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 3h44_1_B DATA FIRST_RESID 43 DATA SEQUENCE NNPAIKRIGN HITKSPEDKR EYRGLELANG IKVLLISDPT TDKSSAALDV DATA SEQUENCE HIGSLSDPPN IAGLSHFLQH MLFLGTKKYP KENEYSQFLS EHAGSSNAFT DATA SEQUENCE SGEHTNYYFD VSHEHLEGAL DRFAQFFLSP LFDESAKDRE VNAVDSEHEK DATA SEQUENCE NVMNDAWRLF QLEKATGNPK HPFSKFGTGN KYTLETRPNQ EGIDVRQELL DATA SEQUENCE KFHSAYYSSN LMAVVVLGRE SLDDLTNLVV KLFSEVENKN VPLPEFPEHP DATA SEQUENCE FQEEHLKQLY KIVPIKDIRN LYVTFPIPDL QKYYKSNPGH YLGHLIGHEG DATA SEQUENCE PGSLLSELKS KGWVNTLVGG QKEGARGFMF FIINVDLTEE GLLHVEDIIL DATA SEQUENCE HMFQYIQKLR AEGPQEWVFQ ELKDLNAVAF RFKDKERPRG YTSKIAGILH DATA SEQUENCE YYPLEEVLTA EYLLEEFRPD LIEMVLDKLR PENVRVAIVS KSFEGKTDRT DATA SEQUENCE EEWYGTQYKQ EAIPDEVIKK WQNADLNGKF KLPTKNEFIP TNFEILPLEK DATA SEQUENCE EATPYPALIK DTAMSKLWFK QDDKFFLPKA NLNFEFFSPF AYVDPLHSNM DATA SEQUENCE AYLYLELLKD SLNEYAYAAE LAGLSYDLQN TIYGMYLSVK GYNDKQPILL DATA SEQUENCE KKIIEKMATF EIDEKRFEII KEAYMRSLNN FRAEQPHQHA MYYLRLLMTE DATA SEQUENCE VAWTKDELKE ALDDVTLPRL KAFIPQLLSR LHIEALLHGN ITKQAALGIM DATA SEQUENCE QMVEDTLIEH AHTKPLLPSQ LVRYREVQLP DRGWFVYQQR NEVHNNSGIE DATA SEQUENCE IYYQTDMQST SENMFLELFA QIISEPAFNT LRTKEQLGYI VFSGPRRANG DATA SEQUENCE IQGLRFIIQS EKPPHYLESR VEAFLITMEK SIEDMTEEAF QKHIQALAIR DATA SEQUENCE RLDKPKKLSA ESAKYWGEII SQQYNFDRDN TEVAYLKTLT KEDIIKFYKE DATA SEQUENCE MLAVDAPRRH KVSVHVLARE MDXXXXXXXX XXXXXXNLSQ APALPQPEVI DATA SEQUENCE QNMTEFKRGL PLFPLVKPH 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 43 N HA 0.000 nan 4.740 nan 0.000 0.220 43 N C 0.000 175.515 175.510 0.009 0.000 1.280 43 N CA 0.000 53.055 53.050 0.009 0.000 0.885 43 N CB 0.000 38.492 38.487 0.008 0.000 1.341 44 N N 1.261 119.967 118.700 0.010 0.000 2.342 44 N HA 0.484 5.225 4.740 0.001 0.000 0.293 44 N C -2.004 173.512 175.510 0.010 0.000 1.026 44 N CA -1.944 51.112 53.050 0.011 0.000 0.857 44 N CB 1.800 40.295 38.487 0.014 0.000 1.256 44 N HN 0.418 nan 8.380 nan 0.000 0.484 45 P HA 0.114 nan 4.420 nan 0.000 0.245 45 P C 0.262 177.568 177.300 0.010 0.000 1.212 45 P CA 0.256 63.361 63.100 0.008 0.000 0.774 45 P CB 0.208 31.912 31.700 0.007 0.000 0.999 46 A N -0.177 122.651 122.820 0.014 0.000 2.251 46 A HA 0.220 4.541 4.320 0.001 0.000 0.209 46 A C 0.994 178.589 177.584 0.019 0.000 1.187 46 A CA 0.182 52.230 52.037 0.019 0.000 0.823 46 A CB -0.502 18.512 19.000 0.024 0.000 0.846 46 A HN 0.190 nan 8.150 nan 0.000 0.486 47 I N -0.321 120.258 120.570 0.014 0.000 2.563 47 I HA 0.142 4.312 4.170 0.001 0.000 0.276 47 I C 1.032 177.152 176.117 0.005 0.000 1.074 47 I CA -0.404 60.902 61.300 0.010 0.000 1.124 47 I CB 1.512 39.519 38.000 0.011 0.000 1.225 47 I HN 0.085 nan 8.210 nan 0.000 0.482 48 K N 4.500 124.901 120.400 0.002 0.000 2.286 48 K HA -0.033 4.287 4.320 0.001 0.000 0.203 48 K C 0.572 177.172 176.600 -0.001 0.000 1.045 48 K CA 1.365 57.651 56.287 -0.001 0.000 0.935 48 K CB 0.307 32.805 32.500 -0.004 0.000 0.737 48 K HN 0.587 nan 8.250 nan 0.000 0.460 49 R N -0.593 119.906 120.500 -0.001 0.000 2.858 49 R HA 0.232 4.572 4.340 0.001 0.000 0.252 49 R C -1.729 174.571 176.300 0.000 0.000 1.063 49 R CA -0.509 55.591 56.100 0.000 0.000 0.955 49 R CB 0.734 31.033 30.300 -0.001 0.000 1.259 49 R HN -0.040 nan 8.270 nan 0.000 0.477 50 I N 1.637 122.210 120.570 0.005 0.000 2.648 50 I HA 0.550 4.720 4.170 0.001 0.000 0.304 50 I C 0.677 176.801 176.117 0.011 0.000 1.009 50 I CA -0.889 60.415 61.300 0.007 0.000 1.114 50 I CB 2.169 40.176 38.000 0.012 0.000 1.293 50 I HN 0.736 nan 8.210 nan 0.000 0.449 51 G N 2.275 111.082 108.800 0.012 0.000 2.400 51 G HA2 0.308 4.268 3.960 0.001 0.000 0.333 51 G HA3 0.308 4.268 3.960 0.001 0.000 0.333 51 G C -0.193 174.726 174.900 0.031 0.000 1.143 51 G CA -0.482 44.628 45.100 0.016 0.000 0.914 51 G HN 0.749 nan 8.290 nan 0.000 0.480 52 N N -0.498 118.228 118.700 0.043 0.000 2.182 52 N HA 0.027 4.767 4.740 0.001 0.000 0.186 52 N C 0.509 176.101 175.510 0.136 0.000 1.036 52 N CA 0.710 53.803 53.050 0.072 0.000 0.850 52 N CB 0.083 38.613 38.487 0.071 0.000 1.010 52 N HN 0.543 nan 8.380 nan 0.000 0.432 53 H N -0.358 118.725 119.070 0.022 0.000 2.806 53 H HA 0.298 4.854 4.556 0.001 0.000 0.367 53 H C -1.227 174.113 175.328 0.020 0.000 1.136 53 H CA -0.807 55.258 56.048 0.028 0.000 1.178 53 H CB 1.389 31.166 29.762 0.024 0.000 1.718 53 H HN -0.104 nan 8.280 nan 0.000 0.540 54 I N 4.110 124.503 120.570 -0.296 0.000 2.312 54 I HA 0.045 4.215 4.170 0.001 0.000 0.291 54 I C 0.688 176.599 176.117 -0.343 0.000 1.031 54 I CA -0.386 60.763 61.300 -0.251 0.000 1.293 54 I CB 0.511 38.377 38.000 -0.223 0.000 1.403 54 I HN 0.514 nan 8.210 nan 0.000 0.484 55 T N 8.020 122.506 114.554 -0.113 0.000 2.792 55 T HA 0.134 4.485 4.350 0.001 0.000 0.286 55 T C 0.506 175.183 174.700 -0.038 0.000 0.970 55 T CA -0.004 62.103 62.100 0.011 0.000 1.187 55 T CB -0.111 68.773 68.868 0.027 0.000 0.915 55 T HN 0.605 nan 8.240 nan 0.000 0.529 56 K N 1.180 121.582 120.400 0.004 0.000 2.352 56 K HA 0.714 5.034 4.320 0.001 0.000 0.240 56 K C 0.016 176.626 176.600 0.017 0.000 1.017 56 K CA -1.042 55.236 56.287 -0.016 0.000 0.851 56 K CB 1.123 33.551 32.500 -0.120 0.000 1.261 56 K HN 0.293 nan 8.250 nan 0.000 0.451 57 S N 0.895 116.429 115.700 -0.277 0.000 2.549 57 S HA 0.079 4.550 4.470 0.001 0.000 0.286 57 S C -1.387 173.058 174.600 -0.259 0.000 1.314 57 S CA -1.002 56.843 58.200 -0.591 0.000 1.062 57 S CB 0.189 62.813 63.200 -0.960 0.000 0.865 57 S HN 0.562 nan 8.310 nan 0.000 0.498 58 P HA -0.135 nan 4.420 nan 0.000 0.217 58 P C 0.791 178.028 177.300 -0.105 0.000 1.151 58 P CA 1.350 64.371 63.100 -0.131 0.000 0.849 58 P CB 0.028 31.628 31.700 -0.167 0.000 0.787 59 E N -0.821 119.286 120.200 -0.156 0.000 2.502 59 E HA -0.033 4.318 4.350 0.001 0.000 0.194 59 E C 0.174 176.753 176.600 -0.035 0.000 1.062 59 E CA 0.274 56.636 56.400 -0.063 0.000 0.867 59 E CB -0.324 29.359 29.700 -0.028 0.000 0.888 59 E HN 0.267 nan 8.360 nan 0.000 0.510 60 D N 1.035 121.400 120.400 -0.058 0.000 2.339 60 D HA 0.058 4.699 4.640 0.001 0.000 0.241 60 D C 0.590 176.920 176.300 0.049 0.000 1.183 60 D CA -0.091 53.908 54.000 -0.002 0.000 0.859 60 D CB 1.013 41.823 40.800 0.017 0.000 1.067 60 D HN -0.298 nan 8.370 nan 0.000 0.484 61 K N 1.962 122.384 120.400 0.037 0.000 2.418 61 K HA 0.139 4.460 4.320 0.001 0.000 0.195 61 K C 0.520 177.121 176.600 0.000 0.000 1.035 61 K CA 0.169 56.471 56.287 0.025 0.000 1.003 61 K CB 0.237 32.749 32.500 0.020 0.000 0.793 61 K HN 0.318 nan 8.250 nan 0.000 0.494 62 R N 0.467 120.959 120.500 -0.013 0.000 2.679 62 R HA 0.147 4.488 4.340 0.001 0.000 0.269 62 R C -0.331 175.840 176.300 -0.215 0.000 1.076 62 R CA -0.064 55.948 56.100 -0.147 0.000 1.160 62 R CB 0.550 30.711 30.300 -0.231 0.000 1.054 62 R HN -0.041 nan 8.270 nan 0.000 0.507 63 E N 0.807 120.800 120.200 -0.345 0.000 2.195 63 E HA 0.302 4.652 4.350 0.001 0.000 0.271 63 E C -1.628 174.723 176.600 -0.414 0.000 0.923 63 E CA -0.475 55.789 56.400 -0.226 0.000 0.790 63 E CB 0.974 30.612 29.700 -0.103 0.000 1.155 63 E HN 0.319 nan 8.360 nan 0.000 0.402 64 Y N 1.839 122.106 120.300 -0.056 0.000 2.425 64 Y HA 0.525 5.075 4.550 0.001 0.000 0.344 64 Y C -0.211 175.642 175.900 -0.078 0.000 0.969 64 Y CA -0.906 57.148 58.100 -0.077 0.000 1.052 64 Y CB 2.046 40.440 38.460 -0.111 0.000 1.215 64 Y HN 0.305 nan 8.280 nan 0.000 0.451 65 R N 1.662 122.211 120.500 0.082 0.000 2.515 65 R HA 0.623 4.964 4.340 0.001 0.000 0.291 65 R C -0.882 175.431 176.300 0.022 0.000 1.046 65 R CA -0.569 55.554 56.100 0.039 0.000 0.914 65 R CB 1.403 31.715 30.300 0.021 0.000 1.191 65 R HN 0.924 nan 8.270 nan 0.000 0.435 66 G N 4.332 113.137 108.800 0.009 0.000 2.437 66 G HA2 0.642 4.603 3.960 0.001 0.000 0.319 66 G HA3 0.642 4.603 3.960 0.001 0.000 0.319 66 G C -0.844 174.047 174.900 -0.015 0.000 1.158 66 G CA -0.503 44.589 45.100 -0.013 0.000 0.899 66 G HN 0.448 nan 8.290 nan 0.000 0.502 67 L N -1.569 119.637 121.223 -0.029 0.000 2.582 67 L HA 0.674 5.014 4.340 0.001 0.000 0.257 67 L C -1.203 175.645 176.870 -0.036 0.000 0.974 67 L CA -1.026 53.799 54.840 -0.024 0.000 0.851 67 L CB 1.692 43.743 42.059 -0.014 0.000 1.424 67 L HN 0.644 nan 8.230 nan 0.000 0.412 68 E N 1.998 122.182 120.200 -0.027 0.000 2.109 68 E HA 0.514 4.865 4.350 0.001 0.000 0.278 68 E C -0.734 175.855 176.600 -0.020 0.000 0.954 68 E CA -0.668 55.713 56.400 -0.031 0.000 0.779 68 E CB 1.453 31.137 29.700 -0.028 0.000 1.093 68 E HN 0.650 nan 8.360 nan 0.000 0.401 69 L N 2.913 124.123 121.223 -0.021 0.000 2.476 69 L HA 0.061 4.402 4.340 0.001 0.000 0.264 69 L C 1.615 178.485 176.870 0.001 0.000 1.224 69 L CA 0.163 55.002 54.840 -0.003 0.000 0.821 69 L CB 0.602 42.666 42.059 0.007 0.000 1.101 69 L HN 0.770 nan 8.230 nan 0.000 0.488 70 A N 1.776 124.602 122.820 0.010 0.000 1.908 70 A HA -0.200 4.120 4.320 0.001 0.000 0.218 70 A C 1.572 179.161 177.584 0.007 0.000 1.181 70 A CA 1.867 53.909 52.037 0.008 0.000 0.627 70 A CB -0.723 18.284 19.000 0.013 0.000 0.818 70 A HN 0.935 nan 8.150 nan 0.000 0.445 71 N N -0.870 117.838 118.700 0.014 0.000 2.515 71 N HA 0.230 4.970 4.740 0.001 0.000 0.191 71 N C 0.981 176.493 175.510 0.003 0.000 1.182 71 N CA 1.333 54.391 53.050 0.013 0.000 0.879 71 N CB -0.341 38.163 38.487 0.028 0.000 0.984 71 N HN 0.851 nan 8.380 nan 0.000 0.453 72 G N -0.232 108.564 108.800 -0.006 0.000 2.213 72 G HA2 -0.248 3.713 3.960 0.001 0.000 0.236 72 G HA3 -0.248 3.713 3.960 0.001 0.000 0.236 72 G C -0.049 174.834 174.900 -0.028 0.000 0.991 72 G CA -0.031 45.059 45.100 -0.016 0.000 0.629 72 G HN 0.376 nan 8.290 nan 0.000 0.517 73 I N 1.664 122.215 120.570 -0.031 0.000 2.668 73 I HA 0.134 4.305 4.170 0.001 0.000 0.285 73 I C 0.715 176.780 176.117 -0.085 0.000 1.168 73 I CA 0.258 61.521 61.300 -0.062 0.000 1.424 73 I CB 0.587 38.546 38.000 -0.067 0.000 1.377 73 I HN 0.041 nan 8.210 nan 0.000 0.560 74 K N 5.146 125.474 120.400 -0.119 0.000 2.218 74 K HA 0.504 4.825 4.320 0.001 0.000 0.276 74 K C -0.885 175.621 176.600 -0.156 0.000 1.022 74 K CA -0.266 55.942 56.287 -0.132 0.000 0.946 74 K CB 1.222 33.624 32.500 -0.164 0.000 1.000 74 K HN 0.302 nan 8.250 nan 0.000 0.468 75 V N 3.264 123.102 119.914 -0.127 0.000 2.789 75 V HA 0.437 4.557 4.120 0.001 0.000 0.311 75 V C -0.984 175.050 176.094 -0.101 0.000 1.073 75 V CA -1.018 61.200 62.300 -0.137 0.000 0.921 75 V CB 1.929 33.675 31.823 -0.129 0.000 1.009 75 V HN 0.581 nan 8.190 nan 0.000 0.426 76 L N 4.557 125.717 121.223 -0.104 0.000 2.385 76 L HA 0.676 5.017 4.340 0.001 0.000 0.273 76 L C -1.460 175.374 176.870 -0.060 0.000 0.990 76 L CA -0.590 54.213 54.840 -0.062 0.000 0.821 76 L CB 1.955 43.976 42.059 -0.064 0.000 1.279 76 L HN 0.589 nan 8.230 nan 0.000 0.412 77 L N 5.417 126.624 121.223 -0.027 0.000 2.346 77 L HA 0.579 4.919 4.340 0.001 0.000 0.276 77 L C -0.755 176.075 176.870 -0.067 0.000 1.006 77 L CA -0.505 54.306 54.840 -0.047 0.000 0.817 77 L CB 2.325 44.361 42.059 -0.038 0.000 1.272 77 L HN 0.471 nan 8.230 nan 0.000 0.421 78 I N 1.760 122.255 120.570 -0.125 0.000 2.410 78 I HA 0.243 4.414 4.170 0.001 0.000 0.286 78 I C -0.189 175.802 176.117 -0.210 0.000 1.009 78 I CA -0.169 60.972 61.300 -0.265 0.000 1.111 78 I CB 2.038 39.911 38.000 -0.211 0.000 1.262 78 I HN 0.475 nan 8.210 nan 0.000 0.443 79 S N 4.938 120.489 115.700 -0.249 0.000 2.420 79 S HA 0.254 4.724 4.470 0.001 0.000 0.313 79 S C -0.728 173.774 174.600 -0.165 0.000 1.079 79 S CA -0.472 57.632 58.200 -0.159 0.000 1.104 79 S CB 0.281 63.412 63.200 -0.114 0.000 0.969 79 S HN 0.582 nan 8.310 nan 0.000 0.471 80 D N 5.947 126.274 120.400 -0.122 0.000 2.438 80 D HA 0.369 5.009 4.640 0.001 0.000 0.257 80 D C -1.948 174.297 176.300 -0.091 0.000 1.148 80 D CA -2.118 51.820 54.000 -0.102 0.000 0.902 80 D CB 1.733 42.481 40.800 -0.086 0.000 1.062 80 D HN 0.201 nan 8.370 nan 0.000 0.518 81 P HA -0.122 nan 4.420 nan 0.000 0.217 81 P C 0.885 178.117 177.300 -0.114 0.000 1.148 81 P CA 1.458 64.509 63.100 -0.083 0.000 0.834 81 P CB 0.215 31.879 31.700 -0.061 0.000 0.783 82 T N -6.505 107.984 114.554 -0.107 0.000 3.214 82 T HA 0.149 4.499 4.350 0.001 0.000 0.264 82 T C 0.486 175.101 174.700 -0.142 0.000 1.012 82 T CA -0.341 61.681 62.100 -0.129 0.000 0.901 82 T CB -0.835 67.983 68.868 -0.084 0.000 1.070 82 T HN -0.089 nan 8.240 nan 0.000 0.561 83 T N 2.847 117.313 114.554 -0.146 0.000 2.851 83 T HA 0.210 4.560 4.350 0.001 0.000 0.298 83 T C 0.558 175.158 174.700 -0.167 0.000 0.977 83 T CA -0.382 61.653 62.100 -0.109 0.000 1.126 83 T CB 0.496 69.328 68.868 -0.060 0.000 0.916 83 T HN 0.426 nan 8.240 nan 0.000 0.529 84 D N 3.053 123.415 120.400 -0.064 0.000 2.349 84 D HA 0.150 4.790 4.640 0.001 0.000 0.214 84 D C 0.078 176.488 176.300 0.183 0.000 1.063 84 D CA 0.163 54.205 54.000 0.071 0.000 0.847 84 D CB 0.299 41.156 40.800 0.095 0.000 0.933 84 D HN 0.224 nan 8.370 nan 0.000 0.513 85 K N 0.488 120.948 120.400 0.100 0.000 2.376 85 K HA 0.491 4.811 4.320 0.001 0.000 0.257 85 K C -0.646 176.000 176.600 0.077 0.000 0.939 85 K CA -0.540 55.809 56.287 0.102 0.000 0.809 85 K CB 2.387 34.928 32.500 0.069 0.000 1.121 85 K HN -0.115 nan 8.250 nan 0.000 0.425 86 S N 0.730 116.489 115.700 0.099 0.000 2.654 86 S HA 0.593 5.063 4.470 0.001 0.000 0.283 86 S C -0.181 174.390 174.600 -0.049 0.000 1.180 86 S CA -0.549 57.677 58.200 0.044 0.000 1.021 86 S CB 1.312 64.567 63.200 0.093 0.000 1.018 86 S HN 0.719 nan 8.310 nan 0.000 0.532 87 S N 0.195 115.786 115.700 -0.182 0.000 2.588 87 S HA 0.865 5.335 4.470 0.001 0.000 0.269 87 S C -1.288 172.956 174.600 -0.593 0.000 1.157 87 S CA -0.633 57.261 58.200 -0.511 0.000 0.824 87 S CB 1.360 64.361 63.200 -0.331 0.000 1.126 87 S HN 1.111 nan 8.310 nan 0.000 0.464 88 A N 0.602 122.788 122.820 -1.057 0.000 2.556 88 A HA 1.027 5.348 4.320 0.001 0.000 0.294 88 A C -0.485 176.799 177.584 -0.500 0.000 1.091 88 A CA -0.467 51.197 52.037 -0.622 0.000 0.704 88 A CB 1.197 19.933 19.000 -0.440 0.000 1.300 88 A HN 2.146 nan 8.150 nan 0.000 0.406 89 A N 0.221 122.930 122.820 -0.184 0.000 2.515 89 A HA 0.855 5.176 4.320 0.001 0.000 0.296 89 A C -1.464 176.236 177.584 0.193 0.000 1.094 89 A CA -0.464 51.642 52.037 0.116 0.000 0.718 89 A CB 1.393 20.507 19.000 0.189 0.000 1.307 89 A HN 1.765 nan 8.150 nan 0.000 0.408 90 L N 0.902 122.401 121.223 0.459 0.000 2.408 90 L HA 0.597 4.937 4.340 0.001 0.000 0.268 90 L C -1.611 175.429 176.870 0.284 0.000 0.986 90 L CA -0.491 54.481 54.840 0.221 0.000 0.820 90 L CB 1.910 43.959 42.059 -0.017 0.000 1.303 90 L HN 0.820 nan 8.230 nan 0.000 0.411 91 D N 3.983 124.487 120.400 0.173 0.000 2.492 91 D HA 0.325 4.965 4.640 0.001 0.000 0.248 91 D C -1.282 175.158 176.300 0.234 0.000 1.101 91 D CA -0.296 53.852 54.000 0.247 0.000 0.840 91 D CB 2.435 43.409 40.800 0.290 0.000 1.209 91 D HN 0.266 nan 8.370 nan 0.000 0.524 92 V N 4.164 124.143 119.914 0.109 0.000 2.432 92 V HA 0.089 4.210 4.120 0.001 0.000 0.275 92 V C 0.821 176.810 176.094 -0.175 0.000 1.043 92 V CA -0.511 61.736 62.300 -0.088 0.000 0.925 92 V CB 1.107 32.691 31.823 -0.399 0.000 0.985 92 V HN 0.598 nan 8.190 nan 0.000 0.466 93 H N 5.044 123.864 119.070 -0.417 0.000 3.332 93 H HA 0.334 4.890 4.556 0.001 0.000 0.235 93 H C -0.307 174.759 175.328 -0.437 0.000 1.633 93 H CA -0.170 55.449 56.048 -0.715 0.000 1.288 93 H CB -0.174 29.060 29.762 -0.881 0.000 1.547 93 H HN 0.339 nan 8.280 nan 0.000 0.622 94 I N 0.284 120.762 120.570 -0.152 0.000 2.802 94 I HA 0.439 4.609 4.170 0.001 0.000 0.298 94 I C 0.496 176.645 176.117 0.053 0.000 1.176 94 I CA -0.339 60.925 61.300 -0.060 0.000 1.025 94 I CB 2.065 39.997 38.000 -0.113 0.000 1.243 94 I HN 0.485 nan 8.210 nan 0.000 0.424 95 G N 1.899 110.768 108.800 0.116 0.000 2.634 95 G HA2 0.350 4.311 3.960 0.001 0.000 0.309 95 G HA3 0.350 4.311 3.960 0.001 0.000 0.309 95 G C 0.333 175.336 174.900 0.172 0.000 1.299 95 G CA 0.352 45.559 45.100 0.178 0.000 0.798 95 G HN 0.499 nan 8.290 nan 0.000 0.490 96 S N -0.557 115.227 115.700 0.140 0.000 2.474 96 S HA -0.054 4.417 4.470 0.001 0.000 0.235 96 S C 2.177 176.831 174.600 0.090 0.000 0.997 96 S CA 0.785 59.035 58.200 0.083 0.000 0.949 96 S CB -0.135 63.088 63.200 0.038 0.000 0.766 96 S HN 0.291 nan 8.310 nan 0.000 0.517 97 L N 2.016 123.307 121.223 0.114 0.000 2.261 97 L HA 0.061 4.401 4.340 0.001 0.000 0.216 97 L C 2.004 179.000 176.870 0.210 0.000 1.114 97 L CA 1.149 56.063 54.840 0.123 0.000 0.777 97 L CB -1.033 41.039 42.059 0.022 0.000 0.910 97 L HN 0.286 nan 8.230 nan 0.000 0.440 98 S N -1.418 114.392 115.700 0.182 0.000 2.577 98 S HA 0.081 4.551 4.470 0.001 0.000 0.219 98 S C 0.206 174.946 174.600 0.234 0.000 0.962 98 S CA -0.498 57.795 58.200 0.156 0.000 0.921 98 S CB -0.255 62.888 63.200 -0.094 0.000 0.789 98 S HN 0.314 nan 8.310 nan 0.000 0.497 99 D N 3.667 124.157 120.400 0.151 0.000 2.455 99 D HA 0.171 4.812 4.640 0.001 0.000 0.241 99 D C -2.509 173.867 176.300 0.126 0.000 1.138 99 D CA -1.457 52.582 54.000 0.064 0.000 0.877 99 D CB 0.415 41.199 40.800 -0.028 0.000 1.187 99 D HN 0.053 nan 8.370 nan 0.000 0.451 100 P HA 0.002 nan 4.420 nan 0.000 0.261 100 P C -1.848 175.513 177.300 0.102 0.000 1.183 100 P CA -0.804 62.379 63.100 0.138 0.000 0.761 100 P CB 0.207 31.975 31.700 0.113 0.000 0.785 101 P HA -0.228 nan 4.420 nan 0.000 0.218 101 P C 0.671 178.038 177.300 0.112 0.000 1.147 101 P CA 1.811 64.982 63.100 0.117 0.000 0.827 101 P CB -0.325 31.444 31.700 0.115 0.000 0.778 102 N N -2.247 116.507 118.700 0.089 0.000 2.184 102 N HA 0.069 4.810 4.740 0.001 0.000 0.206 102 N C -0.162 175.377 175.510 0.047 0.000 1.151 102 N CA -0.129 52.968 53.050 0.077 0.000 0.878 102 N CB 0.358 38.883 38.487 0.063 0.000 1.014 102 N HN -0.110 nan 8.380 nan 0.000 0.512 103 I N 1.341 121.930 120.570 0.031 0.000 2.595 103 I HA 0.399 4.569 4.170 0.001 0.000 0.275 103 I C -0.100 175.993 176.117 -0.041 0.000 1.092 103 I CA -1.457 59.836 61.300 -0.012 0.000 1.145 103 I CB 0.115 38.098 38.000 -0.029 0.000 1.276 103 I HN 0.041 nan 8.210 nan 0.000 0.497 104 A N 3.239 126.037 122.820 -0.036 0.000 2.488 104 A HA 0.549 4.869 4.320 0.001 0.000 0.249 104 A C 1.325 178.758 177.584 -0.252 0.000 1.083 104 A CA 0.880 52.840 52.037 -0.129 0.000 0.768 104 A CB -0.017 18.909 19.000 -0.124 0.000 1.017 104 A HN 1.446 nan 8.150 nan 0.000 0.496 105 G N 1.131 109.761 108.800 -0.282 0.000 2.179 105 G HA2 -0.168 3.792 3.960 0.001 0.000 0.220 105 G HA3 -0.168 3.792 3.960 0.001 0.000 0.220 105 G C 0.682 175.500 174.900 -0.137 0.000 0.990 105 G CA 0.437 45.369 45.100 -0.280 0.000 0.646 105 G HN 1.104 nan 8.290 nan 0.000 0.517 106 L N 2.250 123.368 121.223 -0.174 0.000 1.989 106 L HA -0.016 4.325 4.340 0.001 0.000 0.211 106 L C 3.031 179.736 176.870 -0.275 0.000 1.071 106 L CA 3.490 58.196 54.840 -0.223 0.000 0.749 106 L CB -0.793 41.030 42.059 -0.394 0.000 0.890 106 L HN 0.685 nan 8.230 nan 0.000 0.431 107 S N -2.286 113.197 115.700 -0.361 0.000 2.383 107 S HA -0.269 4.201 4.470 0.001 0.000 0.227 107 S C 2.082 176.774 174.600 0.152 0.000 1.026 107 S CA 1.167 59.287 58.200 -0.133 0.000 0.981 107 S CB -1.098 62.118 63.200 0.026 0.000 0.818 107 S HN 0.692 nan 8.310 nan 0.000 0.472 108 H N 0.116 119.216 119.070 0.050 0.000 2.319 108 H HA -0.139 4.417 4.556 0.001 0.000 0.299 108 H C 2.052 177.551 175.328 0.285 0.000 1.092 108 H CA 1.726 57.862 56.048 0.148 0.000 1.302 108 H CB -0.305 29.480 29.762 0.039 0.000 1.373 108 H HN 0.428 nan 8.280 nan 0.000 0.497 109 F N 1.608 121.473 119.950 -0.143 0.000 2.126 109 F HA -0.202 4.325 4.527 0.001 0.000 0.299 109 F C 2.550 178.351 175.800 0.001 0.000 1.096 109 F CA 1.312 59.196 58.000 -0.193 0.000 1.255 109 F CB -1.071 37.807 39.000 -0.202 0.000 0.997 109 F HN 0.219 nan 8.300 nan 0.000 0.479 110 L N 0.185 121.427 121.223 0.032 0.000 2.012 110 L HA -0.273 4.068 4.340 0.001 0.000 0.210 110 L C 2.696 179.690 176.870 0.208 0.000 1.073 110 L CA 2.055 56.926 54.840 0.052 0.000 0.748 110 L CB -0.799 41.300 42.059 0.067 0.000 0.891 110 L HN 0.286 nan 8.230 nan 0.000 0.431 111 Q N -0.791 119.200 119.800 0.317 0.000 2.112 111 Q HA -0.305 4.036 4.340 0.001 0.000 0.206 111 Q C 2.069 178.319 176.000 0.417 0.000 0.987 111 Q CA 2.158 58.210 55.803 0.416 0.000 0.858 111 Q CB -0.390 28.545 28.738 0.328 0.000 0.905 111 Q HN 0.697 nan 8.270 nan 0.000 0.420 112 H N -0.736 118.463 119.070 0.216 0.000 2.353 112 H HA -0.111 4.445 4.556 0.001 0.000 0.300 112 H C 2.206 177.664 175.328 0.217 0.000 1.090 112 H CA 1.534 57.717 56.048 0.225 0.000 1.327 112 H CB 0.143 29.986 29.762 0.137 0.000 1.383 112 H HN 0.328 nan 8.280 nan 0.000 0.508 113 M N 0.529 120.233 119.600 0.173 0.000 2.175 113 M HA -0.108 4.372 4.480 0.001 0.000 0.264 113 M C 2.441 178.588 176.300 -0.256 0.000 1.063 113 M CA 0.846 56.131 55.300 -0.026 0.000 1.119 113 M CB -0.834 31.739 32.600 -0.045 0.000 1.377 113 M HN 0.244 nan 8.290 nan 0.000 0.415 114 L N -1.288 119.720 121.223 -0.358 0.000 2.447 114 L HA -0.194 4.146 4.340 0.001 0.000 0.225 114 L C 2.019 178.014 176.870 -1.459 0.000 1.148 114 L CA 0.950 55.240 54.840 -0.916 0.000 0.808 114 L CB -0.825 40.700 42.059 -0.890 0.000 0.928 114 L HN 0.159 nan 8.230 nan 0.000 0.448 115 F N -0.288 119.202 119.950 -0.765 0.000 2.367 115 F HA -0.039 4.488 4.527 0.001 0.000 0.298 115 F C 1.772 177.334 175.800 -0.396 0.000 1.094 115 F CA 0.610 58.233 58.000 -0.628 0.000 1.409 115 F CB -0.043 38.874 39.000 -0.137 0.000 1.064 115 F HN -0.038 nan 8.300 nan 0.000 0.528 116 L N -0.039 121.074 121.223 -0.184 0.000 2.737 116 L HA 0.415 4.756 4.340 0.001 0.000 0.236 116 L C 0.406 177.184 176.870 -0.153 0.000 1.219 116 L CA -0.117 54.673 54.840 -0.084 0.000 1.021 116 L CB -0.879 41.164 42.059 -0.026 0.000 1.291 116 L HN 0.164 nan 8.230 nan 0.000 0.470 117 G N -0.266 108.384 108.800 -0.249 0.000 2.535 117 G HA2 0.114 4.074 3.960 0.001 0.000 0.662 117 G HA3 0.114 4.074 3.960 0.001 0.000 0.662 117 G C -0.546 174.188 174.900 -0.278 0.000 1.417 117 G CA -0.421 44.569 45.100 -0.184 0.000 0.866 117 G HN 0.084 nan 8.290 nan 0.000 0.647 118 T N -1.117 113.338 114.554 -0.165 0.000 2.742 118 T HA 0.743 5.093 4.350 0.001 0.000 0.282 118 T C 1.216 175.832 174.700 -0.140 0.000 1.025 118 T CA -0.064 61.922 62.100 -0.189 0.000 1.020 118 T CB 1.981 70.784 68.868 -0.108 0.000 1.317 118 T HN 0.573 nan 8.240 nan 0.000 0.538 119 K N 0.866 121.173 120.400 -0.154 0.000 2.002 119 K HA -0.007 4.314 4.320 0.001 0.000 0.209 119 K C 2.142 178.635 176.600 -0.178 0.000 1.048 119 K CA 1.906 58.105 56.287 -0.146 0.000 0.930 119 K CB -0.317 32.103 32.500 -0.134 0.000 0.714 119 K HN 0.747 nan 8.250 nan 0.000 0.438 120 K N -1.603 118.643 120.400 -0.255 0.000 2.379 120 K HA -0.027 4.294 4.320 0.001 0.000 0.194 120 K C -0.173 176.017 176.600 -0.683 0.000 1.031 120 K CA 0.565 56.574 56.287 -0.462 0.000 1.037 120 K CB 0.231 32.389 32.500 -0.569 0.000 0.824 120 K HN 0.084 nan 8.250 nan 0.000 0.516 121 Y N 1.723 121.982 120.300 -0.068 0.000 2.638 121 Y HA 0.288 4.838 4.550 0.001 0.000 0.367 121 Y C -1.978 173.891 175.900 -0.052 0.000 1.001 121 Y CA -2.238 55.833 58.100 -0.048 0.000 1.133 121 Y CB 1.478 39.921 38.460 -0.029 0.000 1.199 121 Y HN 0.066 nan 8.280 nan 0.000 0.642 122 P HA -0.111 nan 4.420 nan 0.000 0.241 122 P C 0.172 177.483 177.300 0.017 0.000 1.191 122 P CA 0.487 63.579 63.100 -0.013 0.000 0.771 122 P CB 0.327 32.002 31.700 -0.042 0.000 0.929 123 K N 1.658 122.095 120.400 0.062 0.000 2.402 123 K HA -0.042 4.278 4.320 0.001 0.000 0.285 123 K C 1.384 178.027 176.600 0.072 0.000 1.054 123 K CA -0.011 56.316 56.287 0.068 0.000 1.001 123 K CB 0.144 32.698 32.500 0.091 0.000 0.946 123 K HN -0.087 nan 8.250 nan 0.000 0.473 124 E N 3.430 123.662 120.200 0.052 0.000 2.114 124 E HA -0.306 4.045 4.350 0.001 0.000 0.199 124 E C 0.588 177.243 176.600 0.091 0.000 1.008 124 E CA 2.098 58.527 56.400 0.049 0.000 0.810 124 E CB 0.047 29.775 29.700 0.046 0.000 0.739 124 E HN 0.856 nan 8.360 nan 0.000 0.456 125 N N -0.902 117.867 118.700 0.115 0.000 2.234 125 N HA -0.011 4.729 4.740 0.001 0.000 0.227 125 N C 1.175 176.782 175.510 0.161 0.000 1.151 125 N CA 0.066 53.209 53.050 0.154 0.000 0.865 125 N CB 0.467 39.043 38.487 0.148 0.000 1.066 125 N HN -0.045 nan 8.380 nan 0.000 0.515 126 E N 1.048 121.339 120.200 0.152 0.000 2.070 126 E HA -0.309 4.041 4.350 0.001 0.000 0.197 126 E C 1.274 177.970 176.600 0.161 0.000 1.004 126 E CA 1.625 58.109 56.400 0.140 0.000 0.805 126 E CB -0.435 29.346 29.700 0.135 0.000 0.744 126 E HN 0.640 nan 8.360 nan 0.000 0.451 127 Y N 0.742 121.092 120.300 0.083 0.000 2.049 127 Y HA -0.273 4.278 4.550 0.001 0.000 0.277 127 Y C 2.692 178.706 175.900 0.190 0.000 1.143 127 Y CA 2.841 61.017 58.100 0.127 0.000 1.115 127 Y CB -0.631 37.994 38.460 0.275 0.000 0.975 127 Y HN 0.249 nan 8.280 nan 0.000 0.487 128 S N -0.408 115.411 115.700 0.198 0.000 2.423 128 S HA -0.250 4.220 4.470 0.001 0.000 0.231 128 S C 1.980 176.586 174.600 0.009 0.000 1.014 128 S CA 1.289 59.519 58.200 0.050 0.000 0.965 128 S CB -0.616 62.650 63.200 0.110 0.000 0.785 128 S HN 0.722 nan 8.310 nan 0.000 0.495 129 Q N -0.241 119.600 119.800 0.067 0.000 2.079 129 Q HA -0.095 4.246 4.340 0.001 0.000 0.200 129 Q C 1.873 177.884 176.000 0.019 0.000 0.974 129 Q CA 1.403 57.233 55.803 0.045 0.000 0.840 129 Q CB -0.281 28.502 28.738 0.074 0.000 0.898 129 Q HN 0.639 nan 8.270 nan 0.000 0.430 130 F N 1.044 120.940 119.950 -0.091 0.000 2.046 130 F HA -0.247 4.280 4.527 0.001 0.000 0.297 130 F C 1.765 177.524 175.800 -0.069 0.000 1.123 130 F CA 1.628 59.585 58.000 -0.071 0.000 1.199 130 F CB -0.371 38.554 39.000 -0.126 0.000 0.972 130 F HN 0.051 nan 8.300 nan 0.000 0.474 131 L N -0.807 120.368 121.223 -0.081 0.000 2.127 131 L HA -0.242 4.098 4.340 0.001 0.000 0.211 131 L C 2.718 179.481 176.870 -0.177 0.000 1.089 131 L CA 1.425 56.167 54.840 -0.162 0.000 0.757 131 L CB -1.031 40.938 42.059 -0.151 0.000 0.899 131 L HN 0.217 nan 8.230 nan 0.000 0.434 132 S N -0.153 115.454 115.700 -0.155 0.000 2.356 132 S HA -0.226 4.245 4.470 0.001 0.000 0.223 132 S C 1.850 176.337 174.600 -0.189 0.000 1.032 132 S CA 1.539 59.662 58.200 -0.128 0.000 1.005 132 S CB -0.062 63.096 63.200 -0.070 0.000 0.867 132 S HN 0.426 nan 8.310 nan 0.000 0.449 133 E N -0.892 119.090 120.200 -0.363 0.000 2.347 133 E HA -0.050 4.300 4.350 0.001 0.000 0.196 133 E C 0.349 176.400 176.600 -0.915 0.000 1.008 133 E CA 0.695 56.691 56.400 -0.673 0.000 0.852 133 E CB 0.109 29.282 29.700 -0.878 0.000 0.783 133 E HN 0.661 nan 8.360 nan 0.000 0.505 134 H N -1.629 117.169 119.070 -0.453 0.000 2.510 134 H HA 0.452 5.008 4.556 0.001 0.000 0.266 134 H C 0.113 175.333 175.328 -0.179 0.000 1.146 134 H CA 0.274 56.071 56.048 -0.419 0.000 0.993 134 H CB 1.265 30.540 29.762 -0.812 0.000 1.727 134 H HN 0.130 nan 8.280 nan 0.000 0.590 135 A N 0.069 122.839 122.820 -0.083 0.000 2.899 135 A HA -0.161 4.159 4.320 0.001 0.000 0.257 135 A C 1.211 178.806 177.584 0.018 0.000 1.335 135 A CA 0.784 52.808 52.037 -0.021 0.000 0.924 135 A CB -1.858 17.149 19.000 0.011 0.000 1.105 135 A HN 0.622 nan 8.150 nan 0.000 0.765 136 G N -1.207 107.601 108.800 0.012 0.000 2.511 136 G HA2 0.818 4.779 3.960 0.001 0.000 0.316 136 G HA3 0.818 4.779 3.960 0.001 0.000 0.316 136 G C -0.029 174.903 174.900 0.054 0.000 1.210 136 G CA 0.496 45.643 45.100 0.078 0.000 0.969 136 G HN 1.976 nan 8.290 nan 0.000 0.492 137 S N -1.878 113.892 115.700 0.117 0.000 2.618 137 S HA 0.816 5.287 4.470 0.001 0.000 0.277 137 S C -0.799 173.922 174.600 0.201 0.000 1.138 137 S CA -0.518 57.739 58.200 0.095 0.000 0.844 137 S CB 1.961 65.208 63.200 0.078 0.000 1.127 137 S HN 1.106 nan 8.310 nan 0.000 0.474 138 S N 0.717 116.519 115.700 0.170 0.000 2.579 138 S HA 0.837 5.307 4.470 0.001 0.000 0.272 138 S C -1.581 173.080 174.600 0.103 0.000 1.141 138 S CA -0.504 57.869 58.200 0.288 0.000 0.843 138 S CB 1.551 65.081 63.200 0.550 0.000 1.122 138 S HN 0.926 nan 8.310 nan 0.000 0.468 139 N N -0.072 118.594 118.700 -0.056 0.000 3.356 139 N HA 0.755 5.495 4.740 0.001 0.000 0.246 139 N C -2.010 173.193 175.510 -0.512 0.000 1.480 139 N CA 0.229 53.120 53.050 -0.265 0.000 0.877 139 N CB 1.480 39.911 38.487 -0.094 0.000 1.431 139 N HN 1.011 nan 8.380 nan 0.000 0.500 140 A N 0.046 122.759 122.820 -0.178 0.000 2.612 140 A HA 0.743 5.064 4.320 0.001 0.000 0.293 140 A C -1.901 175.812 177.584 0.215 0.000 1.075 140 A CA -0.618 51.392 52.037 -0.045 0.000 0.680 140 A CB 0.725 19.745 19.000 0.033 0.000 1.279 140 A HN 0.688 nan 8.150 nan 0.000 0.411 141 F N -1.202 118.822 119.950 0.123 0.000 2.613 141 F HA 0.865 5.393 4.527 0.001 0.000 0.310 141 F C -0.582 175.293 175.800 0.125 0.000 1.085 141 F CA -0.678 57.411 58.000 0.149 0.000 0.945 141 F CB 1.851 40.961 39.000 0.183 0.000 1.298 141 F HN 0.363 nan 8.300 nan 0.000 0.455 142 T N 2.048 116.817 114.554 0.358 0.000 2.815 142 T HA 0.556 4.906 4.350 0.001 0.000 0.289 142 T C -0.405 174.490 174.700 0.324 0.000 1.000 142 T CA -0.639 61.624 62.100 0.271 0.000 0.958 142 T CB 1.146 70.172 68.868 0.264 0.000 0.944 142 T HN 0.864 nan 8.240 nan 0.000 0.442 143 S N 2.169 118.082 115.700 0.355 0.000 2.713 143 S HA 0.706 5.176 4.470 0.001 0.000 0.296 143 S C 1.849 176.593 174.600 0.240 0.000 1.114 143 S CA -0.346 58.039 58.200 0.307 0.000 0.997 143 S CB 0.329 63.739 63.200 0.350 0.000 1.249 143 S HN 0.636 nan 8.310 nan 0.000 0.534 144 G N 0.003 108.937 108.800 0.224 0.000 2.446 144 G HA2 -0.086 3.874 3.960 0.001 0.000 0.217 144 G HA3 -0.086 3.874 3.960 0.001 0.000 0.217 144 G C 0.767 175.763 174.900 0.161 0.000 1.168 144 G CA 0.729 45.932 45.100 0.171 0.000 0.771 144 G HN 0.780 nan 8.290 nan 0.000 0.551 145 E N -0.889 119.427 120.200 0.193 0.000 2.630 145 E HA 0.185 4.535 4.350 0.001 0.000 0.218 145 E C -0.546 175.955 176.600 -0.165 0.000 0.977 145 E CA -0.236 56.236 56.400 0.120 0.000 1.038 145 E CB 0.687 30.517 29.700 0.218 0.000 1.051 145 E HN 0.393 nan 8.360 nan 0.000 0.487 146 H N -0.158 118.962 119.070 0.084 0.000 2.894 146 H HA 0.345 4.901 4.556 0.001 0.000 0.367 146 H C -0.862 174.479 175.328 0.022 0.000 1.144 146 H CA -0.382 55.667 56.048 0.003 0.000 1.180 146 H CB 2.430 32.197 29.762 0.009 0.000 1.758 146 H HN -0.123 nan 8.280 nan 0.000 0.541 147 T N 2.459 117.064 114.554 0.085 0.000 2.881 147 T HA 0.218 4.568 4.350 0.001 0.000 0.291 147 T C -0.277 174.403 174.700 -0.034 0.000 0.990 147 T CA -0.772 61.341 62.100 0.021 0.000 0.976 147 T CB 1.190 70.200 68.868 0.236 0.000 0.970 147 T HN 0.529 nan 8.240 nan 0.000 0.438 148 N N 1.858 120.317 118.700 -0.402 0.000 2.314 148 N HA 0.594 5.334 4.740 0.001 0.000 0.294 148 N C -1.818 173.597 175.510 -0.158 0.000 1.029 148 N CA -0.561 52.327 53.050 -0.269 0.000 0.845 148 N CB 1.187 39.200 38.487 -0.790 0.000 1.321 148 N HN 0.468 nan 8.380 nan 0.000 0.481 149 Y N 2.358 122.869 120.300 0.353 0.000 2.425 149 Y HA 0.446 4.997 4.550 0.001 0.000 0.344 149 Y C -0.897 175.396 175.900 0.655 0.000 0.969 149 Y CA -0.737 57.644 58.100 0.469 0.000 1.052 149 Y CB 1.282 40.056 38.460 0.524 0.000 1.215 149 Y HN 0.430 nan 8.280 nan 0.000 0.451 150 Y N 1.099 121.811 120.300 0.686 0.000 2.581 150 Y HA 0.815 5.365 4.550 0.001 0.000 0.337 150 Y C -1.555 174.646 175.900 0.501 0.000 1.108 150 Y CA -2.396 55.961 58.100 0.428 0.000 1.033 150 Y CB 1.450 40.052 38.460 0.235 0.000 1.318 150 Y HN 0.466 nan 8.280 nan 0.000 0.459 151 F N -0.122 120.010 119.950 0.303 0.000 2.643 151 F HA 0.881 5.409 4.527 0.001 0.000 0.314 151 F C -1.732 174.166 175.800 0.163 0.000 1.096 151 F CA -1.001 57.144 58.000 0.242 0.000 0.953 151 F CB 1.979 41.099 39.000 0.199 0.000 1.345 151 F HN 0.591 nan 8.300 nan 0.000 0.468 152 D N 0.489 121.029 120.400 0.233 0.000 2.477 152 D HA 0.747 5.387 4.640 0.001 0.000 0.234 152 D C -1.576 174.928 176.300 0.340 0.000 1.048 152 D CA -1.034 53.048 54.000 0.137 0.000 0.959 152 D CB 2.070 42.909 40.800 0.065 0.000 1.408 152 D HN 0.837 nan 8.370 nan 0.000 0.496 153 V N -0.681 119.392 119.914 0.265 0.000 3.167 153 V HA 0.421 4.541 4.120 0.001 0.000 0.293 153 V C -0.802 175.397 176.094 0.175 0.000 1.379 153 V CA -0.736 61.709 62.300 0.243 0.000 1.019 153 V CB 2.019 34.048 31.823 0.344 0.000 1.115 153 V HN 0.865 nan 8.190 nan 0.000 0.442 154 S N 2.537 118.318 115.700 0.135 0.000 2.626 154 S HA -0.030 4.440 4.470 0.001 0.000 0.303 154 S C 1.345 175.940 174.600 -0.009 0.000 1.256 154 S CA 1.081 59.327 58.200 0.076 0.000 1.069 154 S CB -0.023 63.237 63.200 0.100 0.000 0.807 154 S HN 1.310 nan 8.310 nan 0.000 0.500 155 H N 3.306 122.375 119.070 -0.002 0.000 2.460 155 H HA -0.098 4.458 4.556 0.001 0.000 0.297 155 H C 1.694 176.981 175.328 -0.067 0.000 1.103 155 H CA 1.744 57.782 56.048 -0.017 0.000 1.292 155 H CB -0.071 29.678 29.762 -0.022 0.000 1.376 155 H HN 0.757 nan 8.280 nan 0.000 0.531 156 E N 1.028 120.898 120.200 -0.550 0.000 2.152 156 E HA -0.166 4.184 4.350 0.001 0.000 0.192 156 E C 0.758 177.144 176.600 -0.355 0.000 0.983 156 E CA 0.860 56.980 56.400 -0.466 0.000 0.818 156 E CB -0.349 28.955 29.700 -0.660 0.000 0.758 156 E HN 0.745 nan 8.360 nan 0.000 0.467 157 H N 0.828 119.850 119.070 -0.080 0.000 2.592 157 H HA 0.224 4.780 4.556 0.001 0.000 0.291 157 H C 1.795 177.186 175.328 0.105 0.000 1.052 157 H CA -0.147 55.878 56.048 -0.038 0.000 1.175 157 H CB 0.009 29.630 29.762 -0.235 0.000 1.378 157 H HN 0.155 nan 8.280 nan 0.000 0.576 158 L N 0.624 121.945 121.223 0.164 0.000 1.961 158 L HA -0.235 4.105 4.340 0.001 0.000 0.210 158 L C 2.631 179.611 176.870 0.184 0.000 1.072 158 L CA 1.791 56.760 54.840 0.214 0.000 0.749 158 L CB -0.016 42.138 42.059 0.158 0.000 0.889 158 L HN 0.229 nan 8.230 nan 0.000 0.432 159 E N -0.136 120.138 120.200 0.122 0.000 2.108 159 E HA -0.247 4.104 4.350 0.001 0.000 0.203 159 E C 1.843 178.462 176.600 0.033 0.000 1.022 159 E CA 2.092 58.542 56.400 0.083 0.000 0.823 159 E CB -0.602 29.135 29.700 0.062 0.000 0.744 159 E HN 0.562 nan 8.360 nan 0.000 0.456 160 G N -0.071 108.746 108.800 0.029 0.000 2.414 160 G HA2 -0.182 3.779 3.960 0.001 0.000 0.215 160 G HA3 -0.182 3.779 3.960 0.001 0.000 0.215 160 G C 1.737 176.366 174.900 -0.453 0.000 1.188 160 G CA 1.183 46.170 45.100 -0.187 0.000 0.783 160 G HN 0.488 nan 8.290 nan 0.000 0.537 161 A N 0.388 123.121 122.820 -0.145 0.000 1.877 161 A HA 0.050 4.371 4.320 0.001 0.000 0.216 161 A C 2.356 179.716 177.584 -0.374 0.000 1.186 161 A CA 1.699 53.559 52.037 -0.295 0.000 0.620 161 A CB -0.517 18.396 19.000 -0.145 0.000 0.822 161 A HN 0.421 nan 8.150 nan 0.000 0.443 162 L N 0.291 121.472 121.223 -0.071 0.000 2.131 162 L HA -0.154 4.187 4.340 0.001 0.000 0.210 162 L C 1.852 178.781 176.870 0.099 0.000 1.092 162 L CA 2.626 57.553 54.840 0.145 0.000 0.759 162 L CB -0.749 41.494 42.059 0.307 0.000 0.903 162 L HN 0.496 nan 8.230 nan 0.000 0.435 163 D N -0.627 119.757 120.400 -0.027 0.000 2.078 163 D HA -0.207 4.433 4.640 0.001 0.000 0.193 163 D C 2.279 178.557 176.300 -0.037 0.000 0.990 163 D CA 1.546 55.524 54.000 -0.037 0.000 0.827 163 D CB 0.010 40.794 40.800 -0.027 0.000 0.975 163 D HN 0.281 nan 8.370 nan 0.000 0.451 164 R N -0.854 119.519 120.500 -0.211 0.000 2.105 164 R HA -0.131 4.209 4.340 0.001 0.000 0.239 164 R C 2.388 178.605 176.300 -0.138 0.000 1.135 164 R CA 1.151 57.097 56.100 -0.255 0.000 0.967 164 R CB -0.595 29.422 30.300 -0.471 0.000 0.861 164 R HN 0.300 nan 8.270 nan 0.000 0.442 165 F N 1.481 121.205 119.950 -0.376 0.000 2.075 165 F HA -0.151 4.377 4.527 0.001 0.000 0.297 165 F C 2.396 177.945 175.800 -0.418 0.000 1.113 165 F CA 1.533 59.093 58.000 -0.735 0.000 1.218 165 F CB -0.353 38.491 39.000 -0.260 0.000 0.984 165 F HN -0.009 nan 8.300 nan 0.000 0.472 166 A N 0.009 122.849 122.820 0.034 0.000 2.032 166 A HA -0.240 4.081 4.320 0.001 0.000 0.221 166 A C 2.061 179.623 177.584 -0.036 0.000 1.165 166 A CA 1.646 53.640 52.037 -0.071 0.000 0.645 166 A CB -0.731 17.924 19.000 -0.575 0.000 0.807 166 A HN 0.559 nan 8.150 nan 0.000 0.453 167 Q N -1.019 118.740 119.800 -0.068 0.000 2.170 167 Q HA -0.150 4.190 4.340 0.001 0.000 0.203 167 Q C 1.680 177.633 176.000 -0.079 0.000 0.976 167 Q CA 1.063 56.854 55.803 -0.019 0.000 0.858 167 Q CB -0.551 28.243 28.738 0.095 0.000 0.907 167 Q HN 0.715 nan 8.270 nan 0.000 0.433 168 F N -0.300 119.264 119.950 -0.643 0.000 2.236 168 F HA -0.161 4.366 4.527 0.001 0.000 0.302 168 F C 1.364 176.634 175.800 -0.883 0.000 1.073 168 F CA 0.586 57.962 58.000 -1.039 0.000 1.336 168 F CB -0.623 37.301 39.000 -1.794 0.000 1.040 168 F HN 0.021 nan 8.300 nan 0.000 0.507 169 F N -1.541 118.416 119.950 0.012 0.000 2.708 169 F HA 0.291 4.819 4.527 0.001 0.000 0.300 169 F C 1.255 177.130 175.800 0.127 0.000 1.118 169 F CA 0.034 58.115 58.000 0.135 0.000 1.307 169 F CB -0.338 38.709 39.000 0.077 0.000 0.986 169 F HN -0.175 nan 8.300 nan 0.000 0.522 170 L N -1.183 120.123 121.223 0.137 0.000 2.691 170 L HA 0.252 4.592 4.340 0.001 0.000 0.185 170 L C 0.374 177.240 176.870 -0.007 0.000 1.081 170 L CA 0.222 55.108 54.840 0.078 0.000 0.865 170 L CB 0.327 42.395 42.059 0.015 0.000 1.370 170 L HN 0.034 nan 8.230 nan 0.000 0.488 171 S N 0.031 115.661 115.700 -0.117 0.000 2.564 171 S HA 0.362 4.833 4.470 0.001 0.000 0.141 171 S C -2.890 171.522 174.600 -0.312 0.000 1.474 171 S CA -0.987 57.100 58.200 -0.189 0.000 1.236 171 S CB 0.510 63.635 63.200 -0.124 0.000 1.481 171 S HN -0.103 nan 8.310 nan 0.000 0.397 172 P HA 0.215 nan 4.420 nan 0.000 0.271 172 P C 0.945 177.844 177.300 -0.669 0.000 1.216 172 P CA -0.543 62.103 63.100 -0.756 0.000 0.776 172 P CB 0.957 31.901 31.700 -1.259 0.000 0.881 173 L N 2.152 123.056 121.223 -0.532 0.000 2.093 173 L HA -0.072 4.268 4.340 0.001 0.000 0.208 173 L C 0.967 177.705 176.870 -0.219 0.000 1.085 173 L CA 0.849 55.503 54.840 -0.309 0.000 0.755 173 L CB -0.820 41.112 42.059 -0.212 0.000 0.904 173 L HN 0.370 nan 8.230 nan 0.000 0.435 174 F N 0.660 120.473 119.950 -0.229 0.000 2.970 174 F HA -0.283 4.244 4.527 0.001 0.000 0.251 174 F C 0.903 176.612 175.800 -0.152 0.000 0.993 174 F CA 0.213 58.084 58.000 -0.216 0.000 0.869 174 F CB -1.690 37.172 39.000 -0.230 0.000 0.762 174 F HN 0.319 nan 8.300 nan 0.000 0.817 175 D N 1.231 121.624 120.400 -0.012 0.000 2.548 175 D HA -0.101 4.540 4.640 0.001 0.000 0.231 175 D C 1.305 177.615 176.300 0.016 0.000 1.142 175 D CA 0.527 54.523 54.000 -0.007 0.000 0.866 175 D CB 0.877 41.663 40.800 -0.024 0.000 1.190 175 D HN 0.543 nan 8.370 nan 0.000 0.469 176 E N 1.324 121.532 120.200 0.012 0.000 2.107 176 E HA -0.150 4.201 4.350 0.001 0.000 0.191 176 E C 1.915 178.530 176.600 0.026 0.000 0.982 176 E CA 1.376 57.785 56.400 0.016 0.000 0.809 176 E CB 0.014 29.718 29.700 0.008 0.000 0.756 176 E HN 0.437 nan 8.360 nan 0.000 0.459 177 S N -0.712 115.002 115.700 0.022 0.000 2.458 177 S HA 0.158 4.628 4.470 0.001 0.000 0.223 177 S C 2.133 176.756 174.600 0.039 0.000 1.019 177 S CA 0.550 58.767 58.200 0.028 0.000 0.937 177 S CB 0.033 63.245 63.200 0.020 0.000 0.788 177 S HN 0.280 nan 8.310 nan 0.000 0.511 178 A N 2.407 125.249 122.820 0.035 0.000 1.933 178 A HA -0.064 4.257 4.320 0.001 0.000 0.218 178 A C 2.192 179.825 177.584 0.081 0.000 1.175 178 A CA 1.746 53.811 52.037 0.047 0.000 0.628 178 A CB -0.793 18.221 19.000 0.023 0.000 0.814 178 A HN 0.663 nan 8.150 nan 0.000 0.444 179 K N -0.253 120.194 120.400 0.078 0.000 1.991 179 K HA -0.234 4.086 4.320 0.001 0.000 0.212 179 K C 1.379 178.103 176.600 0.206 0.000 1.049 179 K CA 1.897 58.270 56.287 0.142 0.000 0.932 179 K CB -0.366 32.182 32.500 0.080 0.000 0.717 179 K HN 0.363 nan 8.250 nan 0.000 0.441 180 D N 0.158 120.627 120.400 0.115 0.000 2.190 180 D HA -0.156 4.484 4.640 0.001 0.000 0.200 180 D C 2.093 178.430 176.300 0.062 0.000 0.992 180 D CA 1.122 55.168 54.000 0.077 0.000 0.854 180 D CB -0.017 40.810 40.800 0.045 0.000 0.936 180 D HN 0.304 nan 8.370 nan 0.000 0.462 181 R N 0.092 120.635 120.500 0.071 0.000 2.052 181 R HA -0.034 4.306 4.340 0.001 0.000 0.224 181 R C 2.091 178.432 176.300 0.067 0.000 1.149 181 R CA 0.639 56.772 56.100 0.055 0.000 0.962 181 R CB -0.122 30.207 30.300 0.049 0.000 0.856 181 R HN -0.053 nan 8.270 nan 0.000 0.433 182 E N 0.844 121.120 120.200 0.127 0.000 2.333 182 E HA -0.123 4.227 4.350 0.001 0.000 0.198 182 E C 1.630 178.290 176.600 0.100 0.000 1.007 182 E CA 0.418 56.920 56.400 0.170 0.000 0.845 182 E CB -0.159 29.699 29.700 0.264 0.000 0.766 182 E HN 0.083 nan 8.360 nan 0.000 0.507 183 V N 0.387 120.308 119.914 0.011 0.000 2.594 183 V HA -0.309 3.811 4.120 0.001 0.000 0.253 183 V C 1.220 177.157 176.094 -0.262 0.000 1.069 183 V CA 2.369 64.446 62.300 -0.371 0.000 1.082 183 V CB -0.439 31.177 31.823 -0.345 0.000 0.680 183 V HN 0.376 nan 8.190 nan 0.000 0.469 184 N N 0.573 119.206 118.700 -0.111 0.000 2.188 184 N HA -0.051 4.689 4.740 0.001 0.000 0.184 184 N C 1.946 177.421 175.510 -0.058 0.000 1.018 184 N CA 1.314 54.321 53.050 -0.072 0.000 0.858 184 N CB -0.435 38.038 38.487 -0.024 0.000 0.989 184 N HN 0.547 nan 8.380 nan 0.000 0.426 185 A N 0.605 123.408 122.820 -0.029 0.000 1.933 185 A HA -0.102 4.218 4.320 0.001 0.000 0.218 185 A C 2.313 179.832 177.584 -0.108 0.000 1.175 185 A CA 1.213 53.283 52.037 0.056 0.000 0.628 185 A CB -0.737 18.373 19.000 0.183 0.000 0.814 185 A HN 0.115 nan 8.150 nan 0.000 0.444 186 V N 0.201 119.923 119.914 -0.321 0.000 2.323 186 V HA -0.226 3.894 4.120 0.001 0.000 0.244 186 V C 2.333 178.269 176.094 -0.263 0.000 1.041 186 V CA 2.361 64.388 62.300 -0.456 0.000 1.025 186 V CB -0.803 30.613 31.823 -0.679 0.000 0.656 186 V HN 0.695 nan 8.190 nan 0.000 0.451 187 D N -0.276 120.000 120.400 -0.207 0.000 2.123 187 D HA -0.195 4.446 4.640 0.001 0.000 0.196 187 D C 2.377 178.652 176.300 -0.043 0.000 0.992 187 D CA 1.744 55.689 54.000 -0.091 0.000 0.833 187 D CB -0.129 40.626 40.800 -0.075 0.000 0.954 187 D HN 0.287 nan 8.370 nan 0.000 0.455 188 S N -0.674 114.993 115.700 -0.055 0.000 2.359 188 S HA -0.194 4.277 4.470 0.001 0.000 0.224 188 S C 1.758 176.287 174.600 -0.119 0.000 1.035 188 S CA 1.301 59.488 58.200 -0.021 0.000 1.018 188 S CB -0.298 62.948 63.200 0.076 0.000 0.876 188 S HN 0.339 nan 8.310 nan 0.000 0.448 189 E N -0.474 119.510 120.200 -0.359 0.000 2.049 189 E HA -0.266 4.084 4.350 0.001 0.000 0.198 189 E C 2.015 178.421 176.600 -0.323 0.000 1.007 189 E CA 1.759 57.786 56.400 -0.622 0.000 0.809 189 E CB -0.332 28.977 29.700 -0.651 0.000 0.749 189 E HN 0.667 nan 8.360 nan 0.000 0.450 190 H N 0.764 119.666 119.070 -0.280 0.000 2.357 190 H HA -0.073 4.484 4.556 0.001 0.000 0.301 190 H C 2.025 177.259 175.328 -0.157 0.000 1.082 190 H CA 1.451 57.369 56.048 -0.216 0.000 1.342 190 H CB 0.176 29.875 29.762 -0.103 0.000 1.389 190 H HN 0.015 nan 8.280 nan 0.000 0.511 191 E N 1.107 121.210 120.200 -0.162 0.000 2.033 191 E HA -0.248 4.103 4.350 0.001 0.000 0.199 191 E C 2.213 178.737 176.600 -0.126 0.000 1.011 191 E CA 1.441 57.757 56.400 -0.141 0.000 0.815 191 E CB -0.418 29.263 29.700 -0.032 0.000 0.755 191 E HN 0.568 nan 8.360 nan 0.000 0.451 192 K N 0.426 120.771 120.400 -0.092 0.000 2.144 192 K HA -0.223 4.098 4.320 0.001 0.000 0.209 192 K C 1.287 177.849 176.600 -0.065 0.000 1.047 192 K CA 1.906 58.161 56.287 -0.054 0.000 0.927 192 K CB -0.007 32.470 32.500 -0.037 0.000 0.716 192 K HN 0.009 nan 8.250 nan 0.000 0.454 193 N N -0.164 118.404 118.700 -0.221 0.000 2.325 193 N HA -0.013 4.727 4.740 0.001 0.000 0.182 193 N C 1.550 177.073 175.510 0.022 0.000 1.088 193 N CA 0.549 53.470 53.050 -0.216 0.000 0.879 193 N CB 0.264 38.317 38.487 -0.723 0.000 0.983 193 N HN -0.010 nan 8.380 nan 0.000 0.471 194 V N 1.018 120.840 119.914 -0.154 0.000 2.324 194 V HA -0.184 3.937 4.120 0.001 0.000 0.250 194 V C 1.855 178.027 176.094 0.130 0.000 1.060 194 V CA 1.359 63.621 62.300 -0.063 0.000 1.042 194 V CB -0.342 31.344 31.823 -0.229 0.000 0.650 194 V HN 0.301 nan 8.190 nan 0.000 0.450 195 M N -0.275 119.361 119.600 0.061 0.000 2.495 195 M HA 0.189 4.669 4.480 0.001 0.000 0.237 195 M C 0.681 177.025 176.300 0.073 0.000 1.131 195 M CA -0.024 55.259 55.300 -0.028 0.000 1.032 195 M CB -1.439 30.915 32.600 -0.410 0.000 1.513 195 M HN 0.419 nan 8.290 nan 0.000 0.488 196 N N 1.253 120.064 118.700 0.185 0.000 2.488 196 N HA 0.011 4.751 4.740 0.001 0.000 0.274 196 N C 0.597 176.200 175.510 0.155 0.000 1.111 196 N CA -0.038 53.141 53.050 0.216 0.000 0.974 196 N CB 1.315 40.017 38.487 0.359 0.000 1.089 196 N HN 0.019 nan 8.380 nan 0.000 0.465 197 D N 2.681 123.138 120.400 0.095 0.000 2.144 197 D HA -0.124 4.516 4.640 0.001 0.000 0.200 197 D C 1.508 177.801 176.300 -0.012 0.000 0.978 197 D CA 0.903 54.929 54.000 0.042 0.000 0.833 197 D CB -0.014 40.815 40.800 0.048 0.000 0.961 197 D HN 0.684 nan 8.370 nan 0.000 0.470 198 A N 0.275 123.078 122.820 -0.029 0.000 1.898 198 A HA -0.137 4.184 4.320 0.001 0.000 0.216 198 A C 2.051 179.490 177.584 -0.242 0.000 1.181 198 A CA 0.829 52.769 52.037 -0.163 0.000 0.620 198 A CB -1.057 17.809 19.000 -0.224 0.000 0.819 198 A HN 0.240 nan 8.150 nan 0.000 0.442 199 W N -0.074 121.133 121.300 -0.155 0.000 2.355 199 W HA -0.103 4.557 4.660 0.001 0.000 0.309 199 W C 2.613 178.763 176.519 -0.615 0.000 1.206 199 W CA 1.513 58.700 57.345 -0.262 0.000 1.284 199 W CB -0.235 29.141 29.460 -0.140 0.000 1.145 199 W HN 0.229 nan 8.180 nan 0.000 0.502 200 R N -0.507 119.777 120.500 -0.359 0.000 2.096 200 R HA -0.203 4.137 4.340 0.001 0.000 0.240 200 R C 2.012 178.130 176.300 -0.303 0.000 1.139 200 R CA 1.502 57.344 56.100 -0.430 0.000 0.952 200 R CB -1.093 29.143 30.300 -0.107 0.000 0.854 200 R HN 0.110 nan 8.270 nan 0.000 0.436 201 L N -0.201 120.884 121.223 -0.230 0.000 2.093 201 L HA -0.112 4.228 4.340 0.001 0.000 0.208 201 L C 2.017 178.721 176.870 -0.277 0.000 1.085 201 L CA 1.424 56.101 54.840 -0.273 0.000 0.755 201 L CB -0.789 41.081 42.059 -0.315 0.000 0.904 201 L HN 0.110 nan 8.230 nan 0.000 0.435 202 F N 0.085 119.806 119.950 -0.382 0.000 2.102 202 F HA -0.296 4.231 4.527 0.001 0.000 0.298 202 F C 2.643 178.279 175.800 -0.273 0.000 1.105 202 F CA 1.784 59.575 58.000 -0.350 0.000 1.239 202 F CB 0.018 38.772 39.000 -0.409 0.000 0.991 202 F HN 0.119 nan 8.300 nan 0.000 0.474 203 Q N 0.428 120.045 119.800 -0.305 0.000 2.187 203 Q HA -0.090 4.250 4.340 0.001 0.000 0.199 203 Q C 1.961 177.809 176.000 -0.253 0.000 0.957 203 Q CA 1.316 56.957 55.803 -0.269 0.000 0.857 203 Q CB -0.417 28.382 28.738 0.102 0.000 0.929 203 Q HN 0.552 nan 8.270 nan 0.000 0.453 204 L N 0.635 121.691 121.223 -0.279 0.000 2.083 204 L HA -0.153 4.188 4.340 0.001 0.000 0.209 204 L C 2.048 178.684 176.870 -0.390 0.000 1.083 204 L CA 1.967 56.603 54.840 -0.341 0.000 0.752 204 L CB -0.446 41.364 42.059 -0.414 0.000 0.899 204 L HN 0.343 nan 8.230 nan 0.000 0.433 205 E N -0.421 119.551 120.200 -0.380 0.000 2.038 205 E HA -0.296 4.055 4.350 0.001 0.000 0.195 205 E C 2.144 178.667 176.600 -0.127 0.000 1.000 205 E CA 1.730 57.972 56.400 -0.263 0.000 0.803 205 E CB -0.047 29.533 29.700 -0.199 0.000 0.750 205 E HN 0.486 nan 8.360 nan 0.000 0.448 206 K N -0.235 119.938 120.400 -0.378 0.000 2.113 206 K HA -0.165 4.155 4.320 0.001 0.000 0.208 206 K C 1.867 178.374 176.600 -0.155 0.000 1.047 206 K CA 1.256 57.239 56.287 -0.507 0.000 0.928 206 K CB -0.121 31.916 32.500 -0.772 0.000 0.716 206 K HN 0.112 nan 8.250 nan 0.000 0.446 207 A N 0.867 123.614 122.820 -0.121 0.000 2.251 207 A HA -0.013 4.307 4.320 0.001 0.000 0.209 207 A C 1.615 179.196 177.584 -0.005 0.000 1.187 207 A CA 0.969 52.993 52.037 -0.023 0.000 0.823 207 A CB -0.298 18.705 19.000 0.004 0.000 0.846 207 A HN 0.398 nan 8.150 nan 0.000 0.486 208 T N -4.119 110.403 114.554 -0.054 0.000 3.044 208 T HA 0.433 4.783 4.350 0.001 0.000 0.260 208 T C 0.875 175.606 174.700 0.052 0.000 1.019 208 T CA 0.365 62.450 62.100 -0.025 0.000 0.921 208 T CB 0.425 69.088 68.868 -0.342 0.000 1.053 208 T HN 0.306 nan 8.240 nan 0.000 0.533 209 G N 1.268 110.152 108.800 0.141 0.000 2.613 209 G HA2 0.432 4.392 3.960 0.001 0.000 0.303 209 G HA3 0.432 4.392 3.960 0.001 0.000 0.303 209 G C -0.463 174.296 174.900 -0.235 0.000 1.312 209 G CA -0.948 44.175 45.100 0.038 0.000 1.036 209 G HN 0.236 nan 8.290 nan 0.000 0.513 210 N N 0.380 118.827 118.700 -0.421 0.000 2.223 210 N HA 0.003 4.743 4.740 0.001 0.000 0.271 210 N C -1.438 174.149 175.510 0.129 0.000 1.315 210 N CA -1.040 52.007 53.050 -0.005 0.000 0.835 210 N CB 1.254 39.838 38.487 0.162 0.000 1.066 210 N HN -0.039 nan 8.380 nan 0.000 0.486 211 P HA -0.008 nan 4.420 nan 0.000 0.226 211 P C 0.511 177.911 177.300 0.167 0.000 1.153 211 P CA 1.041 64.236 63.100 0.157 0.000 0.777 211 P CB 0.380 32.170 31.700 0.149 0.000 0.794 212 K N -2.207 118.298 120.400 0.176 0.000 2.243 212 K HA -0.020 4.300 4.320 0.001 0.000 0.201 212 K C 1.096 177.801 176.600 0.175 0.000 1.051 212 K CA 0.310 56.691 56.287 0.157 0.000 0.970 212 K CB -0.638 31.942 32.500 0.134 0.000 0.755 212 K HN 0.223 nan 8.250 nan 0.000 0.465 213 H N 2.069 121.205 119.070 0.111 0.000 2.929 213 H HA 0.022 4.578 4.556 0.001 0.000 0.317 213 H C -1.815 173.597 175.328 0.141 0.000 1.031 213 H CA -1.713 54.402 56.048 0.112 0.000 1.466 213 H CB 1.149 30.936 29.762 0.042 0.000 1.482 213 H HN -0.043 nan 8.280 nan 0.000 0.561 214 P HA -0.165 nan 4.420 nan 0.000 0.234 214 P C 1.289 178.774 177.300 0.308 0.000 1.162 214 P CA 0.774 64.056 63.100 0.303 0.000 0.759 214 P CB -0.392 31.504 31.700 0.326 0.000 0.813 215 F N 1.866 121.964 119.950 0.247 0.000 2.367 215 F HA -0.110 4.418 4.527 0.001 0.000 0.298 215 F C 2.089 177.865 175.800 -0.039 0.000 1.094 215 F CA 1.163 59.147 58.000 -0.027 0.000 1.409 215 F CB -0.094 38.646 39.000 -0.434 0.000 1.064 215 F HN -0.062 nan 8.300 nan 0.000 0.528 216 S N -0.428 115.275 115.700 0.005 0.000 2.515 216 S HA -0.028 4.442 4.470 0.001 0.000 0.231 216 S C 0.770 175.364 174.600 -0.009 0.000 0.987 216 S CA -0.128 58.039 58.200 -0.054 0.000 0.936 216 S CB -0.650 62.603 63.200 0.089 0.000 0.766 216 S HN 0.248 nan 8.310 nan 0.000 0.528 217 K N 1.389 121.800 120.400 0.018 0.000 2.485 217 K HA 0.114 4.434 4.320 0.001 0.000 0.277 217 K C -0.576 176.047 176.600 0.039 0.000 0.990 217 K CA -0.266 56.060 56.287 0.065 0.000 0.994 217 K CB 0.164 32.701 32.500 0.062 0.000 0.906 217 K HN 0.283 nan 8.250 nan 0.000 0.488 218 F N 2.382 122.212 119.950 -0.201 0.000 2.413 218 F HA 0.265 4.792 4.527 0.001 0.000 0.359 218 F C 0.970 176.604 175.800 -0.278 0.000 1.122 218 F CA -0.920 56.828 58.000 -0.419 0.000 1.160 218 F CB 0.526 38.787 39.000 -1.230 0.000 1.146 218 F HN 0.619 nan 8.300 nan 0.000 0.514 219 G N 3.197 111.808 108.800 -0.315 0.000 2.408 219 G HA2 -0.151 3.809 3.960 0.001 0.000 0.215 219 G HA3 -0.151 3.809 3.960 0.001 0.000 0.215 219 G C 1.288 175.873 174.900 -0.526 0.000 1.156 219 G CA 0.887 45.813 45.100 -0.290 0.000 0.793 219 G HN 0.642 nan 8.290 nan 0.000 0.535 220 T N 0.696 114.751 114.554 -0.830 0.000 2.746 220 T HA 0.287 4.638 4.350 0.001 0.000 0.267 220 T C 1.552 175.854 174.700 -0.664 0.000 1.039 220 T CA 1.118 62.826 62.100 -0.653 0.000 1.142 220 T CB -0.662 67.936 68.868 -0.450 0.000 0.866 220 T HN 1.177 nan 8.240 nan 0.000 0.444 221 G N 2.636 110.622 108.800 -1.356 0.000 2.880 221 G HA2 -0.017 3.944 3.960 0.001 0.000 0.617 221 G HA3 -0.017 3.944 3.960 0.001 0.000 0.617 221 G C -0.589 174.018 174.900 -0.487 0.000 1.493 221 G CA -0.315 44.290 45.100 -0.825 0.000 0.916 221 G HN 0.987 nan 8.290 nan 0.000 0.553 222 N N -1.900 116.638 118.700 -0.270 0.000 3.179 222 N HA 0.538 5.279 4.740 0.001 0.000 0.250 222 N C 0.637 176.071 175.510 -0.125 0.000 1.507 222 N CA -0.035 52.918 53.050 -0.162 0.000 0.883 222 N CB 0.761 39.203 38.487 -0.074 0.000 1.435 222 N HN 0.766 nan 8.380 nan 0.000 0.532 223 K N -0.461 119.889 120.400 -0.083 0.000 2.107 223 K HA -0.237 4.084 4.320 0.001 0.000 0.211 223 K C 1.523 178.128 176.600 0.009 0.000 1.049 223 K CA 1.873 58.122 56.287 -0.063 0.000 0.927 223 K CB -0.852 31.637 32.500 -0.018 0.000 0.714 223 K HN 0.557 nan 8.250 nan 0.000 0.452 224 Y N 0.937 121.222 120.300 -0.025 0.000 2.089 224 Y HA -0.224 4.326 4.550 0.001 0.000 0.282 224 Y C 2.414 178.327 175.900 0.023 0.000 1.139 224 Y CA 2.873 60.985 58.100 0.020 0.000 1.123 224 Y CB -0.994 37.511 38.460 0.075 0.000 0.980 224 Y HN 0.340 nan 8.280 nan 0.000 0.493 225 T N -1.906 112.665 114.554 0.029 0.000 2.915 225 T HA -0.104 4.246 4.350 0.001 0.000 0.269 225 T C 1.481 176.093 174.700 -0.146 0.000 1.071 225 T CA 1.306 63.366 62.100 -0.066 0.000 1.132 225 T CB -0.411 68.481 68.868 0.041 0.000 0.878 225 T HN 0.213 nan 8.240 nan 0.000 0.479 226 L N 0.280 121.397 121.223 -0.177 0.000 2.585 226 L HA 0.512 4.852 4.340 0.001 0.000 0.226 226 L C 1.844 178.625 176.870 -0.148 0.000 1.113 226 L CA 0.688 55.404 54.840 -0.206 0.000 0.876 226 L CB -0.153 41.633 42.059 -0.455 0.000 1.072 226 L HN 0.550 nan 8.230 nan 0.000 0.468 227 E N -2.254 117.861 120.200 -0.142 0.000 3.902 227 E HA -0.041 4.309 4.350 0.001 0.000 0.247 227 E C 1.479 178.012 176.600 -0.112 0.000 1.284 227 E CA 0.737 57.080 56.400 -0.094 0.000 1.773 227 E CB 0.210 29.863 29.700 -0.079 0.000 1.684 227 E HN 0.091 nan 8.360 nan 0.000 0.762 228 T N 1.702 116.175 114.554 -0.135 0.000 2.595 228 T HA -0.164 4.187 4.350 0.001 0.000 0.264 228 T C 1.863 176.416 174.700 -0.245 0.000 1.058 228 T CA 1.740 63.755 62.100 -0.142 0.000 1.166 228 T CB -0.390 68.457 68.868 -0.035 0.000 0.863 228 T HN 0.090 nan 8.240 nan 0.000 0.415 229 R N 1.108 121.278 120.500 -0.549 0.000 2.127 229 R HA -0.095 4.246 4.340 0.001 0.000 0.238 229 R C -0.893 175.283 176.300 -0.206 0.000 1.134 229 R CA 1.267 57.098 56.100 -0.448 0.000 0.975 229 R CB -0.897 28.999 30.300 -0.673 0.000 0.865 229 R HN 0.350 nan 8.270 nan 0.000 0.447 230 P HA -0.052 nan 4.420 nan 0.000 0.215 230 P C 0.142 177.405 177.300 -0.062 0.000 1.157 230 P CA 1.484 64.529 63.100 -0.092 0.000 0.859 230 P CB -0.103 31.551 31.700 -0.076 0.000 0.786 231 N N -0.900 117.764 118.700 -0.061 0.000 2.244 231 N HA -0.179 4.561 4.740 0.001 0.000 0.183 231 N C 1.952 177.444 175.510 -0.030 0.000 1.016 231 N CA 0.420 53.448 53.050 -0.036 0.000 0.866 231 N CB -0.236 38.234 38.487 -0.029 0.000 0.980 231 N HN 0.246 nan 8.380 nan 0.000 0.430 232 Q N 1.305 121.082 119.800 -0.039 0.000 2.046 232 Q HA -0.121 4.219 4.340 0.001 0.000 0.200 232 Q C 0.850 176.840 176.000 -0.017 0.000 0.975 232 Q CA 1.239 57.029 55.803 -0.022 0.000 0.836 232 Q CB 0.179 28.905 28.738 -0.020 0.000 0.896 232 Q HN 0.386 nan 8.270 nan 0.000 0.428 233 E N -0.882 119.303 120.200 -0.025 0.000 2.494 233 E HA 0.071 4.421 4.350 0.001 0.000 0.193 233 E C 0.449 177.041 176.600 -0.012 0.000 1.074 233 E CA 0.256 56.647 56.400 -0.014 0.000 0.867 233 E CB 0.135 29.826 29.700 -0.015 0.000 0.924 233 E HN 0.611 nan 8.360 nan 0.000 0.502 234 G N 1.874 110.665 108.800 -0.015 0.000 2.258 234 G HA2 -0.280 3.680 3.960 0.001 0.000 0.274 234 G HA3 -0.280 3.680 3.960 0.001 0.000 0.274 234 G C 0.304 175.197 174.900 -0.012 0.000 1.021 234 G CA -0.033 45.060 45.100 -0.012 0.000 0.798 234 G HN 0.242 nan 8.290 nan 0.000 0.507 235 I N 0.610 121.170 120.570 -0.017 0.000 2.529 235 I HA 0.172 4.342 4.170 0.001 0.000 0.284 235 I C 0.243 176.349 176.117 -0.019 0.000 1.082 235 I CA -0.293 60.998 61.300 -0.016 0.000 1.406 235 I CB 1.170 39.159 38.000 -0.019 0.000 1.405 235 I HN 0.164 nan 8.210 nan 0.000 0.548 236 D N 6.087 126.475 120.400 -0.020 0.000 2.317 236 D HA 0.184 4.824 4.640 0.001 0.000 0.234 236 D C 0.660 176.938 176.300 -0.037 0.000 1.112 236 D CA -0.458 53.527 54.000 -0.025 0.000 0.840 236 D CB 1.846 42.631 40.800 -0.025 0.000 1.078 236 D HN 0.230 nan 8.370 nan 0.000 0.486 237 V N 5.346 125.241 119.914 -0.033 0.000 2.407 237 V HA -0.119 4.001 4.120 0.001 0.000 0.245 237 V C 2.624 178.650 176.094 -0.114 0.000 1.041 237 V CA 1.459 63.735 62.300 -0.041 0.000 1.040 237 V CB -0.649 31.188 31.823 0.023 0.000 0.671 237 V HN 0.607 nan 8.190 nan 0.000 0.455 238 R N 0.465 120.897 120.500 -0.113 0.000 2.103 238 R HA -0.286 4.054 4.340 0.001 0.000 0.242 238 R C 2.424 178.585 176.300 -0.232 0.000 1.142 238 R CA 2.386 58.375 56.100 -0.184 0.000 0.960 238 R CB -0.389 29.857 30.300 -0.089 0.000 0.858 238 R HN 0.674 nan 8.270 nan 0.000 0.439 239 Q N -0.065 119.653 119.800 -0.137 0.000 2.079 239 Q HA -0.177 4.164 4.340 0.001 0.000 0.200 239 Q C 1.510 177.439 176.000 -0.119 0.000 0.974 239 Q CA 1.506 57.242 55.803 -0.111 0.000 0.840 239 Q CB 0.052 28.754 28.738 -0.061 0.000 0.898 239 Q HN 0.410 nan 8.270 nan 0.000 0.430 240 E N 0.766 120.903 120.200 -0.106 0.000 2.153 240 E HA -0.164 4.186 4.350 0.001 0.000 0.194 240 E C 2.205 178.732 176.600 -0.120 0.000 0.988 240 E CA 0.805 57.165 56.400 -0.068 0.000 0.811 240 E CB -0.210 29.461 29.700 -0.047 0.000 0.746 240 E HN 0.454 nan 8.360 nan 0.000 0.466 241 L N 0.249 121.274 121.223 -0.330 0.000 2.017 241 L HA -0.194 4.146 4.340 0.001 0.000 0.208 241 L C 2.591 179.118 176.870 -0.572 0.000 1.073 241 L CA 0.925 55.389 54.840 -0.626 0.000 0.745 241 L CB -0.453 40.854 42.059 -1.252 0.000 0.894 241 L HN 0.102 nan 8.230 nan 0.000 0.432 242 L N -0.409 120.515 121.223 -0.499 0.000 2.017 242 L HA -0.238 4.102 4.340 0.001 0.000 0.208 242 L C 2.681 179.545 176.870 -0.009 0.000 1.073 242 L CA 1.331 56.060 54.840 -0.186 0.000 0.745 242 L CB -0.566 41.425 42.059 -0.113 0.000 0.894 242 L HN 0.205 nan 8.230 nan 0.000 0.432 243 K N -0.071 120.323 120.400 -0.011 0.000 2.034 243 K HA -0.277 4.043 4.320 0.001 0.000 0.214 243 K C 2.225 178.884 176.600 0.098 0.000 1.051 243 K CA 2.131 58.441 56.287 0.038 0.000 0.931 243 K CB -0.287 32.239 32.500 0.044 0.000 0.715 243 K HN 0.120 nan 8.250 nan 0.000 0.446 244 F N 1.033 120.997 119.950 0.024 0.000 2.113 244 F HA -0.222 4.305 4.527 0.001 0.000 0.297 244 F C 2.583 178.495 175.800 0.188 0.000 1.103 244 F CA 1.779 59.874 58.000 0.157 0.000 1.248 244 F CB -0.347 38.731 39.000 0.130 0.000 0.999 244 F HN 0.252 nan 8.300 nan 0.000 0.475 245 H N -0.895 118.280 119.070 0.175 0.000 2.319 245 H HA -0.174 4.383 4.556 0.001 0.000 0.299 245 H C 2.435 177.803 175.328 0.067 0.000 1.092 245 H CA 1.857 57.930 56.048 0.043 0.000 1.302 245 H CB -0.500 29.291 29.762 0.049 0.000 1.373 245 H HN 0.383 nan 8.280 nan 0.000 0.497 246 S N -0.127 115.698 115.700 0.208 0.000 2.368 246 S HA -0.066 4.405 4.470 0.001 0.000 0.224 246 S C 2.378 176.955 174.600 -0.039 0.000 1.029 246 S CA 1.144 59.411 58.200 0.112 0.000 0.988 246 S CB -0.471 62.776 63.200 0.079 0.000 0.838 246 S HN 0.582 nan 8.310 nan 0.000 0.462 247 A N -1.139 121.592 122.820 -0.149 0.000 2.067 247 A HA 0.109 4.429 4.320 0.001 0.000 0.219 247 A C 1.554 178.797 177.584 -0.568 0.000 1.158 247 A CA 1.188 52.983 52.037 -0.404 0.000 0.661 247 A CB -0.447 18.212 19.000 -0.570 0.000 0.801 247 A HN 0.767 nan 8.150 nan 0.000 0.452 248 Y N -4.518 115.672 120.300 -0.183 0.000 2.476 248 Y HA 0.207 4.758 4.550 0.001 0.000 0.274 248 Y C 0.270 176.152 175.900 -0.031 0.000 1.120 248 Y CA -0.535 57.449 58.100 -0.194 0.000 1.214 248 Y CB 0.601 38.767 38.460 -0.490 0.000 1.285 248 Y HN 0.234 nan 8.280 nan 0.000 0.520 249 Y N 1.764 122.002 120.300 -0.104 0.000 2.851 249 Y HA 0.154 4.705 4.550 0.001 0.000 0.369 249 Y C 0.699 176.560 175.900 -0.066 0.000 1.226 249 Y CA -0.598 57.432 58.100 -0.116 0.000 1.949 249 Y CB 0.182 38.408 38.460 -0.390 0.000 2.059 249 Y HN -0.116 nan 8.280 nan 0.000 0.420 250 S N 0.078 115.801 115.700 0.038 0.000 2.554 250 S HA 0.082 4.552 4.470 0.001 0.000 0.278 250 S C 1.340 175.943 174.600 0.005 0.000 1.242 250 S CA -0.268 57.944 58.200 0.019 0.000 1.051 250 S CB 1.096 64.291 63.200 -0.009 0.000 0.986 250 S HN 0.640 nan 8.310 nan 0.000 0.502 251 S N 3.625 119.336 115.700 0.018 0.000 2.440 251 S HA -0.217 4.253 4.470 0.001 0.000 0.240 251 S C 1.653 176.250 174.600 -0.006 0.000 1.014 251 S CA 1.464 59.669 58.200 0.009 0.000 0.980 251 S CB -0.847 62.369 63.200 0.027 0.000 0.775 251 S HN 0.922 nan 8.310 nan 0.000 0.499 252 N N 1.731 120.427 118.700 -0.008 0.000 2.512 252 N HA -0.036 4.704 4.740 0.001 0.000 0.183 252 N C 1.181 176.691 175.510 0.000 0.000 1.073 252 N CA 0.676 53.719 53.050 -0.012 0.000 0.911 252 N CB -0.299 38.174 38.487 -0.023 0.000 0.964 252 N HN 0.518 nan 8.380 nan 0.000 0.447 253 L N 0.082 121.309 121.223 0.006 0.000 2.910 253 L HA 0.401 4.742 4.340 0.001 0.000 0.252 253 L C 0.276 177.226 176.870 0.133 0.000 1.195 253 L CA -0.157 54.703 54.840 0.034 0.000 1.003 253 L CB 0.107 42.144 42.059 -0.037 0.000 1.328 253 L HN 0.024 nan 8.230 nan 0.000 0.540 254 M N 0.199 119.851 119.600 0.087 0.000 2.508 254 M HA 0.691 5.172 4.480 0.001 0.000 0.327 254 M C -0.402 175.876 176.300 -0.036 0.000 1.160 254 M CA -0.322 55.004 55.300 0.044 0.000 0.980 254 M CB 2.468 35.010 32.600 -0.096 0.000 1.693 254 M HN 0.001 nan 8.290 nan 0.000 0.452 255 A N 1.938 124.690 122.820 -0.114 0.000 2.414 255 A HA 0.868 5.189 4.320 0.001 0.000 0.306 255 A C -1.317 176.147 177.584 -0.200 0.000 1.054 255 A CA -0.662 51.224 52.037 -0.251 0.000 0.724 255 A CB 1.663 20.368 19.000 -0.491 0.000 1.267 255 A HN 0.596 nan 8.150 nan 0.000 0.418 256 V N 1.792 121.562 119.914 -0.238 0.000 2.709 256 V HA 0.628 4.749 4.120 0.001 0.000 0.308 256 V C -0.783 175.180 176.094 -0.220 0.000 1.062 256 V CA -0.480 61.655 62.300 -0.275 0.000 0.901 256 V CB 1.973 33.481 31.823 -0.525 0.000 1.003 256 V HN 0.767 nan 8.190 nan 0.000 0.425 257 V N 4.770 124.576 119.914 -0.180 0.000 2.638 257 V HA 0.691 4.812 4.120 0.001 0.000 0.306 257 V C -0.744 175.251 176.094 -0.165 0.000 1.052 257 V CA -0.564 61.641 62.300 -0.159 0.000 0.885 257 V CB 2.148 33.882 31.823 -0.148 0.000 0.999 257 V HN 0.609 nan 8.190 nan 0.000 0.424 258 V N 5.501 125.330 119.914 -0.141 0.000 2.760 258 V HA 0.611 4.731 4.120 0.001 0.000 0.309 258 V C -0.792 175.244 176.094 -0.097 0.000 1.077 258 V CA -0.610 61.617 62.300 -0.123 0.000 0.910 258 V CB 2.152 33.933 31.823 -0.071 0.000 1.008 258 V HN 0.746 nan 8.190 nan 0.000 0.424 259 L N 3.524 124.689 121.223 -0.096 0.000 2.406 259 L HA 0.972 5.313 4.340 0.001 0.000 0.272 259 L C -0.021 176.821 176.870 -0.046 0.000 0.980 259 L CA 0.274 55.071 54.840 -0.072 0.000 0.831 259 L CB 1.541 43.568 42.059 -0.053 0.000 1.253 259 L HN 0.867 nan 8.230 nan 0.000 0.406 260 G N 3.127 111.905 108.800 -0.036 0.000 2.721 260 G HA2 0.347 4.308 3.960 0.001 0.000 0.296 260 G HA3 0.347 4.308 3.960 0.001 0.000 0.296 260 G C -0.198 174.685 174.900 -0.028 0.000 1.383 260 G CA -0.632 44.464 45.100 -0.006 0.000 0.788 260 G HN 0.593 nan 8.290 nan 0.000 0.500 261 R N -0.206 120.286 120.500 -0.014 0.000 2.073 261 R HA 0.051 4.391 4.340 0.001 0.000 0.229 261 R C 0.134 176.420 176.300 -0.023 0.000 1.120 261 R CA 0.537 56.612 56.100 -0.042 0.000 0.967 261 R CB -0.239 30.028 30.300 -0.055 0.000 0.862 261 R HN 0.529 nan 8.270 nan 0.000 0.436 262 E N 1.801 122.002 120.200 0.002 0.000 2.975 262 E HA -0.119 4.231 4.350 0.001 0.000 0.269 262 E C 0.094 176.686 176.600 -0.013 0.000 0.905 262 E CA 0.433 56.835 56.400 0.003 0.000 0.967 262 E CB 0.227 29.937 29.700 0.016 0.000 0.925 262 E HN 0.227 nan 8.360 nan 0.000 0.507 263 S N 2.750 118.444 115.700 -0.010 0.000 2.563 263 S HA -0.066 4.405 4.470 0.001 0.000 0.269 263 S C 1.230 175.822 174.600 -0.014 0.000 1.364 263 S CA -0.404 57.788 58.200 -0.014 0.000 1.010 263 S CB 0.433 63.630 63.200 -0.006 0.000 0.877 263 S HN 0.539 nan 8.310 nan 0.000 0.549 264 L N 0.608 121.820 121.223 -0.018 0.000 2.079 264 L HA -0.131 4.210 4.340 0.001 0.000 0.210 264 L C 2.258 179.126 176.870 -0.002 0.000 1.081 264 L CA 1.648 56.479 54.840 -0.015 0.000 0.752 264 L CB -0.617 41.434 42.059 -0.012 0.000 0.896 264 L HN 0.684 nan 8.230 nan 0.000 0.433 265 D N -0.280 120.122 120.400 0.003 0.000 2.097 265 D HA -0.172 4.468 4.640 0.001 0.000 0.197 265 D C 1.797 178.105 176.300 0.013 0.000 0.984 265 D CA 1.163 55.169 54.000 0.009 0.000 0.826 265 D CB -0.238 40.568 40.800 0.010 0.000 0.973 265 D HN 0.250 nan 8.370 nan 0.000 0.460 266 D N 0.421 120.828 120.400 0.012 0.000 2.106 266 D HA -0.116 4.524 4.640 0.001 0.000 0.191 266 D C 2.322 178.637 176.300 0.025 0.000 0.997 266 D CA 0.512 54.523 54.000 0.019 0.000 0.834 266 D CB -0.414 40.397 40.800 0.017 0.000 0.956 266 D HN 0.197 nan 8.370 nan 0.000 0.448 267 L N 0.476 121.709 121.223 0.018 0.000 2.079 267 L HA -0.169 4.171 4.340 0.001 0.000 0.210 267 L C 2.419 179.306 176.870 0.028 0.000 1.081 267 L CA 1.206 56.058 54.840 0.021 0.000 0.752 267 L CB -0.697 41.361 42.059 -0.001 0.000 0.896 267 L HN 0.071 nan 8.230 nan 0.000 0.433 268 T N -0.627 113.939 114.554 0.021 0.000 2.708 268 T HA -0.138 4.212 4.350 0.001 0.000 0.266 268 T C 1.695 176.420 174.700 0.042 0.000 1.037 268 T CA 1.409 63.524 62.100 0.025 0.000 1.146 268 T CB -0.275 68.604 68.868 0.018 0.000 0.865 268 T HN 0.311 nan 8.240 nan 0.000 0.435 269 N N 1.390 120.114 118.700 0.040 0.000 2.025 269 N HA -0.054 4.687 4.740 0.001 0.000 0.194 269 N C 1.775 177.324 175.510 0.066 0.000 1.044 269 N CA 0.760 53.837 53.050 0.046 0.000 0.851 269 N CB -0.906 37.602 38.487 0.036 0.000 1.036 269 N HN 0.140 nan 8.380 nan 0.000 0.422 270 L N 1.243 122.509 121.223 0.072 0.000 2.051 270 L HA -0.153 4.187 4.340 0.001 0.000 0.214 270 L C 2.131 179.101 176.870 0.166 0.000 1.076 270 L CA 1.295 56.196 54.840 0.101 0.000 0.758 270 L CB -0.704 41.413 42.059 0.097 0.000 0.890 270 L HN -0.042 nan 8.230 nan 0.000 0.433 271 V N -1.627 118.392 119.914 0.175 0.000 2.229 271 V HA -0.282 3.838 4.120 0.001 0.000 0.243 271 V C 2.461 178.735 176.094 0.300 0.000 1.042 271 V CA 1.636 64.108 62.300 0.288 0.000 1.000 271 V CB -0.491 31.399 31.823 0.111 0.000 0.637 271 V HN 0.283 nan 8.190 nan 0.000 0.446 272 V N 0.092 120.102 119.914 0.159 0.000 2.278 272 V HA -0.370 3.750 4.120 0.001 0.000 0.251 272 V C 2.530 178.683 176.094 0.098 0.000 1.062 272 V CA 2.456 64.826 62.300 0.117 0.000 1.038 272 V CB -0.795 31.070 31.823 0.069 0.000 0.646 272 V HN 0.534 nan 8.190 nan 0.000 0.447 273 K N -0.518 119.931 120.400 0.081 0.000 2.113 273 K HA -0.171 4.150 4.320 0.001 0.000 0.208 273 K C 1.811 178.418 176.600 0.012 0.000 1.047 273 K CA 1.698 58.012 56.287 0.044 0.000 0.928 273 K CB -0.100 32.425 32.500 0.041 0.000 0.716 273 K HN 0.461 nan 8.250 nan 0.000 0.446 274 L N -1.484 119.747 121.223 0.014 0.000 2.638 274 L HA 0.125 4.465 4.340 0.001 0.000 0.232 274 L C 0.983 177.585 176.870 -0.445 0.000 1.099 274 L CA -0.044 54.675 54.840 -0.201 0.000 0.883 274 L CB 0.311 42.213 42.059 -0.261 0.000 1.136 274 L HN 0.022 nan 8.230 nan 0.000 0.492 275 F N -1.968 118.006 119.950 0.039 0.000 2.834 275 F HA 0.135 4.662 4.527 0.001 0.000 0.332 275 F C 2.251 178.059 175.800 0.014 0.000 1.056 275 F CA 0.042 58.057 58.000 0.026 0.000 1.178 275 F CB 0.374 39.380 39.000 0.011 0.000 1.037 275 F HN -0.199 nan 8.300 nan 0.000 0.580 276 S N 0.508 116.299 115.700 0.153 0.000 2.419 276 S HA -0.210 4.260 4.470 0.001 0.000 0.233 276 S C 1.661 176.298 174.600 0.061 0.000 1.016 276 S CA 1.516 59.770 58.200 0.090 0.000 0.974 276 S CB -0.566 62.671 63.200 0.062 0.000 0.786 276 S HN 0.585 nan 8.310 nan 0.000 0.492 277 E N 1.175 121.399 120.200 0.041 0.000 2.533 277 E HA 0.006 4.356 4.350 0.001 0.000 0.201 277 E C -0.354 176.270 176.600 0.040 0.000 1.097 277 E CA 0.169 56.582 56.400 0.022 0.000 0.887 277 E CB -0.281 29.413 29.700 -0.010 0.000 0.855 277 E HN 0.180 nan 8.360 nan 0.000 0.540 278 V N 2.549 122.506 119.914 0.071 0.000 2.385 278 V HA 0.032 4.152 4.120 0.001 0.000 0.269 278 V C 0.508 176.644 176.094 0.069 0.000 1.043 278 V CA -0.533 61.821 62.300 0.091 0.000 0.906 278 V CB 1.067 32.970 31.823 0.133 0.000 0.995 278 V HN 0.219 nan 8.190 nan 0.000 0.467 279 E N 3.657 123.897 120.200 0.067 0.000 2.529 279 E HA -0.071 4.279 4.350 0.001 0.000 0.259 279 E C 0.035 176.656 176.600 0.035 0.000 0.966 279 E CA 0.081 56.508 56.400 0.045 0.000 0.937 279 E CB 0.380 30.108 29.700 0.047 0.000 0.923 279 E HN 0.565 nan 8.360 nan 0.000 0.468 280 N N 3.522 122.233 118.700 0.018 0.000 2.678 280 N HA 0.022 4.763 4.740 0.001 0.000 0.231 280 N C -0.096 175.409 175.510 -0.007 0.000 1.038 280 N CA -0.095 52.959 53.050 0.006 0.000 0.932 280 N CB 0.415 38.903 38.487 0.002 0.000 1.176 280 N HN 0.286 nan 8.380 nan 0.000 0.511 281 K N 1.493 121.884 120.400 -0.015 0.000 2.505 281 K HA 0.079 4.399 4.320 0.001 0.000 0.192 281 K C 0.008 176.580 176.600 -0.046 0.000 1.025 281 K CA -0.186 56.081 56.287 -0.034 0.000 1.086 281 K CB -0.138 32.333 32.500 -0.048 0.000 0.840 281 K HN 0.513 nan 8.250 nan 0.000 0.514 282 N N 1.577 120.255 118.700 -0.037 0.000 2.705 282 N HA -0.154 4.586 4.740 0.001 0.000 0.255 282 N C -0.846 174.631 175.510 -0.055 0.000 1.008 282 N CA 0.257 53.282 53.050 -0.042 0.000 0.742 282 N CB -0.677 37.787 38.487 -0.037 0.000 0.906 282 N HN -0.069 nan 8.380 nan 0.000 0.541 283 V N 1.626 121.505 119.914 -0.059 0.000 2.555 283 V HA 0.265 4.385 4.120 0.001 0.000 0.286 283 V C -1.317 174.739 176.094 -0.063 0.000 1.044 283 V CA -0.936 61.324 62.300 -0.068 0.000 1.026 283 V CB 0.965 32.755 31.823 -0.055 0.000 0.981 283 V HN 0.211 nan 8.190 nan 0.000 0.480 284 P HA 0.149 nan 4.420 nan 0.000 0.275 284 P C -0.669 176.575 177.300 -0.093 0.000 1.227 284 P CA -0.374 62.678 63.100 -0.080 0.000 0.781 284 P CB 1.105 32.760 31.700 -0.076 0.000 0.906 285 L N 5.309 126.444 121.223 -0.147 0.000 2.290 285 L HA 0.372 4.712 4.340 0.001 0.000 0.284 285 L C -2.335 174.396 176.870 -0.231 0.000 1.078 285 L CA -2.046 52.662 54.840 -0.219 0.000 0.815 285 L CB 0.507 42.367 42.059 -0.333 0.000 1.162 285 L HN 0.232 nan 8.230 nan 0.000 0.435 286 P HA 0.150 nan 4.420 nan 0.000 0.266 286 P C -0.924 176.080 177.300 -0.494 0.000 1.195 286 P CA 0.121 63.007 63.100 -0.357 0.000 0.768 286 P CB 0.598 32.124 31.700 -0.289 0.000 0.838 287 E N 1.758 121.578 120.200 -0.632 0.000 2.277 287 E HA 0.419 4.769 4.350 0.001 0.000 0.266 287 E C -0.863 175.275 176.600 -0.770 0.000 0.901 287 E CA -0.430 55.688 56.400 -0.470 0.000 0.782 287 E CB 1.503 31.068 29.700 -0.224 0.000 1.228 287 E HN 0.305 nan 8.360 nan 0.000 0.424 288 F N 1.160 121.160 119.950 0.084 0.000 2.710 288 F HA 0.268 4.795 4.527 0.001 0.000 0.345 288 F C -1.827 174.092 175.800 0.199 0.000 1.362 288 F CA -1.587 56.513 58.000 0.166 0.000 1.175 288 F CB 1.271 40.519 39.000 0.413 0.000 1.561 288 F HN 0.216 nan 8.300 nan 0.000 0.593 289 P HA -0.081 nan 4.420 nan 0.000 0.236 289 P C 0.210 177.616 177.300 0.176 0.000 1.177 289 P CA 0.792 63.984 63.100 0.153 0.000 0.773 289 P CB 0.467 32.207 31.700 0.067 0.000 0.878 290 E N 0.147 120.457 120.200 0.183 0.000 2.197 290 E HA 0.076 4.426 4.350 0.001 0.000 0.281 290 E C -0.419 176.294 176.600 0.188 0.000 0.995 290 E CA -0.751 55.753 56.400 0.174 0.000 0.808 290 E CB 0.509 30.287 29.700 0.129 0.000 1.093 290 E HN 0.133 nan 8.360 nan 0.000 0.394 291 H N 4.844 123.935 119.070 0.035 0.000 2.848 291 H HA 0.045 4.602 4.556 0.001 0.000 0.341 291 H C -1.776 173.344 175.328 -0.346 0.000 1.060 291 H CA -1.437 54.477 56.048 -0.223 0.000 1.444 291 H CB 1.392 31.071 29.762 -0.138 0.000 1.446 291 H HN 0.419 nan 8.280 nan 0.000 0.583 292 P HA -0.132 nan 4.420 nan 0.000 0.218 292 P C -0.264 176.896 177.300 -0.233 0.000 1.148 292 P CA 1.191 63.701 63.100 -0.983 0.000 0.822 292 P CB 0.083 30.704 31.700 -1.797 0.000 0.784 293 F N 0.290 120.318 119.950 0.130 0.000 2.371 293 F HA 0.339 4.867 4.527 0.001 0.000 0.363 293 F C 1.156 177.102 175.800 0.243 0.000 1.122 293 F CA -0.918 57.191 58.000 0.181 0.000 1.129 293 F CB -0.082 39.033 39.000 0.192 0.000 1.173 293 F HN -0.133 nan 8.300 nan 0.000 0.489 294 Q N 1.009 121.184 119.800 0.626 0.000 2.364 294 Q HA 0.179 4.520 4.340 0.001 0.000 0.204 294 Q C 1.462 177.606 176.000 0.239 0.000 1.002 294 Q CA -0.525 55.504 55.803 0.377 0.000 1.012 294 Q CB 0.628 29.567 28.738 0.335 0.000 1.188 294 Q HN 0.546 nan 8.270 nan 0.000 0.522 295 E N 1.419 121.689 120.200 0.117 0.000 2.068 295 E HA -0.260 4.090 4.350 0.001 0.000 0.207 295 E C 1.485 178.080 176.600 -0.008 0.000 1.032 295 E CA 2.325 58.757 56.400 0.053 0.000 0.839 295 E CB 0.007 29.727 29.700 0.033 0.000 0.758 295 E HN 0.630 nan 8.360 nan 0.000 0.457 296 E N -0.285 119.839 120.200 -0.127 0.000 2.268 296 E HA -0.220 4.131 4.350 0.001 0.000 0.195 296 E C 1.037 177.496 176.600 -0.234 0.000 0.995 296 E CA 1.267 57.537 56.400 -0.217 0.000 0.836 296 E CB -0.546 28.975 29.700 -0.298 0.000 0.763 296 E HN 0.578 nan 8.360 nan 0.000 0.491 297 H N 0.505 119.635 119.070 0.100 0.000 2.533 297 H HA 0.323 4.879 4.556 0.001 0.000 0.271 297 H C 0.574 175.914 175.328 0.021 0.000 1.000 297 H CA 0.138 56.235 56.048 0.081 0.000 1.149 297 H CB 0.176 30.026 29.762 0.147 0.000 1.375 297 H HN 0.109 nan 8.280 nan 0.000 0.582 298 L N -0.209 121.076 121.223 0.103 0.000 2.313 298 L HA 0.276 4.617 4.340 0.001 0.000 0.268 298 L C 0.767 177.671 176.870 0.056 0.000 1.010 298 L CA -0.954 53.936 54.840 0.083 0.000 0.814 298 L CB 1.370 43.495 42.059 0.110 0.000 1.304 298 L HN -0.089 nan 8.230 nan 0.000 0.441 299 K N -0.237 120.207 120.400 0.073 0.000 3.129 299 K HA -0.162 4.159 4.320 0.001 0.000 0.273 299 K C -0.581 176.024 176.600 0.009 0.000 1.123 299 K CA 0.349 56.677 56.287 0.069 0.000 0.800 299 K CB -1.104 31.427 32.500 0.052 0.000 1.238 299 K HN 0.494 nan 8.250 nan 0.000 0.492 300 Q N 0.470 120.256 119.800 -0.023 0.000 2.226 300 Q HA 0.549 4.889 4.340 0.001 0.000 0.256 300 Q C -0.524 175.332 176.000 -0.241 0.000 0.962 300 Q CA -0.808 54.888 55.803 -0.179 0.000 0.887 300 Q CB 1.778 30.393 28.738 -0.206 0.000 1.282 300 Q HN 0.244 nan 8.270 nan 0.000 0.449 301 L N 2.011 122.981 121.223 -0.421 0.000 2.362 301 L HA 0.495 4.835 4.340 0.001 0.000 0.275 301 L C -1.875 174.660 176.870 -0.557 0.000 0.998 301 L CA -0.543 54.117 54.840 -0.299 0.000 0.820 301 L CB 1.250 43.234 42.059 -0.126 0.000 1.270 301 L HN 0.444 nan 8.230 nan 0.000 0.415 302 Y N 3.605 123.890 120.300 -0.025 0.000 2.350 302 Y HA 0.576 5.127 4.550 0.001 0.000 0.338 302 Y C -0.278 175.558 175.900 -0.106 0.000 0.961 302 Y CA -0.715 57.368 58.100 -0.028 0.000 1.100 302 Y CB 1.744 40.186 38.460 -0.030 0.000 1.179 302 Y HN 0.376 nan 8.280 nan 0.000 0.454 303 K N 5.142 125.465 120.400 -0.130 0.000 2.307 303 K HA 0.689 5.009 4.320 0.001 0.000 0.263 303 K C -1.304 175.124 176.600 -0.286 0.000 0.973 303 K CA -0.521 55.400 56.287 -0.611 0.000 0.846 303 K CB 1.871 33.503 32.500 -1.447 0.000 1.100 303 K HN 0.579 nan 8.250 nan 0.000 0.438 304 I N 2.199 122.774 120.570 0.009 0.000 2.533 304 I HA 0.184 4.354 4.170 0.001 0.000 0.290 304 I C -0.458 175.841 176.117 0.304 0.000 1.056 304 I CA -1.208 60.208 61.300 0.192 0.000 1.057 304 I CB 2.245 40.331 38.000 0.143 0.000 1.240 304 I HN 0.192 nan 8.210 nan 0.000 0.423 305 V N 7.849 127.912 119.914 0.249 0.000 2.427 305 V HA 0.268 4.388 4.120 0.001 0.000 0.268 305 V C -1.816 174.363 176.094 0.143 0.000 1.046 305 V CA -1.214 61.212 62.300 0.210 0.000 0.970 305 V CB 0.363 32.284 31.823 0.163 0.000 1.001 305 V HN 0.568 nan 8.190 nan 0.000 0.476 306 P HA 0.340 nan 4.420 nan 0.000 0.276 306 P C 0.689 178.023 177.300 0.058 0.000 1.261 306 P CA -0.435 62.716 63.100 0.086 0.000 0.800 306 P CB 1.472 33.223 31.700 0.084 0.000 1.066 307 I N -0.690 119.904 120.570 0.041 0.000 2.188 307 I HA -0.008 4.162 4.170 0.001 0.000 0.237 307 I C 1.421 177.547 176.117 0.015 0.000 1.073 307 I CA 1.188 62.497 61.300 0.015 0.000 1.359 307 I CB -1.355 36.637 38.000 -0.012 0.000 1.083 307 I HN 0.337 nan 8.210 nan 0.000 0.412 308 K N 1.452 121.867 120.400 0.024 0.000 2.344 308 K HA -0.098 4.223 4.320 0.001 0.000 0.260 308 K C 0.006 176.622 176.600 0.028 0.000 0.988 308 K CA -0.021 56.282 56.287 0.027 0.000 0.909 308 K CB 0.203 32.724 32.500 0.036 0.000 0.968 308 K HN 0.009 nan 8.250 nan 0.000 0.505 309 D N 2.508 122.921 120.400 0.022 0.000 2.517 309 D HA 0.166 4.806 4.640 0.001 0.000 0.220 309 D C -0.554 175.757 176.300 0.018 0.000 1.158 309 D CA -0.228 53.780 54.000 0.014 0.000 0.992 309 D CB -0.668 40.135 40.800 0.004 0.000 1.058 309 D HN 0.365 nan 8.370 nan 0.000 0.516 310 I N -1.047 119.539 120.570 0.026 0.000 2.785 310 I HA 0.617 4.787 4.170 0.001 0.000 0.302 310 I C -0.513 175.618 176.117 0.024 0.000 1.069 310 I CA -1.199 60.119 61.300 0.030 0.000 1.045 310 I CB 2.372 40.401 38.000 0.049 0.000 1.236 310 I HN -0.201 nan 8.210 nan 0.000 0.429 311 R N 3.652 124.157 120.500 0.009 0.000 2.412 311 R HA 0.502 4.842 4.340 0.001 0.000 0.304 311 R C -1.347 174.933 176.300 -0.034 0.000 1.066 311 R CA -0.544 55.552 56.100 -0.007 0.000 0.923 311 R CB 1.289 31.578 30.300 -0.018 0.000 1.156 311 R HN 0.725 nan 8.270 nan 0.000 0.513 312 N N 2.705 121.380 118.700 -0.042 0.000 2.229 312 N HA 0.349 5.090 4.740 0.001 0.000 0.298 312 N C -1.681 173.685 175.510 -0.239 0.000 1.114 312 N CA -0.786 52.143 53.050 -0.202 0.000 0.776 312 N CB 2.797 41.104 38.487 -0.300 0.000 1.501 312 N HN 0.158 nan 8.380 nan 0.000 0.474 313 L N 2.411 123.405 121.223 -0.383 0.000 2.325 313 L HA 0.483 4.823 4.340 0.001 0.000 0.281 313 L C -1.738 174.853 176.870 -0.465 0.000 1.004 313 L CA -0.502 54.170 54.840 -0.281 0.000 0.823 313 L CB 0.433 42.401 42.059 -0.151 0.000 1.236 313 L HN 0.405 nan 8.230 nan 0.000 0.415 314 Y N 4.685 124.972 120.300 -0.023 0.000 2.402 314 Y HA 0.568 5.118 4.550 0.001 0.000 0.332 314 Y C -0.152 175.705 175.900 -0.072 0.000 0.960 314 Y CA -0.696 57.374 58.100 -0.049 0.000 1.228 314 Y CB 1.673 40.101 38.460 -0.054 0.000 1.120 314 Y HN 0.308 nan 8.280 nan 0.000 0.491 315 V N 3.234 123.153 119.914 0.008 0.000 2.398 315 V HA 0.602 4.723 4.120 0.001 0.000 0.286 315 V C -0.072 175.950 176.094 -0.120 0.000 1.026 315 V CA -0.486 61.744 62.300 -0.116 0.000 0.868 315 V CB 1.786 33.483 31.823 -0.209 0.000 0.982 315 V HN 0.773 nan 8.190 nan 0.000 0.443 316 T N 5.209 119.626 114.554 -0.228 0.000 2.971 316 T HA 0.714 5.064 4.350 0.001 0.000 0.304 316 T C -1.370 173.220 174.700 -0.183 0.000 1.038 316 T CA -0.278 61.782 62.100 -0.067 0.000 1.007 316 T CB 0.803 69.710 68.868 0.065 0.000 1.055 316 T HN 0.233 nan 8.240 nan 0.000 0.451 317 F N 5.496 125.653 119.950 0.345 0.000 2.495 317 F HA 0.577 5.104 4.527 0.001 0.000 0.327 317 F C -2.032 173.988 175.800 0.367 0.000 1.103 317 F CA -2.375 55.814 58.000 0.316 0.000 0.949 317 F CB 2.271 41.434 39.000 0.271 0.000 1.142 317 F HN 0.345 nan 8.300 nan 0.000 0.457 318 P HA 0.355 nan 4.420 nan 0.000 0.275 318 P C -0.905 176.418 177.300 0.038 0.000 1.227 318 P CA -0.019 63.100 63.100 0.032 0.000 0.781 318 P CB 1.442 32.875 31.700 -0.445 0.000 0.906 319 I N -1.128 119.484 120.570 0.070 0.000 2.994 319 I HA 0.602 4.773 4.170 0.001 0.000 0.306 319 I C -2.907 173.317 176.117 0.179 0.000 1.195 319 I CA -3.566 57.809 61.300 0.125 0.000 1.001 319 I CB 2.420 40.530 38.000 0.183 0.000 1.244 319 I HN 0.028 nan 8.210 nan 0.000 0.437 320 P HA -0.016 nan 4.420 nan 0.000 0.269 320 P C -0.686 176.712 177.300 0.163 0.000 1.215 320 P CA 0.119 63.327 63.100 0.179 0.000 0.780 320 P CB 0.434 32.234 31.700 0.167 0.000 0.898 321 D N 2.045 122.519 120.400 0.124 0.000 2.455 321 D HA -0.055 4.585 4.640 0.001 0.000 0.265 321 D C 0.999 177.372 176.300 0.122 0.000 1.284 321 D CA 0.406 54.453 54.000 0.079 0.000 0.944 321 D CB -0.021 40.799 40.800 0.034 0.000 1.121 321 D HN 0.251 nan 8.370 nan 0.000 0.525 322 L N 3.174 124.504 121.223 0.180 0.000 2.610 322 L HA -0.097 4.244 4.340 0.001 0.000 0.232 322 L C 2.165 179.169 176.870 0.224 0.000 1.149 322 L CA -0.019 54.998 54.840 0.295 0.000 0.872 322 L CB -0.233 42.014 42.059 0.313 0.000 0.992 322 L HN 0.394 nan 8.230 nan 0.000 0.447 323 Q N 2.298 122.174 119.800 0.126 0.000 2.096 323 Q HA -0.269 4.071 4.340 0.001 0.000 0.208 323 Q C 2.113 178.215 176.000 0.170 0.000 0.993 323 Q CA 2.386 58.270 55.803 0.135 0.000 0.862 323 Q CB -0.203 28.591 28.738 0.093 0.000 0.915 323 Q HN 0.584 nan 8.270 nan 0.000 0.416 324 K N -1.271 119.118 120.400 -0.018 0.000 2.209 324 K HA -0.182 4.138 4.320 0.001 0.000 0.204 324 K C 0.856 177.434 176.600 -0.037 0.000 1.048 324 K CA 1.465 57.715 56.287 -0.062 0.000 0.940 324 K CB -0.512 31.815 32.500 -0.289 0.000 0.729 324 K HN 0.301 nan 8.250 nan 0.000 0.451 325 Y N 1.695 122.096 120.300 0.168 0.000 2.465 325 Y HA 0.030 4.580 4.550 0.001 0.000 0.311 325 Y C 1.565 177.511 175.900 0.077 0.000 1.204 325 Y CA -0.775 57.372 58.100 0.079 0.000 1.272 325 Y CB -1.222 37.276 38.460 0.064 0.000 1.083 325 Y HN 0.225 nan 8.280 nan 0.000 0.508 326 Y N 0.926 121.361 120.300 0.225 0.000 2.228 326 Y HA -0.320 4.230 4.550 0.001 0.000 0.285 326 Y C 1.831 177.846 175.900 0.191 0.000 1.178 326 Y CA 1.600 59.833 58.100 0.221 0.000 1.202 326 Y CB -0.691 37.945 38.460 0.293 0.000 0.974 326 Y HN 0.147 nan 8.280 nan 0.000 0.527 327 K N 0.634 120.715 120.400 -0.532 0.000 2.217 327 K HA -0.035 4.285 4.320 0.001 0.000 0.202 327 K C 2.123 178.730 176.600 0.011 0.000 1.051 327 K CA 1.363 57.467 56.287 -0.304 0.000 0.952 327 K CB -0.365 31.886 32.500 -0.416 0.000 0.736 327 K HN 0.478 nan 8.250 nan 0.000 0.453 328 S N 1.007 116.746 115.700 0.066 0.000 2.483 328 S HA -0.090 4.380 4.470 0.001 0.000 0.221 328 S C 0.642 175.429 174.600 0.312 0.000 1.030 328 S CA 0.100 58.407 58.200 0.177 0.000 0.925 328 S CB -0.605 62.601 63.200 0.009 0.000 0.795 328 S HN 0.515 nan 8.310 nan 0.000 0.511 329 N N 2.108 120.961 118.700 0.255 0.000 2.667 329 N HA -0.086 4.654 4.740 0.001 0.000 0.263 329 N C -1.927 173.773 175.510 0.317 0.000 1.038 329 N CA 0.390 53.619 53.050 0.297 0.000 0.749 329 N CB 0.041 38.703 38.487 0.291 0.000 0.892 329 N HN 0.441 nan 8.380 nan 0.000 0.546 330 P HA -0.128 nan 4.420 nan 0.000 0.218 330 P C 1.523 179.001 177.300 0.296 0.000 1.149 330 P CA 1.665 64.872 63.100 0.178 0.000 0.817 330 P CB -0.078 31.622 31.700 0.000 0.000 0.785 331 G N -0.504 108.484 108.800 0.315 0.000 2.418 331 G HA2 -0.278 3.683 3.960 0.001 0.000 0.217 331 G HA3 -0.278 3.683 3.960 0.001 0.000 0.217 331 G C 1.741 176.900 174.900 0.432 0.000 1.158 331 G CA 0.720 46.057 45.100 0.394 0.000 0.771 331 G HN 0.356 nan 8.290 nan 0.000 0.545 332 H N -1.050 118.184 119.070 0.274 0.000 2.326 332 H HA -0.157 4.400 4.556 0.001 0.000 0.301 332 H C 2.215 177.703 175.328 0.266 0.000 1.081 332 H CA 1.444 57.625 56.048 0.221 0.000 1.334 332 H CB -0.141 29.712 29.762 0.152 0.000 1.385 332 H HN 0.389 nan 8.280 nan 0.000 0.504 333 Y N 1.456 121.809 120.300 0.088 0.000 2.069 333 Y HA -0.290 4.260 4.550 0.001 0.000 0.278 333 Y C 2.474 178.439 175.900 0.107 0.000 1.175 333 Y CA 2.050 60.173 58.100 0.038 0.000 1.134 333 Y CB -0.566 38.004 38.460 0.184 0.000 0.965 333 Y HN 0.143 nan 8.280 nan 0.000 0.498 334 L N -0.539 120.882 121.223 0.330 0.000 2.109 334 L HA -0.080 4.260 4.340 0.001 0.000 0.207 334 L C 2.768 179.812 176.870 0.289 0.000 1.086 334 L CA 1.063 56.061 54.840 0.263 0.000 0.760 334 L CB -1.103 41.123 42.059 0.279 0.000 0.910 334 L HN 0.419 nan 8.230 nan 0.000 0.437 335 G N -1.051 107.957 108.800 0.346 0.000 2.432 335 G HA2 -0.344 3.616 3.960 0.001 0.000 0.219 335 G HA3 -0.344 3.616 3.960 0.001 0.000 0.219 335 G C 1.358 176.308 174.900 0.082 0.000 1.135 335 G CA 1.109 46.328 45.100 0.198 0.000 0.767 335 G HN 0.492 nan 8.290 nan 0.000 0.550 336 H N -0.251 118.759 119.070 -0.099 0.000 2.353 336 H HA 0.025 4.581 4.556 0.001 0.000 0.300 336 H C 2.327 177.644 175.328 -0.019 0.000 1.090 336 H CA 1.119 57.092 56.048 -0.125 0.000 1.327 336 H CB 0.005 29.566 29.762 -0.334 0.000 1.383 336 H HN 0.176 nan 8.280 nan 0.000 0.508 337 L N 0.639 121.831 121.223 -0.052 0.000 2.007 337 L HA -0.129 4.211 4.340 0.001 0.000 0.205 337 L C 2.541 179.407 176.870 -0.006 0.000 1.073 337 L CA 1.134 55.967 54.840 -0.012 0.000 0.744 337 L CB -1.218 40.856 42.059 0.025 0.000 0.898 337 L HN 0.453 nan 8.230 nan 0.000 0.435 338 I N 0.126 120.706 120.570 0.016 0.000 2.248 338 I HA -0.212 3.958 4.170 0.001 0.000 0.248 338 I C 2.175 178.163 176.117 -0.216 0.000 1.107 338 I CA 1.726 62.936 61.300 -0.151 0.000 1.373 338 I CB -1.444 36.611 38.000 0.092 0.000 1.055 338 I HN 0.329 nan 8.210 nan 0.000 0.418 339 G N -0.781 107.948 108.800 -0.119 0.000 3.042 339 G HA2 -0.065 3.896 3.960 0.001 0.000 0.212 339 G HA3 -0.065 3.896 3.960 0.001 0.000 0.212 339 G C 0.695 175.474 174.900 -0.202 0.000 1.166 339 G CA -0.219 44.798 45.100 -0.138 0.000 0.767 339 G HN 0.351 nan 8.290 nan 0.000 0.546 340 H N 0.685 119.572 119.070 -0.304 0.000 2.871 340 H HA 0.103 4.660 4.556 0.001 0.000 0.355 340 H C 0.429 175.438 175.328 -0.531 0.000 1.092 340 H CA 0.901 56.727 56.048 -0.371 0.000 1.420 340 H CB 0.999 30.618 29.762 -0.238 0.000 1.400 340 H HN 0.284 nan 8.280 nan 0.000 0.604 341 E N 1.964 121.493 120.200 -1.118 0.000 2.539 341 E HA 0.147 4.497 4.350 0.001 0.000 0.215 341 E C 0.973 177.386 176.600 -0.311 0.000 0.965 341 E CA -0.204 55.725 56.400 -0.785 0.000 1.019 341 E CB 0.878 29.899 29.700 -1.132 0.000 1.059 341 E HN 0.714 nan 8.360 nan 0.000 0.496 342 G N 2.331 111.111 108.800 -0.034 0.000 2.553 342 G HA2 0.183 4.143 3.960 0.001 0.000 0.278 342 G HA3 0.183 4.143 3.960 0.001 0.000 0.278 342 G C -2.534 172.481 174.900 0.193 0.000 1.349 342 G CA -1.063 44.159 45.100 0.202 0.000 1.037 342 G HN -0.155 nan 8.290 nan 0.000 0.508 343 P HA 0.165 nan 4.420 nan 0.000 0.261 343 P C 0.829 178.219 177.300 0.149 0.000 1.183 343 P CA 1.684 64.868 63.100 0.140 0.000 0.761 343 P CB 0.760 32.538 31.700 0.131 0.000 0.785 344 G N 2.014 110.903 108.800 0.149 0.000 2.194 344 G HA2 -0.235 3.725 3.960 0.001 0.000 0.236 344 G HA3 -0.235 3.725 3.960 0.001 0.000 0.236 344 G C 0.346 175.459 174.900 0.354 0.000 0.987 344 G CA 0.205 45.425 45.100 0.201 0.000 0.635 344 G HN 0.776 nan 8.290 nan 0.000 0.520 345 S N 0.222 116.091 115.700 0.282 0.000 2.592 345 S HA 0.569 5.039 4.470 0.001 0.000 0.271 345 S C 1.566 176.336 174.600 0.284 0.000 1.326 345 S CA 0.189 58.543 58.200 0.257 0.000 1.024 345 S CB 1.891 65.150 63.200 0.099 0.000 0.921 345 S HN 1.333 nan 8.310 nan 0.000 0.527 346 L N 2.799 124.017 121.223 -0.009 0.000 2.021 346 L HA -0.128 4.212 4.340 0.001 0.000 0.215 346 L C 2.209 179.143 176.870 0.107 0.000 1.074 346 L CA 1.830 56.698 54.840 0.047 0.000 0.760 346 L CB -0.732 40.986 42.059 -0.569 0.000 0.889 346 L HN 0.899 nan 8.230 nan 0.000 0.433 347 L N -1.089 120.103 121.223 -0.052 0.000 1.990 347 L HA -0.295 4.046 4.340 0.001 0.000 0.213 347 L C 2.699 179.578 176.870 0.015 0.000 1.072 347 L CA 2.197 57.013 54.840 -0.040 0.000 0.755 347 L CB -0.637 41.351 42.059 -0.119 0.000 0.889 347 L HN 0.627 nan 8.230 nan 0.000 0.432 348 S N -0.451 115.268 115.700 0.032 0.000 2.374 348 S HA -0.301 4.169 4.470 0.001 0.000 0.227 348 S C 1.845 176.464 174.600 0.032 0.000 1.037 348 S CA 2.007 60.230 58.200 0.037 0.000 1.024 348 S CB -0.276 62.962 63.200 0.063 0.000 0.861 348 S HN 0.601 nan 8.310 nan 0.000 0.456 349 E N 0.817 121.071 120.200 0.090 0.000 2.107 349 E HA 0.026 4.377 4.350 0.001 0.000 0.191 349 E C 1.923 178.492 176.600 -0.051 0.000 0.982 349 E CA 1.129 57.533 56.400 0.007 0.000 0.809 349 E CB -0.470 29.229 29.700 -0.001 0.000 0.756 349 E HN 0.647 nan 8.360 nan 0.000 0.459 350 L N -0.030 121.216 121.223 0.038 0.000 2.217 350 L HA -0.025 4.315 4.340 0.001 0.000 0.211 350 L C 2.462 179.314 176.870 -0.030 0.000 1.107 350 L CA 1.124 55.984 54.840 0.033 0.000 0.783 350 L CB -0.248 41.888 42.059 0.129 0.000 0.919 350 L HN 0.083 nan 8.230 nan 0.000 0.442 351 K N -0.384 119.995 120.400 -0.035 0.000 2.167 351 K HA -0.042 4.278 4.320 0.001 0.000 0.203 351 K C 2.179 178.720 176.600 -0.099 0.000 1.052 351 K CA 0.840 57.102 56.287 -0.042 0.000 0.956 351 K CB 0.201 32.689 32.500 -0.021 0.000 0.735 351 K HN 0.016 nan 8.250 nan 0.000 0.451 352 S N 0.860 116.482 115.700 -0.131 0.000 2.387 352 S HA -0.003 4.468 4.470 0.001 0.000 0.226 352 S C 1.189 175.617 174.600 -0.286 0.000 1.026 352 S CA 0.898 59.000 58.200 -0.164 0.000 0.972 352 S CB 0.007 63.123 63.200 -0.141 0.000 0.814 352 S HN 0.291 nan 8.310 nan 0.000 0.477 353 K N 0.974 121.092 120.400 -0.471 0.000 2.525 353 K HA 0.098 4.418 4.320 0.001 0.000 0.192 353 K C 0.934 177.034 176.600 -0.833 0.000 1.029 353 K CA 0.441 56.215 56.287 -0.856 0.000 1.029 353 K CB -0.292 31.260 32.500 -1.580 0.000 0.814 353 K HN 0.420 nan 8.250 nan 0.000 0.503 354 G N 1.442 110.004 108.800 -0.397 0.000 2.338 354 G HA2 -0.195 3.766 3.960 0.001 0.000 0.296 354 G HA3 -0.195 3.766 3.960 0.001 0.000 0.296 354 G C 0.101 175.003 174.900 0.003 0.000 1.040 354 G CA 0.083 45.083 45.100 -0.167 0.000 1.004 354 G HN 0.376 nan 8.290 nan 0.000 0.509 355 W N -1.392 119.872 121.300 -0.059 0.000 2.893 355 W HA 0.476 5.136 4.660 0.001 0.000 0.253 355 W C 1.125 177.622 176.519 -0.037 0.000 1.171 355 W CA 0.692 58.007 57.345 -0.050 0.000 1.480 355 W CB 0.044 29.461 29.460 -0.072 0.000 0.963 355 W HN 0.812 nan 8.180 nan 0.000 0.637 356 V N -0.650 119.378 119.914 0.190 0.000 3.114 356 V HA 0.536 4.656 4.120 0.001 0.000 0.308 356 V C 0.195 176.315 176.094 0.043 0.000 1.168 356 V CA -0.702 61.649 62.300 0.085 0.000 1.015 356 V CB 2.157 34.013 31.823 0.055 0.000 1.050 356 V HN -0.025 nan 8.190 nan 0.000 0.433 357 N N 1.108 119.817 118.700 0.015 0.000 2.460 357 N HA 0.153 4.893 4.740 0.001 0.000 0.193 357 N C 0.509 176.007 175.510 -0.020 0.000 1.080 357 N CA 1.175 54.226 53.050 0.002 0.000 0.869 357 N CB 0.863 39.355 38.487 0.007 0.000 1.201 357 N HN 1.012 nan 8.380 nan 0.000 0.457 358 T N -1.152 113.384 114.554 -0.030 0.000 2.903 358 T HA 0.711 5.061 4.350 0.001 0.000 0.299 358 T C -0.843 173.819 174.700 -0.064 0.000 1.093 358 T CA -0.795 61.276 62.100 -0.048 0.000 1.002 358 T CB 2.483 71.328 68.868 -0.038 0.000 1.127 358 T HN 0.020 nan 8.240 nan 0.000 0.488 359 L N 2.258 123.433 121.223 -0.080 0.000 2.493 359 L HA 0.793 5.133 4.340 0.001 0.000 0.265 359 L C -1.259 175.557 176.870 -0.091 0.000 0.954 359 L CA -0.963 53.822 54.840 -0.093 0.000 0.844 359 L CB 1.827 43.820 42.059 -0.109 0.000 1.302 359 L HN 0.908 nan 8.230 nan 0.000 0.405 360 V N 2.044 121.911 119.914 -0.077 0.000 2.680 360 V HA 1.080 5.200 4.120 0.001 0.000 0.309 360 V C -0.380 175.663 176.094 -0.085 0.000 1.052 360 V CA 0.455 62.713 62.300 -0.070 0.000 0.908 360 V CB 1.556 33.351 31.823 -0.045 0.000 1.001 360 V HN 0.916 nan 8.190 nan 0.000 0.431 361 G N 1.528 110.264 108.800 -0.106 0.000 2.692 361 G HA2 0.950 4.910 3.960 0.001 0.000 0.291 361 G HA3 0.950 4.910 3.960 0.001 0.000 0.291 361 G C -0.219 174.525 174.900 -0.259 0.000 1.423 361 G CA -0.076 44.922 45.100 -0.169 0.000 0.843 361 G HN 2.189 nan 8.290 nan 0.000 0.486 362 G N -0.823 107.576 108.800 -0.668 0.000 2.316 362 G HA2 0.439 4.399 3.960 0.001 0.000 0.349 362 G HA3 0.439 4.399 3.960 0.001 0.000 0.349 362 G C -0.523 173.852 174.900 -0.874 0.000 1.274 362 G CA -0.014 44.663 45.100 -0.706 0.000 1.018 362 G HN 1.293 nan 8.290 nan 0.000 0.486 363 Q N -0.205 119.440 119.800 -0.258 0.000 2.259 363 Q HA 0.671 5.011 4.340 0.001 0.000 0.246 363 Q C -0.364 175.659 176.000 0.038 0.000 0.920 363 Q CA -0.436 55.369 55.803 0.004 0.000 0.895 363 Q CB 2.036 30.910 28.738 0.228 0.000 1.220 363 Q HN 0.659 nan 8.270 nan 0.000 0.439 364 K N 2.075 122.563 120.400 0.147 0.000 2.270 364 K HA 0.243 4.563 4.320 0.001 0.000 0.255 364 K C -0.725 176.025 176.600 0.249 0.000 0.936 364 K CA -0.490 55.905 56.287 0.179 0.000 0.809 364 K CB 1.696 34.323 32.500 0.212 0.000 1.131 364 K HN 0.663 nan 8.250 nan 0.000 0.427 365 E N 1.320 121.619 120.200 0.164 0.000 2.422 365 E HA 0.054 4.404 4.350 0.001 0.000 0.260 365 E C 0.177 176.902 176.600 0.209 0.000 1.108 365 E CA 0.287 56.757 56.400 0.117 0.000 0.943 365 E CB 1.081 30.812 29.700 0.051 0.000 0.961 365 E HN 0.856 nan 8.360 nan 0.000 0.443 366 G N 0.422 109.196 108.800 -0.044 0.000 2.581 366 G HA2 0.599 4.559 3.960 0.001 0.000 0.194 366 G HA3 0.599 4.559 3.960 0.001 0.000 0.194 366 G C -0.700 173.818 174.900 -0.636 0.000 1.814 366 G CA 0.599 45.545 45.100 -0.256 0.000 0.745 366 G HN 0.664 nan 8.290 nan 0.000 0.802 367 A N -0.883 121.133 122.820 -1.340 0.000 2.535 367 A HA 0.745 5.065 4.320 0.001 0.000 0.296 367 A C -0.731 176.627 177.584 -0.377 0.000 1.248 367 A CA -0.710 50.935 52.037 -0.652 0.000 0.686 367 A CB 0.418 19.012 19.000 -0.677 0.000 1.315 367 A HN 0.338 nan 8.150 nan 0.000 0.460 368 R N -0.130 120.390 120.500 0.032 0.000 2.473 368 R HA 0.353 4.693 4.340 0.001 0.000 0.315 368 R C 1.093 177.461 176.300 0.112 0.000 0.972 368 R CA 1.437 57.589 56.100 0.087 0.000 1.047 368 R CB -0.121 30.248 30.300 0.115 0.000 0.932 368 R HN 1.714 nan 8.270 nan 0.000 0.411 369 G N 2.828 111.656 108.800 0.047 0.000 2.339 369 G HA2 -0.245 3.716 3.960 0.001 0.000 0.209 369 G HA3 -0.245 3.716 3.960 0.001 0.000 0.209 369 G C -0.227 174.781 174.900 0.180 0.000 1.015 369 G CA -0.009 45.177 45.100 0.144 0.000 0.635 369 G HN 0.622 nan 8.290 nan 0.000 0.499 370 F N -0.748 119.156 119.950 -0.076 0.000 2.613 370 F HA 0.921 5.449 4.527 0.001 0.000 0.310 370 F C -0.529 175.061 175.800 -0.350 0.000 1.085 370 F CA -1.616 56.212 58.000 -0.287 0.000 0.945 370 F CB 1.338 39.895 39.000 -0.738 0.000 1.298 370 F HN 0.176 nan 8.300 nan 0.000 0.455 371 M N 1.445 120.934 119.600 -0.184 0.000 2.843 371 M HA 0.650 5.130 4.480 0.001 0.000 0.273 371 M C -1.919 174.147 176.300 -0.389 0.000 1.286 371 M CA -0.541 54.609 55.300 -0.251 0.000 0.807 371 M CB 3.190 35.801 32.600 0.018 0.000 1.684 371 M HN 0.676 nan 8.290 nan 0.000 0.458 372 F N -0.062 120.061 119.950 0.288 0.000 2.588 372 F HA 0.653 5.180 4.527 0.001 0.000 0.314 372 F C -1.158 174.854 175.800 0.353 0.000 1.069 372 F CA -0.619 57.579 58.000 0.330 0.000 0.931 372 F CB 1.724 40.876 39.000 0.253 0.000 1.260 372 F HN 0.284 nan 8.300 nan 0.000 0.465 373 F N 3.520 123.748 119.950 0.464 0.000 2.529 373 F HA 0.754 5.281 4.527 0.001 0.000 0.320 373 F C -1.007 175.032 175.800 0.398 0.000 1.118 373 F CA -1.111 57.111 58.000 0.370 0.000 0.915 373 F CB 1.252 40.440 39.000 0.313 0.000 1.161 373 F HN 0.321 nan 8.300 nan 0.000 0.445 374 I N 4.585 125.128 120.570 -0.046 0.000 2.608 374 I HA 0.660 4.830 4.170 0.001 0.000 0.295 374 I C -1.503 174.602 176.117 -0.019 0.000 1.049 374 I CA -0.885 60.452 61.300 0.062 0.000 1.063 374 I CB 2.050 40.073 38.000 0.038 0.000 1.248 374 I HN 0.423 nan 8.210 nan 0.000 0.424 375 I N 4.928 125.542 120.570 0.073 0.000 2.439 375 I HA 0.478 4.649 4.170 0.001 0.000 0.285 375 I C -1.054 175.042 176.117 -0.034 0.000 1.021 375 I CA -0.540 60.763 61.300 0.006 0.000 1.091 375 I CB 1.429 39.442 38.000 0.021 0.000 1.242 375 I HN 0.566 nan 8.210 nan 0.000 0.439 376 N N 6.277 124.943 118.700 -0.056 0.000 2.296 376 N HA 0.608 5.348 4.740 0.001 0.000 0.294 376 N C -0.791 174.624 175.510 -0.158 0.000 1.033 376 N CA -0.433 52.549 53.050 -0.113 0.000 0.839 376 N CB 2.977 41.456 38.487 -0.013 0.000 1.395 376 N HN 0.401 nan 8.380 nan 0.000 0.479 377 V N -1.603 118.180 119.914 -0.219 0.000 3.001 377 V HA 0.661 4.782 4.120 0.001 0.000 0.314 377 V C -0.076 175.896 176.094 -0.203 0.000 1.099 377 V CA -1.044 61.159 62.300 -0.163 0.000 0.989 377 V CB 2.073 33.834 31.823 -0.103 0.000 1.040 377 V HN 0.614 nan 8.190 nan 0.000 0.434 378 D N 1.971 122.297 120.400 -0.124 0.000 2.451 378 D HA 0.528 5.169 4.640 0.001 0.000 0.259 378 D C -0.605 175.664 176.300 -0.053 0.000 1.201 378 D CA -0.624 53.319 54.000 -0.096 0.000 1.028 378 D CB 1.604 42.373 40.800 -0.051 0.000 1.095 378 D HN 0.626 nan 8.370 nan 0.000 0.539 379 L N 0.186 121.392 121.223 -0.028 0.000 2.476 379 L HA 0.286 4.626 4.340 0.001 0.000 0.269 379 L C 0.213 177.097 176.870 0.023 0.000 0.965 379 L CA -0.954 53.885 54.840 -0.002 0.000 0.845 379 L CB 2.126 44.170 42.059 -0.026 0.000 1.259 379 L HN 0.590 nan 8.230 nan 0.000 0.403 380 T N -2.194 112.397 114.554 0.063 0.000 2.860 380 T HA 0.140 4.491 4.350 0.001 0.000 0.299 380 T C 0.991 175.732 174.700 0.068 0.000 1.045 380 T CA -0.463 61.680 62.100 0.072 0.000 1.071 380 T CB 1.157 70.092 68.868 0.111 0.000 0.985 380 T HN 0.673 nan 8.240 nan 0.000 0.537 381 E N 0.331 120.564 120.200 0.055 0.000 2.114 381 E HA -0.240 4.110 4.350 0.001 0.000 0.199 381 E C 1.980 178.629 176.600 0.081 0.000 1.008 381 E CA 1.566 57.992 56.400 0.044 0.000 0.810 381 E CB -0.130 29.591 29.700 0.035 0.000 0.739 381 E HN 0.821 nan 8.360 nan 0.000 0.456 382 E N 0.414 120.699 120.200 0.142 0.000 2.031 382 E HA -0.133 4.217 4.350 0.001 0.000 0.193 382 E C 2.152 178.898 176.600 0.243 0.000 0.994 382 E CA 1.611 58.158 56.400 0.244 0.000 0.800 382 E CB -0.762 29.112 29.700 0.290 0.000 0.752 382 E HN 0.252 nan 8.360 nan 0.000 0.447 383 G N 0.982 109.907 108.800 0.208 0.000 2.469 383 G HA2 -0.270 3.690 3.960 0.001 0.000 0.220 383 G HA3 -0.270 3.690 3.960 0.001 0.000 0.220 383 G C 1.471 176.306 174.900 -0.109 0.000 1.136 383 G CA 1.102 46.175 45.100 -0.046 0.000 0.759 383 G HN 0.367 nan 8.290 nan 0.000 0.562 384 L N 0.401 121.607 121.223 -0.029 0.000 2.083 384 L HA 0.121 4.461 4.340 0.001 0.000 0.209 384 L C 2.442 179.274 176.870 -0.064 0.000 1.083 384 L CA 1.340 56.152 54.840 -0.047 0.000 0.752 384 L CB -0.753 41.276 42.059 -0.049 0.000 0.899 384 L HN 0.219 nan 8.230 nan 0.000 0.433 385 L N -1.162 120.035 121.223 -0.042 0.000 2.551 385 L HA -0.115 4.225 4.340 0.001 0.000 0.228 385 L C 0.725 177.410 176.870 -0.308 0.000 1.153 385 L CA 0.646 55.422 54.840 -0.106 0.000 0.851 385 L CB -0.371 41.676 42.059 -0.020 0.000 0.959 385 L HN 0.386 nan 8.230 nan 0.000 0.451 386 H N -2.853 116.042 119.070 -0.292 0.000 2.562 386 H HA 0.165 4.722 4.556 0.001 0.000 0.249 386 H C 1.224 176.254 175.328 -0.497 0.000 1.195 386 H CA -0.215 55.530 56.048 -0.504 0.000 0.938 386 H CB 0.586 29.719 29.762 -1.048 0.000 1.891 386 H HN -0.120 nan 8.280 nan 0.000 0.595 387 V N 0.041 119.847 119.914 -0.180 0.000 2.270 387 V HA -0.236 3.884 4.120 0.001 0.000 0.245 387 V C 2.398 178.508 176.094 0.026 0.000 1.043 387 V CA 2.242 64.489 62.300 -0.089 0.000 1.014 387 V CB -0.055 31.764 31.823 -0.007 0.000 0.645 387 V HN 0.604 nan 8.190 nan 0.000 0.447 388 E N -0.046 120.227 120.200 0.121 0.000 2.086 388 E HA -0.326 4.025 4.350 0.001 0.000 0.200 388 E C 1.855 178.673 176.600 0.363 0.000 1.012 388 E CA 2.025 58.634 56.400 0.347 0.000 0.812 388 E CB -0.130 29.710 29.700 0.234 0.000 0.743 388 E HN 0.612 nan 8.360 nan 0.000 0.453 389 D N 0.217 120.711 120.400 0.157 0.000 2.084 389 D HA -0.166 4.474 4.640 0.001 0.000 0.194 389 D C 2.114 178.544 176.300 0.216 0.000 0.990 389 D CA 1.213 55.333 54.000 0.200 0.000 0.826 389 D CB -0.325 40.477 40.800 0.004 0.000 0.971 389 D HN 0.320 nan 8.370 nan 0.000 0.453 390 I N 0.850 121.376 120.570 -0.074 0.000 2.118 390 I HA -0.291 3.879 4.170 0.001 0.000 0.241 390 I C 2.506 178.664 176.117 0.068 0.000 1.070 390 I CA 0.934 62.243 61.300 0.014 0.000 1.327 390 I CB -0.248 37.696 38.000 -0.094 0.000 1.034 390 I HN -0.027 nan 8.210 nan 0.000 0.405 391 I N -0.013 120.532 120.570 -0.042 0.000 2.163 391 I HA -0.325 3.845 4.170 0.001 0.000 0.243 391 I C 2.532 178.488 176.117 -0.267 0.000 1.085 391 I CA 1.303 62.424 61.300 -0.299 0.000 1.347 391 I CB -0.312 37.362 38.000 -0.544 0.000 1.044 391 I HN 0.232 nan 8.210 nan 0.000 0.408 392 L N 0.350 121.593 121.223 0.034 0.000 2.013 392 L HA -0.322 4.019 4.340 0.001 0.000 0.212 392 L C 2.614 179.634 176.870 0.249 0.000 1.073 392 L CA 2.062 57.069 54.840 0.278 0.000 0.753 392 L CB -0.875 41.476 42.059 0.488 0.000 0.890 392 L HN 0.301 nan 8.230 nan 0.000 0.432 393 H N -1.308 117.897 119.070 0.224 0.000 2.421 393 H HA -0.147 4.409 4.556 0.001 0.000 0.298 393 H C 2.191 177.583 175.328 0.108 0.000 1.087 393 H CA 1.924 58.151 56.048 0.298 0.000 1.330 393 H CB -0.004 30.003 29.762 0.408 0.000 1.388 393 H HN 0.443 nan 8.280 nan 0.000 0.526 394 M N -0.296 119.327 119.600 0.039 0.000 2.066 394 M HA -0.155 4.325 4.480 0.001 0.000 0.259 394 M C 2.163 178.370 176.300 -0.156 0.000 1.074 394 M CA 1.715 56.909 55.300 -0.177 0.000 1.114 394 M CB -0.550 31.814 32.600 -0.392 0.000 1.306 394 M HN 0.097 nan 8.290 nan 0.000 0.411 395 F N 0.508 120.449 119.950 -0.016 0.000 2.154 395 F HA -0.295 4.232 4.527 0.001 0.000 0.301 395 F C 2.630 178.442 175.800 0.019 0.000 1.087 395 F CA 1.294 59.296 58.000 0.004 0.000 1.274 395 F CB -0.526 38.475 39.000 0.003 0.000 1.009 395 F HN 0.260 nan 8.300 nan 0.000 0.485 396 Q N -0.799 119.125 119.800 0.206 0.000 2.061 396 Q HA -0.278 4.063 4.340 0.001 0.000 0.204 396 Q C 2.063 178.071 176.000 0.014 0.000 0.984 396 Q CA 2.135 58.028 55.803 0.149 0.000 0.846 396 Q CB -0.515 28.357 28.738 0.224 0.000 0.902 396 Q HN 0.541 nan 8.270 nan 0.000 0.421 397 Y N 0.620 120.702 120.300 -0.364 0.000 2.165 397 Y HA -0.256 4.294 4.550 0.001 0.000 0.286 397 Y C 1.872 177.649 175.900 -0.205 0.000 1.155 397 Y CA 1.554 59.325 58.100 -0.548 0.000 1.164 397 Y CB -0.033 37.966 38.460 -0.769 0.000 0.978 397 Y HN 0.064 nan 8.280 nan 0.000 0.513 398 I N -0.265 120.338 120.570 0.056 0.000 2.226 398 I HA -0.335 3.835 4.170 0.001 0.000 0.245 398 I C 2.474 178.591 176.117 -0.001 0.000 1.100 398 I CA 1.150 62.480 61.300 0.050 0.000 1.374 398 I CB -0.499 37.550 38.000 0.082 0.000 1.057 398 I HN 0.249 nan 8.210 nan 0.000 0.413 399 Q N 0.854 120.673 119.800 0.032 0.000 2.077 399 Q HA -0.292 4.049 4.340 0.001 0.000 0.206 399 Q C 2.174 178.156 176.000 -0.030 0.000 0.989 399 Q CA 1.849 57.664 55.803 0.020 0.000 0.853 399 Q CB -0.375 28.398 28.738 0.059 0.000 0.907 399 Q HN 0.336 nan 8.270 nan 0.000 0.418 400 K N 0.317 120.664 120.400 -0.089 0.000 2.074 400 K HA -0.127 4.193 4.320 0.001 0.000 0.209 400 K C 2.133 178.658 176.600 -0.127 0.000 1.048 400 K CA 1.245 57.459 56.287 -0.122 0.000 0.926 400 K CB -0.400 31.966 32.500 -0.225 0.000 0.713 400 K HN 0.192 nan 8.250 nan 0.000 0.444 401 L N -0.331 120.790 121.223 -0.170 0.000 2.027 401 L HA -0.097 4.243 4.340 0.001 0.000 0.206 401 L C 2.734 179.593 176.870 -0.018 0.000 1.074 401 L CA 1.438 56.227 54.840 -0.085 0.000 0.745 401 L CB -0.430 41.598 42.059 -0.051 0.000 0.898 401 L HN 0.187 nan 8.230 nan 0.000 0.433 402 R N 0.447 120.934 120.500 -0.022 0.000 2.083 402 R HA -0.163 4.177 4.340 0.001 0.000 0.237 402 R C 2.126 178.423 176.300 -0.005 0.000 1.137 402 R CA 1.632 57.724 56.100 -0.012 0.000 0.951 402 R CB -0.358 29.934 30.300 -0.013 0.000 0.851 402 R HN 0.354 nan 8.270 nan 0.000 0.434 403 A N 0.432 123.248 122.820 -0.006 0.000 2.239 403 A HA -0.087 4.234 4.320 0.001 0.000 0.209 403 A C 0.666 178.257 177.584 0.011 0.000 1.171 403 A CA 1.320 53.359 52.037 0.003 0.000 0.768 403 A CB -0.294 18.709 19.000 0.005 0.000 0.790 403 A HN 0.667 nan 8.150 nan 0.000 0.478 404 E N -1.991 118.220 120.200 0.017 0.000 2.794 404 E HA 0.381 4.732 4.350 0.001 0.000 0.203 404 E C 0.630 177.264 176.600 0.058 0.000 0.953 404 E CA -0.192 56.231 56.400 0.038 0.000 1.284 404 E CB -0.765 28.964 29.700 0.047 0.000 1.077 404 E HN 0.700 nan 8.360 nan 0.000 0.508 405 G N 3.001 111.829 108.800 0.047 0.000 3.147 405 G HA2 -0.232 3.729 3.960 0.001 0.000 0.605 405 G HA3 -0.232 3.729 3.960 0.001 0.000 0.605 405 G C -2.303 172.661 174.900 0.108 0.000 1.632 405 G CA -0.468 44.663 45.100 0.052 0.000 1.148 405 G HN 0.107 nan 8.290 nan 0.000 0.587 406 P HA -0.018 nan 4.420 nan 0.000 0.257 406 P C -0.193 177.306 177.300 0.331 0.000 1.144 406 P CA 0.870 64.084 63.100 0.191 0.000 0.761 406 P CB 0.352 32.100 31.700 0.080 0.000 0.734 407 Q N 2.684 122.643 119.800 0.265 0.000 2.431 407 Q HA 0.090 4.431 4.340 0.001 0.000 0.249 407 Q C 1.136 176.980 176.000 -0.260 0.000 1.025 407 Q CA -0.172 55.669 55.803 0.064 0.000 0.835 407 Q CB 1.295 29.980 28.738 -0.087 0.000 1.207 407 Q HN 0.532 nan 8.270 nan 0.000 0.490 408 E N 4.343 124.316 120.200 -0.379 0.000 2.110 408 E HA -0.164 4.186 4.350 0.001 0.000 0.193 408 E C 1.441 177.839 176.600 -0.337 0.000 0.988 408 E CA 1.434 57.325 56.400 -0.849 0.000 0.804 408 E CB 0.083 29.498 29.700 -0.475 0.000 0.745 408 E HN 0.764 nan 8.360 nan 0.000 0.458 409 W N 0.407 121.631 121.300 -0.127 0.000 2.321 409 W HA -0.205 4.456 4.660 0.001 0.000 0.306 409 W C 1.484 177.990 176.519 -0.022 0.000 1.217 409 W CA 0.788 58.105 57.345 -0.047 0.000 1.257 409 W CB -1.088 28.364 29.460 -0.014 0.000 1.145 409 W HN -0.056 nan 8.180 nan 0.000 0.509 410 V N 1.922 121.213 119.914 -1.040 0.000 2.223 410 V HA -0.333 3.787 4.120 0.001 0.000 0.244 410 V C 2.435 178.303 176.094 -0.378 0.000 1.045 410 V CA 2.632 64.348 62.300 -0.974 0.000 1.000 410 V CB -1.483 29.766 31.823 -0.957 0.000 0.635 410 V HN 0.199 nan 8.190 nan 0.000 0.445 411 F N 0.744 120.495 119.950 -0.331 0.000 2.087 411 F HA -0.346 4.181 4.527 0.001 0.000 0.299 411 F C 2.585 178.285 175.800 -0.167 0.000 1.100 411 F CA 2.508 60.392 58.000 -0.192 0.000 1.226 411 F CB -0.282 38.517 39.000 -0.334 0.000 0.983 411 F HN 0.159 nan 8.300 nan 0.000 0.479 412 Q N 0.956 120.776 119.800 0.034 0.000 2.061 412 Q HA -0.257 4.083 4.340 0.001 0.000 0.204 412 Q C 2.208 178.184 176.000 -0.040 0.000 0.984 412 Q CA 2.292 58.120 55.803 0.041 0.000 0.846 412 Q CB -0.648 28.148 28.738 0.096 0.000 0.902 412 Q HN 0.661 nan 8.270 nan 0.000 0.421 413 E N -1.040 119.144 120.200 -0.027 0.000 2.070 413 E HA -0.213 4.138 4.350 0.001 0.000 0.197 413 E C 1.676 178.219 176.600 -0.095 0.000 1.004 413 E CA 1.278 57.675 56.400 -0.005 0.000 0.805 413 E CB -0.095 29.637 29.700 0.053 0.000 0.744 413 E HN 0.270 nan 8.360 nan 0.000 0.451 414 L N 1.307 122.391 121.223 -0.233 0.000 2.017 414 L HA -0.180 4.161 4.340 0.001 0.000 0.208 414 L C 2.373 179.104 176.870 -0.231 0.000 1.073 414 L CA 1.819 56.502 54.840 -0.263 0.000 0.745 414 L CB -1.035 40.790 42.059 -0.389 0.000 0.894 414 L HN 0.090 nan 8.230 nan 0.000 0.432 415 K N -0.361 119.820 120.400 -0.367 0.000 2.015 415 K HA -0.233 4.087 4.320 0.001 0.000 0.216 415 K C 1.841 178.386 176.600 -0.092 0.000 1.052 415 K CA 2.048 58.177 56.287 -0.262 0.000 0.937 415 K CB -0.167 32.172 32.500 -0.270 0.000 0.719 415 K HN 0.304 nan 8.250 nan 0.000 0.446 416 D N 0.319 120.689 120.400 -0.050 0.000 2.149 416 D HA -0.162 4.478 4.640 0.001 0.000 0.198 416 D C 1.940 178.258 176.300 0.031 0.000 0.990 416 D CA 0.931 54.936 54.000 0.009 0.000 0.839 416 D CB 0.007 40.828 40.800 0.035 0.000 0.948 416 D HN 0.143 nan 8.370 nan 0.000 0.460 417 L N 1.381 122.621 121.223 0.027 0.000 2.044 417 L HA -0.093 4.248 4.340 0.001 0.000 0.205 417 L C 1.821 178.747 176.870 0.092 0.000 1.075 417 L CA 1.376 56.256 54.840 0.067 0.000 0.747 417 L CB -0.933 41.161 42.059 0.058 0.000 0.903 417 L HN -0.092 nan 8.230 nan 0.000 0.435 418 N N 0.002 118.736 118.700 0.058 0.000 2.094 418 N HA -0.190 4.551 4.740 0.001 0.000 0.191 418 N C 1.844 177.459 175.510 0.174 0.000 1.023 418 N CA 1.580 54.691 53.050 0.102 0.000 0.857 418 N CB -0.516 37.976 38.487 0.008 0.000 1.013 418 N HN 0.422 nan 8.380 nan 0.000 0.426 419 A N 0.494 123.367 122.820 0.089 0.000 1.892 419 A HA -0.162 4.158 4.320 0.001 0.000 0.218 419 A C 2.424 180.050 177.584 0.070 0.000 1.188 419 A CA 2.035 54.121 52.037 0.082 0.000 0.631 419 A CB -0.950 18.064 19.000 0.024 0.000 0.822 419 A HN 0.127 nan 8.150 nan 0.000 0.447 420 V N -0.281 119.655 119.914 0.036 0.000 2.307 420 V HA -0.183 3.937 4.120 0.001 0.000 0.245 420 V C 3.033 179.213 176.094 0.143 0.000 1.045 420 V CA 1.812 64.100 62.300 -0.020 0.000 1.024 420 V CB -1.601 30.231 31.823 0.015 0.000 0.651 420 V HN 0.625 nan 8.190 nan 0.000 0.449 421 A N 0.046 123.033 122.820 0.277 0.000 1.903 421 A HA -0.303 4.017 4.320 0.001 0.000 0.219 421 A C 2.148 179.933 177.584 0.334 0.000 1.191 421 A CA 2.441 54.720 52.037 0.403 0.000 0.638 421 A CB -0.837 18.396 19.000 0.389 0.000 0.823 421 A HN 0.533 nan 8.150 nan 0.000 0.451 422 F N 0.524 120.538 119.950 0.107 0.000 2.146 422 F HA -0.115 4.412 4.527 0.001 0.000 0.298 422 F C 2.293 177.907 175.800 -0.310 0.000 1.096 422 F CA 1.904 59.742 58.000 -0.272 0.000 1.275 422 F CB -0.392 38.475 39.000 -0.223 0.000 1.008 422 F HN 0.242 nan 8.300 nan 0.000 0.480 423 R N -0.272 119.952 120.500 -0.459 0.000 2.096 423 R HA -0.189 4.151 4.340 0.001 0.000 0.240 423 R C 1.280 177.100 176.300 -0.800 0.000 1.139 423 R CA 2.295 57.917 56.100 -0.797 0.000 0.952 423 R CB -0.792 28.884 30.300 -1.039 0.000 0.854 423 R HN 0.365 nan 8.270 nan 0.000 0.436 424 F N 0.640 120.494 119.950 -0.160 0.000 2.684 424 F HA 0.308 4.835 4.527 0.001 0.000 0.298 424 F C 0.226 175.984 175.800 -0.069 0.000 1.120 424 F CA -0.797 57.169 58.000 -0.057 0.000 1.332 424 F CB 0.315 39.396 39.000 0.136 0.000 0.986 424 F HN -0.104 nan 8.300 nan 0.000 0.524 425 K N 1.737 122.099 120.400 -0.064 0.000 2.524 425 K HA -0.054 4.267 4.320 0.001 0.000 0.279 425 K C -0.135 176.404 176.600 -0.100 0.000 0.993 425 K CA -0.097 56.134 56.287 -0.094 0.000 1.030 425 K CB 0.368 32.698 32.500 -0.283 0.000 0.891 425 K HN 0.026 nan 8.250 nan 0.000 0.488 426 D N 3.301 123.641 120.400 -0.101 0.000 2.399 426 D HA -0.015 4.626 4.640 0.001 0.000 0.241 426 D C -0.105 176.086 176.300 -0.181 0.000 1.133 426 D CA 0.215 54.121 54.000 -0.156 0.000 0.890 426 D CB 0.770 41.452 40.800 -0.195 0.000 1.201 426 D HN 0.354 nan 8.370 nan 0.000 0.432 427 K N 1.785 122.082 120.400 -0.171 0.000 2.412 427 K HA 0.014 4.334 4.320 0.001 0.000 0.284 427 K C -0.227 176.239 176.600 -0.224 0.000 1.046 427 K CA -0.275 55.899 56.287 -0.188 0.000 0.999 427 K CB 0.422 32.868 32.500 -0.090 0.000 0.941 427 K HN 0.189 nan 8.250 nan 0.000 0.474 428 E N 2.539 122.532 120.200 -0.345 0.000 2.392 428 E HA 0.101 4.451 4.350 0.001 0.000 0.259 428 E C -0.307 176.190 176.600 -0.172 0.000 1.108 428 E CA -0.160 56.066 56.400 -0.290 0.000 0.916 428 E CB 0.526 29.953 29.700 -0.454 0.000 0.989 428 E HN 0.381 nan 8.360 nan 0.000 0.432 429 R N 2.081 122.528 120.500 -0.089 0.000 2.543 429 R HA 0.062 4.402 4.340 0.001 0.000 0.277 429 R C -1.585 174.724 176.300 0.015 0.000 1.074 429 R CA -1.303 54.778 56.100 -0.032 0.000 1.076 429 R CB 0.269 30.559 30.300 -0.017 0.000 0.993 429 R HN 0.421 nan 8.270 nan 0.000 0.459 430 P HA -0.201 nan 4.420 nan 0.000 0.213 430 P C 0.889 178.214 177.300 0.042 0.000 1.170 430 P CA 1.270 64.405 63.100 0.058 0.000 0.902 430 P CB 0.066 31.776 31.700 0.017 0.000 0.789 431 R N -0.428 120.083 120.500 0.017 0.000 2.112 431 R HA -0.158 4.183 4.340 0.001 0.000 0.242 431 R C 2.432 178.700 176.300 -0.054 0.000 1.137 431 R CA 2.325 58.432 56.100 0.012 0.000 0.944 431 R CB -1.397 28.954 30.300 0.086 0.000 0.857 431 R HN 0.194 nan 8.270 nan 0.000 0.435 432 G N -0.822 107.956 108.800 -0.036 0.000 2.440 432 G HA2 -0.320 3.641 3.960 0.001 0.000 0.218 432 G HA3 -0.320 3.641 3.960 0.001 0.000 0.218 432 G C 1.206 176.133 174.900 0.046 0.000 1.154 432 G CA 0.839 45.908 45.100 -0.051 0.000 0.767 432 G HN 0.395 nan 8.290 nan 0.000 0.552 433 Y N 2.591 122.856 120.300 -0.058 0.000 2.163 433 Y HA -0.151 4.399 4.550 0.001 0.000 0.288 433 Y C 3.256 179.142 175.900 -0.024 0.000 1.136 433 Y CA 1.820 59.906 58.100 -0.024 0.000 1.147 433 Y CB -0.820 37.638 38.460 -0.004 0.000 0.987 433 Y HN 0.322 nan 8.280 nan 0.000 0.509 434 T N -2.950 111.595 114.554 -0.014 0.000 2.708 434 T HA -0.229 4.121 4.350 0.001 0.000 0.266 434 T C 2.288 176.947 174.700 -0.068 0.000 1.037 434 T CA 1.729 63.765 62.100 -0.106 0.000 1.146 434 T CB -1.165 67.633 68.868 -0.115 0.000 0.865 434 T HN 0.297 nan 8.240 nan 0.000 0.435 435 S N 1.543 117.215 115.700 -0.048 0.000 2.353 435 S HA -0.199 4.272 4.470 0.001 0.000 0.222 435 S C 2.145 176.762 174.600 0.028 0.000 1.035 435 S CA 2.056 60.249 58.200 -0.012 0.000 1.025 435 S CB -0.588 62.464 63.200 -0.248 0.000 0.902 435 S HN 0.552 nan 8.310 nan 0.000 0.440 436 K N 1.294 121.700 120.400 0.010 0.000 2.034 436 K HA -0.095 4.225 4.320 0.001 0.000 0.214 436 K C 1.908 178.512 176.600 0.007 0.000 1.051 436 K CA 2.039 58.346 56.287 0.035 0.000 0.931 436 K CB -0.706 31.835 32.500 0.069 0.000 0.715 436 K HN 0.403 nan 8.250 nan 0.000 0.446 437 I N 0.862 121.389 120.570 -0.072 0.000 2.142 437 I HA -0.192 3.978 4.170 0.001 0.000 0.240 437 I C 2.376 178.459 176.117 -0.057 0.000 1.078 437 I CA 1.676 62.907 61.300 -0.115 0.000 1.343 437 I CB -1.766 36.071 38.000 -0.271 0.000 1.046 437 I HN 0.289 nan 8.210 nan 0.000 0.405 438 A N 1.046 123.836 122.820 -0.051 0.000 2.032 438 A HA -0.160 4.160 4.320 0.001 0.000 0.221 438 A C 2.467 180.072 177.584 0.034 0.000 1.165 438 A CA 2.007 54.026 52.037 -0.031 0.000 0.645 438 A CB -1.329 17.679 19.000 0.012 0.000 0.807 438 A HN 0.492 nan 8.150 nan 0.000 0.453 439 G N 0.322 109.168 108.800 0.076 0.000 2.403 439 G HA2 -0.049 3.912 3.960 0.001 0.000 0.216 439 G HA3 -0.049 3.912 3.960 0.001 0.000 0.216 439 G C 1.395 176.416 174.900 0.201 0.000 1.154 439 G CA 1.020 46.188 45.100 0.113 0.000 0.784 439 G HN 0.834 nan 8.290 nan 0.000 0.538 440 I N -2.037 118.626 120.570 0.155 0.000 3.860 440 I HA 0.331 4.501 4.170 0.001 0.000 0.319 440 I C 2.064 178.326 176.117 0.242 0.000 1.279 440 I CA -0.008 61.455 61.300 0.272 0.000 1.220 440 I CB -0.112 38.036 38.000 0.247 0.000 1.027 440 I HN -0.029 nan 8.210 nan 0.000 0.428 441 L N 1.285 122.541 121.223 0.055 0.000 2.263 441 L HA -0.181 4.160 4.340 0.001 0.000 0.216 441 L C 2.304 179.076 176.870 -0.163 0.000 1.111 441 L CA 1.212 56.000 54.840 -0.087 0.000 0.773 441 L CB -0.755 41.179 42.059 -0.209 0.000 0.906 441 L HN 0.445 nan 8.230 nan 0.000 0.439 442 H N -2.388 116.681 119.070 -0.001 0.000 2.547 442 H HA 0.000 4.557 4.556 0.001 0.000 0.266 442 H C 0.750 175.789 175.328 -0.481 0.000 0.988 442 H CA 0.752 56.685 56.048 -0.193 0.000 1.147 442 H CB 0.365 30.014 29.762 -0.188 0.000 1.365 442 H HN 0.432 nan 8.280 nan 0.000 0.589 443 Y N -1.627 118.554 120.300 -0.199 0.000 2.441 443 Y HA 0.134 4.684 4.550 0.001 0.000 0.266 443 Y C -0.375 174.916 175.900 -1.016 0.000 1.093 443 Y CA -0.275 57.439 58.100 -0.643 0.000 1.246 443 Y CB 1.035 38.926 38.460 -0.950 0.000 1.262 443 Y HN -0.072 nan 8.280 nan 0.000 0.518 444 Y N -0.078 120.209 120.300 -0.021 0.000 2.470 444 Y HA 0.498 5.049 4.550 0.001 0.000 0.341 444 Y C -2.579 173.296 175.900 -0.041 0.000 1.021 444 Y CA -3.877 54.169 58.100 -0.091 0.000 1.025 444 Y CB 0.699 39.085 38.460 -0.125 0.000 1.266 444 Y HN -0.221 nan 8.280 nan 0.000 0.448 445 P HA -0.039 nan 4.420 nan 0.000 0.266 445 P C 0.761 178.092 177.300 0.053 0.000 1.186 445 P CA 0.026 63.169 63.100 0.071 0.000 0.767 445 P CB 0.764 32.514 31.700 0.084 0.000 0.820 446 L N 2.168 123.401 121.223 0.017 0.000 2.081 446 L HA -0.178 4.162 4.340 0.001 0.000 0.212 446 L C 1.851 178.711 176.870 -0.016 0.000 1.080 446 L CA 2.020 56.856 54.840 -0.007 0.000 0.754 446 L CB -1.818 40.230 42.059 -0.017 0.000 0.893 446 L HN 0.422 nan 8.230 nan 0.000 0.433 447 E N 0.396 120.596 120.200 -0.001 0.000 2.204 447 E HA -0.159 4.191 4.350 0.001 0.000 0.194 447 E C 1.240 177.822 176.600 -0.031 0.000 0.989 447 E CA 0.800 57.193 56.400 -0.011 0.000 0.824 447 E CB -0.062 29.649 29.700 0.019 0.000 0.756 447 E HN 0.562 nan 8.360 nan 0.000 0.477 448 E N -0.619 119.572 120.200 -0.014 0.000 2.651 448 E HA 0.039 4.390 4.350 0.001 0.000 0.208 448 E C 1.273 177.819 176.600 -0.090 0.000 0.997 448 E CA 0.029 56.401 56.400 -0.046 0.000 1.020 448 E CB 0.801 30.505 29.700 0.007 0.000 1.052 448 E HN 0.137 nan 8.360 nan 0.000 0.465 449 V N -1.520 118.354 119.914 -0.066 0.000 2.270 449 V HA -0.200 3.921 4.120 0.001 0.000 0.245 449 V C 1.924 177.945 176.094 -0.122 0.000 1.043 449 V CA 0.861 63.126 62.300 -0.059 0.000 1.014 449 V CB -0.393 31.408 31.823 -0.036 0.000 0.645 449 V HN 0.207 nan 8.190 nan 0.000 0.447 450 L N 1.886 123.021 121.223 -0.147 0.000 2.189 450 L HA -0.112 4.228 4.340 0.001 0.000 0.214 450 L C 2.653 179.458 176.870 -0.109 0.000 1.097 450 L CA 2.636 57.412 54.840 -0.107 0.000 0.764 450 L CB -1.486 40.453 42.059 -0.200 0.000 0.900 450 L HN 0.800 nan 8.230 nan 0.000 0.436 451 T N -5.515 108.886 114.554 -0.255 0.000 3.023 451 T HA 0.213 4.563 4.350 0.001 0.000 0.249 451 T C 1.934 176.398 174.700 -0.393 0.000 1.050 451 T CA 0.433 62.227 62.100 -0.509 0.000 1.088 451 T CB -0.224 68.358 68.868 -0.478 0.000 0.946 451 T HN 0.138 nan 8.240 nan 0.000 0.480 452 A N 2.395 124.974 122.820 -0.401 0.000 1.884 452 A HA -0.202 4.118 4.320 0.001 0.000 0.219 452 A C 2.176 179.499 177.584 -0.435 0.000 1.197 452 A CA 2.029 53.707 52.037 -0.598 0.000 0.637 452 A CB -0.909 17.128 19.000 -1.605 0.000 0.827 452 A HN 0.586 nan 8.150 nan 0.000 0.450 453 E N -2.570 117.430 120.200 -0.333 0.000 2.482 453 E HA -0.026 4.325 4.350 0.001 0.000 0.196 453 E C 1.252 177.732 176.600 -0.200 0.000 1.047 453 E CA 0.375 56.652 56.400 -0.205 0.000 0.869 453 E CB -0.059 29.561 29.700 -0.134 0.000 0.836 453 E HN 0.828 nan 8.360 nan 0.000 0.520 454 Y N -0.259 119.885 120.300 -0.259 0.000 2.265 454 Y HA 0.144 4.694 4.550 0.001 0.000 0.290 454 Y C 0.657 176.409 175.900 -0.247 0.000 1.137 454 Y CA -0.019 57.941 58.100 -0.233 0.000 1.147 454 Y CB 0.439 38.723 38.460 -0.293 0.000 1.104 454 Y HN -0.143 nan 8.280 nan 0.000 0.514 455 L N 2.026 123.151 121.223 -0.163 0.000 2.360 455 L HA 0.162 4.502 4.340 0.001 0.000 0.276 455 L C -0.640 176.181 176.870 -0.081 0.000 1.121 455 L CA 0.045 54.796 54.840 -0.148 0.000 0.845 455 L CB 0.493 42.416 42.059 -0.228 0.000 1.143 455 L HN 0.117 nan 8.230 nan 0.000 0.452 456 L N 2.614 123.799 121.223 -0.062 0.000 2.375 456 L HA 0.395 4.735 4.340 0.001 0.000 0.268 456 L C 0.324 177.242 176.870 0.081 0.000 1.058 456 L CA -0.284 54.556 54.840 -0.001 0.000 0.803 456 L CB 1.834 43.811 42.059 -0.138 0.000 1.212 456 L HN 0.609 nan 8.230 nan 0.000 0.451 457 E N 0.385 120.723 120.200 0.230 0.000 3.045 457 E HA 0.112 4.463 4.350 0.001 0.000 0.219 457 E C -0.923 175.843 176.600 0.277 0.000 1.168 457 E CA 0.029 56.542 56.400 0.189 0.000 1.067 457 E CB 0.495 30.234 29.700 0.065 0.000 2.714 457 E HN 0.618 nan 8.360 nan 0.000 0.562 458 E N 0.139 120.436 120.200 0.161 0.000 2.191 458 E HA 0.363 4.713 4.350 0.001 0.000 0.274 458 E C -1.000 175.455 176.600 -0.241 0.000 0.948 458 E CA -0.733 55.679 56.400 0.021 0.000 0.802 458 E CB 0.979 30.665 29.700 -0.023 0.000 1.137 458 E HN 0.105 nan 8.360 nan 0.000 0.397 459 F N 2.949 122.449 119.950 -0.751 0.000 2.471 459 F HA 0.291 4.818 4.527 0.001 0.000 0.365 459 F C -0.202 175.232 175.800 -0.610 0.000 1.095 459 F CA -0.706 56.557 58.000 -1.228 0.000 1.174 459 F CB 0.486 38.820 39.000 -1.111 0.000 1.105 459 F HN 0.297 nan 8.300 nan 0.000 0.535 460 R N 8.087 128.034 120.500 -0.921 0.000 2.505 460 R HA 0.206 4.546 4.340 0.001 0.000 0.284 460 R C -2.099 173.689 176.300 -0.854 0.000 1.324 460 R CA -1.553 54.100 56.100 -0.745 0.000 1.432 460 R CB 0.715 30.767 30.300 -0.413 0.000 1.107 460 R HN 0.410 nan 8.270 nan 0.000 0.587 461 P HA -0.217 nan 4.420 nan 0.000 0.218 461 P C 0.818 177.843 177.300 -0.458 0.000 1.146 461 P CA 1.377 63.986 63.100 -0.819 0.000 0.820 461 P CB 0.285 31.605 31.700 -0.634 0.000 0.778 462 D N -0.812 119.349 120.400 -0.398 0.000 2.183 462 D HA -0.079 4.561 4.640 0.001 0.000 0.205 462 D C 1.956 178.090 176.300 -0.277 0.000 0.962 462 D CA 0.836 54.669 54.000 -0.277 0.000 0.849 462 D CB -0.928 39.733 40.800 -0.231 0.000 0.978 462 D HN 0.206 nan 8.370 nan 0.000 0.488 463 L N 0.002 121.018 121.223 -0.345 0.000 2.027 463 L HA -0.100 4.240 4.340 0.001 0.000 0.206 463 L C 2.734 179.436 176.870 -0.279 0.000 1.074 463 L CA 0.512 55.129 54.840 -0.372 0.000 0.745 463 L CB -0.424 41.349 42.059 -0.475 0.000 0.898 463 L HN -0.090 nan 8.230 nan 0.000 0.433 464 I N 0.103 120.492 120.570 -0.302 0.000 2.118 464 I HA -0.340 3.830 4.170 0.001 0.000 0.241 464 I C 2.727 178.745 176.117 -0.165 0.000 1.070 464 I CA 1.660 62.820 61.300 -0.233 0.000 1.327 464 I CB -0.339 37.424 38.000 -0.395 0.000 1.034 464 I HN 0.281 nan 8.210 nan 0.000 0.405 465 E N 0.028 120.117 120.200 -0.185 0.000 2.208 465 E HA -0.216 4.134 4.350 0.001 0.000 0.193 465 E C 2.155 178.680 176.600 -0.125 0.000 0.988 465 E CA 0.717 57.038 56.400 -0.133 0.000 0.828 465 E CB -0.028 29.597 29.700 -0.126 0.000 0.763 465 E HN 0.350 nan 8.360 nan 0.000 0.478 466 M N 0.832 120.344 119.600 -0.147 0.000 2.065 466 M HA -0.159 4.321 4.480 0.001 0.000 0.259 466 M C 2.147 178.383 176.300 -0.107 0.000 1.071 466 M CA 1.379 56.605 55.300 -0.124 0.000 1.109 466 M CB -0.646 31.860 32.600 -0.157 0.000 1.313 466 M HN 0.016 nan 8.290 nan 0.000 0.408 467 V N 1.161 121.004 119.914 -0.117 0.000 2.255 467 V HA -0.282 3.838 4.120 0.001 0.000 0.247 467 V C 2.602 178.584 176.094 -0.187 0.000 1.051 467 V CA 1.711 63.942 62.300 -0.116 0.000 1.018 467 V CB -1.173 30.596 31.823 -0.091 0.000 0.641 467 V HN 0.535 nan 8.190 nan 0.000 0.445 468 L N 0.983 122.099 121.223 -0.178 0.000 2.043 468 L HA -0.245 4.095 4.340 0.001 0.000 0.212 468 L C 2.044 178.808 176.870 -0.177 0.000 1.075 468 L CA 2.543 57.267 54.840 -0.194 0.000 0.752 468 L CB -0.978 41.017 42.059 -0.107 0.000 0.891 468 L HN 0.477 nan 8.230 nan 0.000 0.432 469 D N -1.239 119.084 120.400 -0.128 0.000 2.310 469 D HA -0.161 4.479 4.640 0.001 0.000 0.212 469 D C 1.821 178.063 176.300 -0.097 0.000 0.965 469 D CA 0.727 54.670 54.000 -0.095 0.000 0.879 469 D CB 0.069 40.826 40.800 -0.071 0.000 0.921 469 D HN 0.153 nan 8.370 nan 0.000 0.510 470 K N -0.293 120.030 120.400 -0.129 0.000 2.459 470 K HA 0.108 4.428 4.320 0.001 0.000 0.193 470 K C 0.156 176.640 176.600 -0.195 0.000 1.030 470 K CA 0.147 56.372 56.287 -0.103 0.000 1.026 470 K CB 0.302 32.763 32.500 -0.066 0.000 0.809 470 K HN 0.308 nan 8.250 nan 0.000 0.504 471 L N 2.809 123.809 121.223 -0.373 0.000 2.494 471 L HA 0.290 4.630 4.340 0.001 0.000 0.251 471 L C -0.219 176.453 176.870 -0.329 0.000 1.119 471 L CA -0.418 53.928 54.840 -0.822 0.000 1.026 471 L CB 0.168 41.614 42.059 -1.020 0.000 1.370 471 L HN -0.092 nan 8.230 nan 0.000 0.426 472 R N 0.254 120.761 120.500 0.012 0.000 2.836 472 R HA 0.547 4.887 4.340 0.001 0.000 0.269 472 R C -2.313 174.131 176.300 0.240 0.000 1.010 472 R CA -1.957 54.223 56.100 0.133 0.000 0.930 472 R CB 0.498 30.798 30.300 0.001 0.000 1.218 472 R HN -0.208 nan 8.270 nan 0.000 0.473 473 P HA -0.314 nan 4.420 nan 0.000 0.218 473 P C 1.000 178.420 177.300 0.200 0.000 1.154 473 P CA 1.662 64.752 63.100 -0.015 0.000 0.872 473 P CB 0.105 31.720 31.700 -0.141 0.000 0.790 474 E N -0.111 120.162 120.200 0.123 0.000 2.265 474 E HA -0.187 4.164 4.350 0.001 0.000 0.196 474 E C 0.658 177.354 176.600 0.160 0.000 0.996 474 E CA 1.237 57.709 56.400 0.119 0.000 0.832 474 E CB -1.078 28.662 29.700 0.068 0.000 0.756 474 E HN 0.386 nan 8.360 nan 0.000 0.491 475 N N 1.107 119.951 118.700 0.239 0.000 2.535 475 N HA 0.082 4.822 4.740 0.001 0.000 0.294 475 N C -0.970 174.748 175.510 0.345 0.000 1.408 475 N CA -0.426 52.783 53.050 0.264 0.000 0.927 475 N CB 0.694 39.311 38.487 0.216 0.000 1.276 475 N HN -0.021 nan 8.380 nan 0.000 0.505 476 V N 0.780 120.848 119.914 0.258 0.000 2.472 476 V HA 0.483 4.603 4.120 0.001 0.000 0.290 476 V C -0.340 175.758 176.094 0.005 0.000 1.037 476 V CA -0.729 61.587 62.300 0.026 0.000 0.908 476 V CB 1.370 33.283 31.823 0.150 0.000 0.985 476 V HN 0.278 nan 8.190 nan 0.000 0.454 477 R N 4.032 124.470 120.500 -0.102 0.000 2.445 477 R HA 0.746 5.087 4.340 0.001 0.000 0.308 477 R C -1.522 174.767 176.300 -0.018 0.000 0.961 477 R CA -0.536 55.549 56.100 -0.025 0.000 0.862 477 R CB 2.175 32.422 30.300 -0.088 0.000 1.144 477 R HN 0.560 nan 8.270 nan 0.000 0.447 478 V N 1.864 121.826 119.914 0.081 0.000 2.604 478 V HA 0.767 4.888 4.120 0.001 0.000 0.305 478 V C -0.547 175.661 176.094 0.191 0.000 1.043 478 V CA -0.834 61.519 62.300 0.089 0.000 0.888 478 V CB 1.813 33.693 31.823 0.094 0.000 0.995 478 V HN 0.910 nan 8.190 nan 0.000 0.429 479 A N 5.575 128.503 122.820 0.181 0.000 2.393 479 A HA 0.948 5.269 4.320 0.001 0.000 0.306 479 A C -1.080 176.629 177.584 0.208 0.000 1.050 479 A CA -0.505 51.670 52.037 0.231 0.000 0.724 479 A CB 1.217 20.341 19.000 0.207 0.000 1.248 479 A HN 0.748 nan 8.150 nan 0.000 0.424 480 I N 1.659 122.349 120.570 0.201 0.000 2.509 480 I HA 0.523 4.694 4.170 0.001 0.000 0.293 480 I C -0.920 175.406 176.117 0.348 0.000 1.020 480 I CA -1.072 60.375 61.300 0.244 0.000 1.088 480 I CB 2.294 40.475 38.000 0.301 0.000 1.267 480 I HN 0.283 nan 8.210 nan 0.000 0.430 481 V N 4.226 124.327 119.914 0.311 0.000 2.376 481 V HA 0.565 4.685 4.120 0.001 0.000 0.287 481 V C -0.369 175.854 176.094 0.215 0.000 1.015 481 V CA -0.231 62.251 62.300 0.303 0.000 0.834 481 V CB 1.462 33.445 31.823 0.267 0.000 1.001 481 V HN 0.799 nan 8.190 nan 0.000 0.428 482 S N 3.506 119.341 115.700 0.224 0.000 2.533 482 S HA 0.447 4.918 4.470 0.001 0.000 0.271 482 S C 0.452 175.012 174.600 -0.065 0.000 1.143 482 S CA -0.697 57.468 58.200 -0.057 0.000 0.891 482 S CB 1.929 64.875 63.200 -0.423 0.000 1.105 482 S HN 0.532 nan 8.310 nan 0.000 0.468 483 K N 1.754 122.109 120.400 -0.075 0.000 2.442 483 K HA -0.019 4.302 4.320 0.001 0.000 0.198 483 K C 1.836 178.369 176.600 -0.112 0.000 1.044 483 K CA 1.405 57.662 56.287 -0.051 0.000 0.948 483 K CB -0.641 31.838 32.500 -0.035 0.000 0.762 483 K HN 0.702 nan 8.250 nan 0.000 0.472 484 S N -0.900 114.627 115.700 -0.288 0.000 2.603 484 S HA 0.050 4.521 4.470 0.001 0.000 0.220 484 S C 1.432 175.847 174.600 -0.308 0.000 0.967 484 S CA -0.024 57.985 58.200 -0.318 0.000 0.920 484 S CB -0.435 62.520 63.200 -0.408 0.000 0.773 484 S HN 0.219 nan 8.310 nan 0.000 0.529 485 F N 1.229 121.194 119.950 0.025 0.000 2.727 485 F HA 0.371 4.898 4.527 0.001 0.000 0.302 485 F C 1.004 176.818 175.800 0.022 0.000 1.097 485 F CA -0.745 57.270 58.000 0.027 0.000 1.330 485 F CB 0.003 39.030 39.000 0.044 0.000 1.084 485 F HN 0.195 nan 8.300 nan 0.000 0.578 486 E N 0.980 121.264 120.200 0.140 0.000 2.652 486 E HA 0.133 4.483 4.350 0.001 0.000 0.255 486 E C 1.266 177.910 176.600 0.073 0.000 0.952 486 E CA 1.111 57.564 56.400 0.089 0.000 0.947 486 E CB 0.095 29.821 29.700 0.043 0.000 0.912 486 E HN 0.458 nan 8.360 nan 0.000 0.489 487 G N 4.386 113.223 108.800 0.061 0.000 2.168 487 G HA2 -0.370 3.591 3.960 0.001 0.000 0.263 487 G HA3 -0.370 3.591 3.960 0.001 0.000 0.263 487 G C 0.491 175.418 174.900 0.044 0.000 0.977 487 G CA 0.773 45.897 45.100 0.041 0.000 0.659 487 G HN 0.573 nan 8.290 nan 0.000 0.533 488 K N 0.385 120.829 120.400 0.073 0.000 2.506 488 K HA 0.285 4.606 4.320 0.001 0.000 0.204 488 K C 0.479 177.098 176.600 0.033 0.000 1.045 488 K CA 0.564 56.890 56.287 0.066 0.000 1.074 488 K CB 0.890 33.461 32.500 0.118 0.000 0.842 488 K HN 0.469 nan 8.250 nan 0.000 0.514 489 T N -1.035 113.526 114.554 0.013 0.000 2.823 489 T HA 0.220 4.570 4.350 0.001 0.000 0.279 489 T C 0.080 174.730 174.700 -0.083 0.000 0.998 489 T CA -0.907 61.167 62.100 -0.044 0.000 0.994 489 T CB 1.577 70.437 68.868 -0.014 0.000 0.960 489 T HN 0.080 nan 8.240 nan 0.000 0.448 490 D N 1.050 121.365 120.400 -0.142 0.000 2.368 490 D HA 0.191 4.831 4.640 0.001 0.000 0.218 490 D C 0.471 176.650 176.300 -0.201 0.000 1.112 490 D CA -0.448 53.468 54.000 -0.140 0.000 0.834 490 D CB 0.320 41.050 40.800 -0.117 0.000 0.953 490 D HN 0.434 nan 8.370 nan 0.000 0.505 491 R N -0.948 119.367 120.500 -0.308 0.000 2.808 491 R HA 0.674 5.014 4.340 0.001 0.000 0.272 491 R C -1.184 174.959 176.300 -0.260 0.000 0.995 491 R CA -0.737 55.113 56.100 -0.417 0.000 0.917 491 R CB 2.280 32.020 30.300 -0.932 0.000 1.217 491 R HN -0.080 nan 8.270 nan 0.000 0.471 492 T N 0.764 115.265 114.554 -0.088 0.000 2.937 492 T HA 0.132 4.482 4.350 0.001 0.000 0.297 492 T C -0.813 173.983 174.700 0.160 0.000 0.991 492 T CA -0.788 61.351 62.100 0.066 0.000 0.990 492 T CB 1.859 70.726 68.868 -0.002 0.000 0.991 492 T HN 0.353 nan 8.240 nan 0.000 0.440 493 E N 2.724 123.077 120.200 0.255 0.000 2.360 493 E HA 0.009 4.360 4.350 0.001 0.000 0.269 493 E C 1.127 177.738 176.600 0.019 0.000 1.022 493 E CA -0.031 56.464 56.400 0.159 0.000 0.887 493 E CB 0.875 30.645 29.700 0.116 0.000 0.990 493 E HN 0.904 nan 8.360 nan 0.000 0.426 494 E N 3.403 123.525 120.200 -0.129 0.000 2.152 494 E HA -0.160 4.190 4.350 0.001 0.000 0.192 494 E C 1.215 177.524 176.600 -0.485 0.000 0.983 494 E CA 0.922 57.099 56.400 -0.372 0.000 0.818 494 E CB -0.189 29.182 29.700 -0.549 0.000 0.758 494 E HN 0.618 nan 8.360 nan 0.000 0.467 495 W N -0.744 120.455 121.300 -0.168 0.000 2.588 495 W HA 0.163 4.823 4.660 0.001 0.000 0.277 495 W C 1.335 177.632 176.519 -0.370 0.000 1.221 495 W CA -0.111 56.987 57.345 -0.411 0.000 1.355 495 W CB 0.104 29.089 29.460 -0.792 0.000 1.083 495 W HN 0.026 nan 8.180 nan 0.000 0.581 496 Y N -0.644 119.729 120.300 0.122 0.000 2.481 496 Y HA 0.309 4.859 4.550 0.001 0.000 0.258 496 Y C 2.062 177.983 175.900 0.035 0.000 1.103 496 Y CA 0.660 58.813 58.100 0.088 0.000 1.287 496 Y CB 0.247 38.769 38.460 0.103 0.000 1.108 496 Y HN 0.018 nan 8.280 nan 0.000 0.529 497 G N 0.355 109.238 108.800 0.139 0.000 2.159 497 G HA2 -0.297 3.663 3.960 0.001 0.000 0.256 497 G HA3 -0.297 3.663 3.960 0.001 0.000 0.256 497 G C 0.226 175.190 174.900 0.106 0.000 0.977 497 G CA 0.305 45.449 45.100 0.072 0.000 0.652 497 G HN 0.227 nan 8.290 nan 0.000 0.531 498 T N 2.313 116.958 114.554 0.152 0.000 2.800 498 T HA 0.240 4.591 4.350 0.001 0.000 0.283 498 T C 0.535 175.363 174.700 0.213 0.000 0.999 498 T CA 0.461 62.650 62.100 0.148 0.000 1.176 498 T CB 0.733 69.659 68.868 0.097 0.000 0.973 498 T HN 0.302 nan 8.240 nan 0.000 0.519 499 Q N 3.140 123.042 119.800 0.170 0.000 2.296 499 Q HA 0.331 4.672 4.340 0.001 0.000 0.263 499 Q C -0.325 175.817 176.000 0.237 0.000 1.026 499 Q CA 0.057 55.953 55.803 0.155 0.000 0.912 499 Q CB 0.318 29.116 28.738 0.099 0.000 1.198 499 Q HN 0.838 nan 8.270 nan 0.000 0.407 500 Y N -0.638 119.673 120.300 0.019 0.000 2.705 500 Y HA 0.707 5.258 4.550 0.001 0.000 0.332 500 Y C -1.502 174.389 175.900 -0.014 0.000 1.221 500 Y CA -1.365 56.738 58.100 0.005 0.000 1.059 500 Y CB 1.584 40.059 38.460 0.025 0.000 1.298 500 Y HN 0.351 nan 8.280 nan 0.000 0.459 501 K N 1.641 122.004 120.400 -0.061 0.000 2.498 501 K HA 0.419 4.740 4.320 0.001 0.000 0.254 501 K C -1.883 174.710 176.600 -0.011 0.000 0.933 501 K CA -0.749 55.440 56.287 -0.163 0.000 0.806 501 K CB 2.582 34.984 32.500 -0.164 0.000 1.301 501 K HN 0.925 nan 8.250 nan 0.000 0.432 502 Q N 2.361 122.117 119.800 -0.073 0.000 2.377 502 Q HA 0.378 4.718 4.340 0.001 0.000 0.271 502 Q C -1.515 174.379 176.000 -0.176 0.000 1.077 502 Q CA -0.541 55.191 55.803 -0.119 0.000 0.820 502 Q CB 2.002 30.750 28.738 0.016 0.000 1.347 502 Q HN 0.645 nan 8.270 nan 0.000 0.444 503 E N 0.712 120.759 120.200 -0.255 0.000 2.352 503 E HA 0.476 4.827 4.350 0.001 0.000 0.280 503 E C -1.650 174.839 176.600 -0.185 0.000 0.930 503 E CA -0.768 55.525 56.400 -0.178 0.000 0.765 503 E CB 1.950 31.560 29.700 -0.149 0.000 1.219 503 E HN 0.738 nan 8.360 nan 0.000 0.434 504 A N 2.824 125.571 122.820 -0.122 0.000 2.425 504 A HA 0.376 4.696 4.320 0.001 0.000 0.249 504 A C -0.048 177.484 177.584 -0.085 0.000 1.084 504 A CA -0.133 51.846 52.037 -0.096 0.000 0.781 504 A CB 0.006 18.964 19.000 -0.070 0.000 1.019 504 A HN 0.552 nan 8.150 nan 0.000 0.490 505 I N 4.451 124.982 120.570 -0.064 0.000 2.396 505 I HA 0.190 4.361 4.170 0.001 0.000 0.289 505 I C -1.612 174.451 176.117 -0.090 0.000 1.056 505 I CA -1.590 59.674 61.300 -0.060 0.000 1.365 505 I CB 1.012 39.013 38.000 0.001 0.000 1.407 505 I HN 0.513 nan 8.210 nan 0.000 0.509 506 P HA -0.031 nan 4.420 nan 0.000 0.266 506 P C 0.035 177.252 177.300 -0.139 0.000 1.195 506 P CA 0.020 63.053 63.100 -0.112 0.000 0.768 506 P CB 0.870 32.504 31.700 -0.112 0.000 0.838 507 D N 1.536 121.874 120.400 -0.105 0.000 2.149 507 D HA -0.195 4.446 4.640 0.001 0.000 0.198 507 D C 1.562 177.784 176.300 -0.130 0.000 0.990 507 D CA 1.191 55.130 54.000 -0.101 0.000 0.839 507 D CB 0.106 40.865 40.800 -0.068 0.000 0.948 507 D HN 0.596 nan 8.370 nan 0.000 0.460 508 E N 1.098 121.219 120.200 -0.131 0.000 2.160 508 E HA -0.150 4.200 4.350 0.001 0.000 0.195 508 E C 2.125 178.589 176.600 -0.228 0.000 0.991 508 E CA 0.736 57.051 56.400 -0.141 0.000 0.810 508 E CB 0.170 29.804 29.700 -0.111 0.000 0.742 508 E HN 0.098 nan 8.360 nan 0.000 0.466 509 V N 0.756 120.476 119.914 -0.324 0.000 2.407 509 V HA -0.187 3.933 4.120 0.001 0.000 0.245 509 V C 2.433 178.022 176.094 -0.842 0.000 1.041 509 V CA 1.133 63.069 62.300 -0.607 0.000 1.040 509 V CB -0.290 31.144 31.823 -0.648 0.000 0.671 509 V HN 0.197 nan 8.190 nan 0.000 0.455 510 I N 0.438 120.703 120.570 -0.507 0.000 2.142 510 I HA -0.300 3.871 4.170 0.001 0.000 0.240 510 I C 2.530 178.551 176.117 -0.159 0.000 1.078 510 I CA 2.134 63.286 61.300 -0.247 0.000 1.343 510 I CB -0.443 37.516 38.000 -0.069 0.000 1.046 510 I HN 0.277 nan 8.210 nan 0.000 0.405 511 K N 1.219 121.531 120.400 -0.148 0.000 2.059 511 K HA -0.284 4.036 4.320 0.001 0.000 0.212 511 K C 2.255 178.809 176.600 -0.077 0.000 1.050 511 K CA 1.821 58.053 56.287 -0.091 0.000 0.927 511 K CB -0.184 32.267 32.500 -0.081 0.000 0.714 511 K HN 0.021 nan 8.250 nan 0.000 0.447 512 K N -0.427 119.889 120.400 -0.140 0.000 2.148 512 K HA -0.125 4.195 4.320 0.001 0.000 0.204 512 K C 1.756 178.394 176.600 0.063 0.000 1.050 512 K CA 1.231 57.472 56.287 -0.078 0.000 0.942 512 K CB -0.084 32.330 32.500 -0.143 0.000 0.724 512 K HN 0.372 nan 8.250 nan 0.000 0.446 513 W N 1.573 122.855 121.300 -0.029 0.000 2.476 513 W HA 0.005 4.666 4.660 0.001 0.000 0.281 513 W C 1.933 178.327 176.519 -0.210 0.000 1.230 513 W CA 0.237 57.533 57.345 -0.083 0.000 1.287 513 W CB -0.739 28.618 29.460 -0.172 0.000 1.108 513 W HN 0.239 nan 8.180 nan 0.000 0.567 514 Q N 0.051 119.863 119.800 0.021 0.000 2.170 514 Q HA -0.177 4.163 4.340 0.001 0.000 0.203 514 Q C 1.067 177.068 176.000 0.003 0.000 0.976 514 Q CA 1.394 57.170 55.803 -0.044 0.000 0.858 514 Q CB -0.578 28.137 28.738 -0.038 0.000 0.907 514 Q HN 0.422 nan 8.270 nan 0.000 0.433 515 N N 0.216 118.937 118.700 0.035 0.000 2.370 515 N HA 0.196 4.936 4.740 0.001 0.000 0.198 515 N C -0.595 174.961 175.510 0.076 0.000 1.156 515 N CA -0.280 52.797 53.050 0.045 0.000 0.839 515 N CB 0.447 38.955 38.487 0.034 0.000 0.989 515 N HN 0.132 nan 8.380 nan 0.000 0.468 516 A N 0.710 123.597 122.820 0.111 0.000 2.580 516 A HA -0.101 4.219 4.320 0.001 0.000 0.244 516 A C 0.486 178.132 177.584 0.104 0.000 1.045 516 A CA 0.466 52.589 52.037 0.144 0.000 0.761 516 A CB 0.111 19.232 19.000 0.203 0.000 0.962 516 A HN 0.242 nan 8.150 nan 0.000 0.512 517 D N 1.174 121.632 120.400 0.096 0.000 2.496 517 D HA 0.519 5.160 4.640 0.001 0.000 0.283 517 D C 0.019 176.374 176.300 0.091 0.000 1.214 517 D CA -0.279 53.768 54.000 0.078 0.000 1.089 517 D CB 0.568 41.406 40.800 0.064 0.000 1.141 517 D HN 0.450 nan 8.370 nan 0.000 0.580 518 L N 0.865 122.136 121.223 0.080 0.000 2.379 518 L HA 0.278 4.618 4.340 0.001 0.000 0.269 518 L C 0.161 177.092 176.870 0.101 0.000 1.084 518 L CA -0.447 54.451 54.840 0.096 0.000 0.802 518 L CB 0.804 42.903 42.059 0.066 0.000 1.175 518 L HN 0.265 nan 8.230 nan 0.000 0.448 519 N N 0.234 119.018 118.700 0.141 0.000 2.558 519 N HA 0.211 4.951 4.740 0.001 0.000 0.285 519 N C 0.635 176.151 175.510 0.011 0.000 1.112 519 N CA -0.177 52.918 53.050 0.074 0.000 0.857 519 N CB 1.778 40.325 38.487 0.100 0.000 1.376 519 N HN 0.627 nan 8.380 nan 0.000 0.526 520 G N 2.518 111.311 108.800 -0.011 0.000 2.581 520 G HA2 -0.292 3.668 3.960 0.001 0.000 0.223 520 G HA3 -0.292 3.668 3.960 0.001 0.000 0.223 520 G C 1.189 176.055 174.900 -0.057 0.000 1.094 520 G CA 0.707 45.798 45.100 -0.015 0.000 0.736 520 G HN 0.555 nan 8.290 nan 0.000 0.588 521 K N -0.322 119.969 120.400 -0.182 0.000 2.442 521 K HA 0.035 4.355 4.320 0.001 0.000 0.198 521 K C -0.146 176.273 176.600 -0.301 0.000 1.042 521 K CA 0.229 56.335 56.287 -0.302 0.000 0.958 521 K CB -0.071 32.145 32.500 -0.472 0.000 0.766 521 K HN 0.439 nan 8.250 nan 0.000 0.474 522 F N 1.308 121.312 119.950 0.090 0.000 2.361 522 F HA 0.240 4.768 4.527 0.001 0.000 0.364 522 F C 0.432 176.250 175.800 0.030 0.000 1.117 522 F CA -1.122 56.939 58.000 0.103 0.000 1.071 522 F CB 1.163 40.220 39.000 0.094 0.000 1.188 522 F HN -0.407 nan 8.300 nan 0.000 0.464 523 K N 2.494 123.047 120.400 0.255 0.000 2.221 523 K HA 0.549 4.869 4.320 0.001 0.000 0.243 523 K C -0.668 176.012 176.600 0.133 0.000 0.968 523 K CA -0.774 55.600 56.287 0.145 0.000 0.846 523 K CB 1.129 33.702 32.500 0.122 0.000 1.141 523 K HN 0.276 nan 8.250 nan 0.000 0.434 524 L N 2.665 123.948 121.223 0.100 0.000 2.476 524 L HA 0.291 4.632 4.340 0.001 0.000 0.264 524 L C -1.807 175.134 176.870 0.120 0.000 1.224 524 L CA -1.823 53.085 54.840 0.114 0.000 0.821 524 L CB -0.690 41.481 42.059 0.186 0.000 1.101 524 L HN 0.545 nan 8.230 nan 0.000 0.488 525 P HA 0.144 nan 4.420 nan 0.000 0.272 525 P C -0.385 177.060 177.300 0.241 0.000 1.230 525 P CA -0.305 62.785 63.100 -0.017 0.000 0.788 525 P CB 0.304 31.796 31.700 -0.347 0.000 0.949 526 T N -1.472 113.195 114.554 0.189 0.000 2.824 526 T HA 0.365 4.715 4.350 0.001 0.000 0.277 526 T C 0.200 175.026 174.700 0.211 0.000 0.975 526 T CA -0.815 61.367 62.100 0.137 0.000 0.966 526 T CB 0.450 69.358 68.868 0.066 0.000 1.054 526 T HN 0.114 nan 8.240 nan 0.000 0.533 527 K N 1.601 121.998 120.400 -0.006 0.000 2.489 527 K HA 0.053 4.373 4.320 0.001 0.000 0.278 527 K C 0.241 176.934 176.600 0.155 0.000 1.000 527 K CA -0.014 56.311 56.287 0.063 0.000 1.012 527 K CB -0.039 32.379 32.500 -0.137 0.000 0.903 527 K HN 0.642 nan 8.250 nan 0.000 0.485 528 N N 3.397 122.241 118.700 0.240 0.000 2.400 528 N HA -0.060 4.680 4.740 0.001 0.000 0.267 528 N C 0.214 175.790 175.510 0.110 0.000 1.208 528 N CA 0.274 53.448 53.050 0.206 0.000 0.951 528 N CB 0.646 39.277 38.487 0.241 0.000 1.227 528 N HN 0.693 nan 8.380 nan 0.000 0.488 529 E N 2.609 122.827 120.200 0.030 0.000 2.267 529 E HA -0.143 4.208 4.350 0.001 0.000 0.197 529 E C 0.557 177.025 176.600 -0.221 0.000 0.998 529 E CA 1.404 57.721 56.400 -0.139 0.000 0.830 529 E CB -0.053 29.483 29.700 -0.273 0.000 0.751 529 E HN 0.658 nan 8.360 nan 0.000 0.491 530 F N 0.044 119.983 119.950 -0.020 0.000 2.754 530 F HA 0.153 4.680 4.527 0.001 0.000 0.297 530 F C 0.347 176.145 175.800 -0.004 0.000 1.122 530 F CA -0.530 57.452 58.000 -0.031 0.000 1.400 530 F CB 0.330 39.293 39.000 -0.062 0.000 1.117 530 F HN -0.104 nan 8.300 nan 0.000 0.587 531 I N 3.951 124.621 120.570 0.166 0.000 3.089 531 I HA -0.123 4.047 4.170 0.001 0.000 0.321 531 I C -1.986 174.162 176.117 0.053 0.000 1.222 531 I CA -1.034 60.336 61.300 0.117 0.000 1.452 531 I CB -0.830 37.227 38.000 0.096 0.000 1.321 531 I HN -0.087 nan 8.210 nan 0.000 0.539 532 P HA 0.176 nan 4.420 nan 0.000 0.272 532 P C 0.293 177.411 177.300 -0.305 0.000 1.223 532 P CA -0.015 62.974 63.100 -0.184 0.000 0.784 532 P CB 1.009 32.532 31.700 -0.296 0.000 0.923 533 T N -2.738 111.473 114.554 -0.572 0.000 3.340 533 T HA 0.066 4.417 4.350 0.001 0.000 0.272 533 T C 0.690 174.953 174.700 -0.728 0.000 0.965 533 T CA -0.016 61.817 62.100 -0.446 0.000 1.040 533 T CB -0.656 68.112 68.868 -0.167 0.000 1.183 533 T HN 0.309 nan 8.240 nan 0.000 0.478 534 N N 1.386 119.712 118.700 -0.624 0.000 2.402 534 N HA 0.258 4.998 4.740 0.001 0.000 0.259 534 N C -0.893 174.261 175.510 -0.593 0.000 1.167 534 N CA -0.876 51.905 53.050 -0.448 0.000 0.949 534 N CB -0.340 38.011 38.487 -0.226 0.000 1.212 534 N HN 0.368 nan 8.380 nan 0.000 0.493 535 F N 0.365 120.295 119.950 -0.034 0.000 2.639 535 F HA 0.222 4.749 4.527 0.001 0.000 0.302 535 F C 1.211 176.987 175.800 -0.040 0.000 1.097 535 F CA -0.516 57.428 58.000 -0.093 0.000 1.294 535 F CB 0.121 39.080 39.000 -0.068 0.000 1.027 535 F HN 0.376 nan 8.300 nan 0.000 0.550 536 E N 2.114 122.372 120.200 0.096 0.000 2.366 536 E HA 0.103 4.453 4.350 0.001 0.000 0.266 536 E C -0.321 176.329 176.600 0.084 0.000 1.015 536 E CA -0.259 56.198 56.400 0.094 0.000 0.906 536 E CB 0.613 30.349 29.700 0.060 0.000 0.979 536 E HN 0.257 nan 8.360 nan 0.000 0.443 537 I N 6.021 126.655 120.570 0.107 0.000 2.329 537 I HA -0.002 4.168 4.170 0.001 0.000 0.295 537 I C -0.294 175.890 176.117 0.110 0.000 1.109 537 I CA -0.420 60.953 61.300 0.123 0.000 1.297 537 I CB 0.244 38.349 38.000 0.176 0.000 1.433 537 I HN 0.430 nan 8.210 nan 0.000 0.509 538 L N 9.934 131.216 121.223 0.100 0.000 2.540 538 L HA 0.093 4.433 4.340 0.001 0.000 0.276 538 L C -1.663 175.270 176.870 0.106 0.000 1.212 538 L CA -1.071 53.823 54.840 0.089 0.000 0.893 538 L CB -0.955 41.156 42.059 0.087 0.000 1.138 538 L HN 0.399 nan 8.230 nan 0.000 0.491 539 P HA 0.022 nan 4.420 nan 0.000 0.271 539 P C -0.306 177.052 177.300 0.097 0.000 1.218 539 P CA -0.774 62.372 63.100 0.076 0.000 0.780 539 P CB 0.633 32.359 31.700 0.043 0.000 0.901 540 L N 2.758 124.048 121.223 0.112 0.000 2.601 540 L HA -0.048 4.293 4.340 0.001 0.000 0.277 540 L C 1.070 177.995 176.870 0.091 0.000 1.219 540 L CA 0.831 55.742 54.840 0.120 0.000 0.915 540 L CB -1.007 41.126 42.059 0.123 0.000 1.160 540 L HN 0.409 nan 8.230 nan 0.000 0.494 541 E N 3.706 123.969 120.200 0.105 0.000 2.422 541 E HA -0.038 4.312 4.350 0.001 0.000 0.260 541 E C 0.915 177.556 176.600 0.068 0.000 1.108 541 E CA -0.082 56.371 56.400 0.089 0.000 0.943 541 E CB 0.659 30.429 29.700 0.117 0.000 0.961 541 E HN 0.476 nan 8.360 nan 0.000 0.443 542 K N 1.442 121.872 120.400 0.051 0.000 2.020 542 K HA -0.205 4.115 4.320 0.001 0.000 0.212 542 K C 0.399 177.023 176.600 0.040 0.000 1.050 542 K CA 1.486 57.796 56.287 0.038 0.000 0.929 542 K CB -0.000 32.517 32.500 0.028 0.000 0.714 542 K HN 0.451 nan 8.250 nan 0.000 0.443 543 E N 0.402 120.631 120.200 0.049 0.000 3.012 543 E HA 0.256 4.607 4.350 0.001 0.000 0.228 543 E C -1.286 175.358 176.600 0.074 0.000 1.184 543 E CA -0.528 55.902 56.400 0.050 0.000 1.407 543 E CB 1.143 30.869 29.700 0.043 0.000 1.438 543 E HN 0.217 nan 8.360 nan 0.000 0.435 544 A N 1.456 124.319 122.820 0.073 0.000 2.328 544 A HA 0.388 4.709 4.320 0.001 0.000 0.284 544 A C 0.556 178.151 177.584 0.018 0.000 1.160 544 A CA -0.544 51.541 52.037 0.079 0.000 0.818 544 A CB 0.339 19.389 19.000 0.084 0.000 1.087 544 A HN 0.271 nan 8.150 nan 0.000 0.504 545 T N 1.267 115.816 114.554 -0.009 0.000 2.922 545 T HA 0.480 4.830 4.350 0.001 0.000 0.285 545 T C -2.013 172.610 174.700 -0.128 0.000 1.005 545 T CA -1.467 60.604 62.100 -0.049 0.000 1.061 545 T CB 0.995 69.850 68.868 -0.022 0.000 1.007 545 T HN 0.345 nan 8.240 nan 0.000 0.502 546 P HA 0.044 nan 4.420 nan 0.000 0.217 546 P C -0.417 176.602 177.300 -0.468 0.000 1.151 546 P CA 1.035 63.925 63.100 -0.349 0.000 0.828 546 P CB 0.007 31.425 31.700 -0.470 0.000 0.788 547 Y N -2.075 118.120 120.300 -0.176 0.000 2.621 547 Y HA 0.461 5.011 4.550 0.001 0.000 0.334 547 Y C -2.204 173.349 175.900 -0.579 0.000 1.074 547 Y CA -3.346 54.501 58.100 -0.422 0.000 1.149 547 Y CB -0.331 37.945 38.460 -0.307 0.000 1.302 547 Y HN -0.313 nan 8.280 nan 0.000 0.501 548 P HA 0.248 nan 4.420 nan 0.000 0.271 548 P C -1.115 176.140 177.300 -0.076 0.000 1.220 548 P CA -0.134 62.614 63.100 -0.587 0.000 0.768 548 P CB 0.506 31.664 31.700 -0.904 0.000 0.848 549 A N 3.591 126.460 122.820 0.082 0.000 2.316 549 A HA 0.411 4.731 4.320 0.001 0.000 0.284 549 A C -0.286 177.377 177.584 0.131 0.000 1.115 549 A CA -0.491 51.649 52.037 0.171 0.000 0.812 549 A CB 0.063 19.143 19.000 0.134 0.000 1.064 549 A HN 0.565 nan 8.150 nan 0.000 0.489 550 L N 3.644 124.778 121.223 -0.148 0.000 2.387 550 L HA 0.302 4.642 4.340 0.001 0.000 0.267 550 L C 0.628 177.310 176.870 -0.315 0.000 1.197 550 L CA -0.007 54.442 54.840 -0.652 0.000 1.070 550 L CB -0.466 40.975 42.059 -1.029 0.000 1.349 550 L HN 0.629 nan 8.230 nan 0.000 0.422 551 I N 0.218 120.683 120.570 -0.176 0.000 3.564 551 I HA 0.260 4.431 4.170 0.001 0.000 0.294 551 I C 0.519 176.560 176.117 -0.128 0.000 1.289 551 I CA 0.296 61.535 61.300 -0.101 0.000 1.325 551 I CB -0.524 37.453 38.000 -0.039 0.000 1.039 551 I HN 0.482 nan 8.210 nan 0.000 0.474 552 K N 0.637 120.929 120.400 -0.181 0.000 2.572 552 K HA 0.275 4.595 4.320 0.001 0.000 0.263 552 K C -1.779 174.731 176.600 -0.150 0.000 0.932 552 K CA -0.489 55.720 56.287 -0.130 0.000 0.838 552 K CB 1.607 34.061 32.500 -0.077 0.000 1.366 552 K HN -0.030 nan 8.250 nan 0.000 0.425 553 D N 2.891 123.235 120.400 -0.093 0.000 2.968 553 D HA 0.088 4.729 4.640 0.001 0.000 0.301 553 D C -0.469 175.823 176.300 -0.013 0.000 1.226 553 D CA -0.012 53.949 54.000 -0.065 0.000 0.746 553 D CB 0.852 41.587 40.800 -0.108 0.000 1.278 553 D HN 0.647 nan 8.370 nan 0.000 0.544 554 T N -2.644 111.925 114.554 0.026 0.000 2.770 554 T HA 0.600 4.950 4.350 0.001 0.000 0.281 554 T C 1.586 176.328 174.700 0.070 0.000 0.981 554 T CA 0.151 62.276 62.100 0.041 0.000 0.955 554 T CB 1.511 70.409 68.868 0.050 0.000 1.060 554 T HN -0.008 nan 8.240 nan 0.000 0.531 555 A N 0.401 123.253 122.820 0.053 0.000 1.929 555 A HA 0.071 4.392 4.320 0.001 0.000 0.216 555 A C 2.360 180.026 177.584 0.137 0.000 1.176 555 A CA 1.636 53.694 52.037 0.035 0.000 0.628 555 A CB -0.944 18.068 19.000 0.020 0.000 0.816 555 A HN 0.941 nan 8.150 nan 0.000 0.444 556 M N -0.079 119.623 119.600 0.170 0.000 2.254 556 M HA -0.017 4.463 4.480 0.001 0.000 0.265 556 M C 0.239 176.741 176.300 0.336 0.000 1.066 556 M CA 1.584 57.032 55.300 0.245 0.000 1.123 556 M CB 0.102 32.804 32.600 0.169 0.000 1.388 556 M HN 0.437 nan 8.290 nan 0.000 0.425 557 S N -0.396 115.462 115.700 0.263 0.000 2.543 557 S HA 0.443 4.913 4.470 0.001 0.000 0.271 557 S C -1.079 173.617 174.600 0.161 0.000 1.148 557 S CA -1.155 57.150 58.200 0.176 0.000 0.914 557 S CB 1.524 64.781 63.200 0.096 0.000 1.096 557 S HN 0.223 nan 8.310 nan 0.000 0.471 558 K N 1.680 122.164 120.400 0.140 0.000 2.263 558 K HA 0.487 4.807 4.320 0.001 0.000 0.272 558 K C -1.484 175.097 176.600 -0.031 0.000 1.033 558 K CA -0.729 55.593 56.287 0.058 0.000 0.884 558 K CB 1.193 33.815 32.500 0.204 0.000 1.107 558 K HN 0.601 nan 8.250 nan 0.000 0.460 559 L N 4.894 126.016 121.223 -0.169 0.000 2.325 559 L HA 0.486 4.826 4.340 0.001 0.000 0.281 559 L C -1.811 174.914 176.870 -0.241 0.000 1.004 559 L CA -0.385 54.392 54.840 -0.105 0.000 0.823 559 L CB 0.682 42.720 42.059 -0.036 0.000 1.236 559 L HN 0.480 nan 8.230 nan 0.000 0.415 560 W N 5.734 127.092 121.300 0.095 0.000 2.520 560 W HA 0.599 5.260 4.660 0.001 0.000 0.323 560 W C -0.790 175.807 176.519 0.130 0.000 1.062 560 W CA -0.310 57.094 57.345 0.097 0.000 1.215 560 W CB 1.501 31.021 29.460 0.101 0.000 1.340 560 W HN 0.465 nan 8.180 nan 0.000 0.516 561 F N 3.667 123.707 119.950 0.149 0.000 2.591 561 F HA 0.631 5.159 4.527 0.001 0.000 0.309 561 F C -1.176 174.637 175.800 0.020 0.000 1.098 561 F CA -1.319 56.723 58.000 0.071 0.000 0.937 561 F CB 1.612 40.634 39.000 0.038 0.000 1.250 561 F HN 0.234 nan 8.300 nan 0.000 0.447 562 K N 5.182 124.991 120.400 -0.985 0.000 2.535 562 K HA 0.203 4.524 4.320 0.001 0.000 0.251 562 K C -1.738 174.339 176.600 -0.872 0.000 0.942 562 K CA -0.634 55.059 56.287 -0.990 0.000 0.798 562 K CB 2.211 34.390 32.500 -0.535 0.000 1.267 562 K HN 0.956 nan 8.250 nan 0.000 0.434 563 Q N 2.952 122.279 119.800 -0.788 0.000 2.286 563 Q HA 0.033 4.373 4.340 0.001 0.000 0.257 563 Q C -0.707 175.263 176.000 -0.051 0.000 0.941 563 Q CA -0.236 55.433 55.803 -0.222 0.000 0.912 563 Q CB 0.923 29.668 28.738 0.012 0.000 1.192 563 Q HN 0.530 nan 8.270 nan 0.000 0.410 564 D N 2.895 123.293 120.400 -0.003 0.000 2.520 564 D HA -0.109 4.531 4.640 0.001 0.000 0.243 564 D C -0.189 175.990 176.300 -0.202 0.000 1.160 564 D CA 0.366 54.328 54.000 -0.062 0.000 0.877 564 D CB 0.649 41.360 40.800 -0.148 0.000 1.150 564 D HN 0.603 nan 8.370 nan 0.000 0.494 565 D N 2.425 122.674 120.400 -0.251 0.000 2.462 565 D HA 0.075 4.716 4.640 0.001 0.000 0.221 565 D C 0.481 176.459 176.300 -0.536 0.000 1.173 565 D CA -0.069 53.770 54.000 -0.268 0.000 0.831 565 D CB 0.248 41.005 40.800 -0.072 0.000 1.001 565 D HN 0.373 nan 8.370 nan 0.000 0.499 566 K N -0.929 118.867 120.400 -1.006 0.000 2.556 566 K HA 0.209 4.529 4.320 0.001 0.000 0.201 566 K C 0.593 176.477 176.600 -1.194 0.000 1.423 566 K CA 0.169 55.797 56.287 -1.098 0.000 1.010 566 K CB 0.446 32.077 32.500 -1.449 0.000 1.409 566 K HN 0.021 nan 8.250 nan 0.000 0.538 567 F N 0.036 119.536 119.950 -0.751 0.000 2.712 567 F HA 0.261 4.788 4.527 0.001 0.000 0.297 567 F C -0.089 175.572 175.800 -0.232 0.000 1.114 567 F CA -0.561 57.223 58.000 -0.361 0.000 1.305 567 F CB 0.008 38.864 39.000 -0.240 0.000 1.086 567 F HN -0.193 nan 8.300 nan 0.000 0.599 568 F N 1.474 121.497 119.950 0.123 0.000 2.970 568 F HA -0.246 4.281 4.527 0.001 0.000 0.251 568 F C -0.351 175.508 175.800 0.099 0.000 0.993 568 F CA -0.176 57.874 58.000 0.083 0.000 0.869 568 F CB -2.304 36.727 39.000 0.052 0.000 0.762 568 F HN -0.092 nan 8.300 nan 0.000 0.817 569 L N 2.099 123.407 121.223 0.141 0.000 2.334 569 L HA 0.495 4.836 4.340 0.001 0.000 0.273 569 L C -1.672 175.187 176.870 -0.017 0.000 1.013 569 L CA -2.068 52.820 54.840 0.080 0.000 0.816 569 L CB 1.479 43.578 42.059 0.066 0.000 1.278 569 L HN -0.288 nan 8.230 nan 0.000 0.431 570 P HA 0.128 nan 4.420 nan 0.000 0.225 570 P C -1.026 176.298 177.300 0.039 0.000 1.768 570 P CA 0.082 63.152 63.100 -0.051 0.000 0.943 570 P CB -0.160 31.478 31.700 -0.103 0.000 1.936 571 K N 0.597 120.982 120.400 -0.025 0.000 2.477 571 K HA 0.818 5.139 4.320 0.001 0.000 0.255 571 K C -0.989 175.559 176.600 -0.086 0.000 0.952 571 K CA -0.847 55.391 56.287 -0.082 0.000 0.826 571 K CB 2.739 35.125 32.500 -0.190 0.000 1.331 571 K HN 0.044 nan 8.250 nan 0.000 0.437 572 A N 1.771 124.542 122.820 -0.083 0.000 2.539 572 A HA 0.637 4.957 4.320 0.001 0.000 0.296 572 A C -1.537 176.000 177.584 -0.078 0.000 1.073 572 A CA -0.886 51.110 52.037 -0.068 0.000 0.700 572 A CB 1.183 20.185 19.000 0.003 0.000 1.296 572 A HN 0.628 nan 8.150 nan 0.000 0.405 573 N N 0.727 119.381 118.700 -0.076 0.000 2.372 573 N HA 0.640 5.380 4.740 0.001 0.000 0.291 573 N C -1.375 174.122 175.510 -0.021 0.000 1.024 573 N CA -0.220 52.793 53.050 -0.061 0.000 0.873 573 N CB 1.546 39.987 38.487 -0.077 0.000 1.206 573 N HN 0.533 nan 8.380 nan 0.000 0.486 574 L N 2.328 123.533 121.223 -0.030 0.000 2.442 574 L HA 0.433 4.773 4.340 0.001 0.000 0.261 574 L C -0.334 176.452 176.870 -0.140 0.000 1.000 574 L CA -0.513 54.311 54.840 -0.027 0.000 0.882 574 L CB 0.802 42.971 42.059 0.184 0.000 1.207 574 L HN 0.327 nan 8.230 nan 0.000 0.443 575 N N 2.904 121.348 118.700 -0.427 0.000 2.417 575 N HA 0.739 5.480 4.740 0.001 0.000 0.300 575 N C -1.462 173.618 175.510 -0.717 0.000 1.102 575 N CA -0.588 52.107 53.050 -0.591 0.000 0.886 575 N CB 1.835 39.732 38.487 -0.984 0.000 1.203 575 N HN 0.214 nan 8.380 nan 0.000 0.496 576 F N 0.600 120.372 119.950 -0.296 0.000 2.787 576 F HA 0.198 4.725 4.527 0.001 0.000 0.340 576 F C -0.249 175.506 175.800 -0.076 0.000 1.232 576 F CA -0.817 57.076 58.000 -0.178 0.000 1.051 576 F CB 1.420 40.178 39.000 -0.405 0.000 1.330 576 F HN 0.183 nan 8.300 nan 0.000 0.522 577 E N 3.251 123.618 120.200 0.278 0.000 2.259 577 E HA 0.313 4.663 4.350 0.001 0.000 0.281 577 E C -1.158 175.159 176.600 -0.472 0.000 1.027 577 E CA -0.255 56.135 56.400 -0.016 0.000 0.838 577 E CB 1.379 30.977 29.700 -0.170 0.000 1.066 577 E HN 0.323 nan 8.360 nan 0.000 0.401 578 F N 2.789 122.627 119.950 -0.186 0.000 2.427 578 F HA 0.350 4.877 4.527 0.001 0.000 0.346 578 F C -0.051 175.618 175.800 -0.217 0.000 1.120 578 F CA -0.771 57.160 58.000 -0.116 0.000 1.033 578 F CB 0.749 39.777 39.000 0.045 0.000 1.126 578 F HN 0.276 nan 8.300 nan 0.000 0.462 579 F N 1.790 121.981 119.950 0.402 0.000 2.420 579 F HA 0.565 5.092 4.527 0.001 0.000 0.342 579 F C 0.272 176.289 175.800 0.361 0.000 1.113 579 F CA -0.640 57.581 58.000 0.368 0.000 1.059 579 F CB 1.838 41.023 39.000 0.308 0.000 1.128 579 F HN 0.335 nan 8.300 nan 0.000 0.475 580 S N 4.325 120.350 115.700 0.542 0.000 2.572 580 S HA 0.417 4.888 4.470 0.001 0.000 0.274 580 S C -2.011 172.858 174.600 0.447 0.000 1.150 580 S CA -1.500 56.988 58.200 0.480 0.000 0.944 580 S CB 1.726 65.207 63.200 0.468 0.000 1.071 580 S HN 0.265 nan 8.310 nan 0.000 0.479 581 P HA -0.118 nan 4.420 nan 0.000 0.217 581 P C 0.855 178.202 177.300 0.078 0.000 1.148 581 P CA 1.510 64.665 63.100 0.092 0.000 0.834 581 P CB -0.149 31.421 31.700 -0.218 0.000 0.783 582 F N -0.722 119.442 119.950 0.358 0.000 2.811 582 F HA 0.209 4.736 4.527 0.001 0.000 0.301 582 F C 2.370 178.545 175.800 0.625 0.000 1.151 582 F CA 0.347 58.623 58.000 0.459 0.000 1.412 582 F CB -0.705 38.543 39.000 0.412 0.000 1.113 582 F HN -0.072 nan 8.300 nan 0.000 0.579 583 A N -1.341 121.886 122.820 0.678 0.000 2.016 583 A HA -0.125 4.195 4.320 0.001 0.000 0.217 583 A C 1.293 179.278 177.584 0.668 0.000 1.162 583 A CA 1.215 53.648 52.037 0.661 0.000 0.662 583 A CB -0.495 18.833 19.000 0.546 0.000 0.812 583 A HN 0.526 nan 8.150 nan 0.000 0.450 584 Y N -2.179 118.382 120.300 0.436 0.000 2.825 584 Y HA 0.238 4.788 4.550 0.001 0.000 0.259 584 Y C 1.351 177.569 175.900 0.531 0.000 1.113 584 Y CA 0.087 58.459 58.100 0.453 0.000 1.241 584 Y CB 0.734 39.400 38.460 0.342 0.000 1.331 584 Y HN 0.005 nan 8.280 nan 0.000 0.570 585 V N 0.968 121.102 119.914 0.366 0.000 2.392 585 V HA -0.128 3.993 4.120 0.001 0.000 0.249 585 V C 0.307 176.529 176.094 0.214 0.000 1.059 585 V CA 2.513 64.940 62.300 0.212 0.000 1.051 585 V CB -0.152 31.646 31.823 -0.042 0.000 0.658 585 V HN 0.599 nan 8.190 nan 0.000 0.455 586 D N -3.593 116.799 120.400 -0.014 0.000 2.599 586 D HA 0.297 4.937 4.640 0.001 0.000 0.252 586 D C -2.515 173.273 176.300 -0.854 0.000 1.232 586 D CA -1.590 52.066 54.000 -0.574 0.000 0.819 586 D CB 0.881 41.427 40.800 -0.423 0.000 1.401 586 D HN -0.118 nan 8.370 nan 0.000 0.429 587 P HA -0.120 nan 4.420 nan 0.000 0.216 587 P C 1.782 178.893 177.300 -0.315 0.000 1.153 587 P CA 0.977 63.582 63.100 -0.826 0.000 0.858 587 P CB 0.146 31.442 31.700 -0.673 0.000 0.789 588 L N -1.396 119.695 121.223 -0.219 0.000 2.127 588 L HA -0.198 4.142 4.340 0.001 0.000 0.211 588 L C 2.241 179.078 176.870 -0.054 0.000 1.089 588 L CA 1.976 56.776 54.840 -0.067 0.000 0.757 588 L CB -1.034 41.036 42.059 0.018 0.000 0.899 588 L HN 0.126 nan 8.230 nan 0.000 0.434 589 H N -2.057 116.919 119.070 -0.157 0.000 2.448 589 H HA 0.008 4.564 4.556 0.001 0.000 0.292 589 H C 2.308 177.599 175.328 -0.062 0.000 1.035 589 H CA 0.910 56.886 56.048 -0.120 0.000 1.349 589 H CB 0.364 30.185 29.762 0.099 0.000 1.425 589 H HN 0.384 nan 8.280 nan 0.000 0.539 590 S N 0.900 116.671 115.700 0.118 0.000 2.353 590 S HA -0.154 4.317 4.470 0.001 0.000 0.222 590 S C 1.908 176.596 174.600 0.147 0.000 1.035 590 S CA 1.135 59.468 58.200 0.221 0.000 1.025 590 S CB -0.144 63.197 63.200 0.236 0.000 0.902 590 S HN 0.456 nan 8.310 nan 0.000 0.440 591 N N 0.997 119.744 118.700 0.079 0.000 2.132 591 N HA -0.070 4.670 4.740 0.001 0.000 0.191 591 N C 1.565 177.094 175.510 0.033 0.000 1.015 591 N CA 1.322 54.446 53.050 0.123 0.000 0.864 591 N CB -0.289 38.267 38.487 0.114 0.000 1.006 591 N HN 0.445 nan 8.380 nan 0.000 0.430 592 M N -0.549 118.933 119.600 -0.196 0.000 2.325 592 M HA 0.096 4.576 4.480 0.001 0.000 0.265 592 M C 2.174 178.339 176.300 -0.225 0.000 1.094 592 M CA 0.705 55.771 55.300 -0.390 0.000 1.161 592 M CB -0.137 31.836 32.600 -1.044 0.000 1.358 592 M HN 0.118 nan 8.290 nan 0.000 0.446 593 A N 0.322 123.036 122.820 -0.177 0.000 1.869 593 A HA -0.286 4.035 4.320 0.001 0.000 0.218 593 A C 2.013 179.766 177.584 0.283 0.000 1.203 593 A CA 2.125 54.381 52.037 0.364 0.000 0.638 593 A CB -1.401 17.859 19.000 0.434 0.000 0.831 593 A HN 0.604 nan 8.150 nan 0.000 0.450 594 Y N -0.255 120.072 120.300 0.045 0.000 2.070 594 Y HA -0.194 4.356 4.550 0.001 0.000 0.280 594 Y C 2.054 177.886 175.900 -0.113 0.000 1.148 594 Y CA 1.905 59.958 58.100 -0.079 0.000 1.125 594 Y CB -0.372 37.941 38.460 -0.246 0.000 0.975 594 Y HN 0.195 nan 8.280 nan 0.000 0.492 595 L N -0.014 121.210 121.223 0.002 0.000 2.129 595 L HA -0.250 4.091 4.340 0.001 0.000 0.212 595 L C 2.297 179.222 176.870 0.092 0.000 1.087 595 L CA 1.841 56.677 54.840 -0.007 0.000 0.757 595 L CB -1.897 40.240 42.059 0.129 0.000 0.896 595 L HN 0.544 nan 8.230 nan 0.000 0.434 596 Y N -0.561 119.776 120.300 0.061 0.000 2.133 596 Y HA -0.214 4.336 4.550 0.001 0.000 0.287 596 Y C 2.280 178.167 175.900 -0.022 0.000 1.134 596 Y CA 1.285 59.471 58.100 0.144 0.000 1.133 596 Y CB -0.553 38.075 38.460 0.279 0.000 0.987 596 Y HN 0.065 nan 8.280 nan 0.000 0.502 597 L N 0.986 121.977 121.223 -0.386 0.000 2.191 597 L HA -0.149 4.192 4.340 0.001 0.000 0.212 597 L C 2.339 178.951 176.870 -0.431 0.000 1.103 597 L CA 1.554 56.071 54.840 -0.538 0.000 0.769 597 L CB -1.146 40.680 42.059 -0.388 0.000 0.908 597 L HN 0.276 nan 8.230 nan 0.000 0.438 598 E N -0.772 119.179 120.200 -0.414 0.000 2.152 598 E HA -0.078 4.272 4.350 0.001 0.000 0.192 598 E C 2.378 178.858 176.600 -0.200 0.000 0.983 598 E CA 0.754 56.939 56.400 -0.359 0.000 0.818 598 E CB -0.027 29.408 29.700 -0.442 0.000 0.758 598 E HN 0.419 nan 8.360 nan 0.000 0.467 599 L N 0.181 121.334 121.223 -0.116 0.000 2.162 599 L HA -0.101 4.239 4.340 0.001 0.000 0.205 599 L C 2.379 179.124 176.870 -0.209 0.000 1.086 599 L CA 0.125 54.990 54.840 0.043 0.000 0.778 599 L CB -0.187 42.092 42.059 0.366 0.000 0.928 599 L HN 0.122 nan 8.230 nan 0.000 0.446 600 L N 0.267 121.148 121.223 -0.570 0.000 1.970 600 L HA -0.255 4.085 4.340 0.001 0.000 0.212 600 L C 2.494 179.102 176.870 -0.437 0.000 1.071 600 L CA 1.930 56.218 54.840 -0.921 0.000 0.751 600 L CB -0.550 40.993 42.059 -0.860 0.000 0.889 600 L HN 0.093 nan 8.230 nan 0.000 0.432 601 K N -0.732 119.507 120.400 -0.268 0.000 2.074 601 K HA -0.265 4.056 4.320 0.001 0.000 0.209 601 K C 1.863 178.433 176.600 -0.050 0.000 1.048 601 K CA 1.850 58.083 56.287 -0.089 0.000 0.926 601 K CB -0.407 32.008 32.500 -0.143 0.000 0.713 601 K HN 0.526 nan 8.250 nan 0.000 0.444 602 D N 0.258 120.612 120.400 -0.076 0.000 2.178 602 D HA -0.129 4.511 4.640 0.001 0.000 0.202 602 D C 1.899 178.208 176.300 0.016 0.000 0.974 602 D CA 1.616 55.606 54.000 -0.018 0.000 0.841 602 D CB 0.113 40.915 40.800 0.003 0.000 0.953 602 D HN 0.157 nan 8.370 nan 0.000 0.478 603 S N -0.804 114.900 115.700 0.006 0.000 2.470 603 S HA 0.050 4.520 4.470 0.001 0.000 0.222 603 S C 2.139 176.760 174.600 0.036 0.000 1.024 603 S CA -0.174 58.062 58.200 0.059 0.000 0.931 603 S CB -0.489 62.817 63.200 0.177 0.000 0.791 603 S HN 0.311 nan 8.310 nan 0.000 0.513 604 L N 2.177 123.391 121.223 -0.015 0.000 2.353 604 L HA -0.090 4.250 4.340 0.001 0.000 0.220 604 L C 2.787 179.726 176.870 0.114 0.000 1.133 604 L CA 1.066 55.913 54.840 0.011 0.000 0.798 604 L CB -0.785 41.250 42.059 -0.039 0.000 0.922 604 L HN 0.596 nan 8.230 nan 0.000 0.445 605 N N 0.453 119.217 118.700 0.106 0.000 2.036 605 N HA -0.257 4.483 4.740 0.001 0.000 0.195 605 N C 1.577 177.175 175.510 0.147 0.000 1.037 605 N CA 1.665 54.791 53.050 0.127 0.000 0.855 605 N CB 0.060 38.588 38.487 0.068 0.000 1.033 605 N HN 0.439 nan 8.380 nan 0.000 0.423 606 E N -0.524 119.753 120.200 0.128 0.000 2.085 606 E HA -0.243 4.107 4.350 0.001 0.000 0.194 606 E C 1.846 178.579 176.600 0.222 0.000 0.994 606 E CA 1.225 57.711 56.400 0.144 0.000 0.801 606 E CB -0.312 29.465 29.700 0.128 0.000 0.743 606 E HN 0.511 nan 8.360 nan 0.000 0.453 607 Y N 0.669 121.033 120.300 0.106 0.000 2.224 607 Y HA -0.186 4.365 4.550 0.001 0.000 0.289 607 Y C 2.066 178.032 175.900 0.111 0.000 1.146 607 Y CA 1.497 59.677 58.100 0.133 0.000 1.182 607 Y CB -0.011 38.502 38.460 0.089 0.000 0.983 607 Y HN -0.014 nan 8.280 nan 0.000 0.524 608 A N -1.586 121.316 122.820 0.137 0.000 2.178 608 A HA -0.039 4.281 4.320 0.001 0.000 0.211 608 A C 1.771 179.310 177.584 -0.074 0.000 1.157 608 A CA 0.428 52.445 52.037 -0.034 0.000 0.780 608 A CB -1.036 18.027 19.000 0.105 0.000 0.828 608 A HN 0.670 nan 8.150 nan 0.000 0.476 609 Y N 0.863 121.107 120.300 -0.092 0.000 2.133 609 Y HA -0.048 4.502 4.550 0.001 0.000 0.287 609 Y C 2.583 178.398 175.900 -0.142 0.000 1.134 609 Y CA 1.235 59.264 58.100 -0.118 0.000 1.133 609 Y CB -0.579 37.797 38.460 -0.140 0.000 0.987 609 Y HN 0.299 nan 8.280 nan 0.000 0.502 610 A N 0.773 123.572 122.820 -0.035 0.000 1.903 610 A HA -0.275 4.045 4.320 0.001 0.000 0.219 610 A C 2.432 179.914 177.584 -0.171 0.000 1.191 610 A CA 2.593 54.626 52.037 -0.008 0.000 0.638 610 A CB -1.649 17.471 19.000 0.200 0.000 0.823 610 A HN 0.646 nan 8.150 nan 0.000 0.451 611 A N -1.162 121.351 122.820 -0.513 0.000 1.930 611 A HA -0.134 4.186 4.320 0.001 0.000 0.217 611 A C 2.024 179.368 177.584 -0.402 0.000 1.175 611 A CA 1.578 53.100 52.037 -0.858 0.000 0.627 611 A CB -0.424 17.637 19.000 -1.565 0.000 0.815 611 A HN 0.567 nan 8.150 nan 0.000 0.443 612 E N 0.105 120.095 120.200 -0.350 0.000 2.017 612 E HA -0.172 4.178 4.350 0.001 0.000 0.193 612 E C 2.041 178.503 176.600 -0.230 0.000 0.997 612 E CA 1.231 57.470 56.400 -0.268 0.000 0.804 612 E CB -0.386 29.130 29.700 -0.308 0.000 0.757 612 E HN 0.647 nan 8.360 nan 0.000 0.448 613 L N 0.208 121.237 121.223 -0.323 0.000 2.151 613 L HA -0.226 4.115 4.340 0.001 0.000 0.215 613 L C 2.080 178.938 176.870 -0.020 0.000 1.084 613 L CA 1.309 56.041 54.840 -0.179 0.000 0.764 613 L CB -0.473 41.477 42.059 -0.183 0.000 0.891 613 L HN 0.066 nan 8.230 nan 0.000 0.435 614 A N -0.583 122.238 122.820 0.002 0.000 2.462 614 A HA 0.418 4.738 4.320 0.001 0.000 0.261 614 A C 1.532 179.247 177.584 0.218 0.000 1.323 614 A CA 0.504 52.614 52.037 0.122 0.000 0.913 614 A CB -0.388 18.709 19.000 0.162 0.000 1.028 614 A HN 0.524 nan 8.150 nan 0.000 0.511 615 G N -0.960 107.924 108.800 0.140 0.000 2.160 615 G HA2 -0.207 3.754 3.960 0.001 0.000 0.251 615 G HA3 -0.207 3.754 3.960 0.001 0.000 0.251 615 G C -0.036 174.865 174.900 0.001 0.000 1.008 615 G CA 0.478 45.652 45.100 0.123 0.000 0.724 615 G HN 0.647 nan 8.290 nan 0.000 0.514 616 L N 1.503 122.706 121.223 -0.034 0.000 2.325 616 L HA 0.696 5.036 4.340 0.001 0.000 0.281 616 L C 0.298 177.091 176.870 -0.129 0.000 1.004 616 L CA -0.099 54.688 54.840 -0.088 0.000 0.823 616 L CB 1.815 43.798 42.059 -0.127 0.000 1.236 616 L HN 0.449 nan 8.230 nan 0.000 0.415 617 S N 3.146 118.798 115.700 -0.081 0.000 2.595 617 S HA 0.652 5.123 4.470 0.001 0.000 0.281 617 S C -1.069 173.572 174.600 0.069 0.000 1.117 617 S CA -0.734 57.454 58.200 -0.021 0.000 0.873 617 S CB 2.017 65.183 63.200 -0.057 0.000 1.108 617 S HN 0.567 nan 8.310 nan 0.000 0.477 618 Y N -0.546 119.681 120.300 -0.122 0.000 2.570 618 Y HA 0.844 5.395 4.550 0.001 0.000 0.345 618 Y C -1.497 174.343 175.900 -0.100 0.000 1.014 618 Y CA -0.941 57.091 58.100 -0.113 0.000 1.063 618 Y CB 1.863 40.253 38.460 -0.116 0.000 1.272 618 Y HN 0.605 nan 8.280 nan 0.000 0.477 619 D N 2.796 123.079 120.400 -0.195 0.000 2.620 619 D HA 0.406 5.047 4.640 0.001 0.000 0.252 619 D C -2.119 174.059 176.300 -0.202 0.000 1.207 619 D CA -0.229 53.627 54.000 -0.240 0.000 0.884 619 D CB 2.049 42.815 40.800 -0.056 0.000 1.262 619 D HN 0.697 nan 8.370 nan 0.000 0.552 620 L N 4.408 125.494 121.223 -0.227 0.000 2.446 620 L HA 0.475 4.816 4.340 0.001 0.000 0.268 620 L C -1.593 175.228 176.870 -0.082 0.000 0.975 620 L CA -0.172 54.597 54.840 -0.119 0.000 0.848 620 L CB 1.255 43.258 42.059 -0.092 0.000 1.225 620 L HN 0.480 nan 8.230 nan 0.000 0.410 621 Q N 2.465 122.298 119.800 0.054 0.000 2.418 621 Q HA 0.432 4.772 4.340 0.001 0.000 0.282 621 Q C -1.445 174.638 176.000 0.139 0.000 1.044 621 Q CA -0.943 54.896 55.803 0.060 0.000 0.813 621 Q CB 1.645 30.438 28.738 0.092 0.000 1.428 621 Q HN 0.769 nan 8.270 nan 0.000 0.402 622 N N 0.469 119.242 118.700 0.121 0.000 2.513 622 N HA 0.280 5.021 4.740 0.001 0.000 0.268 622 N C -0.212 175.408 175.510 0.184 0.000 1.180 622 N CA -0.027 53.138 53.050 0.191 0.000 0.948 622 N CB 1.190 39.819 38.487 0.236 0.000 1.083 622 N HN 0.781 nan 8.380 nan 0.000 0.455 623 T N -1.792 112.872 114.554 0.183 0.000 2.919 623 T HA 0.293 4.644 4.350 0.001 0.000 0.282 623 T C 1.289 175.957 174.700 -0.053 0.000 1.020 623 T CA -1.061 61.086 62.100 0.079 0.000 0.994 623 T CB 0.595 69.541 68.868 0.130 0.000 1.180 623 T HN 0.616 nan 8.240 nan 0.000 0.566 624 I N -1.906 118.440 120.570 -0.374 0.000 3.001 624 I HA 0.115 4.286 4.170 0.001 0.000 0.268 624 I C 1.104 176.976 176.117 -0.407 0.000 1.267 624 I CA 0.743 61.506 61.300 -0.896 0.000 1.472 624 I CB -0.548 36.671 38.000 -1.300 0.000 1.089 624 I HN 0.596 nan 8.210 nan 0.000 0.468 625 Y N 1.293 121.692 120.300 0.165 0.000 2.444 625 Y HA 0.490 5.041 4.550 0.001 0.000 0.252 625 Y C 1.652 177.780 175.900 0.380 0.000 1.091 625 Y CA 0.038 58.346 58.100 0.347 0.000 1.276 625 Y CB 1.056 39.802 38.460 0.477 0.000 1.170 625 Y HN 0.339 nan 8.280 nan 0.000 0.517 626 G N 0.016 109.061 108.800 0.407 0.000 2.419 626 G HA2 0.188 4.148 3.960 0.001 0.000 0.061 626 G HA3 0.188 4.148 3.960 0.001 0.000 0.061 626 G C -1.191 173.899 174.900 0.317 0.000 0.907 626 G CA -0.758 44.566 45.100 0.373 0.000 1.174 626 G HN -0.087 nan 8.290 nan 0.000 0.468 627 M N 0.140 119.930 119.600 0.316 0.000 2.518 627 M HA 0.626 5.107 4.480 0.001 0.000 0.300 627 M C -1.486 175.081 176.300 0.443 0.000 1.175 627 M CA -0.757 54.732 55.300 0.315 0.000 0.890 627 M CB 3.025 35.736 32.600 0.184 0.000 1.710 627 M HN 0.565 nan 8.290 nan 0.000 0.453 628 Y N 3.017 123.460 120.300 0.238 0.000 2.393 628 Y HA 0.805 5.355 4.550 0.001 0.000 0.341 628 Y C -1.965 174.061 175.900 0.210 0.000 0.988 628 Y CA -1.072 57.171 58.100 0.238 0.000 1.078 628 Y CB 1.296 39.861 38.460 0.174 0.000 1.203 628 Y HN 0.662 nan 8.280 nan 0.000 0.453 629 L N 5.958 126.909 121.223 -0.453 0.000 2.464 629 L HA 0.589 4.929 4.340 0.001 0.000 0.266 629 L C -1.750 174.810 176.870 -0.518 0.000 0.965 629 L CA -0.202 54.431 54.840 -0.345 0.000 0.833 629 L CB 1.980 44.079 42.059 0.066 0.000 1.296 629 L HN 0.752 nan 8.230 nan 0.000 0.405 630 S N 3.778 119.208 115.700 -0.449 0.000 2.571 630 S HA 0.767 5.238 4.470 0.001 0.000 0.284 630 S C -1.406 173.150 174.600 -0.072 0.000 1.128 630 S CA -0.380 57.644 58.200 -0.294 0.000 0.970 630 S CB 1.809 64.778 63.200 -0.386 0.000 1.039 630 S HN 0.376 nan 8.310 nan 0.000 0.485 631 V N 5.719 125.635 119.914 0.002 0.000 2.444 631 V HA 0.582 4.702 4.120 0.001 0.000 0.294 631 V C -0.301 175.782 176.094 -0.018 0.000 1.022 631 V CA -0.697 61.615 62.300 0.021 0.000 0.850 631 V CB 1.501 33.355 31.823 0.053 0.000 0.992 631 V HN 0.815 nan 8.190 nan 0.000 0.426 632 K N 2.713 123.085 120.400 -0.048 0.000 2.328 632 K HA 0.908 5.228 4.320 0.001 0.000 0.246 632 K C 0.216 176.746 176.600 -0.117 0.000 0.955 632 K CA -0.290 55.943 56.287 -0.090 0.000 0.817 632 K CB 2.590 35.025 32.500 -0.108 0.000 1.208 632 K HN 1.025 nan 8.250 nan 0.000 0.432 633 G N 0.482 109.178 108.800 -0.174 0.000 2.298 633 G HA2 -0.129 3.831 3.960 0.001 0.000 0.309 633 G HA3 -0.129 3.831 3.960 0.001 0.000 0.309 633 G C -1.627 173.111 174.900 -0.269 0.000 1.279 633 G CA -1.065 43.867 45.100 -0.279 0.000 1.042 633 G HN 0.350 nan 8.290 nan 0.000 0.480 634 Y N 2.494 122.785 120.300 -0.016 0.000 2.721 634 Y HA 0.107 4.657 4.550 0.001 0.000 0.329 634 Y C 2.270 178.153 175.900 -0.029 0.000 1.211 634 Y CA 0.645 58.734 58.100 -0.019 0.000 1.512 634 Y CB 0.387 38.862 38.460 0.024 0.000 1.249 634 Y HN 0.636 nan 8.280 nan 0.000 0.549 635 N N 1.095 119.859 118.700 0.107 0.000 2.381 635 N HA -0.212 4.528 4.740 0.001 0.000 0.182 635 N C 1.175 176.713 175.510 0.047 0.000 1.025 635 N CA 1.179 54.261 53.050 0.054 0.000 0.888 635 N CB -0.108 38.399 38.487 0.035 0.000 0.965 635 N HN 0.748 nan 8.380 nan 0.000 0.438 636 D N 1.747 122.161 120.400 0.023 0.000 2.205 636 D HA -0.179 4.461 4.640 0.001 0.000 0.190 636 D C 1.064 177.379 176.300 0.024 0.000 1.002 636 D CA 1.729 55.711 54.000 -0.030 0.000 0.848 636 D CB 0.024 40.736 40.800 -0.147 0.000 0.975 636 D HN 0.081 nan 8.370 nan 0.000 0.449 637 K N 0.381 120.832 120.400 0.086 0.000 2.437 637 K HA 0.080 4.401 4.320 0.001 0.000 0.198 637 K C 1.753 178.451 176.600 0.165 0.000 1.024 637 K CA 0.022 56.398 56.287 0.149 0.000 1.148 637 K CB 0.099 32.780 32.500 0.301 0.000 0.860 637 K HN 0.405 nan 8.250 nan 0.000 0.515 638 Q N 1.059 120.923 119.800 0.107 0.000 2.061 638 Q HA -0.130 4.210 4.340 0.001 0.000 0.204 638 Q C -0.888 175.162 176.000 0.084 0.000 0.984 638 Q CA 1.876 57.730 55.803 0.085 0.000 0.846 638 Q CB -0.553 28.224 28.738 0.065 0.000 0.902 638 Q HN 0.119 nan 8.270 nan 0.000 0.421 639 P HA -0.197 nan 4.420 nan 0.000 0.215 639 P C 0.871 178.213 177.300 0.070 0.000 1.153 639 P CA 1.119 64.257 63.100 0.064 0.000 0.853 639 P CB -0.071 31.660 31.700 0.051 0.000 0.788 640 I N -1.362 119.271 120.570 0.105 0.000 2.163 640 I HA -0.198 3.973 4.170 0.001 0.000 0.243 640 I C 2.238 178.464 176.117 0.181 0.000 1.085 640 I CA 1.481 62.863 61.300 0.137 0.000 1.347 640 I CB -1.728 36.375 38.000 0.171 0.000 1.044 640 I HN 0.006 nan 8.210 nan 0.000 0.408 641 L N 0.442 121.794 121.223 0.215 0.000 2.023 641 L HA -0.092 4.248 4.340 0.001 0.000 0.205 641 L C 2.396 179.262 176.870 -0.008 0.000 1.073 641 L CA 1.465 56.402 54.840 0.162 0.000 0.745 641 L CB -0.772 41.307 42.059 0.034 0.000 0.900 641 L HN 0.095 nan 8.230 nan 0.000 0.435 642 L N -0.252 120.958 121.223 -0.021 0.000 1.963 642 L HA -0.322 4.018 4.340 0.001 0.000 0.220 642 L C 2.726 179.540 176.870 -0.093 0.000 1.076 642 L CA 2.127 56.923 54.840 -0.073 0.000 0.772 642 L CB -0.601 41.441 42.059 -0.028 0.000 0.892 642 L HN 0.414 nan 8.230 nan 0.000 0.435 643 K N 0.271 120.642 120.400 -0.048 0.000 2.034 643 K HA -0.312 4.008 4.320 0.001 0.000 0.214 643 K C 2.126 178.662 176.600 -0.107 0.000 1.051 643 K CA 2.328 58.579 56.287 -0.060 0.000 0.931 643 K CB -0.250 32.236 32.500 -0.023 0.000 0.715 643 K HN 0.188 nan 8.250 nan 0.000 0.446 644 K N 0.808 121.144 120.400 -0.107 0.000 2.063 644 K HA -0.111 4.210 4.320 0.001 0.000 0.208 644 K C 2.124 178.582 176.600 -0.236 0.000 1.048 644 K CA 1.346 57.511 56.287 -0.203 0.000 0.928 644 K CB -0.225 32.087 32.500 -0.313 0.000 0.713 644 K HN 0.151 nan 8.250 nan 0.000 0.442 645 I N 0.550 120.980 120.570 -0.233 0.000 2.076 645 I HA -0.311 3.859 4.170 0.001 0.000 0.237 645 I C 1.973 177.955 176.117 -0.224 0.000 1.059 645 I CA 1.044 62.186 61.300 -0.264 0.000 1.317 645 I CB -0.384 37.438 38.000 -0.296 0.000 1.037 645 I HN 0.132 nan 8.210 nan 0.000 0.398 646 I N 0.605 121.055 120.570 -0.199 0.000 2.185 646 I HA -0.331 3.839 4.170 0.001 0.000 0.246 646 I C 2.490 178.500 176.117 -0.179 0.000 1.088 646 I CA 1.801 62.994 61.300 -0.177 0.000 1.347 646 I CB -1.488 36.431 38.000 -0.135 0.000 1.041 646 I HN 0.412 nan 8.210 nan 0.000 0.415 647 E N 0.771 120.848 120.200 -0.204 0.000 2.038 647 E HA -0.241 4.110 4.350 0.001 0.000 0.195 647 E C 2.230 178.674 176.600 -0.259 0.000 1.000 647 E CA 1.217 57.440 56.400 -0.297 0.000 0.803 647 E CB -0.000 29.539 29.700 -0.267 0.000 0.750 647 E HN 0.217 nan 8.360 nan 0.000 0.448 648 K N 0.434 120.714 120.400 -0.200 0.000 2.362 648 K HA -0.118 4.203 4.320 0.001 0.000 0.200 648 K C 2.038 178.605 176.600 -0.056 0.000 1.046 648 K CA 0.816 57.025 56.287 -0.130 0.000 0.952 648 K CB -0.021 32.373 32.500 -0.177 0.000 0.753 648 K HN 0.284 nan 8.250 nan 0.000 0.466 649 M N -1.258 118.283 119.600 -0.098 0.000 2.325 649 M HA 0.053 4.533 4.480 0.001 0.000 0.265 649 M C 1.682 178.040 176.300 0.097 0.000 1.094 649 M CA 1.175 56.467 55.300 -0.014 0.000 1.161 649 M CB 0.040 32.557 32.600 -0.138 0.000 1.358 649 M HN -0.046 nan 8.290 nan 0.000 0.446 650 A N 0.383 123.193 122.820 -0.017 0.000 2.235 650 A HA 0.039 4.359 4.320 0.001 0.000 0.208 650 A C 1.609 179.194 177.584 0.002 0.000 1.172 650 A CA 1.285 53.317 52.037 -0.010 0.000 0.786 650 A CB -0.835 18.149 19.000 -0.026 0.000 0.804 650 A HN 0.723 nan 8.150 nan 0.000 0.479 651 T N -5.176 109.382 114.554 0.007 0.000 3.144 651 T HA 0.278 4.629 4.350 0.001 0.000 0.290 651 T C 0.029 174.775 174.700 0.076 0.000 0.966 651 T CA -0.486 61.621 62.100 0.011 0.000 0.907 651 T CB -0.595 68.231 68.868 -0.070 0.000 1.152 651 T HN 0.094 nan 8.240 nan 0.000 0.532 652 F N 3.484 123.422 119.950 -0.019 0.000 2.602 652 F HA 0.384 4.912 4.527 0.001 0.000 0.385 652 F C 0.210 176.014 175.800 0.005 0.000 1.063 652 F CA -0.711 57.299 58.000 0.017 0.000 1.233 652 F CB 0.178 39.254 39.000 0.127 0.000 1.067 652 F HN 0.191 nan 8.300 nan 0.000 0.564 653 E N 5.921 125.740 120.200 -0.635 0.000 2.171 653 E HA 0.407 4.758 4.350 0.001 0.000 0.271 653 E C -0.660 175.311 176.600 -1.049 0.000 0.916 653 E CA -0.756 55.238 56.400 -0.676 0.000 0.774 653 E CB 1.660 31.173 29.700 -0.312 0.000 1.128 653 E HN 0.499 nan 8.360 nan 0.000 0.403 654 I N 2.122 122.234 120.570 -0.762 0.000 2.519 654 I HA 0.036 4.207 4.170 0.001 0.000 0.287 654 I C 0.359 176.342 176.117 -0.224 0.000 1.047 654 I CA -0.024 60.976 61.300 -0.500 0.000 1.381 654 I CB 0.552 38.392 38.000 -0.268 0.000 1.417 654 I HN 0.436 nan 8.210 nan 0.000 0.540 655 D N 5.198 125.563 120.400 -0.058 0.000 2.280 655 D HA 0.029 4.669 4.640 0.001 0.000 0.243 655 D C 0.900 177.229 176.300 0.048 0.000 1.129 655 D CA -0.230 53.766 54.000 -0.007 0.000 0.848 655 D CB 1.401 42.220 40.800 0.032 0.000 1.107 655 D HN 0.587 nan 8.370 nan 0.000 0.471 656 E N 3.892 124.098 120.200 0.010 0.000 2.110 656 E HA -0.315 4.035 4.350 0.001 0.000 0.225 656 E C 1.280 177.959 176.600 0.132 0.000 1.063 656 E CA 2.090 58.519 56.400 0.050 0.000 0.906 656 E CB 0.129 29.835 29.700 0.009 0.000 0.795 656 E HN 0.317 nan 8.360 nan 0.000 0.479 657 K N 0.096 120.543 120.400 0.079 0.000 2.044 657 K HA -0.094 4.226 4.320 0.001 0.000 0.210 657 K C 2.196 178.853 176.600 0.094 0.000 1.049 657 K CA 1.692 58.021 56.287 0.071 0.000 0.927 657 K CB -0.240 32.272 32.500 0.020 0.000 0.713 657 K HN 0.111 nan 8.250 nan 0.000 0.443 658 R N -0.371 120.191 120.500 0.104 0.000 2.097 658 R HA -0.173 4.168 4.340 0.001 0.000 0.236 658 R C 2.360 178.750 176.300 0.151 0.000 1.135 658 R CA 1.788 57.957 56.100 0.116 0.000 0.934 658 R CB -1.188 29.194 30.300 0.136 0.000 0.846 658 R HN 0.312 nan 8.270 nan 0.000 0.431 659 F N 2.385 122.372 119.950 0.062 0.000 2.115 659 F HA -0.274 4.253 4.527 0.001 0.000 0.300 659 F C 2.332 178.171 175.800 0.066 0.000 1.092 659 F CA 1.987 60.030 58.000 0.071 0.000 1.245 659 F CB -0.143 38.890 39.000 0.056 0.000 0.995 659 F HN -0.003 nan 8.300 nan 0.000 0.481 660 E N 0.645 120.911 120.200 0.109 0.000 2.072 660 E HA -0.147 4.203 4.350 0.001 0.000 0.191 660 E C 2.215 178.782 176.600 -0.056 0.000 0.985 660 E CA 1.666 58.063 56.400 -0.005 0.000 0.801 660 E CB -0.423 29.341 29.700 0.106 0.000 0.750 660 E HN 0.580 nan 8.360 nan 0.000 0.452 661 I N 0.012 120.581 120.570 -0.001 0.000 2.202 661 I HA -0.243 3.927 4.170 0.001 0.000 0.242 661 I C 2.108 178.224 176.117 -0.002 0.000 1.091 661 I CA 0.946 62.251 61.300 0.009 0.000 1.368 661 I CB -0.176 37.843 38.000 0.032 0.000 1.058 661 I HN 0.135 nan 8.210 nan 0.000 0.410 662 I N 0.478 121.040 120.570 -0.013 0.000 2.315 662 I HA -0.284 3.886 4.170 0.001 0.000 0.248 662 I C 2.590 178.718 176.117 0.019 0.000 1.117 662 I CA 1.158 62.465 61.300 0.010 0.000 1.404 662 I CB -0.358 37.651 38.000 0.014 0.000 1.071 662 I HN 0.194 nan 8.210 nan 0.000 0.419 663 K N 0.919 121.251 120.400 -0.114 0.000 2.032 663 K HA -0.270 4.050 4.320 0.001 0.000 0.209 663 K C 2.242 178.835 176.600 -0.013 0.000 1.048 663 K CA 1.662 57.889 56.287 -0.102 0.000 0.927 663 K CB -0.091 32.191 32.500 -0.363 0.000 0.712 663 K HN 0.140 nan 8.250 nan 0.000 0.441 664 E N 0.479 120.658 120.200 -0.034 0.000 2.077 664 E HA -0.172 4.178 4.350 0.001 0.000 0.193 664 E C 1.758 178.366 176.600 0.013 0.000 0.989 664 E CA 1.311 57.702 56.400 -0.014 0.000 0.800 664 E CB -0.123 29.572 29.700 -0.009 0.000 0.746 664 E HN 0.402 nan 8.360 nan 0.000 0.452 665 A N 0.422 123.269 122.820 0.045 0.000 1.902 665 A HA -0.212 4.108 4.320 0.001 0.000 0.217 665 A C 2.166 179.825 177.584 0.125 0.000 1.181 665 A CA 1.594 53.675 52.037 0.074 0.000 0.623 665 A CB -0.962 18.088 19.000 0.083 0.000 0.818 665 A HN 0.476 nan 8.150 nan 0.000 0.443 666 Y N 0.044 120.351 120.300 0.012 0.000 2.242 666 Y HA -0.147 4.403 4.550 0.001 0.000 0.291 666 Y C 2.290 178.161 175.900 -0.048 0.000 1.137 666 Y CA 1.651 59.752 58.100 0.002 0.000 1.181 666 Y CB -0.500 37.990 38.460 0.050 0.000 0.989 666 Y HN 0.399 nan 8.280 nan 0.000 0.527 667 M N 0.024 119.506 119.600 -0.196 0.000 2.080 667 M HA -0.245 4.236 4.480 0.001 0.000 0.260 667 M C 2.262 178.460 176.300 -0.171 0.000 1.068 667 M CA 2.022 57.165 55.300 -0.263 0.000 1.109 667 M CB -0.270 32.244 32.600 -0.145 0.000 1.342 667 M HN 0.146 nan 8.290 nan 0.000 0.405 668 R N -0.106 120.348 120.500 -0.077 0.000 2.080 668 R HA -0.166 4.174 4.340 0.001 0.000 0.236 668 R C 2.581 178.865 176.300 -0.027 0.000 1.137 668 R CA 1.945 58.023 56.100 -0.037 0.000 0.943 668 R CB -0.845 29.451 30.300 -0.005 0.000 0.846 668 R HN 0.614 nan 8.270 nan 0.000 0.431 669 S N 1.026 116.723 115.700 -0.004 0.000 2.378 669 S HA -0.218 4.253 4.470 0.001 0.000 0.229 669 S C 1.995 176.580 174.600 -0.026 0.000 1.052 669 S CA 1.563 59.777 58.200 0.024 0.000 1.084 669 S CB -0.351 62.912 63.200 0.105 0.000 0.950 669 S HN 0.291 nan 8.310 nan 0.000 0.440 670 L N 1.347 122.476 121.223 -0.157 0.000 2.017 670 L HA -0.110 4.231 4.340 0.001 0.000 0.208 670 L C 2.770 179.595 176.870 -0.076 0.000 1.073 670 L CA 1.523 56.251 54.840 -0.187 0.000 0.745 670 L CB -0.757 41.083 42.059 -0.365 0.000 0.894 670 L HN 0.403 nan 8.230 nan 0.000 0.432 671 N N 0.464 119.122 118.700 -0.069 0.000 2.149 671 N HA -0.193 4.547 4.740 0.001 0.000 0.188 671 N C 1.426 176.959 175.510 0.039 0.000 1.019 671 N CA 1.366 54.408 53.050 -0.013 0.000 0.857 671 N CB -0.453 38.019 38.487 -0.025 0.000 0.997 671 N HN 0.476 nan 8.380 nan 0.000 0.426 672 N N -0.169 118.556 118.700 0.042 0.000 2.520 672 N HA -0.090 4.650 4.740 0.001 0.000 0.185 672 N C 1.256 176.824 175.510 0.096 0.000 1.068 672 N CA 0.018 53.104 53.050 0.060 0.000 0.911 672 N CB -0.128 38.389 38.487 0.051 0.000 0.961 672 N HN 0.133 nan 8.380 nan 0.000 0.446 673 F N 2.269 122.188 119.950 -0.051 0.000 2.216 673 F HA -0.096 4.431 4.527 0.001 0.000 0.300 673 F C 2.390 178.237 175.800 0.077 0.000 1.085 673 F CA 1.057 59.018 58.000 -0.064 0.000 1.326 673 F CB -0.098 38.759 39.000 -0.238 0.000 1.027 673 F HN -0.071 nan 8.300 nan 0.000 0.497 674 R N 0.433 121.023 120.500 0.151 0.000 2.165 674 R HA -0.254 4.086 4.340 0.001 0.000 0.254 674 R C 1.727 178.099 176.300 0.120 0.000 1.153 674 R CA 1.721 57.918 56.100 0.161 0.000 0.971 674 R CB -0.626 29.740 30.300 0.109 0.000 0.878 674 R HN 0.333 nan 8.270 nan 0.000 0.449 675 A N 0.554 123.397 122.820 0.037 0.000 2.345 675 A HA 0.117 4.437 4.320 0.001 0.000 0.225 675 A C -0.051 177.557 177.584 0.039 0.000 1.243 675 A CA -0.253 51.793 52.037 0.015 0.000 0.875 675 A CB 0.067 19.069 19.000 0.002 0.000 0.929 675 A HN 0.248 nan 8.150 nan 0.000 0.502 676 E N 0.088 120.191 120.200 -0.161 0.000 2.369 676 E HA 0.165 4.515 4.350 0.001 0.000 0.255 676 E C -0.203 176.105 176.600 -0.485 0.000 1.172 676 E CA -0.277 55.927 56.400 -0.328 0.000 0.932 676 E CB 0.299 29.580 29.700 -0.698 0.000 1.040 676 E HN 0.385 nan 8.360 nan 0.000 0.454 677 Q N 1.018 120.492 119.800 -0.542 0.000 2.364 677 Q HA 0.033 4.373 4.340 0.001 0.000 0.267 677 Q C -1.789 173.858 176.000 -0.589 0.000 0.999 677 Q CA -0.876 54.517 55.803 -0.684 0.000 0.886 677 Q CB 0.732 29.248 28.738 -0.369 0.000 1.243 677 Q HN 0.098 nan 8.270 nan 0.000 0.415 678 P HA -0.260 nan 4.420 nan 0.000 0.216 678 P C 0.687 177.966 177.300 -0.034 0.000 1.153 678 P CA 1.744 64.722 63.100 -0.203 0.000 0.858 678 P CB -0.099 31.567 31.700 -0.057 0.000 0.789 679 H N -0.179 118.850 119.070 -0.069 0.000 2.387 679 H HA -0.108 4.448 4.556 0.001 0.000 0.299 679 H C 1.612 176.954 175.328 0.025 0.000 1.090 679 H CA 1.501 57.551 56.048 0.002 0.000 1.332 679 H CB -0.953 28.802 29.762 -0.012 0.000 1.386 679 H HN 0.192 nan 8.280 nan 0.000 0.516 680 Q N 0.294 119.710 119.800 -0.640 0.000 2.079 680 Q HA -0.091 4.250 4.340 0.001 0.000 0.200 680 Q C 2.380 178.395 176.000 0.025 0.000 0.974 680 Q CA 1.259 56.856 55.803 -0.344 0.000 0.840 680 Q CB -0.182 28.314 28.738 -0.403 0.000 0.898 680 Q HN 0.728 nan 8.270 nan 0.000 0.430 681 H N -0.327 118.635 119.070 -0.180 0.000 2.353 681 H HA -0.190 4.366 4.556 0.001 0.000 0.298 681 H C 2.079 177.399 175.328 -0.013 0.000 1.103 681 H CA 0.731 56.720 56.048 -0.098 0.000 1.293 681 H CB 0.059 29.802 29.762 -0.031 0.000 1.372 681 H HN 0.359 nan 8.280 nan 0.000 0.501 682 A N 1.173 124.152 122.820 0.265 0.000 1.877 682 A HA -0.202 4.118 4.320 0.001 0.000 0.216 682 A C 2.490 180.211 177.584 0.229 0.000 1.186 682 A CA 1.685 53.914 52.037 0.320 0.000 0.620 682 A CB -0.615 18.550 19.000 0.275 0.000 0.822 682 A HN 0.295 nan 8.150 nan 0.000 0.443 683 M N -2.246 117.441 119.600 0.145 0.000 2.175 683 M HA -0.107 4.373 4.480 0.001 0.000 0.264 683 M C 2.261 178.609 176.300 0.080 0.000 1.063 683 M CA 1.847 57.200 55.300 0.089 0.000 1.119 683 M CB -0.559 32.068 32.600 0.046 0.000 1.377 683 M HN 0.598 nan 8.290 nan 0.000 0.415 684 Y N 0.677 120.945 120.300 -0.052 0.000 2.114 684 Y HA -0.286 4.264 4.550 0.001 0.000 0.284 684 Y C 2.006 177.837 175.900 -0.114 0.000 1.143 684 Y CA 1.614 59.632 58.100 -0.137 0.000 1.135 684 Y CB -0.718 37.627 38.460 -0.191 0.000 0.980 684 Y HN 0.109 nan 8.280 nan 0.000 0.499 685 Y N -0.602 119.639 120.300 -0.098 0.000 2.274 685 Y HA -0.167 4.384 4.550 0.001 0.000 0.290 685 Y C 2.325 178.095 175.900 -0.216 0.000 1.145 685 Y CA 1.153 59.121 58.100 -0.219 0.000 1.203 685 Y CB -1.063 37.464 38.460 0.111 0.000 0.984 685 Y HN 0.265 nan 8.280 nan 0.000 0.533 686 L N 0.195 121.447 121.223 0.049 0.000 2.093 686 L HA -0.106 4.235 4.340 0.001 0.000 0.208 686 L C 2.550 179.362 176.870 -0.096 0.000 1.085 686 L CA 1.551 56.386 54.840 -0.009 0.000 0.755 686 L CB -0.490 41.580 42.059 0.018 0.000 0.904 686 L HN 0.046 nan 8.230 nan 0.000 0.435 687 R N -0.926 119.493 120.500 -0.135 0.000 2.075 687 R HA -0.099 4.241 4.340 0.001 0.000 0.232 687 R C 2.240 178.419 176.300 -0.200 0.000 1.126 687 R CA 1.404 57.408 56.100 -0.161 0.000 0.963 687 R CB -0.245 29.968 30.300 -0.145 0.000 0.858 687 R HN 0.386 nan 8.270 nan 0.000 0.435 688 L N 0.415 121.467 121.223 -0.285 0.000 2.017 688 L HA -0.219 4.121 4.340 0.001 0.000 0.208 688 L C 2.372 179.122 176.870 -0.201 0.000 1.073 688 L CA 1.343 56.009 54.840 -0.291 0.000 0.745 688 L CB -0.453 41.374 42.059 -0.386 0.000 0.894 688 L HN 0.305 nan 8.230 nan 0.000 0.432 689 L N -1.238 119.873 121.223 -0.187 0.000 2.093 689 L HA -0.188 4.152 4.340 0.001 0.000 0.208 689 L C 2.353 179.268 176.870 0.074 0.000 1.085 689 L CA 0.918 55.694 54.840 -0.107 0.000 0.755 689 L CB -0.215 41.700 42.059 -0.241 0.000 0.904 689 L HN 0.317 nan 8.230 nan 0.000 0.435 690 M N -1.330 118.284 119.600 0.024 0.000 2.502 690 M HA 0.104 4.585 4.480 0.001 0.000 0.243 690 M C 0.455 176.769 176.300 0.023 0.000 1.130 690 M CA 0.494 55.841 55.300 0.078 0.000 1.055 690 M CB -0.528 32.108 32.600 0.059 0.000 1.457 690 M HN 0.029 nan 8.290 nan 0.000 0.488 691 T N -0.352 114.170 114.554 -0.053 0.000 2.902 691 T HA 0.199 4.549 4.350 0.001 0.000 0.283 691 T C 1.133 175.766 174.700 -0.112 0.000 1.009 691 T CA -0.580 61.463 62.100 -0.096 0.000 1.051 691 T CB 2.563 71.310 68.868 -0.201 0.000 0.999 691 T HN 0.250 nan 8.240 nan 0.000 0.474 692 E N 1.498 121.663 120.200 -0.058 0.000 2.051 692 E HA -0.056 4.295 4.350 0.001 0.000 0.192 692 E C -0.074 176.470 176.600 -0.094 0.000 0.991 692 E CA 0.928 57.333 56.400 0.008 0.000 0.799 692 E CB 0.270 30.102 29.700 0.220 0.000 0.748 692 E HN 0.362 nan 8.360 nan 0.000 0.449 693 V N 0.110 119.845 119.914 -0.297 0.000 2.638 693 V HA 0.660 4.780 4.120 0.001 0.000 0.306 693 V C -1.013 174.666 176.094 -0.692 0.000 1.052 693 V CA -0.233 61.770 62.300 -0.495 0.000 0.885 693 V CB 1.628 33.275 31.823 -0.294 0.000 0.999 693 V HN 0.269 nan 8.190 nan 0.000 0.424 694 A N 4.584 126.989 122.820 -0.692 0.000 2.541 694 A HA 0.557 4.877 4.320 0.001 0.000 0.285 694 A C -1.295 176.050 177.584 -0.399 0.000 1.058 694 A CA -0.676 51.068 52.037 -0.489 0.000 0.886 694 A CB 0.390 19.195 19.000 -0.325 0.000 1.411 694 A HN 0.762 nan 8.150 nan 0.000 0.403 695 W N 2.008 123.275 121.300 -0.056 0.000 2.170 695 W HA 0.467 5.127 4.660 0.001 0.000 0.336 695 W C 1.185 177.684 176.519 -0.033 0.000 1.283 695 W CA 0.422 57.711 57.345 -0.095 0.000 1.224 695 W CB 1.043 30.395 29.460 -0.180 0.000 1.132 695 W HN 0.746 nan 8.180 nan 0.000 0.571 696 T N -0.783 113.916 114.554 0.241 0.000 2.943 696 T HA 0.262 4.612 4.350 0.001 0.000 0.284 696 T C 1.047 175.832 174.700 0.142 0.000 1.015 696 T CA -0.962 61.239 62.100 0.169 0.000 1.042 696 T CB 1.590 70.543 68.868 0.141 0.000 1.055 696 T HN 0.263 nan 8.240 nan 0.000 0.500 697 K N 0.902 121.376 120.400 0.125 0.000 2.211 697 K HA -0.082 4.239 4.320 0.001 0.000 0.204 697 K C 1.549 178.138 176.600 -0.019 0.000 1.047 697 K CA 1.185 57.448 56.287 -0.040 0.000 0.935 697 K CB -0.567 31.797 32.500 -0.226 0.000 0.728 697 K HN 0.645 nan 8.250 nan 0.000 0.452 698 D N 0.773 121.200 120.400 0.046 0.000 2.103 698 D HA -0.086 4.554 4.640 0.001 0.000 0.199 698 D C 1.852 178.156 176.300 0.007 0.000 0.978 698 D CA 0.850 54.869 54.000 0.032 0.000 0.829 698 D CB 0.047 40.891 40.800 0.073 0.000 0.981 698 D HN 0.304 nan 8.370 nan 0.000 0.464 699 E N 0.294 120.512 120.200 0.030 0.000 2.038 699 E HA -0.154 4.196 4.350 0.001 0.000 0.195 699 E C 2.380 178.945 176.600 -0.060 0.000 1.000 699 E CA 0.700 57.096 56.400 -0.006 0.000 0.803 699 E CB -0.156 29.574 29.700 0.049 0.000 0.750 699 E HN 0.235 nan 8.360 nan 0.000 0.448 700 L N 0.937 122.137 121.223 -0.039 0.000 2.042 700 L HA -0.233 4.107 4.340 0.001 0.000 0.210 700 L C 2.652 179.452 176.870 -0.118 0.000 1.076 700 L CA 1.301 56.100 54.840 -0.068 0.000 0.749 700 L CB -0.479 41.566 42.059 -0.023 0.000 0.893 700 L HN 0.073 nan 8.230 nan 0.000 0.432 701 K N 0.733 121.056 120.400 -0.128 0.000 2.057 701 K HA -0.218 4.102 4.320 0.001 0.000 0.206 701 K C 2.040 178.573 176.600 -0.113 0.000 1.050 701 K CA 1.872 58.063 56.287 -0.161 0.000 0.935 701 K CB 0.080 32.504 32.500 -0.127 0.000 0.715 701 K HN 0.549 nan 8.250 nan 0.000 0.439 702 E N -0.652 119.501 120.200 -0.077 0.000 2.299 702 E HA -0.007 4.344 4.350 0.001 0.000 0.193 702 E C 1.367 177.932 176.600 -0.059 0.000 0.998 702 E CA 0.675 57.040 56.400 -0.058 0.000 0.851 702 E CB 0.034 29.709 29.700 -0.040 0.000 0.795 702 E HN 0.238 nan 8.360 nan 0.000 0.492 703 A N 0.875 123.649 122.820 -0.076 0.000 2.235 703 A HA 0.114 4.435 4.320 0.001 0.000 0.208 703 A C 1.874 179.429 177.584 -0.049 0.000 1.172 703 A CA 0.265 52.257 52.037 -0.076 0.000 0.786 703 A CB -0.275 18.650 19.000 -0.124 0.000 0.804 703 A HN 0.338 nan 8.150 nan 0.000 0.479 704 L N -0.939 120.254 121.223 -0.049 0.000 2.416 704 L HA 0.144 4.485 4.340 0.001 0.000 0.216 704 L C 1.140 178.006 176.870 -0.008 0.000 1.098 704 L CA 1.661 56.486 54.840 -0.025 0.000 0.840 704 L CB -0.148 41.863 42.059 -0.079 0.000 0.981 704 L HN 0.295 nan 8.230 nan 0.000 0.462 705 D N -0.541 119.849 120.400 -0.017 0.000 2.178 705 D HA -0.160 4.480 4.640 0.001 0.000 0.202 705 D C 1.471 177.784 176.300 0.022 0.000 0.974 705 D CA 1.110 55.110 54.000 0.000 0.000 0.841 705 D CB -0.130 40.666 40.800 -0.008 0.000 0.953 705 D HN 0.287 nan 8.370 nan 0.000 0.478 706 D N 0.242 120.650 120.400 0.014 0.000 2.178 706 D HA -0.057 4.584 4.640 0.001 0.000 0.202 706 D C 0.269 176.599 176.300 0.049 0.000 0.974 706 D CA 0.329 54.343 54.000 0.024 0.000 0.841 706 D CB -0.016 40.788 40.800 0.007 0.000 0.953 706 D HN 0.054 nan 8.370 nan 0.000 0.478 707 V N 2.286 122.238 119.914 0.063 0.000 2.420 707 V HA 0.065 4.186 4.120 0.001 0.000 0.274 707 V C 0.858 177.096 176.094 0.241 0.000 1.003 707 V CA 0.224 62.595 62.300 0.120 0.000 1.092 707 V CB -0.180 31.719 31.823 0.126 0.000 1.002 707 V HN 0.183 nan 8.190 nan 0.000 0.473 708 T N 2.075 116.742 114.554 0.188 0.000 2.950 708 T HA 0.542 4.893 4.350 0.001 0.000 0.288 708 T C 0.763 175.435 174.700 -0.046 0.000 1.035 708 T CA -0.707 61.495 62.100 0.170 0.000 1.028 708 T CB 1.900 70.806 68.868 0.064 0.000 1.109 708 T HN 0.251 nan 8.240 nan 0.000 0.514 709 L N 1.918 122.944 121.223 -0.328 0.000 1.971 709 L HA 0.052 4.393 4.340 0.001 0.000 0.215 709 L C -0.700 175.955 176.870 -0.359 0.000 1.072 709 L CA 2.162 56.563 54.840 -0.731 0.000 0.758 709 L CB -1.457 40.232 42.059 -0.617 0.000 0.889 709 L HN 0.574 nan 8.230 nan 0.000 0.433 710 P HA -0.260 nan 4.420 nan 0.000 0.217 710 P C 1.380 178.633 177.300 -0.079 0.000 1.162 710 P CA 2.025 65.056 63.100 -0.116 0.000 0.901 710 P CB -0.337 31.320 31.700 -0.072 0.000 0.793 711 R N -0.893 119.578 120.500 -0.049 0.000 2.159 711 R HA -0.045 4.295 4.340 0.001 0.000 0.237 711 R C 2.607 178.911 176.300 0.006 0.000 1.131 711 R CA 0.756 56.851 56.100 -0.008 0.000 0.982 711 R CB -0.822 29.484 30.300 0.010 0.000 0.868 711 R HN 0.264 nan 8.270 nan 0.000 0.453 712 L N 0.976 122.186 121.223 -0.022 0.000 2.068 712 L HA -0.134 4.206 4.340 0.001 0.000 0.204 712 L C 2.006 178.894 176.870 0.029 0.000 1.076 712 L CA 1.488 56.353 54.840 0.042 0.000 0.753 712 L CB -0.180 41.898 42.059 0.033 0.000 0.910 712 L HN 0.151 nan 8.230 nan 0.000 0.439 713 K N -0.047 120.308 120.400 -0.075 0.000 2.044 713 K HA -0.232 4.089 4.320 0.001 0.000 0.210 713 K C 2.048 178.601 176.600 -0.079 0.000 1.049 713 K CA 1.693 57.919 56.287 -0.101 0.000 0.927 713 K CB -0.308 32.115 32.500 -0.128 0.000 0.713 713 K HN 0.368 nan 8.250 nan 0.000 0.443 714 A N 1.169 123.961 122.820 -0.046 0.000 1.940 714 A HA -0.198 4.122 4.320 0.001 0.000 0.219 714 A C 2.008 179.569 177.584 -0.039 0.000 1.176 714 A CA 1.394 53.410 52.037 -0.037 0.000 0.631 714 A CB -0.715 18.281 19.000 -0.006 0.000 0.814 714 A HN 0.413 nan 8.150 nan 0.000 0.446 715 F N 0.733 120.597 119.950 -0.144 0.000 2.134 715 F HA -0.135 4.392 4.527 0.001 0.000 0.299 715 F C 1.825 177.503 175.800 -0.204 0.000 1.097 715 F CA 1.595 59.494 58.000 -0.168 0.000 1.264 715 F CB -0.271 38.621 39.000 -0.181 0.000 1.001 715 F HN 0.195 nan 8.300 nan 0.000 0.479 716 I N 0.833 121.119 120.570 -0.474 0.000 2.163 716 I HA -0.183 3.987 4.170 0.001 0.000 0.240 716 I C -0.592 175.218 176.117 -0.511 0.000 1.081 716 I CA 1.212 62.088 61.300 -0.706 0.000 1.353 716 I CB -1.903 35.714 38.000 -0.637 0.000 1.054 716 I HN 0.072 nan 8.210 nan 0.000 0.407 717 P HA -0.146 nan 4.420 nan 0.000 0.221 717 P C 1.530 178.681 177.300 -0.248 0.000 1.150 717 P CA 1.085 64.056 63.100 -0.214 0.000 0.800 717 P CB -0.088 31.537 31.700 -0.126 0.000 0.787 718 Q N -0.440 119.159 119.800 -0.335 0.000 2.050 718 Q HA -0.160 4.180 4.340 0.001 0.000 0.202 718 Q C 2.018 177.704 176.000 -0.523 0.000 0.980 718 Q CA 1.325 56.879 55.803 -0.414 0.000 0.840 718 Q CB -0.896 27.601 28.738 -0.402 0.000 0.898 718 Q HN 0.200 nan 8.270 nan 0.000 0.424 719 L N 0.359 121.200 121.223 -0.637 0.000 2.056 719 L HA -0.131 4.209 4.340 0.001 0.000 0.207 719 L C 2.137 178.892 176.870 -0.193 0.000 1.078 719 L CA 1.531 56.077 54.840 -0.489 0.000 0.749 719 L CB -0.464 41.093 42.059 -0.836 0.000 0.901 719 L HN 0.171 nan 8.230 nan 0.000 0.433 720 L N -0.703 120.393 121.223 -0.213 0.000 2.313 720 L HA -0.086 4.254 4.340 0.001 0.000 0.214 720 L C 2.682 179.543 176.870 -0.014 0.000 1.119 720 L CA 0.988 55.779 54.840 -0.082 0.000 0.809 720 L CB -0.647 41.354 42.059 -0.098 0.000 0.933 720 L HN 0.524 nan 8.230 nan 0.000 0.449 721 S N 0.101 115.771 115.700 -0.049 0.000 2.402 721 S HA -0.143 4.327 4.470 0.001 0.000 0.233 721 S C 1.069 175.711 174.600 0.070 0.000 1.030 721 S CA 0.815 59.018 58.200 0.004 0.000 1.003 721 S CB 0.014 63.189 63.200 -0.042 0.000 0.813 721 S HN 0.299 nan 8.310 nan 0.000 0.477 722 R N 0.378 120.943 120.500 0.108 0.000 2.515 722 R HA 0.649 4.990 4.340 0.001 0.000 0.291 722 R C -1.436 175.009 176.300 0.242 0.000 1.046 722 R CA -0.314 55.890 56.100 0.173 0.000 0.914 722 R CB 1.567 31.981 30.300 0.190 0.000 1.191 722 R HN 0.327 nan 8.270 nan 0.000 0.435 723 L N 1.224 122.605 121.223 0.263 0.000 2.415 723 L HA 0.493 4.833 4.340 0.001 0.000 0.256 723 L C -0.840 176.277 176.870 0.412 0.000 1.010 723 L CA -1.170 53.881 54.840 0.352 0.000 0.826 723 L CB 2.446 44.716 42.059 0.352 0.000 1.405 723 L HN 0.527 nan 8.230 nan 0.000 0.410 724 H N 1.077 120.382 119.070 0.391 0.000 2.572 724 H HA 0.684 5.240 4.556 0.001 0.000 0.359 724 H C -1.422 174.156 175.328 0.417 0.000 1.134 724 H CA -0.484 55.792 56.048 0.380 0.000 1.187 724 H CB 1.488 31.473 29.762 0.372 0.000 1.597 724 H HN 0.406 nan 8.280 nan 0.000 0.524 725 I N 3.652 124.139 120.570 -0.138 0.000 2.404 725 I HA 0.289 4.460 4.170 0.001 0.000 0.293 725 I C -0.140 175.760 176.117 -0.362 0.000 0.992 725 I CA -0.664 60.497 61.300 -0.231 0.000 1.149 725 I CB 1.822 39.755 38.000 -0.111 0.000 1.315 725 I HN 0.557 nan 8.210 nan 0.000 0.446 726 E N 4.475 124.584 120.200 -0.152 0.000 2.212 726 E HA 0.810 5.160 4.350 0.001 0.000 0.268 726 E C -1.366 175.320 176.600 0.143 0.000 0.902 726 E CA -0.703 55.746 56.400 0.081 0.000 0.779 726 E CB 2.092 31.973 29.700 0.301 0.000 1.172 726 E HN 0.746 nan 8.360 nan 0.000 0.409 727 A N 4.230 127.170 122.820 0.200 0.000 2.520 727 A HA 0.540 4.861 4.320 0.001 0.000 0.298 727 A C -1.800 175.934 177.584 0.251 0.000 1.051 727 A CA -0.690 51.347 52.037 -0.001 0.000 0.690 727 A CB 1.280 20.055 19.000 -0.375 0.000 1.281 727 A HN 0.598 nan 8.150 nan 0.000 0.402 728 L N 2.891 124.221 121.223 0.178 0.000 2.333 728 L HA 0.656 4.997 4.340 0.001 0.000 0.280 728 L C -1.614 175.272 176.870 0.026 0.000 1.004 728 L CA -0.769 54.211 54.840 0.235 0.000 0.820 728 L CB 1.291 43.569 42.059 0.365 0.000 1.247 728 L HN 0.733 nan 8.230 nan 0.000 0.416 729 L N 4.866 126.161 121.223 0.120 0.000 2.345 729 L HA 0.410 4.751 4.340 0.001 0.000 0.274 729 L C -1.038 175.962 176.870 0.217 0.000 0.999 729 L CA -0.688 54.230 54.840 0.130 0.000 0.849 729 L CB 1.346 43.504 42.059 0.165 0.000 1.220 729 L HN 0.513 nan 8.230 nan 0.000 0.422 730 H N 2.430 121.524 119.070 0.040 0.000 2.529 730 H HA 0.867 5.423 4.556 0.001 0.000 0.348 730 H C -0.115 175.216 175.328 0.006 0.000 1.079 730 H CA 0.034 56.084 56.048 0.003 0.000 1.198 730 H CB 1.919 31.720 29.762 0.066 0.000 1.521 730 H HN 0.739 nan 8.280 nan 0.000 0.514 731 G N 3.395 112.172 108.800 -0.039 0.000 2.291 731 G HA2 -0.138 3.822 3.960 0.001 0.000 0.249 731 G HA3 -0.138 3.822 3.960 0.001 0.000 0.249 731 G C -0.899 173.996 174.900 -0.008 0.000 1.340 731 G CA -0.596 44.416 45.100 -0.147 0.000 1.017 731 G HN 0.673 nan 8.290 nan 0.000 0.470 732 N N 0.835 119.537 118.700 0.003 0.000 3.254 732 N HA 0.438 5.179 4.740 0.001 0.000 0.308 732 N C -0.164 175.404 175.510 0.097 0.000 1.281 732 N CA 0.121 53.205 53.050 0.057 0.000 1.212 732 N CB -0.989 37.524 38.487 0.043 0.000 1.478 732 N HN 0.736 nan 8.380 nan 0.000 0.548 733 I N -2.807 117.862 120.570 0.165 0.000 3.279 733 I HA 0.598 4.768 4.170 0.001 0.000 0.315 733 I C 0.040 176.356 176.117 0.331 0.000 1.187 733 I CA -1.124 60.297 61.300 0.202 0.000 0.953 733 I CB 1.339 39.447 38.000 0.180 0.000 1.279 733 I HN 0.022 nan 8.210 nan 0.000 0.465 734 T N -2.475 112.196 114.554 0.194 0.000 2.932 734 T HA 0.447 4.797 4.350 0.001 0.000 0.289 734 T C 0.641 175.149 174.700 -0.319 0.000 1.039 734 T CA -0.798 61.370 62.100 0.114 0.000 1.024 734 T CB 1.998 70.896 68.868 0.049 0.000 1.090 734 T HN 0.870 nan 8.240 nan 0.000 0.496 735 K N -0.027 120.029 120.400 -0.573 0.000 2.059 735 K HA -0.254 4.067 4.320 0.001 0.000 0.212 735 K C 1.981 178.302 176.600 -0.465 0.000 1.050 735 K CA 1.760 57.506 56.287 -0.901 0.000 0.927 735 K CB -0.141 32.094 32.500 -0.442 0.000 0.714 735 K HN 0.491 nan 8.250 nan 0.000 0.447 736 Q N -0.318 119.340 119.800 -0.237 0.000 2.119 736 Q HA -0.051 4.290 4.340 0.001 0.000 0.201 736 Q C 1.948 177.880 176.000 -0.114 0.000 0.972 736 Q CA 1.577 57.296 55.803 -0.140 0.000 0.847 736 Q CB -0.375 28.318 28.738 -0.076 0.000 0.903 736 Q HN 0.439 nan 8.270 nan 0.000 0.433 737 A N 0.422 123.180 122.820 -0.103 0.000 1.930 737 A HA -0.010 4.311 4.320 0.001 0.000 0.217 737 A C 2.231 179.787 177.584 -0.048 0.000 1.175 737 A CA 1.685 53.696 52.037 -0.044 0.000 0.627 737 A CB -0.577 18.423 19.000 -0.000 0.000 0.815 737 A HN 0.339 nan 8.150 nan 0.000 0.443 738 A N -0.124 122.616 122.820 -0.133 0.000 1.855 738 A HA -0.003 4.317 4.320 0.001 0.000 0.215 738 A C 2.146 179.690 177.584 -0.067 0.000 1.191 738 A CA 1.413 53.392 52.037 -0.097 0.000 0.613 738 A CB -0.720 18.117 19.000 -0.271 0.000 0.829 738 A HN 0.431 nan 8.150 nan 0.000 0.442 739 L N -0.350 120.795 121.223 -0.131 0.000 2.013 739 L HA -0.215 4.126 4.340 0.001 0.000 0.212 739 L C 2.848 179.705 176.870 -0.022 0.000 1.073 739 L CA 1.432 56.228 54.840 -0.074 0.000 0.753 739 L CB -0.821 41.181 42.059 -0.095 0.000 0.890 739 L HN 0.509 nan 8.230 nan 0.000 0.432 740 G N -0.058 108.727 108.800 -0.025 0.000 2.469 740 G HA2 -0.258 3.702 3.960 0.001 0.000 0.219 740 G HA3 -0.258 3.702 3.960 0.001 0.000 0.219 740 G C 1.554 176.473 174.900 0.032 0.000 1.150 740 G CA 1.029 46.130 45.100 0.002 0.000 0.763 740 G HN 0.326 nan 8.290 nan 0.000 0.561 741 I N -0.171 120.430 120.570 0.051 0.000 2.179 741 I HA -0.174 3.996 4.170 0.001 0.000 0.242 741 I C 2.746 178.944 176.117 0.135 0.000 1.088 741 I CA 1.469 62.828 61.300 0.098 0.000 1.357 741 I CB -0.304 37.778 38.000 0.136 0.000 1.051 741 I HN 0.212 nan 8.210 nan 0.000 0.409 742 M N 0.817 120.499 119.600 0.138 0.000 2.073 742 M HA -0.291 4.190 4.480 0.001 0.000 0.258 742 M C 2.281 178.649 176.300 0.112 0.000 1.070 742 M CA 2.004 57.401 55.300 0.160 0.000 1.103 742 M CB -0.471 32.195 32.600 0.111 0.000 1.321 742 M HN 0.040 nan 8.290 nan 0.000 0.405 743 Q N -0.146 119.695 119.800 0.069 0.000 2.077 743 Q HA -0.242 4.098 4.340 0.001 0.000 0.206 743 Q C 2.179 178.212 176.000 0.055 0.000 0.989 743 Q CA 2.618 58.453 55.803 0.053 0.000 0.853 743 Q CB -0.678 28.078 28.738 0.031 0.000 0.907 743 Q HN 0.673 nan 8.270 nan 0.000 0.418 744 M N -0.796 118.836 119.600 0.052 0.000 2.106 744 M HA -0.206 4.275 4.480 0.001 0.000 0.259 744 M C 1.683 178.009 176.300 0.044 0.000 1.068 744 M CA 1.758 57.084 55.300 0.043 0.000 1.100 744 M CB -0.131 32.492 32.600 0.038 0.000 1.351 744 M HN 0.190 nan 8.290 nan 0.000 0.404 745 V N 0.915 120.863 119.914 0.057 0.000 2.244 745 V HA -0.273 3.847 4.120 0.001 0.000 0.244 745 V C 2.104 178.244 176.094 0.076 0.000 1.042 745 V CA 2.260 64.586 62.300 0.043 0.000 1.006 745 V CB -1.072 30.773 31.823 0.038 0.000 0.641 745 V HN 0.510 nan 8.190 nan 0.000 0.446 746 E N 0.206 120.467 120.200 0.102 0.000 2.086 746 E HA -0.315 4.035 4.350 0.001 0.000 0.205 746 E C 1.988 178.633 176.600 0.075 0.000 1.027 746 E CA 1.829 58.291 56.400 0.102 0.000 0.830 746 E CB -0.347 29.411 29.700 0.096 0.000 0.751 746 E HN 0.601 nan 8.360 nan 0.000 0.456 747 D N -0.248 120.187 120.400 0.059 0.000 2.149 747 D HA -0.105 4.536 4.640 0.001 0.000 0.198 747 D C 1.986 178.315 176.300 0.049 0.000 0.990 747 D CA 1.440 55.467 54.000 0.044 0.000 0.839 747 D CB -0.339 40.483 40.800 0.035 0.000 0.948 747 D HN 0.198 nan 8.370 nan 0.000 0.460 748 T N 0.722 115.314 114.554 0.064 0.000 2.857 748 T HA 0.012 4.363 4.350 0.001 0.000 0.266 748 T C 2.299 177.064 174.700 0.109 0.000 1.048 748 T CA 0.318 62.485 62.100 0.111 0.000 1.139 748 T CB -0.084 68.817 68.868 0.056 0.000 0.874 748 T HN 0.110 nan 8.240 nan 0.000 0.455 749 L N 0.709 121.971 121.223 0.064 0.000 2.027 749 L HA -0.024 4.317 4.340 0.001 0.000 0.206 749 L C 2.534 179.417 176.870 0.023 0.000 1.074 749 L CA 0.905 55.775 54.840 0.050 0.000 0.745 749 L CB -0.561 41.544 42.059 0.077 0.000 0.898 749 L HN 0.214 nan 8.230 nan 0.000 0.433 750 I N -0.139 120.447 120.570 0.028 0.000 2.208 750 I HA -0.308 3.862 4.170 0.001 0.000 0.245 750 I C 2.496 178.564 176.117 -0.083 0.000 1.097 750 I CA 1.726 63.031 61.300 0.008 0.000 1.363 750 I CB -0.914 37.103 38.000 0.029 0.000 1.051 750 I HN 0.485 nan 8.210 nan 0.000 0.413 751 E N 0.216 120.349 120.200 -0.111 0.000 2.051 751 E HA -0.172 4.178 4.350 0.001 0.000 0.189 751 E C 2.180 178.505 176.600 -0.457 0.000 0.979 751 E CA 0.781 57.027 56.400 -0.257 0.000 0.803 751 E CB 0.093 29.643 29.700 -0.249 0.000 0.761 751 E HN 0.553 nan 8.360 nan 0.000 0.451 752 H N -1.359 117.576 119.070 -0.225 0.000 2.497 752 H HA 0.181 4.737 4.556 0.001 0.000 0.282 752 H C 1.223 176.382 175.328 -0.282 0.000 1.003 752 H CA 1.083 56.995 56.048 -0.225 0.000 1.307 752 H CB 0.805 30.495 29.762 -0.120 0.000 1.437 752 H HN 0.211 nan 8.280 nan 0.000 0.544 753 A N -0.232 122.498 122.820 -0.151 0.000 2.419 753 A HA 0.084 4.405 4.320 0.001 0.000 0.233 753 A C -0.085 177.477 177.584 -0.037 0.000 1.217 753 A CA -0.221 51.767 52.037 -0.082 0.000 0.944 753 A CB 0.129 19.117 19.000 -0.019 0.000 1.025 753 A HN 0.450 nan 8.150 nan 0.000 0.524 754 H N 0.433 119.510 119.070 0.012 0.000 2.791 754 H HA -0.127 4.429 4.556 0.001 0.000 0.302 754 H C -0.444 174.896 175.328 0.020 0.000 1.198 754 H CA 1.125 57.176 56.048 0.005 0.000 1.145 754 H CB -2.532 27.224 29.762 -0.009 0.000 1.385 754 H HN 0.381 nan 8.280 nan 0.000 0.409 755 T N 2.870 117.479 114.554 0.093 0.000 2.814 755 T HA 0.332 4.682 4.350 0.001 0.000 0.297 755 T C 1.025 175.790 174.700 0.108 0.000 0.956 755 T CA -0.386 61.774 62.100 0.099 0.000 1.123 755 T CB 1.544 70.471 68.868 0.098 0.000 0.902 755 T HN 0.275 nan 8.240 nan 0.000 0.528 756 K N 2.879 123.346 120.400 0.112 0.000 2.400 756 K HA 0.677 4.998 4.320 0.001 0.000 0.246 756 K C -3.401 173.274 176.600 0.126 0.000 0.995 756 K CA -2.836 53.515 56.287 0.107 0.000 0.840 756 K CB 0.263 32.814 32.500 0.086 0.000 1.293 756 K HN 0.148 nan 8.250 nan 0.000 0.445 757 P HA 0.233 nan 4.420 nan 0.000 0.274 757 P C -0.626 176.751 177.300 0.129 0.000 1.260 757 P CA -0.625 62.558 63.100 0.139 0.000 0.793 757 P CB 0.355 32.120 31.700 0.109 0.000 1.048 758 L N 0.532 121.833 121.223 0.130 0.000 2.331 758 L HA 0.300 4.641 4.340 0.001 0.000 0.275 758 L C -0.326 176.560 176.870 0.027 0.000 1.022 758 L CA -0.695 54.206 54.840 0.102 0.000 0.812 758 L CB 0.450 42.594 42.059 0.142 0.000 1.257 758 L HN 0.152 nan 8.230 nan 0.000 0.435 759 L N 4.708 125.942 121.223 0.019 0.000 2.461 759 L HA 0.142 4.482 4.340 0.001 0.000 0.272 759 L C -1.254 175.579 176.870 -0.063 0.000 1.197 759 L CA -1.228 53.602 54.840 -0.017 0.000 0.836 759 L CB -0.173 41.883 42.059 -0.007 0.000 1.105 759 L HN 0.471 nan 8.230 nan 0.000 0.477 760 P HA -0.155 nan 4.420 nan 0.000 0.215 760 P C 1.723 178.960 177.300 -0.105 0.000 1.157 760 P CA 1.649 64.676 63.100 -0.121 0.000 0.868 760 P CB 0.193 31.833 31.700 -0.099 0.000 0.788 761 S N 0.437 116.094 115.700 -0.071 0.000 2.400 761 S HA -0.255 4.215 4.470 0.001 0.000 0.232 761 S C 1.821 176.382 174.600 -0.066 0.000 1.025 761 S CA 1.351 59.513 58.200 -0.063 0.000 0.993 761 S CB -1.420 61.755 63.200 -0.042 0.000 0.808 761 S HN 0.423 nan 8.310 nan 0.000 0.478 762 Q N 0.459 120.226 119.800 -0.055 0.000 2.365 762 Q HA 0.310 4.650 4.340 0.001 0.000 0.203 762 Q C 0.419 176.378 176.000 -0.068 0.000 0.929 762 Q CA -0.057 55.721 55.803 -0.042 0.000 0.948 762 Q CB -0.429 28.308 28.738 -0.001 0.000 1.043 762 Q HN 0.525 nan 8.270 nan 0.000 0.505 763 L N 2.937 124.082 121.223 -0.129 0.000 2.583 763 L HA 0.218 4.559 4.340 0.001 0.000 0.239 763 L C -0.243 176.469 176.870 -0.264 0.000 1.347 763 L CA -0.800 53.904 54.840 -0.227 0.000 1.246 763 L CB 0.464 42.337 42.059 -0.311 0.000 1.496 763 L HN 0.158 nan 8.230 nan 0.000 0.413 764 V N -1.495 118.291 119.914 -0.213 0.000 2.432 764 V HA 0.445 4.565 4.120 0.001 0.000 0.271 764 V C 0.644 176.541 176.094 -0.329 0.000 1.046 764 V CA -0.924 61.236 62.300 -0.233 0.000 0.945 764 V CB 0.981 32.688 31.823 -0.193 0.000 0.992 764 V HN 0.390 nan 8.190 nan 0.000 0.471 765 R N 3.145 123.450 120.500 -0.325 0.000 2.707 765 R HA 0.374 4.714 4.340 0.001 0.000 0.270 765 R C -0.601 175.625 176.300 -0.122 0.000 1.083 765 R CA -0.111 55.838 56.100 -0.253 0.000 1.182 765 R CB 0.449 30.654 30.300 -0.158 0.000 1.084 765 R HN 0.832 nan 8.270 nan 0.000 0.528 766 Y N 0.339 120.795 120.300 0.261 0.000 2.354 766 Y HA 0.341 4.891 4.550 0.001 0.000 0.322 766 Y C 0.883 176.833 175.900 0.083 0.000 1.253 766 Y CA -0.209 57.980 58.100 0.147 0.000 1.272 766 Y CB 1.064 39.589 38.460 0.108 0.000 1.255 766 Y HN 0.219 nan 8.280 nan 0.000 0.500 767 R N 0.710 121.362 120.500 0.253 0.000 2.668 767 R HA 0.347 4.687 4.340 0.001 0.000 0.279 767 R C -1.058 175.337 176.300 0.159 0.000 0.976 767 R CA -1.103 55.100 56.100 0.171 0.000 0.978 767 R CB 1.449 31.830 30.300 0.135 0.000 1.133 767 R HN 0.596 nan 8.270 nan 0.000 0.484 768 E N 1.117 121.419 120.200 0.171 0.000 2.301 768 E HA 0.160 4.510 4.350 0.001 0.000 0.275 768 E C -0.590 176.177 176.600 0.277 0.000 1.030 768 E CA -0.615 55.895 56.400 0.182 0.000 0.852 768 E CB 1.139 30.912 29.700 0.121 0.000 1.060 768 E HN 0.225 nan 8.360 nan 0.000 0.401 769 V N 4.036 124.050 119.914 0.167 0.000 2.720 769 V HA -0.128 3.992 4.120 0.001 0.000 0.307 769 V C 0.329 176.531 176.094 0.180 0.000 1.071 769 V CA 0.709 63.051 62.300 0.071 0.000 1.199 769 V CB 0.819 32.628 31.823 -0.023 0.000 0.900 769 V HN 0.732 nan 8.190 nan 0.000 0.494 770 Q N 4.365 124.133 119.800 -0.054 0.000 2.430 770 Q HA 0.381 4.721 4.340 0.001 0.000 0.245 770 Q C -1.087 174.807 176.000 -0.178 0.000 1.021 770 Q CA -0.897 54.763 55.803 -0.238 0.000 0.867 770 Q CB 0.980 29.227 28.738 -0.819 0.000 1.210 770 Q HN 0.582 nan 8.270 nan 0.000 0.487 771 L N 6.477 127.670 121.223 -0.050 0.000 2.426 771 L HA 0.332 4.672 4.340 0.001 0.000 0.271 771 L C -1.957 174.904 176.870 -0.016 0.000 1.169 771 L CA -1.700 53.160 54.840 0.034 0.000 0.836 771 L CB 0.157 42.337 42.059 0.203 0.000 1.112 771 L HN 0.650 nan 8.230 nan 0.000 0.465 772 P HA 0.035 nan 4.420 nan 0.000 0.271 772 P C -0.861 176.637 177.300 0.330 0.000 1.216 772 P CA -0.560 62.647 63.100 0.178 0.000 0.776 772 P CB 0.469 32.303 31.700 0.224 0.000 0.881 773 D N 3.655 124.226 120.400 0.286 0.000 2.570 773 D HA -0.077 4.563 4.640 0.001 0.000 0.243 773 D C 1.115 177.496 176.300 0.136 0.000 1.171 773 D CA 0.808 54.961 54.000 0.254 0.000 0.879 773 D CB -0.096 40.787 40.800 0.138 0.000 1.143 773 D HN 0.400 nan 8.370 nan 0.000 0.511 774 R N 0.077 120.623 120.500 0.077 0.000 3.919 774 R HA -0.115 4.226 4.340 0.001 0.000 0.412 774 R C 0.721 177.068 176.300 0.078 0.000 1.102 774 R CA 0.760 56.881 56.100 0.036 0.000 1.082 774 R CB -2.051 28.254 30.300 0.009 0.000 1.671 774 R HN 0.488 nan 8.270 nan 0.000 0.540 775 G N 0.248 109.142 108.800 0.157 0.000 2.444 775 G HA2 0.292 4.253 3.960 0.001 0.000 0.268 775 G HA3 0.292 4.253 3.960 0.001 0.000 0.268 775 G C -1.110 173.869 174.900 0.132 0.000 1.203 775 G CA -0.075 45.082 45.100 0.096 0.000 0.835 775 G HN 0.239 nan 8.290 nan 0.000 0.543 776 W N 3.713 124.799 121.300 -0.357 0.000 2.631 776 W HA 0.654 5.315 4.660 0.001 0.000 0.321 776 W C -2.002 174.291 176.519 -0.377 0.000 1.004 776 W CA -2.434 54.786 57.345 -0.209 0.000 1.291 776 W CB 0.624 30.031 29.460 -0.088 0.000 1.300 776 W HN 0.312 nan 8.180 nan 0.000 0.422 777 F N 5.008 125.033 119.950 0.126 0.000 2.458 777 F HA 0.735 5.262 4.527 0.001 0.000 0.330 777 F C 0.017 175.665 175.800 -0.253 0.000 1.082 777 F CA -1.365 56.566 58.000 -0.114 0.000 0.995 777 F CB 1.503 40.514 39.000 0.019 0.000 1.170 777 F HN -0.145 nan 8.300 nan 0.000 0.478 778 V N 2.665 122.453 119.914 -0.210 0.000 2.577 778 V HA 0.322 4.442 4.120 0.001 0.000 0.303 778 V C -1.432 174.565 176.094 -0.163 0.000 1.042 778 V CA -0.988 61.145 62.300 -0.279 0.000 0.872 778 V CB 1.811 33.283 31.823 -0.584 0.000 0.998 778 V HN 0.657 nan 8.190 nan 0.000 0.423 779 Y N 4.579 124.728 120.300 -0.253 0.000 2.446 779 Y HA 0.763 5.313 4.550 0.001 0.000 0.338 779 Y C -0.193 175.586 175.900 -0.203 0.000 1.055 779 Y CA -0.613 57.343 58.100 -0.240 0.000 1.101 779 Y CB 2.014 40.317 38.460 -0.260 0.000 1.221 779 Y HN 0.770 nan 8.280 nan 0.000 0.460 780 Q N 3.996 123.332 119.800 -0.774 0.000 2.309 780 Q HA 0.588 4.928 4.340 0.001 0.000 0.273 780 Q C -1.972 173.684 176.000 -0.573 0.000 1.040 780 Q CA -0.976 54.526 55.803 -0.503 0.000 0.834 780 Q CB 2.729 31.328 28.738 -0.232 0.000 1.345 780 Q HN 0.632 nan 8.270 nan 0.000 0.414 781 Q N 1.160 120.767 119.800 -0.321 0.000 2.544 781 Q HA 0.516 4.856 4.340 0.001 0.000 0.291 781 Q C -1.412 174.596 176.000 0.014 0.000 1.068 781 Q CA -0.951 54.725 55.803 -0.210 0.000 0.785 781 Q CB 3.042 31.628 28.738 -0.253 0.000 1.481 781 Q HN 0.827 nan 8.270 nan 0.000 0.430 782 R N 0.766 121.302 120.500 0.059 0.000 2.460 782 R HA 0.394 4.735 4.340 0.001 0.000 0.303 782 R C -0.871 175.539 176.300 0.183 0.000 0.968 782 R CA -0.342 55.819 56.100 0.103 0.000 0.889 782 R CB 0.956 31.291 30.300 0.058 0.000 1.123 782 R HN 0.605 nan 8.270 nan 0.000 0.455 783 N N 1.831 120.634 118.700 0.172 0.000 2.458 783 N HA 0.001 4.742 4.740 0.001 0.000 0.270 783 N C -0.139 175.434 175.510 0.106 0.000 1.102 783 N CA -0.268 52.874 53.050 0.153 0.000 0.967 783 N CB 1.120 39.636 38.487 0.048 0.000 1.078 783 N HN 0.673 nan 8.380 nan 0.000 0.471 784 E N 1.985 122.251 120.200 0.109 0.000 2.489 784 E HA -0.001 4.349 4.350 0.001 0.000 0.193 784 E C 0.620 177.229 176.600 0.015 0.000 1.057 784 E CA 0.073 56.511 56.400 0.062 0.000 0.866 784 E CB 0.525 30.265 29.700 0.067 0.000 0.916 784 E HN 0.413 nan 8.360 nan 0.000 0.500 785 V N -0.226 119.682 119.914 -0.010 0.000 2.948 785 V HA 0.012 4.133 4.120 0.001 0.000 0.234 785 V C 0.535 176.495 176.094 -0.224 0.000 1.205 785 V CA 0.191 62.408 62.300 -0.139 0.000 1.234 785 V CB 0.199 31.891 31.823 -0.219 0.000 1.020 785 V HN 0.235 nan 8.190 nan 0.000 0.491 786 H N 1.748 120.787 119.070 -0.053 0.000 2.620 786 H HA 0.225 4.781 4.556 0.001 0.000 0.313 786 H C -0.313 175.000 175.328 -0.024 0.000 1.075 786 H CA -0.129 55.892 56.048 -0.045 0.000 1.397 786 H CB 0.658 30.379 29.762 -0.068 0.000 1.446 786 H HN 0.125 nan 8.280 nan 0.000 0.493 787 N N 3.416 122.155 118.700 0.065 0.000 3.243 787 N HA -0.020 4.720 4.740 0.001 0.000 0.310 787 N C -1.036 174.509 175.510 0.058 0.000 1.313 787 N CA -0.002 53.077 53.050 0.048 0.000 1.204 787 N CB -0.469 38.030 38.487 0.019 0.000 1.483 787 N HN 0.550 nan 8.380 nan 0.000 0.553 788 N N -1.247 117.498 118.700 0.076 0.000 2.405 788 N HA 0.293 5.034 4.740 0.001 0.000 0.274 788 N C -1.381 174.167 175.510 0.063 0.000 1.170 788 N CA -0.610 52.478 53.050 0.062 0.000 0.848 788 N CB 1.273 39.795 38.487 0.058 0.000 1.629 788 N HN 0.183 nan 8.380 nan 0.000 0.481 789 S N 0.350 116.088 115.700 0.063 0.000 2.713 789 S HA 0.907 5.377 4.470 0.001 0.000 0.283 789 S C 0.165 174.810 174.600 0.076 0.000 1.161 789 S CA -0.530 57.715 58.200 0.074 0.000 0.999 789 S CB 1.540 64.788 63.200 0.079 0.000 1.039 789 S HN 0.585 nan 8.310 nan 0.000 0.548 790 G N -0.334 108.526 108.800 0.101 0.000 2.660 790 G HA2 0.702 4.662 3.960 0.001 0.000 0.294 790 G HA3 0.702 4.662 3.960 0.001 0.000 0.294 790 G C -1.733 173.259 174.900 0.154 0.000 1.369 790 G CA -0.781 44.396 45.100 0.128 0.000 0.912 790 G HN 0.937 nan 8.290 nan 0.000 0.479 791 I N 0.415 121.085 120.570 0.166 0.000 2.685 791 I HA 0.409 4.579 4.170 0.001 0.000 0.289 791 I C -1.473 174.780 176.117 0.228 0.000 1.292 791 I CA -0.579 60.835 61.300 0.190 0.000 1.050 791 I CB 2.249 40.299 38.000 0.083 0.000 1.301 791 I HN 0.647 nan 8.210 nan 0.000 0.425 792 E N 7.488 127.848 120.200 0.267 0.000 2.179 792 E HA 0.606 4.956 4.350 0.001 0.000 0.275 792 E C -1.526 175.249 176.600 0.292 0.000 0.945 792 E CA -0.640 55.920 56.400 0.267 0.000 0.792 792 E CB 1.818 31.652 29.700 0.224 0.000 1.125 792 E HN 0.534 nan 8.360 nan 0.000 0.397 793 I N 4.220 124.976 120.570 0.310 0.000 2.404 793 I HA 0.245 4.415 4.170 0.001 0.000 0.293 793 I C -1.225 175.047 176.117 0.258 0.000 0.992 793 I CA -0.979 60.462 61.300 0.236 0.000 1.149 793 I CB 1.176 39.276 38.000 0.167 0.000 1.315 793 I HN 0.538 nan 8.210 nan 0.000 0.446 794 Y N 7.321 127.611 120.300 -0.017 0.000 2.326 794 Y HA 0.453 5.003 4.550 0.001 0.000 0.331 794 Y C -1.478 174.369 175.900 -0.089 0.000 0.962 794 Y CA -1.396 56.723 58.100 0.032 0.000 1.167 794 Y CB 0.814 39.342 38.460 0.114 0.000 1.148 794 Y HN 0.345 nan 8.280 nan 0.000 0.463 795 Y N 5.127 125.438 120.300 0.020 0.000 2.434 795 Y HA 0.297 4.847 4.550 0.001 0.000 0.341 795 Y C 0.359 176.021 175.900 -0.398 0.000 0.965 795 Y CA -0.533 57.491 58.100 -0.128 0.000 1.205 795 Y CB 0.915 39.378 38.460 0.006 0.000 1.121 795 Y HN 0.529 nan 8.280 nan 0.000 0.507 796 Q N 1.986 121.529 119.800 -0.429 0.000 2.288 796 Q HA 0.170 4.510 4.340 0.001 0.000 0.254 796 Q C 0.592 176.635 176.000 0.072 0.000 0.932 796 Q CA 0.153 55.710 55.803 -0.410 0.000 0.902 796 Q CB 1.302 29.835 28.738 -0.343 0.000 1.203 796 Q HN 0.893 nan 8.270 nan 0.000 0.415 797 T N 0.525 115.137 114.554 0.096 0.000 3.053 797 T HA 0.229 4.579 4.350 0.001 0.000 0.236 797 T C 0.128 174.948 174.700 0.200 0.000 0.996 797 T CA 0.620 62.819 62.100 0.164 0.000 1.185 797 T CB 0.335 69.320 68.868 0.196 0.000 0.892 797 T HN 0.652 nan 8.240 nan 0.000 0.432 798 D N -1.389 119.086 120.400 0.124 0.000 2.827 798 D HA 0.282 4.923 4.640 0.001 0.000 0.336 798 D C -1.271 174.987 176.300 -0.069 0.000 1.374 798 D CA -0.701 53.350 54.000 0.086 0.000 0.794 798 D CB 0.731 41.637 40.800 0.176 0.000 1.364 798 D HN 0.239 nan 8.370 nan 0.000 0.464 799 M N 0.959 120.512 119.600 -0.079 0.000 2.252 799 M HA 0.075 4.556 4.480 0.001 0.000 0.329 799 M C 0.326 176.605 176.300 -0.034 0.000 1.101 799 M CA 0.515 55.749 55.300 -0.110 0.000 1.117 799 M CB 0.158 32.750 32.600 -0.013 0.000 1.563 799 M HN 0.204 nan 8.290 nan 0.000 0.445 800 Q N 1.310 121.081 119.800 -0.048 0.000 2.361 800 Q HA 0.190 4.530 4.340 0.001 0.000 0.276 800 Q C -0.373 175.611 176.000 -0.026 0.000 1.022 800 Q CA 0.245 56.031 55.803 -0.027 0.000 0.898 800 Q CB 0.610 29.323 28.738 -0.043 0.000 1.246 800 Q HN 0.767 nan 8.270 nan 0.000 0.410 801 S N -0.352 115.329 115.700 -0.032 0.000 2.587 801 S HA 0.260 4.730 4.470 0.001 0.000 0.269 801 S C 0.438 174.969 174.600 -0.116 0.000 1.154 801 S CA -0.676 57.490 58.200 -0.056 0.000 0.824 801 S CB 1.185 64.364 63.200 -0.034 0.000 1.118 801 S HN 0.514 nan 8.310 nan 0.000 0.462 802 T N 2.259 116.709 114.554 -0.175 0.000 2.624 802 T HA -0.200 4.151 4.350 0.001 0.000 0.268 802 T C 2.213 176.615 174.700 -0.497 0.000 1.041 802 T CA 2.750 64.665 62.100 -0.307 0.000 1.159 802 T CB -0.878 67.776 68.868 -0.356 0.000 0.863 802 T HN 0.971 nan 8.240 nan 0.000 0.434 803 S N 1.000 116.369 115.700 -0.552 0.000 2.355 803 S HA -0.106 4.364 4.470 0.001 0.000 0.222 803 S C 2.016 176.526 174.600 -0.151 0.000 1.031 803 S CA 1.505 59.369 58.200 -0.561 0.000 0.993 803 S CB -0.383 62.685 63.200 -0.219 0.000 0.859 803 S HN 0.396 nan 8.310 nan 0.000 0.453 804 E N 1.797 122.030 120.200 0.055 0.000 2.077 804 E HA -0.053 4.297 4.350 0.001 0.000 0.193 804 E C 1.904 178.555 176.600 0.084 0.000 0.989 804 E CA 1.556 58.076 56.400 0.199 0.000 0.800 804 E CB -0.643 29.158 29.700 0.169 0.000 0.746 804 E HN 0.772 nan 8.360 nan 0.000 0.452 805 N N -0.819 117.874 118.700 -0.012 0.000 2.021 805 N HA -0.211 4.530 4.740 0.001 0.000 0.198 805 N C 1.506 176.991 175.510 -0.042 0.000 1.041 805 N CA 1.709 54.744 53.050 -0.025 0.000 0.862 805 N CB -0.130 38.319 38.487 -0.063 0.000 1.048 805 N HN 0.149 nan 8.380 nan 0.000 0.427 806 M N -0.228 119.304 119.600 -0.112 0.000 2.254 806 M HA -0.011 4.470 4.480 0.001 0.000 0.265 806 M C 1.502 177.711 176.300 -0.152 0.000 1.066 806 M CA 1.068 56.300 55.300 -0.112 0.000 1.123 806 M CB -1.142 31.422 32.600 -0.060 0.000 1.388 806 M HN 0.095 nan 8.290 nan 0.000 0.425 807 F N 0.652 120.494 119.950 -0.180 0.000 2.046 807 F HA -0.245 4.282 4.527 0.001 0.000 0.297 807 F C 2.356 177.819 175.800 -0.562 0.000 1.123 807 F CA 1.398 59.072 58.000 -0.543 0.000 1.199 807 F CB -1.448 36.922 39.000 -1.050 0.000 0.972 807 F HN 0.083 nan 8.300 nan 0.000 0.474 808 L N 0.479 121.608 121.223 -0.158 0.000 1.971 808 L HA -0.236 4.105 4.340 0.001 0.000 0.215 808 L C 2.188 179.131 176.870 0.122 0.000 1.072 808 L CA 1.970 56.862 54.840 0.087 0.000 0.758 808 L CB -0.969 41.196 42.059 0.177 0.000 0.889 808 L HN 0.211 nan 8.230 nan 0.000 0.433 809 E N -0.577 119.654 120.200 0.052 0.000 2.118 809 E HA -0.258 4.093 4.350 0.001 0.000 0.195 809 E C 2.317 178.926 176.600 0.014 0.000 0.992 809 E CA 1.432 57.850 56.400 0.031 0.000 0.804 809 E CB -0.282 29.417 29.700 -0.001 0.000 0.741 809 E HN 0.554 nan 8.360 nan 0.000 0.458 810 L N 0.003 121.232 121.223 0.010 0.000 2.044 810 L HA -0.137 4.204 4.340 0.001 0.000 0.205 810 L C 2.368 179.250 176.870 0.020 0.000 1.075 810 L CA 0.995 55.821 54.840 -0.022 0.000 0.747 810 L CB -0.228 41.815 42.059 -0.027 0.000 0.903 810 L HN 0.140 nan 8.230 nan 0.000 0.435 811 F N 0.718 120.662 119.950 -0.011 0.000 2.120 811 F HA -0.297 4.230 4.527 0.001 0.000 0.300 811 F C 2.422 178.220 175.800 -0.005 0.000 1.095 811 F CA 1.693 59.720 58.000 0.045 0.000 1.249 811 F CB -0.217 38.907 39.000 0.207 0.000 0.995 811 F HN 0.112 nan 8.300 nan 0.000 0.480 812 A N -0.380 122.534 122.820 0.157 0.000 1.940 812 A HA -0.278 4.043 4.320 0.001 0.000 0.219 812 A C 2.025 179.528 177.584 -0.135 0.000 1.176 812 A CA 1.862 53.910 52.037 0.019 0.000 0.631 812 A CB -0.909 18.116 19.000 0.041 0.000 0.814 812 A HN 0.573 nan 8.150 nan 0.000 0.446 813 Q N 0.112 119.822 119.800 -0.150 0.000 2.083 813 Q HA -0.026 4.315 4.340 0.001 0.000 0.198 813 Q C 1.699 177.477 176.000 -0.369 0.000 0.969 813 Q CA 1.840 57.519 55.803 -0.206 0.000 0.838 813 Q CB -0.500 28.139 28.738 -0.166 0.000 0.900 813 Q HN 0.623 nan 8.270 nan 0.000 0.436 814 I N 0.725 120.994 120.570 -0.501 0.000 2.226 814 I HA -0.216 3.954 4.170 0.001 0.000 0.245 814 I C 2.163 177.995 176.117 -0.475 0.000 1.100 814 I CA 1.434 62.289 61.300 -0.742 0.000 1.374 814 I CB -0.315 37.336 38.000 -0.582 0.000 1.057 814 I HN 0.444 nan 8.210 nan 0.000 0.413 815 I N -2.957 117.368 120.570 -0.408 0.000 3.578 815 I HA -0.017 4.153 4.170 0.001 0.000 0.295 815 I C 2.299 178.393 176.117 -0.037 0.000 1.280 815 I CA 0.575 61.762 61.300 -0.187 0.000 1.347 815 I CB -0.050 37.826 38.000 -0.208 0.000 1.051 815 I HN 0.011 nan 8.210 nan 0.000 0.460 816 S N 2.461 118.077 115.700 -0.140 0.000 2.354 816 S HA -0.275 4.195 4.470 0.001 0.000 0.219 816 S C 2.027 176.592 174.600 -0.059 0.000 1.035 816 S CA 2.351 60.472 58.200 -0.130 0.000 1.037 816 S CB -0.286 62.814 63.200 -0.167 0.000 0.956 816 S HN 0.839 nan 8.310 nan 0.000 0.428 817 E N 1.175 121.352 120.200 -0.037 0.000 2.112 817 E HA 0.062 4.412 4.350 0.001 0.000 0.190 817 E C -0.700 175.966 176.600 0.110 0.000 0.979 817 E CA 0.964 57.377 56.400 0.021 0.000 0.814 817 E CB -1.698 27.995 29.700 -0.012 0.000 0.762 817 E HN 0.378 nan 8.360 nan 0.000 0.460 818 P HA -0.219 nan 4.420 nan 0.000 0.216 818 P C 1.341 178.754 177.300 0.188 0.000 1.157 818 P CA 2.598 65.828 63.100 0.216 0.000 0.880 818 P CB -0.261 31.595 31.700 0.261 0.000 0.791 819 A N -1.068 121.774 122.820 0.036 0.000 1.851 819 A HA -0.245 4.075 4.320 0.001 0.000 0.216 819 A C 2.194 179.627 177.584 -0.251 0.000 1.195 819 A CA 1.853 53.592 52.037 -0.497 0.000 0.622 819 A CB -1.887 16.977 19.000 -0.227 0.000 0.831 819 A HN 0.166 nan 8.150 nan 0.000 0.444 820 F N 1.151 120.993 119.950 -0.179 0.000 2.091 820 F HA -0.248 4.280 4.527 0.001 0.000 0.299 820 F C 2.263 178.015 175.800 -0.080 0.000 1.103 820 F CA 2.230 60.159 58.000 -0.119 0.000 1.228 820 F CB -0.294 38.650 39.000 -0.094 0.000 0.984 820 F HN 0.376 nan 8.300 nan 0.000 0.477 821 N N -0.728 118.080 118.700 0.181 0.000 2.058 821 N HA -0.185 4.556 4.740 0.001 0.000 0.191 821 N C 1.637 177.148 175.510 0.002 0.000 1.037 821 N CA 2.160 55.283 53.050 0.122 0.000 0.848 821 N CB -0.194 38.391 38.487 0.163 0.000 1.021 821 N HN 0.318 nan 8.380 nan 0.000 0.422 822 T N 1.496 116.048 114.554 -0.002 0.000 2.737 822 T HA -0.060 4.290 4.350 0.001 0.000 0.265 822 T C 1.838 176.482 174.700 -0.093 0.000 1.038 822 T CA 0.579 62.679 62.100 0.001 0.000 1.144 822 T CB -0.071 68.872 68.868 0.125 0.000 0.866 822 T HN 0.076 nan 8.240 nan 0.000 0.434 823 L N 0.243 121.343 121.223 -0.206 0.000 2.209 823 L HA 0.273 4.614 4.340 0.001 0.000 0.207 823 L C 2.334 179.073 176.870 -0.218 0.000 1.094 823 L CA 1.357 56.069 54.840 -0.214 0.000 0.790 823 L CB -0.827 41.071 42.059 -0.269 0.000 0.932 823 L HN 0.155 nan 8.230 nan 0.000 0.447 824 R N -1.177 119.121 120.500 -0.337 0.000 2.015 824 R HA -0.031 4.310 4.340 0.001 0.000 0.212 824 R C 2.132 178.285 176.300 -0.246 0.000 1.304 824 R CA 1.288 57.154 56.100 -0.391 0.000 1.040 824 R CB -0.249 29.571 30.300 -0.800 0.000 0.915 824 R HN 0.244 nan 8.270 nan 0.000 0.465 825 T N 1.462 115.869 114.554 -0.244 0.000 2.607 825 T HA -0.166 4.185 4.350 0.001 0.000 0.267 825 T C 1.794 176.482 174.700 -0.019 0.000 1.049 825 T CA 1.642 63.707 62.100 -0.059 0.000 1.162 825 T CB -0.247 68.645 68.868 0.041 0.000 0.863 825 T HN 0.223 nan 8.240 nan 0.000 0.424 826 K N 0.844 121.233 120.400 -0.018 0.000 1.967 826 K HA -0.005 4.315 4.320 0.001 0.000 0.212 826 K C 2.666 179.263 176.600 -0.005 0.000 1.044 826 K CA 1.343 57.632 56.287 0.004 0.000 0.942 826 K CB -0.068 32.444 32.500 0.020 0.000 0.726 826 K HN 0.378 nan 8.250 nan 0.000 0.440 827 E N 0.650 120.836 120.200 -0.023 0.000 2.274 827 E HA -0.096 4.255 4.350 0.001 0.000 0.194 827 E C -0.310 176.284 176.600 -0.011 0.000 0.996 827 E CA 0.243 56.636 56.400 -0.012 0.000 0.840 827 E CB 0.285 29.969 29.700 -0.027 0.000 0.772 827 E HN 0.208 nan 8.360 nan 0.000 0.491 828 Q N -0.402 119.374 119.800 -0.039 0.000 2.452 828 Q HA -0.217 4.123 4.340 0.001 0.000 0.318 828 Q C 0.909 176.901 176.000 -0.014 0.000 1.386 828 Q CA 0.467 56.252 55.803 -0.031 0.000 0.872 828 Q CB -1.986 26.750 28.738 -0.004 0.000 1.151 828 Q HN 0.425 nan 8.270 nan 0.000 0.417 829 L N -1.702 119.501 121.223 -0.034 0.000 2.109 829 L HA 0.043 4.383 4.340 0.001 0.000 0.207 829 L C 1.348 178.219 176.870 0.002 0.000 1.086 829 L CA 1.434 56.272 54.840 -0.004 0.000 0.760 829 L CB 0.079 42.115 42.059 -0.038 0.000 0.910 829 L HN 0.484 nan 8.230 nan 0.000 0.437 830 G N -3.566 105.221 108.800 -0.022 0.000 2.506 830 G HA2 0.115 4.076 3.960 0.001 0.000 0.292 830 G HA3 0.115 4.076 3.960 0.001 0.000 0.292 830 G C -0.869 174.044 174.900 0.022 0.000 1.425 830 G CA -0.423 44.687 45.100 0.015 0.000 0.788 830 G HN -0.193 nan 8.290 nan 0.000 0.490 831 Y N 0.414 120.685 120.300 -0.048 0.000 2.181 831 Y HA 0.231 4.781 4.550 0.001 0.000 0.288 831 Y C 1.369 177.253 175.900 -0.027 0.000 1.146 831 Y CA 1.110 59.194 58.100 -0.026 0.000 1.164 831 Y CB -0.011 38.448 38.460 -0.002 0.000 0.982 831 Y HN 0.273 nan 8.280 nan 0.000 0.515 832 I N 2.000 122.462 120.570 -0.179 0.000 2.301 832 I HA 0.260 4.431 4.170 0.001 0.000 0.292 832 I C -1.057 174.984 176.117 -0.127 0.000 1.046 832 I CA -0.409 60.737 61.300 -0.257 0.000 1.282 832 I CB 0.711 38.525 38.000 -0.310 0.000 1.409 832 I HN -0.246 nan 8.210 nan 0.000 0.484 833 V N 7.837 127.703 119.914 -0.080 0.000 2.612 833 V HA 0.449 4.569 4.120 0.001 0.000 0.301 833 V C -1.086 175.114 176.094 0.177 0.000 1.059 833 V CA -0.626 61.676 62.300 0.004 0.000 0.886 833 V CB 2.377 34.103 31.823 -0.162 0.000 1.007 833 V HN 0.533 nan 8.190 nan 0.000 0.426 834 F N 4.730 124.710 119.950 0.051 0.000 2.591 834 F HA 0.816 5.343 4.527 0.001 0.000 0.309 834 F C -0.006 175.814 175.800 0.032 0.000 1.098 834 F CA 0.075 58.109 58.000 0.057 0.000 0.937 834 F CB 2.251 41.273 39.000 0.037 0.000 1.250 834 F HN 0.569 nan 8.300 nan 0.000 0.447 835 S N 3.734 119.063 115.700 -0.619 0.000 2.900 835 S HA 1.036 5.506 4.470 0.001 0.000 0.320 835 S C -0.230 173.886 174.600 -0.806 0.000 1.130 835 S CA -0.350 57.463 58.200 -0.645 0.000 0.863 835 S CB 1.220 64.016 63.200 -0.674 0.000 1.295 835 S HN 2.196 nan 8.310 nan 0.000 0.596 836 G N -0.026 108.507 108.800 -0.446 0.000 2.541 836 G HA2 0.165 4.126 3.960 0.001 0.000 0.686 836 G HA3 0.165 4.126 3.960 0.001 0.000 0.686 836 G C -3.573 171.338 174.900 0.019 0.000 1.286 836 G CA -0.656 44.314 45.100 -0.218 0.000 0.894 836 G HN 0.752 nan 8.290 nan 0.000 0.575 837 P HA 0.372 nan 4.420 nan 0.000 0.268 837 P C -0.162 177.244 177.300 0.178 0.000 1.205 837 P CA -0.056 63.135 63.100 0.150 0.000 0.771 837 P CB 0.629 32.397 31.700 0.114 0.000 0.858 838 R N 2.670 123.291 120.500 0.201 0.000 2.445 838 R HA 0.527 4.867 4.340 0.001 0.000 0.308 838 R C -0.618 175.742 176.300 0.100 0.000 0.961 838 R CA -0.779 55.393 56.100 0.120 0.000 0.862 838 R CB 0.860 31.174 30.300 0.023 0.000 1.144 838 R HN 0.355 nan 8.270 nan 0.000 0.447 839 R N 1.548 122.069 120.500 0.035 0.000 2.561 839 R HA 0.681 5.021 4.340 0.001 0.000 0.297 839 R C -1.660 174.627 176.300 -0.021 0.000 0.969 839 R CA -0.396 55.713 56.100 0.016 0.000 0.879 839 R CB 2.302 32.609 30.300 0.011 0.000 1.178 839 R HN 0.735 nan 8.270 nan 0.000 0.445 840 A N 2.223 125.027 122.820 -0.027 0.000 2.582 840 A HA 0.356 4.677 4.320 0.001 0.000 0.297 840 A C -0.916 176.653 177.584 -0.025 0.000 1.059 840 A CA -0.901 51.114 52.037 -0.035 0.000 0.705 840 A CB 0.923 19.886 19.000 -0.063 0.000 1.279 840 A HN 0.784 nan 8.150 nan 0.000 0.404 841 N N 0.632 119.333 118.700 0.001 0.000 2.666 841 N HA -0.287 4.454 4.740 0.001 0.000 0.248 841 N C 1.163 176.664 175.510 -0.014 0.000 1.118 841 N CA 2.792 55.859 53.050 0.028 0.000 0.722 841 N CB -1.099 37.425 38.487 0.061 0.000 1.050 841 N HN 2.421 nan 8.380 nan 0.000 0.550 842 G N -1.924 106.849 108.800 -0.044 0.000 2.199 842 G HA2 -0.303 3.657 3.960 0.001 0.000 0.254 842 G HA3 -0.303 3.657 3.960 0.001 0.000 0.254 842 G C 0.154 174.986 174.900 -0.113 0.000 0.982 842 G CA 0.474 45.532 45.100 -0.069 0.000 0.632 842 G HN 0.374 nan 8.290 nan 0.000 0.529 843 I N 0.924 121.402 120.570 -0.154 0.000 3.062 843 I HA 0.682 4.853 4.170 0.001 0.000 0.318 843 I C 0.674 176.751 176.117 -0.066 0.000 1.026 843 I CA -0.622 60.530 61.300 -0.246 0.000 1.096 843 I CB 1.023 38.739 38.000 -0.472 0.000 1.348 843 I HN 0.670 nan 8.210 nan 0.000 0.543 844 Q N 0.601 120.400 119.800 -0.001 0.000 2.737 844 Q HA 0.776 5.117 4.340 0.001 0.000 0.307 844 Q C -0.929 175.221 176.000 0.249 0.000 0.905 844 Q CA -1.014 54.876 55.803 0.146 0.000 0.753 844 Q CB 2.490 31.289 28.738 0.103 0.000 1.463 844 Q HN 0.872 nan 8.270 nan 0.000 0.455 845 G N -0.182 108.822 108.800 0.339 0.000 2.317 845 G HA2 0.278 4.238 3.960 0.001 0.000 0.293 845 G HA3 0.278 4.238 3.960 0.001 0.000 0.293 845 G C -2.109 173.024 174.900 0.389 0.000 1.287 845 G CA -0.939 44.349 45.100 0.313 0.000 0.850 845 G HN 0.497 nan 8.290 nan 0.000 0.515 846 L N 1.584 123.027 121.223 0.368 0.000 2.275 846 L HA 0.619 4.960 4.340 0.001 0.000 0.288 846 L C 0.545 177.695 176.870 0.468 0.000 1.046 846 L CA -0.871 54.193 54.840 0.372 0.000 0.805 846 L CB 1.028 43.314 42.059 0.378 0.000 1.193 846 L HN 0.807 nan 8.230 nan 0.000 0.426 847 R N 3.945 124.636 120.500 0.318 0.000 2.732 847 R HA 0.550 4.890 4.340 0.001 0.000 0.278 847 R C -2.072 174.309 176.300 0.134 0.000 0.976 847 R CA -0.473 55.831 56.100 0.341 0.000 0.963 847 R CB 1.784 32.272 30.300 0.313 0.000 1.150 847 R HN 0.323 nan 8.270 nan 0.000 0.478 848 F N 1.619 121.770 119.950 0.334 0.000 2.547 848 F HA 0.546 5.073 4.527 0.001 0.000 0.316 848 F C -0.120 175.837 175.800 0.263 0.000 1.121 848 F CA -0.813 57.359 58.000 0.287 0.000 0.911 848 F CB 2.198 41.340 39.000 0.236 0.000 1.179 848 F HN 0.253 nan 8.300 nan 0.000 0.443 849 I N 5.284 126.125 120.570 0.451 0.000 2.465 849 I HA 0.560 4.731 4.170 0.001 0.000 0.291 849 I C -0.906 175.348 176.117 0.229 0.000 1.014 849 I CA -0.654 60.827 61.300 0.301 0.000 1.093 849 I CB 2.128 40.253 38.000 0.209 0.000 1.267 849 I HN 0.454 nan 8.210 nan 0.000 0.431 850 I N 5.095 125.762 120.570 0.162 0.000 2.607 850 I HA 0.287 4.458 4.170 0.001 0.000 0.290 850 I C -0.669 175.489 176.117 0.069 0.000 1.129 850 I CA -0.450 60.901 61.300 0.084 0.000 1.042 850 I CB 2.591 40.624 38.000 0.055 0.000 1.242 850 I HN 0.573 nan 8.210 nan 0.000 0.421 851 Q N 4.335 124.149 119.800 0.023 0.000 2.282 851 Q HA 0.759 5.099 4.340 0.001 0.000 0.260 851 Q C -1.087 174.931 176.000 0.030 0.000 0.964 851 Q CA -0.272 55.552 55.803 0.036 0.000 0.880 851 Q CB 2.072 30.817 28.738 0.012 0.000 1.286 851 Q HN 0.704 nan 8.270 nan 0.000 0.445 852 S N 1.661 117.386 115.700 0.042 0.000 2.587 852 S HA 0.134 4.605 4.470 0.001 0.000 0.269 852 S C -0.290 174.338 174.600 0.047 0.000 1.154 852 S CA -0.556 57.669 58.200 0.042 0.000 0.824 852 S CB 1.657 64.882 63.200 0.042 0.000 1.118 852 S HN 0.866 nan 8.310 nan 0.000 0.462 853 E N 0.529 120.756 120.200 0.044 0.000 2.190 853 E HA 0.059 4.409 4.350 0.001 0.000 0.191 853 E C -0.218 176.409 176.600 0.044 0.000 0.978 853 E CA 0.418 56.841 56.400 0.039 0.000 0.839 853 E CB 0.067 29.783 29.700 0.027 0.000 0.787 853 E HN 0.380 nan 8.360 nan 0.000 0.473 854 K N 2.238 122.672 120.400 0.056 0.000 2.319 854 K HA 0.159 4.479 4.320 0.001 0.000 0.265 854 K C -2.180 174.473 176.600 0.089 0.000 1.000 854 K CA -2.252 54.076 56.287 0.068 0.000 0.943 854 K CB -0.483 32.123 32.500 0.178 0.000 0.950 854 K HN 0.105 nan 8.250 nan 0.000 0.485 855 P HA 0.126 nan 4.420 nan 0.000 0.274 855 P C -2.081 175.284 177.300 0.108 0.000 1.231 855 P CA -1.479 61.744 63.100 0.204 0.000 0.790 855 P CB 0.310 32.341 31.700 0.551 0.000 0.951 856 P HA -0.190 nan 4.420 nan 0.000 0.215 856 P C 1.501 178.741 177.300 -0.099 0.000 1.153 856 P CA 1.853 64.847 63.100 -0.176 0.000 0.853 856 P CB -0.794 30.570 31.700 -0.561 0.000 0.788 857 H N -3.204 115.876 119.070 0.017 0.000 2.466 857 H HA -0.234 4.322 4.556 0.001 0.000 0.297 857 H C 1.972 177.402 175.328 0.169 0.000 1.113 857 H CA 1.321 57.459 56.048 0.150 0.000 1.273 857 H CB -1.263 28.596 29.762 0.162 0.000 1.371 857 H HN 0.156 nan 8.280 nan 0.000 0.528 858 Y N 0.947 120.893 120.300 -0.591 0.000 2.230 858 Y HA 0.003 4.554 4.550 0.001 0.000 0.294 858 Y C 2.047 177.838 175.900 -0.180 0.000 1.120 858 Y CA 0.459 58.312 58.100 -0.412 0.000 1.129 858 Y CB -0.358 37.826 38.460 -0.459 0.000 1.040 858 Y HN 0.164 nan 8.280 nan 0.000 0.519 859 L N 1.054 122.150 121.223 -0.211 0.000 1.978 859 L HA -0.271 4.070 4.340 0.001 0.000 0.218 859 L C 2.409 179.151 176.870 -0.212 0.000 1.075 859 L CA 1.919 56.617 54.840 -0.235 0.000 0.767 859 L CB -1.542 40.450 42.059 -0.113 0.000 0.890 859 L HN 0.273 nan 8.230 nan 0.000 0.434 860 E N -0.061 120.074 120.200 -0.108 0.000 2.113 860 E HA -0.294 4.056 4.350 0.001 0.000 0.210 860 E C 2.211 178.754 176.600 -0.094 0.000 1.040 860 E CA 2.140 58.522 56.400 -0.030 0.000 0.847 860 E CB -0.398 29.393 29.700 0.153 0.000 0.755 860 E HN 0.706 nan 8.360 nan 0.000 0.459 861 S N 0.689 116.314 115.700 -0.125 0.000 2.368 861 S HA -0.087 4.384 4.470 0.001 0.000 0.224 861 S C 1.868 176.360 174.600 -0.180 0.000 1.029 861 S CA 0.614 58.735 58.200 -0.131 0.000 0.988 861 S CB -0.206 62.929 63.200 -0.107 0.000 0.838 861 S HN 0.135 nan 8.310 nan 0.000 0.462 862 R N 1.070 121.395 120.500 -0.293 0.000 2.075 862 R HA 0.079 4.420 4.340 0.001 0.000 0.232 862 R C 2.421 178.631 176.300 -0.149 0.000 1.126 862 R CA 1.205 57.154 56.100 -0.251 0.000 0.963 862 R CB -1.436 28.642 30.300 -0.369 0.000 0.858 862 R HN 0.430 nan 8.270 nan 0.000 0.435 863 V N 1.837 121.632 119.914 -0.199 0.000 2.332 863 V HA -0.201 3.919 4.120 0.001 0.000 0.248 863 V C 2.441 178.458 176.094 -0.128 0.000 1.055 863 V CA 1.705 63.846 62.300 -0.265 0.000 1.038 863 V CB -0.364 31.195 31.823 -0.439 0.000 0.651 863 V HN 0.231 nan 8.190 nan 0.000 0.450 864 E N 0.119 120.257 120.200 -0.102 0.000 2.072 864 E HA -0.134 4.216 4.350 0.001 0.000 0.191 864 E C 2.399 178.976 176.600 -0.038 0.000 0.985 864 E CA 1.427 57.788 56.400 -0.064 0.000 0.801 864 E CB -0.521 29.128 29.700 -0.084 0.000 0.750 864 E HN 0.548 nan 8.360 nan 0.000 0.452 865 A N 1.063 123.861 122.820 -0.038 0.000 1.883 865 A HA -0.217 4.103 4.320 0.001 0.000 0.217 865 A C 2.127 179.709 177.584 -0.004 0.000 1.186 865 A CA 1.643 53.666 52.037 -0.023 0.000 0.624 865 A CB -1.030 17.953 19.000 -0.029 0.000 0.822 865 A HN 0.347 nan 8.150 nan 0.000 0.444 866 F N -0.070 119.820 119.950 -0.100 0.000 2.202 866 F HA -0.164 4.363 4.527 0.001 0.000 0.301 866 F C 1.700 177.471 175.800 -0.049 0.000 1.082 866 F CA 1.559 59.512 58.000 -0.077 0.000 1.313 866 F CB -0.202 38.740 39.000 -0.097 0.000 1.024 866 F HN 0.163 nan 8.300 nan 0.000 0.495 867 L N 0.370 121.471 121.223 -0.203 0.000 2.109 867 L HA -0.103 4.238 4.340 0.001 0.000 0.207 867 L C 2.215 178.948 176.870 -0.229 0.000 1.086 867 L CA 1.432 56.149 54.840 -0.206 0.000 0.760 867 L CB -0.856 41.225 42.059 0.036 0.000 0.910 867 L HN 0.221 nan 8.230 nan 0.000 0.437 868 I N -1.395 119.087 120.570 -0.145 0.000 2.163 868 I HA -0.301 3.870 4.170 0.001 0.000 0.240 868 I C 2.150 178.155 176.117 -0.188 0.000 1.081 868 I CA 1.485 62.721 61.300 -0.108 0.000 1.353 868 I CB -0.714 37.252 38.000 -0.056 0.000 1.054 868 I HN 0.162 nan 8.210 nan 0.000 0.407 869 T N 0.621 115.043 114.554 -0.219 0.000 2.802 869 T HA -0.272 4.078 4.350 0.001 0.000 0.269 869 T C 1.720 176.234 174.700 -0.310 0.000 1.062 869 T CA 1.727 63.694 62.100 -0.223 0.000 1.133 869 T CB -0.222 68.523 68.868 -0.206 0.000 0.852 869 T HN 0.180 nan 8.240 nan 0.000 0.485 870 M N 0.377 119.684 119.600 -0.489 0.000 2.435 870 M HA 0.172 4.652 4.480 0.001 0.000 0.265 870 M C 2.032 178.098 176.300 -0.390 0.000 1.104 870 M CA 1.009 55.995 55.300 -0.524 0.000 1.140 870 M CB -0.104 32.020 32.600 -0.794 0.000 1.372 870 M HN 0.231 nan 8.290 nan 0.000 0.456 871 E N -0.171 119.801 120.200 -0.379 0.000 2.046 871 E HA -0.251 4.099 4.350 0.001 0.000 0.190 871 E C 1.983 178.483 176.600 -0.168 0.000 0.982 871 E CA 1.231 57.432 56.400 -0.330 0.000 0.800 871 E CB -0.133 29.407 29.700 -0.266 0.000 0.756 871 E HN 0.493 nan 8.360 nan 0.000 0.449 872 K N 0.350 120.670 120.400 -0.133 0.000 2.063 872 K HA -0.150 4.171 4.320 0.001 0.000 0.208 872 K C 2.311 178.862 176.600 -0.083 0.000 1.048 872 K CA 1.578 57.814 56.287 -0.085 0.000 0.928 872 K CB -0.256 32.201 32.500 -0.070 0.000 0.713 872 K HN 0.002 nan 8.250 nan 0.000 0.442 873 S N 0.182 115.813 115.700 -0.114 0.000 2.399 873 S HA -0.068 4.402 4.470 0.001 0.000 0.231 873 S C 1.733 176.298 174.600 -0.059 0.000 1.022 873 S CA 1.267 59.415 58.200 -0.087 0.000 0.983 873 S CB -0.185 62.945 63.200 -0.117 0.000 0.803 873 S HN 0.359 nan 8.310 nan 0.000 0.480 874 I N 0.364 120.887 120.570 -0.078 0.000 2.585 874 I HA 0.022 4.193 4.170 0.001 0.000 0.254 874 I C 2.429 178.534 176.117 -0.021 0.000 1.129 874 I CA 0.642 61.926 61.300 -0.028 0.000 1.455 874 I CB -0.370 37.615 38.000 -0.026 0.000 1.111 874 I HN 0.206 nan 8.210 nan 0.000 0.433 875 E N 1.523 121.701 120.200 -0.038 0.000 2.086 875 E HA -0.272 4.079 4.350 0.001 0.000 0.200 875 E C 1.486 178.070 176.600 -0.027 0.000 1.012 875 E CA 1.882 58.264 56.400 -0.031 0.000 0.812 875 E CB 0.014 29.696 29.700 -0.031 0.000 0.743 875 E HN 0.385 nan 8.360 nan 0.000 0.453 876 D N -0.773 119.613 120.400 -0.024 0.000 2.305 876 D HA 0.026 4.666 4.640 0.001 0.000 0.206 876 D C 0.644 176.941 176.300 -0.005 0.000 0.974 876 D CA 0.266 54.257 54.000 -0.015 0.000 0.871 876 D CB -0.290 40.501 40.800 -0.015 0.000 0.947 876 D HN 0.343 nan 8.370 nan 0.000 0.516 877 M N 1.016 120.620 119.600 0.007 0.000 2.249 877 M HA 0.089 4.570 4.480 0.001 0.000 0.340 877 M C 0.714 177.036 176.300 0.035 0.000 1.166 877 M CA -0.095 55.225 55.300 0.034 0.000 1.115 877 M CB 0.561 33.205 32.600 0.074 0.000 1.606 877 M HN -0.137 nan 8.290 nan 0.000 0.448 878 T N 0.177 114.752 114.554 0.035 0.000 2.791 878 T HA 0.042 4.393 4.350 0.001 0.000 0.323 878 T C 0.899 175.626 174.700 0.043 0.000 1.082 878 T CA 0.330 62.445 62.100 0.026 0.000 1.084 878 T CB 0.755 69.634 68.868 0.018 0.000 0.992 878 T HN 0.950 nan 8.240 nan 0.000 0.547 879 E N 1.385 121.601 120.200 0.027 0.000 2.005 879 E HA -0.179 4.171 4.350 0.001 0.000 0.198 879 E C 1.909 178.569 176.600 0.100 0.000 1.010 879 E CA 2.416 58.837 56.400 0.036 0.000 0.825 879 E CB -0.617 29.092 29.700 0.015 0.000 0.769 879 E HN 0.961 nan 8.360 nan 0.000 0.456 880 E N -0.156 120.081 120.200 0.063 0.000 2.511 880 E HA 0.190 4.540 4.350 0.001 0.000 0.196 880 E C 1.642 178.245 176.600 0.006 0.000 1.066 880 E CA 0.693 57.124 56.400 0.051 0.000 0.871 880 E CB -0.075 29.641 29.700 0.027 0.000 0.863 880 E HN 0.296 nan 8.360 nan 0.000 0.520 881 A N 1.262 124.090 122.820 0.012 0.000 1.858 881 A HA -0.140 4.181 4.320 0.001 0.000 0.216 881 A C 1.980 179.518 177.584 -0.075 0.000 1.190 881 A CA 1.314 53.311 52.037 -0.067 0.000 0.617 881 A CB -0.989 18.003 19.000 -0.013 0.000 0.827 881 A HN 0.413 nan 8.150 nan 0.000 0.443 882 F N 0.465 120.389 119.950 -0.044 0.000 2.087 882 F HA -0.297 4.230 4.527 0.001 0.000 0.299 882 F C 2.427 178.223 175.800 -0.008 0.000 1.100 882 F CA 2.546 60.564 58.000 0.030 0.000 1.226 882 F CB -0.338 38.681 39.000 0.031 0.000 0.983 882 F HN 0.287 nan 8.300 nan 0.000 0.479 883 Q N 0.397 120.248 119.800 0.086 0.000 2.291 883 Q HA -0.150 4.191 4.340 0.001 0.000 0.205 883 Q C 2.058 177.978 176.000 -0.132 0.000 0.970 883 Q CA 1.405 57.194 55.803 -0.023 0.000 0.876 883 Q CB -0.154 28.624 28.738 0.066 0.000 0.935 883 Q HN 0.393 nan 8.270 nan 0.000 0.455 884 K N -1.212 119.070 120.400 -0.197 0.000 2.057 884 K HA -0.144 4.177 4.320 0.001 0.000 0.206 884 K C 1.923 178.328 176.600 -0.325 0.000 1.050 884 K CA 1.256 57.362 56.287 -0.303 0.000 0.935 884 K CB -0.035 32.183 32.500 -0.470 0.000 0.715 884 K HN 0.340 nan 8.250 nan 0.000 0.439 885 H N 0.444 119.345 119.070 -0.283 0.000 2.357 885 H HA -0.041 4.515 4.556 0.001 0.000 0.301 885 H C 2.128 177.276 175.328 -0.300 0.000 1.082 885 H CA 1.216 57.083 56.048 -0.302 0.000 1.342 885 H CB -0.141 29.422 29.762 -0.331 0.000 1.389 885 H HN 0.165 nan 8.280 nan 0.000 0.511 886 I N 0.674 121.092 120.570 -0.254 0.000 2.163 886 I HA -0.305 3.865 4.170 0.001 0.000 0.243 886 I C 2.650 178.692 176.117 -0.124 0.000 1.085 886 I CA 1.471 62.638 61.300 -0.221 0.000 1.347 886 I CB -0.288 37.560 38.000 -0.255 0.000 1.044 886 I HN 0.194 nan 8.210 nan 0.000 0.408 887 Q N 1.213 120.945 119.800 -0.113 0.000 2.084 887 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 887 Q C 2.137 178.102 176.000 -0.059 0.000 0.978 887 Q CA 2.313 58.075 55.803 -0.067 0.000 0.844 887 Q CB -0.349 28.359 28.738 -0.050 0.000 0.898 887 Q HN 0.497 nan 8.270 nan 0.000 0.426 888 A N 0.271 123.037 122.820 -0.090 0.000 1.873 888 A HA -0.125 4.195 4.320 0.001 0.000 0.215 888 A C 2.143 179.698 177.584 -0.049 0.000 1.186 888 A CA 1.267 53.260 52.037 -0.075 0.000 0.616 888 A CB -0.882 18.052 19.000 -0.111 0.000 0.823 888 A HN 0.484 nan 8.150 nan 0.000 0.442 889 L N -0.587 120.601 121.223 -0.059 0.000 1.989 889 L HA -0.243 4.098 4.340 0.001 0.000 0.211 889 L C 3.002 179.852 176.870 -0.032 0.000 1.071 889 L CA 1.699 56.509 54.840 -0.050 0.000 0.749 889 L CB -0.646 41.372 42.059 -0.068 0.000 0.890 889 L HN 0.458 nan 8.230 nan 0.000 0.431 890 A N 0.361 123.160 122.820 -0.035 0.000 1.869 890 A HA -0.309 4.011 4.320 0.001 0.000 0.218 890 A C 2.070 179.654 177.584 0.001 0.000 1.203 890 A CA 2.417 54.444 52.037 -0.016 0.000 0.638 890 A CB -0.993 17.996 19.000 -0.018 0.000 0.831 890 A HN 0.503 nan 8.150 nan 0.000 0.450 891 I N -0.886 119.686 120.570 0.005 0.000 2.208 891 I HA -0.307 3.863 4.170 0.001 0.000 0.245 891 I C 2.788 178.921 176.117 0.025 0.000 1.097 891 I CA 1.560 62.874 61.300 0.024 0.000 1.363 891 I CB -0.350 37.670 38.000 0.033 0.000 1.051 891 I HN 0.307 nan 8.210 nan 0.000 0.413 892 R N 0.278 120.785 120.500 0.012 0.000 2.096 892 R HA -0.172 4.168 4.340 0.001 0.000 0.240 892 R C 2.391 178.699 176.300 0.013 0.000 1.139 892 R CA 1.306 57.413 56.100 0.012 0.000 0.952 892 R CB -0.417 29.882 30.300 -0.001 0.000 0.854 892 R HN 0.310 nan 8.270 nan 0.000 0.436 893 R N 0.516 121.020 120.500 0.007 0.000 2.148 893 R HA 0.030 4.370 4.340 0.001 0.000 0.223 893 R C 1.971 178.281 176.300 0.017 0.000 1.088 893 R CA 0.832 56.937 56.100 0.008 0.000 0.985 893 R CB -0.170 30.130 30.300 0.001 0.000 0.880 893 R HN 0.295 nan 8.270 nan 0.000 0.451 894 L N 0.945 122.182 121.223 0.023 0.000 2.667 894 L HA 0.117 4.457 4.340 0.001 0.000 0.232 894 L C 0.315 177.205 176.870 0.035 0.000 1.138 894 L CA -0.333 54.526 54.840 0.032 0.000 0.921 894 L CB 0.017 42.096 42.059 0.033 0.000 1.180 894 L HN -0.077 nan 8.230 nan 0.000 0.487 895 D N 2.476 122.895 120.400 0.033 0.000 2.451 895 D HA -0.031 4.610 4.640 0.001 0.000 0.254 895 D C 0.101 176.420 176.300 0.031 0.000 1.204 895 D CA 0.365 54.386 54.000 0.035 0.000 0.896 895 D CB 0.754 41.574 40.800 0.034 0.000 1.136 895 D HN -0.096 nan 8.370 nan 0.000 0.499 896 K N 4.723 125.140 120.400 0.030 0.000 2.295 896 K HA 0.238 4.558 4.320 0.001 0.000 0.270 896 K C -2.157 174.472 176.600 0.049 0.000 1.011 896 K CA -1.521 54.786 56.287 0.033 0.000 0.953 896 K CB 0.026 32.537 32.500 0.018 0.000 0.956 896 K HN 0.353 nan 8.250 nan 0.000 0.477 897 P HA 0.036 nan 4.420 nan 0.000 0.268 897 P C 0.299 177.713 177.300 0.190 0.000 1.205 897 P CA 0.023 63.181 63.100 0.097 0.000 0.771 897 P CB 0.506 32.274 31.700 0.114 0.000 0.858 898 K N 2.106 122.556 120.400 0.084 0.000 2.354 898 K HA 0.106 4.427 4.320 0.001 0.000 0.194 898 K C 0.624 177.179 176.600 -0.075 0.000 1.045 898 K CA 0.695 57.045 56.287 0.106 0.000 1.026 898 K CB 0.308 32.812 32.500 0.006 0.000 0.866 898 K HN 0.510 nan 8.250 nan 0.000 0.530 899 K N -0.072 120.071 120.400 -0.429 0.000 2.444 899 K HA 0.278 4.598 4.320 0.001 0.000 0.252 899 K C 0.657 176.501 176.600 -1.259 0.000 0.993 899 K CA -0.776 54.947 56.287 -0.940 0.000 0.847 899 K CB 1.713 33.919 32.500 -0.490 0.000 1.340 899 K HN -0.173 nan 8.250 nan 0.000 0.446 900 L N 1.895 122.285 121.223 -1.388 0.000 1.990 900 L HA -0.266 4.075 4.340 0.001 0.000 0.213 900 L C 2.365 178.999 176.870 -0.392 0.000 1.072 900 L CA 2.906 57.246 54.840 -0.833 0.000 0.755 900 L CB -0.645 41.068 42.059 -0.577 0.000 0.889 900 L HN 0.961 nan 8.230 nan 0.000 0.432 901 S N -0.634 114.866 115.700 -0.334 0.000 2.419 901 S HA -0.123 4.348 4.470 0.001 0.000 0.233 901 S C 2.080 176.598 174.600 -0.137 0.000 1.016 901 S CA 0.797 58.885 58.200 -0.188 0.000 0.974 901 S CB -1.016 62.080 63.200 -0.174 0.000 0.786 901 S HN 0.566 nan 8.310 nan 0.000 0.492 902 A N 1.765 124.480 122.820 -0.174 0.000 1.877 902 A HA -0.111 4.209 4.320 0.001 0.000 0.216 902 A C 2.230 179.756 177.584 -0.096 0.000 1.186 902 A CA 1.580 53.548 52.037 -0.114 0.000 0.620 902 A CB -0.830 18.102 19.000 -0.114 0.000 0.822 902 A HN 0.646 nan 8.150 nan 0.000 0.443 903 E N -0.088 120.055 120.200 -0.095 0.000 2.051 903 E HA -0.139 4.212 4.350 0.001 0.000 0.192 903 E C 2.260 178.691 176.600 -0.281 0.000 0.991 903 E CA 1.307 57.606 56.400 -0.167 0.000 0.799 903 E CB -0.068 29.661 29.700 0.048 0.000 0.748 903 E HN 0.590 nan 8.360 nan 0.000 0.449 904 S N 0.767 116.470 115.700 0.006 0.000 2.374 904 S HA -0.245 4.225 4.470 0.001 0.000 0.227 904 S C 2.074 176.741 174.600 0.113 0.000 1.037 904 S CA 1.154 59.437 58.200 0.137 0.000 1.024 904 S CB -0.376 62.926 63.200 0.170 0.000 0.861 904 S HN 0.461 nan 8.310 nan 0.000 0.456 905 A N 1.618 124.467 122.820 0.048 0.000 1.883 905 A HA -0.180 4.140 4.320 0.001 0.000 0.217 905 A C 2.082 179.729 177.584 0.105 0.000 1.186 905 A CA 1.872 53.968 52.037 0.097 0.000 0.624 905 A CB -0.585 18.435 19.000 0.033 0.000 0.822 905 A HN 0.444 nan 8.150 nan 0.000 0.444 906 K N -1.538 118.857 120.400 -0.009 0.000 2.103 906 K HA -0.177 4.144 4.320 0.001 0.000 0.207 906 K C 1.831 178.507 176.600 0.126 0.000 1.048 906 K CA 1.970 58.249 56.287 -0.014 0.000 0.930 906 K CB -0.323 32.100 32.500 -0.128 0.000 0.716 906 K HN 0.759 nan 8.250 nan 0.000 0.444 907 Y N -1.245 119.121 120.300 0.111 0.000 2.153 907 Y HA -0.263 4.287 4.550 0.001 0.000 0.289 907 Y C 2.398 178.406 175.900 0.179 0.000 1.127 907 Y CA 0.278 58.459 58.100 0.136 0.000 1.131 907 Y CB -0.265 38.178 38.460 -0.028 0.000 0.995 907 Y HN 0.308 nan 8.280 nan 0.000 0.505 908 W N 1.560 122.953 121.300 0.154 0.000 2.304 908 W HA -0.262 4.398 4.660 0.001 0.000 0.315 908 W C 2.145 178.661 176.519 -0.005 0.000 1.233 908 W CA 1.736 59.119 57.345 0.062 0.000 1.261 908 W CB -0.645 28.853 29.460 0.064 0.000 1.150 908 W HN 0.205 nan 8.180 nan 0.000 0.494 909 G N 0.738 109.591 108.800 0.090 0.000 2.631 909 G HA2 -0.370 3.590 3.960 0.001 0.000 0.219 909 G HA3 -0.370 3.590 3.960 0.001 0.000 0.219 909 G C 1.258 176.026 174.900 -0.221 0.000 1.214 909 G CA 1.484 46.545 45.100 -0.066 0.000 0.785 909 G HN 0.238 nan 8.290 nan 0.000 0.596 910 E N 0.442 120.526 120.200 -0.195 0.000 2.130 910 E HA -0.130 4.220 4.350 0.001 0.000 0.196 910 E C 2.574 178.764 176.600 -0.682 0.000 0.998 910 E CA 0.800 56.955 56.400 -0.409 0.000 0.806 910 E CB -0.258 29.178 29.700 -0.439 0.000 0.738 910 E HN 0.600 nan 8.360 nan 0.000 0.459 911 I N 1.388 121.600 120.570 -0.596 0.000 2.185 911 I HA -0.185 3.985 4.170 0.001 0.000 0.235 911 I C 2.518 178.168 176.117 -0.778 0.000 1.069 911 I CA 0.696 61.529 61.300 -0.779 0.000 1.354 911 I CB -0.454 37.190 38.000 -0.594 0.000 1.093 911 I HN 0.095 nan 8.210 nan 0.000 0.411 912 I N 0.465 120.504 120.570 -0.885 0.000 2.454 912 I HA -0.192 3.978 4.170 0.001 0.000 0.254 912 I C 2.388 178.286 176.117 -0.365 0.000 1.156 912 I CA 2.126 63.055 61.300 -0.618 0.000 1.433 912 I CB -1.140 36.483 38.000 -0.628 0.000 1.082 912 I HN 0.304 nan 8.210 nan 0.000 0.432 913 S N 0.716 116.177 115.700 -0.400 0.000 2.561 913 S HA -0.054 4.416 4.470 0.001 0.000 0.225 913 S C 1.112 175.505 174.600 -0.346 0.000 0.977 913 S CA 0.306 58.330 58.200 -0.293 0.000 0.926 913 S CB -0.323 62.723 63.200 -0.258 0.000 0.769 913 S HN 0.651 nan 8.310 nan 0.000 0.533 914 Q N -0.653 118.819 119.800 -0.546 0.000 2.424 914 Q HA -0.225 4.116 4.340 0.001 0.000 0.234 914 Q C 0.646 176.319 176.000 -0.546 0.000 0.748 914 Q CA 1.565 57.027 55.803 -0.567 0.000 1.286 914 Q CB -2.169 26.430 28.738 -0.232 0.000 1.494 914 Q HN 0.848 nan 8.270 nan 0.000 0.683 915 Q N -1.064 118.370 119.800 -0.610 0.000 2.392 915 Q HA 0.086 4.426 4.340 0.001 0.000 0.219 915 Q C -0.084 175.727 176.000 -0.314 0.000 0.895 915 Q CA 0.308 55.913 55.803 -0.331 0.000 0.929 915 Q CB 0.411 28.994 28.738 -0.257 0.000 1.077 915 Q HN 0.492 nan 8.270 nan 0.000 0.532 916 Y N 0.578 120.566 120.300 -0.520 0.000 3.978 916 Y HA -0.242 4.308 4.550 0.001 0.000 0.219 916 Y C 0.174 175.413 175.900 -1.103 0.000 1.153 916 Y CA 0.411 57.966 58.100 -0.909 0.000 1.718 916 Y CB -1.826 36.326 38.460 -0.513 0.000 1.541 916 Y HN 0.189 nan 8.280 nan 0.000 0.640 917 N N 0.662 118.886 118.700 -0.793 0.000 2.949 917 N HA 0.234 4.975 4.740 0.001 0.000 0.243 917 N C 0.255 175.383 175.510 -0.636 0.000 1.113 917 N CA -0.442 52.177 53.050 -0.719 0.000 0.980 917 N CB -0.241 37.953 38.487 -0.488 0.000 1.256 917 N HN 0.112 nan 8.380 nan 0.000 0.508 918 F N -0.030 119.638 119.950 -0.471 0.000 2.407 918 F HA 0.082 4.609 4.527 0.001 0.000 0.299 918 F C 1.729 177.012 175.800 -0.862 0.000 1.097 918 F CA 0.330 57.964 58.000 -0.609 0.000 1.422 918 F CB -0.035 38.497 39.000 -0.779 0.000 1.067 918 F HN 0.376 nan 8.300 nan 0.000 0.539 919 D N -0.326 119.731 120.400 -0.573 0.000 2.358 919 D HA 0.022 4.662 4.640 0.001 0.000 0.224 919 D C 2.155 178.359 176.300 -0.160 0.000 1.123 919 D CA -0.022 53.774 54.000 -0.340 0.000 0.833 919 D CB -0.074 40.645 40.800 -0.134 0.000 0.946 919 D HN 0.019 nan 8.370 nan 0.000 0.505 920 R N 0.333 120.716 120.500 -0.196 0.000 2.133 920 R HA -0.201 4.139 4.340 0.001 0.000 0.245 920 R C 0.982 177.244 176.300 -0.064 0.000 1.137 920 R CA 2.132 58.147 56.100 -0.142 0.000 0.947 920 R CB -0.093 30.121 30.300 -0.142 0.000 0.865 920 R HN 0.203 nan 8.270 nan 0.000 0.437 921 D N -0.165 120.218 120.400 -0.028 0.000 2.104 921 D HA -0.158 4.483 4.640 0.001 0.000 0.194 921 D C 1.630 177.940 176.300 0.018 0.000 0.994 921 D CA 1.724 55.726 54.000 0.002 0.000 0.830 921 D CB -0.562 40.253 40.800 0.025 0.000 0.959 921 D HN 0.493 nan 8.370 nan 0.000 0.452 922 N N 0.005 118.726 118.700 0.035 0.000 2.084 922 N HA -0.137 4.604 4.740 0.001 0.000 0.190 922 N C 1.943 177.476 175.510 0.039 0.000 1.030 922 N CA 1.983 55.061 53.050 0.048 0.000 0.849 922 N CB -0.143 38.389 38.487 0.075 0.000 1.012 922 N HN 0.255 nan 8.380 nan 0.000 0.423 923 T N -0.551 114.018 114.554 0.025 0.000 2.737 923 T HA -0.052 4.298 4.350 0.001 0.000 0.265 923 T C 1.620 176.344 174.700 0.040 0.000 1.038 923 T CA 0.938 63.058 62.100 0.033 0.000 1.144 923 T CB -0.416 68.463 68.868 0.019 0.000 0.866 923 T HN 0.203 nan 8.240 nan 0.000 0.434 924 E N 0.746 120.951 120.200 0.007 0.000 2.110 924 E HA -0.057 4.293 4.350 0.001 0.000 0.193 924 E C 2.380 179.013 176.600 0.055 0.000 0.988 924 E CA 0.967 57.371 56.400 0.008 0.000 0.804 924 E CB -0.262 29.418 29.700 -0.034 0.000 0.745 924 E HN 0.326 nan 8.360 nan 0.000 0.458 925 V N 1.221 121.157 119.914 0.036 0.000 2.379 925 V HA -0.208 3.912 4.120 0.001 0.000 0.245 925 V C 2.320 178.435 176.094 0.035 0.000 1.044 925 V CA 1.633 63.950 62.300 0.028 0.000 1.036 925 V CB -0.560 31.274 31.823 0.018 0.000 0.664 925 V HN 0.289 nan 8.190 nan 0.000 0.453 926 A N -0.751 122.098 122.820 0.049 0.000 1.908 926 A HA -0.308 4.012 4.320 0.001 0.000 0.218 926 A C 2.171 179.790 177.584 0.058 0.000 1.181 926 A CA 2.337 54.403 52.037 0.047 0.000 0.627 926 A CB -0.798 18.236 19.000 0.056 0.000 0.818 926 A HN 0.696 nan 8.150 nan 0.000 0.445 927 Y N -0.276 119.998 120.300 -0.043 0.000 2.314 927 Y HA -0.036 4.515 4.550 0.001 0.000 0.293 927 Y C 1.979 177.820 175.900 -0.097 0.000 1.129 927 Y CA 1.250 59.310 58.100 -0.067 0.000 1.201 927 Y CB -0.082 38.328 38.460 -0.083 0.000 0.999 927 Y HN 0.241 nan 8.280 nan 0.000 0.541 928 L N 0.685 121.945 121.223 0.061 0.000 2.043 928 L HA -0.314 4.027 4.340 0.001 0.000 0.212 928 L C 2.115 178.908 176.870 -0.129 0.000 1.075 928 L CA 2.123 56.933 54.840 -0.050 0.000 0.752 928 L CB -0.458 41.589 42.059 -0.021 0.000 0.891 928 L HN 0.310 nan 8.230 nan 0.000 0.432 929 K N -0.847 119.495 120.400 -0.096 0.000 2.148 929 K HA -0.127 4.193 4.320 0.001 0.000 0.204 929 K C 1.736 178.282 176.600 -0.090 0.000 1.050 929 K CA 1.812 58.054 56.287 -0.075 0.000 0.942 929 K CB -0.024 32.453 32.500 -0.039 0.000 0.724 929 K HN 0.531 nan 8.250 nan 0.000 0.446 930 T N -0.470 113.977 114.554 -0.179 0.000 3.118 930 T HA 0.029 4.379 4.350 0.001 0.000 0.260 930 T C 0.549 175.144 174.700 -0.174 0.000 1.139 930 T CA -0.093 61.904 62.100 -0.173 0.000 1.085 930 T CB -0.019 68.716 68.868 -0.221 0.000 0.934 930 T HN -0.108 nan 8.240 nan 0.000 0.518 931 L N 3.894 124.996 121.223 -0.201 0.000 2.455 931 L HA 0.343 4.683 4.340 0.001 0.000 0.272 931 L C 0.785 177.749 176.870 0.156 0.000 1.174 931 L CA 0.404 55.193 54.840 -0.084 0.000 0.869 931 L CB 0.555 42.544 42.059 -0.118 0.000 1.130 931 L HN 0.411 nan 8.230 nan 0.000 0.474 932 T N 0.127 114.770 114.554 0.150 0.000 2.940 932 T HA 0.326 4.676 4.350 0.001 0.000 0.288 932 T C 1.009 175.655 174.700 -0.090 0.000 1.033 932 T CA -0.821 61.310 62.100 0.051 0.000 1.033 932 T CB 1.252 70.103 68.868 -0.028 0.000 1.079 932 T HN 0.595 nan 8.240 nan 0.000 0.496 933 K N 0.219 120.172 120.400 -0.746 0.000 2.113 933 K HA -0.192 4.129 4.320 0.001 0.000 0.208 933 K C 2.013 178.505 176.600 -0.180 0.000 1.047 933 K CA 1.545 57.375 56.287 -0.762 0.000 0.928 933 K CB -0.101 31.845 32.500 -0.924 0.000 0.716 933 K HN 0.622 nan 8.250 nan 0.000 0.446 934 E N 1.335 121.458 120.200 -0.129 0.000 2.068 934 E HA -0.248 4.102 4.350 0.001 0.000 0.207 934 E C 1.695 178.334 176.600 0.065 0.000 1.032 934 E CA 1.789 58.177 56.400 -0.019 0.000 0.839 934 E CB -0.452 29.241 29.700 -0.012 0.000 0.758 934 E HN 0.415 nan 8.360 nan 0.000 0.457 935 D N 0.349 120.826 120.400 0.128 0.000 2.092 935 D HA -0.142 4.498 4.640 0.001 0.000 0.193 935 D C 2.078 178.529 176.300 0.252 0.000 0.994 935 D CA 0.635 54.778 54.000 0.239 0.000 0.828 935 D CB -0.400 40.659 40.800 0.432 0.000 0.963 935 D HN 0.130 nan 8.370 nan 0.000 0.450 936 I N 1.383 122.152 120.570 0.332 0.000 2.194 936 I HA -0.239 3.932 4.170 0.001 0.000 0.246 936 I C 2.373 178.701 176.117 0.351 0.000 1.093 936 I CA 0.946 62.483 61.300 0.395 0.000 1.355 936 I CB -0.872 37.400 38.000 0.455 0.000 1.046 936 I HN 0.072 nan 8.210 nan 0.000 0.413 937 I N 0.475 121.181 120.570 0.226 0.000 2.163 937 I HA -0.272 3.898 4.170 0.001 0.000 0.240 937 I C 2.536 178.743 176.117 0.150 0.000 1.081 937 I CA 1.227 62.642 61.300 0.192 0.000 1.353 937 I CB -1.201 36.862 38.000 0.105 0.000 1.054 937 I HN 0.310 nan 8.210 nan 0.000 0.407 938 K N 1.036 121.487 120.400 0.085 0.000 2.020 938 K HA -0.263 4.057 4.320 0.001 0.000 0.212 938 K C 2.378 178.952 176.600 -0.044 0.000 1.050 938 K CA 1.863 58.155 56.287 0.009 0.000 0.929 938 K CB -0.470 32.027 32.500 -0.005 0.000 0.714 938 K HN 0.149 nan 8.250 nan 0.000 0.443 939 F N 0.919 120.743 119.950 -0.209 0.000 2.091 939 F HA -0.321 4.207 4.527 0.001 0.000 0.299 939 F C 2.279 177.943 175.800 -0.228 0.000 1.103 939 F CA 2.120 59.931 58.000 -0.315 0.000 1.228 939 F CB -0.827 37.900 39.000 -0.454 0.000 0.984 939 F HN 0.209 nan 8.300 nan 0.000 0.477 940 Y N 1.152 121.303 120.300 -0.248 0.000 2.181 940 Y HA -0.227 4.324 4.550 0.001 0.000 0.288 940 Y C 2.258 177.946 175.900 -0.354 0.000 1.146 940 Y CA 1.916 59.776 58.100 -0.400 0.000 1.164 940 Y CB -0.271 38.127 38.460 -0.103 0.000 0.982 940 Y HN -0.110 nan 8.280 nan 0.000 0.515 941 K N 0.477 120.677 120.400 -0.332 0.000 2.057 941 K HA -0.132 4.188 4.320 0.001 0.000 0.206 941 K C 1.983 178.351 176.600 -0.386 0.000 1.050 941 K CA 1.351 57.421 56.287 -0.362 0.000 0.935 941 K CB -0.386 32.035 32.500 -0.133 0.000 0.715 941 K HN 0.467 nan 8.250 nan 0.000 0.439 942 E N -0.106 119.887 120.200 -0.345 0.000 2.072 942 E HA -0.085 4.265 4.350 0.001 0.000 0.191 942 E C 1.832 178.176 176.600 -0.425 0.000 0.985 942 E CA 1.035 57.241 56.400 -0.324 0.000 0.801 942 E CB 0.167 29.710 29.700 -0.262 0.000 0.750 942 E HN 0.187 nan 8.360 nan 0.000 0.452 943 M N -1.125 118.105 119.600 -0.616 0.000 2.858 943 M HA 0.117 4.597 4.480 0.001 0.000 0.255 943 M C 2.215 178.140 176.300 -0.626 0.000 1.336 943 M CA 0.687 55.596 55.300 -0.651 0.000 1.220 943 M CB -0.347 31.713 32.600 -0.899 0.000 1.252 943 M HN 0.005 nan 8.290 nan 0.000 0.538 944 L N -0.379 120.381 121.223 -0.771 0.000 2.500 944 L HA 0.403 4.743 4.340 0.001 0.000 0.219 944 L C 1.161 177.578 176.870 -0.754 0.000 1.057 944 L CA -0.246 54.168 54.840 -0.711 0.000 0.854 944 L CB -0.382 41.288 42.059 -0.648 0.000 1.078 944 L HN 0.068 nan 8.230 nan 0.000 0.480 945 A N 0.582 122.726 122.820 -1.126 0.000 2.587 945 A HA -0.012 4.308 4.320 0.001 0.000 0.233 945 A C 1.498 178.821 177.584 -0.436 0.000 1.049 945 A CA 0.565 52.069 52.037 -0.888 0.000 0.754 945 A CB 0.313 18.776 19.000 -0.894 0.000 0.977 945 A HN 0.099 nan 8.150 nan 0.000 0.509 946 V N 1.285 121.040 119.914 -0.264 0.000 2.527 946 V HA -0.198 3.922 4.120 0.001 0.000 0.255 946 V C 1.052 177.047 176.094 -0.165 0.000 1.081 946 V CA 2.848 65.039 62.300 -0.182 0.000 1.092 946 V CB -0.705 31.044 31.823 -0.123 0.000 0.673 946 V HN 1.025 nan 8.190 nan 0.000 0.470 947 D N -0.228 120.065 120.400 -0.178 0.000 2.788 947 D HA 0.428 5.068 4.640 0.001 0.000 0.289 947 D C 0.141 176.333 176.300 -0.181 0.000 1.340 947 D CA 0.322 54.236 54.000 -0.144 0.000 0.831 947 D CB 0.087 40.825 40.800 -0.103 0.000 1.103 947 D HN 0.505 nan 8.370 nan 0.000 0.476 948 A N 1.895 124.566 122.820 -0.249 0.000 2.440 948 A HA 0.411 4.732 4.320 0.001 0.000 0.251 948 A C -0.975 176.484 177.584 -0.209 0.000 1.089 948 A CA -0.999 50.870 52.037 -0.279 0.000 0.779 948 A CB 0.633 19.398 19.000 -0.393 0.000 1.022 948 A HN 0.080 nan 8.150 nan 0.000 0.492 949 P HA -0.163 nan 4.420 nan 0.000 0.217 949 P C 0.581 177.799 177.300 -0.136 0.000 1.148 949 P CA 1.323 64.350 63.100 -0.122 0.000 0.828 949 P CB 0.172 31.813 31.700 -0.098 0.000 0.783 950 R N -0.571 119.796 120.500 -0.221 0.000 2.633 950 R HA 0.203 4.544 4.340 0.001 0.000 0.348 950 R C 0.807 176.682 176.300 -0.708 0.000 1.100 950 R CA -0.453 55.454 56.100 -0.322 0.000 1.068 950 R CB 0.257 30.428 30.300 -0.216 0.000 1.351 950 R HN 0.155 nan 8.270 nan 0.000 0.575 951 R N 1.417 121.640 120.500 -0.463 0.000 2.370 951 R HA 0.064 4.404 4.340 0.001 0.000 0.309 951 R C -0.961 175.155 176.300 -0.307 0.000 1.059 951 R CA 0.103 55.965 56.100 -0.398 0.000 0.981 951 R CB 0.249 30.415 30.300 -0.223 0.000 0.972 951 R HN 0.244 nan 8.270 nan 0.000 0.437 952 H N 3.393 122.495 119.070 0.054 0.000 2.587 952 H HA 0.274 4.830 4.556 0.001 0.000 0.325 952 H C -0.759 174.628 175.328 0.099 0.000 1.012 952 H CA -0.877 55.232 56.048 0.102 0.000 1.213 952 H CB 1.543 31.354 29.762 0.082 0.000 1.431 952 H HN 0.392 nan 8.280 nan 0.000 0.492 953 K N 3.345 123.915 120.400 0.283 0.000 2.443 953 K HA 0.583 4.903 4.320 0.001 0.000 0.252 953 K C -1.710 175.128 176.600 0.398 0.000 0.933 953 K CA -0.700 55.689 56.287 0.170 0.000 0.792 953 K CB 1.542 34.048 32.500 0.010 0.000 1.185 953 K HN 0.392 nan 8.250 nan 0.000 0.425 954 V N 1.127 121.228 119.914 0.312 0.000 2.914 954 V HA 0.643 4.763 4.120 0.001 0.000 0.314 954 V C -0.770 175.531 176.094 0.344 0.000 1.084 954 V CA -0.965 61.578 62.300 0.404 0.000 0.963 954 V CB 2.002 34.032 31.823 0.345 0.000 1.025 954 V HN 0.818 nan 8.190 nan 0.000 0.432 955 S N 1.055 116.961 115.700 0.344 0.000 2.548 955 S HA 0.702 5.172 4.470 0.001 0.000 0.276 955 S C -0.842 173.909 174.600 0.253 0.000 1.129 955 S CA -0.612 57.801 58.200 0.355 0.000 0.931 955 S CB 1.994 65.524 63.200 0.550 0.000 1.068 955 S HN 0.569 nan 8.310 nan 0.000 0.480 956 V N 3.894 124.006 119.914 0.331 0.000 2.357 956 V HA 0.410 4.531 4.120 0.001 0.000 0.284 956 V C -1.071 175.301 176.094 0.464 0.000 1.018 956 V CA -0.659 61.843 62.300 0.336 0.000 0.841 956 V CB 0.899 32.942 31.823 0.366 0.000 0.991 956 V HN 0.812 nan 8.190 nan 0.000 0.437 957 H N 3.222 122.383 119.070 0.152 0.000 2.581 957 H HA 0.521 5.077 4.556 0.001 0.000 0.308 957 H C -0.377 175.024 175.328 0.121 0.000 1.040 957 H CA -0.758 55.370 56.048 0.133 0.000 1.231 957 H CB 1.568 31.384 29.762 0.090 0.000 1.396 957 H HN 0.403 nan 8.280 nan 0.000 0.467 958 V N 5.675 125.757 119.914 0.280 0.000 2.350 958 V HA 0.192 4.313 4.120 0.001 0.000 0.276 958 V C 0.525 176.721 176.094 0.170 0.000 1.028 958 V CA -0.697 61.751 62.300 0.246 0.000 0.860 958 V CB 0.802 32.816 31.823 0.318 0.000 0.990 958 V HN 0.557 nan 8.190 nan 0.000 0.453 959 L N 4.230 125.535 121.223 0.137 0.000 2.349 959 L HA 0.569 4.909 4.340 0.001 0.000 0.275 959 L C 1.085 178.010 176.870 0.092 0.000 1.115 959 L CA -0.278 54.625 54.840 0.104 0.000 0.820 959 L CB 1.010 43.116 42.059 0.079 0.000 1.135 959 L HN 0.772 nan 8.230 nan 0.000 0.445 960 A N 3.387 126.255 122.820 0.080 0.000 2.583 960 A HA -0.024 4.297 4.320 0.001 0.000 0.231 960 A C 1.470 179.088 177.584 0.057 0.000 1.065 960 A CA 0.077 52.154 52.037 0.068 0.000 0.760 960 A CB -0.005 19.030 19.000 0.059 0.000 1.001 960 A HN 0.950 nan 8.150 nan 0.000 0.509 961 R N -0.496 120.034 120.500 0.050 0.000 2.244 961 R HA -0.195 4.145 4.340 0.001 0.000 0.252 961 R C 0.678 176.995 176.300 0.028 0.000 1.177 961 R CA 2.053 58.175 56.100 0.036 0.000 1.004 961 R CB 0.067 30.379 30.300 0.019 0.000 0.873 961 R HN 0.794 nan 8.270 nan 0.000 0.469 962 E N -0.972 119.245 120.200 0.028 0.000 2.340 962 E HA 0.114 4.464 4.350 0.001 0.000 0.198 962 E C 0.924 177.534 176.600 0.018 0.000 0.961 962 E CA 0.391 56.802 56.400 0.019 0.000 0.905 962 E CB 0.153 29.863 29.700 0.017 0.000 0.884 962 E HN 0.286 nan 8.360 nan 0.000 0.491 963 M N 0.751 120.366 119.600 0.025 0.000 1.917 963 M HA 0.142 4.622 4.480 0.001 0.000 0.208 963 M C 0.245 176.549 176.300 0.007 0.000 1.215 963 M CA -0.476 54.837 55.300 0.022 0.000 0.944 963 M CB -0.098 32.527 32.600 0.042 0.000 1.225 963 M HN -0.210 nan 8.290 nan 0.000 0.519 980 L N 0.954 122.198 121.223 0.035 0.000 2.286 980 L HA 0.779 5.119 4.340 0.001 0.000 0.265 980 L C 0.640 177.524 176.870 0.024 0.000 1.012 980 L CA -1.191 53.668 54.840 0.032 0.000 0.818 980 L CB 1.572 43.656 42.059 0.042 0.000 1.337 980 L HN 0.703 nan 8.230 nan 0.000 0.438 981 S N -0.297 115.414 115.700 0.018 0.000 2.589 981 S HA 0.138 4.608 4.470 0.001 0.000 0.265 981 S C -0.024 174.578 174.600 0.005 0.000 1.342 981 S CA -0.648 57.557 58.200 0.009 0.000 1.005 981 S CB 0.724 63.928 63.200 0.007 0.000 0.909 981 S HN 0.542 nan 8.310 nan 0.000 0.555 982 Q N 1.206 121.005 119.800 -0.000 0.000 2.286 982 Q HA 0.352 4.693 4.340 0.001 0.000 0.265 982 Q C 0.068 176.063 176.000 -0.009 0.000 1.080 982 Q CA 0.057 55.860 55.803 -0.001 0.000 0.906 982 Q CB 0.829 29.566 28.738 -0.002 0.000 1.227 982 Q HN 0.829 nan 8.270 nan 0.000 0.409 983 A N 6.798 129.613 122.820 -0.009 0.000 2.401 983 A HA 0.477 4.797 4.320 0.001 0.000 0.259 983 A C -1.801 175.776 177.584 -0.012 0.000 1.103 983 A CA -0.960 51.064 52.037 -0.021 0.000 0.789 983 A CB -0.079 18.904 19.000 -0.030 0.000 1.035 983 A HN 0.489 nan 8.150 nan 0.000 0.491 984 P HA 0.417 nan 4.420 nan 0.000 0.277 984 P C -0.416 176.880 177.300 -0.006 0.000 1.276 984 P CA -0.226 62.864 63.100 -0.017 0.000 0.788 984 P CB 0.707 32.389 31.700 -0.032 0.000 1.114 985 A N 0.701 123.521 122.820 -0.000 0.000 2.290 985 A HA 0.594 4.915 4.320 0.001 0.000 0.310 985 A C -0.195 177.400 177.584 0.019 0.000 1.202 985 A CA -0.688 51.361 52.037 0.020 0.000 0.837 985 A CB -0.105 18.909 19.000 0.024 0.000 1.139 985 A HN 0.451 nan 8.150 nan 0.000 0.509 986 L N 3.740 124.997 121.223 0.056 0.000 2.329 986 L HA 0.449 4.790 4.340 0.001 0.000 0.279 986 L C -1.768 175.216 176.870 0.190 0.000 1.014 986 L CA -1.892 52.994 54.840 0.077 0.000 0.814 986 L CB 1.601 43.694 42.059 0.058 0.000 1.257 986 L HN 0.601 nan 8.230 nan 0.000 0.424 987 P HA -0.032 nan 4.420 nan 0.000 0.269 987 P C -0.729 176.742 177.300 0.285 0.000 1.217 987 P CA -0.452 62.783 63.100 0.225 0.000 0.783 987 P CB 0.521 32.346 31.700 0.209 0.000 0.898 988 Q N 2.621 122.494 119.800 0.121 0.000 2.263 988 Q HA 0.107 4.448 4.340 0.001 0.000 0.289 988 Q C -2.075 173.874 176.000 -0.085 0.000 1.061 988 Q CA -0.632 55.180 55.803 0.015 0.000 0.927 988 Q CB -0.267 28.463 28.738 -0.013 0.000 1.154 988 Q HN 0.276 nan 8.270 nan 0.000 0.378 989 P HA 0.195 nan 4.420 nan 0.000 0.287 989 P C -1.069 175.979 177.300 -0.420 0.000 1.270 989 P CA -0.571 62.161 63.100 -0.614 0.000 0.844 989 P CB 1.044 31.847 31.700 -1.495 0.000 1.068 990 E N 0.762 120.716 120.200 -0.411 0.000 2.290 990 E HA 0.181 4.531 4.350 0.001 0.000 0.277 990 E C -0.662 175.851 176.600 -0.144 0.000 1.035 990 E CA -0.438 55.825 56.400 -0.229 0.000 0.873 990 E CB 0.753 30.334 29.700 -0.198 0.000 1.029 990 E HN 0.137 nan 8.360 nan 0.000 0.419 991 V N 7.475 127.335 119.914 -0.090 0.000 2.284 991 V HA 0.141 4.262 4.120 0.001 0.000 0.260 991 V C 0.483 176.581 176.094 0.007 0.000 1.084 991 V CA -0.377 61.868 62.300 -0.093 0.000 0.894 991 V CB -0.077 31.674 31.823 -0.120 0.000 1.119 991 V HN 0.633 nan 8.190 nan 0.000 0.484 992 I N 3.798 124.399 120.570 0.051 0.000 3.015 992 I HA -0.160 4.011 4.170 0.001 0.000 0.309 992 I C 1.267 177.450 176.117 0.110 0.000 1.229 992 I CA 0.632 61.978 61.300 0.077 0.000 1.430 992 I CB 0.146 38.094 38.000 -0.087 0.000 1.347 992 I HN 0.622 nan 8.210 nan 0.000 0.544 993 Q N 4.567 124.430 119.800 0.106 0.000 2.316 993 Q HA 0.205 4.545 4.340 0.001 0.000 0.235 993 Q C -0.193 175.872 176.000 0.108 0.000 0.863 993 Q CA 0.383 56.235 55.803 0.082 0.000 0.939 993 Q CB 0.640 29.411 28.738 0.056 0.000 1.108 993 Q HN 0.704 nan 8.270 nan 0.000 0.522 994 N N -0.165 118.601 118.700 0.111 0.000 2.777 994 N HA 0.062 4.802 4.740 0.001 0.000 0.260 994 N C 0.133 175.673 175.510 0.051 0.000 1.113 994 N CA 0.142 53.240 53.050 0.081 0.000 0.996 994 N CB 0.800 39.328 38.487 0.068 0.000 1.584 994 N HN 0.107 nan 8.380 nan 0.000 0.573 995 M N 0.592 120.173 119.600 -0.033 0.000 2.460 995 M HA -0.009 4.472 4.480 0.001 0.000 0.263 995 M C 1.159 177.488 176.300 0.049 0.000 1.071 995 M CA 1.025 56.292 55.300 -0.054 0.000 1.096 995 M CB -0.624 31.845 32.600 -0.220 0.000 1.408 995 M HN 0.260 nan 8.290 nan 0.000 0.463 996 T N 1.095 115.670 114.554 0.034 0.000 2.770 996 T HA -0.048 4.303 4.350 0.001 0.000 0.258 996 T C 1.694 176.411 174.700 0.028 0.000 1.039 996 T CA 1.307 63.424 62.100 0.028 0.000 1.143 996 T CB -0.068 68.820 68.868 0.033 0.000 0.866 996 T HN 0.474 nan 8.240 nan 0.000 0.428 997 E N 0.471 120.699 120.200 0.047 0.000 2.049 997 E HA -0.175 4.176 4.350 0.001 0.000 0.198 997 E C 1.864 178.490 176.600 0.043 0.000 1.007 997 E CA 1.305 57.730 56.400 0.043 0.000 0.809 997 E CB -0.336 29.401 29.700 0.062 0.000 0.749 997 E HN 0.392 nan 8.360 nan 0.000 0.450 998 F N 1.949 121.856 119.950 -0.072 0.000 2.032 998 F HA -0.322 4.206 4.527 0.001 0.000 0.297 998 F C 2.177 177.889 175.800 -0.146 0.000 1.125 998 F CA 2.069 59.993 58.000 -0.126 0.000 1.202 998 F CB -0.243 38.657 39.000 -0.166 0.000 0.958 998 F HN -0.198 nan 8.300 nan 0.000 0.491 999 K N -0.200 120.036 120.400 -0.273 0.000 2.026 999 K HA -0.168 4.152 4.320 0.001 0.000 0.208 999 K C 2.301 178.743 176.600 -0.264 0.000 1.048 999 K CA 1.728 57.812 56.287 -0.338 0.000 0.929 999 K CB -0.295 32.138 32.500 -0.112 0.000 0.713 999 K HN 0.188 nan 8.250 nan 0.000 0.439 1000 R N -0.399 120.011 120.500 -0.150 0.000 2.103 1000 R HA -0.142 4.198 4.340 0.001 0.000 0.242 1000 R C 2.328 178.545 176.300 -0.138 0.000 1.142 1000 R CA 1.541 57.576 56.100 -0.108 0.000 0.960 1000 R CB -0.593 29.674 30.300 -0.054 0.000 0.858 1000 R HN 0.363 nan 8.270 nan 0.000 0.439 1001 G N 0.834 109.530 108.800 -0.173 0.000 2.535 1001 G HA2 -0.062 3.898 3.960 0.001 0.000 0.218 1001 G HA3 -0.062 3.898 3.960 0.001 0.000 0.218 1001 G C 0.526 175.298 174.900 -0.214 0.000 1.122 1001 G CA 0.672 45.672 45.100 -0.167 0.000 0.769 1001 G HN 0.235 nan 8.290 nan 0.000 0.549 1002 L N -3.515 117.527 121.223 -0.302 0.000 2.403 1002 L HA 0.632 4.972 4.340 0.001 0.000 0.253 1002 L C -2.614 174.116 176.870 -0.232 0.000 1.045 1002 L CA -2.635 52.041 54.840 -0.274 0.000 0.845 1002 L CB 1.216 43.058 42.059 -0.363 0.000 1.447 1002 L HN -0.333 nan 8.230 nan 0.000 0.411 1003 P HA 0.332 nan 4.420 nan 0.000 0.274 1003 P C -1.205 175.980 177.300 -0.192 0.000 1.260 1003 P CA -0.210 62.775 63.100 -0.191 0.000 0.793 1003 P CB 0.934 32.503 31.700 -0.218 0.000 1.048 1004 L N -0.108 121.025 121.223 -0.150 0.000 2.346 1004 L HA 0.425 4.765 4.340 0.001 0.000 0.274 1004 L C 0.552 177.375 176.870 -0.078 0.000 1.007 1004 L CA -1.032 53.768 54.840 -0.068 0.000 0.818 1004 L CB 1.028 43.081 42.059 -0.010 0.000 1.284 1004 L HN 0.231 nan 8.230 nan 0.000 0.424 1005 F N 1.999 121.934 119.950 -0.024 0.000 2.485 1005 F HA 0.215 4.743 4.527 0.001 0.000 0.327 1005 F C -1.550 174.242 175.800 -0.013 0.000 1.203 1005 F CA -0.871 57.120 58.000 -0.017 0.000 1.295 1005 F CB 0.132 39.132 39.000 -0.001 0.000 1.191 1005 F HN 0.254 nan 8.300 nan 0.000 0.588 1006 P HA 0.044 nan 4.420 nan 0.000 0.271 1006 P C -0.882 176.488 177.300 0.117 0.000 1.233 1006 P CA -0.291 62.880 63.100 0.119 0.000 0.789 1006 P CB 0.399 32.160 31.700 0.101 0.000 0.951 1007 L N 0.882 122.137 121.223 0.053 0.000 2.399 1007 L HA 0.197 4.537 4.340 0.001 0.000 0.266 1007 L C 0.297 177.173 176.870 0.009 0.000 1.114 1007 L CA -0.513 54.341 54.840 0.023 0.000 0.804 1007 L CB 0.403 42.456 42.059 -0.009 0.000 1.146 1007 L HN 0.090 nan 8.230 nan 0.000 0.451 1008 V N 2.831 122.738 119.914 -0.011 0.000 2.811 1008 V HA 0.074 4.195 4.120 0.001 0.000 0.302 1008 V C 0.802 176.883 176.094 -0.022 0.000 1.063 1008 V CA -0.605 61.682 62.300 -0.021 0.000 1.088 1008 V CB 0.562 32.359 31.823 -0.043 0.000 0.982 1008 V HN 0.595 nan 8.190 nan 0.000 0.485 1009 K N 4.334 124.724 120.400 -0.017 0.000 2.326 1009 K HA 0.266 4.586 4.320 0.001 0.000 0.275 1009 K C -2.207 174.395 176.600 0.002 0.000 1.018 1009 K CA -1.140 55.139 56.287 -0.013 0.000 0.962 1009 K CB 0.738 33.223 32.500 -0.025 0.000 0.953 1009 K HN 0.454 nan 8.250 nan 0.000 0.475 1010 P HA 0.035 nan 4.420 nan 0.000 0.274 1010 P C -0.259 177.093 177.300 0.086 0.000 1.256 1010 P CA -0.221 62.957 63.100 0.129 0.000 0.795 1010 P CB 0.496 32.315 31.700 0.198 0.000 1.038 1011 H N 0.000 119.088 119.070 0.031 0.000 2.539 1011 H HA 0.000 4.556 4.556 0.001 0.000 0.296 1011 H CA 0.000 56.036 56.048 -0.021 0.000 1.023 1011 H CB 0.000 29.720 29.762 -0.069 0.000 1.292 1011 H HN 0.000 nan 8.280 nan 0.000 0.496