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 1a9x_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVINVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRAXXXX XXXAMEIVYD EADLRRYFQT AXXXXXXXXV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.280 176.300 -0.033 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 P HA 0.279 nan 4.420 nan 0.000 0.302 2 P C -1.232 175.766 177.300 -0.503 0.000 1.307 2 P CA -0.316 62.641 63.100 -0.239 0.000 0.754 2 P CB -0.051 31.603 31.700 -0.078 0.000 1.298 3 K N 0.248 120.199 120.400 -0.749 0.000 2.484 3 K HA 0.058 4.379 4.320 0.002 0.000 0.280 3 K C 0.072 176.581 176.600 -0.152 0.000 1.013 3 K CA -0.004 55.980 56.287 -0.506 0.000 1.029 3 K CB 0.173 32.522 32.500 -0.251 0.000 0.902 3 K HN 0.200 nan 8.250 nan 0.000 0.481 4 R N 2.107 122.572 120.500 -0.058 0.000 2.585 4 R HA -0.044 4.297 4.340 0.002 0.000 0.275 4 R C 0.630 176.974 176.300 0.073 0.000 1.018 4 R CA 0.301 56.408 56.100 0.012 0.000 1.072 4 R CB 0.528 30.841 30.300 0.023 0.000 0.953 4 R HN 0.765 nan 8.270 nan 0.000 0.419 5 T N 0.515 115.089 114.554 0.033 0.000 3.023 5 T HA -0.063 4.288 4.350 0.002 0.000 0.249 5 T C 0.670 175.395 174.700 0.042 0.000 1.050 5 T CA 0.555 62.671 62.100 0.026 0.000 1.088 5 T CB 0.101 68.970 68.868 0.001 0.000 0.946 5 T HN 0.692 nan 8.240 nan 0.000 0.480 6 D N 0.810 121.236 120.400 0.043 0.000 2.332 6 D HA 0.076 4.717 4.640 0.002 0.000 0.244 6 D C 0.229 176.568 176.300 0.065 0.000 1.136 6 D CA 0.117 54.142 54.000 0.042 0.000 0.884 6 D CB -0.281 40.536 40.800 0.027 0.000 0.906 6 D HN 0.375 nan 8.370 nan 0.000 0.520 7 I N -0.297 120.339 120.570 0.111 0.000 2.569 7 I HA 0.209 4.380 4.170 0.002 0.000 0.290 7 I C 0.435 176.694 176.117 0.236 0.000 1.088 7 I CA -0.705 60.683 61.300 0.147 0.000 1.047 7 I CB 2.373 40.454 38.000 0.135 0.000 1.237 7 I HN -0.318 nan 8.210 nan 0.000 0.421 8 K N 2.171 122.680 120.400 0.182 0.000 2.403 8 K HA 0.177 4.498 4.320 0.002 0.000 0.199 8 K C 0.091 176.828 176.600 0.228 0.000 1.199 8 K CA 0.207 56.597 56.287 0.171 0.000 0.924 8 K CB 0.738 33.278 32.500 0.065 0.000 1.137 8 K HN 0.597 nan 8.250 nan 0.000 0.510 9 S N 0.459 116.258 115.700 0.166 0.000 2.500 9 S HA 0.701 5.172 4.470 0.002 0.000 0.301 9 S C -0.640 174.011 174.600 0.086 0.000 1.092 9 S CA -0.876 57.399 58.200 0.124 0.000 1.030 9 S CB 1.301 64.546 63.200 0.075 0.000 1.031 9 S HN 0.034 nan 8.310 nan 0.000 0.483 10 I N 2.800 123.407 120.570 0.063 0.000 2.498 10 I HA 0.442 4.613 4.170 0.002 0.000 0.290 10 I C -1.000 175.123 176.117 0.010 0.000 1.032 10 I CA -0.743 60.563 61.300 0.009 0.000 1.073 10 I CB 2.018 39.990 38.000 -0.046 0.000 1.251 10 I HN 0.699 nan 8.210 nan 0.000 0.426 11 L N 7.815 129.035 121.223 -0.005 0.000 2.275 11 L HA 0.635 4.976 4.340 0.002 0.000 0.288 11 L C -0.932 175.932 176.870 -0.010 0.000 1.046 11 L CA 0.170 55.003 54.840 -0.011 0.000 0.805 11 L CB 0.615 42.654 42.059 -0.034 0.000 1.193 11 L HN 0.441 nan 8.230 nan 0.000 0.426 12 I N 6.060 126.630 120.570 -0.001 0.000 2.378 12 I HA 0.312 4.483 4.170 0.002 0.000 0.291 12 I C -0.643 175.474 176.117 -0.001 0.000 0.992 12 I CA -0.596 60.704 61.300 -0.001 0.000 1.154 12 I CB 1.550 39.554 38.000 0.007 0.000 1.315 12 I HN 0.499 nan 8.210 nan 0.000 0.448 13 L N 6.055 127.271 121.223 -0.010 0.000 2.281 13 L HA 0.468 4.809 4.340 0.002 0.000 0.285 13 L C 0.941 177.801 176.870 -0.016 0.000 1.074 13 L CA -0.367 54.464 54.840 -0.016 0.000 0.817 13 L CB 0.737 42.780 42.059 -0.026 0.000 1.168 13 L HN 0.663 nan 8.230 nan 0.000 0.434 14 G N 1.561 110.358 108.800 -0.005 0.000 2.616 14 G HA2 0.393 4.354 3.960 0.002 0.000 0.268 14 G HA3 0.393 4.354 3.960 0.002 0.000 0.268 14 G C 0.733 175.614 174.900 -0.032 0.000 1.213 14 G CA 0.112 45.214 45.100 0.004 0.000 0.926 14 G HN 0.783 nan 8.290 nan 0.000 0.523 15 A N -1.069 121.738 122.820 -0.021 0.000 2.132 15 A HA 0.560 4.881 4.320 0.002 0.000 0.213 15 A C 1.572 179.136 177.584 -0.034 0.000 1.154 15 A CA 1.491 53.480 52.037 -0.079 0.000 0.753 15 A CB -0.821 18.108 19.000 -0.118 0.000 0.826 15 A HN 2.528 nan 8.150 nan 0.000 0.469 16 G N -0.689 108.110 108.800 -0.002 0.000 2.587 16 G HA2 -0.089 3.871 3.960 0.002 0.000 0.212 16 G HA3 -0.089 3.871 3.960 0.002 0.000 0.212 16 G C -2.991 171.911 174.900 0.003 0.000 1.327 16 G CA -0.417 44.679 45.100 -0.006 0.000 0.898 16 G HN 0.344 nan 8.290 nan 0.000 0.551 17 P HA 0.405 nan 4.420 nan 0.000 0.272 17 P C 0.179 177.478 177.300 -0.001 0.000 1.223 17 P CA -0.254 62.835 63.100 -0.018 0.000 0.784 17 P CB 0.414 32.092 31.700 -0.037 0.000 0.923 18 I N 2.363 122.932 120.570 -0.002 0.000 2.556 18 I HA 0.116 4.287 4.170 0.002 0.000 0.284 18 I C 0.891 177.000 176.117 -0.014 0.000 1.114 18 I CA -0.137 61.169 61.300 0.010 0.000 1.418 18 I CB 0.090 38.091 38.000 0.002 0.000 1.394 18 I HN 0.195 nan 8.210 nan 0.000 0.552 19 V N 4.771 124.679 119.914 -0.010 0.000 3.159 19 V HA 0.563 4.684 4.120 0.002 0.000 0.308 19 V C -0.035 176.030 176.094 -0.049 0.000 1.190 19 V CA -1.203 61.072 62.300 -0.042 0.000 1.037 19 V CB 2.022 33.815 31.823 -0.051 0.000 1.060 19 V HN 0.440 nan 8.190 nan 0.000 0.437 20 I N 2.551 123.066 120.570 -0.090 0.000 2.741 20 I HA 0.396 4.567 4.170 0.002 0.000 0.288 20 I C 1.535 177.590 176.117 -0.103 0.000 1.192 20 I CA 2.005 63.237 61.300 -0.113 0.000 1.426 20 I CB 0.397 38.288 38.000 -0.181 0.000 1.367 20 I HN 1.280 nan 8.210 nan 0.000 0.563 21 G N 4.872 113.624 108.800 -0.081 0.000 2.234 21 G HA2 -0.266 3.695 3.960 0.002 0.000 0.235 21 G HA3 -0.266 3.695 3.960 0.002 0.000 0.235 21 G C 0.232 175.160 174.900 0.046 0.000 0.997 21 G CA 0.053 45.115 45.100 -0.064 0.000 0.623 21 G HN 0.608 nan 8.290 nan 0.000 0.514 22 Q N -0.037 119.813 119.800 0.083 0.000 3.258 22 Q HA 0.661 5.002 4.340 0.002 0.000 0.214 22 Q C -0.053 176.076 176.000 0.216 0.000 0.873 22 Q CA 0.427 56.380 55.803 0.249 0.000 0.752 22 Q CB 0.715 29.535 28.738 0.138 0.000 1.396 22 Q HN 0.980 nan 8.270 nan 0.000 0.463 23 A N 0.367 123.284 122.820 0.161 0.000 3.540 23 A HA 0.428 4.749 4.320 0.002 0.000 0.180 23 A C 1.059 178.664 177.584 0.035 0.000 1.231 23 A CA -0.143 51.936 52.037 0.070 0.000 0.873 23 A CB -0.275 18.723 19.000 -0.004 0.000 1.548 23 A HN 0.815 nan 8.150 nan 0.000 0.570 24 C N 1.320 120.615 119.300 -0.008 0.000 2.397 24 C HA -0.134 4.327 4.460 0.002 0.000 0.286 24 C C 2.455 177.415 174.990 -0.050 0.000 1.308 24 C CA 1.239 60.254 59.018 -0.004 0.000 1.805 24 C CB -1.530 26.208 27.740 -0.003 0.000 1.952 24 C HN 0.855 nan 8.230 nan 0.000 0.518 25 E N 1.251 121.317 120.200 -0.222 0.000 2.267 25 E HA -0.202 4.149 4.350 0.002 0.000 0.197 25 E C 1.401 177.772 176.600 -0.382 0.000 0.998 25 E CA 1.502 57.700 56.400 -0.337 0.000 0.830 25 E CB -0.650 28.721 29.700 -0.548 0.000 0.751 25 E HN 0.646 nan 8.360 nan 0.000 0.491 26 F N 1.570 121.578 119.950 0.095 0.000 2.512 26 F HA 0.077 4.604 4.527 0.001 0.000 0.296 26 F C 2.060 177.899 175.800 0.065 0.000 1.110 26 F CA 0.779 58.820 58.000 0.069 0.000 1.446 26 F CB -0.303 38.721 39.000 0.039 0.000 1.092 26 F HN 0.030 nan 8.300 nan 0.000 0.554 27 D N -0.717 119.793 120.400 0.183 0.000 2.149 27 D HA -0.228 4.412 4.640 0.002 0.000 0.201 27 D C 2.143 178.525 176.300 0.136 0.000 0.972 27 D CA 0.979 55.065 54.000 0.144 0.000 0.835 27 D CB -0.276 40.598 40.800 0.123 0.000 0.966 27 D HN 0.318 nan 8.370 nan 0.000 0.476 28 Y N 0.771 121.078 120.300 0.011 0.000 2.163 28 Y HA -0.125 4.425 4.550 0.001 0.000 0.288 28 Y C 2.279 178.187 175.900 0.014 0.000 1.136 28 Y CA 2.024 60.120 58.100 -0.006 0.000 1.147 28 Y CB -0.489 37.951 38.460 -0.034 0.000 0.987 28 Y HN -0.092 nan 8.280 nan 0.000 0.509 29 S N 0.382 116.007 115.700 -0.125 0.000 2.345 29 S HA -0.114 4.357 4.470 0.002 0.000 0.220 29 S C 2.264 176.819 174.600 -0.075 0.000 1.031 29 S CA 1.183 59.289 58.200 -0.156 0.000 0.996 29 S CB -1.249 61.998 63.200 0.078 0.000 0.882 29 S HN 0.729 nan 8.310 nan 0.000 0.445 30 G N 1.615 110.436 108.800 0.034 0.000 2.446 30 G HA2 -0.132 3.829 3.960 0.002 0.000 0.217 30 G HA3 -0.132 3.829 3.960 0.002 0.000 0.217 30 G C 1.587 176.483 174.900 -0.007 0.000 1.168 30 G CA 1.051 46.172 45.100 0.035 0.000 0.771 30 G HN 0.587 nan 8.290 nan 0.000 0.551 31 A N 0.162 122.970 122.820 -0.021 0.000 1.902 31 A HA -0.102 4.219 4.320 0.002 0.000 0.217 31 A C 2.340 179.873 177.584 -0.085 0.000 1.181 31 A CA 1.958 53.975 52.037 -0.033 0.000 0.623 31 A CB -0.457 18.537 19.000 -0.011 0.000 0.818 31 A HN 0.457 nan 8.150 nan 0.000 0.443 32 Q N -0.860 118.831 119.800 -0.183 0.000 2.084 32 Q HA -0.143 4.197 4.340 0.002 0.000 0.202 32 Q C 2.459 178.396 176.000 -0.106 0.000 0.978 32 Q CA 1.380 57.063 55.803 -0.200 0.000 0.844 32 Q CB -0.355 28.168 28.738 -0.358 0.000 0.898 32 Q HN 0.701 nan 8.270 nan 0.000 0.426 33 A N 0.288 123.061 122.820 -0.079 0.000 1.898 33 A HA -0.182 4.139 4.320 0.002 0.000 0.216 33 A C 2.373 179.948 177.584 -0.014 0.000 1.181 33 A CA 1.281 53.296 52.037 -0.036 0.000 0.620 33 A CB -0.870 18.117 19.000 -0.021 0.000 0.819 33 A HN 0.488 nan 8.150 nan 0.000 0.442 34 C N -0.681 118.614 119.300 -0.008 0.000 2.432 34 C HA -0.087 4.374 4.460 0.002 0.000 0.277 34 C C 2.661 177.661 174.990 0.016 0.000 1.249 34 C CA 1.337 60.363 59.018 0.013 0.000 1.725 34 C CB -1.091 26.660 27.740 0.019 0.000 2.028 34 C HN 0.750 nan 8.230 nan 0.000 0.477 35 K N 1.320 121.717 120.400 -0.005 0.000 2.020 35 K HA -0.210 4.111 4.320 0.002 0.000 0.212 35 K C 2.125 178.731 176.600 0.009 0.000 1.050 35 K CA 1.990 58.274 56.287 -0.006 0.000 0.929 35 K CB -0.380 32.099 32.500 -0.034 0.000 0.714 35 K HN 0.410 nan 8.250 nan 0.000 0.443 36 A N 0.844 123.665 122.820 0.002 0.000 1.902 36 A HA -0.097 4.224 4.320 0.002 0.000 0.217 36 A C 2.141 179.768 177.584 0.072 0.000 1.181 36 A CA 1.346 53.395 52.037 0.019 0.000 0.623 36 A CB -0.525 18.476 19.000 0.002 0.000 0.818 36 A HN 0.340 nan 8.150 nan 0.000 0.443 37 L N -1.452 119.815 121.223 0.073 0.000 2.072 37 L HA -0.085 4.256 4.340 0.002 0.000 0.205 37 L C 2.791 179.786 176.870 0.208 0.000 1.079 37 L CA 1.319 56.244 54.840 0.142 0.000 0.752 37 L CB -0.490 41.602 42.059 0.054 0.000 0.906 37 L HN 0.413 nan 8.230 nan 0.000 0.436 38 R N 0.626 121.198 120.500 0.122 0.000 2.091 38 R HA -0.205 4.136 4.340 0.002 0.000 0.238 38 R C 2.082 178.435 176.300 0.089 0.000 1.136 38 R CA 1.719 57.879 56.100 0.099 0.000 0.959 38 R CB -0.082 30.253 30.300 0.059 0.000 0.856 38 R HN 0.411 nan 8.270 nan 0.000 0.437 39 E N -0.140 120.107 120.200 0.079 0.000 2.110 39 E HA -0.165 4.186 4.350 0.002 0.000 0.193 39 E C 1.568 178.219 176.600 0.086 0.000 0.988 39 E CA 0.935 57.371 56.400 0.061 0.000 0.804 39 E CB 0.110 29.835 29.700 0.042 0.000 0.745 39 E HN 0.303 nan 8.360 nan 0.000 0.458 40 E N -0.756 119.540 120.200 0.161 0.000 2.511 40 E HA -0.036 4.315 4.350 0.002 0.000 0.196 40 E C 1.217 177.864 176.600 0.079 0.000 1.066 40 E CA 0.738 57.276 56.400 0.231 0.000 0.871 40 E CB 0.625 30.605 29.700 0.465 0.000 0.863 40 E HN 0.426 nan 8.360 nan 0.000 0.520 41 G N 0.530 109.350 108.800 0.033 0.000 2.175 41 G HA2 -0.283 3.678 3.960 0.002 0.000 0.244 41 G HA3 -0.283 3.678 3.960 0.002 0.000 0.244 41 G C 0.022 174.814 174.900 -0.181 0.000 0.982 41 G CA 0.046 45.083 45.100 -0.104 0.000 0.641 41 G HN 0.227 nan 8.290 nan 0.000 0.527 42 Y N 0.413 120.735 120.300 0.037 0.000 2.357 42 Y HA 0.504 5.055 4.550 0.002 0.000 0.340 42 Y C 1.271 177.186 175.900 0.025 0.000 1.260 42 Y CA -0.118 58.000 58.100 0.030 0.000 1.425 42 Y CB 0.494 38.974 38.460 0.034 0.000 1.326 42 Y HN 0.192 nan 8.280 nan 0.000 0.580 43 R N 1.607 122.216 120.500 0.182 0.000 2.221 43 R HA 0.505 4.846 4.340 0.002 0.000 0.327 43 R C -1.810 174.562 176.300 0.120 0.000 1.033 43 R CA -0.371 55.795 56.100 0.110 0.000 0.887 43 R CB 0.344 30.691 30.300 0.079 0.000 1.057 43 R HN 0.542 nan 8.270 nan 0.000 0.455 44 V N 6.963 126.933 119.914 0.094 0.000 2.435 44 V HA 0.431 4.552 4.120 0.002 0.000 0.290 44 V C 0.130 176.265 176.094 0.069 0.000 1.030 44 V CA -0.645 61.701 62.300 0.078 0.000 0.881 44 V CB 1.542 33.407 31.823 0.070 0.000 0.983 44 V HN 0.693 nan 8.190 nan 0.000 0.445 45 I N 5.671 126.280 120.570 0.065 0.000 2.509 45 I HA 0.564 4.735 4.170 0.002 0.000 0.293 45 I C -0.310 175.852 176.117 0.075 0.000 1.020 45 I CA -0.314 61.038 61.300 0.086 0.000 1.088 45 I CB 1.987 40.028 38.000 0.068 0.000 1.267 45 I HN 0.851 nan 8.210 nan 0.000 0.430 46 N N 5.004 123.773 118.700 0.114 0.000 2.396 46 N HA 0.553 5.294 4.740 0.002 0.000 0.275 46 N C -2.071 173.511 175.510 0.121 0.000 1.218 46 N CA -0.602 52.497 53.050 0.081 0.000 0.812 46 N CB 2.913 41.433 38.487 0.054 0.000 1.592 46 N HN 0.384 nan 8.380 nan 0.000 0.480 47 V N 1.093 121.047 119.914 0.067 0.000 2.540 47 V HA 0.618 4.739 4.120 0.002 0.000 0.302 47 V C -1.417 174.704 176.094 0.045 0.000 1.035 47 V CA -0.438 61.906 62.300 0.075 0.000 0.873 47 V CB 1.411 33.245 31.823 0.019 0.000 0.992 47 V HN 0.923 nan 8.190 nan 0.000 0.428 48 N N 3.199 121.928 118.700 0.048 0.000 2.578 48 N HA 0.235 4.976 4.740 0.002 0.000 0.282 48 N C 0.430 175.953 175.510 0.021 0.000 1.119 48 N CA 0.273 53.341 53.050 0.030 0.000 0.948 48 N CB 2.381 40.890 38.487 0.037 0.000 1.546 48 N HN 0.708 nan 8.380 nan 0.000 0.525 49 S N 1.540 117.245 115.700 0.008 0.000 2.515 49 S HA -0.030 4.441 4.470 0.002 0.000 0.231 49 S C 0.699 175.296 174.600 -0.005 0.000 0.987 49 S CA 0.115 58.314 58.200 -0.002 0.000 0.936 49 S CB -0.240 62.950 63.200 -0.017 0.000 0.766 49 S HN 0.570 nan 8.310 nan 0.000 0.528 50 N N 3.179 121.878 118.700 -0.002 0.000 2.406 50 N HA 0.261 5.002 4.740 0.002 0.000 0.251 50 N C -1.660 173.841 175.510 -0.014 0.000 1.069 50 N CA -2.417 50.626 53.050 -0.013 0.000 0.947 50 N CB 1.437 39.920 38.487 -0.006 0.000 1.111 50 N HN 0.023 nan 8.380 nan 0.000 0.497 51 P HA -0.005 nan 4.420 nan 0.000 0.229 51 P C 0.334 177.536 177.300 -0.164 0.000 1.160 51 P CA 0.514 63.593 63.100 -0.034 0.000 0.777 51 P CB 0.141 31.873 31.700 0.053 0.000 0.814 52 A N 0.349 123.054 122.820 -0.191 0.000 2.281 52 A HA 0.193 4.514 4.320 0.002 0.000 0.231 52 A C 0.756 178.228 177.584 -0.187 0.000 1.317 52 A CA 0.327 52.151 52.037 -0.355 0.000 0.959 52 A CB -1.429 17.416 19.000 -0.259 0.000 0.900 52 A HN 0.345 nan 8.150 nan 0.000 0.497 53 T N -3.733 110.800 114.554 -0.035 0.000 2.856 53 T HA 0.541 4.892 4.350 0.002 0.000 0.283 53 T C 0.853 175.738 174.700 0.308 0.000 1.008 53 T CA -0.714 61.480 62.100 0.155 0.000 0.997 53 T CB 1.009 69.933 68.868 0.093 0.000 0.992 53 T HN -0.029 nan 8.240 nan 0.000 0.454 54 I N 2.396 123.134 120.570 0.279 0.000 2.493 54 I HA -0.114 4.057 4.170 0.002 0.000 0.254 54 I C 2.458 178.661 176.117 0.144 0.000 1.160 54 I CA 1.429 62.840 61.300 0.185 0.000 1.445 54 I CB -0.859 37.183 38.000 0.070 0.000 1.086 54 I HN 0.860 nan 8.210 nan 0.000 0.433 55 M N 0.594 120.265 119.600 0.119 0.000 2.374 55 M HA -0.109 4.372 4.480 0.002 0.000 0.264 55 M C 1.564 177.912 176.300 0.080 0.000 1.067 55 M CA 1.977 57.327 55.300 0.083 0.000 1.103 55 M CB -0.803 31.836 32.600 0.065 0.000 1.402 55 M HN 0.228 nan 8.290 nan 0.000 0.444 56 T N -2.318 112.295 114.554 0.099 0.000 3.163 56 T HA 0.193 4.544 4.350 0.002 0.000 0.252 56 T C -0.184 174.569 174.700 0.090 0.000 1.056 56 T CA -0.558 61.585 62.100 0.070 0.000 0.947 56 T CB -0.448 68.448 68.868 0.047 0.000 1.016 56 T HN 0.233 nan 8.240 nan 0.000 0.554 57 D N 3.557 124.038 120.400 0.135 0.000 2.350 57 D HA 0.214 4.855 4.640 0.002 0.000 0.249 57 D C -1.269 175.076 176.300 0.076 0.000 1.119 57 D CA -2.227 51.865 54.000 0.155 0.000 0.886 57 D CB 1.858 42.776 40.800 0.197 0.000 1.195 57 D HN 0.064 nan 8.370 nan 0.000 0.437 58 P HA -0.204 nan 4.420 nan 0.000 0.216 58 P C 0.963 178.275 177.300 0.021 0.000 1.154 58 P CA 1.318 64.425 63.100 0.010 0.000 0.865 58 P CB 0.139 31.853 31.700 0.023 0.000 0.789 59 E N -1.061 119.160 120.200 0.035 0.000 2.511 59 E HA -0.053 4.298 4.350 0.002 0.000 0.196 59 E C 1.312 177.924 176.600 0.020 0.000 1.066 59 E CA 0.541 56.954 56.400 0.021 0.000 0.871 59 E CB -0.491 29.216 29.700 0.012 0.000 0.863 59 E HN 0.192 nan 8.360 nan 0.000 0.520 60 M N 0.620 120.237 119.600 0.028 0.000 2.509 60 M HA 0.314 4.795 4.480 0.002 0.000 0.250 60 M C 0.865 177.182 176.300 0.027 0.000 1.132 60 M CA 0.242 55.559 55.300 0.028 0.000 1.080 60 M CB 0.278 32.901 32.600 0.038 0.000 1.408 60 M HN 0.193 nan 8.290 nan 0.000 0.484 61 A N -0.489 122.345 122.820 0.023 0.000 2.588 61 A HA 0.497 4.818 4.320 0.002 0.000 0.290 61 A C -0.105 177.490 177.584 0.019 0.000 1.136 61 A CA -0.616 51.437 52.037 0.027 0.000 0.681 61 A CB 0.662 19.683 19.000 0.034 0.000 1.282 61 A HN 0.158 nan 8.150 nan 0.000 0.421 62 D N 0.076 120.493 120.400 0.028 0.000 2.183 62 D HA 0.257 4.898 4.640 0.002 0.000 0.205 62 D C 0.715 177.020 176.300 0.007 0.000 0.962 62 D CA 1.839 55.852 54.000 0.022 0.000 0.849 62 D CB 0.244 41.066 40.800 0.036 0.000 0.978 62 D HN 0.768 nan 8.370 nan 0.000 0.488 63 A N 0.877 123.712 122.820 0.025 0.000 2.569 63 A HA 0.465 4.786 4.320 0.002 0.000 0.282 63 A C -0.640 176.962 177.584 0.031 0.000 1.165 63 A CA -0.546 51.500 52.037 0.015 0.000 0.747 63 A CB 1.139 20.234 19.000 0.158 0.000 1.215 63 A HN -0.145 nan 8.150 nan 0.000 0.431 64 T N 2.430 116.907 114.554 -0.128 0.000 2.767 64 T HA 0.527 4.878 4.350 0.002 0.000 0.284 64 T C -1.151 173.396 174.700 -0.255 0.000 0.973 64 T CA 0.244 62.292 62.100 -0.087 0.000 0.996 64 T CB 0.226 69.036 68.868 -0.097 0.000 0.927 64 T HN 0.383 nan 8.240 nan 0.000 0.456 65 Y N 2.507 122.772 120.300 -0.059 0.000 2.388 65 Y HA 0.452 5.003 4.550 0.001 0.000 0.328 65 Y C 0.379 176.242 175.900 -0.061 0.000 0.963 65 Y CA -1.098 56.960 58.100 -0.069 0.000 1.240 65 Y CB 0.648 39.069 38.460 -0.065 0.000 1.118 65 Y HN 0.557 nan 8.280 nan 0.000 0.484 66 I N 5.053 125.622 120.570 -0.001 0.000 2.224 66 I HA 0.200 4.371 4.170 0.002 0.000 0.293 66 I C -0.280 175.845 176.117 0.013 0.000 1.155 66 I CA 0.112 61.412 61.300 -0.000 0.000 1.297 66 I CB -0.157 37.821 38.000 -0.036 0.000 1.487 66 I HN 0.518 nan 8.210 nan 0.000 0.564 67 E N 5.794 126.019 120.200 0.042 0.000 2.393 67 E HA 0.451 4.802 4.350 0.002 0.000 0.273 67 E C -2.606 173.993 176.600 -0.002 0.000 0.918 67 E CA -2.147 54.265 56.400 0.020 0.000 0.773 67 E CB 1.837 31.569 29.700 0.053 0.000 1.275 67 E HN 0.004 nan 8.360 nan 0.000 0.451 68 P HA 0.066 nan 4.420 nan 0.000 0.262 68 P C 0.171 177.475 177.300 0.007 0.000 1.182 68 P CA 0.454 63.541 63.100 -0.022 0.000 0.761 68 P CB 0.126 31.799 31.700 -0.045 0.000 0.795 69 I N 3.376 123.953 120.570 0.011 0.000 2.397 69 I HA 0.040 4.211 4.170 0.002 0.000 0.291 69 I C 1.100 177.237 176.117 0.033 0.000 1.125 69 I CA 0.191 61.499 61.300 0.012 0.000 1.961 69 I CB -1.021 36.974 38.000 -0.007 0.000 1.508 69 I HN 0.388 nan 8.210 nan 0.000 0.886 70 H N 4.863 123.902 119.070 -0.053 0.000 2.469 70 H HA 0.063 4.620 4.556 0.001 0.000 0.342 70 H C 0.605 175.884 175.328 -0.081 0.000 1.115 70 H CA -0.788 55.218 56.048 -0.070 0.000 1.204 70 H CB 1.554 31.225 29.762 -0.151 0.000 1.492 70 H HN 0.556 nan 8.280 nan 0.000 0.499 71 W N 4.873 125.985 121.300 -0.314 0.000 2.342 71 W HA -0.127 4.534 4.660 0.001 0.000 0.297 71 W C 0.607 177.165 176.519 0.066 0.000 1.213 71 W CA 0.961 58.245 57.345 -0.102 0.000 1.251 71 W CB -0.418 28.952 29.460 -0.151 0.000 1.136 71 W HN 0.637 nan 8.180 nan 0.000 0.526 72 E N 0.930 120.658 120.200 -0.787 0.000 2.072 72 E HA -0.157 4.194 4.350 0.002 0.000 0.191 72 E C 2.426 178.851 176.600 -0.293 0.000 0.985 72 E CA 1.778 57.709 56.400 -0.781 0.000 0.801 72 E CB -0.270 28.927 29.700 -0.838 0.000 0.750 72 E HN 0.124 nan 8.360 nan 0.000 0.452 73 V N 0.984 120.807 119.914 -0.151 0.000 2.358 73 V HA -0.199 3.922 4.120 0.002 0.000 0.246 73 V C 2.336 178.353 176.094 -0.127 0.000 1.047 73 V CA 1.206 63.428 62.300 -0.131 0.000 1.035 73 V CB -0.264 31.508 31.823 -0.085 0.000 0.658 73 V HN 0.123 nan 8.190 nan 0.000 0.452 74 V N 0.059 119.926 119.914 -0.079 0.000 2.490 74 V HA -0.249 3.872 4.120 0.002 0.000 0.250 74 V C 2.535 178.563 176.094 -0.110 0.000 1.061 74 V CA 2.128 64.373 62.300 -0.093 0.000 1.064 74 V CB -0.890 30.921 31.823 -0.019 0.000 0.670 74 V HN 0.484 nan 8.190 nan 0.000 0.461 75 R N 0.367 120.839 120.500 -0.047 0.000 2.091 75 R HA -0.185 4.156 4.340 0.002 0.000 0.238 75 R C 2.357 178.550 176.300 -0.179 0.000 1.136 75 R CA 1.416 57.500 56.100 -0.027 0.000 0.959 75 R CB -0.106 30.255 30.300 0.100 0.000 0.856 75 R HN 0.331 nan 8.270 nan 0.000 0.437 76 K N 0.374 120.668 120.400 -0.176 0.000 2.209 76 K HA -0.100 4.221 4.320 0.002 0.000 0.204 76 K C 2.006 178.433 176.600 -0.288 0.000 1.048 76 K CA 1.024 57.190 56.287 -0.201 0.000 0.940 76 K CB -0.118 32.289 32.500 -0.154 0.000 0.729 76 K HN 0.367 nan 8.250 nan 0.000 0.451 77 I N 0.373 120.729 120.570 -0.358 0.000 2.333 77 I HA -0.187 3.984 4.170 0.002 0.000 0.246 77 I C 2.184 178.052 176.117 -0.416 0.000 1.106 77 I CA 0.687 61.673 61.300 -0.523 0.000 1.411 77 I CB -0.170 37.398 38.000 -0.722 0.000 1.082 77 I HN -0.015 nan 8.210 nan 0.000 0.420 78 I N 0.911 121.248 120.570 -0.389 0.000 2.179 78 I HA -0.329 3.842 4.170 0.002 0.000 0.242 78 I C 2.666 178.412 176.117 -0.617 0.000 1.088 78 I CA 1.707 62.753 61.300 -0.424 0.000 1.357 78 I CB -0.391 37.375 38.000 -0.390 0.000 1.051 78 I HN 0.298 nan 8.210 nan 0.000 0.409 79 E N 1.573 121.247 120.200 -0.877 0.000 2.058 79 E HA -0.327 4.024 4.350 0.002 0.000 0.194 79 E C 2.246 178.646 176.600 -0.334 0.000 0.997 79 E CA 1.750 57.633 56.400 -0.862 0.000 0.801 79 E CB -0.090 29.297 29.700 -0.522 0.000 0.746 79 E HN 0.354 nan 8.360 nan 0.000 0.450 80 K N -0.148 120.096 120.400 -0.262 0.000 2.025 80 K HA -0.132 4.188 4.320 0.002 0.000 0.207 80 K C 1.822 178.368 176.600 -0.091 0.000 1.049 80 K CA 1.542 57.751 56.287 -0.131 0.000 0.933 80 K CB 0.138 32.576 32.500 -0.104 0.000 0.714 80 K HN 0.113 nan 8.250 nan 0.000 0.438 81 E N 0.357 120.482 120.200 -0.124 0.000 2.452 81 E HA 0.015 4.366 4.350 0.002 0.000 0.197 81 E C -0.302 176.268 176.600 -0.049 0.000 1.022 81 E CA -0.015 56.354 56.400 -0.052 0.000 0.890 81 E CB 0.427 30.106 29.700 -0.035 0.000 0.918 81 E HN 0.141 nan 8.360 nan 0.000 0.496 82 R N 1.137 121.577 120.500 -0.099 0.000 2.974 82 R HA -0.122 4.219 4.340 0.002 0.000 0.258 82 R C -2.502 173.792 176.300 -0.011 0.000 0.892 82 R CA 0.242 56.313 56.100 -0.048 0.000 0.664 82 R CB -2.233 28.077 30.300 0.016 0.000 1.478 82 R HN 0.235 nan 8.270 nan 0.000 0.498 83 P HA 0.186 nan 4.420 nan 0.000 0.278 83 P C 0.300 177.616 177.300 0.027 0.000 1.238 83 P CA -0.401 62.701 63.100 0.004 0.000 0.794 83 P CB 0.806 32.498 31.700 -0.014 0.000 0.955 84 D N 0.296 120.720 120.400 0.040 0.000 2.234 84 D HA 0.092 4.733 4.640 0.002 0.000 0.205 84 D C 0.725 177.046 176.300 0.034 0.000 0.962 84 D CA 1.139 55.166 54.000 0.046 0.000 0.855 84 D CB 0.386 41.219 40.800 0.055 0.000 0.951 84 D HN 0.455 nan 8.370 nan 0.000 0.500 85 A N -0.149 122.683 122.820 0.021 0.000 2.566 85 A HA 0.596 4.917 4.320 0.002 0.000 0.292 85 A C -1.434 176.146 177.584 -0.006 0.000 1.112 85 A CA -0.588 51.452 52.037 0.004 0.000 0.707 85 A CB 2.369 21.361 19.000 -0.013 0.000 1.302 85 A HN -0.067 nan 8.150 nan 0.000 0.409 86 V N 1.187 121.095 119.914 -0.010 0.000 2.638 86 V HA 0.696 4.817 4.120 0.002 0.000 0.306 86 V C -1.691 174.392 176.094 -0.018 0.000 1.052 86 V CA -0.639 61.653 62.300 -0.014 0.000 0.885 86 V CB 1.488 33.306 31.823 -0.008 0.000 0.999 86 V HN 1.085 nan 8.190 nan 0.000 0.424 87 L N 9.994 131.204 121.223 -0.022 0.000 2.283 87 L HA 0.759 5.099 4.340 0.002 0.000 0.281 87 L C -2.196 174.665 176.870 -0.015 0.000 1.033 87 L CA -1.224 53.604 54.840 -0.021 0.000 0.848 87 L CB 1.928 43.970 42.059 -0.028 0.000 1.226 87 L HN 0.541 nan 8.230 nan 0.000 0.429 88 P HA 0.166 nan 4.420 nan 0.000 0.280 88 P C 0.448 177.735 177.300 -0.022 0.000 1.431 88 P CA 0.068 63.158 63.100 -0.017 0.000 1.058 88 P CB 0.357 32.050 31.700 -0.011 0.000 1.521 89 T N -4.523 110.026 114.554 -0.009 0.000 3.086 89 T HA 0.216 4.567 4.350 0.002 0.000 0.250 89 T C 1.113 175.827 174.700 0.023 0.000 1.074 89 T CA 0.096 62.197 62.100 0.002 0.000 0.988 89 T CB -0.405 68.473 68.868 0.017 0.000 0.988 89 T HN -0.133 nan 8.240 nan 0.000 0.530 90 M N 1.061 120.672 119.600 0.018 0.000 2.484 90 M HA 0.419 4.899 4.480 0.002 0.000 0.307 90 M C 1.176 177.502 176.300 0.044 0.000 1.149 90 M CA -0.027 55.318 55.300 0.075 0.000 0.972 90 M CB 0.696 33.331 32.600 0.059 0.000 1.400 90 M HN 0.421 nan 8.290 nan 0.000 0.508 91 G N -0.017 108.704 108.800 -0.133 0.000 4.379 91 G HA2 0.495 4.456 3.960 0.002 0.000 0.290 91 G HA3 0.495 4.456 3.960 0.002 0.000 0.290 91 G C 0.670 175.180 174.900 -0.651 0.000 1.065 91 G CA 0.125 45.058 45.100 -0.278 0.000 0.833 91 G HN 0.595 nan 8.290 nan 0.000 0.512 92 G N 0.546 108.675 108.800 -1.120 0.000 2.645 92 G HA2 -0.289 3.672 3.960 0.002 0.000 0.239 92 G HA3 -0.289 3.672 3.960 0.002 0.000 0.239 92 G C 0.759 175.403 174.900 -0.428 0.000 1.331 92 G CA 0.544 44.970 45.100 -1.123 0.000 0.890 92 G HN 0.526 nan 8.290 nan 0.000 0.572 93 Q N -1.043 118.589 119.800 -0.279 0.000 2.172 93 Q HA 0.064 4.405 4.340 0.002 0.000 0.200 93 Q C 2.861 178.801 176.000 -0.099 0.000 0.964 93 Q CA 2.732 58.463 55.803 -0.120 0.000 0.855 93 Q CB -0.642 28.060 28.738 -0.060 0.000 0.918 93 Q HN 0.730 nan 8.270 nan 0.000 0.444 94 T N 0.112 114.583 114.554 -0.138 0.000 2.635 94 T HA -0.246 4.105 4.350 0.002 0.000 0.267 94 T C 1.654 176.301 174.700 -0.088 0.000 1.040 94 T CA 1.698 63.738 62.100 -0.099 0.000 1.156 94 T CB -0.593 68.210 68.868 -0.108 0.000 0.863 94 T HN 0.482 nan 8.240 nan 0.000 0.430 95 A N 0.727 123.473 122.820 -0.123 0.000 1.930 95 A HA 0.093 4.414 4.320 0.002 0.000 0.217 95 A C 2.334 179.888 177.584 -0.051 0.000 1.175 95 A CA 0.985 52.971 52.037 -0.085 0.000 0.627 95 A CB -0.699 18.244 19.000 -0.094 0.000 0.815 95 A HN 0.472 nan 8.150 nan 0.000 0.443 96 L N -0.481 120.715 121.223 -0.046 0.000 2.017 96 L HA -0.204 4.136 4.340 0.002 0.000 0.208 96 L C 2.389 179.284 176.870 0.042 0.000 1.073 96 L CA 1.398 56.245 54.840 0.012 0.000 0.745 96 L CB -0.719 41.360 42.059 0.034 0.000 0.894 96 L HN 0.341 nan 8.230 nan 0.000 0.432 97 N N -0.420 118.299 118.700 0.033 0.000 2.069 97 N HA -0.223 4.518 4.740 0.002 0.000 0.191 97 N C 1.905 177.387 175.510 -0.048 0.000 1.031 97 N CA 1.598 54.648 53.050 -0.000 0.000 0.852 97 N CB -0.830 37.654 38.487 -0.006 0.000 1.018 97 N HN 0.342 nan 8.380 nan 0.000 0.423 98 C N 0.675 119.954 119.300 -0.035 0.000 2.432 98 C HA 0.037 4.498 4.460 0.002 0.000 0.277 98 C C 2.739 177.714 174.990 -0.025 0.000 1.249 98 C CA 1.146 60.149 59.018 -0.026 0.000 1.725 98 C CB -1.326 26.405 27.740 -0.015 0.000 2.028 98 C HN 0.489 nan 8.230 nan 0.000 0.477 99 A N -0.109 122.699 122.820 -0.020 0.000 1.892 99 A HA -0.149 4.172 4.320 0.002 0.000 0.218 99 A C 1.995 179.559 177.584 -0.035 0.000 1.188 99 A CA 1.952 53.980 52.037 -0.016 0.000 0.631 99 A CB -0.748 18.249 19.000 -0.005 0.000 0.822 99 A HN 0.562 nan 8.150 nan 0.000 0.447 100 L N -0.792 120.403 121.223 -0.046 0.000 2.141 100 L HA -0.088 4.253 4.340 0.002 0.000 0.209 100 L C 2.380 179.157 176.870 -0.155 0.000 1.094 100 L CA 2.077 56.867 54.840 -0.085 0.000 0.763 100 L CB -0.421 41.587 42.059 -0.084 0.000 0.908 100 L HN 0.543 nan 8.230 nan 0.000 0.437 101 E N -0.365 119.728 120.200 -0.179 0.000 2.046 101 E HA -0.154 4.197 4.350 0.002 0.000 0.190 101 E C 2.205 178.614 176.600 -0.319 0.000 0.982 101 E CA 1.101 57.326 56.400 -0.293 0.000 0.800 101 E CB -0.241 29.280 29.700 -0.298 0.000 0.756 101 E HN 0.379 nan 8.360 nan 0.000 0.449 102 L N 0.772 121.906 121.223 -0.148 0.000 2.081 102 L HA -0.199 4.142 4.340 0.002 0.000 0.212 102 L C 2.664 179.479 176.870 -0.092 0.000 1.080 102 L CA 1.457 56.257 54.840 -0.066 0.000 0.754 102 L CB -0.452 41.623 42.059 0.026 0.000 0.893 102 L HN 0.263 nan 8.230 nan 0.000 0.433 103 E N 0.249 120.391 120.200 -0.097 0.000 2.028 103 E HA -0.239 4.112 4.350 0.002 0.000 0.191 103 E C 2.268 178.794 176.600 -0.123 0.000 0.988 103 E CA 1.146 57.496 56.400 -0.082 0.000 0.799 103 E CB 0.021 29.683 29.700 -0.064 0.000 0.755 103 E HN 0.347 nan 8.360 nan 0.000 0.447 104 R N 0.389 120.783 120.500 -0.177 0.000 2.082 104 R HA -0.152 4.189 4.340 0.002 0.000 0.234 104 R C 2.284 178.435 176.300 -0.249 0.000 1.136 104 R CA 1.701 57.676 56.100 -0.208 0.000 0.935 104 R CB -0.081 30.064 30.300 -0.257 0.000 0.842 104 R HN 0.112 nan 8.270 nan 0.000 0.430 105 Q N -0.638 118.935 119.800 -0.379 0.000 2.439 105 Q HA -0.058 4.283 4.340 0.002 0.000 0.211 105 Q C 1.123 176.994 176.000 -0.215 0.000 0.978 105 Q CA 1.291 56.824 55.803 -0.449 0.000 0.897 105 Q CB 0.182 28.335 28.738 -0.975 0.000 0.956 105 Q HN 0.773 nan 8.270 nan 0.000 0.483 106 G N -0.060 108.656 108.800 -0.140 0.000 2.143 106 G HA2 -0.289 3.672 3.960 0.002 0.000 0.249 106 G HA3 -0.289 3.672 3.960 0.002 0.000 0.249 106 G C 0.914 175.809 174.900 -0.008 0.000 0.981 106 G CA 0.424 45.483 45.100 -0.067 0.000 0.665 106 G HN 0.294 nan 8.290 nan 0.000 0.528 107 V N 0.633 120.570 119.914 0.038 0.000 2.490 107 V HA -0.154 3.967 4.120 0.002 0.000 0.250 107 V C 2.906 179.120 176.094 0.200 0.000 1.061 107 V CA 2.220 64.629 62.300 0.181 0.000 1.064 107 V CB -0.504 31.471 31.823 0.254 0.000 0.670 107 V HN 0.537 nan 8.190 nan 0.000 0.461 108 L N -0.214 121.068 121.223 0.098 0.000 2.027 108 L HA -0.171 4.170 4.340 0.002 0.000 0.206 108 L C 2.581 179.495 176.870 0.074 0.000 1.074 108 L CA 1.899 56.794 54.840 0.092 0.000 0.745 108 L CB -0.654 41.430 42.059 0.042 0.000 0.898 108 L HN 0.336 nan 8.230 nan 0.000 0.433 109 E N 0.681 120.895 120.200 0.022 0.000 2.038 109 E HA -0.271 4.080 4.350 0.002 0.000 0.195 109 E C 2.114 178.684 176.600 -0.050 0.000 1.000 109 E CA 1.490 57.882 56.400 -0.014 0.000 0.803 109 E CB -0.009 29.670 29.700 -0.036 0.000 0.750 109 E HN 0.299 nan 8.360 nan 0.000 0.448 110 E N -0.942 119.203 120.200 -0.092 0.000 2.086 110 E HA -0.220 4.130 4.350 0.002 0.000 0.205 110 E C 1.226 177.541 176.600 -0.475 0.000 1.027 110 E CA 1.613 57.822 56.400 -0.318 0.000 0.830 110 E CB -0.148 29.342 29.700 -0.349 0.000 0.751 110 E HN 0.338 nan 8.360 nan 0.000 0.456 111 F N -0.979 118.975 119.950 0.007 0.000 2.641 111 F HA 0.298 4.826 4.527 0.001 0.000 0.302 111 F C 1.142 176.944 175.800 0.003 0.000 1.098 111 F CA 0.366 58.369 58.000 0.006 0.000 1.318 111 F CB 0.967 39.970 39.000 0.005 0.000 1.035 111 F HN 0.046 nan 8.300 nan 0.000 0.551 112 G N 1.416 110.278 108.800 0.104 0.000 2.295 112 G HA2 -0.245 3.716 3.960 0.002 0.000 0.287 112 G HA3 -0.245 3.716 3.960 0.002 0.000 0.287 112 G C -0.235 174.713 174.900 0.080 0.000 1.055 112 G CA 0.062 45.204 45.100 0.069 0.000 0.922 112 G HN 0.175 nan 8.290 nan 0.000 0.503 113 V N 0.864 120.832 119.914 0.090 0.000 2.406 113 V HA 0.455 4.576 4.120 0.002 0.000 0.272 113 V C 0.952 177.070 176.094 0.039 0.000 1.043 113 V CA -0.077 62.261 62.300 0.065 0.000 0.915 113 V CB 1.431 33.294 31.823 0.066 0.000 0.988 113 V HN 0.370 nan 8.190 nan 0.000 0.466 114 T N 6.787 121.357 114.554 0.027 0.000 2.780 114 T HA 0.347 4.698 4.350 0.002 0.000 0.294 114 T C 0.016 174.720 174.700 0.007 0.000 0.949 114 T CA -0.157 61.953 62.100 0.015 0.000 1.074 114 T CB 0.704 69.580 68.868 0.013 0.000 0.910 114 T HN 0.675 nan 8.240 nan 0.000 0.501 115 M N 6.144 125.747 119.600 0.005 0.000 2.184 115 M HA 0.415 4.896 4.480 0.002 0.000 0.351 115 M C -0.379 175.918 176.300 -0.004 0.000 1.395 115 M CA -0.250 55.050 55.300 0.000 0.000 1.117 115 M CB -0.144 32.457 32.600 0.003 0.000 1.708 115 M HN 0.641 nan 8.290 nan 0.000 0.468 116 I N 1.746 122.309 120.570 -0.012 0.000 2.863 116 I HA 0.931 5.102 4.170 0.002 0.000 0.311 116 I C 0.754 176.864 176.117 -0.012 0.000 1.026 116 I CA -0.200 61.090 61.300 -0.018 0.000 1.077 116 I CB 1.606 39.583 38.000 -0.038 0.000 1.262 116 I HN 0.852 nan 8.210 nan 0.000 0.461 117 G N 2.847 111.643 108.800 -0.007 0.000 3.909 117 G HA2 -0.162 3.798 3.960 0.002 0.000 0.218 117 G HA3 -0.162 3.798 3.960 0.002 0.000 0.218 117 G C 0.164 175.072 174.900 0.012 0.000 1.404 117 G CA 0.322 45.425 45.100 0.005 0.000 0.905 117 G HN 1.652 nan 8.290 nan 0.000 0.589 118 A N 0.183 123.008 122.820 0.010 0.000 2.449 118 A HA 0.879 5.200 4.320 0.002 0.000 0.302 118 A C 0.177 177.768 177.584 0.012 0.000 1.048 118 A CA 0.937 52.982 52.037 0.013 0.000 0.708 118 A CB 1.283 20.292 19.000 0.014 0.000 1.274 118 A HN 1.875 nan 8.150 nan 0.000 0.410 119 T N -0.584 113.979 114.554 0.015 0.000 2.849 119 T HA 0.549 4.900 4.350 0.002 0.000 0.284 119 T C 1.374 176.088 174.700 0.022 0.000 1.004 119 T CA 0.119 62.228 62.100 0.015 0.000 1.021 119 T CB 1.314 70.190 68.868 0.014 0.000 1.013 119 T HN 1.449 nan 8.240 nan 0.000 0.527 120 A N 0.596 123.428 122.820 0.021 0.000 1.902 120 A HA -0.056 4.265 4.320 0.002 0.000 0.217 120 A C 2.026 179.637 177.584 0.045 0.000 1.181 120 A CA 1.932 53.987 52.037 0.030 0.000 0.623 120 A CB -1.238 17.770 19.000 0.014 0.000 0.818 120 A HN 0.995 nan 8.150 nan 0.000 0.443 121 D N -0.205 120.215 120.400 0.033 0.000 2.144 121 D HA -0.034 4.607 4.640 0.002 0.000 0.199 121 D C 2.003 178.330 176.300 0.045 0.000 0.984 121 D CA 1.602 55.625 54.000 0.039 0.000 0.834 121 D CB -0.207 40.608 40.800 0.025 0.000 0.955 121 D HN 0.328 nan 8.370 nan 0.000 0.465 122 A N 0.286 123.127 122.820 0.035 0.000 1.877 122 A HA -0.116 4.205 4.320 0.002 0.000 0.216 122 A C 2.471 180.073 177.584 0.031 0.000 1.186 122 A CA 1.419 53.475 52.037 0.032 0.000 0.620 122 A CB -0.883 18.132 19.000 0.025 0.000 0.822 122 A HN 0.375 nan 8.150 nan 0.000 0.443 123 I N -0.219 120.372 120.570 0.035 0.000 2.194 123 I HA -0.294 3.877 4.170 0.002 0.000 0.246 123 I C 2.278 178.405 176.117 0.017 0.000 1.093 123 I CA 2.069 63.383 61.300 0.024 0.000 1.355 123 I CB -0.474 37.560 38.000 0.058 0.000 1.046 123 I HN 0.433 nan 8.210 nan 0.000 0.413 124 D N 0.846 121.317 120.400 0.120 0.000 2.144 124 D HA -0.217 4.424 4.640 0.002 0.000 0.200 124 D C 2.210 178.551 176.300 0.068 0.000 0.978 124 D CA 1.195 55.322 54.000 0.212 0.000 0.833 124 D CB 0.029 40.977 40.800 0.247 0.000 0.961 124 D HN 0.093 nan 8.370 nan 0.000 0.470 125 K N -0.376 120.060 120.400 0.060 0.000 2.063 125 K HA -0.158 4.163 4.320 0.002 0.000 0.208 125 K C 1.926 178.578 176.600 0.087 0.000 1.048 125 K CA 1.359 57.684 56.287 0.064 0.000 0.928 125 K CB -0.149 32.383 32.500 0.054 0.000 0.713 125 K HN 0.183 nan 8.250 nan 0.000 0.442 126 A N 0.782 123.623 122.820 0.036 0.000 1.930 126 A HA -0.066 4.255 4.320 0.002 0.000 0.215 126 A C 1.767 179.208 177.584 -0.237 0.000 1.176 126 A CA 0.994 53.030 52.037 -0.002 0.000 0.632 126 A CB -0.161 18.796 19.000 -0.072 0.000 0.819 126 A HN 0.266 nan 8.150 nan 0.000 0.445 127 E N 0.503 120.455 120.200 -0.413 0.000 2.158 127 E HA -0.078 4.273 4.350 0.002 0.000 0.191 127 E C -0.041 176.091 176.600 -0.781 0.000 0.982 127 E CA 0.353 56.212 56.400 -0.903 0.000 0.823 127 E CB -0.216 28.409 29.700 -1.791 0.000 0.766 127 E HN 0.552 nan 8.360 nan 0.000 0.468 128 D N 1.116 121.323 120.400 -0.321 0.000 2.336 128 D HA 0.004 4.645 4.640 0.002 0.000 0.249 128 D C 0.982 177.293 176.300 0.019 0.000 1.213 128 D CA -0.173 53.840 54.000 0.020 0.000 0.870 128 D CB 0.677 41.582 40.800 0.175 0.000 1.076 128 D HN -0.230 nan 8.370 nan 0.000 0.483 129 R N 3.579 124.087 120.500 0.013 0.000 2.091 129 R HA -0.160 4.181 4.340 0.002 0.000 0.238 129 R C 2.011 178.368 176.300 0.095 0.000 1.136 129 R CA 0.893 57.016 56.100 0.039 0.000 0.959 129 R CB -0.567 29.736 30.300 0.006 0.000 0.856 129 R HN 0.566 nan 8.270 nan 0.000 0.437 130 R N 0.901 121.449 120.500 0.079 0.000 2.075 130 R HA -0.048 4.293 4.340 0.002 0.000 0.232 130 R C 2.294 178.635 176.300 0.067 0.000 1.126 130 R CA 1.268 57.408 56.100 0.067 0.000 0.963 130 R CB -0.021 30.321 30.300 0.070 0.000 0.858 130 R HN 0.137 nan 8.270 nan 0.000 0.435 131 R N -0.514 120.036 120.500 0.083 0.000 2.083 131 R HA -0.174 4.167 4.340 0.002 0.000 0.237 131 R C 2.223 178.556 176.300 0.055 0.000 1.137 131 R CA 1.764 57.904 56.100 0.065 0.000 0.951 131 R CB -0.566 29.779 30.300 0.074 0.000 0.851 131 R HN 0.219 nan 8.270 nan 0.000 0.434 132 F N 2.277 122.202 119.950 -0.042 0.000 2.091 132 F HA -0.288 4.239 4.527 0.002 0.000 0.299 132 F C 2.161 177.932 175.800 -0.048 0.000 1.103 132 F CA 1.762 59.727 58.000 -0.058 0.000 1.228 132 F CB -0.327 38.622 39.000 -0.085 0.000 0.984 132 F HN 0.036 nan 8.300 nan 0.000 0.477 133 D N -0.295 120.090 120.400 -0.026 0.000 2.117 133 D HA -0.151 4.490 4.640 0.002 0.000 0.197 133 D C 2.320 178.540 176.300 -0.133 0.000 0.987 133 D CA 1.558 55.508 54.000 -0.083 0.000 0.829 133 D CB 0.012 40.822 40.800 0.016 0.000 0.961 133 D HN 0.255 nan 8.370 nan 0.000 0.460 134 V N 1.399 121.258 119.914 -0.091 0.000 2.358 134 V HA -0.204 3.917 4.120 0.002 0.000 0.246 134 V C 2.670 178.689 176.094 -0.125 0.000 1.047 134 V CA 1.644 63.897 62.300 -0.079 0.000 1.035 134 V CB -0.660 31.139 31.823 -0.040 0.000 0.658 134 V HN 0.220 nan 8.190 nan 0.000 0.452 135 A N -0.350 122.361 122.820 -0.182 0.000 1.933 135 A HA -0.212 4.108 4.320 0.002 0.000 0.218 135 A C 2.219 179.653 177.584 -0.250 0.000 1.175 135 A CA 1.935 53.847 52.037 -0.208 0.000 0.628 135 A CB -0.430 18.420 19.000 -0.250 0.000 0.814 135 A HN 0.410 nan 8.150 nan 0.000 0.444 136 M N -0.169 119.211 119.600 -0.366 0.000 2.117 136 M HA -0.125 4.356 4.480 0.002 0.000 0.262 136 M C 2.096 178.306 176.300 -0.150 0.000 1.065 136 M CA 2.028 57.154 55.300 -0.291 0.000 1.114 136 M CB -1.235 31.168 32.600 -0.328 0.000 1.361 136 M HN 0.612 nan 8.290 nan 0.000 0.408 137 K N 0.768 121.091 120.400 -0.128 0.000 2.057 137 K HA -0.196 4.125 4.320 0.002 0.000 0.207 137 K C 2.129 178.689 176.600 -0.066 0.000 1.049 137 K CA 1.476 57.718 56.287 -0.076 0.000 0.931 137 K CB -0.123 32.340 32.500 -0.062 0.000 0.714 137 K HN 0.186 nan 8.250 nan 0.000 0.440 138 K N 1.182 121.534 120.400 -0.080 0.000 2.152 138 K HA -0.127 4.194 4.320 0.002 0.000 0.206 138 K C 1.743 178.310 176.600 -0.054 0.000 1.048 138 K CA 1.647 57.897 56.287 -0.061 0.000 0.933 138 K CB -0.160 32.303 32.500 -0.062 0.000 0.721 138 K HN 0.485 nan 8.250 nan 0.000 0.447 139 I N -3.438 117.092 120.570 -0.067 0.000 3.904 139 I HA 0.318 4.489 4.170 0.002 0.000 0.333 139 I C 0.545 176.642 176.117 -0.034 0.000 1.361 139 I CA 0.163 61.434 61.300 -0.048 0.000 1.116 139 I CB 0.221 38.191 38.000 -0.050 0.000 1.028 139 I HN 0.147 nan 8.210 nan 0.000 0.398 140 G N 2.324 111.103 108.800 -0.034 0.000 2.221 140 G HA2 -0.235 3.726 3.960 0.002 0.000 0.265 140 G HA3 -0.235 3.726 3.960 0.002 0.000 0.265 140 G C -0.154 174.742 174.900 -0.007 0.000 1.041 140 G CA 0.230 45.319 45.100 -0.019 0.000 0.807 140 G HN 0.468 nan 8.290 nan 0.000 0.502 141 L N -0.507 120.707 121.223 -0.015 0.000 2.331 141 L HA 0.629 4.970 4.340 0.002 0.000 0.275 141 L C 0.548 177.425 176.870 0.012 0.000 1.022 141 L CA -0.884 53.965 54.840 0.016 0.000 0.812 141 L CB 1.810 43.883 42.059 0.023 0.000 1.257 141 L HN 0.335 nan 8.230 nan 0.000 0.435 142 E N 1.347 121.577 120.200 0.050 0.000 2.204 142 E HA 0.441 4.792 4.350 0.002 0.000 0.276 142 E C -1.032 175.599 176.600 0.051 0.000 0.974 142 E CA -0.465 55.962 56.400 0.046 0.000 0.815 142 E CB 1.694 31.435 29.700 0.069 0.000 1.119 142 E HN 0.664 nan 8.360 nan 0.000 0.393 143 T N 0.176 114.742 114.554 0.021 0.000 2.916 143 T HA 0.714 5.065 4.350 0.002 0.000 0.292 143 T C -0.095 174.596 174.700 -0.015 0.000 1.064 143 T CA -0.744 61.364 62.100 0.013 0.000 1.011 143 T CB 1.460 70.336 68.868 0.013 0.000 1.152 143 T HN 0.523 nan 8.240 nan 0.000 0.510 144 A N 1.549 124.342 122.820 -0.046 0.000 2.483 144 A HA 0.453 4.774 4.320 0.002 0.000 0.238 144 A C 0.717 178.266 177.584 -0.059 0.000 1.070 144 A CA -0.480 51.505 52.037 -0.087 0.000 0.770 144 A CB -0.154 18.773 19.000 -0.121 0.000 1.008 144 A HN 0.989 nan 8.150 nan 0.000 0.497 145 R N 0.979 121.441 120.500 -0.064 0.000 2.522 145 R HA 0.289 4.630 4.340 0.002 0.000 0.284 145 R C 0.009 176.275 176.300 -0.056 0.000 1.032 145 R CA 1.017 57.087 56.100 -0.051 0.000 1.049 145 R CB 0.072 30.341 30.300 -0.052 0.000 0.956 145 R HN 1.001 nan 8.270 nan 0.000 0.422 146 S N 1.956 117.629 115.700 -0.045 0.000 2.790 146 S HA 0.811 5.282 4.470 0.002 0.000 0.292 146 S C -0.643 173.935 174.600 -0.038 0.000 1.197 146 S CA -0.543 57.632 58.200 -0.042 0.000 0.851 146 S CB 1.761 64.942 63.200 -0.031 0.000 1.217 146 S HN 0.741 nan 8.310 nan 0.000 0.526 147 G N -0.141 108.638 108.800 -0.034 0.000 2.759 147 G HA2 0.578 4.539 3.960 0.002 0.000 0.297 147 G HA3 0.578 4.539 3.960 0.002 0.000 0.297 147 G C -1.456 173.417 174.900 -0.045 0.000 1.434 147 G CA -0.690 44.388 45.100 -0.036 0.000 0.980 147 G HN 0.609 nan 8.290 nan 0.000 0.531 148 I N 0.898 121.426 120.570 -0.070 0.000 2.499 148 I HA 0.654 4.825 4.170 0.002 0.000 0.296 148 I C 0.510 176.502 176.117 -0.209 0.000 0.992 148 I CA -0.528 60.691 61.300 -0.136 0.000 1.297 148 I CB 1.589 39.503 38.000 -0.143 0.000 1.410 148 I HN 0.662 nan 8.210 nan 0.000 0.507 149 A N 4.628 127.275 122.820 -0.287 0.000 2.486 149 A HA 0.624 4.945 4.320 0.002 0.000 0.300 149 A C -0.682 176.681 177.584 -0.368 0.000 1.048 149 A CA -0.442 51.441 52.037 -0.257 0.000 0.696 149 A CB 0.830 19.792 19.000 -0.064 0.000 1.278 149 A HN 0.868 nan 8.150 nan 0.000 0.405 150 H N 0.287 119.374 119.070 0.027 0.000 3.058 150 H HA 0.305 4.862 4.556 0.001 0.000 0.266 150 H C 0.431 175.771 175.328 0.020 0.000 1.135 150 H CA 0.821 56.881 56.048 0.021 0.000 1.174 150 H CB 1.133 30.906 29.762 0.018 0.000 1.581 150 H HN 0.800 nan 8.280 nan 0.000 0.553 151 T N -3.631 110.985 114.554 0.103 0.000 2.821 151 T HA 0.148 4.499 4.350 0.002 0.000 0.306 151 T C 0.769 175.509 174.700 0.066 0.000 1.313 151 T CA -0.933 61.215 62.100 0.081 0.000 1.012 151 T CB 1.601 70.517 68.868 0.081 0.000 1.298 151 T HN -0.033 nan 8.240 nan 0.000 0.502 152 M N 0.991 120.629 119.600 0.064 0.000 2.144 152 M HA -0.023 4.458 4.480 0.002 0.000 0.260 152 M C 2.069 178.437 176.300 0.113 0.000 1.067 152 M CA 2.362 57.712 55.300 0.084 0.000 1.095 152 M CB -0.764 31.881 32.600 0.075 0.000 1.365 152 M HN 0.903 nan 8.290 nan 0.000 0.406 153 E N -0.359 119.892 120.200 0.085 0.000 2.047 153 E HA -0.212 4.139 4.350 0.002 0.000 0.191 153 E C 1.730 178.372 176.600 0.070 0.000 0.987 153 E CA 1.615 58.060 56.400 0.074 0.000 0.799 153 E CB -0.221 29.512 29.700 0.055 0.000 0.752 153 E HN 0.680 nan 8.360 nan 0.000 0.449 154 E N 0.514 120.753 120.200 0.065 0.000 2.077 154 E HA -0.199 4.152 4.350 0.002 0.000 0.193 154 E C 2.170 178.810 176.600 0.066 0.000 0.989 154 E CA 0.852 57.280 56.400 0.047 0.000 0.800 154 E CB -0.205 29.514 29.700 0.031 0.000 0.746 154 E HN 0.404 nan 8.360 nan 0.000 0.452 155 A N 1.671 124.560 122.820 0.115 0.000 1.883 155 A HA -0.199 4.122 4.320 0.002 0.000 0.217 155 A C 2.279 180.043 177.584 0.301 0.000 1.186 155 A CA 1.310 53.493 52.037 0.244 0.000 0.624 155 A CB -0.824 18.322 19.000 0.244 0.000 0.822 155 A HN 0.128 nan 8.150 nan 0.000 0.444 156 L N -0.738 120.626 121.223 0.235 0.000 2.042 156 L HA -0.226 4.115 4.340 0.002 0.000 0.210 156 L C 3.057 179.885 176.870 -0.069 0.000 1.076 156 L CA 1.229 56.105 54.840 0.062 0.000 0.749 156 L CB -0.530 41.581 42.059 0.086 0.000 0.893 156 L HN 0.432 nan 8.230 nan 0.000 0.432 157 A N -0.633 122.177 122.820 -0.017 0.000 2.019 157 A HA -0.120 4.201 4.320 0.002 0.000 0.219 157 A C 2.327 179.862 177.584 -0.082 0.000 1.164 157 A CA 1.614 53.622 52.037 -0.048 0.000 0.644 157 A CB -0.682 18.307 19.000 -0.019 0.000 0.805 157 A HN 0.218 nan 8.150 nan 0.000 0.449 158 V N -0.337 119.538 119.914 -0.065 0.000 2.323 158 V HA -0.195 3.926 4.120 0.002 0.000 0.244 158 V C 3.045 179.021 176.094 -0.196 0.000 1.041 158 V CA 1.761 64.011 62.300 -0.085 0.000 1.025 158 V CB -1.181 30.630 31.823 -0.021 0.000 0.656 158 V HN 0.594 nan 8.190 nan 0.000 0.451 159 A N 0.244 122.864 122.820 -0.333 0.000 1.908 159 A HA -0.155 4.166 4.320 0.002 0.000 0.218 159 A C 2.413 179.673 177.584 -0.540 0.000 1.181 159 A CA 2.079 53.727 52.037 -0.650 0.000 0.627 159 A CB -0.825 17.413 19.000 -1.269 0.000 0.818 159 A HN 0.589 nan 8.150 nan 0.000 0.445 160 A N -0.308 122.298 122.820 -0.356 0.000 2.024 160 A HA -0.199 4.122 4.320 0.002 0.000 0.220 160 A C 1.769 179.233 177.584 -0.199 0.000 1.164 160 A CA 2.254 54.147 52.037 -0.240 0.000 0.643 160 A CB -0.551 18.363 19.000 -0.143 0.000 0.806 160 A HN 0.681 nan 8.150 nan 0.000 0.451 161 D N -1.137 119.148 120.400 -0.191 0.000 2.277 161 D HA -0.047 4.594 4.640 0.002 0.000 0.209 161 D C 1.723 177.930 176.300 -0.155 0.000 0.970 161 D CA 1.307 55.221 54.000 -0.143 0.000 0.874 161 D CB 0.125 40.865 40.800 -0.100 0.000 0.982 161 D HN 0.308 nan 8.370 nan 0.000 0.504 162 V N -2.619 117.172 119.914 -0.205 0.000 2.992 162 V HA 0.456 4.577 4.120 0.002 0.000 0.250 162 V C 1.263 177.218 176.094 -0.231 0.000 1.090 162 V CA 0.535 62.723 62.300 -0.187 0.000 1.101 162 V CB -0.761 30.966 31.823 -0.161 0.000 0.743 162 V HN 0.334 nan 8.190 nan 0.000 0.468 163 G N 0.241 108.817 108.800 -0.374 0.000 2.814 163 G HA2 -0.167 3.794 3.960 0.002 0.000 0.677 163 G HA3 -0.167 3.794 3.960 0.002 0.000 0.677 163 G C -0.808 173.771 174.900 -0.534 0.000 1.429 163 G CA -0.181 44.646 45.100 -0.455 0.000 0.868 163 G HN 0.492 nan 8.290 nan 0.000 0.553 164 F N 1.695 121.602 119.950 -0.072 0.000 2.385 164 F HA 0.589 5.117 4.527 0.002 0.000 0.336 164 F C -0.660 175.136 175.800 -0.007 0.000 1.100 164 F CA -1.510 56.459 58.000 -0.052 0.000 1.116 164 F CB 1.017 40.007 39.000 -0.017 0.000 1.166 164 F HN 0.454 nan 8.300 nan 0.000 0.511 165 P HA 0.449 nan 4.420 nan 0.000 0.282 165 P C -1.241 176.069 177.300 0.016 0.000 1.259 165 P CA -0.559 62.628 63.100 0.145 0.000 0.826 165 P CB 1.218 32.812 31.700 -0.177 0.000 1.064 166 C N 0.139 119.466 119.300 0.046 0.000 2.667 166 C HA 0.786 5.247 4.460 0.002 0.000 0.323 166 C C -0.377 174.615 174.990 0.003 0.000 1.214 166 C CA -0.939 58.070 59.018 -0.015 0.000 1.721 166 C CB 0.154 27.857 27.740 -0.061 0.000 2.275 166 C HN 0.375 nan 8.230 nan 0.000 0.491 167 I N 1.890 122.451 120.570 -0.015 0.000 2.354 167 I HA 0.485 4.656 4.170 0.002 0.000 0.292 167 I C -0.190 175.929 176.117 0.004 0.000 0.989 167 I CA -0.672 60.617 61.300 -0.019 0.000 1.188 167 I CB 1.152 39.125 38.000 -0.044 0.000 1.342 167 I HN 0.541 nan 8.210 nan 0.000 0.457 168 I N 6.883 127.451 120.570 -0.003 0.000 2.339 168 I HA 0.448 4.619 4.170 0.002 0.000 0.290 168 I C 0.041 176.138 176.117 -0.034 0.000 0.994 168 I CA -0.248 61.038 61.300 -0.023 0.000 1.191 168 I CB 0.574 38.526 38.000 -0.079 0.000 1.343 168 I HN 0.352 nan 8.210 nan 0.000 0.458 169 R N 7.013 127.493 120.500 -0.033 0.000 2.422 169 R HA 0.428 4.769 4.340 0.002 0.000 0.307 169 R C -2.660 173.620 176.300 -0.033 0.000 1.004 169 R CA -1.785 54.295 56.100 -0.034 0.000 0.882 169 R CB 1.518 31.793 30.300 -0.042 0.000 1.164 169 R HN 0.238 nan 8.270 nan 0.000 0.489 170 P HA 0.069 nan 4.420 nan 0.000 0.272 170 P C -0.382 176.920 177.300 0.003 0.000 1.223 170 P CA -0.139 62.957 63.100 -0.007 0.000 0.784 170 P CB 0.890 32.590 31.700 -0.000 0.000 0.923 171 S N 1.488 117.217 115.700 0.048 0.000 2.580 171 S HA 0.330 4.801 4.470 0.002 0.000 0.274 171 S C 0.067 174.771 174.600 0.174 0.000 1.329 171 S CA -0.042 58.200 58.200 0.070 0.000 1.036 171 S CB -0.751 62.561 63.200 0.187 0.000 0.919 171 S HN 0.453 nan 8.310 nan 0.000 0.515 172 F N -0.168 119.762 119.950 -0.034 0.000 2.988 172 F HA -0.233 4.295 4.527 0.001 0.000 0.287 172 F C 0.944 176.718 175.800 -0.043 0.000 0.781 172 F CA 0.922 58.899 58.000 -0.038 0.000 1.221 172 F CB -2.273 36.708 39.000 -0.032 0.000 1.392 172 F HN 0.641 nan 8.300 nan 0.000 0.425 173 T N -1.791 112.790 114.554 0.044 0.000 2.916 173 T HA 0.889 5.240 4.350 0.002 0.000 0.292 173 T C -0.188 174.497 174.700 -0.026 0.000 1.064 173 T CA -0.207 61.901 62.100 0.013 0.000 1.011 173 T CB 2.942 71.813 68.868 0.005 0.000 1.152 173 T HN 0.390 nan 8.240 nan 0.000 0.510 174 M N -0.641 118.949 119.600 -0.016 0.000 2.843 174 M HA 0.831 5.312 4.480 0.002 0.000 0.273 174 M C 0.730 177.030 176.300 -0.001 0.000 1.286 174 M CA 0.209 55.513 55.300 0.006 0.000 0.807 174 M CB 0.351 32.957 32.600 0.010 0.000 1.684 174 M HN 1.458 nan 8.290 nan 0.000 0.458 175 G N -0.517 108.306 108.800 0.039 0.000 2.233 175 G HA2 0.173 4.134 3.960 0.002 0.000 0.270 175 G HA3 0.173 4.134 3.960 0.002 0.000 0.270 175 G C 1.158 175.830 174.900 -0.380 0.000 1.011 175 G CA 1.019 45.973 45.100 -0.244 0.000 0.762 175 G HN 2.550 nan 8.290 nan 0.000 0.511 176 G N -1.719 107.037 108.800 -0.072 0.000 2.168 176 G HA2 -0.133 3.828 3.960 0.002 0.000 0.263 176 G HA3 -0.133 3.828 3.960 0.002 0.000 0.263 176 G C 0.667 175.530 174.900 -0.061 0.000 0.977 176 G CA 0.861 45.958 45.100 -0.006 0.000 0.659 176 G HN 1.843 nan 8.290 nan 0.000 0.533 177 S N 0.268 115.919 115.700 -0.081 0.000 2.575 177 S HA 0.400 4.870 4.470 0.002 0.000 0.295 177 S C 1.699 176.266 174.600 -0.055 0.000 1.267 177 S CA 1.271 59.424 58.200 -0.078 0.000 1.074 177 S CB 0.746 63.905 63.200 -0.069 0.000 0.829 177 S HN 2.115 nan 8.310 nan 0.000 0.497 178 G N 2.428 111.189 108.800 -0.064 0.000 2.162 178 G HA2 -0.180 3.781 3.960 0.002 0.000 0.260 178 G HA3 -0.180 3.781 3.960 0.002 0.000 0.260 178 G C 0.337 175.202 174.900 -0.058 0.000 0.976 178 G CA 0.060 45.126 45.100 -0.057 0.000 0.655 178 G HN 1.109 nan 8.290 nan 0.000 0.533 179 G N -1.617 107.154 108.800 -0.049 0.000 3.016 179 G HA2 1.038 4.999 3.960 0.002 0.000 0.270 179 G HA3 1.038 4.999 3.960 0.002 0.000 0.270 179 G C 0.221 175.102 174.900 -0.032 0.000 1.352 179 G CA 0.217 45.292 45.100 -0.042 0.000 1.060 179 G HN 1.701 nan 8.290 nan 0.000 0.538 180 G N -1.785 107.001 108.800 -0.023 0.000 2.317 180 G HA2 0.418 4.379 3.960 0.002 0.000 0.293 180 G HA3 0.418 4.379 3.960 0.002 0.000 0.293 180 G C -1.891 172.996 174.900 -0.022 0.000 1.287 180 G CA -0.806 44.289 45.100 -0.009 0.000 0.850 180 G HN 0.691 nan 8.290 nan 0.000 0.515 181 I N 1.146 121.694 120.570 -0.036 0.000 2.406 181 I HA 0.603 4.774 4.170 0.002 0.000 0.290 181 I C 0.475 176.462 176.117 -0.217 0.000 0.999 181 I CA -0.788 60.422 61.300 -0.150 0.000 1.124 181 I CB 2.041 39.891 38.000 -0.250 0.000 1.289 181 I HN 0.736 nan 8.210 nan 0.000 0.441 182 A N 5.590 128.324 122.820 -0.144 0.000 2.252 182 A HA 0.454 4.775 4.320 0.002 0.000 0.309 182 A C -0.385 177.083 177.584 -0.194 0.000 1.285 182 A CA -0.165 51.865 52.037 -0.012 0.000 0.900 182 A CB 0.015 19.275 19.000 0.432 0.000 1.157 182 A HN 0.749 nan 8.150 nan 0.000 0.536 183 Y N 1.683 121.963 120.300 -0.033 0.000 2.510 183 Y HA 0.090 4.641 4.550 0.001 0.000 0.273 183 Y C 0.963 176.579 175.900 -0.473 0.000 1.119 183 Y CA 0.822 58.860 58.100 -0.104 0.000 1.286 183 Y CB 0.214 38.637 38.460 -0.061 0.000 1.061 183 Y HN 0.909 nan 8.280 nan 0.000 0.542 184 N N -2.390 115.923 118.700 -0.646 0.000 2.853 184 N HA 0.211 4.952 4.740 0.002 0.000 0.258 184 N C 0.360 175.384 175.510 -0.810 0.000 1.444 184 N CA -0.992 51.493 53.050 -0.943 0.000 0.837 184 N CB 0.682 38.961 38.487 -0.348 0.000 1.489 184 N HN -0.203 nan 8.380 nan 0.000 0.529 185 R N -0.134 120.079 120.500 -0.479 0.000 2.081 185 R HA -0.113 4.228 4.340 0.002 0.000 0.235 185 R C 1.330 177.683 176.300 0.088 0.000 1.131 185 R CA 1.647 57.734 56.100 -0.021 0.000 0.960 185 R CB -0.217 30.122 30.300 0.065 0.000 0.856 185 R HN 0.825 nan 8.270 nan 0.000 0.436 186 E N 0.476 120.679 120.200 0.005 0.000 2.038 186 E HA -0.232 4.119 4.350 0.002 0.000 0.195 186 E C 1.665 178.292 176.600 0.046 0.000 1.000 186 E CA 1.910 58.329 56.400 0.031 0.000 0.803 186 E CB 0.035 29.738 29.700 0.004 0.000 0.750 186 E HN 0.513 nan 8.360 nan 0.000 0.448 187 E N -0.229 119.986 120.200 0.024 0.000 2.110 187 E HA -0.189 4.162 4.350 0.002 0.000 0.193 187 E C 1.971 178.615 176.600 0.073 0.000 0.988 187 E CA 0.826 57.248 56.400 0.037 0.000 0.804 187 E CB -0.324 29.398 29.700 0.037 0.000 0.745 187 E HN 0.275 nan 8.360 nan 0.000 0.458 188 F N 2.564 122.508 119.950 -0.010 0.000 2.095 188 F HA -0.208 4.320 4.527 0.001 0.000 0.298 188 F C 2.015 177.848 175.800 0.054 0.000 1.104 188 F CA 1.763 59.807 58.000 0.073 0.000 1.232 188 F CB 0.048 39.177 39.000 0.215 0.000 0.987 188 F HN -0.081 nan 8.300 nan 0.000 0.475 189 E N -0.258 120.013 120.200 0.118 0.000 2.072 189 E HA -0.257 4.094 4.350 0.002 0.000 0.191 189 E C 2.140 178.705 176.600 -0.057 0.000 0.985 189 E CA 1.234 57.645 56.400 0.019 0.000 0.801 189 E CB -0.436 29.326 29.700 0.103 0.000 0.750 189 E HN 0.618 nan 8.360 nan 0.000 0.452 190 E N 1.282 121.463 120.200 -0.031 0.000 2.023 190 E HA -0.227 4.124 4.350 0.002 0.000 0.196 190 E C 2.149 178.694 176.600 -0.091 0.000 1.003 190 E CA 1.245 57.618 56.400 -0.044 0.000 0.809 190 E CB -0.109 29.580 29.700 -0.018 0.000 0.755 190 E HN 0.185 nan 8.360 nan 0.000 0.449 191 I N 0.791 121.289 120.570 -0.119 0.000 2.179 191 I HA -0.344 3.827 4.170 0.002 0.000 0.242 191 I C 2.774 178.768 176.117 -0.206 0.000 1.088 191 I CA 0.890 62.103 61.300 -0.145 0.000 1.357 191 I CB -0.353 37.563 38.000 -0.139 0.000 1.051 191 I HN 0.342 nan 8.210 nan 0.000 0.409 192 C N 0.703 119.797 119.300 -0.343 0.000 2.413 192 C HA -0.194 4.267 4.460 0.002 0.000 0.276 192 C C 3.219 178.104 174.990 -0.175 0.000 1.236 192 C CA 1.078 59.882 59.018 -0.358 0.000 1.735 192 C CB -1.304 26.071 27.740 -0.609 0.000 2.031 192 C HN 0.619 nan 8.230 nan 0.000 0.474 193 A N 0.130 122.877 122.820 -0.122 0.000 1.902 193 A HA -0.209 4.112 4.320 0.002 0.000 0.217 193 A C 2.216 179.761 177.584 -0.065 0.000 1.181 193 A CA 1.828 53.829 52.037 -0.059 0.000 0.623 193 A CB -0.649 18.336 19.000 -0.026 0.000 0.818 193 A HN 0.651 nan 8.150 nan 0.000 0.443 194 R N -0.690 119.757 120.500 -0.087 0.000 2.096 194 R HA -0.150 4.191 4.340 0.002 0.000 0.240 194 R C 2.194 178.456 176.300 -0.064 0.000 1.139 194 R CA 1.889 57.939 56.100 -0.082 0.000 0.952 194 R CB -0.643 29.605 30.300 -0.087 0.000 0.854 194 R HN 0.468 nan 8.270 nan 0.000 0.436 195 G N 0.043 108.801 108.800 -0.070 0.000 2.430 195 G HA2 -0.130 3.831 3.960 0.002 0.000 0.216 195 G HA3 -0.130 3.831 3.960 0.002 0.000 0.216 195 G C 1.430 176.315 174.900 -0.026 0.000 1.146 195 G CA 0.147 45.217 45.100 -0.049 0.000 0.793 195 G HN 0.212 nan 8.290 nan 0.000 0.537 196 L N 0.218 121.423 121.223 -0.030 0.000 2.046 196 L HA -0.075 4.266 4.340 0.002 0.000 0.208 196 L C 2.492 179.369 176.870 0.012 0.000 1.077 196 L CA 1.458 56.299 54.840 0.002 0.000 0.747 196 L CB -0.252 41.810 42.059 0.005 0.000 0.896 196 L HN 0.164 nan 8.230 nan 0.000 0.432 197 D N -0.250 120.151 120.400 0.000 0.000 2.097 197 D HA -0.205 4.435 4.640 0.002 0.000 0.195 197 D C 1.972 178.277 176.300 0.008 0.000 0.989 197 D CA 0.922 54.927 54.000 0.009 0.000 0.827 197 D CB 0.129 40.933 40.800 0.006 0.000 0.966 197 D HN 0.086 nan 8.370 nan 0.000 0.456 198 L N -0.125 121.095 121.223 -0.004 0.000 2.341 198 L HA 0.177 4.518 4.340 0.002 0.000 0.214 198 L C 0.649 177.525 176.870 0.011 0.000 1.115 198 L CA 0.488 55.327 54.840 -0.002 0.000 0.820 198 L CB -0.336 41.712 42.059 -0.019 0.000 0.944 198 L HN -0.156 nan 8.230 nan 0.000 0.452 199 S N 0.197 115.909 115.700 0.020 0.000 2.515 199 S HA 0.075 4.545 4.470 0.002 0.000 0.285 199 S C -1.354 173.266 174.600 0.033 0.000 1.265 199 S CA -0.928 57.299 58.200 0.046 0.000 1.079 199 S CB 0.551 63.787 63.200 0.060 0.000 0.877 199 S HN 0.124 nan 8.310 nan 0.000 0.493 200 P HA -0.060 nan 4.420 nan 0.000 0.219 200 P C 1.144 178.394 177.300 -0.084 0.000 1.146 200 P CA 1.200 64.272 63.100 -0.047 0.000 0.808 200 P CB -0.051 31.585 31.700 -0.106 0.000 0.779 201 T N -4.908 109.623 114.554 -0.039 0.000 3.145 201 T HA 0.189 4.540 4.350 0.002 0.000 0.255 201 T C 0.669 175.396 174.700 0.046 0.000 1.039 201 T CA -0.538 61.545 62.100 -0.028 0.000 0.928 201 T CB -0.734 68.138 68.868 0.006 0.000 1.029 201 T HN -0.040 nan 8.240 nan 0.000 0.554 202 K N 0.896 121.328 120.400 0.053 0.000 3.278 202 K HA -0.206 4.115 4.320 0.002 0.000 0.270 202 K C -0.587 176.118 176.600 0.175 0.000 0.955 202 K CA 0.708 57.044 56.287 0.081 0.000 0.723 202 K CB -1.106 31.427 32.500 0.054 0.000 1.382 202 K HN 0.838 nan 8.250 nan 0.000 0.461 203 E N 1.105 121.398 120.200 0.155 0.000 2.308 203 E HA 0.437 4.788 4.350 0.002 0.000 0.275 203 E C -1.132 175.497 176.600 0.049 0.000 0.890 203 E CA -0.840 55.659 56.400 0.165 0.000 0.754 203 E CB 1.134 30.985 29.700 0.252 0.000 1.207 203 E HN 0.238 nan 8.360 nan 0.000 0.426 204 L N 3.739 124.946 121.223 -0.026 0.000 2.370 204 L HA 0.549 4.890 4.340 0.002 0.000 0.266 204 L C -1.038 175.799 176.870 -0.055 0.000 1.002 204 L CA -1.264 53.552 54.840 -0.040 0.000 0.818 204 L CB 1.774 43.798 42.059 -0.059 0.000 1.325 204 L HN 0.473 nan 8.230 nan 0.000 0.418 205 L N 3.462 124.664 121.223 -0.035 0.000 2.305 205 L HA 0.583 4.924 4.340 0.002 0.000 0.284 205 L C -0.824 176.036 176.870 -0.016 0.000 1.013 205 L CA -0.001 54.822 54.840 -0.029 0.000 0.819 205 L CB 1.380 43.428 42.059 -0.019 0.000 1.227 205 L HN 0.352 nan 8.230 nan 0.000 0.417 206 I N 4.554 125.122 120.570 -0.002 0.000 2.339 206 I HA 0.405 4.576 4.170 0.002 0.000 0.290 206 I C -0.748 175.363 176.117 -0.010 0.000 0.994 206 I CA -0.235 61.082 61.300 0.028 0.000 1.191 206 I CB 1.349 39.416 38.000 0.112 0.000 1.343 206 I HN 0.599 nan 8.210 nan 0.000 0.458 207 D N 4.341 124.727 120.400 -0.024 0.000 2.350 207 D HA 0.331 4.971 4.640 0.002 0.000 0.238 207 D C -0.591 175.663 176.300 -0.077 0.000 0.989 207 D CA -0.774 53.193 54.000 -0.055 0.000 0.921 207 D CB 1.201 41.964 40.800 -0.063 0.000 1.297 207 D HN 0.568 nan 8.370 nan 0.000 0.490 208 E N -0.206 119.936 120.200 -0.096 0.000 2.392 208 E HA 0.249 4.599 4.350 0.002 0.000 0.259 208 E C -0.309 176.217 176.600 -0.123 0.000 1.108 208 E CA -0.727 55.607 56.400 -0.109 0.000 0.916 208 E CB 0.929 30.567 29.700 -0.104 0.000 0.989 208 E HN 0.183 nan 8.360 nan 0.000 0.432 209 S N 1.350 116.986 115.700 -0.107 0.000 2.549 209 S HA 0.085 4.556 4.470 0.002 0.000 0.283 209 S C 0.339 174.815 174.600 -0.207 0.000 1.320 209 S CA -0.431 57.701 58.200 -0.114 0.000 1.058 209 S CB -0.030 63.143 63.200 -0.045 0.000 0.882 209 S HN 0.551 nan 8.310 nan 0.000 0.498 210 L N 5.059 126.116 121.223 -0.276 0.000 3.333 210 L HA 0.389 4.730 4.340 0.002 0.000 0.299 210 L C -0.205 176.508 176.870 -0.263 0.000 1.256 210 L CA -0.319 54.177 54.840 -0.573 0.000 1.037 210 L CB 0.092 41.651 42.059 -0.834 0.000 1.423 210 L HN 0.597 nan 8.230 nan 0.000 0.605 211 I N 1.313 121.839 120.570 -0.074 0.000 2.826 211 I HA -0.048 4.122 4.170 0.002 0.000 0.295 211 I C 1.545 177.737 176.117 0.126 0.000 1.213 211 I CA 1.641 62.964 61.300 0.039 0.000 1.436 211 I CB 0.364 38.409 38.000 0.074 0.000 1.348 211 I HN 0.453 nan 8.210 nan 0.000 0.570 212 G N 4.173 113.060 108.800 0.145 0.000 2.284 212 G HA2 -0.233 3.728 3.960 0.002 0.000 0.230 212 G HA3 -0.233 3.728 3.960 0.002 0.000 0.230 212 G C 0.016 175.103 174.900 0.311 0.000 1.021 212 G CA -0.530 44.673 45.100 0.172 0.000 0.619 212 G HN 0.485 nan 8.290 nan 0.000 0.510 213 W N 1.973 123.307 121.300 0.056 0.000 2.042 213 W HA 0.588 5.249 4.660 0.002 0.000 0.358 213 W C 1.167 177.734 176.519 0.080 0.000 1.325 213 W CA -0.295 57.101 57.345 0.085 0.000 1.311 213 W CB 0.302 29.816 29.460 0.091 0.000 1.210 213 W HN 0.062 nan 8.180 nan 0.000 0.620 214 K N 1.182 121.766 120.400 0.307 0.000 2.202 214 K HA 0.171 4.492 4.320 0.002 0.000 0.264 214 K C -0.447 176.246 176.600 0.156 0.000 1.010 214 K CA -0.480 55.907 56.287 0.168 0.000 0.940 214 K CB 0.937 33.537 32.500 0.166 0.000 0.983 214 K HN 0.360 nan 8.250 nan 0.000 0.475 215 E N 2.053 122.224 120.200 -0.048 0.000 2.187 215 E HA 0.271 4.622 4.350 0.002 0.000 0.268 215 E C -1.597 174.886 176.600 -0.196 0.000 0.896 215 E CA -0.528 55.873 56.400 0.002 0.000 0.766 215 E CB 0.768 30.479 29.700 0.019 0.000 1.142 215 E HN 0.349 nan 8.360 nan 0.000 0.408 216 Y N 1.522 121.922 120.300 0.168 0.000 2.576 216 Y HA 0.467 5.018 4.550 0.002 0.000 0.346 216 Y C -0.368 175.648 175.900 0.193 0.000 1.018 216 Y CA -0.829 57.370 58.100 0.164 0.000 1.050 216 Y CB 2.327 40.873 38.460 0.142 0.000 1.280 216 Y HN 0.447 nan 8.280 nan 0.000 0.474 217 E N 1.756 122.162 120.200 0.343 0.000 2.356 217 E HA 0.601 4.952 4.350 0.002 0.000 0.275 217 E C -1.536 175.194 176.600 0.217 0.000 0.904 217 E CA -0.926 55.620 56.400 0.243 0.000 0.757 217 E CB 3.042 32.813 29.700 0.120 0.000 1.232 217 E HN 0.464 nan 8.360 nan 0.000 0.442 218 M N 1.583 121.300 119.600 0.195 0.000 2.395 218 M HA 0.322 4.803 4.480 0.002 0.000 0.307 218 M C -1.005 175.337 176.300 0.069 0.000 1.091 218 M CA -0.864 54.508 55.300 0.120 0.000 0.919 218 M CB 2.153 34.813 32.600 0.101 0.000 1.662 218 M HN 0.291 nan 8.290 nan 0.000 0.440 219 E N 3.104 123.321 120.200 0.028 0.000 2.109 219 E HA 0.492 4.843 4.350 0.002 0.000 0.278 219 E C -1.162 175.413 176.600 -0.042 0.000 0.954 219 E CA -0.307 56.091 56.400 -0.002 0.000 0.779 219 E CB 1.674 31.361 29.700 -0.021 0.000 1.093 219 E HN 0.387 nan 8.360 nan 0.000 0.401 220 V N 1.968 121.866 119.914 -0.027 0.000 2.815 220 V HA 0.584 4.705 4.120 0.002 0.000 0.314 220 V C 0.098 176.171 176.094 -0.034 0.000 1.064 220 V CA -1.014 61.263 62.300 -0.038 0.000 0.952 220 V CB 2.162 33.985 31.823 -0.001 0.000 1.020 220 V HN 0.307 nan 8.190 nan 0.000 0.439 221 V N 3.221 123.110 119.914 -0.042 0.000 2.656 221 V HA 0.661 4.782 4.120 0.002 0.000 0.307 221 V C -0.291 175.816 176.094 0.022 0.000 1.051 221 V CA -0.653 61.648 62.300 0.001 0.000 0.893 221 V CB 1.965 33.795 31.823 0.011 0.000 0.999 221 V HN 0.934 nan 8.190 nan 0.000 0.426 222 R N 2.418 122.943 120.500 0.041 0.000 2.673 222 R HA 0.613 4.954 4.340 0.002 0.000 0.281 222 R C -1.616 174.718 176.300 0.056 0.000 0.991 222 R CA -0.491 55.635 56.100 0.043 0.000 0.896 222 R CB 2.125 32.445 30.300 0.033 0.000 1.201 222 R HN 0.964 nan 8.270 nan 0.000 0.457 223 D N 1.735 122.171 120.400 0.060 0.000 2.506 223 D HA 0.126 4.767 4.640 0.002 0.000 0.254 223 D C 0.478 176.810 176.300 0.052 0.000 1.089 223 D CA -0.783 53.257 54.000 0.067 0.000 1.050 223 D CB 1.016 41.868 40.800 0.087 0.000 1.221 223 D HN 0.583 nan 8.370 nan 0.000 0.589 224 K N -0.326 120.104 120.400 0.050 0.000 2.280 224 K HA -0.105 4.216 4.320 0.002 0.000 0.202 224 K C 0.448 177.069 176.600 0.035 0.000 1.047 224 K CA 0.911 57.220 56.287 0.037 0.000 0.942 224 K CB -0.370 32.148 32.500 0.030 0.000 0.739 224 K HN 0.123 nan 8.250 nan 0.000 0.457 225 N N 1.168 119.894 118.700 0.042 0.000 2.461 225 N HA -0.069 4.672 4.740 0.002 0.000 0.188 225 N C -0.439 175.092 175.510 0.035 0.000 1.134 225 N CA 0.940 54.013 53.050 0.038 0.000 0.878 225 N CB 0.075 38.588 38.487 0.044 0.000 0.972 225 N HN 0.372 nan 8.380 nan 0.000 0.456 226 D N -1.087 119.334 120.400 0.036 0.000 2.981 226 D HA -0.162 4.479 4.640 0.002 0.000 0.203 226 D C -0.874 175.447 176.300 0.036 0.000 1.049 226 D CA 0.348 54.367 54.000 0.032 0.000 1.003 226 D CB -1.531 39.285 40.800 0.025 0.000 1.085 226 D HN 0.132 nan 8.370 nan 0.000 0.432 227 N N 0.479 119.206 118.700 0.044 0.000 2.458 227 N HA 0.235 4.976 4.740 0.002 0.000 0.258 227 N C -0.250 175.286 175.510 0.044 0.000 1.219 227 N CA 0.389 53.468 53.050 0.049 0.000 0.902 227 N CB 1.042 39.568 38.487 0.064 0.000 1.076 227 N HN 0.350 nan 8.380 nan 0.000 0.455 228 C N 3.979 123.300 119.300 0.036 0.000 2.551 228 C HA 0.707 5.168 4.460 0.002 0.000 0.332 228 C C -0.572 174.422 174.990 0.006 0.000 1.139 228 C CA -0.758 58.273 59.018 0.022 0.000 1.328 228 C CB -0.683 27.068 27.740 0.018 0.000 1.903 228 C HN 0.721 nan 8.230 nan 0.000 0.459 229 I N 3.628 124.184 120.570 -0.022 0.000 2.785 229 I HA 0.679 4.850 4.170 0.002 0.000 0.302 229 I C -1.013 175.039 176.117 -0.108 0.000 1.069 229 I CA -0.863 60.396 61.300 -0.068 0.000 1.045 229 I CB 1.622 39.551 38.000 -0.118 0.000 1.236 229 I HN 0.261 nan 8.210 nan 0.000 0.429 230 I N 4.972 125.478 120.570 -0.107 0.000 2.312 230 I HA 0.163 4.333 4.170 0.002 0.000 0.291 230 I C 1.002 177.000 176.117 -0.198 0.000 1.031 230 I CA -0.299 60.940 61.300 -0.100 0.000 1.293 230 I CB 1.329 39.316 38.000 -0.022 0.000 1.403 230 I HN 0.585 nan 8.210 nan 0.000 0.484 231 V N 5.391 125.145 119.914 -0.267 0.000 2.649 231 V HA -0.020 4.101 4.120 0.002 0.000 0.248 231 V C 0.706 176.673 176.094 -0.212 0.000 1.054 231 V CA 1.009 63.051 62.300 -0.429 0.000 1.073 231 V CB 0.503 31.978 31.823 -0.580 0.000 0.699 231 V HN 0.887 nan 8.190 nan 0.000 0.463 232 C N -0.501 118.744 119.300 -0.092 0.000 3.284 232 C HA 0.600 5.061 4.460 0.002 0.000 0.338 232 C C -0.471 174.548 174.990 0.049 0.000 1.237 232 C CA -0.426 58.588 59.018 -0.008 0.000 1.276 232 C CB 1.366 29.110 27.740 0.007 0.000 1.601 232 C HN 0.453 nan 8.230 nan 0.000 0.494 233 S N 3.209 118.971 115.700 0.102 0.000 2.532 233 S HA 0.904 5.375 4.470 0.002 0.000 0.301 233 S C -1.102 173.595 174.600 0.162 0.000 1.083 233 S CA -0.610 57.683 58.200 0.155 0.000 1.025 233 S CB 1.383 64.744 63.200 0.268 0.000 1.056 233 S HN 0.719 nan 8.310 nan 0.000 0.494 234 I N 1.089 121.777 120.570 0.197 0.000 2.569 234 I HA 0.423 4.594 4.170 0.002 0.000 0.290 234 I C -0.588 175.657 176.117 0.213 0.000 1.088 234 I CA -0.398 61.007 61.300 0.174 0.000 1.047 234 I CB 2.292 40.366 38.000 0.122 0.000 1.237 234 I HN 0.790 nan 8.210 nan 0.000 0.421 235 E N 6.191 126.488 120.200 0.161 0.000 2.158 235 E HA 0.358 4.709 4.350 0.002 0.000 0.271 235 E C -0.918 175.676 176.600 -0.010 0.000 0.911 235 E CA -0.572 55.826 56.400 -0.004 0.000 0.767 235 E CB 1.159 30.924 29.700 0.108 0.000 1.120 235 E HN 0.558 nan 8.360 nan 0.000 0.405 236 N N 3.692 122.316 118.700 -0.126 0.000 2.530 236 N HA 0.081 4.822 4.740 0.002 0.000 0.277 236 N C 0.093 175.586 175.510 -0.029 0.000 1.168 236 N CA -0.209 52.822 53.050 -0.032 0.000 0.979 236 N CB 0.733 39.204 38.487 -0.028 0.000 1.141 236 N HN 0.503 nan 8.380 nan 0.000 0.459 237 F N 1.414 121.208 119.950 -0.260 0.000 2.147 237 F HA 0.048 4.576 4.527 0.001 0.000 0.291 237 F C 0.638 176.331 175.800 -0.179 0.000 1.093 237 F CA 0.744 58.459 58.000 -0.475 0.000 1.263 237 F CB 0.230 38.907 39.000 -0.538 0.000 1.036 237 F HN 0.396 nan 8.300 nan 0.000 0.481 238 D N 1.611 122.127 120.400 0.195 0.000 2.382 238 D HA 0.280 4.921 4.640 0.002 0.000 0.245 238 D C 0.303 176.625 176.300 0.037 0.000 1.120 238 D CA 0.381 54.451 54.000 0.117 0.000 0.890 238 D CB 1.320 42.230 40.800 0.183 0.000 1.201 238 D HN 0.304 nan 8.370 nan 0.000 0.433 239 A N 2.875 125.707 122.820 0.020 0.000 2.267 239 A HA 0.247 4.568 4.320 0.002 0.000 0.271 239 A C 0.720 178.340 177.584 0.060 0.000 1.131 239 A CA -0.499 51.563 52.037 0.041 0.000 0.818 239 A CB 0.274 19.302 19.000 0.046 0.000 1.118 239 A HN 0.520 nan 8.150 nan 0.000 0.501 240 M N 0.003 119.654 119.600 0.086 0.000 2.251 240 M HA 0.253 4.734 4.480 0.002 0.000 0.343 240 M C 1.361 177.696 176.300 0.057 0.000 1.245 240 M CA 1.950 57.291 55.300 0.068 0.000 1.061 240 M CB -0.251 32.401 32.600 0.087 0.000 1.723 240 M HN 1.468 nan 8.290 nan 0.000 0.449 241 G N 3.485 112.311 108.800 0.043 0.000 2.255 241 G HA2 -0.153 3.808 3.960 0.002 0.000 0.196 241 G HA3 -0.153 3.808 3.960 0.002 0.000 0.196 241 G C -0.012 174.938 174.900 0.084 0.000 0.998 241 G CA -0.594 44.541 45.100 0.058 0.000 0.656 241 G HN 0.564 nan 8.290 nan 0.000 0.490 242 I N 2.103 122.725 120.570 0.087 0.000 2.439 242 I HA 0.329 4.500 4.170 0.002 0.000 0.285 242 I C 0.529 176.730 176.117 0.139 0.000 1.021 242 I CA -1.069 60.308 61.300 0.128 0.000 1.091 242 I CB 1.423 39.503 38.000 0.133 0.000 1.242 242 I HN 0.166 nan 8.210 nan 0.000 0.439 243 H N 4.868 123.988 119.070 0.082 0.000 3.092 243 H HA -0.089 4.468 4.556 0.002 0.000 0.332 243 H C 1.273 176.643 175.328 0.070 0.000 1.029 243 H CA 1.441 57.527 56.048 0.064 0.000 1.376 243 H CB 1.230 31.028 29.762 0.060 0.000 1.329 243 H HN 0.866 nan 8.280 nan 0.000 0.598 244 T N 0.745 115.184 114.554 -0.193 0.000 2.778 244 T HA -0.155 4.196 4.350 0.002 0.000 0.269 244 T C 2.089 176.897 174.700 0.179 0.000 1.050 244 T CA 1.274 63.368 62.100 -0.010 0.000 1.137 244 T CB -0.588 68.219 68.868 -0.101 0.000 0.860 244 T HN 0.625 nan 8.240 nan 0.000 0.468 245 G N 0.683 109.772 108.800 0.482 0.000 2.448 245 G HA2 -0.029 3.932 3.960 0.002 0.000 0.218 245 G HA3 -0.029 3.932 3.960 0.002 0.000 0.218 245 G C 1.055 176.044 174.900 0.148 0.000 1.135 245 G CA 0.620 45.879 45.100 0.264 0.000 0.784 245 G HN 0.509 nan 8.290 nan 0.000 0.543 246 D N -0.124 120.424 120.400 0.246 0.000 2.363 246 D HA 0.242 4.883 4.640 0.002 0.000 0.214 246 D C 0.556 177.053 176.300 0.327 0.000 1.093 246 D CA 0.046 54.234 54.000 0.314 0.000 0.837 246 D CB 0.704 41.774 40.800 0.451 0.000 0.948 246 D HN 0.073 nan 8.370 nan 0.000 0.507 247 S N -0.168 115.657 115.700 0.209 0.000 2.638 247 S HA 0.488 4.959 4.470 0.002 0.000 0.298 247 S C 0.376 175.035 174.600 0.098 0.000 1.111 247 S CA -0.659 57.642 58.200 0.168 0.000 1.027 247 S CB 1.793 65.069 63.200 0.126 0.000 1.064 247 S HN 0.028 nan 8.310 nan 0.000 0.525 248 I N 2.489 123.095 120.570 0.060 0.000 2.474 248 I HA 0.292 4.463 4.170 0.002 0.000 0.287 248 I C 0.626 176.733 176.117 -0.017 0.000 1.048 248 I CA 0.107 61.358 61.300 -0.082 0.000 1.383 248 I CB 1.070 38.828 38.000 -0.403 0.000 1.412 248 I HN 0.694 nan 8.210 nan 0.000 0.531 249 T N 3.476 118.018 114.554 -0.021 0.000 2.883 249 T HA 0.801 5.151 4.350 0.002 0.000 0.296 249 T C -0.553 174.171 174.700 0.038 0.000 1.117 249 T CA -0.760 61.353 62.100 0.023 0.000 1.006 249 T CB 1.888 70.779 68.868 0.039 0.000 1.191 249 T HN 0.455 nan 8.240 nan 0.000 0.508 250 V N -2.134 117.839 119.914 0.098 0.000 3.130 250 V HA 1.040 5.160 4.120 0.002 0.000 0.310 250 V C -0.647 175.531 176.094 0.140 0.000 1.158 250 V CA -1.266 61.116 62.300 0.136 0.000 1.029 250 V CB 1.229 33.204 31.823 0.253 0.000 1.057 250 V HN 1.617 nan 8.190 nan 0.000 0.436 251 A N 2.886 125.780 122.820 0.123 0.000 2.414 251 A HA 1.040 5.361 4.320 0.002 0.000 0.306 251 A C -2.923 174.713 177.584 0.087 0.000 1.054 251 A CA -1.781 50.318 52.037 0.104 0.000 0.724 251 A CB 1.966 21.016 19.000 0.083 0.000 1.267 251 A HN 0.783 nan 8.150 nan 0.000 0.418 252 P HA 0.507 nan 4.420 nan 0.000 0.306 252 P C 0.123 177.481 177.300 0.096 0.000 1.309 252 P CA -0.238 62.900 63.100 0.063 0.000 0.759 252 P CB 0.700 32.400 31.700 -0.001 0.000 1.314 253 A N 0.278 123.187 122.820 0.148 0.000 2.448 253 A HA 0.084 4.404 4.320 0.002 0.000 0.239 253 A C 1.099 178.689 177.584 0.010 0.000 1.080 253 A CA 0.361 52.520 52.037 0.204 0.000 0.779 253 A CB -0.318 18.869 19.000 0.312 0.000 1.026 253 A HN 0.487 nan 8.150 nan 0.000 0.499 254 Q N -0.256 119.483 119.800 -0.100 0.000 2.532 254 Q HA 0.018 4.359 4.340 0.002 0.000 0.247 254 Q C 1.473 177.155 176.000 -0.530 0.000 0.872 254 Q CA 1.621 57.135 55.803 -0.483 0.000 0.963 254 Q CB -0.194 27.873 28.738 -1.117 0.000 1.159 254 Q HN 0.990 nan 8.270 nan 0.000 0.598 255 T N -1.457 112.895 114.554 -0.337 0.000 3.223 255 T HA 0.474 4.824 4.350 0.002 0.000 0.259 255 T C 0.477 175.118 174.700 -0.099 0.000 1.015 255 T CA -0.124 61.826 62.100 -0.250 0.000 0.908 255 T CB -0.415 68.321 68.868 -0.219 0.000 1.054 255 T HN -0.102 nan 8.240 nan 0.000 0.567 256 L N 2.386 123.554 121.223 -0.092 0.000 2.334 256 L HA 0.535 4.876 4.340 0.002 0.000 0.276 256 L C 0.795 177.610 176.870 -0.091 0.000 1.014 256 L CA -1.149 53.632 54.840 -0.098 0.000 0.815 256 L CB 1.949 43.929 42.059 -0.132 0.000 1.268 256 L HN 0.258 nan 8.230 nan 0.000 0.428 257 T N -2.995 111.511 114.554 -0.082 0.000 2.813 257 T HA 0.021 4.372 4.350 0.002 0.000 0.297 257 T C 0.671 175.340 174.700 -0.051 0.000 1.036 257 T CA -0.519 61.537 62.100 -0.072 0.000 1.044 257 T CB 1.225 70.055 68.868 -0.063 0.000 0.993 257 T HN 0.669 nan 8.240 nan 0.000 0.535 258 D N 0.122 120.486 120.400 -0.060 0.000 2.149 258 D HA -0.102 4.539 4.640 0.002 0.000 0.198 258 D C 1.993 178.295 176.300 0.004 0.000 0.990 258 D CA 1.353 55.327 54.000 -0.043 0.000 0.839 258 D CB -0.054 40.707 40.800 -0.064 0.000 0.948 258 D HN 0.627 nan 8.370 nan 0.000 0.460 259 K N -0.070 120.315 120.400 -0.024 0.000 2.032 259 K HA -0.154 4.167 4.320 0.002 0.000 0.209 259 K C 2.136 178.712 176.600 -0.041 0.000 1.048 259 K CA 1.427 57.697 56.287 -0.028 0.000 0.927 259 K CB -0.044 32.433 32.500 -0.038 0.000 0.712 259 K HN 0.280 nan 8.250 nan 0.000 0.441 260 E N -0.504 119.661 120.200 -0.058 0.000 2.106 260 E HA -0.203 4.148 4.350 0.002 0.000 0.192 260 E C 1.785 178.298 176.600 -0.146 0.000 0.984 260 E CA 0.937 57.270 56.400 -0.111 0.000 0.806 260 E CB -0.122 29.495 29.700 -0.138 0.000 0.750 260 E HN 0.326 nan 8.360 nan 0.000 0.458 261 Y N 1.840 122.011 120.300 -0.215 0.000 2.224 261 Y HA -0.247 4.304 4.550 0.002 0.000 0.289 261 Y C 2.247 178.029 175.900 -0.198 0.000 1.146 261 Y CA 1.427 59.387 58.100 -0.232 0.000 1.182 261 Y CB 0.195 38.547 38.460 -0.179 0.000 0.983 261 Y HN -0.049 nan 8.280 nan 0.000 0.524 262 Q N 0.337 120.159 119.800 0.036 0.000 2.084 262 Q HA -0.162 4.179 4.340 0.002 0.000 0.202 262 Q C 2.440 178.363 176.000 -0.129 0.000 0.978 262 Q CA 1.884 57.678 55.803 -0.015 0.000 0.844 262 Q CB -0.511 28.241 28.738 0.023 0.000 0.898 262 Q HN 0.618 nan 8.270 nan 0.000 0.426 263 I N 0.346 120.826 120.570 -0.150 0.000 2.226 263 I HA -0.269 3.901 4.170 0.002 0.000 0.245 263 I C 2.515 178.467 176.117 -0.275 0.000 1.100 263 I CA 1.094 62.294 61.300 -0.167 0.000 1.374 263 I CB -0.239 37.674 38.000 -0.146 0.000 1.057 263 I HN 0.214 nan 8.210 nan 0.000 0.413 264 M N 0.576 119.903 119.600 -0.456 0.000 2.200 264 M HA -0.201 4.280 4.480 0.002 0.000 0.265 264 M C 2.505 178.471 176.300 -0.557 0.000 1.066 264 M CA 1.571 56.424 55.300 -0.745 0.000 1.127 264 M CB -0.123 31.888 32.600 -0.982 0.000 1.379 264 M HN 0.044 nan 8.290 nan 0.000 0.420 265 R N 0.218 120.418 120.500 -0.500 0.000 2.081 265 R HA -0.138 4.203 4.340 0.002 0.000 0.235 265 R C 1.536 177.753 176.300 -0.139 0.000 1.131 265 R CA 2.299 58.211 56.100 -0.315 0.000 0.960 265 R CB -0.435 29.717 30.300 -0.247 0.000 0.856 265 R HN 0.573 nan 8.270 nan 0.000 0.436 266 N N -0.216 118.411 118.700 -0.122 0.000 2.188 266 N HA -0.119 4.622 4.740 0.002 0.000 0.184 266 N C 1.730 177.231 175.510 -0.016 0.000 1.018 266 N CA 0.911 53.928 53.050 -0.054 0.000 0.858 266 N CB -0.086 38.372 38.487 -0.049 0.000 0.989 266 N HN 0.294 nan 8.380 nan 0.000 0.426 267 A N 0.584 123.393 122.820 -0.018 0.000 1.930 267 A HA -0.065 4.255 4.320 0.002 0.000 0.217 267 A C 2.320 180.024 177.584 0.201 0.000 1.175 267 A CA 1.214 53.306 52.037 0.092 0.000 0.627 267 A CB -0.443 18.636 19.000 0.131 0.000 0.815 267 A HN 0.142 nan 8.150 nan 0.000 0.443 268 S N -0.097 115.736 115.700 0.222 0.000 2.359 268 S HA -0.189 4.282 4.470 0.002 0.000 0.224 268 S C 2.077 176.741 174.600 0.106 0.000 1.035 268 S CA 1.864 60.208 58.200 0.240 0.000 1.018 268 S CB -0.424 62.877 63.200 0.169 0.000 0.876 268 S HN 0.601 nan 8.310 nan 0.000 0.448 269 M N 1.204 120.838 119.600 0.056 0.000 2.067 269 M HA -0.087 4.394 4.480 0.002 0.000 0.260 269 M C 2.621 178.940 176.300 0.033 0.000 1.069 269 M CA 1.531 56.851 55.300 0.033 0.000 1.117 269 M CB -0.903 31.706 32.600 0.015 0.000 1.334 269 M HN 0.379 nan 8.290 nan 0.000 0.407 270 A N 0.373 123.212 122.820 0.032 0.000 1.917 270 A HA -0.131 4.190 4.320 0.002 0.000 0.219 270 A C 2.332 179.926 177.584 0.016 0.000 1.182 270 A CA 1.983 54.032 52.037 0.019 0.000 0.633 270 A CB -1.157 17.852 19.000 0.014 0.000 0.819 270 A HN 0.320 nan 8.150 nan 0.000 0.448 271 V N -0.610 119.326 119.914 0.037 0.000 2.295 271 V HA -0.246 3.875 4.120 0.002 0.000 0.246 271 V C 2.525 178.642 176.094 0.039 0.000 1.049 271 V CA 2.026 64.344 62.300 0.030 0.000 1.024 271 V CB -0.730 31.134 31.823 0.067 0.000 0.648 271 V HN 0.507 nan 8.190 nan 0.000 0.447 272 L N -0.407 120.842 121.223 0.043 0.000 2.046 272 L HA -0.137 4.204 4.340 0.002 0.000 0.208 272 L C 2.590 179.476 176.870 0.026 0.000 1.077 272 L CA 1.885 56.747 54.840 0.038 0.000 0.747 272 L CB -0.767 41.312 42.059 0.033 0.000 0.896 272 L HN 0.216 nan 8.230 nan 0.000 0.432 273 R N -0.764 119.747 120.500 0.019 0.000 2.091 273 R HA -0.219 4.122 4.340 0.002 0.000 0.238 273 R C 2.214 178.516 176.300 0.005 0.000 1.136 273 R CA 1.498 57.605 56.100 0.012 0.000 0.959 273 R CB -0.324 29.982 30.300 0.010 0.000 0.856 273 R HN 0.292 nan 8.270 nan 0.000 0.437 274 E N 0.941 121.138 120.200 -0.004 0.000 2.072 274 E HA -0.134 4.217 4.350 0.002 0.000 0.191 274 E C 1.619 178.212 176.600 -0.013 0.000 0.985 274 E CA 1.087 57.474 56.400 -0.021 0.000 0.801 274 E CB -0.016 29.652 29.700 -0.053 0.000 0.750 274 E HN 0.074 nan 8.360 nan 0.000 0.452 275 I N 0.063 120.638 120.570 0.007 0.000 2.546 275 I HA 0.110 4.281 4.170 0.002 0.000 0.255 275 I C 1.682 177.814 176.117 0.025 0.000 1.163 275 I CA 1.350 62.668 61.300 0.030 0.000 1.457 275 I CB -0.901 37.145 38.000 0.075 0.000 1.092 275 I HN 0.396 nan 8.210 nan 0.000 0.434 276 G N 0.381 109.193 108.800 0.020 0.000 2.131 276 G HA2 -0.176 3.785 3.960 0.002 0.000 0.201 276 G HA3 -0.176 3.785 3.960 0.002 0.000 0.201 276 G C 0.209 175.121 174.900 0.021 0.000 1.000 276 G CA 0.060 45.171 45.100 0.018 0.000 0.680 276 G HN 0.135 nan 8.290 nan 0.000 0.514 277 V N 1.034 120.963 119.914 0.024 0.000 2.427 277 V HA 0.342 4.463 4.120 0.002 0.000 0.268 277 V C 1.092 177.201 176.094 0.025 0.000 1.046 277 V CA 0.468 62.782 62.300 0.025 0.000 0.970 277 V CB 1.264 33.103 31.823 0.026 0.000 1.001 277 V HN 0.458 nan 8.190 nan 0.000 0.476 278 E N 2.518 122.733 120.200 0.024 0.000 2.514 278 E HA 0.078 4.429 4.350 0.002 0.000 0.215 278 E C 0.599 177.218 176.600 0.032 0.000 0.946 278 E CA 0.530 56.946 56.400 0.026 0.000 1.038 278 E CB 1.054 30.767 29.700 0.022 0.000 1.069 278 E HN 0.812 nan 8.360 nan 0.000 0.503 279 T N -1.134 113.439 114.554 0.032 0.000 3.839 279 T HA 0.608 4.959 4.350 0.002 0.000 0.230 279 T C 0.138 174.864 174.700 0.044 0.000 1.095 279 T CA -0.192 61.932 62.100 0.040 0.000 1.470 279 T CB 0.857 69.743 68.868 0.031 0.000 0.881 279 T HN 0.161 nan 8.240 nan 0.000 0.637 280 G N -0.160 108.669 108.800 0.049 0.000 2.364 280 G HA2 0.645 4.606 3.960 0.002 0.000 0.286 280 G HA3 0.645 4.606 3.960 0.002 0.000 0.286 280 G C -0.698 174.234 174.900 0.054 0.000 1.241 280 G CA -0.176 44.957 45.100 0.055 0.000 0.887 280 G HN 0.637 nan 8.290 nan 0.000 0.484 281 G N -0.974 107.859 108.800 0.055 0.000 2.471 281 G HA2 0.700 4.661 3.960 0.002 0.000 0.332 281 G HA3 0.700 4.661 3.960 0.002 0.000 0.332 281 G C -0.651 174.271 174.900 0.037 0.000 1.176 281 G CA 0.212 45.339 45.100 0.045 0.000 0.949 281 G HN 1.258 nan 8.290 nan 0.000 0.488 282 S N -0.697 115.019 115.700 0.027 0.000 2.588 282 S HA 0.414 4.885 4.470 0.002 0.000 0.269 282 S C -1.070 173.539 174.600 0.015 0.000 1.157 282 S CA -0.974 57.237 58.200 0.019 0.000 0.824 282 S CB 1.964 65.172 63.200 0.014 0.000 1.126 282 S HN 0.778 nan 8.310 nan 0.000 0.464 283 N N 1.077 119.779 118.700 0.003 0.000 2.372 283 N HA 0.555 5.296 4.740 0.002 0.000 0.291 283 N C -1.624 173.863 175.510 -0.037 0.000 1.024 283 N CA -0.301 52.748 53.050 -0.000 0.000 0.873 283 N CB 1.375 39.863 38.487 0.002 0.000 1.206 283 N HN 0.379 nan 8.380 nan 0.000 0.486 284 V N 2.910 122.806 119.914 -0.030 0.000 2.448 284 V HA 0.360 4.481 4.120 0.002 0.000 0.295 284 V C -0.188 175.779 176.094 -0.212 0.000 1.025 284 V CA -0.769 61.444 62.300 -0.145 0.000 0.859 284 V CB 1.531 33.289 31.823 -0.109 0.000 0.988 284 V HN 0.647 nan 8.190 nan 0.000 0.431 285 Q N 3.079 122.667 119.800 -0.352 0.000 2.274 285 Q HA 0.751 5.092 4.340 0.002 0.000 0.260 285 Q C -1.588 174.152 176.000 -0.433 0.000 0.974 285 Q CA -0.336 55.328 55.803 -0.231 0.000 0.876 285 Q CB 2.456 31.100 28.738 -0.158 0.000 1.297 285 Q HN 0.664 nan 8.270 nan 0.000 0.446 286 F N -0.092 119.917 119.950 0.099 0.000 2.650 286 F HA 0.762 5.290 4.527 0.002 0.000 0.320 286 F C -0.447 175.469 175.800 0.194 0.000 1.091 286 F CA -1.086 56.992 58.000 0.131 0.000 0.962 286 F CB 1.637 40.709 39.000 0.120 0.000 1.363 286 F HN 0.501 nan 8.300 nan 0.000 0.482 287 A N 0.901 123.990 122.820 0.450 0.000 2.355 287 A HA 0.843 5.164 4.320 0.002 0.000 0.317 287 A C -1.740 176.196 177.584 0.585 0.000 1.094 287 A CA -0.712 51.602 52.037 0.461 0.000 0.764 287 A CB 1.421 20.617 19.000 0.327 0.000 1.230 287 A HN 0.532 nan 8.150 nan 0.000 0.448 288 V N 2.935 123.188 119.914 0.565 0.000 2.531 288 V HA 0.294 4.415 4.120 0.002 0.000 0.301 288 V C -0.379 175.714 176.094 -0.002 0.000 1.034 288 V CA -0.933 61.554 62.300 0.311 0.000 0.865 288 V CB 1.890 33.863 31.823 0.250 0.000 0.995 288 V HN 0.915 nan 8.190 nan 0.000 0.424 289 N N 7.480 125.821 118.700 -0.598 0.000 2.420 289 N HA 0.231 4.972 4.740 0.002 0.000 0.262 289 N C -1.306 173.912 175.510 -0.487 0.000 1.144 289 N CA -1.893 50.417 53.050 -1.234 0.000 0.952 289 N CB 1.781 39.353 38.487 -1.524 0.000 1.081 289 N HN 0.315 nan 8.380 nan 0.000 0.480 290 P HA -0.116 nan 4.420 nan 0.000 0.225 290 P C 0.478 177.703 177.300 -0.125 0.000 1.148 290 P CA 1.225 64.258 63.100 -0.112 0.000 0.779 290 P CB 0.461 32.162 31.700 0.001 0.000 0.780 291 K N -0.063 120.229 120.400 -0.180 0.000 2.228 291 K HA -0.038 4.283 4.320 0.002 0.000 0.202 291 K C 0.835 177.360 176.600 -0.125 0.000 1.051 291 K CA 1.376 57.583 56.287 -0.133 0.000 0.960 291 K CB -0.095 32.331 32.500 -0.122 0.000 0.743 291 K HN 0.281 nan 8.250 nan 0.000 0.458 292 N N -2.431 116.172 118.700 -0.160 0.000 2.073 292 N HA 0.085 4.826 4.740 0.002 0.000 0.227 292 N C 0.520 175.962 175.510 -0.113 0.000 1.367 292 N CA 0.311 53.291 53.050 -0.116 0.000 0.775 292 N CB 0.651 39.078 38.487 -0.100 0.000 1.234 292 N HN 0.070 nan 8.380 nan 0.000 0.512 293 G N 0.997 109.717 108.800 -0.134 0.000 2.189 293 G HA2 -0.416 3.544 3.960 0.002 0.000 0.267 293 G HA3 -0.416 3.544 3.960 0.002 0.000 0.267 293 G C 0.073 174.920 174.900 -0.089 0.000 0.975 293 G CA 0.345 45.380 45.100 -0.108 0.000 0.644 293 G HN 0.676 nan 8.290 nan 0.000 0.537 294 R N -0.045 120.391 120.500 -0.107 0.000 2.480 294 R HA 0.325 4.666 4.340 0.002 0.000 0.303 294 R C 0.023 176.384 176.300 0.102 0.000 0.985 294 R CA -0.217 55.879 56.100 -0.007 0.000 1.051 294 R CB 0.020 30.331 30.300 0.018 0.000 0.935 294 R HN 0.337 nan 8.270 nan 0.000 0.410 295 L N 6.684 127.984 121.223 0.128 0.000 2.282 295 L HA 0.462 4.802 4.340 0.002 0.000 0.288 295 L C -0.839 176.191 176.870 0.266 0.000 1.033 295 L CA -0.208 54.742 54.840 0.184 0.000 0.807 295 L CB 1.310 43.397 42.059 0.046 0.000 1.209 295 L HN 0.580 nan 8.230 nan 0.000 0.423 296 I N 5.866 126.646 120.570 0.350 0.000 2.418 296 I HA 0.295 4.466 4.170 0.002 0.000 0.287 296 I C -0.655 175.624 176.117 0.269 0.000 1.008 296 I CA -0.999 60.459 61.300 0.262 0.000 1.104 296 I CB 2.020 40.124 38.000 0.175 0.000 1.264 296 I HN 0.253 nan 8.210 nan 0.000 0.438 297 V N 6.749 126.771 119.914 0.179 0.000 2.470 297 V HA 0.127 4.248 4.120 0.002 0.000 0.276 297 V C 1.141 177.252 176.094 0.027 0.000 1.040 297 V CA -0.044 62.273 62.300 0.029 0.000 1.008 297 V CB 1.305 33.141 31.823 0.022 0.000 0.990 297 V HN 0.603 nan 8.190 nan 0.000 0.477 298 I N 2.948 123.467 120.570 -0.086 0.000 2.810 298 I HA 0.214 4.385 4.170 0.002 0.000 0.262 298 I C 0.980 177.019 176.117 -0.131 0.000 1.131 298 I CA 0.884 62.147 61.300 -0.062 0.000 1.453 298 I CB 0.105 38.054 38.000 -0.084 0.000 1.161 298 I HN 0.997 nan 8.210 nan 0.000 0.444 299 E N 0.971 121.001 120.200 -0.283 0.000 2.429 299 E HA 0.474 4.825 4.350 0.002 0.000 0.277 299 E C -0.897 175.343 176.600 -0.600 0.000 1.130 299 E CA -0.902 55.091 56.400 -0.677 0.000 0.875 299 E CB 1.568 30.954 29.700 -0.523 0.000 1.443 299 E HN 0.007 nan 8.360 nan 0.000 0.444 300 M N 0.758 119.913 119.600 -0.743 0.000 2.421 300 M HA 0.605 5.086 4.480 0.002 0.000 0.287 300 M C -2.149 173.975 176.300 -0.293 0.000 1.183 300 M CA -0.452 54.635 55.300 -0.354 0.000 0.916 300 M CB 2.516 35.055 32.600 -0.103 0.000 1.701 300 M HN 0.377 nan 8.290 nan 0.000 0.470 301 N N 3.805 122.410 118.700 -0.158 0.000 2.569 301 N HA 0.393 5.134 4.740 0.002 0.000 0.254 301 N C -2.664 172.814 175.510 -0.054 0.000 1.004 301 N CA -1.167 51.818 53.050 -0.108 0.000 0.904 301 N CB 1.788 40.241 38.487 -0.058 0.000 1.165 301 N HN 0.553 nan 8.380 nan 0.000 0.513 302 P HA 0.047 nan 4.420 nan 0.000 0.238 302 P C -0.442 176.857 177.300 -0.002 0.000 1.714 302 P CA 0.301 63.388 63.100 -0.022 0.000 0.908 302 P CB -0.221 31.459 31.700 -0.032 0.000 1.893 303 R N -2.081 118.431 120.500 0.019 0.000 2.888 303 R HA 0.449 4.790 4.340 0.002 0.000 0.277 303 R C -0.807 175.549 176.300 0.092 0.000 0.981 303 R CA -1.099 55.029 56.100 0.046 0.000 0.841 303 R CB -0.196 30.122 30.300 0.029 0.000 1.405 303 R HN -0.157 nan 8.270 nan 0.000 0.472 304 V N -0.235 119.765 119.914 0.144 0.000 3.003 304 V HA 0.758 4.879 4.120 0.002 0.000 0.305 304 V C 0.143 176.424 176.094 0.312 0.000 1.078 304 V CA 0.391 62.810 62.300 0.198 0.000 1.083 304 V CB 1.099 33.043 31.823 0.201 0.000 1.039 304 V HN 1.034 nan 8.190 nan 0.000 0.481 305 S N 2.504 118.338 115.700 0.223 0.000 2.819 305 S HA 0.481 4.952 4.470 0.002 0.000 0.299 305 S C 0.685 175.278 174.600 -0.013 0.000 1.192 305 S CA -0.500 57.826 58.200 0.210 0.000 0.847 305 S CB 1.549 64.835 63.200 0.143 0.000 1.224 305 S HN 1.077 nan 8.310 nan 0.000 0.537 306 R N 0.344 120.834 120.500 -0.017 0.000 2.148 306 R HA 0.104 4.445 4.340 0.002 0.000 0.223 306 R C 1.388 177.676 176.300 -0.020 0.000 1.088 306 R CA 1.635 57.678 56.100 -0.095 0.000 0.985 306 R CB -0.834 29.429 30.300 -0.060 0.000 0.880 306 R HN 0.437 nan 8.270 nan 0.000 0.451 307 S N 1.255 116.971 115.700 0.027 0.000 2.414 307 S HA -0.105 4.366 4.470 0.002 0.000 0.227 307 S C 1.985 176.615 174.600 0.050 0.000 1.022 307 S CA 1.185 59.408 58.200 0.039 0.000 0.958 307 S CB 0.086 63.313 63.200 0.046 0.000 0.797 307 S HN 0.631 nan 8.310 nan 0.000 0.493 308 S N 2.083 117.820 115.700 0.063 0.000 2.428 308 S HA 0.116 4.586 4.470 0.002 0.000 0.230 308 S C 1.936 176.615 174.600 0.131 0.000 1.014 308 S CA 0.723 58.978 58.200 0.091 0.000 0.957 308 S CB -0.332 62.930 63.200 0.102 0.000 0.784 308 S HN 0.453 nan 8.310 nan 0.000 0.499 309 A N 1.943 124.825 122.820 0.103 0.000 1.872 309 A HA 0.167 4.487 4.320 0.002 0.000 0.214 309 A C 2.205 179.815 177.584 0.043 0.000 1.187 309 A CA 1.352 53.465 52.037 0.128 0.000 0.614 309 A CB -0.974 18.037 19.000 0.018 0.000 0.826 309 A HN 0.574 nan 8.150 nan 0.000 0.442 310 L N 0.068 121.304 121.223 0.021 0.000 1.990 310 L HA -0.154 4.187 4.340 0.002 0.000 0.213 310 L C 2.652 179.554 176.870 0.052 0.000 1.072 310 L CA 2.477 57.331 54.840 0.022 0.000 0.755 310 L CB -0.694 41.376 42.059 0.019 0.000 0.889 310 L HN 0.344 nan 8.230 nan 0.000 0.432 311 A N -1.280 121.583 122.820 0.073 0.000 1.948 311 A HA -0.233 4.088 4.320 0.002 0.000 0.220 311 A C 2.356 180.027 177.584 0.145 0.000 1.177 311 A CA 2.247 54.337 52.037 0.088 0.000 0.636 311 A CB -0.995 18.044 19.000 0.064 0.000 0.815 311 A HN 0.611 nan 8.150 nan 0.000 0.449 312 S N -0.228 115.589 115.700 0.195 0.000 2.371 312 S HA -0.088 4.383 4.470 0.002 0.000 0.224 312 S C 1.962 176.745 174.600 0.305 0.000 1.029 312 S CA 1.212 59.594 58.200 0.305 0.000 0.978 312 S CB -0.143 63.297 63.200 0.399 0.000 0.833 312 S HN 0.511 nan 8.310 nan 0.000 0.466 313 K N 2.137 122.651 120.400 0.191 0.000 2.057 313 K HA 0.133 4.454 4.320 0.002 0.000 0.206 313 K C 2.354 179.044 176.600 0.150 0.000 1.050 313 K CA 1.255 57.653 56.287 0.186 0.000 0.935 313 K CB -0.893 31.654 32.500 0.079 0.000 0.715 313 K HN 0.360 nan 8.250 nan 0.000 0.439 314 A N 1.282 124.150 122.820 0.081 0.000 1.902 314 A HA -0.150 4.171 4.320 0.002 0.000 0.217 314 A C 2.287 179.990 177.584 0.198 0.000 1.181 314 A CA 2.617 54.700 52.037 0.076 0.000 0.623 314 A CB -0.799 18.250 19.000 0.081 0.000 0.818 314 A HN 0.513 nan 8.150 nan 0.000 0.443 315 T N -5.508 109.181 114.554 0.224 0.000 3.014 315 T HA 0.417 4.768 4.350 0.002 0.000 0.250 315 T C 1.446 176.346 174.700 0.333 0.000 1.060 315 T CA 1.118 63.371 62.100 0.256 0.000 1.040 315 T CB 0.301 69.288 68.868 0.199 0.000 0.971 315 T HN 1.754 nan 8.240 nan 0.000 0.497 316 G N 1.187 110.236 108.800 0.415 0.000 2.159 316 G HA2 -0.222 3.739 3.960 0.002 0.000 0.256 316 G HA3 -0.222 3.739 3.960 0.002 0.000 0.256 316 G C -0.210 174.968 174.900 0.463 0.000 0.977 316 G CA 0.041 45.426 45.100 0.475 0.000 0.652 316 G HN 0.652 nan 8.290 nan 0.000 0.531 317 F N 3.495 123.617 119.950 0.287 0.000 2.361 317 F HA 0.604 5.132 4.527 0.002 0.000 0.364 317 F C -1.994 173.952 175.800 0.244 0.000 1.120 317 F CA -3.374 54.770 58.000 0.239 0.000 1.102 317 F CB 1.613 40.685 39.000 0.119 0.000 1.183 317 F HN -0.058 nan 8.300 nan 0.000 0.476 318 P HA 0.135 nan 4.420 nan 0.000 0.260 318 P C 1.218 178.681 177.300 0.270 0.000 1.651 318 P CA 0.287 63.554 63.100 0.280 0.000 1.139 318 P CB 0.104 31.891 31.700 0.145 0.000 1.756 319 I N 2.182 122.997 120.570 0.408 0.000 2.091 319 I HA -0.353 3.817 4.170 0.002 0.000 0.239 319 I C 2.357 178.583 176.117 0.182 0.000 1.061 319 I CA 2.039 63.547 61.300 0.346 0.000 1.317 319 I CB -0.889 37.258 38.000 0.245 0.000 1.031 319 I HN 0.216 nan 8.210 nan 0.000 0.401 320 A N 0.516 123.388 122.820 0.087 0.000 1.892 320 A HA -0.287 4.034 4.320 0.002 0.000 0.218 320 A C 2.348 179.927 177.584 -0.007 0.000 1.188 320 A CA 2.146 54.187 52.037 0.007 0.000 0.631 320 A CB -0.612 18.320 19.000 -0.113 0.000 0.822 320 A HN 0.334 nan 8.150 nan 0.000 0.447 321 K N -0.729 119.651 120.400 -0.033 0.000 2.009 321 K HA -0.097 4.224 4.320 0.002 0.000 0.210 321 K C 1.931 178.532 176.600 0.001 0.000 1.049 321 K CA 1.606 57.873 56.287 -0.035 0.000 0.929 321 K CB -0.367 32.101 32.500 -0.052 0.000 0.714 321 K HN 0.268 nan 8.250 nan 0.000 0.440 322 V N 0.998 120.932 119.914 0.033 0.000 2.233 322 V HA -0.303 3.818 4.120 0.002 0.000 0.247 322 V C 2.281 178.427 176.094 0.088 0.000 1.050 322 V CA 2.135 64.472 62.300 0.060 0.000 1.010 322 V CB -0.797 31.105 31.823 0.132 0.000 0.637 322 V HN 0.469 nan 8.190 nan 0.000 0.444 323 A N -0.082 122.800 122.820 0.104 0.000 1.948 323 A HA -0.243 4.078 4.320 0.002 0.000 0.220 323 A C 2.411 180.029 177.584 0.057 0.000 1.177 323 A CA 2.530 54.618 52.037 0.084 0.000 0.636 323 A CB -0.888 18.160 19.000 0.080 0.000 0.815 323 A HN 0.646 nan 8.150 nan 0.000 0.449 324 A N -0.345 122.497 122.820 0.037 0.000 1.902 324 A HA -0.183 4.138 4.320 0.002 0.000 0.217 324 A C 2.124 179.732 177.584 0.039 0.000 1.181 324 A CA 1.793 53.840 52.037 0.016 0.000 0.623 324 A CB -0.429 18.570 19.000 -0.001 0.000 0.818 324 A HN 0.549 nan 8.150 nan 0.000 0.443 325 K N -0.948 119.498 120.400 0.077 0.000 2.097 325 K HA -0.066 4.254 4.320 0.002 0.000 0.205 325 K C 1.676 178.431 176.600 0.258 0.000 1.050 325 K CA 1.052 57.451 56.287 0.186 0.000 0.938 325 K CB -0.311 32.225 32.500 0.059 0.000 0.718 325 K HN 0.310 nan 8.250 nan 0.000 0.442 326 L N 0.772 122.089 121.223 0.157 0.000 2.156 326 L HA -0.056 4.285 4.340 0.002 0.000 0.208 326 L C 2.336 179.252 176.870 0.077 0.000 1.095 326 L CA 1.366 56.288 54.840 0.137 0.000 0.770 326 L CB -0.927 41.195 42.059 0.105 0.000 0.914 326 L HN 0.100 nan 8.230 nan 0.000 0.439 327 A N -0.461 122.385 122.820 0.044 0.000 1.972 327 A HA -0.114 4.207 4.320 0.002 0.000 0.219 327 A C 1.719 179.276 177.584 -0.045 0.000 1.169 327 A CA 1.622 53.656 52.037 -0.004 0.000 0.635 327 A CB -0.779 18.207 19.000 -0.024 0.000 0.810 327 A HN 0.301 nan 8.150 nan 0.000 0.446 328 V N -4.023 115.856 119.914 -0.057 0.000 3.189 328 V HA 0.608 4.729 4.120 0.002 0.000 0.366 328 V C 1.110 177.146 176.094 -0.097 0.000 1.313 328 V CA 0.484 62.709 62.300 -0.127 0.000 1.302 328 V CB -0.998 30.647 31.823 -0.296 0.000 1.260 328 V HN 1.298 nan 8.190 nan 0.000 0.484 329 G N -0.545 108.220 108.800 -0.058 0.000 2.279 329 G HA2 -0.281 3.680 3.960 0.002 0.000 0.223 329 G HA3 -0.281 3.680 3.960 0.002 0.000 0.223 329 G C -0.061 174.764 174.900 -0.125 0.000 1.015 329 G CA 0.083 45.117 45.100 -0.110 0.000 0.621 329 G HN 0.551 nan 8.290 nan 0.000 0.506 330 Y N 2.428 122.755 120.300 0.046 0.000 2.385 330 Y HA 0.459 5.010 4.550 0.001 0.000 0.346 330 Y C 1.496 177.424 175.900 0.046 0.000 1.270 330 Y CA 0.837 58.966 58.100 0.048 0.000 1.472 330 Y CB 0.688 39.178 38.460 0.051 0.000 1.354 330 Y HN 0.323 nan 8.280 nan 0.000 0.611 331 T N -1.349 113.360 114.554 0.258 0.000 2.918 331 T HA 0.401 4.752 4.350 0.002 0.000 0.286 331 T C 0.852 175.643 174.700 0.153 0.000 1.026 331 T CA -0.916 61.281 62.100 0.161 0.000 1.031 331 T CB 1.030 69.967 68.868 0.115 0.000 1.046 331 T HN 0.614 nan 8.240 nan 0.000 0.479 332 L N 1.021 122.322 121.223 0.130 0.000 2.043 332 L HA -0.131 4.210 4.340 0.002 0.000 0.212 332 L C 2.647 179.587 176.870 0.117 0.000 1.075 332 L CA 1.882 56.802 54.840 0.134 0.000 0.752 332 L CB -0.638 41.512 42.059 0.152 0.000 0.891 332 L HN 0.836 nan 8.230 nan 0.000 0.432 333 D N -0.064 120.400 120.400 0.106 0.000 2.263 333 D HA -0.219 4.422 4.640 0.002 0.000 0.208 333 D C 1.453 177.794 176.300 0.069 0.000 0.971 333 D CA 1.199 55.250 54.000 0.085 0.000 0.867 333 D CB -0.276 40.570 40.800 0.076 0.000 0.929 333 D HN 0.542 nan 8.370 nan 0.000 0.492 334 E N 0.149 120.402 120.200 0.088 0.000 2.318 334 E HA 0.141 4.492 4.350 0.002 0.000 0.193 334 E C 0.754 177.359 176.600 0.009 0.000 0.998 334 E CA -0.032 56.418 56.400 0.083 0.000 0.859 334 E CB 0.333 30.139 29.700 0.176 0.000 0.812 334 E HN 0.285 nan 8.360 nan 0.000 0.492 335 L N 1.408 122.622 121.223 -0.016 0.000 2.399 335 L HA 0.244 4.584 4.340 0.002 0.000 0.266 335 L C 0.209 177.044 176.870 -0.058 0.000 1.114 335 L CA -0.686 54.098 54.840 -0.092 0.000 0.804 335 L CB 0.667 42.670 42.059 -0.093 0.000 1.146 335 L HN 0.050 nan 8.230 nan 0.000 0.451 336 M N 1.831 121.380 119.600 -0.085 0.000 2.409 336 M HA 0.236 4.717 4.480 0.002 0.000 0.329 336 M C -0.271 175.977 176.300 -0.086 0.000 1.180 336 M CA -0.901 54.352 55.300 -0.079 0.000 1.053 336 M CB 0.831 33.384 32.600 -0.078 0.000 1.586 336 M HN 0.368 nan 8.290 nan 0.000 0.461 337 N N 1.245 119.887 118.700 -0.098 0.000 2.430 337 N HA 0.055 4.796 4.740 0.002 0.000 0.265 337 N C 0.357 175.819 175.510 -0.081 0.000 1.100 337 N CA 0.210 53.207 53.050 -0.088 0.000 0.961 337 N CB 0.647 39.079 38.487 -0.090 0.000 1.075 337 N HN 0.425 nan 8.380 nan 0.000 0.478 338 D N 2.697 123.064 120.400 -0.056 0.000 2.156 338 D HA -0.218 4.423 4.640 0.002 0.000 0.190 338 D C 1.680 177.947 176.300 -0.055 0.000 0.998 338 D CA 1.932 55.928 54.000 -0.007 0.000 0.842 338 D CB -0.138 40.739 40.800 0.127 0.000 0.974 338 D HN 0.767 nan 8.370 nan 0.000 0.447 339 I N -0.964 119.537 120.570 -0.114 0.000 2.830 339 I HA -0.061 4.110 4.170 0.002 0.000 0.263 339 I C 1.143 177.217 176.117 -0.071 0.000 1.230 339 I CA 1.196 62.404 61.300 -0.153 0.000 1.480 339 I CB -0.883 36.969 38.000 -0.246 0.000 1.095 339 I HN -0.084 nan 8.210 nan 0.000 0.455 340 T N -0.622 113.892 114.554 -0.066 0.000 3.434 340 T HA 0.373 4.724 4.350 0.002 0.000 0.249 340 T C 1.342 176.001 174.700 -0.070 0.000 1.050 340 T CA 0.172 62.233 62.100 -0.065 0.000 0.952 340 T CB -0.807 67.971 68.868 -0.151 0.000 1.046 340 T HN 0.708 nan 8.240 nan 0.000 0.590 341 G N 0.947 109.716 108.800 -0.053 0.000 2.323 341 G HA2 0.028 3.989 3.960 0.002 0.000 0.292 341 G HA3 0.028 3.989 3.960 0.002 0.000 0.292 341 G C 1.082 175.949 174.900 -0.055 0.000 1.040 341 G CA 0.061 45.136 45.100 -0.040 0.000 0.942 341 G HN 1.725 nan 8.290 nan 0.000 0.506 342 G N -1.209 107.549 108.800 -0.071 0.000 2.244 342 G HA2 -0.400 3.561 3.960 0.002 0.000 0.274 342 G HA3 -0.400 3.561 3.960 0.002 0.000 0.274 342 G C 1.281 176.117 174.900 -0.106 0.000 1.002 342 G CA 1.576 46.627 45.100 -0.081 0.000 0.740 342 G HN 0.953 nan 8.290 nan 0.000 0.516 343 R N -0.080 120.338 120.500 -0.136 0.000 2.062 343 R HA 0.134 4.475 4.340 0.002 0.000 0.229 343 R C 2.118 178.266 176.300 -0.254 0.000 1.128 343 R CA 1.587 57.588 56.100 -0.165 0.000 0.960 343 R CB -0.222 29.995 30.300 -0.139 0.000 0.855 343 R HN 0.614 nan 8.270 nan 0.000 0.432 344 T N -0.916 113.417 114.554 -0.368 0.000 2.936 344 T HA 0.470 4.821 4.350 0.002 0.000 0.282 344 T C -2.555 171.985 174.700 -0.267 0.000 1.003 344 T CA -2.342 59.494 62.100 -0.440 0.000 1.005 344 T CB 2.236 70.618 68.868 -0.810 0.000 1.097 344 T HN -0.164 nan 8.240 nan 0.000 0.532 345 P HA 0.420 nan 4.420 nan 0.000 0.284 345 P C 0.083 177.444 177.300 0.102 0.000 1.292 345 P CA -0.663 62.416 63.100 -0.035 0.000 0.800 345 P CB 0.822 32.537 31.700 0.024 0.000 1.188 346 A N -0.138 122.775 122.820 0.155 0.000 2.238 346 A HA 0.055 4.376 4.320 0.002 0.000 0.208 346 A C 0.993 178.847 177.584 0.449 0.000 1.177 346 A CA 0.400 52.608 52.037 0.285 0.000 0.804 346 A CB -1.201 17.837 19.000 0.062 0.000 0.823 346 A HN 0.526 nan 8.150 nan 0.000 0.482 347 S N 0.948 116.854 115.700 0.344 0.000 3.483 347 S HA 0.553 5.024 4.470 0.002 0.000 0.274 347 S C -0.404 174.430 174.600 0.391 0.000 1.289 347 S CA -0.594 57.779 58.200 0.288 0.000 0.938 347 S CB -1.222 62.085 63.200 0.178 0.000 1.453 347 S HN 0.814 nan 8.310 nan 0.000 0.494 348 F N -1.777 118.273 119.950 0.167 0.000 2.773 348 F HA 0.645 5.173 4.527 0.002 0.000 0.314 348 F C -1.342 174.535 175.800 0.128 0.000 1.160 348 F CA -1.370 56.707 58.000 0.129 0.000 0.920 348 F CB 0.745 39.812 39.000 0.113 0.000 1.323 348 F HN 0.183 nan 8.300 nan 0.000 0.457 349 E N 2.756 122.860 120.200 -0.160 0.000 2.134 349 E HA 0.411 4.762 4.350 0.002 0.000 0.278 349 E C -2.583 173.916 176.600 -0.168 0.000 0.959 349 E CA -1.976 54.270 56.400 -0.256 0.000 0.783 349 E CB 1.442 31.101 29.700 -0.069 0.000 1.095 349 E HN 0.306 nan 8.360 nan 0.000 0.399 350 P HA -0.001 nan 4.420 nan 0.000 0.271 350 P C -0.781 176.571 177.300 0.087 0.000 1.218 350 P CA -0.181 62.959 63.100 0.068 0.000 0.780 350 P CB 0.863 32.595 31.700 0.055 0.000 0.901 351 S N 1.889 117.672 115.700 0.139 0.000 2.561 351 S HA 0.696 5.167 4.470 0.002 0.000 0.303 351 S C -0.412 174.161 174.600 -0.045 0.000 1.110 351 S CA -0.816 57.399 58.200 0.026 0.000 1.034 351 S CB -0.173 63.052 63.200 0.041 0.000 1.010 351 S HN 0.349 nan 8.310 nan 0.000 0.482 352 I N 1.677 122.134 120.570 -0.188 0.000 2.648 352 I HA 0.690 4.861 4.170 0.002 0.000 0.304 352 I C -0.718 175.121 176.117 -0.464 0.000 1.009 352 I CA -0.953 60.075 61.300 -0.453 0.000 1.114 352 I CB 2.044 39.550 38.000 -0.824 0.000 1.293 352 I HN 0.499 nan 8.210 nan 0.000 0.449 353 D N 3.926 124.014 120.400 -0.520 0.000 3.035 353 D HA 0.287 4.928 4.640 0.002 0.000 0.290 353 D C -0.650 175.577 176.300 -0.122 0.000 1.360 353 D CA -0.176 53.695 54.000 -0.215 0.000 0.862 353 D CB -0.243 40.545 40.800 -0.019 0.000 1.078 353 D HN 0.681 nan 8.370 nan 0.000 0.487 354 Y N -3.291 117.006 120.300 -0.004 0.000 2.871 354 Y HA 0.671 5.222 4.550 0.001 0.000 0.331 354 Y C -1.613 174.258 175.900 -0.048 0.000 1.378 354 Y CA -1.768 56.308 58.100 -0.041 0.000 1.079 354 Y CB 0.597 38.941 38.460 -0.192 0.000 1.441 354 Y HN -0.204 nan 8.280 nan 0.000 0.446 355 V N 1.799 121.867 119.914 0.256 0.000 2.540 355 V HA 0.664 4.785 4.120 0.002 0.000 0.302 355 V C -0.810 175.372 176.094 0.147 0.000 1.035 355 V CA -0.872 61.541 62.300 0.187 0.000 0.873 355 V CB 1.555 33.493 31.823 0.191 0.000 0.992 355 V HN 0.670 nan 8.190 nan 0.000 0.428 356 V N 3.698 123.692 119.914 0.133 0.000 2.435 356 V HA 0.611 4.731 4.120 0.002 0.000 0.290 356 V C 0.133 176.257 176.094 0.050 0.000 1.030 356 V CA -0.212 62.113 62.300 0.042 0.000 0.881 356 V CB 1.964 33.807 31.823 0.033 0.000 0.983 356 V HN 0.973 nan 8.190 nan 0.000 0.445 357 T N 4.986 119.544 114.554 0.007 0.000 2.861 357 T HA 0.485 4.836 4.350 0.002 0.000 0.287 357 T C -0.631 174.057 174.700 -0.020 0.000 1.003 357 T CA -0.730 61.372 62.100 0.003 0.000 0.977 357 T CB 1.731 70.594 68.868 -0.010 0.000 0.996 357 T HN 0.663 nan 8.240 nan 0.000 0.448 358 K N 3.631 124.015 120.400 -0.027 0.000 2.345 358 K HA 0.634 4.955 4.320 0.002 0.000 0.255 358 K C -1.522 175.043 176.600 -0.057 0.000 0.934 358 K CA -0.706 55.566 56.287 -0.024 0.000 0.801 358 K CB 1.236 33.733 32.500 -0.004 0.000 1.137 358 K HN 0.623 nan 8.250 nan 0.000 0.424 359 I N 5.290 125.826 120.570 -0.055 0.000 2.498 359 I HA 0.359 4.530 4.170 0.002 0.000 0.290 359 I C -2.306 173.779 176.117 -0.053 0.000 1.032 359 I CA -2.677 58.580 61.300 -0.072 0.000 1.073 359 I CB 2.260 40.195 38.000 -0.108 0.000 1.251 359 I HN 0.479 nan 8.210 nan 0.000 0.426 360 P HA 0.257 nan 4.420 nan 0.000 0.277 360 P C -1.011 176.118 177.300 -0.285 0.000 1.240 360 P CA -0.611 62.358 63.100 -0.217 0.000 0.798 360 P CB 0.860 32.355 31.700 -0.342 0.000 0.979 361 R N 1.892 122.166 120.500 -0.376 0.000 2.338 361 R HA 0.597 4.938 4.340 0.002 0.000 0.317 361 R C -1.104 174.906 176.300 -0.483 0.000 0.968 361 R CA -0.401 55.553 56.100 -0.244 0.000 0.849 361 R CB -0.295 29.940 30.300 -0.109 0.000 1.128 361 R HN 0.295 nan 8.270 nan 0.000 0.448 362 F N 1.659 121.634 119.950 0.042 0.000 2.572 362 F HA 0.469 4.997 4.527 0.002 0.000 0.342 362 F C 0.683 176.448 175.800 -0.058 0.000 1.064 362 F CA -0.721 57.249 58.000 -0.050 0.000 1.008 362 F CB 1.785 40.799 39.000 0.023 0.000 1.303 362 F HN 0.549 nan 8.300 nan 0.000 0.492 363 N N -0.337 118.392 118.700 0.048 0.000 2.577 363 N HA 0.191 4.932 4.740 0.002 0.000 0.285 363 N C 0.095 175.650 175.510 0.075 0.000 1.658 363 N CA 0.024 53.111 53.050 0.062 0.000 0.865 363 N CB 0.115 38.651 38.487 0.081 0.000 1.419 363 N HN 0.363 nan 8.380 nan 0.000 0.495 364 F N 1.551 121.617 119.950 0.193 0.000 2.373 364 F HA -0.154 4.373 4.527 0.001 0.000 0.300 364 F C 2.651 178.456 175.800 0.009 0.000 1.080 364 F CA 0.881 58.946 58.000 0.108 0.000 1.417 364 F CB 0.147 39.176 39.000 0.048 0.000 1.070 364 F HN 0.323 nan 8.300 nan 0.000 0.546 365 E N 1.082 121.358 120.200 0.126 0.000 2.347 365 E HA -0.174 4.177 4.350 0.002 0.000 0.196 365 E C 1.274 177.785 176.600 -0.149 0.000 1.008 365 E CA 1.015 57.417 56.400 0.002 0.000 0.852 365 E CB -0.554 29.141 29.700 -0.008 0.000 0.783 365 E HN 0.373 nan 8.360 nan 0.000 0.505 366 K N -0.156 120.032 120.400 -0.353 0.000 2.444 366 K HA 0.129 4.450 4.320 0.002 0.000 0.193 366 K C -0.360 175.542 176.600 -1.162 0.000 1.024 366 K CA 0.078 55.922 56.287 -0.738 0.000 1.077 366 K CB 0.201 32.118 32.500 -0.973 0.000 0.833 366 K HN 0.036 nan 8.250 nan 0.000 0.517 367 F N 0.114 119.989 119.950 -0.125 0.000 2.523 367 F HA 0.333 4.860 4.527 0.001 0.000 0.322 367 F C 1.059 176.812 175.800 -0.078 0.000 1.361 367 F CA -0.998 56.907 58.000 -0.157 0.000 1.151 367 F CB 0.208 38.889 39.000 -0.531 0.000 1.391 367 F HN -0.130 nan 8.300 nan 0.000 0.566 368 A N 1.553 124.404 122.820 0.051 0.000 2.127 368 A HA -0.286 4.035 4.320 0.002 0.000 0.225 368 A C 2.467 180.092 177.584 0.068 0.000 1.543 368 A CA 2.358 54.422 52.037 0.045 0.000 0.873 368 A CB -1.359 17.657 19.000 0.026 0.000 0.808 368 A HN 0.757 nan 8.150 nan 0.000 0.510 369 G N -0.698 108.149 108.800 0.078 0.000 2.687 369 G HA2 0.320 4.281 3.960 0.002 0.000 0.209 369 G HA3 0.320 4.281 3.960 0.002 0.000 0.209 369 G C 0.544 175.502 174.900 0.096 0.000 1.146 369 G CA 0.972 46.115 45.100 0.071 0.000 0.787 369 G HN 1.103 nan 8.290 nan 0.000 0.532 370 A N 0.144 123.038 122.820 0.123 0.000 2.351 370 A HA 0.424 4.744 4.320 0.002 0.000 0.257 370 A C 0.562 178.209 177.584 0.104 0.000 1.087 370 A CA -0.639 51.493 52.037 0.159 0.000 0.798 370 A CB 0.373 19.438 19.000 0.108 0.000 1.033 370 A HN 0.247 nan 8.150 nan 0.000 0.488 371 N N 1.184 119.965 118.700 0.135 0.000 2.431 371 N HA 0.017 4.758 4.740 0.002 0.000 0.265 371 N C -0.622 174.871 175.510 -0.028 0.000 1.184 371 N CA 0.062 53.138 53.050 0.045 0.000 0.943 371 N CB 0.869 39.405 38.487 0.082 0.000 1.080 371 N HN 0.599 nan 8.380 nan 0.000 0.477 372 D N 2.421 122.636 120.400 -0.308 0.000 2.427 372 D HA 0.093 4.734 4.640 0.002 0.000 0.224 372 D C -0.112 175.743 176.300 -0.742 0.000 1.157 372 D CA -0.205 53.230 54.000 -0.941 0.000 0.828 372 D CB 0.207 40.352 40.800 -1.092 0.000 0.974 372 D HN 0.204 nan 8.370 nan 0.000 0.498 373 R N 0.508 120.818 120.500 -0.316 0.000 2.500 373 R HA 0.463 4.804 4.340 0.002 0.000 0.277 373 R C 0.232 176.499 176.300 -0.055 0.000 1.026 373 R CA -0.751 55.239 56.100 -0.184 0.000 1.058 373 R CB 1.347 31.587 30.300 -0.100 0.000 1.078 373 R HN 0.161 nan 8.270 nan 0.000 0.509 374 L N 0.940 122.151 121.223 -0.019 0.000 2.349 374 L HA 0.359 4.700 4.340 0.002 0.000 0.275 374 L C 1.113 178.049 176.870 0.110 0.000 1.115 374 L CA 0.015 54.903 54.840 0.081 0.000 0.820 374 L CB 1.114 43.222 42.059 0.083 0.000 1.135 374 L HN 0.653 nan 8.230 nan 0.000 0.445 375 T N -1.113 113.530 114.554 0.148 0.000 2.587 375 T HA 0.167 4.518 4.350 0.002 0.000 0.282 375 T C 0.986 175.776 174.700 0.151 0.000 1.018 375 T CA 0.413 62.595 62.100 0.136 0.000 1.120 375 T CB 1.087 70.027 68.868 0.120 0.000 1.538 375 T HN 0.714 nan 8.240 nan 0.000 0.480 376 T N -0.457 114.170 114.554 0.122 0.000 3.055 376 T HA 0.149 4.500 4.350 0.002 0.000 0.265 376 T C 0.799 175.595 174.700 0.160 0.000 1.111 376 T CA 0.534 62.722 62.100 0.147 0.000 1.118 376 T CB -0.138 68.784 68.868 0.090 0.000 0.909 376 T HN 0.511 nan 8.240 nan 0.000 0.501 377 Q N 1.329 121.173 119.800 0.075 0.000 2.303 377 Q HA 0.367 4.708 4.340 0.002 0.000 0.257 377 Q C -0.437 175.535 176.000 -0.047 0.000 0.941 377 Q CA -0.490 55.302 55.803 -0.019 0.000 0.931 377 Q CB 0.773 29.486 28.738 -0.041 0.000 1.215 377 Q HN 0.442 nan 8.270 nan 0.000 0.437 378 M N 3.491 122.962 119.600 -0.215 0.000 2.246 378 M HA -0.075 4.406 4.480 0.002 0.000 0.327 378 M C 0.530 176.795 176.300 -0.057 0.000 1.090 378 M CA 1.361 56.572 55.300 -0.149 0.000 1.087 378 M CB 0.360 32.794 32.600 -0.277 0.000 1.587 378 M HN 0.584 nan 8.290 nan 0.000 0.444 379 K N -0.168 120.294 120.400 0.104 0.000 2.558 379 K HA 0.109 4.429 4.320 0.002 0.000 0.215 379 K C 0.034 176.702 176.600 0.114 0.000 1.298 379 K CA -0.074 56.292 56.287 0.130 0.000 1.008 379 K CB 0.860 33.614 32.500 0.423 0.000 1.073 379 K HN 0.795 nan 8.250 nan 0.000 0.606 380 S N 0.494 116.196 115.700 0.004 0.000 2.585 380 S HA 0.116 4.586 4.470 0.002 0.000 0.273 380 S C 1.149 175.609 174.600 -0.234 0.000 1.339 380 S CA -0.657 57.316 58.200 -0.378 0.000 1.028 380 S CB 1.492 64.195 63.200 -0.828 0.000 0.906 380 S HN 0.049 nan 8.310 nan 0.000 0.528 381 V N -1.316 118.459 119.914 -0.231 0.000 3.578 381 V HA 0.660 4.781 4.120 0.002 0.000 0.290 381 V C 0.785 176.807 176.094 -0.120 0.000 1.376 381 V CA 0.580 62.805 62.300 -0.124 0.000 1.083 381 V CB -0.834 30.958 31.823 -0.052 0.000 0.911 381 V HN 1.201 nan 8.190 nan 0.000 0.433 382 G N 0.456 109.153 108.800 -0.173 0.000 2.490 382 G HA2 0.623 4.584 3.960 0.002 0.000 0.308 382 G HA3 0.623 4.584 3.960 0.002 0.000 0.308 382 G C -1.711 173.100 174.900 -0.148 0.000 1.286 382 G CA -0.016 45.010 45.100 -0.124 0.000 0.825 382 G HN 0.692 nan 8.290 nan 0.000 0.479 383 E N -1.954 118.191 120.200 -0.093 0.000 2.388 383 E HA 0.598 4.949 4.350 0.002 0.000 0.280 383 E C -2.113 174.474 176.600 -0.022 0.000 1.019 383 E CA -0.911 55.447 56.400 -0.071 0.000 0.806 383 E CB 2.224 31.887 29.700 -0.062 0.000 1.246 383 E HN 0.875 nan 8.360 nan 0.000 0.443 384 V N 2.336 122.250 119.914 0.000 0.000 2.960 384 V HA 0.757 4.878 4.120 0.002 0.000 0.315 384 V C -0.973 175.170 176.094 0.081 0.000 1.087 384 V CA -0.785 61.542 62.300 0.046 0.000 0.982 384 V CB 2.018 33.864 31.823 0.038 0.000 1.039 384 V HN 0.859 nan 8.190 nan 0.000 0.437 385 M N 4.541 124.253 119.600 0.187 0.000 2.572 385 M HA 0.890 5.371 4.480 0.002 0.000 0.299 385 M C -1.298 175.130 176.300 0.214 0.000 1.205 385 M CA -0.442 54.960 55.300 0.171 0.000 0.876 385 M CB 2.117 34.817 32.600 0.167 0.000 1.728 385 M HN 0.868 nan 8.290 nan 0.000 0.458 386 A N 4.024 126.876 122.820 0.052 0.000 2.515 386 A HA 0.841 5.162 4.320 0.002 0.000 0.298 386 A C -1.663 175.855 177.584 -0.110 0.000 1.059 386 A CA -0.725 51.332 52.037 0.034 0.000 0.698 386 A CB 1.477 20.501 19.000 0.039 0.000 1.289 386 A HN 0.857 nan 8.150 nan 0.000 0.404 387 I N 1.450 121.910 120.570 -0.184 0.000 2.436 387 I HA 0.633 4.804 4.170 0.002 0.000 0.289 387 I C 0.514 176.452 176.117 -0.298 0.000 1.010 387 I CA -0.391 60.640 61.300 -0.449 0.000 1.098 387 I CB 2.236 39.605 38.000 -1.052 0.000 1.266 387 I HN 0.785 nan 8.210 nan 0.000 0.434 388 G N 4.240 112.928 108.800 -0.186 0.000 2.619 388 G HA2 0.392 4.353 3.960 0.002 0.000 0.296 388 G HA3 0.392 4.353 3.960 0.002 0.000 0.296 388 G C 0.220 175.180 174.900 0.100 0.000 1.334 388 G CA -0.532 44.581 45.100 0.020 0.000 0.934 388 G HN 0.467 nan 8.290 nan 0.000 0.476 389 R N -0.772 119.850 120.500 0.204 0.000 2.189 389 R HA 0.019 4.360 4.340 0.002 0.000 0.223 389 R C 1.105 177.502 176.300 0.161 0.000 1.092 389 R CA 1.359 57.590 56.100 0.217 0.000 0.989 389 R CB -0.200 30.230 30.300 0.217 0.000 0.876 389 R HN 0.702 nan 8.270 nan 0.000 0.457 390 T N -4.175 110.461 114.554 0.137 0.000 2.887 390 T HA 0.204 4.555 4.350 0.002 0.000 0.292 390 T C 0.728 175.504 174.700 0.127 0.000 1.087 390 T CA -0.894 61.281 62.100 0.125 0.000 1.009 390 T CB 2.252 71.173 68.868 0.088 0.000 1.203 390 T HN -0.181 nan 8.240 nan 0.000 0.518 391 Q N 0.364 120.255 119.800 0.152 0.000 2.124 391 Q HA -0.112 4.229 4.340 0.002 0.000 0.202 391 Q C 2.172 178.239 176.000 0.112 0.000 0.977 391 Q CA 1.982 57.898 55.803 0.189 0.000 0.850 391 Q CB -0.443 28.465 28.738 0.283 0.000 0.901 391 Q HN 0.799 nan 8.270 nan 0.000 0.429 392 Q N -0.214 119.614 119.800 0.047 0.000 2.079 392 Q HA -0.163 4.178 4.340 0.002 0.000 0.200 392 Q C 2.005 178.006 176.000 0.002 0.000 0.974 392 Q CA 1.459 57.271 55.803 0.015 0.000 0.840 392 Q CB -0.121 28.598 28.738 -0.031 0.000 0.898 392 Q HN 0.536 nan 8.270 nan 0.000 0.430 393 E N 0.107 120.322 120.200 0.025 0.000 2.051 393 E HA -0.216 4.135 4.350 0.002 0.000 0.192 393 E C 2.060 178.681 176.600 0.036 0.000 0.991 393 E CA 1.227 57.647 56.400 0.034 0.000 0.799 393 E CB -0.046 29.706 29.700 0.087 0.000 0.748 393 E HN 0.162 nan 8.360 nan 0.000 0.449 394 S N 0.101 115.830 115.700 0.049 0.000 2.353 394 S HA -0.196 4.275 4.470 0.002 0.000 0.222 394 S C 1.993 176.595 174.600 0.004 0.000 1.035 394 S CA 1.371 59.590 58.200 0.031 0.000 1.025 394 S CB -0.423 62.811 63.200 0.057 0.000 0.902 394 S HN 0.350 nan 8.310 nan 0.000 0.440 395 L N 1.851 123.077 121.223 0.005 0.000 1.989 395 L HA -0.114 4.227 4.340 0.002 0.000 0.211 395 L C 2.491 179.289 176.870 -0.121 0.000 1.071 395 L CA 2.061 56.867 54.840 -0.056 0.000 0.749 395 L CB -1.015 41.043 42.059 -0.001 0.000 0.890 395 L HN 0.392 nan 8.230 nan 0.000 0.431 396 Q N -0.621 119.123 119.800 -0.094 0.000 2.124 396 Q HA -0.230 4.111 4.340 0.002 0.000 0.202 396 Q C 2.279 178.227 176.000 -0.086 0.000 0.977 396 Q CA 1.720 57.439 55.803 -0.140 0.000 0.850 396 Q CB -0.103 28.537 28.738 -0.164 0.000 0.901 396 Q HN 0.573 nan 8.270 nan 0.000 0.429 397 K N 0.235 120.617 120.400 -0.030 0.000 2.097 397 K HA -0.091 4.230 4.320 0.002 0.000 0.205 397 K C 2.070 178.676 176.600 0.010 0.000 1.050 397 K CA 1.016 57.314 56.287 0.019 0.000 0.938 397 K CB -0.090 32.445 32.500 0.059 0.000 0.718 397 K HN 0.110 nan 8.250 nan 0.000 0.442 398 A N 1.336 124.143 122.820 -0.022 0.000 1.902 398 A HA -0.130 4.191 4.320 0.002 0.000 0.217 398 A C 2.069 179.623 177.584 -0.050 0.000 1.181 398 A CA 1.198 53.219 52.037 -0.026 0.000 0.623 398 A CB -0.616 18.345 19.000 -0.065 0.000 0.818 398 A HN 0.166 nan 8.150 nan 0.000 0.443 399 L N -0.426 120.724 121.223 -0.123 0.000 2.127 399 L HA -0.222 4.119 4.340 0.002 0.000 0.211 399 L C 2.707 179.582 176.870 0.008 0.000 1.089 399 L CA 1.841 56.605 54.840 -0.126 0.000 0.757 399 L CB -0.402 41.456 42.059 -0.336 0.000 0.899 399 L HN 0.604 nan 8.230 nan 0.000 0.434 400 R N -0.575 119.928 120.500 0.006 0.000 2.276 400 R HA 0.079 4.420 4.340 0.002 0.000 0.196 400 R C 1.916 178.243 176.300 0.045 0.000 0.961 400 R CA 0.845 56.969 56.100 0.040 0.000 1.024 400 R CB -0.519 29.806 30.300 0.042 0.000 0.940 400 R HN 0.131 nan 8.270 nan 0.000 0.480 401 G N 0.959 109.784 108.800 0.042 0.000 2.683 401 G HA2 -0.085 3.876 3.960 0.002 0.000 0.213 401 G HA3 -0.085 3.876 3.960 0.002 0.000 0.213 401 G C 1.108 176.031 174.900 0.038 0.000 1.142 401 G CA -0.250 44.877 45.100 0.044 0.000 0.793 401 G HN 0.195 nan 8.290 nan 0.000 0.534 402 L N 0.677 121.931 121.223 0.051 0.000 2.456 402 L HA 0.099 4.440 4.340 0.002 0.000 0.224 402 L C 1.099 178.000 176.870 0.052 0.000 1.148 402 L CA 0.722 55.600 54.840 0.063 0.000 0.825 402 L CB -0.275 41.858 42.059 0.124 0.000 0.937 402 L HN 0.245 nan 8.230 nan 0.000 0.450 403 E N -1.019 119.203 120.200 0.036 0.000 2.476 403 E HA -0.209 4.142 4.350 0.002 0.000 0.251 403 E C 0.902 177.507 176.600 0.008 0.000 1.130 403 E CA 0.929 57.337 56.400 0.012 0.000 0.736 403 E CB -2.230 27.466 29.700 -0.007 0.000 1.298 403 E HN 0.496 nan 8.360 nan 0.000 0.400 404 V N -3.913 116.013 119.914 0.020 0.000 3.376 404 V HA 0.559 4.680 4.120 0.002 0.000 0.313 404 V C 1.351 177.402 176.094 -0.071 0.000 1.393 404 V CA 0.955 63.244 62.300 -0.018 0.000 1.125 404 V CB 0.570 32.397 31.823 0.005 0.000 1.037 404 V HN 0.524 nan 8.190 nan 0.000 0.440 405 G N 0.111 108.887 108.800 -0.041 0.000 2.179 405 G HA2 -0.125 3.836 3.960 0.002 0.000 0.260 405 G HA3 -0.125 3.836 3.960 0.002 0.000 0.260 405 G C 0.473 175.343 174.900 -0.050 0.000 0.977 405 G CA 0.267 45.336 45.100 -0.051 0.000 0.641 405 G HN 1.715 nan 8.290 nan 0.000 0.533 406 A N 0.092 122.894 122.820 -0.030 0.000 2.371 406 A HA 0.717 5.037 4.320 0.002 0.000 0.257 406 A C 1.468 179.096 177.584 0.073 0.000 1.089 406 A CA 1.314 53.367 52.037 0.027 0.000 0.794 406 A CB 0.480 19.603 19.000 0.204 0.000 1.029 406 A HN 1.437 nan 8.150 nan 0.000 0.488 407 T N -1.313 113.295 114.554 0.090 0.000 3.054 407 T HA 0.532 4.883 4.350 0.002 0.000 0.255 407 T C 0.899 175.662 174.700 0.104 0.000 1.035 407 T CA 0.920 63.072 62.100 0.088 0.000 0.941 407 T CB -0.032 68.888 68.868 0.087 0.000 1.026 407 T HN 2.141 nan 8.240 nan 0.000 0.533 408 G N 1.315 110.187 108.800 0.121 0.000 2.451 408 G HA2 0.186 4.147 3.960 0.002 0.000 0.083 408 G HA3 0.186 4.147 3.960 0.002 0.000 0.083 408 G C -1.207 173.746 174.900 0.089 0.000 1.107 408 G CA -0.795 44.323 45.100 0.031 0.000 1.117 408 G HN 0.146 nan 8.290 nan 0.000 0.454 409 F N 3.491 123.562 119.950 0.202 0.000 2.783 409 F HA 0.336 4.864 4.527 0.001 0.000 0.338 409 F C 0.352 176.358 175.800 0.342 0.000 1.178 409 F CA -0.320 57.839 58.000 0.265 0.000 1.343 409 F CB -0.519 38.564 39.000 0.137 0.000 1.496 409 F HN 0.131 nan 8.300 nan 0.000 0.583 410 D N 2.821 123.489 120.400 0.447 0.000 2.472 410 D HA 0.000 4.641 4.640 0.002 0.000 0.237 410 D C -2.112 174.297 176.300 0.182 0.000 1.141 410 D CA -0.641 53.488 54.000 0.215 0.000 0.875 410 D CB 0.193 41.016 40.800 0.037 0.000 1.192 410 D HN 0.119 nan 8.370 nan 0.000 0.450 411 P HA 0.063 nan 4.420 nan 0.000 0.275 411 P C -0.028 177.227 177.300 -0.075 0.000 1.228 411 P CA -0.425 62.700 63.100 0.041 0.000 0.786 411 P CB 1.168 32.892 31.700 0.040 0.000 0.927 412 K N 0.682 120.982 120.400 -0.167 0.000 2.287 412 K HA 0.152 4.473 4.320 0.002 0.000 0.199 412 K C 0.786 177.329 176.600 -0.096 0.000 1.061 412 K CA 0.820 56.949 56.287 -0.262 0.000 0.976 412 K CB -0.139 31.910 32.500 -0.752 0.000 0.898 412 K HN 0.470 nan 8.250 nan 0.000 0.492 413 V N -0.256 119.634 119.914 -0.039 0.000 2.919 413 V HA 0.554 4.675 4.120 0.002 0.000 0.316 413 V C 0.142 176.255 176.094 0.032 0.000 1.077 413 V CA -1.304 61.021 62.300 0.042 0.000 0.977 413 V CB 1.710 33.598 31.823 0.109 0.000 1.039 413 V HN 0.181 nan 8.190 nan 0.000 0.441 414 S N 1.803 117.524 115.700 0.035 0.000 2.584 414 S HA 0.445 4.916 4.470 0.002 0.000 0.273 414 S C 0.822 175.444 174.600 0.036 0.000 1.311 414 S CA -0.554 57.664 58.200 0.030 0.000 1.034 414 S CB 0.908 64.122 63.200 0.024 0.000 0.939 414 S HN 0.748 nan 8.310 nan 0.000 0.513 415 L N 0.920 122.164 121.223 0.034 0.000 2.083 415 L HA -0.077 4.264 4.340 0.002 0.000 0.209 415 L C 1.497 178.386 176.870 0.032 0.000 1.083 415 L CA 1.464 56.326 54.840 0.036 0.000 0.752 415 L CB -0.598 41.483 42.059 0.035 0.000 0.899 415 L HN 0.789 nan 8.230 nan 0.000 0.433 416 D N -2.031 118.385 120.400 0.027 0.000 2.319 416 D HA -0.039 4.602 4.640 0.002 0.000 0.230 416 D C 0.352 176.666 176.300 0.023 0.000 1.094 416 D CA -0.093 53.921 54.000 0.023 0.000 0.856 416 D CB -0.500 40.312 40.800 0.019 0.000 0.915 416 D HN 0.089 nan 8.370 nan 0.000 0.517 417 D N 1.253 121.669 120.400 0.027 0.000 2.295 417 D HA 0.099 4.740 4.640 0.002 0.000 0.248 417 D C -1.380 174.936 176.300 0.026 0.000 1.154 417 D CA -2.204 51.812 54.000 0.027 0.000 0.857 417 D CB 1.852 42.672 40.800 0.033 0.000 1.117 417 D HN -0.132 nan 8.370 nan 0.000 0.468 418 P HA -0.055 nan 4.420 nan 0.000 0.223 418 P C 0.292 177.603 177.300 0.017 0.000 1.151 418 P CA 0.943 64.053 63.100 0.018 0.000 0.787 418 P CB 0.409 32.117 31.700 0.013 0.000 0.788 419 E N -1.018 119.193 120.200 0.019 0.000 2.498 419 E HA 0.233 4.584 4.350 0.002 0.000 0.203 419 E C 1.841 178.456 176.600 0.025 0.000 1.013 419 E CA 0.020 56.430 56.400 0.017 0.000 0.927 419 E CB -0.004 29.702 29.700 0.011 0.000 1.012 419 E HN 0.082 nan 8.360 nan 0.000 0.482 420 A N 1.556 124.399 122.820 0.038 0.000 1.927 420 A HA -0.215 4.106 4.320 0.002 0.000 0.220 420 A C 2.136 179.754 177.584 0.057 0.000 1.185 420 A CA 1.237 53.310 52.037 0.059 0.000 0.639 420 A CB -0.630 18.410 19.000 0.067 0.000 0.820 420 A HN 0.215 nan 8.150 nan 0.000 0.451 421 L N -1.164 120.083 121.223 0.040 0.000 2.191 421 L HA -0.141 4.200 4.340 0.002 0.000 0.212 421 L C 2.711 179.588 176.870 0.012 0.000 1.103 421 L CA 1.578 56.436 54.840 0.030 0.000 0.769 421 L CB -0.486 41.588 42.059 0.025 0.000 0.908 421 L HN 0.371 nan 8.230 nan 0.000 0.438 422 T N -0.596 113.961 114.554 0.006 0.000 2.851 422 T HA -0.116 4.235 4.350 0.002 0.000 0.262 422 T C 1.868 176.550 174.700 -0.030 0.000 1.043 422 T CA 1.062 63.155 62.100 -0.012 0.000 1.140 422 T CB 0.088 68.950 68.868 -0.010 0.000 0.872 422 T HN 0.290 nan 8.240 nan 0.000 0.446 423 K N 0.761 121.150 120.400 -0.018 0.000 2.097 423 K HA 0.072 4.393 4.320 0.002 0.000 0.205 423 K C 2.102 178.638 176.600 -0.106 0.000 1.050 423 K CA 1.021 57.277 56.287 -0.051 0.000 0.938 423 K CB -0.245 32.257 32.500 0.004 0.000 0.718 423 K HN 0.293 nan 8.250 nan 0.000 0.442 424 I N 1.047 121.615 120.570 -0.004 0.000 2.179 424 I HA -0.279 3.892 4.170 0.002 0.000 0.242 424 I C 2.764 178.844 176.117 -0.062 0.000 1.088 424 I CA 1.122 62.440 61.300 0.029 0.000 1.357 424 I CB -0.184 37.883 38.000 0.112 0.000 1.051 424 I HN 0.160 nan 8.210 nan 0.000 0.409 425 R N 0.903 121.373 120.500 -0.049 0.000 2.091 425 R HA -0.226 4.114 4.340 0.002 0.000 0.238 425 R C 2.563 178.807 176.300 -0.093 0.000 1.136 425 R CA 1.463 57.528 56.100 -0.059 0.000 0.959 425 R CB -0.273 30.004 30.300 -0.040 0.000 0.856 425 R HN 0.209 nan 8.270 nan 0.000 0.437 426 R N 0.931 121.360 120.500 -0.119 0.000 2.066 426 R HA -0.113 4.228 4.340 0.002 0.000 0.232 426 R C 1.550 177.740 176.300 -0.184 0.000 1.131 426 R CA 1.632 57.648 56.100 -0.140 0.000 0.955 426 R CB -0.317 29.902 30.300 -0.135 0.000 0.851 426 R HN 0.271 nan 8.270 nan 0.000 0.432 427 E N 0.628 120.656 120.200 -0.288 0.000 2.265 427 E HA -0.149 4.202 4.350 0.002 0.000 0.196 427 E C 1.928 178.423 176.600 -0.174 0.000 0.996 427 E CA 0.698 56.888 56.400 -0.350 0.000 0.832 427 E CB -0.025 29.179 29.700 -0.827 0.000 0.756 427 E HN 0.211 nan 8.360 nan 0.000 0.491 428 L N 0.716 121.867 121.223 -0.119 0.000 2.145 428 L HA -0.005 4.336 4.340 0.002 0.000 0.201 428 L C 2.353 179.185 176.870 -0.063 0.000 1.075 428 L CA 1.327 56.133 54.840 -0.057 0.000 0.773 428 L CB -0.512 41.517 42.059 -0.051 0.000 0.936 428 L HN -0.050 nan 8.230 nan 0.000 0.451 429 K N -0.591 119.761 120.400 -0.079 0.000 2.026 429 K HA -0.102 4.219 4.320 0.002 0.000 0.208 429 K C -0.265 176.288 176.600 -0.077 0.000 1.048 429 K CA 1.267 57.508 56.287 -0.077 0.000 0.929 429 K CB 0.178 32.629 32.500 -0.081 0.000 0.713 429 K HN 0.208 nan 8.250 nan 0.000 0.439 430 D N 0.760 121.104 120.400 -0.093 0.000 2.432 430 D HA 0.174 4.815 4.640 0.002 0.000 0.265 430 D C -1.163 175.083 176.300 -0.090 0.000 1.160 430 D CA -0.108 53.838 54.000 -0.090 0.000 0.911 430 D CB 1.265 41.997 40.800 -0.113 0.000 1.052 430 D HN 0.259 nan 8.370 nan 0.000 0.508 431 A N 1.552 124.340 122.820 -0.052 0.000 2.598 431 A HA 0.421 4.742 4.320 0.002 0.000 0.239 431 A C 0.940 178.476 177.584 -0.080 0.000 1.032 431 A CA 0.623 52.639 52.037 -0.035 0.000 0.760 431 A CB 0.307 19.318 19.000 0.019 0.000 0.946 431 A HN 0.507 nan 8.150 nan 0.000 0.512 432 G N -0.379 108.365 108.800 -0.095 0.000 3.108 432 G HA2 0.593 4.554 3.960 0.002 0.000 0.268 432 G HA3 0.593 4.554 3.960 0.002 0.000 0.268 432 G C 0.855 175.662 174.900 -0.155 0.000 1.361 432 G CA 0.091 45.081 45.100 -0.183 0.000 1.047 432 G HN 1.356 nan 8.290 nan 0.000 0.540 433 A N -0.906 121.776 122.820 -0.230 0.000 2.066 433 A HA 0.090 4.411 4.320 0.002 0.000 0.218 433 A C 1.539 179.265 177.584 0.237 0.000 1.157 433 A CA 1.738 53.659 52.037 -0.193 0.000 0.670 433 A CB -0.135 18.827 19.000 -0.063 0.000 0.804 433 A HN 0.400 nan 8.150 nan 0.000 0.453 434 D N -1.038 119.532 120.400 0.284 0.000 2.339 434 D HA 0.030 4.671 4.640 0.002 0.000 0.217 434 D C 1.740 178.411 176.300 0.619 0.000 1.050 434 D CA 0.067 54.413 54.000 0.576 0.000 0.856 434 D CB -0.171 40.933 40.800 0.506 0.000 0.922 434 D HN 0.480 nan 8.370 nan 0.000 0.518 435 R N 0.636 121.348 120.500 0.353 0.000 2.159 435 R HA -0.246 4.095 4.340 0.002 0.000 0.249 435 R C 2.035 178.498 176.300 0.272 0.000 1.136 435 R CA 1.431 57.702 56.100 0.285 0.000 0.951 435 R CB -0.449 29.948 30.300 0.161 0.000 0.876 435 R HN 0.095 nan 8.270 nan 0.000 0.440 436 I N 0.356 120.988 120.570 0.103 0.000 2.194 436 I HA -0.314 3.857 4.170 0.002 0.000 0.246 436 I C 1.782 177.904 176.117 0.008 0.000 1.093 436 I CA 1.552 62.813 61.300 -0.065 0.000 1.355 436 I CB -0.438 37.249 38.000 -0.521 0.000 1.046 436 I HN 0.352 nan 8.210 nan 0.000 0.413 437 W N -0.688 120.715 121.300 0.172 0.000 2.381 437 W HA -0.222 4.439 4.660 0.002 0.000 0.301 437 W C 2.607 179.130 176.519 0.007 0.000 1.205 437 W CA 1.079 58.482 57.345 0.097 0.000 1.285 437 W CB -1.316 28.089 29.460 -0.091 0.000 1.133 437 W HN 0.204 nan 8.180 nan 0.000 0.521 438 Y N 0.245 120.730 120.300 0.308 0.000 2.333 438 Y HA -0.166 4.385 4.550 0.002 0.000 0.290 438 Y C 2.400 178.331 175.900 0.051 0.000 1.144 438 Y CA 1.168 59.363 58.100 0.157 0.000 1.228 438 Y CB -0.878 37.643 38.460 0.102 0.000 0.985 438 Y HN -0.148 nan 8.280 nan 0.000 0.542 439 I N -0.844 119.830 120.570 0.173 0.000 2.252 439 I HA -0.321 3.850 4.170 0.002 0.000 0.245 439 I C 2.541 178.552 176.117 -0.176 0.000 1.102 439 I CA 1.180 62.460 61.300 -0.033 0.000 1.385 439 I CB -0.496 37.544 38.000 0.066 0.000 1.064 439 I HN 0.183 nan 8.210 nan 0.000 0.414 440 A N 0.176 123.007 122.820 0.018 0.000 1.930 440 A HA -0.229 4.092 4.320 0.002 0.000 0.217 440 A C 1.947 179.566 177.584 0.058 0.000 1.175 440 A CA 1.884 53.934 52.037 0.022 0.000 0.627 440 A CB -0.556 18.416 19.000 -0.047 0.000 0.815 440 A HN 0.313 nan 8.150 nan 0.000 0.443 441 D N 0.096 120.534 120.400 0.064 0.000 2.149 441 D HA -0.074 4.567 4.640 0.002 0.000 0.198 441 D C 2.190 178.515 176.300 0.042 0.000 0.990 441 D CA 1.413 55.450 54.000 0.063 0.000 0.839 441 D CB -0.296 40.530 40.800 0.044 0.000 0.948 441 D HN 0.421 nan 8.370 nan 0.000 0.460 442 A N 0.056 122.849 122.820 -0.045 0.000 1.902 442 A HA -0.156 4.165 4.320 0.002 0.000 0.217 442 A C 1.931 179.467 177.584 -0.079 0.000 1.181 442 A CA 0.951 52.916 52.037 -0.120 0.000 0.623 442 A CB -0.847 17.992 19.000 -0.268 0.000 0.818 442 A HN 0.141 nan 8.150 nan 0.000 0.443 443 F N 0.194 120.170 119.950 0.044 0.000 2.234 443 F HA -0.057 4.471 4.527 0.002 0.000 0.299 443 F C 2.438 178.252 175.800 0.024 0.000 1.087 443 F CA 1.249 59.262 58.000 0.022 0.000 1.340 443 F CB -0.484 38.510 39.000 -0.009 0.000 1.031 443 F HN 0.169 nan 8.300 nan 0.000 0.500 444 R N -0.108 120.507 120.500 0.191 0.000 2.189 444 R HA 0.106 4.447 4.340 0.002 0.000 0.218 444 R C 1.990 178.348 176.300 0.096 0.000 1.074 444 R CA 0.909 57.085 56.100 0.126 0.000 0.991 444 R CB -0.506 29.854 30.300 0.101 0.000 0.883 444 R HN 0.191 nan 8.270 nan 0.000 0.457 445 A N 0.208 123.082 122.820 0.089 0.000 2.275 445 A HA 0.327 4.648 4.320 0.002 0.000 0.212 445 A C 1.442 179.069 177.584 0.071 0.000 1.201 445 A CA 0.643 52.722 52.037 0.070 0.000 0.843 445 A CB 0.145 19.182 19.000 0.060 0.000 0.873 445 A HN 0.422 nan 8.150 nan 0.000 0.492 446 G N -1.430 107.428 108.800 0.096 0.000 2.201 446 G HA2 -0.165 3.795 3.960 0.002 0.000 0.212 446 G HA3 -0.165 3.795 3.960 0.002 0.000 0.212 446 G C 0.112 175.077 174.900 0.109 0.000 0.994 446 G CA -0.010 45.146 45.100 0.093 0.000 0.644 446 G HN 0.358 nan 8.290 nan 0.000 0.508 447 L N 2.239 123.530 121.223 0.112 0.000 2.452 447 L HA 0.552 4.893 4.340 0.002 0.000 0.267 447 L C 1.496 178.499 176.870 0.221 0.000 1.188 447 L CA 0.108 55.016 54.840 0.113 0.000 0.821 447 L CB 1.163 43.248 42.059 0.042 0.000 1.102 447 L HN 0.441 nan 8.230 nan 0.000 0.470 448 S N 0.796 116.610 115.700 0.190 0.000 2.681 448 S HA 0.257 4.727 4.470 0.002 0.000 0.270 448 S C 1.003 175.814 174.600 0.352 0.000 1.209 448 S CA -0.915 57.422 58.200 0.228 0.000 0.988 448 S CB 1.499 64.778 63.200 0.133 0.000 1.006 448 S HN 0.315 nan 8.310 nan 0.000 0.558 449 V N 1.068 121.174 119.914 0.319 0.000 2.343 449 V HA -0.148 3.973 4.120 0.002 0.000 0.247 449 V C 2.178 178.435 176.094 0.272 0.000 1.051 449 V CA 2.317 64.828 62.300 0.352 0.000 1.036 449 V CB -1.055 30.847 31.823 0.132 0.000 0.654 449 V HN 0.866 nan 8.190 nan 0.000 0.451 450 D N 0.302 120.811 120.400 0.183 0.000 2.144 450 D HA -0.089 4.552 4.640 0.002 0.000 0.199 450 D C 2.169 178.594 176.300 0.207 0.000 0.984 450 D CA 1.438 55.544 54.000 0.176 0.000 0.834 450 D CB -0.502 40.359 40.800 0.101 0.000 0.955 450 D HN 0.445 nan 8.370 nan 0.000 0.465 451 G N 0.124 109.023 108.800 0.164 0.000 2.408 451 G HA2 -0.177 3.784 3.960 0.002 0.000 0.217 451 G HA3 -0.177 3.784 3.960 0.002 0.000 0.217 451 G C 1.815 176.778 174.900 0.104 0.000 1.150 451 G CA 0.607 45.779 45.100 0.120 0.000 0.776 451 G HN 0.221 nan 8.290 nan 0.000 0.542 452 V N 0.558 120.543 119.914 0.118 0.000 2.295 452 V HA -0.155 3.966 4.120 0.002 0.000 0.246 452 V C 2.321 178.461 176.094 0.076 0.000 1.049 452 V CA 1.882 64.210 62.300 0.047 0.000 1.024 452 V CB -0.688 31.114 31.823 -0.035 0.000 0.648 452 V HN 0.383 nan 8.190 nan 0.000 0.447 453 F N 2.024 122.010 119.950 0.060 0.000 2.087 453 F HA -0.271 4.257 4.527 0.002 0.000 0.299 453 F C 2.311 178.135 175.800 0.040 0.000 1.100 453 F CA 2.271 60.303 58.000 0.054 0.000 1.226 453 F CB -0.499 38.538 39.000 0.062 0.000 0.983 453 F HN 0.200 nan 8.300 nan 0.000 0.479 454 N N 0.630 119.360 118.700 0.049 0.000 2.166 454 N HA -0.151 4.590 4.740 0.002 0.000 0.186 454 N C 1.973 177.410 175.510 -0.121 0.000 1.019 454 N CA 1.733 54.769 53.050 -0.022 0.000 0.856 454 N CB -0.525 38.027 38.487 0.108 0.000 0.993 454 N HN 0.383 nan 8.380 nan 0.000 0.426 455 L N -0.061 121.111 121.223 -0.085 0.000 2.131 455 L HA -0.033 4.308 4.340 0.002 0.000 0.206 455 L C 2.242 179.035 176.870 -0.129 0.000 1.087 455 L CA 1.386 56.173 54.840 -0.087 0.000 0.767 455 L CB -0.460 41.565 42.059 -0.057 0.000 0.917 455 L HN 0.289 nan 8.230 nan 0.000 0.441 456 T N -5.112 109.341 114.554 -0.169 0.000 3.015 456 T HA 0.097 4.448 4.350 0.002 0.000 0.250 456 T C 0.872 175.417 174.700 -0.257 0.000 1.057 456 T CA 0.516 62.519 62.100 -0.161 0.000 1.066 456 T CB -0.066 68.743 68.868 -0.097 0.000 0.959 456 T HN 0.330 nan 8.240 nan 0.000 0.488 457 N N 0.204 118.579 118.700 -0.542 0.000 2.863 457 N HA -0.123 4.618 4.740 0.002 0.000 0.245 457 N C -0.761 174.601 175.510 -0.247 0.000 1.001 457 N CA 0.725 53.415 53.050 -0.600 0.000 0.901 457 N CB -1.835 36.490 38.487 -0.271 0.000 1.124 457 N HN 0.555 nan 8.380 nan 0.000 0.582 458 I N 1.154 121.625 120.570 -0.166 0.000 2.441 458 I HA 0.023 4.194 4.170 0.002 0.000 0.287 458 I C 0.860 177.110 176.117 0.221 0.000 1.049 458 I CA -0.188 61.055 61.300 -0.094 0.000 1.381 458 I CB 0.453 38.258 38.000 -0.325 0.000 1.409 458 I HN 0.128 nan 8.210 nan 0.000 0.523 459 D N 5.992 126.580 120.400 0.313 0.000 2.586 459 D HA -0.087 4.554 4.640 0.002 0.000 0.234 459 D C 1.208 177.700 176.300 0.320 0.000 1.132 459 D CA 0.471 54.695 54.000 0.373 0.000 0.860 459 D CB 0.756 41.734 40.800 0.297 0.000 1.159 459 D HN 0.481 nan 8.370 nan 0.000 0.490 460 R N 2.867 123.492 120.500 0.208 0.000 2.170 460 R HA -0.205 4.136 4.340 0.002 0.000 0.242 460 R C 1.938 178.307 176.300 0.114 0.000 1.145 460 R CA 1.369 57.550 56.100 0.135 0.000 0.984 460 R CB -0.170 30.125 30.300 -0.008 0.000 0.869 460 R HN 0.662 nan 8.270 nan 0.000 0.455 461 W N 0.400 121.627 121.300 -0.122 0.000 2.341 461 W HA -0.204 4.457 4.660 0.001 0.000 0.283 461 W C 0.980 177.371 176.519 -0.213 0.000 1.215 461 W CA 1.379 58.590 57.345 -0.224 0.000 1.211 461 W CB -0.054 29.184 29.460 -0.370 0.000 1.131 461 W HN -0.009 nan 8.180 nan 0.000 0.552 462 F N -0.698 119.385 119.950 0.221 0.000 2.317 462 F HA 0.044 4.572 4.527 0.002 0.000 0.290 462 F C 2.156 178.014 175.800 0.096 0.000 1.075 462 F CA 0.896 58.990 58.000 0.157 0.000 1.380 462 F CB -1.124 38.028 39.000 0.254 0.000 1.093 462 F HN -0.277 nan 8.300 nan 0.000 0.524 463 L N 0.296 121.699 121.223 0.299 0.000 2.079 463 L HA -0.178 4.163 4.340 0.002 0.000 0.210 463 L C 2.575 179.513 176.870 0.114 0.000 1.081 463 L CA 1.365 56.387 54.840 0.304 0.000 0.752 463 L CB -1.069 41.212 42.059 0.370 0.000 0.896 463 L HN 0.184 nan 8.230 nan 0.000 0.433 464 V N -2.446 117.447 119.914 -0.035 0.000 2.515 464 V HA -0.245 3.876 4.120 0.002 0.000 0.250 464 V C 2.140 178.103 176.094 -0.218 0.000 1.058 464 V CA 1.410 63.599 62.300 -0.186 0.000 1.064 464 V CB -0.730 30.982 31.823 -0.186 0.000 0.675 464 V HN 0.524 nan 8.190 nan 0.000 0.461 465 Q N 0.236 119.927 119.800 -0.181 0.000 2.172 465 Q HA 0.065 4.406 4.340 0.002 0.000 0.200 465 Q C 2.299 178.230 176.000 -0.115 0.000 0.964 465 Q CA 1.891 57.592 55.803 -0.171 0.000 0.855 465 Q CB -0.228 28.384 28.738 -0.210 0.000 0.918 465 Q HN 0.654 nan 8.270 nan 0.000 0.444 466 I N 0.880 121.416 120.570 -0.056 0.000 2.286 466 I HA -0.225 3.946 4.170 0.002 0.000 0.245 466 I C 2.507 178.495 176.117 -0.215 0.000 1.104 466 I CA 1.029 62.247 61.300 -0.136 0.000 1.397 466 I CB -0.211 37.818 38.000 0.048 0.000 1.072 466 I HN 0.259 nan 8.210 nan 0.000 0.417 467 E N 1.400 121.351 120.200 -0.416 0.000 2.070 467 E HA -0.332 4.019 4.350 0.002 0.000 0.197 467 E C 2.109 178.506 176.600 -0.339 0.000 1.004 467 E CA 1.777 57.719 56.400 -0.762 0.000 0.805 467 E CB -0.078 28.910 29.700 -1.187 0.000 0.744 467 E HN 0.470 nan 8.360 nan 0.000 0.451 468 E N 0.172 120.227 120.200 -0.242 0.000 2.160 468 E HA -0.206 4.145 4.350 0.002 0.000 0.195 468 E C 2.175 178.761 176.600 -0.023 0.000 0.991 468 E CA 1.001 57.329 56.400 -0.119 0.000 0.810 468 E CB -0.062 29.578 29.700 -0.100 0.000 0.742 468 E HN 0.372 nan 8.360 nan 0.000 0.466 469 L N 0.042 121.248 121.223 -0.029 0.000 2.156 469 L HA -0.117 4.224 4.340 0.002 0.000 0.208 469 L C 2.460 179.433 176.870 0.171 0.000 1.095 469 L CA 0.376 55.287 54.840 0.118 0.000 0.770 469 L CB -0.153 41.878 42.059 -0.046 0.000 0.914 469 L HN 0.095 nan 8.230 nan 0.000 0.439 470 V N -0.129 119.792 119.914 0.012 0.000 2.261 470 V HA -0.240 3.881 4.120 0.002 0.000 0.246 470 V C 2.694 178.826 176.094 0.063 0.000 1.047 470 V CA 1.545 63.877 62.300 0.053 0.000 1.015 470 V CB -0.603 31.253 31.823 0.054 0.000 0.642 470 V HN 0.434 nan 8.190 nan 0.000 0.446 471 R N -0.007 120.504 120.500 0.019 0.000 2.103 471 R HA -0.155 4.185 4.340 0.002 0.000 0.242 471 R C 2.252 178.579 176.300 0.046 0.000 1.142 471 R CA 1.509 57.618 56.100 0.016 0.000 0.960 471 R CB -1.089 29.199 30.300 -0.019 0.000 0.858 471 R HN 0.430 nan 8.270 nan 0.000 0.439 472 L N 1.066 122.342 121.223 0.087 0.000 2.042 472 L HA -0.183 4.158 4.340 0.002 0.000 0.210 472 L C 2.540 179.423 176.870 0.022 0.000 1.076 472 L CA 1.431 56.337 54.840 0.110 0.000 0.749 472 L CB -0.421 41.742 42.059 0.175 0.000 0.893 472 L HN 0.256 nan 8.230 nan 0.000 0.432 473 E N -0.012 120.198 120.200 0.017 0.000 2.077 473 E HA -0.230 4.121 4.350 0.002 0.000 0.193 473 E C 2.015 178.622 176.600 0.012 0.000 0.989 473 E CA 1.163 57.544 56.400 -0.033 0.000 0.800 473 E CB -0.089 29.669 29.700 0.097 0.000 0.746 473 E HN 0.583 nan 8.360 nan 0.000 0.452 474 E N 0.904 121.126 120.200 0.037 0.000 2.160 474 E HA -0.212 4.139 4.350 0.002 0.000 0.195 474 E C 2.074 178.689 176.600 0.023 0.000 0.991 474 E CA 0.927 57.345 56.400 0.031 0.000 0.810 474 E CB -0.068 29.650 29.700 0.029 0.000 0.742 474 E HN 0.115 nan 8.360 nan 0.000 0.466 475 K N 1.039 121.459 120.400 0.033 0.000 2.062 475 K HA -0.106 4.215 4.320 0.002 0.000 0.205 475 K C 2.047 178.693 176.600 0.078 0.000 1.051 475 K CA 0.937 57.238 56.287 0.025 0.000 0.941 475 K CB 0.097 32.590 32.500 -0.012 0.000 0.719 475 K HN -0.067 nan 8.250 nan 0.000 0.440 476 V N 1.556 121.545 119.914 0.124 0.000 2.343 476 V HA -0.227 3.894 4.120 0.002 0.000 0.247 476 V C 2.497 178.620 176.094 0.049 0.000 1.051 476 V CA 1.956 64.323 62.300 0.112 0.000 1.036 476 V CB -0.707 31.090 31.823 -0.042 0.000 0.654 476 V HN 0.528 nan 8.190 nan 0.000 0.451 477 A N -0.680 122.155 122.820 0.025 0.000 1.933 477 A HA -0.254 4.066 4.320 0.002 0.000 0.218 477 A C 2.266 179.861 177.584 0.019 0.000 1.175 477 A CA 2.000 54.049 52.037 0.019 0.000 0.628 477 A CB -0.407 18.606 19.000 0.021 0.000 0.814 477 A HN 0.614 nan 8.150 nan 0.000 0.444 478 E N -0.281 119.929 120.200 0.016 0.000 2.016 478 E HA -0.129 4.222 4.350 0.002 0.000 0.190 478 E C 2.113 178.717 176.600 0.005 0.000 0.985 478 E CA 1.679 58.082 56.400 0.005 0.000 0.802 478 E CB -0.164 29.531 29.700 -0.010 0.000 0.762 478 E HN 0.515 nan 8.360 nan 0.000 0.448 479 V N -1.351 118.568 119.914 0.010 0.000 2.515 479 V HA 0.091 4.212 4.120 0.002 0.000 0.250 479 V C 1.157 177.272 176.094 0.034 0.000 1.058 479 V CA 1.183 63.491 62.300 0.014 0.000 1.064 479 V CB -1.195 30.630 31.823 0.004 0.000 0.675 479 V HN 0.456 nan 8.190 nan 0.000 0.461 480 G N -0.170 108.656 108.800 0.043 0.000 2.750 480 G HA2 -0.308 3.653 3.960 0.002 0.000 0.228 480 G HA3 -0.308 3.653 3.960 0.002 0.000 0.228 480 G C 0.429 175.356 174.900 0.044 0.000 1.367 480 G CA 0.119 45.239 45.100 0.034 0.000 0.871 480 G HN 0.699 nan 8.290 nan 0.000 0.560 481 I N 0.975 121.561 120.570 0.028 0.000 2.423 481 I HA -0.208 3.963 4.170 0.002 0.000 0.254 481 I C 2.874 179.019 176.117 0.047 0.000 1.151 481 I CA 2.722 64.039 61.300 0.027 0.000 1.421 481 I CB -0.368 37.637 38.000 0.009 0.000 1.079 481 I HN 0.784 nan 8.210 nan 0.000 0.431 482 T N -1.250 113.330 114.554 0.045 0.000 2.867 482 T HA -0.069 4.282 4.350 0.002 0.000 0.268 482 T C 1.724 176.463 174.700 0.065 0.000 1.057 482 T CA 1.038 63.167 62.100 0.048 0.000 1.136 482 T CB -0.882 68.004 68.868 0.031 0.000 0.874 482 T HN 0.494 nan 8.240 nan 0.000 0.466 483 G N 0.932 109.776 108.800 0.074 0.000 2.920 483 G HA2 0.247 4.208 3.960 0.002 0.000 0.208 483 G HA3 0.247 4.208 3.960 0.002 0.000 0.208 483 G C 0.678 175.696 174.900 0.196 0.000 1.159 483 G CA -0.354 44.800 45.100 0.091 0.000 0.784 483 G HN 0.500 nan 8.290 nan 0.000 0.535 484 L N 2.659 123.993 121.223 0.185 0.000 2.533 484 L HA 0.154 4.495 4.340 0.002 0.000 0.239 484 L C 0.456 177.478 176.870 0.253 0.000 1.376 484 L CA -0.728 54.235 54.840 0.205 0.000 1.240 484 L CB -1.086 41.022 42.059 0.082 0.000 1.487 484 L HN 0.289 nan 8.230 nan 0.000 0.419 485 N N -0.199 118.633 118.700 0.220 0.000 2.399 485 N HA 0.193 4.934 4.740 0.002 0.000 0.250 485 N C 1.208 176.698 175.510 -0.033 0.000 1.272 485 N CA 0.201 53.307 53.050 0.094 0.000 0.928 485 N CB 0.868 39.374 38.487 0.032 0.000 1.158 485 N HN 0.163 nan 8.380 nan 0.000 0.463 486 A N 0.221 122.736 122.820 -0.507 0.000 1.940 486 A HA -0.231 4.090 4.320 0.002 0.000 0.219 486 A C 1.491 178.970 177.584 -0.173 0.000 1.176 486 A CA 1.806 53.469 52.037 -0.624 0.000 0.631 486 A CB -0.793 17.674 19.000 -0.890 0.000 0.814 486 A HN 0.806 nan 8.150 nan 0.000 0.446 487 D N -1.415 118.930 120.400 -0.092 0.000 2.144 487 D HA -0.082 4.559 4.640 0.002 0.000 0.200 487 D C 1.581 177.941 176.300 0.100 0.000 0.978 487 D CA 1.015 55.016 54.000 0.002 0.000 0.833 487 D CB -0.387 40.418 40.800 0.008 0.000 0.961 487 D HN 0.450 nan 8.370 nan 0.000 0.470 488 F N 1.238 121.157 119.950 -0.052 0.000 2.163 488 F HA -0.046 4.481 4.527 0.001 0.000 0.297 488 F C 1.996 177.777 175.800 -0.032 0.000 1.094 488 F CA 0.451 58.428 58.000 -0.038 0.000 1.290 488 F CB -0.516 38.460 39.000 -0.040 0.000 1.017 488 F HN -0.139 nan 8.300 nan 0.000 0.483 489 L N 1.219 122.356 121.223 -0.144 0.000 2.046 489 L HA -0.158 4.183 4.340 0.002 0.000 0.208 489 L C 2.695 179.451 176.870 -0.190 0.000 1.077 489 L CA 2.119 56.828 54.840 -0.218 0.000 0.747 489 L CB -0.958 41.105 42.059 0.006 0.000 0.896 489 L HN 0.257 nan 8.230 nan 0.000 0.432 490 R N -0.991 119.455 120.500 -0.090 0.000 2.096 490 R HA -0.213 4.128 4.340 0.002 0.000 0.235 490 R C 2.308 178.551 176.300 -0.095 0.000 1.127 490 R CA 1.725 57.770 56.100 -0.091 0.000 0.968 490 R CB -0.435 29.859 30.300 -0.010 0.000 0.861 490 R HN 0.589 nan 8.270 nan 0.000 0.440 491 Q N 0.632 120.402 119.800 -0.050 0.000 2.061 491 Q HA -0.173 4.168 4.340 0.002 0.000 0.204 491 Q C 2.192 178.173 176.000 -0.031 0.000 0.984 491 Q CA 1.846 57.651 55.803 0.003 0.000 0.846 491 Q CB -0.077 28.728 28.738 0.111 0.000 0.902 491 Q HN 0.489 nan 8.270 nan 0.000 0.421 492 L N 0.526 121.651 121.223 -0.164 0.000 2.046 492 L HA -0.226 4.115 4.340 0.002 0.000 0.208 492 L C 2.563 179.450 176.870 0.029 0.000 1.077 492 L CA 1.045 55.830 54.840 -0.092 0.000 0.747 492 L CB -0.427 41.363 42.059 -0.449 0.000 0.896 492 L HN 0.108 nan 8.230 nan 0.000 0.432 493 K N 0.277 120.543 120.400 -0.223 0.000 2.097 493 K HA -0.136 4.185 4.320 0.002 0.000 0.206 493 K C 2.129 178.554 176.600 -0.291 0.000 1.049 493 K CA 1.278 57.273 56.287 -0.488 0.000 0.933 493 K CB -0.397 31.348 32.500 -1.258 0.000 0.717 493 K HN 0.287 nan 8.250 nan 0.000 0.442 494 R N 0.930 121.349 120.500 -0.135 0.000 2.152 494 R HA -0.025 4.316 4.340 0.002 0.000 0.232 494 R C 1.592 177.924 176.300 0.052 0.000 1.117 494 R CA 0.930 57.051 56.100 0.036 0.000 0.981 494 R CB 0.078 30.413 30.300 0.058 0.000 0.870 494 R HN 0.099 nan 8.270 nan 0.000 0.451 495 K N -0.533 119.894 120.400 0.045 0.000 2.417 495 K HA 0.112 4.433 4.320 0.002 0.000 0.196 495 K C 0.634 177.167 176.600 -0.113 0.000 1.023 495 K CA 0.652 56.946 56.287 0.011 0.000 1.122 495 K CB 1.134 33.684 32.500 0.083 0.000 0.850 495 K HN 0.351 nan 8.250 nan 0.000 0.521 496 G N 1.752 110.523 108.800 -0.047 0.000 2.143 496 G HA2 -0.268 3.693 3.960 0.002 0.000 0.248 496 G HA3 -0.268 3.693 3.960 0.002 0.000 0.248 496 G C -0.033 174.802 174.900 -0.108 0.000 0.991 496 G CA -0.319 44.749 45.100 -0.054 0.000 0.689 496 G HN 0.209 nan 8.290 nan 0.000 0.522 497 F N 1.349 121.288 119.950 -0.019 0.000 2.518 497 F HA 0.516 5.044 4.527 0.001 0.000 0.359 497 F C 1.098 176.884 175.800 -0.023 0.000 1.118 497 F CA 0.501 58.493 58.000 -0.014 0.000 1.287 497 F CB 0.871 39.835 39.000 -0.061 0.000 1.132 497 F HN 0.344 nan 8.300 nan 0.000 0.587 498 A N 2.557 125.504 122.820 0.212 0.000 2.293 498 A HA 0.277 4.598 4.320 0.002 0.000 0.302 498 A C 0.934 178.582 177.584 0.106 0.000 1.119 498 A CA -0.712 51.404 52.037 0.131 0.000 0.823 498 A CB 0.356 19.420 19.000 0.107 0.000 1.097 498 A HN 0.765 nan 8.150 nan 0.000 0.491 499 D N 1.517 121.958 120.400 0.067 0.000 2.158 499 D HA -0.152 4.489 4.640 0.002 0.000 0.197 499 D C 2.077 178.398 176.300 0.036 0.000 0.995 499 D CA 2.035 56.056 54.000 0.034 0.000 0.846 499 D CB -0.215 40.602 40.800 0.030 0.000 0.941 499 D HN 0.631 nan 8.370 nan 0.000 0.456 500 A N 0.444 123.295 122.820 0.052 0.000 1.930 500 A HA -0.132 4.189 4.320 0.002 0.000 0.217 500 A C 2.181 179.800 177.584 0.059 0.000 1.175 500 A CA 1.358 53.423 52.037 0.046 0.000 0.627 500 A CB -0.270 18.755 19.000 0.042 0.000 0.815 500 A HN 0.023 nan 8.150 nan 0.000 0.443 501 R N 0.175 120.733 120.500 0.096 0.000 2.066 501 R HA 0.034 4.375 4.340 0.002 0.000 0.232 501 R C 1.923 178.270 176.300 0.079 0.000 1.131 501 R CA 1.524 57.703 56.100 0.132 0.000 0.955 501 R CB -0.907 29.544 30.300 0.252 0.000 0.851 501 R HN 0.514 nan 8.270 nan 0.000 0.432 502 L N -0.184 121.064 121.223 0.042 0.000 2.042 502 L HA -0.160 4.181 4.340 0.002 0.000 0.210 502 L C 2.455 179.307 176.870 -0.030 0.000 1.076 502 L CA 1.537 56.347 54.840 -0.050 0.000 0.749 502 L CB -0.740 41.266 42.059 -0.088 0.000 0.893 502 L HN 0.311 nan 8.230 nan 0.000 0.432 503 A N 0.046 122.862 122.820 -0.007 0.000 1.940 503 A HA -0.236 4.085 4.320 0.002 0.000 0.219 503 A C 2.335 179.921 177.584 0.004 0.000 1.176 503 A CA 1.822 53.856 52.037 -0.005 0.000 0.631 503 A CB -0.352 18.648 19.000 0.000 0.000 0.814 503 A HN 0.332 nan 8.150 nan 0.000 0.446 504 K N -0.630 119.780 120.400 0.016 0.000 2.097 504 K HA 0.029 4.350 4.320 0.002 0.000 0.205 504 K C 1.821 178.431 176.600 0.018 0.000 1.050 504 K CA 1.191 57.491 56.287 0.021 0.000 0.938 504 K CB -0.306 32.215 32.500 0.035 0.000 0.718 504 K HN 0.462 nan 8.250 nan 0.000 0.442 505 L N 0.185 121.416 121.223 0.014 0.000 2.056 505 L HA -0.128 4.213 4.340 0.002 0.000 0.207 505 L C 2.251 179.122 176.870 0.002 0.000 1.078 505 L CA 1.153 55.998 54.840 0.008 0.000 0.749 505 L CB -0.325 41.726 42.059 -0.013 0.000 0.901 505 L HN 0.148 nan 8.230 nan 0.000 0.433 506 A N -0.426 122.390 122.820 -0.006 0.000 2.238 506 A HA 0.287 4.608 4.320 0.002 0.000 0.208 506 A C 1.649 179.234 177.584 0.002 0.000 1.177 506 A CA 0.583 52.619 52.037 -0.001 0.000 0.804 506 A CB -0.626 18.369 19.000 -0.009 0.000 0.823 506 A HN 0.493 nan 8.150 nan 0.000 0.482 507 G N -0.605 108.197 108.800 0.004 0.000 2.273 507 G HA2 -0.111 3.850 3.960 0.002 0.000 0.280 507 G HA3 -0.111 3.850 3.960 0.002 0.000 0.280 507 G C 0.279 175.179 174.900 0.002 0.000 1.047 507 G CA 0.860 45.963 45.100 0.005 0.000 0.869 507 G HN 1.709 nan 8.290 nan 0.000 0.502 508 V N -4.684 115.229 119.914 -0.001 0.000 3.145 508 V HA 0.957 5.077 4.120 0.002 0.000 0.311 508 V C 0.515 176.606 176.094 -0.004 0.000 1.238 508 V CA -1.988 60.309 62.300 -0.004 0.000 1.066 508 V CB 1.445 33.263 31.823 -0.009 0.000 1.144 508 V HN 0.255 nan 8.190 nan 0.000 0.465 509 R N 0.206 120.703 120.500 -0.005 0.000 2.531 509 R HA 0.355 4.696 4.340 0.002 0.000 0.273 509 R C 1.339 177.636 176.300 -0.005 0.000 1.070 509 R CA 0.348 56.446 56.100 -0.004 0.000 1.112 509 R CB 0.441 30.739 30.300 -0.004 0.000 1.049 509 R HN 0.970 nan 8.270 nan 0.000 0.508 510 E N 1.669 121.869 120.200 -0.000 0.000 2.118 510 E HA -0.250 4.101 4.350 0.002 0.000 0.195 510 E C 1.313 177.911 176.600 -0.003 0.000 0.992 510 E CA 1.598 57.999 56.400 0.002 0.000 0.804 510 E CB 0.049 29.755 29.700 0.010 0.000 0.741 510 E HN 0.690 nan 8.360 nan 0.000 0.458 511 A N 1.138 123.956 122.820 -0.003 0.000 2.019 511 A HA -0.235 4.086 4.320 0.002 0.000 0.219 511 A C 1.803 179.377 177.584 -0.017 0.000 1.164 511 A CA 1.651 53.685 52.037 -0.006 0.000 0.644 511 A CB -0.479 18.519 19.000 -0.004 0.000 0.805 511 A HN 0.392 nan 8.150 nan 0.000 0.449 512 E N -0.059 120.128 120.200 -0.022 0.000 2.072 512 E HA -0.147 4.204 4.350 0.002 0.000 0.191 512 E C 1.694 178.260 176.600 -0.057 0.000 0.985 512 E CA 1.077 57.456 56.400 -0.036 0.000 0.801 512 E CB -0.304 29.378 29.700 -0.029 0.000 0.750 512 E HN 0.537 nan 8.360 nan 0.000 0.452 513 I N 1.290 121.830 120.570 -0.050 0.000 2.315 513 I HA -0.190 3.981 4.170 0.002 0.000 0.248 513 I C 2.546 178.618 176.117 -0.076 0.000 1.117 513 I CA 1.163 62.421 61.300 -0.069 0.000 1.404 513 I CB -0.932 37.038 38.000 -0.050 0.000 1.071 513 I HN 0.099 nan 8.210 nan 0.000 0.419 514 R N 1.529 122.004 120.500 -0.041 0.000 2.073 514 R HA -0.190 4.151 4.340 0.002 0.000 0.234 514 R C 2.283 178.556 176.300 -0.044 0.000 1.134 514 R CA 1.603 57.689 56.100 -0.022 0.000 0.952 514 R CB 0.029 30.335 30.300 0.011 0.000 0.850 514 R HN 0.266 nan 8.270 nan 0.000 0.433 515 K N 0.154 120.520 120.400 -0.057 0.000 2.057 515 K HA -0.156 4.165 4.320 0.002 0.000 0.207 515 K C 2.010 178.518 176.600 -0.154 0.000 1.049 515 K CA 1.156 57.401 56.287 -0.071 0.000 0.931 515 K CB -0.266 32.199 32.500 -0.059 0.000 0.714 515 K HN 0.059 nan 8.250 nan 0.000 0.440 516 L N 1.777 122.864 121.223 -0.226 0.000 2.013 516 L HA -0.203 4.137 4.340 0.002 0.000 0.212 516 L C 2.104 178.621 176.870 -0.588 0.000 1.073 516 L CA 1.741 56.309 54.840 -0.454 0.000 0.753 516 L CB -0.332 41.498 42.059 -0.382 0.000 0.890 516 L HN 0.087 nan 8.230 nan 0.000 0.432 517 R N -0.855 119.448 120.500 -0.328 0.000 2.096 517 R HA -0.182 4.159 4.340 0.002 0.000 0.235 517 R C 2.046 178.201 176.300 -0.242 0.000 1.127 517 R CA 1.370 57.316 56.100 -0.257 0.000 0.968 517 R CB -0.680 29.514 30.300 -0.177 0.000 0.861 517 R HN 0.514 nan 8.270 nan 0.000 0.440 518 D N 0.840 121.155 120.400 -0.141 0.000 2.097 518 D HA -0.210 4.431 4.640 0.002 0.000 0.195 518 D C 1.858 178.166 176.300 0.014 0.000 0.989 518 D CA 1.240 55.249 54.000 0.014 0.000 0.827 518 D CB 0.058 40.906 40.800 0.081 0.000 0.966 518 D HN 0.222 nan 8.370 nan 0.000 0.456 519 Q N -0.956 118.796 119.800 -0.079 0.000 2.077 519 Q HA -0.211 4.130 4.340 0.002 0.000 0.206 519 Q C 1.495 177.567 176.000 0.120 0.000 0.989 519 Q CA 1.361 57.144 55.803 -0.033 0.000 0.853 519 Q CB -0.132 28.509 28.738 -0.161 0.000 0.907 519 Q HN 0.387 nan 8.270 nan 0.000 0.418 520 Y N 0.275 120.570 120.300 -0.008 0.000 2.490 520 Y HA 0.099 4.650 4.550 0.002 0.000 0.281 520 Y C 0.186 176.083 175.900 -0.005 0.000 1.174 520 Y CA 0.419 58.514 58.100 -0.008 0.000 1.295 520 Y CB -0.312 38.133 38.460 -0.025 0.000 1.062 520 Y HN 0.259 nan 8.280 nan 0.000 0.522 521 D N -0.110 120.374 120.400 0.140 0.000 2.723 521 D HA -0.210 4.431 4.640 0.002 0.000 0.236 521 D C -0.760 175.569 176.300 0.047 0.000 1.138 521 D CA 0.292 54.370 54.000 0.129 0.000 0.676 521 D CB -1.209 39.690 40.800 0.166 0.000 1.069 521 D HN 0.233 nan 8.370 nan 0.000 0.430 522 L N 2.029 123.176 121.223 -0.127 0.000 2.287 522 L HA 0.478 4.819 4.340 0.002 0.000 0.280 522 L C -0.968 175.745 176.870 -0.261 0.000 1.055 522 L CA -0.317 54.497 54.840 -0.043 0.000 0.863 522 L CB 0.709 42.820 42.059 0.087 0.000 1.245 522 L HN 0.109 nan 8.230 nan 0.000 0.432 523 H N 4.218 123.414 119.070 0.210 0.000 2.821 523 H HA 0.588 5.144 4.556 0.002 0.000 0.373 523 H C -2.568 172.558 175.328 -0.336 0.000 1.165 523 H CA -1.694 54.381 56.048 0.045 0.000 1.154 523 H CB 1.883 31.649 29.762 0.006 0.000 1.765 523 H HN 0.399 nan 8.280 nan 0.000 0.549 524 P HA 0.109 nan 4.420 nan 0.000 0.274 524 P C -0.181 176.765 177.300 -0.589 0.000 1.256 524 P CA -0.369 62.083 63.100 -1.080 0.000 0.795 524 P CB 1.097 32.189 31.700 -1.014 0.000 1.038 525 V N -2.284 117.283 119.914 -0.579 0.000 3.166 525 V HA 0.597 4.718 4.120 0.002 0.000 0.317 525 V C -1.067 174.644 176.094 -0.639 0.000 1.136 525 V CA -0.988 61.082 62.300 -0.383 0.000 1.035 525 V CB 1.195 32.917 31.823 -0.168 0.000 1.110 525 V HN 0.345 nan 8.190 nan 0.000 0.450 526 Y N 0.706 120.934 120.300 -0.119 0.000 2.364 526 Y HA 0.733 5.284 4.550 0.001 0.000 0.340 526 Y C 0.307 176.037 175.900 -0.283 0.000 0.975 526 Y CA -0.769 57.225 58.100 -0.177 0.000 1.089 526 Y CB 1.920 40.366 38.460 -0.022 0.000 1.192 526 Y HN 0.500 nan 8.280 nan 0.000 0.454 527 K N 2.949 123.069 120.400 -0.468 0.000 2.185 527 K HA 0.580 4.901 4.320 0.002 0.000 0.240 527 K C -0.451 175.915 176.600 -0.389 0.000 0.983 527 K CA -0.939 55.081 56.287 -0.445 0.000 0.873 527 K CB 1.853 34.047 32.500 -0.510 0.000 1.118 527 K HN 0.699 nan 8.250 nan 0.000 0.441 528 R N 0.266 120.682 120.500 -0.139 0.000 2.604 528 R HA 0.438 4.779 4.340 0.002 0.000 0.287 528 R C -0.355 175.969 176.300 0.040 0.000 0.970 528 R CA -0.988 55.075 56.100 -0.060 0.000 0.946 528 R CB 1.469 31.757 30.300 -0.020 0.000 1.127 528 R HN 0.201 nan 8.270 nan 0.000 0.473 529 V N 2.432 122.292 119.914 -0.090 0.000 2.583 529 V HA 0.038 4.159 4.120 0.002 0.000 0.287 529 V C 0.280 176.395 176.094 0.035 0.000 1.051 529 V CA 0.467 62.700 62.300 -0.111 0.000 1.010 529 V CB 1.224 32.626 31.823 -0.702 0.000 0.988 529 V HN 1.000 nan 8.190 nan 0.000 0.478 530 D N 0.438 120.922 120.400 0.141 0.000 2.530 530 D HA 0.031 4.672 4.640 0.002 0.000 0.290 530 D C 0.814 177.226 176.300 0.186 0.000 1.398 530 D CA 0.723 54.800 54.000 0.127 0.000 0.848 530 D CB -0.124 40.744 40.800 0.112 0.000 1.279 530 D HN 0.779 nan 8.370 nan 0.000 0.483 531 T N -2.212 112.488 114.554 0.243 0.000 8.466 531 T HA -0.367 3.983 4.350 0.002 0.000 0.319 531 T C 1.115 176.028 174.700 0.355 0.000 2.022 531 T CA 1.444 63.751 62.100 0.345 0.000 3.147 531 T CB -2.940 66.245 68.868 0.528 0.000 2.153 531 T HN 0.995 nan 8.240 nan 0.000 1.109 532 C N 0.695 120.147 119.300 0.253 0.000 3.101 532 C HA 0.885 5.346 4.460 0.002 0.000 0.253 532 C C 1.553 176.601 174.990 0.097 0.000 1.754 532 C CA -0.369 58.788 59.018 0.232 0.000 1.756 532 C CB -0.512 27.428 27.740 0.335 0.000 3.227 532 C HN 2.215 nan 8.230 nan 0.000 0.483 533 A N 0.275 123.128 122.820 0.055 0.000 2.640 533 A HA 0.258 4.579 4.320 0.002 0.000 0.300 533 A C 1.583 179.160 177.584 -0.013 0.000 1.499 533 A CA 1.538 53.577 52.037 0.002 0.000 0.759 533 A CB -1.825 17.155 19.000 -0.035 0.000 1.048 533 A HN 2.840 nan 8.150 nan 0.000 0.450 534 A N -2.052 120.773 122.820 0.008 0.000 2.979 534 A HA -0.318 4.003 4.320 0.002 0.000 0.260 534 A C 1.197 178.697 177.584 -0.139 0.000 1.282 534 A CA 2.249 54.268 52.037 -0.031 0.000 0.971 534 A CB -2.244 16.745 19.000 -0.018 0.000 1.124 534 A HN 1.794 nan 8.150 nan 0.000 0.826 535 E N -1.731 118.327 120.200 -0.236 0.000 2.204 535 E HA 0.094 4.445 4.350 0.002 0.000 0.194 535 E C 0.048 176.053 176.600 -0.992 0.000 0.989 535 E CA 0.907 56.944 56.400 -0.604 0.000 0.824 535 E CB 0.025 29.282 29.700 -0.738 0.000 0.756 535 E HN 0.729 nan 8.360 nan 0.000 0.477 536 F N -0.709 119.224 119.950 -0.029 0.000 2.603 536 F HA 0.539 5.067 4.527 0.001 0.000 0.317 536 F C 0.248 176.030 175.800 -0.028 0.000 1.066 536 F CA -0.995 56.981 58.000 -0.040 0.000 0.941 536 F CB 1.234 40.189 39.000 -0.074 0.000 1.291 536 F HN -0.184 nan 8.300 nan 0.000 0.472 537 A N 0.594 123.509 122.820 0.158 0.000 2.327 537 A HA 0.634 4.955 4.320 0.002 0.000 0.255 537 A C -0.115 177.514 177.584 0.075 0.000 1.099 537 A CA -0.045 52.041 52.037 0.082 0.000 0.801 537 A CB 0.563 19.595 19.000 0.053 0.000 1.062 537 A HN 0.734 nan 8.150 nan 0.000 0.496 538 T N -1.279 113.300 114.554 0.042 0.000 2.903 538 T HA 0.485 4.836 4.350 0.002 0.000 0.299 538 T C -0.687 174.018 174.700 0.008 0.000 1.093 538 T CA -0.548 61.565 62.100 0.021 0.000 1.002 538 T CB 1.293 70.173 68.868 0.020 0.000 1.127 538 T HN 0.543 nan 8.240 nan 0.000 0.488 539 D N 1.607 122.005 120.400 -0.003 0.000 2.469 539 D HA 0.169 4.810 4.640 0.002 0.000 0.213 539 D C 0.046 176.345 176.300 -0.002 0.000 1.135 539 D CA 0.177 54.176 54.000 -0.001 0.000 0.834 539 D CB 0.903 41.704 40.800 0.001 0.000 1.009 539 D HN 0.475 nan 8.370 nan 0.000 0.507 540 T N 0.867 115.412 114.554 -0.015 0.000 2.856 540 T HA 0.464 4.815 4.350 0.002 0.000 0.292 540 T C 0.374 175.081 174.700 0.012 0.000 0.980 540 T CA -0.377 61.715 62.100 -0.013 0.000 1.091 540 T CB 2.001 70.808 68.868 -0.102 0.000 0.936 540 T HN -0.051 nan 8.240 nan 0.000 0.503 541 A N 3.507 126.341 122.820 0.023 0.000 3.095 541 A HA 0.377 4.698 4.320 0.002 0.000 0.301 541 A C -0.692 176.914 177.584 0.037 0.000 1.432 541 A CA -0.500 51.531 52.037 -0.010 0.000 1.140 541 A CB -0.419 18.551 19.000 -0.050 0.000 1.174 541 A HN 0.733 nan 8.150 nan 0.000 0.546 542 Y N 2.877 123.134 120.300 -0.071 0.000 2.417 542 Y HA 0.696 5.247 4.550 0.002 0.000 0.336 542 Y C -0.538 175.351 175.900 -0.019 0.000 0.961 542 Y CA -1.763 56.332 58.100 -0.009 0.000 1.215 542 Y CB 0.430 38.917 38.460 0.044 0.000 1.120 542 Y HN 0.559 nan 8.280 nan 0.000 0.499 543 M N 6.765 126.443 119.600 0.131 0.000 2.690 543 M HA 0.514 4.995 4.480 0.002 0.000 0.302 543 M C -1.555 174.880 176.300 0.226 0.000 1.234 543 M CA -1.150 54.144 55.300 -0.011 0.000 0.853 543 M CB 2.880 35.322 32.600 -0.262 0.000 1.748 543 M HN 0.514 nan 8.290 nan 0.000 0.469 544 Y N -1.417 118.957 120.300 0.122 0.000 2.534 544 Y HA 0.807 5.358 4.550 0.002 0.000 0.345 544 Y C -0.647 175.358 175.900 0.175 0.000 1.031 544 Y CA -1.399 56.803 58.100 0.169 0.000 1.022 544 Y CB 0.935 39.370 38.460 -0.043 0.000 1.292 544 Y HN 0.729 nan 8.280 nan 0.000 0.459 545 S N 1.684 117.500 115.700 0.194 0.000 2.586 545 S HA 0.787 5.258 4.470 0.002 0.000 0.274 545 S C -0.397 174.154 174.600 -0.081 0.000 1.281 545 S CA -0.055 58.004 58.200 -0.235 0.000 1.035 545 S CB 1.605 64.662 63.200 -0.238 0.000 0.962 545 S HN 1.086 nan 8.310 nan 0.000 0.512 546 T N 1.092 115.477 114.554 -0.282 0.000 2.886 546 T HA 0.400 4.751 4.350 0.002 0.000 0.330 546 T C -2.089 172.476 174.700 -0.224 0.000 1.488 546 T CA -0.546 61.501 62.100 -0.089 0.000 1.054 546 T CB 0.651 69.555 68.868 0.060 0.000 1.348 546 T HN 0.569 nan 8.240 nan 0.000 0.489 547 Y N 2.481 122.773 120.300 -0.014 0.000 2.714 547 Y HA 0.538 5.089 4.550 0.001 0.000 0.333 547 Y C 0.793 176.695 175.900 0.003 0.000 1.220 547 Y CA -0.338 57.755 58.100 -0.011 0.000 1.513 547 Y CB 0.372 38.835 38.460 0.006 0.000 1.435 547 Y HN 0.557 nan 8.280 nan 0.000 0.489 548 E N -0.153 120.065 120.200 0.029 0.000 2.449 548 E HA 0.288 4.639 4.350 0.002 0.000 0.254 548 E C 0.565 177.173 176.600 0.014 0.000 0.907 548 E CA -0.557 55.864 56.400 0.035 0.000 0.840 548 E CB 1.198 30.916 29.700 0.030 0.000 1.459 548 E HN 0.209 nan 8.360 nan 0.000 0.407 549 E N 0.822 121.033 120.200 0.019 0.000 2.004 549 E HA -0.072 4.279 4.350 0.002 0.000 0.192 549 E C -0.094 176.510 176.600 0.007 0.000 0.987 549 E CA 0.865 57.276 56.400 0.018 0.000 0.822 549 E CB -0.156 29.557 29.700 0.021 0.000 0.779 549 E HN 0.429 nan 8.360 nan 0.000 0.458 550 E N 0.425 120.626 120.200 0.002 0.000 2.289 550 E HA 0.094 4.445 4.350 0.002 0.000 0.278 550 E C -1.050 175.543 176.600 -0.011 0.000 1.032 550 E CA -0.200 56.200 56.400 0.001 0.000 0.854 550 E CB 0.860 30.562 29.700 0.004 0.000 1.046 550 E HN 0.096 nan 8.360 nan 0.000 0.409 551 C N 4.708 124.010 119.300 0.003 0.000 2.341 551 C HA 0.300 4.761 4.460 0.002 0.000 0.338 551 C C 0.604 175.610 174.990 0.027 0.000 1.257 551 C CA -0.330 58.699 59.018 0.018 0.000 1.883 551 C CB 0.066 27.838 27.740 0.054 0.000 2.334 551 C HN 0.907 nan 8.230 nan 0.000 0.524 552 E N 3.109 123.325 120.200 0.027 0.000 2.501 552 E HA 0.127 4.478 4.350 0.002 0.000 0.201 552 E C 1.573 178.189 176.600 0.027 0.000 1.016 552 E CA 0.279 56.688 56.400 0.015 0.000 0.920 552 E CB 0.383 30.075 29.700 -0.013 0.000 1.023 552 E HN 0.803 nan 8.360 nan 0.000 0.474 553 A N 2.114 124.979 122.820 0.076 0.000 1.883 553 A HA -0.267 4.054 4.320 0.002 0.000 0.217 553 A C 1.225 178.820 177.584 0.018 0.000 1.186 553 A CA 1.390 53.454 52.037 0.046 0.000 0.624 553 A CB -0.758 18.294 19.000 0.087 0.000 0.822 553 A HN 0.515 nan 8.150 nan 0.000 0.444 554 N N -0.456 118.261 118.700 0.029 0.000 2.689 554 N HA -0.125 4.616 4.740 0.002 0.000 0.263 554 N C -2.425 173.095 175.510 0.016 0.000 0.987 554 N CA 0.149 53.211 53.050 0.019 0.000 0.782 554 N CB -0.686 37.808 38.487 0.013 0.000 0.903 554 N HN 0.369 nan 8.380 nan 0.000 0.547 555 P HA 0.104 nan 4.420 nan 0.000 0.271 555 P C -0.413 176.897 177.300 0.017 0.000 1.218 555 P CA -0.115 62.998 63.100 0.022 0.000 0.780 555 P CB 0.943 32.657 31.700 0.023 0.000 0.901 556 S N 0.635 116.346 115.700 0.019 0.000 2.576 556 S HA 0.224 4.695 4.470 0.002 0.000 0.276 556 S C 1.287 175.895 174.600 0.013 0.000 1.339 556 S CA 0.086 58.296 58.200 0.016 0.000 1.039 556 S CB 0.155 63.366 63.200 0.018 0.000 0.902 556 S HN 0.714 nan 8.310 nan 0.000 0.516 557 T N -2.320 112.240 114.554 0.010 0.000 3.003 557 T HA 0.155 4.506 4.350 0.002 0.000 0.261 557 T C 0.810 175.513 174.700 0.006 0.000 1.003 557 T CA -0.165 61.940 62.100 0.008 0.000 0.917 557 T CB 0.037 68.908 68.868 0.006 0.000 1.084 557 T HN 0.348 nan 8.240 nan 0.000 0.522 558 D N 1.818 122.221 120.400 0.006 0.000 2.084 558 D HA 0.071 4.712 4.640 0.002 0.000 0.196 558 D C 1.012 177.311 176.300 -0.000 0.000 0.985 558 D CA 0.886 54.887 54.000 0.002 0.000 0.826 558 D CB 0.235 41.036 40.800 0.002 0.000 0.978 558 D HN 0.370 nan 8.370 nan 0.000 0.456 559 R N 0.885 121.389 120.500 0.007 0.000 2.720 559 R HA 0.303 4.643 4.340 0.002 0.000 0.272 559 R C -0.167 176.150 176.300 0.029 0.000 0.991 559 R CA -0.518 55.588 56.100 0.009 0.000 1.010 559 R CB 1.176 31.487 30.300 0.018 0.000 1.141 559 R HN 0.168 nan 8.270 nan 0.000 0.494 560 E N 2.541 122.762 120.200 0.036 0.000 2.152 560 E HA 0.211 4.562 4.350 0.002 0.000 0.285 560 E C -0.878 175.836 176.600 0.189 0.000 1.043 560 E CA -0.306 56.154 56.400 0.100 0.000 0.839 560 E CB 0.784 30.555 29.700 0.119 0.000 1.069 560 E HN 0.241 nan 8.360 nan 0.000 0.399 561 K N 3.065 123.548 120.400 0.139 0.000 2.203 561 K HA 0.531 4.852 4.320 0.002 0.000 0.251 561 K C -0.459 176.176 176.600 0.058 0.000 0.944 561 K CA -0.709 55.647 56.287 0.115 0.000 0.829 561 K CB 1.745 34.282 32.500 0.062 0.000 1.125 561 K HN 0.409 nan 8.250 nan 0.000 0.430 562 I N 2.830 123.408 120.570 0.014 0.000 2.436 562 I HA 0.330 4.501 4.170 0.002 0.000 0.289 562 I C -0.727 175.355 176.117 -0.059 0.000 1.010 562 I CA -0.609 60.635 61.300 -0.093 0.000 1.098 562 I CB 1.716 39.558 38.000 -0.262 0.000 1.266 562 I HN 0.683 nan 8.210 nan 0.000 0.434 563 M N 6.477 126.035 119.600 -0.069 0.000 2.336 563 M HA 0.578 5.059 4.480 0.002 0.000 0.342 563 M C -1.516 174.741 176.300 -0.072 0.000 1.128 563 M CA -0.559 54.710 55.300 -0.052 0.000 1.016 563 M CB 1.806 34.370 32.600 -0.060 0.000 1.665 563 M HN 0.319 nan 8.290 nan 0.000 0.445 564 V N 6.193 126.079 119.914 -0.047 0.000 2.487 564 V HA 0.455 4.576 4.120 0.002 0.000 0.298 564 V C -0.490 175.591 176.094 -0.022 0.000 1.028 564 V CA -0.766 61.504 62.300 -0.049 0.000 0.860 564 V CB 1.750 33.561 31.823 -0.021 0.000 0.991 564 V HN 0.789 nan 8.190 nan 0.000 0.427 565 L N 4.301 125.510 121.223 -0.023 0.000 2.272 565 L HA 0.638 4.978 4.340 0.002 0.000 0.289 565 L C 1.090 177.964 176.870 0.007 0.000 1.032 565 L CA -0.246 54.586 54.840 -0.015 0.000 0.810 565 L CB 1.299 43.343 42.059 -0.025 0.000 1.205 565 L HN 0.793 nan 8.230 nan 0.000 0.422 566 G N 1.493 110.290 108.800 -0.005 0.000 2.653 566 G HA2 0.315 4.276 3.960 0.002 0.000 0.265 566 G HA3 0.315 4.276 3.960 0.002 0.000 0.265 566 G C 0.833 175.728 174.900 -0.008 0.000 1.237 566 G CA 0.129 45.227 45.100 -0.003 0.000 0.946 566 G HN 0.801 nan 8.290 nan 0.000 0.522 567 G N -1.791 107.008 108.800 -0.003 0.000 3.126 567 G HA2 0.521 4.482 3.960 0.002 0.000 0.224 567 G HA3 0.521 4.482 3.960 0.002 0.000 0.224 567 G C 0.967 175.848 174.900 -0.032 0.000 1.142 567 G CA 0.847 45.934 45.100 -0.022 0.000 0.759 567 G HN 1.892 nan 8.290 nan 0.000 0.550 568 G N 0.618 109.395 108.800 -0.039 0.000 2.584 568 G HA2 -0.140 3.821 3.960 0.002 0.000 0.229 568 G HA3 -0.140 3.821 3.960 0.002 0.000 0.229 568 G C -2.521 172.362 174.900 -0.030 0.000 1.320 568 G CA -0.326 44.751 45.100 -0.038 0.000 0.891 568 G HN 0.352 nan 8.290 nan 0.000 0.573 569 P HA 0.209 nan 4.420 nan 0.000 0.270 569 P C -0.166 177.124 177.300 -0.017 0.000 1.223 569 P CA -0.057 63.031 63.100 -0.021 0.000 0.785 569 P CB 0.262 31.950 31.700 -0.020 0.000 0.923 570 N N 1.340 120.029 118.700 -0.019 0.000 2.530 570 N HA 0.472 5.213 4.740 0.002 0.000 0.277 570 N C -0.074 175.426 175.510 -0.017 0.000 1.168 570 N CA -0.381 52.667 53.050 -0.002 0.000 0.979 570 N CB 0.567 39.053 38.487 -0.001 0.000 1.141 570 N HN 0.325 nan 8.380 nan 0.000 0.459 571 R N 0.336 120.835 120.500 -0.002 0.000 2.752 571 R HA 0.425 4.766 4.340 0.002 0.000 0.271 571 R C -1.033 175.271 176.300 0.007 0.000 1.026 571 R CA -0.813 55.282 56.100 -0.008 0.000 0.901 571 R CB 0.791 31.083 30.300 -0.013 0.000 1.243 571 R HN 0.413 nan 8.270 nan 0.000 0.463 572 I N 2.248 122.819 120.570 0.002 0.000 2.752 572 I HA 0.082 4.252 4.170 0.002 0.000 0.286 572 I C 1.142 177.246 176.117 -0.022 0.000 1.180 572 I CA 1.860 63.156 61.300 -0.007 0.000 1.404 572 I CB 0.132 38.130 38.000 -0.003 0.000 1.389 572 I HN 0.985 nan 8.210 nan 0.000 0.549 573 G N 4.741 113.546 108.800 0.008 0.000 2.194 573 G HA2 -0.207 3.754 3.960 0.002 0.000 0.236 573 G HA3 -0.207 3.754 3.960 0.002 0.000 0.236 573 G C 0.278 175.291 174.900 0.189 0.000 0.987 573 G CA -0.418 44.710 45.100 0.046 0.000 0.635 573 G HN 0.538 nan 8.290 nan 0.000 0.520 574 Q N 0.749 120.647 119.800 0.164 0.000 3.230 574 Q HA 0.522 4.863 4.340 0.002 0.000 0.303 574 Q C 0.652 176.814 176.000 0.269 0.000 0.884 574 Q CA 0.357 56.305 55.803 0.242 0.000 0.859 574 Q CB 0.868 29.611 28.738 0.008 0.000 1.432 574 Q HN 0.556 nan 8.270 nan 0.000 0.403 575 G N 0.144 109.120 108.800 0.294 0.000 2.782 575 G HA2 0.339 4.300 3.960 0.002 0.000 0.201 575 G HA3 0.339 4.300 3.960 0.002 0.000 0.201 575 G C 0.766 175.726 174.900 0.099 0.000 1.374 575 G CA -0.555 44.621 45.100 0.128 0.000 1.039 575 G HN 0.430 nan 8.290 nan 0.000 0.576 576 I N -0.100 120.478 120.570 0.013 0.000 2.335 576 I HA -0.164 4.007 4.170 0.002 0.000 0.251 576 I C 2.552 178.640 176.117 -0.048 0.000 1.129 576 I CA 1.669 62.971 61.300 0.003 0.000 1.402 576 I CB 0.017 38.016 38.000 -0.001 0.000 1.069 576 I HN 0.539 nan 8.210 nan 0.000 0.424 577 E N 0.453 120.537 120.200 -0.194 0.000 2.118 577 E HA -0.238 4.112 4.350 0.002 0.000 0.195 577 E C 1.854 178.223 176.600 -0.385 0.000 0.992 577 E CA 1.797 57.974 56.400 -0.371 0.000 0.804 577 E CB -0.401 28.932 29.700 -0.611 0.000 0.741 577 E HN 0.528 nan 8.360 nan 0.000 0.458 578 F N 0.455 120.403 119.950 -0.003 0.000 2.206 578 F HA -0.064 4.464 4.527 0.001 0.000 0.298 578 F C 2.077 177.891 175.800 0.023 0.000 1.090 578 F CA 1.273 59.274 58.000 0.001 0.000 1.323 578 F CB -0.543 38.459 39.000 0.004 0.000 1.028 578 F HN 0.005 nan 8.300 nan 0.000 0.492 579 D N -1.184 119.312 120.400 0.159 0.000 2.178 579 D HA -0.261 4.380 4.640 0.002 0.000 0.202 579 D C 2.133 178.480 176.300 0.078 0.000 0.974 579 D CA 0.851 54.915 54.000 0.107 0.000 0.841 579 D CB -0.227 40.617 40.800 0.073 0.000 0.953 579 D HN 0.311 nan 8.370 nan 0.000 0.478 580 Y N 0.412 120.651 120.300 -0.102 0.000 2.181 580 Y HA -0.237 4.314 4.550 0.002 0.000 0.288 580 Y C 2.134 177.880 175.900 -0.256 0.000 1.146 580 Y CA 1.489 59.469 58.100 -0.200 0.000 1.164 580 Y CB -0.471 37.838 38.460 -0.251 0.000 0.982 580 Y HN 0.139 nan 8.280 nan 0.000 0.515 581 C N -0.672 118.616 119.300 -0.020 0.000 2.429 581 C HA -0.212 4.249 4.460 0.002 0.000 0.277 581 C C 2.958 178.002 174.990 0.090 0.000 1.262 581 C CA 0.978 59.905 59.018 -0.152 0.000 1.733 581 C CB -1.733 25.756 27.740 -0.419 0.000 2.010 581 C HN 0.777 nan 8.230 nan 0.000 0.483 582 C N 0.365 119.767 119.300 0.171 0.000 2.432 582 C HA -0.095 4.366 4.460 0.002 0.000 0.277 582 C C 2.763 177.839 174.990 0.143 0.000 1.249 582 C CA 1.044 60.202 59.018 0.234 0.000 1.725 582 C CB -1.405 26.427 27.740 0.153 0.000 2.028 582 C HN 0.532 nan 8.230 nan 0.000 0.477 583 V N 0.001 119.948 119.914 0.054 0.000 2.332 583 V HA -0.289 3.832 4.120 0.002 0.000 0.248 583 V C 2.282 178.436 176.094 0.099 0.000 1.055 583 V CA 2.185 64.505 62.300 0.033 0.000 1.038 583 V CB -0.956 30.853 31.823 -0.024 0.000 0.651 583 V HN 0.676 nan 8.190 nan 0.000 0.450 584 H N -0.659 118.346 119.070 -0.108 0.000 2.389 584 H HA -0.092 4.465 4.556 0.002 0.000 0.299 584 H C 2.330 177.681 175.328 0.037 0.000 1.081 584 H CA 0.974 56.967 56.048 -0.092 0.000 1.345 584 H CB 0.090 29.757 29.762 -0.157 0.000 1.393 584 H HN 0.488 nan 8.280 nan 0.000 0.520 585 A N 0.237 123.220 122.820 0.271 0.000 1.902 585 A HA -0.211 4.110 4.320 0.002 0.000 0.217 585 A C 2.536 180.162 177.584 0.070 0.000 1.181 585 A CA 1.807 53.960 52.037 0.192 0.000 0.623 585 A CB -0.745 18.343 19.000 0.147 0.000 0.818 585 A HN 0.373 nan 8.150 nan 0.000 0.443 586 S N -0.371 115.372 115.700 0.071 0.000 2.348 586 S HA -0.111 4.360 4.470 0.002 0.000 0.221 586 S C 1.981 176.602 174.600 0.034 0.000 1.033 586 S CA 1.495 59.719 58.200 0.040 0.000 1.010 586 S CB -0.560 62.663 63.200 0.038 0.000 0.891 586 S HN 0.471 nan 8.310 nan 0.000 0.442 587 L N 1.235 122.472 121.223 0.024 0.000 2.017 587 L HA -0.071 4.270 4.340 0.002 0.000 0.208 587 L C 3.034 179.899 176.870 -0.009 0.000 1.073 587 L CA 1.373 56.210 54.840 -0.005 0.000 0.745 587 L CB -0.888 41.144 42.059 -0.046 0.000 0.894 587 L HN 0.415 nan 8.230 nan 0.000 0.432 588 A N 0.428 123.239 122.820 -0.016 0.000 1.877 588 A HA -0.149 4.172 4.320 0.002 0.000 0.216 588 A C 2.275 179.889 177.584 0.050 0.000 1.186 588 A CA 1.504 53.541 52.037 -0.001 0.000 0.620 588 A CB -0.808 18.193 19.000 0.002 0.000 0.822 588 A HN 0.365 nan 8.150 nan 0.000 0.443 589 L N -1.161 120.097 121.223 0.058 0.000 2.131 589 L HA -0.172 4.168 4.340 0.002 0.000 0.210 589 L C 2.794 179.792 176.870 0.213 0.000 1.092 589 L CA 1.728 56.647 54.840 0.131 0.000 0.759 589 L CB -0.530 41.512 42.059 -0.028 0.000 0.903 589 L HN 0.485 nan 8.230 nan 0.000 0.435 590 R N 0.755 121.325 120.500 0.116 0.000 2.066 590 R HA -0.224 4.117 4.340 0.002 0.000 0.232 590 R C 2.251 178.592 176.300 0.068 0.000 1.131 590 R CA 1.725 57.882 56.100 0.095 0.000 0.955 590 R CB -0.062 30.273 30.300 0.058 0.000 0.851 590 R HN 0.270 nan 8.270 nan 0.000 0.432 591 E N 0.710 120.941 120.200 0.051 0.000 2.118 591 E HA -0.213 4.138 4.350 0.002 0.000 0.195 591 E C 1.061 177.680 176.600 0.032 0.000 0.992 591 E CA 2.093 58.510 56.400 0.029 0.000 0.804 591 E CB -0.157 29.552 29.700 0.015 0.000 0.741 591 E HN 0.336 nan 8.360 nan 0.000 0.458 592 D N -1.507 118.933 120.400 0.066 0.000 2.312 592 D HA 0.087 4.728 4.640 0.002 0.000 0.211 592 D C 1.137 177.421 176.300 -0.027 0.000 0.964 592 D CA 1.245 55.281 54.000 0.060 0.000 0.877 592 D CB 0.474 41.377 40.800 0.172 0.000 0.924 592 D HN 0.410 nan 8.370 nan 0.000 0.515 593 G N -1.305 107.480 108.800 -0.025 0.000 2.229 593 G HA2 -0.227 3.734 3.960 0.002 0.000 0.189 593 G HA3 -0.227 3.734 3.960 0.002 0.000 0.189 593 G C -0.045 174.756 174.900 -0.164 0.000 1.000 593 G CA -0.532 44.495 45.100 -0.122 0.000 0.663 593 G HN 0.243 nan 8.290 nan 0.000 0.493 594 Y N 1.066 121.365 120.300 -0.001 0.000 2.300 594 Y HA 0.537 5.088 4.550 0.002 0.000 0.328 594 Y C 0.928 176.830 175.900 0.003 0.000 1.270 594 Y CA -0.179 57.920 58.100 -0.001 0.000 1.352 594 Y CB 0.721 39.179 38.460 -0.004 0.000 1.286 594 Y HN 0.147 nan 8.280 nan 0.000 0.536 595 E N 1.551 121.861 120.200 0.182 0.000 2.130 595 E HA 0.183 4.534 4.350 0.002 0.000 0.284 595 E C -0.995 175.673 176.600 0.113 0.000 1.018 595 E CA -0.542 55.924 56.400 0.110 0.000 0.817 595 E CB 0.557 30.302 29.700 0.074 0.000 1.078 595 E HN 0.680 nan 8.360 nan 0.000 0.396 596 T N 2.443 117.049 114.554 0.087 0.000 2.795 596 T HA 0.550 4.901 4.350 0.002 0.000 0.282 596 T C 0.078 174.815 174.700 0.061 0.000 0.980 596 T CA -0.758 61.379 62.100 0.061 0.000 1.012 596 T CB 0.643 69.540 68.868 0.049 0.000 0.936 596 T HN 0.332 nan 8.240 nan 0.000 0.457 597 I N 3.468 124.070 120.570 0.055 0.000 2.382 597 I HA 0.406 4.577 4.170 0.002 0.000 0.286 597 I C -0.344 175.816 176.117 0.073 0.000 1.002 597 I CA -0.944 60.410 61.300 0.090 0.000 1.135 597 I CB 1.864 39.923 38.000 0.099 0.000 1.288 597 I HN 0.583 nan 8.210 nan 0.000 0.448 598 M N 7.900 127.556 119.600 0.094 0.000 2.300 598 M HA 0.556 5.037 4.480 0.002 0.000 0.348 598 M C -1.404 174.952 176.300 0.093 0.000 1.151 598 M CA -0.291 55.045 55.300 0.061 0.000 1.046 598 M CB 1.516 34.133 32.600 0.028 0.000 1.647 598 M HN 0.288 nan 8.290 nan 0.000 0.451 599 V N 5.551 125.490 119.914 0.041 0.000 2.409 599 V HA 0.698 4.819 4.120 0.002 0.000 0.290 599 V C -0.699 175.376 176.094 -0.032 0.000 1.017 599 V CA -0.559 61.764 62.300 0.040 0.000 0.841 599 V CB 1.137 32.967 31.823 0.012 0.000 1.003 599 V HN 0.957 nan 8.190 nan 0.000 0.426 600 N N 2.645 121.279 118.700 -0.110 0.000 3.348 600 N HA 0.445 5.186 4.740 0.002 0.000 0.233 600 N C -0.466 174.750 175.510 -0.491 0.000 1.440 600 N CA -0.098 52.825 53.050 -0.212 0.000 0.887 600 N CB 1.824 40.199 38.487 -0.188 0.000 1.410 600 N HN 0.670 nan 8.380 nan 0.000 0.502 601 C N -0.145 118.877 119.300 -0.462 0.000 3.395 601 C HA 0.532 4.993 4.460 0.002 0.000 0.264 601 C C -0.069 174.770 174.990 -0.252 0.000 2.141 601 C CA -1.032 57.613 59.018 -0.621 0.000 1.689 601 C CB -1.536 26.187 27.740 -0.029 0.000 3.416 601 C HN 0.575 nan 8.230 nan 0.000 0.432 602 N N 3.202 121.738 118.700 -0.274 0.000 2.406 602 N HA 0.314 5.055 4.740 0.002 0.000 0.251 602 N C -1.165 174.334 175.510 -0.019 0.000 1.069 602 N CA -1.936 51.064 53.050 -0.085 0.000 0.947 602 N CB 1.683 40.116 38.487 -0.090 0.000 1.111 602 N HN 0.301 nan 8.380 nan 0.000 0.497 603 P HA -0.024 nan 4.420 nan 0.000 0.229 603 P C 0.426 177.668 177.300 -0.096 0.000 1.160 603 P CA 0.930 64.120 63.100 0.150 0.000 0.777 603 P CB 0.532 32.313 31.700 0.134 0.000 0.814 604 E N -0.033 120.104 120.200 -0.104 0.000 2.274 604 E HA -0.032 4.319 4.350 0.002 0.000 0.194 604 E C 1.028 177.535 176.600 -0.156 0.000 0.996 604 E CA 0.706 57.019 56.400 -0.145 0.000 0.840 604 E CB -0.131 29.514 29.700 -0.092 0.000 0.772 604 E HN 0.381 nan 8.360 nan 0.000 0.491 605 T N -2.666 111.801 114.554 -0.145 0.000 2.847 605 T HA 0.175 4.526 4.350 0.002 0.000 0.279 605 T C 1.249 175.915 174.700 -0.057 0.000 0.984 605 T CA -0.766 61.290 62.100 -0.074 0.000 0.988 605 T CB 1.701 70.537 68.868 -0.053 0.000 1.040 605 T HN -0.219 nan 8.240 nan 0.000 0.528 606 V N 1.567 121.518 119.914 0.062 0.000 2.788 606 V HA -0.059 4.062 4.120 0.002 0.000 0.251 606 V C 2.962 179.071 176.094 0.024 0.000 1.068 606 V CA 1.644 64.013 62.300 0.116 0.000 1.090 606 V CB -0.739 31.143 31.823 0.098 0.000 0.710 606 V HN 1.077 nan 8.190 nan 0.000 0.467 607 S N 0.828 116.520 115.700 -0.013 0.000 2.423 607 S HA -0.162 4.309 4.470 0.002 0.000 0.231 607 S C 1.724 176.278 174.600 -0.076 0.000 1.014 607 S CA 1.494 59.674 58.200 -0.033 0.000 0.965 607 S CB -0.724 62.459 63.200 -0.028 0.000 0.785 607 S HN 0.698 nan 8.310 nan 0.000 0.495 608 T N -0.695 113.787 114.554 -0.119 0.000 3.244 608 T HA 0.223 4.574 4.350 0.002 0.000 0.254 608 T C -0.158 174.464 174.700 -0.129 0.000 1.024 608 T CA -0.471 61.537 62.100 -0.152 0.000 0.920 608 T CB -0.245 68.482 68.868 -0.236 0.000 1.042 608 T HN 0.283 nan 8.240 nan 0.000 0.572 609 D N 1.345 121.684 120.400 -0.102 0.000 2.232 609 D HA 0.100 4.741 4.640 0.002 0.000 0.242 609 D C 0.999 177.186 176.300 -0.190 0.000 1.093 609 D CA -0.959 52.971 54.000 -0.117 0.000 0.845 609 D CB 1.006 41.830 40.800 0.041 0.000 1.124 609 D HN 0.422 nan 8.370 nan 0.000 0.467 610 Y N 1.764 121.978 120.300 -0.144 0.000 2.569 610 Y HA -0.009 4.542 4.550 0.002 0.000 0.293 610 Y C 1.153 177.031 175.900 -0.037 0.000 1.144 610 Y CA 0.509 58.521 58.100 -0.147 0.000 1.321 610 Y CB -0.253 38.112 38.460 -0.158 0.000 0.982 610 Y HN 0.217 nan 8.280 nan 0.000 0.558 611 D N 0.231 120.495 120.400 -0.226 0.000 2.289 611 D HA -0.068 4.573 4.640 0.002 0.000 0.207 611 D C 1.667 177.954 176.300 -0.022 0.000 0.966 611 D CA 1.300 55.259 54.000 -0.069 0.000 0.868 611 D CB -0.069 40.636 40.800 -0.159 0.000 0.943 611 D HN 0.454 nan 8.370 nan 0.000 0.514 612 T N -0.125 114.409 114.554 -0.035 0.000 2.962 612 T HA -0.032 4.319 4.350 0.002 0.000 0.270 612 T C 1.105 175.814 174.700 0.015 0.000 1.088 612 T CA 0.673 62.769 62.100 -0.007 0.000 1.127 612 T CB 0.136 68.999 68.868 -0.009 0.000 0.883 612 T HN 0.201 nan 8.240 nan 0.000 0.493 613 S N -0.513 115.204 115.700 0.028 0.000 2.705 613 S HA 0.402 4.873 4.470 0.002 0.000 0.280 613 S C -0.180 174.451 174.600 0.052 0.000 1.174 613 S CA -0.949 57.274 58.200 0.039 0.000 0.823 613 S CB 1.462 64.684 63.200 0.037 0.000 1.162 613 S HN -0.089 nan 8.310 nan 0.000 0.487 614 D N 0.655 121.086 120.400 0.053 0.000 2.162 614 D HA 0.092 4.733 4.640 0.002 0.000 0.203 614 D C 0.173 176.500 176.300 0.045 0.000 0.967 614 D CA 1.111 55.143 54.000 0.052 0.000 0.840 614 D CB 0.103 40.933 40.800 0.051 0.000 0.972 614 D HN 0.422 nan 8.370 nan 0.000 0.482 615 R N 0.039 120.566 120.500 0.045 0.000 2.574 615 R HA 0.477 4.817 4.340 0.002 0.000 0.288 615 R C -1.368 174.948 176.300 0.027 0.000 1.004 615 R CA -0.765 55.342 56.100 0.012 0.000 0.895 615 R CB 2.307 32.611 30.300 0.007 0.000 1.191 615 R HN -0.109 nan 8.270 nan 0.000 0.444 616 L N 3.080 124.290 121.223 -0.022 0.000 2.325 616 L HA 0.469 4.810 4.340 0.002 0.000 0.281 616 L C -1.694 175.175 176.870 -0.003 0.000 1.004 616 L CA -0.630 54.232 54.840 0.037 0.000 0.823 616 L CB 1.021 43.103 42.059 0.039 0.000 1.236 616 L HN 0.542 nan 8.230 nan 0.000 0.415 617 Y N 5.309 125.685 120.300 0.126 0.000 2.402 617 Y HA 0.342 4.893 4.550 0.001 0.000 0.332 617 Y C -0.514 175.519 175.900 0.223 0.000 0.960 617 Y CA -0.236 57.966 58.100 0.170 0.000 1.228 617 Y CB 1.247 39.737 38.460 0.051 0.000 1.120 617 Y HN 0.529 nan 8.280 nan 0.000 0.491 618 F N 5.022 125.170 119.950 0.330 0.000 2.567 618 F HA 0.316 4.844 4.527 0.001 0.000 0.352 618 F C -0.187 175.756 175.800 0.239 0.000 1.229 618 F CA -0.376 57.790 58.000 0.277 0.000 1.228 618 F CB -0.307 38.917 39.000 0.373 0.000 1.568 618 F HN 0.418 nan 8.300 nan 0.000 0.634 619 E N 4.344 124.740 120.200 0.327 0.000 2.416 619 E HA 0.388 4.739 4.350 0.002 0.000 0.273 619 E C -2.738 173.947 176.600 0.143 0.000 0.935 619 E CA -2.311 54.254 56.400 0.274 0.000 0.784 619 E CB 1.579 31.442 29.700 0.271 0.000 1.301 619 E HN 0.093 nan 8.360 nan 0.000 0.454 620 P HA 0.049 nan 4.420 nan 0.000 0.268 620 P C -0.135 177.197 177.300 0.053 0.000 1.205 620 P CA -0.190 62.957 63.100 0.079 0.000 0.771 620 P CB 0.394 32.142 31.700 0.079 0.000 0.858 621 V N 3.325 123.252 119.914 0.022 0.000 2.222 621 V HA 0.234 4.355 4.120 0.002 0.000 0.253 621 V C 0.858 176.957 176.094 0.008 0.000 1.210 621 V CA 0.087 62.391 62.300 0.007 0.000 1.079 621 V CB -0.820 30.994 31.823 -0.014 0.000 1.265 621 V HN 0.727 nan 8.190 nan 0.000 0.494 622 T N 0.241 114.808 114.554 0.020 0.000 2.887 622 T HA 0.544 4.895 4.350 0.002 0.000 0.292 622 T C 0.608 175.320 174.700 0.019 0.000 1.087 622 T CA -0.681 61.431 62.100 0.021 0.000 1.009 622 T CB 2.057 70.948 68.868 0.038 0.000 1.203 622 T HN 0.115 nan 8.240 nan 0.000 0.518 623 L N 0.770 122.003 121.223 0.017 0.000 2.042 623 L HA 0.044 4.385 4.340 0.002 0.000 0.210 623 L C 2.600 179.487 176.870 0.028 0.000 1.076 623 L CA 2.268 57.117 54.840 0.014 0.000 0.749 623 L CB -0.860 41.206 42.059 0.012 0.000 0.893 623 L HN 0.979 nan 8.230 nan 0.000 0.432 624 E N -0.677 119.550 120.200 0.044 0.000 2.038 624 E HA -0.259 4.092 4.350 0.002 0.000 0.195 624 E C 1.734 178.379 176.600 0.076 0.000 1.000 624 E CA 1.743 58.182 56.400 0.066 0.000 0.803 624 E CB -0.164 29.586 29.700 0.083 0.000 0.750 624 E HN 0.616 nan 8.360 nan 0.000 0.448 625 D N 0.102 120.547 120.400 0.075 0.000 2.144 625 D HA -0.140 4.501 4.640 0.002 0.000 0.199 625 D C 2.148 178.475 176.300 0.045 0.000 0.984 625 D CA 1.098 55.150 54.000 0.087 0.000 0.834 625 D CB -0.035 40.826 40.800 0.102 0.000 0.955 625 D HN 0.161 nan 8.370 nan 0.000 0.465 626 V N 1.566 121.487 119.914 0.011 0.000 2.358 626 V HA -0.196 3.925 4.120 0.002 0.000 0.246 626 V C 2.687 178.753 176.094 -0.047 0.000 1.047 626 V CA 1.032 63.310 62.300 -0.036 0.000 1.035 626 V CB -0.459 31.343 31.823 -0.035 0.000 0.658 626 V HN 0.175 nan 8.190 nan 0.000 0.452 627 L N -0.374 120.843 121.223 -0.010 0.000 2.131 627 L HA -0.129 4.212 4.340 0.002 0.000 0.210 627 L C 2.717 179.585 176.870 -0.004 0.000 1.092 627 L CA 1.164 55.999 54.840 -0.008 0.000 0.759 627 L CB -0.540 41.530 42.059 0.018 0.000 0.903 627 L HN 0.342 nan 8.230 nan 0.000 0.435 628 E N 0.190 120.410 120.200 0.034 0.000 2.150 628 E HA -0.146 4.205 4.350 0.002 0.000 0.193 628 E C 2.237 178.846 176.600 0.014 0.000 0.985 628 E CA 1.139 57.582 56.400 0.072 0.000 0.814 628 E CB -0.035 29.761 29.700 0.160 0.000 0.752 628 E HN 0.531 nan 8.360 nan 0.000 0.466 629 I N 0.131 120.637 120.570 -0.106 0.000 2.233 629 I HA -0.193 3.978 4.170 0.002 0.000 0.243 629 I C 2.366 178.320 176.117 -0.272 0.000 1.093 629 I CA 0.474 61.544 61.300 -0.382 0.000 1.380 629 I CB -0.149 37.440 38.000 -0.686 0.000 1.067 629 I HN -0.105 nan 8.210 nan 0.000 0.413 630 V N 0.796 120.604 119.914 -0.176 0.000 2.392 630 V HA -0.300 3.821 4.120 0.002 0.000 0.249 630 V C 2.620 178.658 176.094 -0.094 0.000 1.059 630 V CA 1.771 63.997 62.300 -0.122 0.000 1.051 630 V CB -0.787 30.985 31.823 -0.085 0.000 0.658 630 V HN 0.378 nan 8.190 nan 0.000 0.455 631 R N 0.168 120.618 120.500 -0.084 0.000 2.094 631 R HA -0.216 4.125 4.340 0.002 0.000 0.239 631 R C 2.314 178.566 176.300 -0.079 0.000 1.137 631 R CA 2.563 58.614 56.100 -0.081 0.000 0.943 631 R CB -0.345 29.895 30.300 -0.100 0.000 0.850 631 R HN 0.740 nan 8.270 nan 0.000 0.433 632 I N -2.181 118.342 120.570 -0.079 0.000 2.852 632 I HA 0.014 4.185 4.170 0.002 0.000 0.264 632 I C 1.355 177.438 176.117 -0.057 0.000 1.179 632 I CA 0.902 62.169 61.300 -0.056 0.000 1.480 632 I CB -0.052 37.939 38.000 -0.015 0.000 1.111 632 I HN -0.033 nan 8.210 nan 0.000 0.441 633 E N 1.958 122.105 120.200 -0.089 0.000 2.158 633 E HA -0.050 4.301 4.350 0.002 0.000 0.191 633 E C 0.202 176.781 176.600 -0.035 0.000 0.982 633 E CA 0.328 56.694 56.400 -0.056 0.000 0.823 633 E CB -0.106 29.551 29.700 -0.072 0.000 0.766 633 E HN 0.513 nan 8.360 nan 0.000 0.468 634 K N 1.140 121.514 120.400 -0.044 0.000 3.653 634 K HA -0.143 4.178 4.320 0.002 0.000 0.275 634 K C -2.462 174.127 176.600 -0.018 0.000 0.962 634 K CA 0.215 56.485 56.287 -0.029 0.000 0.773 634 K CB -1.219 31.270 32.500 -0.019 0.000 1.463 634 K HN 0.213 nan 8.250 nan 0.000 0.450 635 P HA 0.004 nan 4.420 nan 0.000 0.274 635 P C 0.424 177.721 177.300 -0.005 0.000 1.237 635 P CA -0.368 62.725 63.100 -0.012 0.000 0.793 635 P CB 1.106 32.788 31.700 -0.030 0.000 0.977 636 K N 0.550 120.959 120.400 0.015 0.000 2.025 636 K HA 0.027 4.348 4.320 0.002 0.000 0.207 636 K C 0.815 177.407 176.600 -0.013 0.000 1.049 636 K CA 1.466 57.766 56.287 0.021 0.000 0.933 636 K CB -0.428 32.117 32.500 0.074 0.000 0.714 636 K HN 0.710 nan 8.250 nan 0.000 0.438 637 G N -0.797 107.977 108.800 -0.043 0.000 2.692 637 G HA2 0.499 4.460 3.960 0.002 0.000 0.291 637 G HA3 0.499 4.460 3.960 0.002 0.000 0.291 637 G C -1.894 172.954 174.900 -0.088 0.000 1.423 637 G CA -0.730 44.329 45.100 -0.069 0.000 0.843 637 G HN -0.012 nan 8.290 nan 0.000 0.486 638 V N 0.760 120.620 119.914 -0.089 0.000 2.656 638 V HA 0.509 4.629 4.120 0.002 0.000 0.307 638 V C -0.369 175.656 176.094 -0.115 0.000 1.051 638 V CA -0.618 61.626 62.300 -0.094 0.000 0.893 638 V CB 1.769 33.548 31.823 -0.073 0.000 0.999 638 V HN 0.650 nan 8.190 nan 0.000 0.426 639 I N 4.628 125.113 120.570 -0.141 0.000 2.321 639 I HA 0.323 4.494 4.170 0.002 0.000 0.291 639 I C 0.711 176.753 176.117 -0.126 0.000 0.998 639 I CA -0.353 60.835 61.300 -0.186 0.000 1.227 639 I CB 1.785 39.593 38.000 -0.321 0.000 1.368 639 I HN 0.594 nan 8.210 nan 0.000 0.466 640 V N 1.795 121.653 119.914 -0.093 0.000 3.477 640 V HA 0.181 4.302 4.120 0.002 0.000 0.297 640 V C 1.072 177.163 176.094 -0.005 0.000 1.433 640 V CA 0.191 62.464 62.300 -0.045 0.000 1.052 640 V CB 0.104 31.903 31.823 -0.040 0.000 0.895 640 V HN 0.763 nan 8.190 nan 0.000 0.438 641 Q N -0.638 119.164 119.800 0.005 0.000 2.424 641 Q HA 0.265 4.606 4.340 0.002 0.000 0.204 641 Q C 1.306 177.531 176.000 0.373 0.000 0.933 641 Q CA 0.870 56.750 55.803 0.128 0.000 0.929 641 Q CB -0.048 28.757 28.738 0.111 0.000 1.037 641 Q HN 0.747 nan 8.270 nan 0.000 0.511 642 Y N -1.403 118.926 120.300 0.048 0.000 2.449 642 Y HA 0.373 4.924 4.550 0.002 0.000 0.254 642 Y C 1.814 177.795 175.900 0.136 0.000 1.140 642 Y CA -0.102 58.065 58.100 0.111 0.000 1.272 642 Y CB 0.193 38.704 38.460 0.085 0.000 1.114 642 Y HN 0.083 nan 8.280 nan 0.000 0.525 643 G N -0.634 108.277 108.800 0.184 0.000 3.189 643 G HA2 0.429 4.389 3.960 0.002 0.000 0.225 643 G HA3 0.429 4.389 3.960 0.002 0.000 0.225 643 G C 0.904 175.714 174.900 -0.150 0.000 1.159 643 G CA 0.435 45.582 45.100 0.078 0.000 0.763 643 G HN 0.557 nan 8.290 nan 0.000 0.549 644 G N -0.037 108.540 108.800 -0.372 0.000 2.545 644 G HA2 -0.252 3.709 3.960 0.002 0.000 0.216 644 G HA3 -0.252 3.709 3.960 0.002 0.000 0.216 644 G C 0.688 175.341 174.900 -0.412 0.000 1.314 644 G CA 0.201 44.773 45.100 -0.880 0.000 0.906 644 G HN 0.100 nan 8.290 nan 0.000 0.563 645 Q N -0.327 119.247 119.800 -0.377 0.000 2.124 645 Q HA -0.021 4.320 4.340 0.002 0.000 0.202 645 Q C 2.968 178.884 176.000 -0.139 0.000 0.977 645 Q CA 2.359 58.037 55.803 -0.208 0.000 0.850 645 Q CB -1.129 27.506 28.738 -0.172 0.000 0.901 645 Q HN 0.731 nan 8.270 nan 0.000 0.429 646 T N 1.857 116.328 114.554 -0.138 0.000 2.516 646 T HA -0.155 4.196 4.350 0.002 0.000 0.261 646 T C -1.102 173.557 174.700 -0.068 0.000 1.130 646 T CA 2.236 64.283 62.100 -0.087 0.000 1.193 646 T CB -1.264 67.558 68.868 -0.076 0.000 0.864 646 T HN 0.285 nan 8.240 nan 0.000 0.410 647 P HA 0.076 nan 4.420 nan 0.000 0.226 647 P C 1.563 178.835 177.300 -0.046 0.000 1.153 647 P CA 0.487 63.559 63.100 -0.045 0.000 0.777 647 P CB -0.193 31.487 31.700 -0.033 0.000 0.794 648 L N 0.248 121.435 121.223 -0.060 0.000 2.083 648 L HA -0.104 4.237 4.340 0.002 0.000 0.209 648 L C 2.133 178.976 176.870 -0.044 0.000 1.083 648 L CA 1.988 56.797 54.840 -0.052 0.000 0.752 648 L CB -0.863 41.154 42.059 -0.070 0.000 0.899 648 L HN -0.177 nan 8.230 nan 0.000 0.433 649 K N -1.080 119.291 120.400 -0.048 0.000 2.439 649 K HA -0.003 4.318 4.320 0.002 0.000 0.197 649 K C 1.665 178.247 176.600 -0.029 0.000 1.041 649 K CA 0.633 56.897 56.287 -0.039 0.000 0.970 649 K CB 0.011 32.486 32.500 -0.042 0.000 0.773 649 K HN 0.340 nan 8.250 nan 0.000 0.479 650 L N -0.481 120.726 121.223 -0.028 0.000 2.554 650 L HA 0.130 4.471 4.340 0.002 0.000 0.225 650 L C 2.205 179.063 176.870 -0.021 0.000 1.104 650 L CA -0.056 54.771 54.840 -0.022 0.000 0.866 650 L CB -0.218 41.828 42.059 -0.022 0.000 1.047 650 L HN 0.105 nan 8.230 nan 0.000 0.468 651 A N 1.273 124.079 122.820 -0.024 0.000 1.869 651 A HA -0.282 4.039 4.320 0.002 0.000 0.218 651 A C 2.368 179.941 177.584 -0.018 0.000 1.203 651 A CA 2.049 54.073 52.037 -0.022 0.000 0.638 651 A CB -0.438 18.548 19.000 -0.022 0.000 0.831 651 A HN 0.316 nan 8.150 nan 0.000 0.450 652 R N -0.581 119.910 120.500 -0.015 0.000 2.070 652 R HA -0.023 4.318 4.340 0.002 0.000 0.233 652 R C 2.527 178.820 176.300 -0.010 0.000 1.137 652 R CA 1.434 57.527 56.100 -0.011 0.000 0.945 652 R CB -0.636 29.658 30.300 -0.010 0.000 0.845 652 R HN 0.523 nan 8.270 nan 0.000 0.430 653 A N 1.022 123.836 122.820 -0.011 0.000 1.908 653 A HA -0.171 4.150 4.320 0.002 0.000 0.218 653 A C 2.188 179.767 177.584 -0.009 0.000 1.181 653 A CA 1.410 53.442 52.037 -0.008 0.000 0.627 653 A CB -0.664 18.331 19.000 -0.007 0.000 0.818 653 A HN 0.208 nan 8.150 nan 0.000 0.445 654 L N -0.801 120.414 121.223 -0.013 0.000 2.046 654 L HA -0.205 4.136 4.340 0.002 0.000 0.208 654 L C 2.707 179.567 176.870 -0.015 0.000 1.077 654 L CA 1.872 56.703 54.840 -0.016 0.000 0.747 654 L CB -0.431 41.615 42.059 -0.023 0.000 0.896 654 L HN 0.658 nan 8.230 nan 0.000 0.432 655 E N 0.517 120.709 120.200 -0.014 0.000 2.072 655 E HA -0.229 4.122 4.350 0.002 0.000 0.191 655 E C 2.217 178.812 176.600 -0.009 0.000 0.985 655 E CA 1.068 57.460 56.400 -0.012 0.000 0.801 655 E CB -0.006 29.687 29.700 -0.011 0.000 0.750 655 E HN 0.420 nan 8.360 nan 0.000 0.452 656 A N 1.566 124.382 122.820 -0.007 0.000 1.892 656 A HA -0.131 4.190 4.320 0.002 0.000 0.218 656 A C 2.362 179.943 177.584 -0.004 0.000 1.188 656 A CA 1.950 53.984 52.037 -0.004 0.000 0.631 656 A CB -0.842 18.155 19.000 -0.004 0.000 0.822 656 A HN 0.415 nan 8.150 nan 0.000 0.447 657 A N -1.777 121.041 122.820 -0.004 0.000 2.255 657 A HA 0.391 4.711 4.320 0.002 0.000 0.206 657 A C 1.790 179.370 177.584 -0.006 0.000 1.193 657 A CA 1.231 53.266 52.037 -0.003 0.000 0.794 657 A CB -1.224 17.775 19.000 -0.001 0.000 0.794 657 A HN 2.027 nan 8.150 nan 0.000 0.481 658 G N -1.585 107.211 108.800 -0.008 0.000 2.143 658 G HA2 -0.212 3.749 3.960 0.002 0.000 0.249 658 G HA3 -0.212 3.749 3.960 0.002 0.000 0.249 658 G C 0.194 175.085 174.900 -0.015 0.000 0.981 658 G CA 0.136 45.230 45.100 -0.010 0.000 0.665 658 G HN 0.788 nan 8.290 nan 0.000 0.528 659 V N 2.184 122.087 119.914 -0.019 0.000 2.572 659 V HA 0.349 4.470 4.120 0.002 0.000 0.291 659 V C -1.092 174.986 176.094 -0.026 0.000 1.039 659 V CA -0.621 61.663 62.300 -0.026 0.000 1.055 659 V CB 1.185 32.990 31.823 -0.031 0.000 0.969 659 V HN 0.247 nan 8.190 nan 0.000 0.482 660 P HA 0.188 nan 4.420 nan 0.000 0.247 660 P C -0.434 176.843 177.300 -0.039 0.000 1.756 660 P CA -0.133 62.950 63.100 -0.028 0.000 1.117 660 P CB 0.265 31.950 31.700 -0.025 0.000 1.869 661 V N 5.421 125.313 119.914 -0.037 0.000 2.521 661 V HA 0.083 4.204 4.120 0.002 0.000 0.286 661 V C 1.246 177.311 176.094 -0.048 0.000 1.034 661 V CA -0.187 62.086 62.300 -0.046 0.000 1.045 661 V CB 0.079 31.880 31.823 -0.037 0.000 0.974 661 V HN 0.370 nan 8.190 nan 0.000 0.480 662 I N 2.358 122.887 120.570 -0.069 0.000 2.924 662 I HA 0.997 5.168 4.170 0.002 0.000 0.316 662 I C 0.793 176.868 176.117 -0.069 0.000 1.014 662 I CA -0.097 61.160 61.300 -0.071 0.000 1.106 662 I CB 1.318 39.262 38.000 -0.094 0.000 1.311 662 I HN 0.848 nan 8.210 nan 0.000 0.502 663 G N 2.446 111.215 108.800 -0.052 0.000 2.593 663 G HA2 -0.203 3.758 3.960 0.002 0.000 0.237 663 G HA3 -0.203 3.758 3.960 0.002 0.000 0.237 663 G C -0.093 174.799 174.900 -0.013 0.000 1.312 663 G CA -0.207 44.872 45.100 -0.035 0.000 0.896 663 G HN 0.964 nan 8.290 nan 0.000 0.574 664 T N 1.358 115.913 114.554 0.001 0.000 2.822 664 T HA 0.392 4.743 4.350 0.002 0.000 0.288 664 T C 1.327 176.029 174.700 0.003 0.000 0.991 664 T CA 0.968 63.074 62.100 0.011 0.000 1.176 664 T CB 0.355 69.236 68.868 0.022 0.000 0.951 664 T HN 1.858 nan 8.240 nan 0.000 0.526 665 S N 4.781 120.485 115.700 0.007 0.000 2.563 665 S HA 0.067 4.538 4.470 0.002 0.000 0.284 665 S C -1.453 173.148 174.600 0.002 0.000 1.331 665 S CA -1.100 57.102 58.200 0.003 0.000 1.047 665 S CB 0.591 63.797 63.200 0.010 0.000 0.859 665 S HN 0.341 nan 8.310 nan 0.000 0.514 666 P HA -0.078 nan 4.420 nan 0.000 0.216 666 P C 1.004 178.303 177.300 -0.001 0.000 1.150 666 P CA 1.500 64.597 63.100 -0.006 0.000 0.837 666 P CB -0.100 31.595 31.700 -0.009 0.000 0.786 667 D N -0.542 119.860 120.400 0.003 0.000 2.117 667 D HA -0.144 4.496 4.640 0.002 0.000 0.197 667 D C 1.923 178.231 176.300 0.013 0.000 0.987 667 D CA 1.441 55.445 54.000 0.007 0.000 0.829 667 D CB -0.576 40.230 40.800 0.010 0.000 0.961 667 D HN -0.045 nan 8.370 nan 0.000 0.460 668 A N 0.249 123.080 122.820 0.017 0.000 1.902 668 A HA -0.131 4.190 4.320 0.002 0.000 0.217 668 A C 2.421 180.018 177.584 0.022 0.000 1.181 668 A CA 1.264 53.317 52.037 0.026 0.000 0.623 668 A CB -0.859 18.158 19.000 0.028 0.000 0.818 668 A HN 0.394 nan 8.150 nan 0.000 0.443 669 I N -0.365 120.211 120.570 0.011 0.000 2.208 669 I HA -0.276 3.895 4.170 0.002 0.000 0.245 669 I C 2.297 178.412 176.117 -0.003 0.000 1.097 669 I CA 2.051 63.352 61.300 0.001 0.000 1.363 669 I CB -0.464 37.532 38.000 -0.006 0.000 1.051 669 I HN 0.403 nan 8.210 nan 0.000 0.413 670 D N 0.661 121.061 120.400 0.000 0.000 2.144 670 D HA -0.176 4.465 4.640 0.002 0.000 0.200 670 D C 2.388 178.695 176.300 0.011 0.000 0.978 670 D CA 1.077 55.076 54.000 -0.002 0.000 0.833 670 D CB 0.033 40.831 40.800 -0.003 0.000 0.961 670 D HN 0.011 nan 8.370 nan 0.000 0.470 671 R N -0.214 120.301 120.500 0.027 0.000 2.081 671 R HA -0.082 4.259 4.340 0.002 0.000 0.235 671 R C 2.068 178.431 176.300 0.104 0.000 1.131 671 R CA 1.282 57.414 56.100 0.054 0.000 0.960 671 R CB -0.328 30.009 30.300 0.061 0.000 0.856 671 R HN 0.260 nan 8.270 nan 0.000 0.436 672 A N 0.853 123.715 122.820 0.070 0.000 1.898 672 A HA -0.076 4.245 4.320 0.002 0.000 0.214 672 A C 1.816 179.354 177.584 -0.077 0.000 1.183 672 A CA 0.845 52.901 52.037 0.032 0.000 0.622 672 A CB -0.110 18.876 19.000 -0.023 0.000 0.824 672 A HN 0.210 nan 8.150 nan 0.000 0.444 673 E N 0.543 120.712 120.200 -0.053 0.000 2.208 673 E HA -0.094 4.257 4.350 0.002 0.000 0.193 673 E C -0.134 176.441 176.600 -0.042 0.000 0.988 673 E CA 0.383 56.741 56.400 -0.070 0.000 0.828 673 E CB -0.181 29.487 29.700 -0.054 0.000 0.763 673 E HN 0.517 nan 8.360 nan 0.000 0.478 674 D N 0.679 121.078 120.400 -0.003 0.000 2.339 674 D HA 0.050 4.691 4.640 0.002 0.000 0.241 674 D C 0.736 177.073 176.300 0.062 0.000 1.183 674 D CA -0.237 53.770 54.000 0.011 0.000 0.859 674 D CB 0.746 41.545 40.800 -0.002 0.000 1.067 674 D HN -0.199 nan 8.370 nan 0.000 0.484 675 R N 2.980 123.516 120.500 0.060 0.000 2.134 675 R HA -0.199 4.142 4.340 0.002 0.000 0.248 675 R C 1.895 178.275 176.300 0.133 0.000 1.143 675 R CA 1.323 57.498 56.100 0.125 0.000 0.957 675 R CB -0.451 29.895 30.300 0.076 0.000 0.867 675 R HN 0.546 nan 8.270 nan 0.000 0.441 676 E N 0.519 120.743 120.200 0.041 0.000 2.028 676 E HA -0.120 4.231 4.350 0.002 0.000 0.191 676 E C 2.116 178.609 176.600 -0.179 0.000 0.988 676 E CA 0.811 57.190 56.400 -0.036 0.000 0.799 676 E CB 0.066 29.728 29.700 -0.063 0.000 0.755 676 E HN 0.226 nan 8.360 nan 0.000 0.447 677 R N -0.175 120.239 120.500 -0.144 0.000 2.105 677 R HA -0.163 4.178 4.340 0.002 0.000 0.239 677 R C 2.326 178.622 176.300 -0.007 0.000 1.135 677 R CA 1.145 57.153 56.100 -0.154 0.000 0.967 677 R CB -0.625 29.647 30.300 -0.047 0.000 0.861 677 R HN 0.246 nan 8.270 nan 0.000 0.442 678 F N 2.267 122.182 119.950 -0.058 0.000 2.113 678 F HA -0.185 4.343 4.527 0.001 0.000 0.297 678 F C 2.322 178.142 175.800 0.032 0.000 1.103 678 F CA 1.519 59.512 58.000 -0.011 0.000 1.248 678 F CB -0.303 38.689 39.000 -0.014 0.000 0.999 678 F HN -0.031 nan 8.300 nan 0.000 0.475 679 Q N -0.877 118.916 119.800 -0.012 0.000 2.152 679 Q HA -0.264 4.077 4.340 0.002 0.000 0.206 679 Q C 1.965 177.984 176.000 0.030 0.000 0.985 679 Q CA 1.949 57.723 55.803 -0.048 0.000 0.863 679 Q CB -0.496 28.312 28.738 0.116 0.000 0.904 679 Q HN 0.526 nan 8.270 nan 0.000 0.422 680 H N -0.159 118.847 119.070 -0.108 0.000 2.395 680 H HA 0.050 4.607 4.556 0.001 0.000 0.299 680 H C 1.952 177.212 175.328 -0.114 0.000 1.070 680 H CA 1.130 57.127 56.048 -0.086 0.000 1.356 680 H CB -0.434 29.304 29.762 -0.040 0.000 1.401 680 H HN 0.332 nan 8.280 nan 0.000 0.524 681 A N 0.500 123.316 122.820 -0.006 0.000 1.898 681 A HA -0.109 4.212 4.320 0.002 0.000 0.216 681 A C 2.646 180.142 177.584 -0.146 0.000 1.181 681 A CA 1.556 53.556 52.037 -0.061 0.000 0.620 681 A CB -0.822 18.147 19.000 -0.052 0.000 0.819 681 A HN 0.227 nan 8.150 nan 0.000 0.442 682 V N 0.083 119.807 119.914 -0.317 0.000 2.255 682 V HA -0.304 3.817 4.120 0.002 0.000 0.247 682 V C 2.429 178.435 176.094 -0.147 0.000 1.051 682 V CA 2.358 64.478 62.300 -0.300 0.000 1.018 682 V CB -0.934 30.594 31.823 -0.492 0.000 0.641 682 V HN 0.628 nan 8.190 nan 0.000 0.445 683 E N -0.172 119.954 120.200 -0.124 0.000 2.070 683 E HA -0.311 4.040 4.350 0.002 0.000 0.197 683 E C 2.407 178.967 176.600 -0.066 0.000 1.004 683 E CA 1.747 58.096 56.400 -0.086 0.000 0.805 683 E CB -0.212 29.429 29.700 -0.099 0.000 0.744 683 E HN 0.453 nan 8.360 nan 0.000 0.451 684 R N 0.845 121.312 120.500 -0.055 0.000 2.091 684 R HA -0.139 4.202 4.340 0.002 0.000 0.238 684 R C 2.190 178.474 176.300 -0.026 0.000 1.136 684 R CA 1.225 57.306 56.100 -0.033 0.000 0.959 684 R CB -0.244 30.050 30.300 -0.010 0.000 0.856 684 R HN 0.157 nan 8.270 nan 0.000 0.437 685 L N 0.276 121.481 121.223 -0.031 0.000 2.465 685 L HA 0.021 4.362 4.340 0.002 0.000 0.224 685 L C 0.618 177.476 176.870 -0.019 0.000 1.145 685 L CA 0.828 55.659 54.840 -0.016 0.000 0.834 685 L CB -0.088 41.963 42.059 -0.014 0.000 0.944 685 L HN 0.295 nan 8.230 nan 0.000 0.451 686 K N -0.426 119.953 120.400 -0.034 0.000 3.230 686 K HA -0.168 4.152 4.320 0.002 0.000 0.285 686 K C -0.084 176.496 176.600 -0.033 0.000 1.196 686 K CA 0.247 56.514 56.287 -0.034 0.000 0.838 686 K CB -1.664 30.821 32.500 -0.025 0.000 1.262 686 K HN 0.235 nan 8.250 nan 0.000 0.492 687 L N 0.199 121.400 121.223 -0.036 0.000 2.490 687 L HA 0.329 4.670 4.340 0.002 0.000 0.245 687 L C 0.681 177.530 176.870 -0.034 0.000 1.185 687 L CA -0.589 54.236 54.840 -0.025 0.000 0.813 687 L CB 0.423 42.483 42.059 0.002 0.000 1.233 687 L HN -0.004 nan 8.230 nan 0.000 0.489 688 K N 1.131 121.516 120.400 -0.025 0.000 2.274 688 K HA 0.353 4.674 4.320 0.002 0.000 0.262 688 K C -1.221 175.421 176.600 0.070 0.000 0.961 688 K CA -0.457 55.810 56.287 -0.033 0.000 0.833 688 K CB 1.713 34.097 32.500 -0.193 0.000 1.102 688 K HN 0.514 nan 8.250 nan 0.000 0.436 689 Q N 4.352 124.229 119.800 0.128 0.000 2.423 689 Q HA 0.485 4.826 4.340 0.002 0.000 0.278 689 Q C -2.552 173.603 176.000 0.258 0.000 1.097 689 Q CA -2.094 53.825 55.803 0.194 0.000 0.809 689 Q CB 2.123 30.913 28.738 0.086 0.000 1.391 689 Q HN 0.322 nan 8.270 nan 0.000 0.428 690 P HA 0.127 nan 4.420 nan 0.000 0.272 690 P C -1.216 176.164 177.300 0.132 0.000 1.223 690 P CA -0.126 63.076 63.100 0.170 0.000 0.784 690 P CB 0.481 32.217 31.700 0.061 0.000 0.923 691 A N 2.704 125.593 122.820 0.115 0.000 2.540 691 A HA 0.289 4.610 4.320 0.002 0.000 0.239 691 A C 0.424 178.049 177.584 0.067 0.000 1.061 691 A CA 0.277 52.353 52.037 0.066 0.000 0.758 691 A CB -0.916 18.090 19.000 0.012 0.000 0.991 691 A HN 0.760 nan 8.150 nan 0.000 0.502 692 N N -0.194 118.535 118.700 0.048 0.000 3.102 692 N HA 0.854 5.595 4.740 0.002 0.000 0.299 692 N C -0.914 174.614 175.510 0.031 0.000 1.482 692 N CA -0.171 52.906 53.050 0.045 0.000 0.785 692 N CB 1.724 40.248 38.487 0.060 0.000 1.680 692 N HN 1.210 nan 8.380 nan 0.000 0.594 693 A N -0.833 122.007 122.820 0.033 0.000 2.580 693 A HA 0.550 4.871 4.320 0.002 0.000 0.301 693 A C -1.604 176.005 177.584 0.041 0.000 1.054 693 A CA -0.800 51.255 52.037 0.031 0.000 0.751 693 A CB 0.576 19.586 19.000 0.016 0.000 1.275 693 A HN 0.580 nan 8.150 nan 0.000 0.403 694 T N 2.050 116.630 114.554 0.044 0.000 2.762 694 T HA 0.505 4.855 4.350 0.002 0.000 0.303 694 T C -0.243 174.488 174.700 0.051 0.000 0.977 694 T CA -0.225 61.906 62.100 0.052 0.000 0.961 694 T CB 0.704 69.602 68.868 0.049 0.000 0.944 694 T HN 0.623 nan 8.240 nan 0.000 0.481 695 V N 3.955 123.912 119.914 0.072 0.000 2.483 695 V HA 0.306 4.427 4.120 0.002 0.000 0.295 695 V C 1.104 177.233 176.094 0.058 0.000 1.035 695 V CA -0.310 62.024 62.300 0.057 0.000 0.896 695 V CB 1.905 33.766 31.823 0.063 0.000 0.986 695 V HN 0.999 nan 8.190 nan 0.000 0.447 696 T N 2.468 117.027 114.554 0.008 0.000 2.980 696 T HA 0.291 4.641 4.350 0.002 0.000 0.239 696 T C 0.685 175.343 174.700 -0.069 0.000 1.011 696 T CA 0.701 62.799 62.100 -0.002 0.000 1.171 696 T CB 0.143 69.007 68.868 -0.006 0.000 0.873 696 T HN 0.740 nan 8.240 nan 0.000 0.431 697 A N 0.454 123.211 122.820 -0.106 0.000 2.293 697 A HA 0.623 4.944 4.320 0.002 0.000 0.302 697 A C 1.053 178.453 177.584 -0.306 0.000 1.119 697 A CA -0.609 51.324 52.037 -0.173 0.000 0.823 697 A CB 0.174 19.109 19.000 -0.107 0.000 1.097 697 A HN 0.190 nan 8.150 nan 0.000 0.491 698 I N 0.957 121.272 120.570 -0.425 0.000 2.069 698 I HA -0.243 3.928 4.170 0.002 0.000 0.237 698 I C 2.190 178.154 176.117 -0.255 0.000 1.053 698 I CA 1.835 62.811 61.300 -0.540 0.000 1.311 698 I CB -0.545 37.235 38.000 -0.367 0.000 1.030 698 I HN 0.716 nan 8.210 nan 0.000 0.398 699 E N -0.111 120.003 120.200 -0.143 0.000 2.333 699 E HA -0.232 4.119 4.350 0.002 0.000 0.198 699 E C 2.095 178.665 176.600 -0.050 0.000 1.007 699 E CA 0.944 57.304 56.400 -0.066 0.000 0.845 699 E CB -0.487 29.186 29.700 -0.045 0.000 0.766 699 E HN 0.584 nan 8.360 nan 0.000 0.507 700 M N -0.144 119.410 119.600 -0.077 0.000 2.447 700 M HA 0.030 4.511 4.480 0.002 0.000 0.264 700 M C 1.923 178.204 176.300 -0.031 0.000 1.095 700 M CA 0.787 56.057 55.300 -0.050 0.000 1.125 700 M CB 0.154 32.718 32.600 -0.060 0.000 1.389 700 M HN 0.069 nan 8.290 nan 0.000 0.459 701 A N -0.219 122.573 122.820 -0.046 0.000 1.862 701 A HA -0.004 4.317 4.320 0.002 0.000 0.211 701 A C 1.859 179.474 177.584 0.051 0.000 1.220 701 A CA 1.083 53.133 52.037 0.023 0.000 0.616 701 A CB -0.945 18.092 19.000 0.063 0.000 0.878 701 A HN 0.322 nan 8.150 nan 0.000 0.453 702 V N 0.672 120.624 119.914 0.064 0.000 2.428 702 V HA -0.312 3.809 4.120 0.002 0.000 0.255 702 V C 2.466 178.609 176.094 0.081 0.000 1.080 702 V CA 2.674 65.039 62.300 0.109 0.000 1.083 702 V CB -0.955 30.923 31.823 0.092 0.000 0.665 702 V HN 0.714 nan 8.190 nan 0.000 0.461 703 E N 0.714 120.937 120.200 0.038 0.000 2.030 703 E HA -0.117 4.234 4.350 0.002 0.000 0.189 703 E C 2.108 178.713 176.600 0.008 0.000 0.974 703 E CA 0.923 57.339 56.400 0.026 0.000 0.807 703 E CB -0.340 29.367 29.700 0.012 0.000 0.771 703 E HN 0.266 nan 8.360 nan 0.000 0.451 704 K N 0.537 120.936 120.400 -0.001 0.000 2.160 704 K HA -0.069 4.252 4.320 0.002 0.000 0.206 704 K C 1.801 178.372 176.600 -0.049 0.000 1.047 704 K CA 1.345 57.623 56.287 -0.015 0.000 0.930 704 K CB -0.839 31.659 32.500 -0.004 0.000 0.720 704 K HN 0.255 nan 8.250 nan 0.000 0.450 705 A N 0.244 123.026 122.820 -0.063 0.000 1.902 705 A HA -0.188 4.133 4.320 0.002 0.000 0.217 705 A C 2.040 179.497 177.584 -0.211 0.000 1.181 705 A CA 1.902 53.815 52.037 -0.208 0.000 0.623 705 A CB -0.410 18.458 19.000 -0.221 0.000 0.818 705 A HN 0.260 nan 8.150 nan 0.000 0.443 706 K N -0.180 120.192 120.400 -0.045 0.000 2.152 706 K HA -0.142 4.179 4.320 0.002 0.000 0.206 706 K C 2.016 178.600 176.600 -0.027 0.000 1.048 706 K CA 1.600 57.898 56.287 0.017 0.000 0.933 706 K CB -0.111 32.420 32.500 0.053 0.000 0.721 706 K HN 0.665 nan 8.250 nan 0.000 0.447 707 E N 0.090 120.264 120.200 -0.043 0.000 2.015 707 E HA -0.175 4.176 4.350 0.002 0.000 0.191 707 E C 1.980 178.533 176.600 -0.077 0.000 0.991 707 E CA 1.356 57.729 56.400 -0.045 0.000 0.802 707 E CB -0.072 29.608 29.700 -0.034 0.000 0.759 707 E HN 0.204 nan 8.360 nan 0.000 0.447 708 I N 0.111 120.621 120.570 -0.100 0.000 2.226 708 I HA -0.137 4.034 4.170 0.002 0.000 0.245 708 I C 1.046 177.039 176.117 -0.207 0.000 1.100 708 I CA 1.073 62.301 61.300 -0.121 0.000 1.374 708 I CB -0.209 37.741 38.000 -0.083 0.000 1.057 708 I HN 0.257 nan 8.210 nan 0.000 0.413 709 G N -0.763 107.922 108.800 -0.191 0.000 2.907 709 G HA2 -0.187 3.774 3.960 0.002 0.000 0.686 709 G HA3 -0.187 3.774 3.960 0.002 0.000 0.686 709 G C -0.791 174.116 174.900 0.010 0.000 1.115 709 G CA -0.979 44.045 45.100 -0.127 0.000 0.760 709 G HN 0.042 nan 8.290 nan 0.000 0.620 710 Y N 2.193 122.573 120.300 0.135 0.000 2.334 710 Y HA 0.599 5.150 4.550 0.002 0.000 0.325 710 Y C -0.877 175.171 175.900 0.247 0.000 1.308 710 Y CA -1.294 56.910 58.100 0.173 0.000 1.389 710 Y CB 0.584 39.108 38.460 0.106 0.000 1.328 710 Y HN 0.542 nan 8.280 nan 0.000 0.532 711 P HA 0.277 nan 4.420 nan 0.000 0.277 711 P C -1.398 175.952 177.300 0.083 0.000 1.271 711 P CA -0.290 62.927 63.100 0.194 0.000 0.795 711 P CB 0.926 32.496 31.700 -0.216 0.000 1.101 712 L N -0.098 121.126 121.223 0.002 0.000 2.362 712 L HA 0.316 4.657 4.340 0.002 0.000 0.271 712 L C -0.266 176.495 176.870 -0.183 0.000 1.002 712 L CA -0.655 54.135 54.840 -0.085 0.000 0.818 712 L CB 2.085 44.073 42.059 -0.119 0.000 1.298 712 L HN 0.026 nan 8.230 nan 0.000 0.420 713 V N 3.944 123.767 119.914 -0.152 0.000 2.258 713 V HA 0.195 4.316 4.120 0.002 0.000 0.258 713 V C -0.092 175.876 176.094 -0.211 0.000 1.121 713 V CA -0.660 61.518 62.300 -0.202 0.000 0.942 713 V CB 0.775 32.533 31.823 -0.108 0.000 1.170 713 V HN 0.448 nan 8.190 nan 0.000 0.487 714 V N 5.312 125.025 119.914 -0.334 0.000 2.446 714 V HA 0.292 4.413 4.120 0.002 0.000 0.276 714 V C 0.595 176.488 176.094 -0.334 0.000 1.030 714 V CA -0.108 61.940 62.300 -0.420 0.000 1.033 714 V CB 0.277 31.590 31.823 -0.849 0.000 0.993 714 V HN 0.741 nan 8.190 nan 0.000 0.477 715 R N 3.623 124.017 120.500 -0.177 0.000 2.412 715 R HA 0.615 4.956 4.340 0.002 0.000 0.304 715 R C 0.271 176.553 176.300 -0.030 0.000 1.066 715 R CA -0.299 55.748 56.100 -0.088 0.000 0.923 715 R CB 1.398 31.665 30.300 -0.056 0.000 1.156 715 R HN 0.890 nan 8.270 nan 0.000 0.513 725 M N 0.824 120.396 119.600 -0.047 0.000 2.114 725 M HA 0.634 5.115 4.480 0.002 0.000 0.280 725 M C 0.454 176.675 176.300 -0.131 0.000 1.209 725 M CA 0.144 55.390 55.300 -0.090 0.000 1.044 725 M CB 0.937 33.489 32.600 -0.080 0.000 1.404 725 M HN 0.795 nan 8.290 nan 0.000 0.499 726 E N 0.178 120.236 120.200 -0.238 0.000 2.380 726 E HA 0.429 4.780 4.350 0.002 0.000 0.281 726 E C -1.980 174.406 176.600 -0.357 0.000 0.999 726 E CA -0.498 55.724 56.400 -0.296 0.000 0.800 726 E CB 1.710 31.297 29.700 -0.187 0.000 1.228 726 E HN 0.613 nan 8.360 nan 0.000 0.436 727 I N 3.896 124.267 120.570 -0.331 0.000 2.428 727 I HA 0.276 4.447 4.170 0.002 0.000 0.279 727 I C -0.632 175.273 176.117 -0.354 0.000 1.040 727 I CA -0.920 60.102 61.300 -0.464 0.000 1.171 727 I CB 1.498 39.070 38.000 -0.715 0.000 1.312 727 I HN 0.258 nan 8.210 nan 0.000 0.470 728 V N 6.518 126.271 119.914 -0.268 0.000 2.498 728 V HA 0.084 4.205 4.120 0.002 0.000 0.279 728 V C 0.410 176.480 176.094 -0.040 0.000 1.048 728 V CA 0.111 62.371 62.300 -0.066 0.000 0.967 728 V CB 1.111 32.952 31.823 0.030 0.000 0.988 728 V HN 0.569 nan 8.190 nan 0.000 0.473 729 Y N 1.751 122.080 120.300 0.049 0.000 2.347 729 Y HA 0.077 4.628 4.550 0.002 0.000 0.294 729 Y C 1.148 176.905 175.900 -0.238 0.000 1.117 729 Y CA 0.510 58.620 58.100 0.017 0.000 1.184 729 Y CB 0.352 38.811 38.460 -0.002 0.000 1.047 729 Y HN 0.800 nan 8.280 nan 0.000 0.546 730 D N -1.655 118.566 120.400 -0.298 0.000 2.592 730 D HA 0.071 4.711 4.640 0.002 0.000 0.263 730 D C 0.638 176.549 176.300 -0.648 0.000 1.132 730 D CA -0.541 53.029 54.000 -0.717 0.000 0.996 730 D CB 0.922 41.541 40.800 -0.302 0.000 1.442 730 D HN 0.061 nan 8.370 nan 0.000 0.486 731 E N 0.014 119.914 120.200 -0.500 0.000 2.049 731 E HA -0.253 4.098 4.350 0.002 0.000 0.198 731 E C 1.926 178.546 176.600 0.034 0.000 1.007 731 E CA 1.739 58.111 56.400 -0.047 0.000 0.809 731 E CB -0.280 29.438 29.700 0.029 0.000 0.749 731 E HN 0.542 nan 8.360 nan 0.000 0.450 732 A N 0.883 123.697 122.820 -0.010 0.000 1.940 732 A HA -0.261 4.060 4.320 0.002 0.000 0.219 732 A C 1.806 179.425 177.584 0.058 0.000 1.176 732 A CA 2.137 54.191 52.037 0.028 0.000 0.631 732 A CB -0.736 18.269 19.000 0.007 0.000 0.814 732 A HN 0.344 nan 8.150 nan 0.000 0.446 733 D N -0.896 119.525 120.400 0.034 0.000 2.104 733 D HA -0.154 4.487 4.640 0.002 0.000 0.194 733 D C 1.820 178.214 176.300 0.156 0.000 0.994 733 D CA 1.235 55.283 54.000 0.080 0.000 0.830 733 D CB -0.125 40.715 40.800 0.067 0.000 0.959 733 D HN 0.253 nan 8.370 nan 0.000 0.452 734 L N 1.412 122.757 121.223 0.204 0.000 1.978 734 L HA -0.226 4.115 4.340 0.002 0.000 0.218 734 L C 2.014 179.115 176.870 0.386 0.000 1.075 734 L CA 1.818 56.853 54.840 0.325 0.000 0.767 734 L CB -0.836 41.466 42.059 0.405 0.000 0.890 734 L HN 0.062 nan 8.230 nan 0.000 0.434 735 R N -0.922 119.750 120.500 0.287 0.000 2.103 735 R HA -0.229 4.112 4.340 0.002 0.000 0.234 735 R C 2.284 178.717 176.300 0.222 0.000 1.132 735 R CA 1.573 57.825 56.100 0.253 0.000 0.925 735 R CB -0.946 29.441 30.300 0.145 0.000 0.842 735 R HN 0.345 nan 8.270 nan 0.000 0.430 736 R N 0.477 121.068 120.500 0.152 0.000 2.165 736 R HA -0.279 4.062 4.340 0.002 0.000 0.254 736 R C 2.217 178.577 176.300 0.099 0.000 1.153 736 R CA 2.274 58.436 56.100 0.103 0.000 0.971 736 R CB -0.548 29.807 30.300 0.091 0.000 0.878 736 R HN 0.388 nan 8.270 nan 0.000 0.449 737 Y N 0.003 120.325 120.300 0.036 0.000 2.092 737 Y HA -0.222 4.329 4.550 0.001 0.000 0.282 737 Y C 2.028 177.878 175.900 -0.084 0.000 1.126 737 Y CA 1.954 60.016 58.100 -0.062 0.000 1.111 737 Y CB -0.952 37.409 38.460 -0.165 0.000 0.987 737 Y HN -0.038 nan 8.280 nan 0.000 0.489 738 F N 1.290 121.187 119.950 -0.089 0.000 2.115 738 F HA -0.351 4.177 4.527 0.001 0.000 0.300 738 F C 2.777 178.445 175.800 -0.220 0.000 1.092 738 F CA 2.261 60.156 58.000 -0.176 0.000 1.245 738 F CB -1.068 37.954 39.000 0.036 0.000 0.995 738 F HN 0.267 nan 8.300 nan 0.000 0.481 739 Q N 0.141 119.971 119.800 0.051 0.000 2.014 739 Q HA -0.266 4.075 4.340 0.002 0.000 0.207 739 Q C 2.270 178.224 176.000 -0.075 0.000 0.993 739 Q CA 3.285 59.091 55.803 0.005 0.000 0.850 739 Q CB -0.423 28.324 28.738 0.015 0.000 0.916 739 Q HN 0.503 nan 8.270 nan 0.000 0.417 740 T N -1.370 113.096 114.554 -0.148 0.000 2.812 740 T HA 0.195 4.546 4.350 0.002 0.000 0.264 740 T C 1.096 175.620 174.700 -0.294 0.000 1.042 740 T CA 0.417 62.410 62.100 -0.179 0.000 1.140 740 T CB -0.862 67.918 68.868 -0.148 0.000 0.870 740 T HN 0.547 nan 8.240 nan 0.000 0.445 751 L N 4.619 125.887 121.223 0.076 0.000 2.421 751 L HA 0.698 5.039 4.340 0.002 0.000 0.263 751 L C -0.619 176.270 176.870 0.032 0.000 1.122 751 L CA -0.234 54.636 54.840 0.050 0.000 0.804 751 L CB 1.132 43.209 42.059 0.030 0.000 1.150 751 L HN 0.470 nan 8.230 nan 0.000 0.457 752 L N 1.533 122.772 121.223 0.026 0.000 2.438 752 L HA 0.484 4.825 4.340 0.002 0.000 0.270 752 L C -1.314 175.558 176.870 0.004 0.000 0.972 752 L CA -0.178 54.663 54.840 0.002 0.000 0.831 752 L CB 1.891 43.959 42.059 0.014 0.000 1.273 752 L HN 0.522 nan 8.230 nan 0.000 0.405 753 D N -0.087 120.308 120.400 -0.009 0.000 2.879 753 D HA 0.313 4.953 4.640 0.002 0.000 0.236 753 D C -1.103 175.217 176.300 0.033 0.000 1.171 753 D CA -0.535 53.479 54.000 0.023 0.000 0.868 753 D CB 1.469 42.284 40.800 0.025 0.000 1.598 753 D HN 0.477 nan 8.370 nan 0.000 0.497 754 H N 2.007 121.054 119.070 -0.039 0.000 2.848 754 H HA 0.183 4.740 4.556 0.001 0.000 0.317 754 H C -0.911 174.410 175.328 -0.012 0.000 1.046 754 H CA -0.265 55.752 56.048 -0.051 0.000 1.470 754 H CB 0.207 29.925 29.762 -0.074 0.000 1.483 754 H HN 0.211 nan 8.280 nan 0.000 0.548 755 F N 6.357 125.866 119.950 -0.735 0.000 2.506 755 F HA 0.181 4.709 4.527 0.001 0.000 0.371 755 F C -0.695 174.687 175.800 -0.697 0.000 1.078 755 F CA -0.851 56.805 58.000 -0.574 0.000 1.195 755 F CB 0.092 38.840 39.000 -0.421 0.000 1.099 755 F HN 0.565 nan 8.300 nan 0.000 0.548 756 L N 6.581 127.161 121.223 -1.072 0.000 2.404 756 L HA 0.127 4.468 4.340 0.002 0.000 0.277 756 L C 0.225 176.371 176.870 -1.206 0.000 1.184 756 L CA -0.366 53.906 54.840 -0.947 0.000 1.013 756 L CB -0.557 41.116 42.059 -0.643 0.000 1.318 756 L HN 0.523 nan 8.230 nan 0.000 0.435 757 D N 3.208 122.974 120.400 -1.057 0.000 2.423 757 D HA -0.068 4.573 4.640 0.002 0.000 0.238 757 D C 0.353 176.464 176.300 -0.315 0.000 1.142 757 D CA 0.247 53.857 54.000 -0.651 0.000 0.884 757 D CB 0.660 41.338 40.800 -0.203 0.000 1.199 757 D HN 0.441 nan 8.370 nan 0.000 0.438 758 D N 0.505 120.821 120.400 -0.141 0.000 2.740 758 D HA -0.179 4.462 4.640 0.002 0.000 0.231 758 D C -0.699 175.553 176.300 -0.080 0.000 1.194 758 D CA 0.855 54.821 54.000 -0.057 0.000 0.673 758 D CB -1.061 39.732 40.800 -0.012 0.000 0.995 758 D HN 0.391 nan 8.370 nan 0.000 0.411 759 A N -0.392 122.369 122.820 -0.097 0.000 2.423 759 A HA 0.708 5.029 4.320 0.002 0.000 0.304 759 A C -0.052 177.516 177.584 -0.025 0.000 1.104 759 A CA -0.658 51.335 52.037 -0.074 0.000 0.757 759 A CB 1.991 20.917 19.000 -0.123 0.000 1.313 759 A HN 0.064 nan 8.150 nan 0.000 0.423 760 V N 1.255 121.158 119.914 -0.019 0.000 2.509 760 V HA 0.325 4.446 4.120 0.002 0.000 0.284 760 V C 0.358 176.438 176.094 -0.024 0.000 1.047 760 V CA -0.287 62.006 62.300 -0.012 0.000 0.952 760 V CB 1.322 33.118 31.823 -0.045 0.000 0.988 760 V HN 0.957 nan 8.190 nan 0.000 0.469 761 E N 3.016 123.183 120.200 -0.056 0.000 2.204 761 E HA 0.691 5.042 4.350 0.002 0.000 0.276 761 E C -1.577 174.729 176.600 -0.489 0.000 0.974 761 E CA -0.412 55.868 56.400 -0.201 0.000 0.815 761 E CB 1.949 31.574 29.700 -0.126 0.000 1.119 761 E HN 0.466 nan 8.360 nan 0.000 0.393 762 V N 2.993 122.700 119.914 -0.344 0.000 3.007 762 V HA 0.343 4.464 4.120 0.002 0.000 0.311 762 V C -1.205 174.868 176.094 -0.034 0.000 1.120 762 V CA -0.861 61.312 62.300 -0.210 0.000 0.980 762 V CB 2.468 34.293 31.823 0.002 0.000 1.033 762 V HN 0.781 nan 8.190 nan 0.000 0.429 763 D N 0.773 121.219 120.400 0.077 0.000 2.481 763 D HA 0.733 5.374 4.640 0.002 0.000 0.244 763 D C -1.311 175.098 176.300 0.183 0.000 1.057 763 D CA -0.165 53.932 54.000 0.161 0.000 0.848 763 D CB 2.374 43.301 40.800 0.211 0.000 1.388 763 D HN 0.321 nan 8.370 nan 0.000 0.475 764 V N 2.535 122.560 119.914 0.185 0.000 2.577 764 V HA 0.359 4.480 4.120 0.002 0.000 0.303 764 V C -0.852 175.312 176.094 0.116 0.000 1.042 764 V CA -0.888 61.513 62.300 0.169 0.000 0.872 764 V CB 1.925 33.892 31.823 0.240 0.000 0.998 764 V HN 0.507 nan 8.190 nan 0.000 0.423 765 D N 3.332 123.788 120.400 0.093 0.000 2.177 765 D HA 0.836 5.477 4.640 0.002 0.000 0.247 765 D C -0.024 176.305 176.300 0.049 0.000 1.063 765 D CA 0.216 54.256 54.000 0.066 0.000 0.867 765 D CB 2.294 43.131 40.800 0.062 0.000 1.168 765 D HN 0.837 nan 8.370 nan 0.000 0.445 766 A N 1.937 124.778 122.820 0.036 0.000 2.588 766 A HA 0.764 5.085 4.320 0.002 0.000 0.290 766 A C -1.378 176.213 177.584 0.013 0.000 1.136 766 A CA -0.633 51.415 52.037 0.018 0.000 0.681 766 A CB 1.186 20.189 19.000 0.005 0.000 1.282 766 A HN 0.476 nan 8.150 nan 0.000 0.421 767 I N 0.108 120.677 120.570 -0.001 0.000 2.498 767 I HA 0.475 4.646 4.170 0.002 0.000 0.290 767 I C -0.851 175.246 176.117 -0.032 0.000 1.032 767 I CA -0.498 60.804 61.300 0.004 0.000 1.073 767 I CB 1.816 39.833 38.000 0.028 0.000 1.251 767 I HN 0.649 nan 8.210 nan 0.000 0.426 768 C N 5.364 124.641 119.300 -0.039 0.000 2.408 768 C HA 0.492 4.953 4.460 0.002 0.000 0.321 768 C C 0.293 175.284 174.990 0.001 0.000 1.245 768 C CA -0.407 58.564 59.018 -0.080 0.000 1.523 768 C CB 0.845 28.483 27.740 -0.169 0.000 2.178 768 C HN 0.917 nan 8.230 nan 0.000 0.488 769 D N 1.932 122.359 120.400 0.045 0.000 2.462 769 D HA 0.286 4.927 4.640 0.002 0.000 0.221 769 D C 1.308 177.677 176.300 0.115 0.000 1.173 769 D CA 0.528 54.571 54.000 0.071 0.000 0.831 769 D CB -0.021 40.818 40.800 0.064 0.000 1.001 769 D HN 1.281 nan 8.370 nan 0.000 0.499 770 G N 0.712 109.616 108.800 0.175 0.000 2.320 770 G HA2 -0.388 3.573 3.960 0.002 0.000 0.242 770 G HA3 -0.388 3.573 3.960 0.002 0.000 0.242 770 G C 1.028 176.119 174.900 0.318 0.000 1.033 770 G CA 0.464 45.708 45.100 0.239 0.000 0.620 770 G HN 0.442 nan 8.290 nan 0.000 0.517 771 E N -0.343 120.022 120.200 0.275 0.000 2.206 771 E HA 0.412 4.763 4.350 0.002 0.000 0.195 771 E C 1.336 178.149 176.600 0.354 0.000 0.935 771 E CA 0.997 57.521 56.400 0.208 0.000 0.875 771 E CB 0.140 29.906 29.700 0.109 0.000 0.841 771 E HN 0.755 nan 8.360 nan 0.000 0.477 772 M N -1.036 118.777 119.600 0.354 0.000 2.683 772 M HA 0.545 5.026 4.480 0.002 0.000 0.274 772 M C -1.167 175.190 176.300 0.095 0.000 1.272 772 M CA -1.106 54.400 55.300 0.342 0.000 0.833 772 M CB 2.280 34.986 32.600 0.177 0.000 1.708 772 M HN -0.361 nan 8.290 nan 0.000 0.463 773 V N 2.098 122.016 119.914 0.006 0.000 2.459 773 V HA 0.576 4.697 4.120 0.002 0.000 0.295 773 V C -1.013 175.065 176.094 -0.028 0.000 1.029 773 V CA -0.671 61.554 62.300 -0.125 0.000 0.874 773 V CB 1.659 33.323 31.823 -0.265 0.000 0.985 773 V HN 0.734 nan 8.190 nan 0.000 0.438 774 L N 6.262 127.470 121.223 -0.025 0.000 2.298 774 L HA 0.586 4.927 4.340 0.002 0.000 0.284 774 L C -0.461 176.405 176.870 -0.007 0.000 1.013 774 L CA -0.032 54.805 54.840 -0.005 0.000 0.824 774 L CB 0.982 43.044 42.059 0.005 0.000 1.221 774 L HN 0.430 nan 8.230 nan 0.000 0.418 775 I N 5.731 126.299 120.570 -0.003 0.000 2.379 775 I HA 0.188 4.359 4.170 0.002 0.000 0.290 775 I C 1.418 177.537 176.117 0.003 0.000 1.063 775 I CA 0.325 61.627 61.300 0.004 0.000 1.351 775 I CB 0.510 38.512 38.000 0.004 0.000 1.410 775 I HN 0.862 nan 8.210 nan 0.000 0.505 776 G N 5.352 114.159 108.800 0.013 0.000 2.396 776 G HA2 0.263 4.224 3.960 0.002 0.000 0.214 776 G HA3 0.263 4.224 3.960 0.002 0.000 0.214 776 G C 0.639 175.542 174.900 0.004 0.000 1.166 776 G CA 0.633 45.737 45.100 0.007 0.000 0.793 776 G HN 0.784 nan 8.290 nan 0.000 0.533 777 G N -0.961 107.856 108.800 0.028 0.000 2.655 777 G HA2 0.461 4.422 3.960 0.002 0.000 0.296 777 G HA3 0.461 4.422 3.960 0.002 0.000 0.296 777 G C -1.590 173.354 174.900 0.074 0.000 1.485 777 G CA -0.847 44.277 45.100 0.039 0.000 0.869 777 G HN 0.153 nan 8.290 nan 0.000 0.540 778 I N 1.448 122.062 120.570 0.074 0.000 2.354 778 I HA 0.411 4.582 4.170 0.002 0.000 0.286 778 I C -0.289 175.910 176.117 0.136 0.000 1.007 778 I CA -0.446 60.906 61.300 0.087 0.000 1.167 778 I CB 1.733 39.756 38.000 0.037 0.000 1.320 778 I HN 0.214 nan 8.210 nan 0.000 0.458 779 M N 5.819 125.526 119.600 0.178 0.000 2.181 779 M HA 0.317 4.797 4.480 0.002 0.000 0.323 779 M C -0.269 176.170 176.300 0.231 0.000 1.004 779 M CA -0.381 55.072 55.300 0.255 0.000 0.941 779 M CB 2.098 34.891 32.600 0.323 0.000 1.579 779 M HN 0.454 nan 8.290 nan 0.000 0.427 780 E N 3.490 123.850 120.200 0.266 0.000 2.229 780 E HA 0.194 4.545 4.350 0.002 0.000 0.283 780 E C -1.016 175.815 176.600 0.384 0.000 1.030 780 E CA -0.321 56.222 56.400 0.238 0.000 0.836 780 E CB 0.752 30.570 29.700 0.195 0.000 1.068 780 E HN 0.647 nan 8.360 nan 0.000 0.401 781 H N 3.371 122.563 119.070 0.205 0.000 2.551 781 H HA 0.075 4.632 4.556 0.001 0.000 0.358 781 H C 0.759 176.249 175.328 0.270 0.000 1.151 781 H CA -0.950 55.220 56.048 0.204 0.000 1.374 781 H CB 1.251 31.099 29.762 0.143 0.000 1.473 781 H HN 0.555 nan 8.280 nan 0.000 0.574 782 I N 1.086 121.901 120.570 0.409 0.000 2.162 782 I HA -0.139 4.032 4.170 0.002 0.000 0.238 782 I C 0.600 176.889 176.117 0.287 0.000 1.076 782 I CA 1.119 62.634 61.300 0.357 0.000 1.353 782 I CB -0.187 37.992 38.000 0.299 0.000 1.063 782 I HN 0.611 nan 8.210 nan 0.000 0.408 783 E N 2.186 122.536 120.200 0.250 0.000 2.384 783 E HA 0.043 4.394 4.350 0.002 0.000 0.266 783 E C 0.173 176.911 176.600 0.230 0.000 1.012 783 E CA -0.231 56.295 56.400 0.211 0.000 0.901 783 E CB 0.191 29.993 29.700 0.170 0.000 0.967 783 E HN 0.180 nan 8.360 nan 0.000 0.435 784 Q N 1.668 121.583 119.800 0.192 0.000 2.535 784 Q HA 0.249 4.590 4.340 0.002 0.000 0.228 784 Q C -0.270 175.846 176.000 0.193 0.000 1.062 784 Q CA -0.514 55.389 55.803 0.167 0.000 0.967 784 Q CB 0.411 29.232 28.738 0.139 0.000 1.273 784 Q HN 0.492 nan 8.270 nan 0.000 0.554 785 A N -0.265 122.642 122.820 0.146 0.000 2.540 785 A HA 0.426 4.747 4.320 0.002 0.000 0.239 785 A C 1.130 178.888 177.584 0.291 0.000 1.061 785 A CA 0.804 52.937 52.037 0.161 0.000 0.758 785 A CB -0.794 18.238 19.000 0.054 0.000 0.991 785 A HN 1.384 nan 8.150 nan 0.000 0.502 786 G N 0.655 109.626 108.800 0.285 0.000 2.284 786 G HA2 -0.101 3.860 3.960 0.002 0.000 0.201 786 G HA3 -0.101 3.860 3.960 0.002 0.000 0.201 786 G C 0.045 175.025 174.900 0.132 0.000 0.998 786 G CA 0.023 45.275 45.100 0.252 0.000 0.651 786 G HN 1.407 nan 8.290 nan 0.000 0.489 787 V N 3.241 123.251 119.914 0.160 0.000 2.347 787 V HA 0.423 4.544 4.120 0.002 0.000 0.280 787 V C 0.779 176.953 176.094 0.134 0.000 1.021 787 V CA -1.037 61.348 62.300 0.141 0.000 0.847 787 V CB 1.276 33.185 31.823 0.143 0.000 0.990 787 V HN 0.419 nan 8.190 nan 0.000 0.444 788 H N 3.622 122.724 119.070 0.052 0.000 3.152 788 H HA -0.091 4.466 4.556 0.001 0.000 0.319 788 H C 1.611 176.935 175.328 -0.006 0.000 0.994 788 H CA 1.090 57.157 56.048 0.032 0.000 1.370 788 H CB 1.116 30.881 29.762 0.006 0.000 1.322 788 H HN 0.887 nan 8.280 nan 0.000 0.590 789 S N 2.583 118.140 115.700 -0.240 0.000 2.400 789 S HA -0.143 4.328 4.470 0.002 0.000 0.232 789 S C 2.204 176.743 174.600 -0.100 0.000 1.025 789 S CA 0.882 58.949 58.200 -0.221 0.000 0.993 789 S CB -0.379 62.790 63.200 -0.052 0.000 0.808 789 S HN 0.720 nan 8.310 nan 0.000 0.478 790 G N 0.896 109.858 108.800 0.271 0.000 2.534 790 G HA2 -0.016 3.945 3.960 0.002 0.000 0.217 790 G HA3 -0.016 3.945 3.960 0.002 0.000 0.217 790 G C 0.726 175.650 174.900 0.039 0.000 1.128 790 G CA 0.673 45.867 45.100 0.156 0.000 0.784 790 G HN 0.530 nan 8.290 nan 0.000 0.542 791 D N -0.199 120.243 120.400 0.070 0.000 2.395 791 D HA 0.205 4.846 4.640 0.002 0.000 0.213 791 D C 0.560 176.858 176.300 -0.004 0.000 1.110 791 D CA 0.049 54.067 54.000 0.030 0.000 0.835 791 D CB 0.728 41.574 40.800 0.077 0.000 0.965 791 D HN 0.059 nan 8.370 nan 0.000 0.505 792 S N 0.377 116.026 115.700 -0.085 0.000 2.578 792 S HA 0.706 5.177 4.470 0.002 0.000 0.283 792 S C 0.195 174.724 174.600 -0.119 0.000 1.195 792 S CA -0.800 57.332 58.200 -0.113 0.000 1.050 792 S CB 1.965 64.968 63.200 -0.328 0.000 1.012 792 S HN 0.209 nan 8.310 nan 0.000 0.511 793 A N 1.015 123.832 122.820 -0.005 0.000 2.304 793 A HA 0.691 5.012 4.320 0.002 0.000 0.271 793 A C 0.313 177.931 177.584 0.057 0.000 1.091 793 A CA -0.545 51.498 52.037 0.010 0.000 0.812 793 A CB -0.369 18.728 19.000 0.162 0.000 1.056 793 A HN 1.263 nan 8.150 nan 0.000 0.489 794 C N -0.673 118.650 119.300 0.038 0.000 3.318 794 C HA 0.882 5.343 4.460 0.002 0.000 0.322 794 C C -0.348 174.793 174.990 0.252 0.000 1.398 794 C CA -0.397 58.729 59.018 0.180 0.000 1.339 794 C CB 0.968 28.824 27.740 0.192 0.000 1.668 794 C HN 1.199 nan 8.230 nan 0.000 0.462 795 S N 0.445 116.386 115.700 0.402 0.000 2.526 795 S HA 0.806 5.277 4.470 0.002 0.000 0.293 795 S C -1.447 173.454 174.600 0.503 0.000 1.092 795 S CA -0.525 57.982 58.200 0.512 0.000 0.980 795 S CB 1.289 64.850 63.200 0.600 0.000 1.048 795 S HN 1.072 nan 8.310 nan 0.000 0.483 796 L N 5.973 127.499 121.223 0.505 0.000 2.404 796 L HA 0.621 4.962 4.340 0.002 0.000 0.272 796 L C -2.595 174.393 176.870 0.196 0.000 0.980 796 L CA -2.060 52.964 54.840 0.306 0.000 0.836 796 L CB 2.294 44.477 42.059 0.207 0.000 1.238 796 L HN 0.502 nan 8.230 nan 0.000 0.408 797 P HA 0.255 nan 4.420 nan 0.000 0.282 797 P C -0.869 176.584 177.300 0.255 0.000 1.287 797 P CA -0.468 62.672 63.100 0.066 0.000 0.792 797 P CB 0.629 32.275 31.700 -0.091 0.000 1.163 798 A N 0.440 123.370 122.820 0.184 0.000 2.561 798 A HA 0.021 4.342 4.320 0.002 0.000 0.234 798 A C 0.380 178.133 177.584 0.282 0.000 1.055 798 A CA 0.418 52.580 52.037 0.207 0.000 0.756 798 A CB -0.917 18.117 19.000 0.057 0.000 0.986 798 A HN 0.729 nan 8.150 nan 0.000 0.505 799 Y N 0.220 120.557 120.300 0.062 0.000 2.449 799 Y HA 0.308 4.858 4.550 0.001 0.000 0.254 799 Y C 1.283 177.095 175.900 -0.147 0.000 1.140 799 Y CA 0.734 58.800 58.100 -0.056 0.000 1.272 799 Y CB -0.212 37.972 38.460 -0.460 0.000 1.114 799 Y HN 0.653 nan 8.280 nan 0.000 0.525 800 T N -2.676 111.489 114.554 -0.649 0.000 3.073 800 T HA 0.314 4.665 4.350 0.002 0.000 0.264 800 T C 0.013 174.536 174.700 -0.295 0.000 0.893 800 T CA -0.247 61.542 62.100 -0.518 0.000 0.863 800 T CB -0.722 67.739 68.868 -0.679 0.000 1.247 800 T HN 0.112 nan 8.240 nan 0.000 0.546 801 L N 4.086 125.172 121.223 -0.228 0.000 2.367 801 L HA 0.491 4.832 4.340 0.002 0.000 0.275 801 L C 0.949 177.752 176.870 -0.112 0.000 1.129 801 L CA -0.724 54.025 54.840 -0.152 0.000 0.839 801 L CB 0.902 42.887 42.059 -0.123 0.000 1.133 801 L HN 0.403 nan 8.230 nan 0.000 0.453 802 S N 1.462 117.100 115.700 -0.104 0.000 2.563 802 S HA -0.055 4.416 4.470 0.002 0.000 0.284 802 S C 0.731 175.284 174.600 -0.078 0.000 1.331 802 S CA -0.458 57.691 58.200 -0.083 0.000 1.047 802 S CB 1.241 64.394 63.200 -0.078 0.000 0.859 802 S HN 0.695 nan 8.310 nan 0.000 0.514 803 Q N 1.051 120.812 119.800 -0.065 0.000 2.226 803 Q HA -0.144 4.197 4.340 0.002 0.000 0.204 803 Q C 1.971 177.931 176.000 -0.067 0.000 0.975 803 Q CA 2.147 57.913 55.803 -0.061 0.000 0.866 803 Q CB -0.319 28.389 28.738 -0.050 0.000 0.915 803 Q HN 0.940 nan 8.270 nan 0.000 0.440 804 E N -0.253 119.907 120.200 -0.066 0.000 2.031 804 E HA -0.191 4.159 4.350 0.002 0.000 0.193 804 E C 1.835 178.384 176.600 -0.085 0.000 0.994 804 E CA 1.305 57.664 56.400 -0.067 0.000 0.800 804 E CB -0.250 29.414 29.700 -0.061 0.000 0.752 804 E HN 0.508 nan 8.360 nan 0.000 0.447 805 I N 0.699 121.211 120.570 -0.097 0.000 2.676 805 I HA -0.228 3.943 4.170 0.002 0.000 0.259 805 I C 2.155 178.176 176.117 -0.161 0.000 1.194 805 I CA 0.895 62.120 61.300 -0.124 0.000 1.473 805 I CB -0.025 37.904 38.000 -0.119 0.000 1.096 805 I HN 0.270 nan 8.210 nan 0.000 0.443 806 Q N 0.039 119.758 119.800 -0.135 0.000 2.230 806 Q HA -0.188 4.153 4.340 0.002 0.000 0.202 806 Q C 1.469 177.389 176.000 -0.133 0.000 0.963 806 Q CA 1.130 56.847 55.803 -0.143 0.000 0.866 806 Q CB 0.073 28.753 28.738 -0.097 0.000 0.931 806 Q HN 0.472 nan 8.270 nan 0.000 0.452 807 D N -0.037 120.300 120.400 -0.105 0.000 2.144 807 D HA -0.101 4.540 4.640 0.002 0.000 0.200 807 D C 1.916 178.159 176.300 -0.095 0.000 0.978 807 D CA 0.766 54.716 54.000 -0.084 0.000 0.833 807 D CB 0.088 40.852 40.800 -0.060 0.000 0.961 807 D HN 0.045 nan 8.370 nan 0.000 0.470 808 V N 1.106 120.946 119.914 -0.123 0.000 2.407 808 V HA -0.235 3.886 4.120 0.002 0.000 0.248 808 V C 2.474 178.453 176.094 -0.191 0.000 1.055 808 V CA 1.299 63.520 62.300 -0.131 0.000 1.049 808 V CB -0.346 31.389 31.823 -0.146 0.000 0.662 808 V HN 0.195 nan 8.190 nan 0.000 0.455 809 M N -0.831 118.574 119.600 -0.324 0.000 2.099 809 M HA -0.147 4.334 4.480 0.002 0.000 0.262 809 M C 2.397 178.586 176.300 -0.185 0.000 1.067 809 M CA 1.779 56.754 55.300 -0.541 0.000 1.124 809 M CB -0.506 31.530 32.600 -0.940 0.000 1.353 809 M HN 0.148 nan 8.290 nan 0.000 0.410 810 R N 0.005 120.437 120.500 -0.113 0.000 2.127 810 R HA -0.143 4.198 4.340 0.002 0.000 0.238 810 R C 2.289 178.596 176.300 0.011 0.000 1.134 810 R CA 1.059 57.144 56.100 -0.025 0.000 0.975 810 R CB -0.271 30.013 30.300 -0.028 0.000 0.865 810 R HN 0.488 nan 8.270 nan 0.000 0.447 811 Q N 0.311 120.111 119.800 -0.000 0.000 2.096 811 Q HA -0.113 4.228 4.340 0.002 0.000 0.197 811 Q C 2.052 178.091 176.000 0.065 0.000 0.964 811 Q CA 1.217 57.038 55.803 0.030 0.000 0.838 811 Q CB 0.086 28.830 28.738 0.010 0.000 0.906 811 Q HN 0.508 nan 8.270 nan 0.000 0.444 812 Q N -0.085 119.764 119.800 0.081 0.000 2.119 812 Q HA -0.082 4.259 4.340 0.002 0.000 0.201 812 Q C 2.243 178.355 176.000 0.186 0.000 0.972 812 Q CA 1.011 56.907 55.803 0.154 0.000 0.847 812 Q CB 0.106 28.991 28.738 0.246 0.000 0.903 812 Q HN 0.148 nan 8.270 nan 0.000 0.433 813 V N 1.166 121.204 119.914 0.208 0.000 2.407 813 V HA -0.313 3.808 4.120 0.002 0.000 0.248 813 V C 2.339 178.458 176.094 0.041 0.000 1.055 813 V CA 2.160 64.555 62.300 0.160 0.000 1.049 813 V CB -0.534 31.378 31.823 0.148 0.000 0.662 813 V HN 0.431 nan 8.190 nan 0.000 0.455 814 Q N -0.041 119.778 119.800 0.030 0.000 2.046 814 Q HA -0.239 4.102 4.340 0.002 0.000 0.200 814 Q C 2.309 178.328 176.000 0.032 0.000 0.975 814 Q CA 1.802 57.587 55.803 -0.030 0.000 0.836 814 Q CB -0.082 28.683 28.738 0.044 0.000 0.896 814 Q HN 0.569 nan 8.270 nan 0.000 0.428 815 K N 0.048 120.516 120.400 0.112 0.000 2.097 815 K HA -0.102 4.219 4.320 0.002 0.000 0.206 815 K C 2.125 178.796 176.600 0.118 0.000 1.049 815 K CA 1.151 57.529 56.287 0.151 0.000 0.933 815 K CB -0.031 32.536 32.500 0.112 0.000 0.717 815 K HN 0.244 nan 8.250 nan 0.000 0.442 816 L N 0.257 121.528 121.223 0.079 0.000 2.056 816 L HA -0.171 4.170 4.340 0.002 0.000 0.207 816 L C 2.538 179.431 176.870 0.038 0.000 1.078 816 L CA 1.080 55.964 54.840 0.073 0.000 0.749 816 L CB -0.530 41.582 42.059 0.088 0.000 0.901 816 L HN 0.198 nan 8.230 nan 0.000 0.433 817 A N 0.172 122.962 122.820 -0.050 0.000 1.851 817 A HA -0.247 4.074 4.320 0.002 0.000 0.216 817 A C 2.030 179.551 177.584 -0.106 0.000 1.195 817 A CA 1.836 53.784 52.037 -0.149 0.000 0.622 817 A CB -0.930 17.861 19.000 -0.348 0.000 0.831 817 A HN 0.281 nan 8.150 nan 0.000 0.444 818 F N -0.155 119.821 119.950 0.044 0.000 2.102 818 F HA -0.103 4.424 4.527 0.002 0.000 0.298 818 F C 2.386 178.206 175.800 0.033 0.000 1.105 818 F CA 1.661 59.682 58.000 0.034 0.000 1.239 818 F CB -0.887 38.130 39.000 0.029 0.000 0.991 818 F HN 0.344 nan 8.300 nan 0.000 0.474 819 E N 0.675 120.999 120.200 0.208 0.000 2.085 819 E HA -0.160 4.191 4.350 0.002 0.000 0.194 819 E C 1.758 178.419 176.600 0.101 0.000 0.994 819 E CA 1.336 57.814 56.400 0.130 0.000 0.801 819 E CB -0.454 29.303 29.700 0.095 0.000 0.743 819 E HN 0.417 nan 8.360 nan 0.000 0.453 820 L N 0.764 122.043 121.223 0.093 0.000 2.612 820 L HA 0.088 4.428 4.340 0.002 0.000 0.230 820 L C 0.014 176.926 176.870 0.070 0.000 1.140 820 L CA 0.100 54.987 54.840 0.079 0.000 0.896 820 L CB -0.264 41.844 42.059 0.081 0.000 1.065 820 L HN 0.169 nan 8.230 nan 0.000 0.447 821 Q N -1.186 118.666 119.800 0.087 0.000 2.453 821 Q HA -0.169 4.171 4.340 0.002 0.000 0.294 821 Q C -0.074 175.961 176.000 0.058 0.000 1.295 821 Q CA 0.278 56.132 55.803 0.085 0.000 0.853 821 Q CB -2.578 26.204 28.738 0.074 0.000 1.193 821 Q HN 0.270 nan 8.270 nan 0.000 0.461 822 V N 1.557 121.493 119.914 0.037 0.000 2.740 822 V HA 0.129 4.250 4.120 0.002 0.000 0.303 822 V C 1.056 177.164 176.094 0.023 0.000 1.054 822 V CA 0.430 62.742 62.300 0.019 0.000 1.106 822 V CB 0.879 32.698 31.823 -0.007 0.000 0.957 822 V HN 0.250 nan 8.190 nan 0.000 0.486 823 R N 3.804 124.320 120.500 0.027 0.000 2.545 823 R HA 0.597 4.938 4.340 0.002 0.000 0.289 823 R C 0.289 176.607 176.300 0.031 0.000 1.327 823 R CA 0.348 56.465 56.100 0.029 0.000 1.040 823 R CB 1.219 31.535 30.300 0.027 0.000 1.176 823 R HN 1.097 nan 8.270 nan 0.000 0.518 824 G N 1.653 110.478 108.800 0.042 0.000 2.395 824 G HA2 -0.175 3.786 3.960 0.002 0.000 0.201 824 G HA3 -0.175 3.786 3.960 0.002 0.000 0.201 824 G C -0.902 174.048 174.900 0.084 0.000 1.206 824 G CA -0.941 44.204 45.100 0.076 0.000 1.210 824 G HN 0.301 nan 8.290 nan 0.000 0.557 825 L N 1.566 122.870 121.223 0.135 0.000 2.453 825 L HA 0.763 5.104 4.340 0.002 0.000 0.261 825 L C 0.998 177.911 176.870 0.073 0.000 1.179 825 L CA 0.066 54.967 54.840 0.101 0.000 0.813 825 L CB 1.100 43.228 42.059 0.115 0.000 1.110 825 L HN 0.935 nan 8.230 nan 0.000 0.466 826 M N 0.878 120.507 119.600 0.049 0.000 2.644 826 M HA 0.471 4.952 4.480 0.002 0.000 0.273 826 M C -1.750 174.570 176.300 0.033 0.000 1.253 826 M CA -0.786 54.535 55.300 0.034 0.000 0.852 826 M CB 2.389 34.996 32.600 0.012 0.000 1.708 826 M HN 0.498 nan 8.290 nan 0.000 0.471 827 N N 1.082 119.794 118.700 0.021 0.000 2.260 827 N HA 0.698 5.439 4.740 0.002 0.000 0.293 827 N C -2.339 173.158 175.510 -0.021 0.000 1.058 827 N CA -0.317 52.746 53.050 0.021 0.000 0.824 827 N CB 2.981 41.488 38.487 0.034 0.000 1.551 827 N HN 0.654 nan 8.380 nan 0.000 0.475 828 V N 2.343 122.243 119.914 -0.023 0.000 2.709 828 V HA 0.423 4.544 4.120 0.002 0.000 0.308 828 V C -0.646 175.341 176.094 -0.178 0.000 1.062 828 V CA -0.772 61.435 62.300 -0.154 0.000 0.901 828 V CB 1.849 33.562 31.823 -0.184 0.000 1.003 828 V HN 0.610 nan 8.190 nan 0.000 0.425 829 Q N 3.495 123.106 119.800 -0.315 0.000 2.331 829 Q HA 0.699 5.040 4.340 0.002 0.000 0.267 829 Q C -1.656 174.121 176.000 -0.372 0.000 1.006 829 Q CA -0.301 55.377 55.803 -0.210 0.000 0.818 829 Q CB 2.575 31.242 28.738 -0.118 0.000 1.276 829 Q HN 0.650 nan 8.270 nan 0.000 0.450 830 F N 0.378 120.328 119.950 -0.001 0.000 2.618 830 F HA 0.791 5.319 4.527 0.001 0.000 0.332 830 F C -0.189 175.612 175.800 0.002 0.000 1.061 830 F CA -1.120 56.896 58.000 0.026 0.000 0.974 830 F CB 1.680 40.690 39.000 0.016 0.000 1.310 830 F HN 0.499 nan 8.300 nan 0.000 0.491 831 A N 0.924 123.920 122.820 0.292 0.000 2.359 831 A HA 0.748 5.069 4.320 0.002 0.000 0.303 831 A C -1.702 176.014 177.584 0.221 0.000 1.066 831 A CA -0.653 51.480 52.037 0.160 0.000 0.730 831 A CB 1.122 20.154 19.000 0.053 0.000 1.211 831 A HN 0.489 nan 8.150 nan 0.000 0.439 832 V N 2.902 122.883 119.914 0.112 0.000 2.370 832 V HA 0.564 4.685 4.120 0.002 0.000 0.283 832 V C 0.096 176.238 176.094 0.080 0.000 1.023 832 V CA -0.340 62.017 62.300 0.096 0.000 0.857 832 V CB 1.269 33.093 31.823 0.002 0.000 0.985 832 V HN 0.850 nan 8.190 nan 0.000 0.443 833 K N 3.986 124.479 120.400 0.156 0.000 2.553 833 K HA 0.371 4.692 4.320 0.002 0.000 0.250 833 K C 0.024 176.698 176.600 0.124 0.000 0.953 833 K CA -0.570 55.779 56.287 0.105 0.000 0.800 833 K CB 1.055 33.578 32.500 0.039 0.000 1.243 833 K HN 0.807 nan 8.250 nan 0.000 0.435 834 N N 3.661 122.389 118.700 0.047 0.000 2.727 834 N HA -0.280 4.461 4.740 0.002 0.000 0.249 834 N C -0.683 174.837 175.510 0.017 0.000 1.048 834 N CA 0.837 53.906 53.050 0.031 0.000 0.714 834 N CB -1.042 37.472 38.487 0.046 0.000 0.959 834 N HN 0.975 nan 8.380 nan 0.000 0.544 835 N N -0.365 118.335 118.700 -0.000 0.000 2.754 835 N HA -0.193 4.548 4.740 0.002 0.000 0.248 835 N C -1.486 174.001 175.510 -0.038 0.000 1.093 835 N CA 1.027 54.061 53.050 -0.027 0.000 0.699 835 N CB -0.239 38.226 38.487 -0.036 0.000 1.016 835 N HN 0.491 nan 8.380 nan 0.000 0.552 836 E N 0.192 120.382 120.200 -0.016 0.000 2.275 836 E HA 0.280 4.631 4.350 0.002 0.000 0.270 836 E C -0.621 175.926 176.600 -0.088 0.000 0.882 836 E CA -0.722 55.620 56.400 -0.096 0.000 0.758 836 E CB 2.598 32.215 29.700 -0.138 0.000 1.195 836 E HN -0.004 nan 8.360 nan 0.000 0.419 837 V N 3.556 123.367 119.914 -0.172 0.000 2.432 837 V HA 0.245 4.366 4.120 0.002 0.000 0.275 837 V C -0.922 175.097 176.094 -0.125 0.000 1.043 837 V CA -0.230 62.029 62.300 -0.069 0.000 0.925 837 V CB -0.138 31.618 31.823 -0.111 0.000 0.985 837 V HN 0.512 nan 8.190 nan 0.000 0.466 838 Y N 4.105 124.501 120.300 0.159 0.000 2.376 838 Y HA 0.543 5.094 4.550 0.002 0.000 0.340 838 Y C -0.146 175.882 175.900 0.214 0.000 0.965 838 Y CA -1.063 57.126 58.100 0.149 0.000 1.078 838 Y CB 1.732 40.240 38.460 0.080 0.000 1.193 838 Y HN 0.407 nan 8.280 nan 0.000 0.452 839 L N 4.001 125.394 121.223 0.284 0.000 2.331 839 L HA 0.305 4.646 4.340 0.002 0.000 0.278 839 L C 0.210 177.151 176.870 0.118 0.000 1.106 839 L CA 0.647 55.548 54.840 0.101 0.000 0.824 839 L CB 0.469 42.606 42.059 0.130 0.000 1.142 839 L HN 0.805 nan 8.230 nan 0.000 0.443 840 I N 2.283 122.846 120.570 -0.011 0.000 3.300 840 I HA 0.154 4.324 4.170 0.002 0.000 0.279 840 I C 0.201 176.283 176.117 -0.057 0.000 1.172 840 I CA 0.168 61.474 61.300 0.010 0.000 1.431 840 I CB 0.506 38.492 38.000 -0.024 0.000 1.240 840 I HN 0.767 nan 8.210 nan 0.000 0.453 841 E N -0.596 119.494 120.200 -0.183 0.000 2.409 841 E HA 0.385 4.736 4.350 0.002 0.000 0.280 841 E C -1.712 174.644 176.600 -0.407 0.000 1.079 841 E CA -0.755 55.403 56.400 -0.404 0.000 0.840 841 E CB 2.048 31.551 29.700 -0.327 0.000 1.309 841 E HN -0.232 nan 8.360 nan 0.000 0.447 842 V N 2.327 121.894 119.914 -0.579 0.000 2.444 842 V HA 0.426 4.547 4.120 0.002 0.000 0.294 842 V C -0.953 175.000 176.094 -0.235 0.000 1.022 842 V CA -0.946 61.170 62.300 -0.308 0.000 0.850 842 V CB 1.600 33.336 31.823 -0.145 0.000 0.992 842 V HN 0.607 nan 8.190 nan 0.000 0.426 843 N N 6.674 125.300 118.700 -0.122 0.000 2.621 843 N HA 0.309 5.050 4.740 0.002 0.000 0.237 843 N C -2.494 173.004 175.510 -0.020 0.000 0.997 843 N CA -1.382 51.628 53.050 -0.066 0.000 0.918 843 N CB 2.038 40.513 38.487 -0.021 0.000 1.122 843 N HN 0.385 nan 8.380 nan 0.000 0.510 844 P HA 0.032 nan 4.420 nan 0.000 0.261 844 P C -0.347 176.977 177.300 0.041 0.000 1.650 844 P CA 0.313 63.420 63.100 0.012 0.000 0.846 844 P CB -0.104 31.601 31.700 0.007 0.000 1.758 845 R N -2.037 118.502 120.500 0.064 0.000 2.902 845 R HA 0.752 5.093 4.340 0.002 0.000 0.264 845 R C -1.111 175.273 176.300 0.140 0.000 1.059 845 R CA -1.202 54.969 56.100 0.119 0.000 0.935 845 R CB 0.045 30.407 30.300 0.103 0.000 1.325 845 R HN -0.166 nan 8.270 nan 0.000 0.438 846 A N 0.607 123.538 122.820 0.185 0.000 2.488 846 A HA 0.586 4.907 4.320 0.002 0.000 0.249 846 A C 0.141 177.847 177.584 0.203 0.000 1.083 846 A CA 0.234 52.327 52.037 0.094 0.000 0.768 846 A CB -0.078 18.848 19.000 -0.124 0.000 1.017 846 A HN 0.778 nan 8.150 nan 0.000 0.496 847 A N 2.240 125.126 122.820 0.111 0.000 2.256 847 A HA 0.596 4.917 4.320 0.002 0.000 0.318 847 A C 1.289 178.828 177.584 -0.075 0.000 1.103 847 A CA -0.276 51.848 52.037 0.145 0.000 0.860 847 A CB 0.393 19.450 19.000 0.095 0.000 1.182 847 A HN 1.004 nan 8.150 nan 0.000 0.501 848 R N -0.718 119.693 120.500 -0.148 0.000 2.285 848 R HA -0.084 4.257 4.340 0.002 0.000 0.213 848 R C 0.998 177.153 176.300 -0.241 0.000 1.068 848 R CA 1.799 57.634 56.100 -0.442 0.000 1.004 848 R CB -0.992 29.076 30.300 -0.387 0.000 0.873 848 R HN 0.670 nan 8.270 nan 0.000 0.467 849 T N -2.048 112.451 114.554 -0.092 0.000 3.085 849 T HA 0.089 4.440 4.350 0.002 0.000 0.263 849 T C 1.877 176.593 174.700 0.026 0.000 1.127 849 T CA 0.384 62.490 62.100 0.010 0.000 1.103 849 T CB -0.047 68.872 68.868 0.085 0.000 0.921 849 T HN 0.022 nan 8.240 nan 0.000 0.510 850 V N 3.052 122.929 119.914 -0.061 0.000 2.252 850 V HA -0.132 3.989 4.120 0.002 0.000 0.249 850 V C -0.056 175.990 176.094 -0.081 0.000 1.056 850 V CA 2.135 64.400 62.300 -0.058 0.000 1.022 850 V CB -1.425 30.347 31.823 -0.086 0.000 0.641 850 V HN 0.415 nan 8.190 nan 0.000 0.445 851 P HA -0.189 nan 4.420 nan 0.000 0.215 851 P C 1.729 178.909 177.300 -0.200 0.000 1.153 851 P CA 1.566 64.386 63.100 -0.466 0.000 0.853 851 P CB -0.190 30.881 31.700 -1.049 0.000 0.788 852 F N 0.660 120.482 119.950 -0.212 0.000 2.075 852 F HA -0.195 4.333 4.527 0.002 0.000 0.297 852 F C 2.013 177.797 175.800 -0.026 0.000 1.113 852 F CA 1.426 59.365 58.000 -0.102 0.000 1.218 852 F CB -1.069 37.882 39.000 -0.081 0.000 0.984 852 F HN -0.320 nan 8.300 nan 0.000 0.472 853 V N 0.038 119.891 119.914 -0.100 0.000 2.332 853 V HA -0.336 3.784 4.120 0.002 0.000 0.248 853 V C 2.504 178.512 176.094 -0.143 0.000 1.055 853 V CA 2.207 64.410 62.300 -0.162 0.000 1.038 853 V CB -1.012 30.813 31.823 0.003 0.000 0.651 853 V HN 0.443 nan 8.190 nan 0.000 0.450 854 S N -0.784 114.878 115.700 -0.064 0.000 2.356 854 S HA -0.192 4.279 4.470 0.002 0.000 0.223 854 S C 2.066 176.676 174.600 0.017 0.000 1.032 854 S CA 1.282 59.485 58.200 0.005 0.000 1.005 854 S CB -0.290 62.981 63.200 0.120 0.000 0.867 854 S HN 0.374 nan 8.310 nan 0.000 0.449 855 K N 2.010 122.415 120.400 0.009 0.000 2.057 855 K HA 0.199 4.520 4.320 0.002 0.000 0.206 855 K C 2.186 178.870 176.600 0.140 0.000 1.050 855 K CA 1.289 57.637 56.287 0.103 0.000 0.935 855 K CB -1.045 31.452 32.500 -0.004 0.000 0.715 855 K HN 0.299 nan 8.250 nan 0.000 0.439 856 A N 0.096 122.847 122.820 -0.114 0.000 1.902 856 A HA -0.147 4.174 4.320 0.002 0.000 0.217 856 A C 2.107 179.705 177.584 0.024 0.000 1.181 856 A CA 2.492 54.478 52.037 -0.085 0.000 0.623 856 A CB -0.860 17.881 19.000 -0.431 0.000 0.818 856 A HN 0.489 nan 8.150 nan 0.000 0.443 857 T N -5.340 109.160 114.554 -0.090 0.000 3.040 857 T HA 0.416 4.767 4.350 0.002 0.000 0.250 857 T C 1.415 175.950 174.700 -0.275 0.000 1.058 857 T CA 1.071 63.087 62.100 -0.140 0.000 0.988 857 T CB 0.265 69.058 68.868 -0.125 0.000 0.993 857 T HN 1.717 nan 8.240 nan 0.000 0.519 858 G N 0.881 109.381 108.800 -0.501 0.000 2.184 858 G HA2 -0.235 3.726 3.960 0.002 0.000 0.264 858 G HA3 -0.235 3.726 3.960 0.002 0.000 0.264 858 G C 0.048 174.760 174.900 -0.315 0.000 0.975 858 G CA 0.149 44.709 45.100 -0.900 0.000 0.642 858 G HN 0.754 nan 8.290 nan 0.000 0.536 859 V N 2.446 122.260 119.914 -0.166 0.000 2.370 859 V HA 0.491 4.612 4.120 0.002 0.000 0.279 859 V C -1.703 174.391 176.094 0.001 0.000 1.029 859 V CA -1.469 60.789 62.300 -0.071 0.000 0.870 859 V CB 1.809 33.600 31.823 -0.054 0.000 0.984 859 V HN 0.169 nan 8.190 nan 0.000 0.451 860 P HA 0.261 nan 4.420 nan 0.000 0.256 860 P C 0.769 178.135 177.300 0.109 0.000 1.689 860 P CA -0.159 63.010 63.100 0.115 0.000 1.124 860 P CB 0.603 32.314 31.700 0.020 0.000 1.766 861 L N 2.018 123.308 121.223 0.112 0.000 2.083 861 L HA -0.179 4.162 4.340 0.002 0.000 0.209 861 L C 2.507 179.441 176.870 0.107 0.000 1.083 861 L CA 1.808 56.699 54.840 0.084 0.000 0.752 861 L CB -0.884 41.207 42.059 0.053 0.000 0.899 861 L HN 0.210 nan 8.230 nan 0.000 0.433 862 A N 0.116 123.017 122.820 0.135 0.000 1.969 862 A HA -0.168 4.153 4.320 0.002 0.000 0.218 862 A C 2.325 180.059 177.584 0.251 0.000 1.169 862 A CA 1.376 53.477 52.037 0.107 0.000 0.635 862 A CB -0.238 18.741 19.000 -0.034 0.000 0.810 862 A HN 0.350 nan 8.150 nan 0.000 0.445 863 K N -0.390 120.113 120.400 0.173 0.000 2.103 863 K HA -0.008 4.313 4.320 0.002 0.000 0.204 863 K C 1.842 178.494 176.600 0.087 0.000 1.052 863 K CA 1.246 57.585 56.287 0.087 0.000 0.945 863 K CB -0.311 32.164 32.500 -0.041 0.000 0.722 863 K HN 0.298 nan 8.250 nan 0.000 0.443 864 V N 1.702 121.666 119.914 0.083 0.000 2.307 864 V HA -0.232 3.889 4.120 0.002 0.000 0.245 864 V C 2.412 178.559 176.094 0.089 0.000 1.045 864 V CA 2.110 64.451 62.300 0.068 0.000 1.024 864 V CB -0.714 31.141 31.823 0.052 0.000 0.651 864 V HN 0.342 nan 8.190 nan 0.000 0.449 865 A N -0.107 122.793 122.820 0.133 0.000 1.972 865 A HA -0.048 4.273 4.320 0.002 0.000 0.219 865 A C 2.377 180.049 177.584 0.147 0.000 1.169 865 A CA 1.885 54.016 52.037 0.156 0.000 0.635 865 A CB -0.647 18.479 19.000 0.210 0.000 0.810 865 A HN 0.567 nan 8.150 nan 0.000 0.446 866 A N 0.034 122.962 122.820 0.180 0.000 1.930 866 A HA -0.128 4.193 4.320 0.002 0.000 0.217 866 A C 2.208 179.780 177.584 -0.020 0.000 1.175 866 A CA 1.404 53.459 52.037 0.030 0.000 0.627 866 A CB -0.398 18.636 19.000 0.056 0.000 0.815 866 A HN 0.558 nan 8.150 nan 0.000 0.443 867 R N -0.732 119.783 120.500 0.025 0.000 2.092 867 R HA -0.044 4.297 4.340 0.002 0.000 0.231 867 R C 1.943 178.255 176.300 0.020 0.000 1.119 867 R CA 1.248 57.362 56.100 0.023 0.000 0.970 867 R CB -0.527 29.802 30.300 0.047 0.000 0.864 867 R HN 0.362 nan 8.270 nan 0.000 0.440 868 V N 1.317 121.248 119.914 0.028 0.000 2.343 868 V HA -0.275 3.846 4.120 0.002 0.000 0.247 868 V C 2.304 178.401 176.094 0.005 0.000 1.051 868 V CA 1.798 64.114 62.300 0.027 0.000 1.036 868 V CB -0.342 31.505 31.823 0.039 0.000 0.654 868 V HN 0.326 nan 8.190 nan 0.000 0.451 869 M N -0.189 119.398 119.600 -0.022 0.000 2.108 869 M HA -0.163 4.318 4.480 0.002 0.000 0.261 869 M C 2.155 178.408 176.300 -0.078 0.000 1.066 869 M CA 2.174 57.438 55.300 -0.060 0.000 1.107 869 M CB -0.506 32.025 32.600 -0.115 0.000 1.356 869 M HN 0.384 nan 8.290 nan 0.000 0.406 870 A N -0.688 122.069 122.820 -0.105 0.000 2.206 870 A HA 0.289 4.610 4.320 0.002 0.000 0.211 870 A C 1.668 179.252 177.584 0.001 0.000 1.158 870 A CA 1.104 53.063 52.037 -0.131 0.000 0.761 870 A CB -0.628 18.182 19.000 -0.318 0.000 0.801 870 A HN 0.693 nan 8.150 nan 0.000 0.473 871 G N -1.373 107.437 108.800 0.017 0.000 2.192 871 G HA2 -0.180 3.781 3.960 0.002 0.000 0.193 871 G HA3 -0.180 3.781 3.960 0.002 0.000 0.193 871 G C 0.193 175.124 174.900 0.052 0.000 0.999 871 G CA 0.139 45.265 45.100 0.043 0.000 0.659 871 G HN 0.473 nan 8.290 nan 0.000 0.503 872 K N 2.165 122.599 120.400 0.056 0.000 2.262 872 K HA 0.520 4.840 4.320 0.002 0.000 0.282 872 K C 1.160 177.786 176.600 0.044 0.000 1.066 872 K CA 0.333 56.652 56.287 0.053 0.000 0.901 872 K CB 0.610 33.147 32.500 0.062 0.000 1.089 872 K HN 0.436 nan 8.250 nan 0.000 0.476 873 S N 3.260 118.985 115.700 0.041 0.000 2.589 873 S HA 0.048 4.519 4.470 0.002 0.000 0.265 873 S C 1.504 176.128 174.600 0.039 0.000 1.342 873 S CA -0.506 57.719 58.200 0.042 0.000 1.005 873 S CB 0.572 63.797 63.200 0.043 0.000 0.909 873 S HN 0.639 nan 8.310 nan 0.000 0.555 874 L N 1.438 122.686 121.223 0.041 0.000 2.012 874 L HA -0.127 4.214 4.340 0.002 0.000 0.210 874 L C 3.099 179.987 176.870 0.031 0.000 1.073 874 L CA 1.791 56.653 54.840 0.036 0.000 0.748 874 L CB -1.209 40.873 42.059 0.038 0.000 0.891 874 L HN 0.954 nan 8.230 nan 0.000 0.431 875 A N 0.239 123.080 122.820 0.034 0.000 1.865 875 A HA -0.247 4.074 4.320 0.002 0.000 0.217 875 A C 2.117 179.715 177.584 0.024 0.000 1.191 875 A CA 1.927 53.981 52.037 0.028 0.000 0.623 875 A CB -0.584 18.435 19.000 0.030 0.000 0.826 875 A HN 0.493 nan 8.150 nan 0.000 0.444 876 E N -0.039 120.177 120.200 0.026 0.000 2.160 876 E HA -0.245 4.106 4.350 0.002 0.000 0.195 876 E C 2.059 178.672 176.600 0.022 0.000 0.991 876 E CA 1.537 57.951 56.400 0.024 0.000 0.810 876 E CB -0.240 29.476 29.700 0.027 0.000 0.742 876 E HN 0.814 nan 8.360 nan 0.000 0.466 877 Q N -0.581 119.233 119.800 0.024 0.000 2.424 877 Q HA 0.114 4.455 4.340 0.002 0.000 0.204 877 Q C 0.989 176.998 176.000 0.015 0.000 0.933 877 Q CA 0.461 56.277 55.803 0.021 0.000 0.929 877 Q CB 0.693 29.446 28.738 0.025 0.000 1.037 877 Q HN 0.347 nan 8.270 nan 0.000 0.511 878 G N 0.853 109.661 108.800 0.015 0.000 2.171 878 G HA2 -0.210 3.751 3.960 0.002 0.000 0.238 878 G HA3 -0.210 3.751 3.960 0.002 0.000 0.238 878 G C -0.189 174.715 174.900 0.007 0.000 1.039 878 G CA -0.006 45.099 45.100 0.010 0.000 0.759 878 G HN 0.200 nan 8.290 nan 0.000 0.501 879 V N 1.194 121.114 119.914 0.011 0.000 2.327 879 V HA 0.584 4.705 4.120 0.002 0.000 0.272 879 V C 0.886 176.987 176.094 0.011 0.000 1.019 879 V CA 0.395 62.699 62.300 0.007 0.000 0.814 879 V CB 0.918 32.746 31.823 0.008 0.000 1.040 879 V HN 0.681 nan 8.190 nan 0.000 0.440 880 T N -0.787 113.771 114.554 0.008 0.000 2.986 880 T HA 0.287 4.638 4.350 0.002 0.000 0.264 880 T C 0.398 175.102 174.700 0.007 0.000 0.964 880 T CA -0.292 61.816 62.100 0.013 0.000 0.895 880 T CB 0.469 69.347 68.868 0.016 0.000 1.163 880 T HN 0.415 nan 8.240 nan 0.000 0.517 881 K N 2.353 122.752 120.400 -0.002 0.000 2.292 881 K HA 0.444 4.765 4.320 0.002 0.000 0.257 881 K C -0.558 176.032 176.600 -0.018 0.000 0.940 881 K CA -0.518 55.763 56.287 -0.009 0.000 0.811 881 K CB 2.678 35.170 32.500 -0.013 0.000 1.120 881 K HN 0.355 nan 8.250 nan 0.000 0.428 882 E N 2.188 122.377 120.200 -0.019 0.000 2.502 882 E HA -0.008 4.343 4.350 0.002 0.000 0.261 882 E C -0.908 175.666 176.600 -0.043 0.000 0.974 882 E CA -0.155 56.229 56.400 -0.027 0.000 0.936 882 E CB 0.657 30.341 29.700 -0.025 0.000 0.926 882 E HN 0.201 nan 8.360 nan 0.000 0.459 883 V N 6.699 126.580 119.914 -0.054 0.000 2.394 883 V HA 0.251 4.372 4.120 0.002 0.000 0.282 883 V C 0.058 176.092 176.094 -0.099 0.000 1.031 883 V CA -0.632 61.621 62.300 -0.077 0.000 0.881 883 V CB 1.272 33.041 31.823 -0.090 0.000 0.982 883 V HN 0.581 nan 8.190 nan 0.000 0.451 884 I N 7.024 127.526 120.570 -0.114 0.000 2.354 884 I HA 0.390 4.561 4.170 0.002 0.000 0.286 884 I C -2.231 173.755 176.117 -0.218 0.000 1.007 884 I CA -1.880 59.331 61.300 -0.148 0.000 1.167 884 I CB 1.592 39.518 38.000 -0.123 0.000 1.320 884 I HN 0.419 nan 8.210 nan 0.000 0.458 885 P HA 0.251 nan 4.420 nan 0.000 0.274 885 P C -1.964 175.011 177.300 -0.543 0.000 1.237 885 P CA -1.139 61.645 63.100 -0.528 0.000 0.793 885 P CB 0.058 31.212 31.700 -0.911 0.000 0.977 886 P HA 0.004 nan 4.420 nan 0.000 0.241 886 P C -0.431 176.716 177.300 -0.255 0.000 1.191 886 P CA 0.938 63.859 63.100 -0.298 0.000 0.771 886 P CB -0.057 31.575 31.700 -0.114 0.000 0.929 887 Y N -2.710 117.565 120.300 -0.041 0.000 2.630 887 Y HA 0.647 5.198 4.550 0.001 0.000 0.337 887 Y C -0.270 175.625 175.900 -0.008 0.000 1.051 887 Y CA -2.322 55.788 58.100 0.017 0.000 1.121 887 Y CB 0.025 38.516 38.460 0.052 0.000 1.299 887 Y HN -0.334 nan 8.280 nan 0.000 0.498 888 Y N 0.349 120.833 120.300 0.307 0.000 2.334 888 Y HA 0.591 5.142 4.550 0.002 0.000 0.328 888 Y C -0.135 175.948 175.900 0.304 0.000 1.130 888 Y CA -0.192 58.062 58.100 0.257 0.000 1.163 888 Y CB 1.973 40.577 38.460 0.240 0.000 1.207 888 Y HN 0.629 nan 8.280 nan 0.000 0.471 889 S N 2.098 118.069 115.700 0.453 0.000 2.502 889 S HA 0.676 5.147 4.470 0.002 0.000 0.304 889 S C -1.154 173.761 174.600 0.525 0.000 1.097 889 S CA -0.758 57.669 58.200 0.378 0.000 1.045 889 S CB 1.466 64.753 63.200 0.145 0.000 1.019 889 S HN 0.330 nan 8.310 nan 0.000 0.481 890 V N 3.553 123.708 119.914 0.402 0.000 2.656 890 V HA 0.527 4.648 4.120 0.002 0.000 0.307 890 V C -0.207 175.943 176.094 0.094 0.000 1.051 890 V CA -0.806 61.653 62.300 0.265 0.000 0.893 890 V CB 1.987 33.840 31.823 0.049 0.000 0.999 890 V HN 0.780 nan 8.190 nan 0.000 0.426 891 K N 3.411 123.686 120.400 -0.208 0.000 2.182 891 K HA 0.679 5.000 4.320 0.002 0.000 0.262 891 K C -1.067 175.363 176.600 -0.283 0.000 0.957 891 K CA -0.397 55.614 56.287 -0.459 0.000 0.842 891 K CB 2.017 33.882 32.500 -1.059 0.000 1.099 891 K HN 0.720 nan 8.250 nan 0.000 0.438 892 E N 2.803 122.857 120.200 -0.244 0.000 2.317 892 E HA 0.317 4.668 4.350 0.002 0.000 0.270 892 E C -1.336 175.167 176.600 -0.162 0.000 0.885 892 E CA -0.874 55.403 56.400 -0.206 0.000 0.760 892 E CB 1.799 31.334 29.700 -0.275 0.000 1.227 892 E HN 0.416 nan 8.360 nan 0.000 0.434 893 V N 1.104 120.946 119.914 -0.120 0.000 3.096 893 V HA 0.862 4.983 4.120 0.002 0.000 0.319 893 V C -0.214 175.835 176.094 -0.074 0.000 1.082 893 V CA -0.567 61.676 62.300 -0.096 0.000 1.022 893 V CB 1.511 33.287 31.823 -0.078 0.000 1.103 893 V HN 0.616 nan 8.190 nan 0.000 0.455 894 V N 1.026 120.898 119.914 -0.070 0.000 2.487 894 V HA 0.743 4.864 4.120 0.002 0.000 0.298 894 V C -0.605 175.440 176.094 -0.081 0.000 1.028 894 V CA -0.596 61.667 62.300 -0.061 0.000 0.860 894 V CB 0.877 32.666 31.823 -0.056 0.000 0.991 894 V HN 0.864 nan 8.190 nan 0.000 0.427 895 L N 6.151 127.317 121.223 -0.095 0.000 2.322 895 L HA 0.644 4.985 4.340 0.002 0.000 0.279 895 L C -1.633 175.096 176.870 -0.235 0.000 1.036 895 L CA -1.469 53.232 54.840 -0.232 0.000 0.807 895 L CB 2.221 44.063 42.059 -0.363 0.000 1.226 895 L HN 0.457 nan 8.230 nan 0.000 0.433 896 P HA 0.088 nan 4.420 nan 0.000 0.256 896 P C 1.059 178.241 177.300 -0.196 0.000 1.384 896 P CA 0.037 62.987 63.100 -0.250 0.000 0.879 896 P CB 0.016 31.583 31.700 -0.221 0.000 1.403 897 F N 2.359 122.348 119.950 0.064 0.000 2.184 897 F HA -0.225 4.303 4.527 0.002 0.000 0.301 897 F C 2.114 177.912 175.800 -0.004 0.000 1.076 897 F CA 1.520 59.579 58.000 0.098 0.000 1.295 897 F CB -1.784 37.307 39.000 0.152 0.000 1.026 897 F HN 0.131 nan 8.300 nan 0.000 0.494 898 N N 0.396 119.153 118.700 0.096 0.000 2.573 898 N HA -0.158 4.583 4.740 0.002 0.000 0.187 898 N C 1.150 176.574 175.510 -0.144 0.000 1.107 898 N CA 0.876 53.924 53.050 -0.003 0.000 0.918 898 N CB -0.354 38.125 38.487 -0.012 0.000 0.966 898 N HN 0.212 nan 8.380 nan 0.000 0.448 899 K N -0.209 119.985 120.400 -0.343 0.000 2.356 899 K HA 0.124 4.445 4.320 0.002 0.000 0.195 899 K C -0.384 175.751 176.600 -0.775 0.000 1.037 899 K CA 0.217 56.104 56.287 -0.667 0.000 1.014 899 K CB 0.177 32.009 32.500 -1.113 0.000 0.815 899 K HN 0.210 nan 8.250 nan 0.000 0.507 900 F N 0.833 120.753 119.950 -0.051 0.000 2.710 900 F HA 0.290 4.817 4.527 0.001 0.000 0.345 900 F C -1.856 173.978 175.800 0.057 0.000 1.362 900 F CA -2.595 55.403 58.000 -0.002 0.000 1.175 900 F CB 1.322 40.287 39.000 -0.058 0.000 1.561 900 F HN -0.170 nan 8.300 nan 0.000 0.593 901 P HA -0.187 nan 4.420 nan 0.000 0.217 901 P C 1.855 179.221 177.300 0.110 0.000 1.151 901 P CA 1.699 64.860 63.100 0.101 0.000 0.849 901 P CB 0.214 31.937 31.700 0.037 0.000 0.787 902 G N -0.939 107.942 108.800 0.135 0.000 2.708 902 G HA2 0.008 3.969 3.960 0.002 0.000 0.210 902 G HA3 0.008 3.969 3.960 0.002 0.000 0.210 902 G C 0.457 175.429 174.900 0.120 0.000 1.141 902 G CA 0.062 45.225 45.100 0.105 0.000 0.788 902 G HN 0.213 nan 8.290 nan 0.000 0.531 903 V N 0.490 120.514 119.914 0.184 0.000 2.644 903 V HA 0.224 4.345 4.120 0.002 0.000 0.295 903 V C -0.314 175.826 176.094 0.076 0.000 1.053 903 V CA -1.033 61.384 62.300 0.195 0.000 0.987 903 V CB 1.914 33.972 31.823 0.392 0.000 1.006 903 V HN 0.118 nan 8.190 nan 0.000 0.472 904 D N 4.996 125.398 120.400 0.002 0.000 2.336 904 D HA 0.231 4.872 4.640 0.002 0.000 0.249 904 D C -2.152 173.930 176.300 -0.363 0.000 1.213 904 D CA -2.076 51.850 54.000 -0.123 0.000 0.870 904 D CB 1.494 42.246 40.800 -0.080 0.000 1.076 904 D HN 0.241 nan 8.370 nan 0.000 0.483 905 P HA 0.118 nan 4.420 nan 0.000 0.238 905 P C -0.602 176.240 177.300 -0.764 0.000 1.714 905 P CA -0.410 61.917 63.100 -1.289 0.000 0.908 905 P CB -0.283 31.077 31.700 -0.566 0.000 1.893 906 L N 0.701 121.624 121.223 -0.500 0.000 2.317 906 L HA 0.361 4.702 4.340 0.002 0.000 0.281 906 L C -0.325 176.574 176.870 0.049 0.000 1.024 906 L CA -0.979 53.786 54.840 -0.126 0.000 0.810 906 L CB 0.943 42.953 42.059 -0.082 0.000 1.240 906 L HN -0.044 nan 8.230 nan 0.000 0.427 907 L N 4.045 125.337 121.223 0.114 0.000 2.453 907 L HA 0.773 5.114 4.340 0.002 0.000 0.261 907 L C 0.740 177.678 176.870 0.113 0.000 1.179 907 L CA 0.169 55.105 54.840 0.161 0.000 0.813 907 L CB 0.844 42.993 42.059 0.149 0.000 1.110 907 L HN 0.837 nan 8.230 nan 0.000 0.466 908 G N 0.066 108.933 108.800 0.112 0.000 2.489 908 G HA2 0.289 4.250 3.960 0.002 0.000 0.305 908 G HA3 0.289 4.250 3.960 0.002 0.000 0.305 908 G C -2.677 172.275 174.900 0.086 0.000 1.311 908 G CA -0.365 44.777 45.100 0.069 0.000 0.813 908 G HN 0.303 nan 8.290 nan 0.000 0.480 909 P HA 0.003 nan 4.420 nan 0.000 0.225 909 P C 0.367 177.767 177.300 0.167 0.000 1.148 909 P CA 1.052 64.198 63.100 0.077 0.000 0.779 909 P CB 0.305 31.993 31.700 -0.020 0.000 0.780 910 E N -0.175 120.066 120.200 0.068 0.000 2.166 910 E HA 0.329 4.680 4.350 0.002 0.000 0.275 910 E C -0.514 176.009 176.600 -0.129 0.000 0.941 910 E CA -1.014 55.365 56.400 -0.035 0.000 0.784 910 E CB 0.864 30.517 29.700 -0.078 0.000 1.115 910 E HN -0.147 nan 8.360 nan 0.000 0.399 911 M N 4.558 123.903 119.600 -0.426 0.000 2.217 911 M HA 0.147 4.628 4.480 0.002 0.000 0.352 911 M C 0.059 176.213 176.300 -0.243 0.000 1.376 911 M CA 0.303 55.357 55.300 -0.410 0.000 1.107 911 M CB 0.357 32.501 32.600 -0.761 0.000 1.723 911 M HN 0.583 nan 8.290 nan 0.000 0.461 912 R N 1.421 121.837 120.500 -0.140 0.000 2.487 912 R HA 0.170 4.511 4.340 0.002 0.000 0.272 912 R C 0.268 176.529 176.300 -0.065 0.000 0.928 912 R CA 0.154 56.188 56.100 -0.110 0.000 1.077 912 R CB 0.608 30.853 30.300 -0.092 0.000 1.265 912 R HN 0.817 nan 8.270 nan 0.000 0.537 913 S N -0.724 114.925 115.700 -0.084 0.000 2.585 913 S HA 0.046 4.517 4.470 0.002 0.000 0.273 913 S C 1.176 175.745 174.600 -0.051 0.000 1.339 913 S CA 0.223 58.374 58.200 -0.081 0.000 1.028 913 S CB 1.503 64.662 63.200 -0.069 0.000 0.906 913 S HN 0.298 nan 8.310 nan 0.000 0.528 914 T N -1.005 113.516 114.554 -0.054 0.000 3.000 914 T HA 0.521 4.872 4.350 0.002 0.000 0.248 914 T C 0.834 175.508 174.700 -0.044 0.000 1.034 914 T CA 0.259 62.336 62.100 -0.038 0.000 1.060 914 T CB -0.167 68.675 68.868 -0.043 0.000 0.983 914 T HN 1.133 nan 8.240 nan 0.000 0.482 915 G N 0.549 109.315 108.800 -0.057 0.000 2.682 915 G HA2 0.625 4.586 3.960 0.002 0.000 0.303 915 G HA3 0.625 4.586 3.960 0.002 0.000 0.303 915 G C -2.073 172.780 174.900 -0.079 0.000 1.341 915 G CA -0.726 44.337 45.100 -0.061 0.000 0.784 915 G HN 0.556 nan 8.290 nan 0.000 0.497 916 E N -2.190 117.959 120.200 -0.084 0.000 2.423 916 E HA 0.645 4.996 4.350 0.002 0.000 0.280 916 E C -1.281 175.265 176.600 -0.089 0.000 1.030 916 E CA -1.021 55.315 56.400 -0.106 0.000 0.812 916 E CB 2.122 31.736 29.700 -0.144 0.000 1.313 916 E HN 1.229 nan 8.360 nan 0.000 0.456 917 V N -1.727 118.126 119.914 -0.102 0.000 3.160 917 V HA 0.756 4.877 4.120 0.002 0.000 0.310 917 V C -0.711 175.346 176.094 -0.061 0.000 1.181 917 V CA -1.068 61.189 62.300 -0.071 0.000 1.047 917 V CB 1.967 33.743 31.823 -0.077 0.000 1.068 917 V HN 0.908 nan 8.190 nan 0.000 0.441 918 M N 1.869 121.470 119.600 0.001 0.000 2.395 918 M HA 0.808 5.289 4.480 0.002 0.000 0.307 918 M C -0.329 175.990 176.300 0.032 0.000 1.091 918 M CA -0.297 55.057 55.300 0.089 0.000 0.919 918 M CB 1.963 34.703 32.600 0.234 0.000 1.662 918 M HN 1.182 nan 8.290 nan 0.000 0.440 919 G N 3.391 112.211 108.800 0.034 0.000 2.478 919 G HA2 0.615 4.576 3.960 0.002 0.000 0.317 919 G HA3 0.615 4.576 3.960 0.002 0.000 0.317 919 G C -1.494 173.429 174.900 0.039 0.000 1.259 919 G CA -0.446 44.642 45.100 -0.021 0.000 0.933 919 G HN 0.585 nan 8.290 nan 0.000 0.478 920 V N 1.667 121.581 119.914 -0.000 0.000 2.384 920 V HA 0.896 5.017 4.120 0.002 0.000 0.287 920 V C 0.641 176.743 176.094 0.014 0.000 1.020 920 V CA -0.217 62.084 62.300 0.002 0.000 0.850 920 V CB 0.990 32.726 31.823 -0.145 0.000 0.987 920 V HN 1.041 nan 8.190 nan 0.000 0.436 921 G N 3.363 112.234 108.800 0.118 0.000 2.695 921 G HA2 0.519 4.480 3.960 0.002 0.000 0.290 921 G HA3 0.519 4.480 3.960 0.002 0.000 0.290 921 G C -0.029 175.010 174.900 0.233 0.000 1.410 921 G CA -0.818 44.350 45.100 0.113 0.000 0.844 921 G HN 0.521 nan 8.290 nan 0.000 0.478 922 R N -1.042 119.564 120.500 0.178 0.000 2.115 922 R HA 0.098 4.439 4.340 0.002 0.000 0.226 922 R C 1.202 177.675 176.300 0.288 0.000 1.100 922 R CA 1.580 57.807 56.100 0.211 0.000 0.980 922 R CB -0.131 30.247 30.300 0.129 0.000 0.875 922 R HN 0.639 nan 8.270 nan 0.000 0.445 923 T N -4.086 110.597 114.554 0.214 0.000 2.907 923 T HA 0.221 4.572 4.350 0.002 0.000 0.290 923 T C 0.399 175.034 174.700 -0.110 0.000 1.066 923 T CA -0.907 61.285 62.100 0.152 0.000 1.012 923 T CB 1.233 70.146 68.868 0.075 0.000 1.184 923 T HN 0.027 nan 8.240 nan 0.000 0.522 924 F N 1.368 120.918 119.950 -0.666 0.000 2.186 924 F HA 0.149 4.677 4.527 0.001 0.000 0.299 924 F C 2.482 178.127 175.800 -0.258 0.000 1.090 924 F CA 1.616 59.160 58.000 -0.759 0.000 1.307 924 F CB -0.777 37.708 39.000 -0.858 0.000 1.019 924 F HN 0.733 nan 8.300 nan 0.000 0.489 925 A N 0.078 122.808 122.820 -0.150 0.000 1.933 925 A HA -0.249 4.072 4.320 0.002 0.000 0.218 925 A C 2.237 179.727 177.584 -0.158 0.000 1.175 925 A CA 1.877 53.823 52.037 -0.153 0.000 0.628 925 A CB -1.018 17.978 19.000 -0.008 0.000 0.814 925 A HN 0.609 nan 8.150 nan 0.000 0.444 926 E N -0.204 119.930 120.200 -0.110 0.000 2.047 926 E HA -0.093 4.257 4.350 0.002 0.000 0.191 926 E C 2.180 178.717 176.600 -0.106 0.000 0.987 926 E CA 1.017 57.372 56.400 -0.075 0.000 0.799 926 E CB -0.279 29.410 29.700 -0.018 0.000 0.752 926 E HN 0.519 nan 8.360 nan 0.000 0.449 927 A N 0.663 123.407 122.820 -0.126 0.000 1.883 927 A HA -0.202 4.119 4.320 0.002 0.000 0.217 927 A C 2.056 179.516 177.584 -0.206 0.000 1.186 927 A CA 1.465 53.438 52.037 -0.107 0.000 0.624 927 A CB -1.045 17.942 19.000 -0.022 0.000 0.822 927 A HN 0.512 nan 8.150 nan 0.000 0.444 928 F N 0.789 120.413 119.950 -0.543 0.000 2.161 928 F HA -0.104 4.424 4.527 0.002 0.000 0.300 928 F C 2.518 178.126 175.800 -0.320 0.000 1.089 928 F CA 1.232 58.910 58.000 -0.538 0.000 1.282 928 F CB -0.217 38.228 39.000 -0.925 0.000 1.010 928 F HN 0.252 nan 8.300 nan 0.000 0.485 929 A N -0.287 122.457 122.820 -0.127 0.000 1.930 929 A HA -0.172 4.149 4.320 0.002 0.000 0.217 929 A C 2.188 179.645 177.584 -0.211 0.000 1.175 929 A CA 1.675 53.628 52.037 -0.140 0.000 0.627 929 A CB -0.548 18.396 19.000 -0.093 0.000 0.815 929 A HN 0.412 nan 8.150 nan 0.000 0.443 930 K N -0.318 119.967 120.400 -0.192 0.000 2.062 930 K HA 0.048 4.369 4.320 0.002 0.000 0.205 930 K C 2.284 178.766 176.600 -0.197 0.000 1.051 930 K CA 1.004 57.192 56.287 -0.164 0.000 0.941 930 K CB -0.270 32.161 32.500 -0.114 0.000 0.719 930 K HN 0.421 nan 8.250 nan 0.000 0.440 931 A N 1.076 123.732 122.820 -0.274 0.000 1.877 931 A HA -0.260 4.061 4.320 0.002 0.000 0.216 931 A C 2.122 179.478 177.584 -0.379 0.000 1.186 931 A CA 1.625 53.469 52.037 -0.321 0.000 0.620 931 A CB -0.562 18.187 19.000 -0.418 0.000 0.822 931 A HN 0.369 nan 8.150 nan 0.000 0.443 932 Q N -1.012 118.475 119.800 -0.521 0.000 2.084 932 Q HA -0.152 4.189 4.340 0.002 0.000 0.202 932 Q C 1.973 177.834 176.000 -0.233 0.000 0.978 932 Q CA 1.635 57.187 55.803 -0.419 0.000 0.844 932 Q CB -0.207 28.255 28.738 -0.461 0.000 0.898 932 Q HN 0.557 nan 8.270 nan 0.000 0.426 933 L N -0.000 121.100 121.223 -0.204 0.000 2.072 933 L HA 0.065 4.406 4.340 0.002 0.000 0.205 933 L C 2.139 178.956 176.870 -0.087 0.000 1.079 933 L CA 2.214 56.973 54.840 -0.135 0.000 0.752 933 L CB -0.929 41.037 42.059 -0.155 0.000 0.906 933 L HN 0.262 nan 8.230 nan 0.000 0.436 934 G N -1.195 107.543 108.800 -0.104 0.000 2.475 934 G HA2 -0.326 3.635 3.960 0.002 0.000 0.220 934 G HA3 -0.326 3.635 3.960 0.002 0.000 0.220 934 G C 1.496 176.356 174.900 -0.066 0.000 1.125 934 G CA 0.980 46.037 45.100 -0.072 0.000 0.755 934 G HN 0.582 nan 8.290 nan 0.000 0.565 935 S N -0.463 115.182 115.700 -0.092 0.000 2.701 935 S HA 0.059 4.530 4.470 0.002 0.000 0.220 935 S C 1.023 175.601 174.600 -0.036 0.000 0.954 935 S CA 0.673 58.828 58.200 -0.074 0.000 0.936 935 S CB -0.723 62.415 63.200 -0.104 0.000 0.777 935 S HN 0.565 nan 8.310 nan 0.000 0.518 936 N N 0.452 119.140 118.700 -0.021 0.000 2.776 936 N HA -0.193 4.548 4.740 0.002 0.000 0.250 936 N C -0.321 175.210 175.510 0.035 0.000 1.112 936 N CA 0.605 53.661 53.050 0.011 0.000 0.733 936 N CB -1.556 36.937 38.487 0.011 0.000 1.097 936 N HN 0.600 nan 8.380 nan 0.000 0.558 937 S N -0.170 115.545 115.700 0.024 0.000 2.549 937 S HA 0.158 4.629 4.470 0.002 0.000 0.283 937 S C 1.523 176.169 174.600 0.077 0.000 1.320 937 S CA 0.675 58.926 58.200 0.086 0.000 1.058 937 S CB 1.041 64.232 63.200 -0.014 0.000 0.882 937 S HN 0.308 nan 8.310 nan 0.000 0.498 938 T N 3.011 117.660 114.554 0.159 0.000 3.188 938 T HA 0.205 4.556 4.350 0.002 0.000 0.250 938 T C 0.551 175.314 174.700 0.105 0.000 1.077 938 T CA -0.443 61.735 62.100 0.131 0.000 0.967 938 T CB -0.410 68.557 68.868 0.165 0.000 1.006 938 T HN 0.587 nan 8.240 nan 0.000 0.552 939 M N 3.321 122.925 119.600 0.007 0.000 2.261 939 M HA 0.176 4.657 4.480 0.002 0.000 0.350 939 M C -0.154 176.114 176.300 -0.052 0.000 1.343 939 M CA -0.068 55.185 55.300 -0.079 0.000 1.003 939 M CB 0.128 32.467 32.600 -0.434 0.000 1.848 939 M HN 0.057 nan 8.290 nan 0.000 0.456 940 K N 4.507 124.891 120.400 -0.026 0.000 2.245 940 K HA 0.338 4.659 4.320 0.002 0.000 0.234 940 K C -0.072 176.463 176.600 -0.109 0.000 1.021 940 K CA -0.794 55.401 56.287 -0.155 0.000 0.898 940 K CB 1.014 33.256 32.500 -0.430 0.000 1.163 940 K HN 0.608 nan 8.250 nan 0.000 0.459 941 K N 0.680 120.972 120.400 -0.179 0.000 2.374 941 K HA 0.030 4.351 4.320 0.002 0.000 0.196 941 K C 0.258 176.734 176.600 -0.206 0.000 1.023 941 K CA 0.265 56.529 56.287 -0.038 0.000 1.103 941 K CB 0.212 32.728 32.500 0.026 0.000 0.848 941 K HN 0.586 nan 8.250 nan 0.000 0.528 942 H N -2.857 115.949 119.070 -0.440 0.000 2.942 942 H HA 0.637 5.194 4.556 0.001 0.000 0.316 942 H C 0.143 174.970 175.328 -0.835 0.000 1.323 942 H CA -0.424 55.151 56.048 -0.788 0.000 1.144 942 H CB 1.322 30.879 29.762 -0.342 0.000 1.866 942 H HN 0.093 nan 8.280 nan 0.000 0.545 943 G N 0.383 108.888 108.800 -0.493 0.000 2.337 943 G HA2 -0.040 3.921 3.960 0.002 0.000 0.197 943 G HA3 -0.040 3.921 3.960 0.002 0.000 0.197 943 G C -1.329 173.609 174.900 0.064 0.000 1.238 943 G CA -0.443 44.599 45.100 -0.096 0.000 1.119 943 G HN 0.822 nan 8.290 nan 0.000 0.514 944 R N 0.208 120.895 120.500 0.311 0.000 2.494 944 R HA 0.721 5.062 4.340 0.002 0.000 0.305 944 R C -0.130 176.524 176.300 0.591 0.000 0.959 944 R CA 0.052 56.416 56.100 0.440 0.000 0.864 944 R CB 1.406 31.904 30.300 0.330 0.000 1.159 944 R HN 1.463 nan 8.270 nan 0.000 0.446 945 A N 4.326 127.428 122.820 0.470 0.000 2.337 945 A HA 0.492 4.813 4.320 0.002 0.000 0.329 945 A C -1.483 176.082 177.584 -0.031 0.000 1.146 945 A CA -0.741 51.433 52.037 0.227 0.000 0.800 945 A CB 1.369 20.456 19.000 0.145 0.000 1.220 945 A HN 0.610 nan 8.150 nan 0.000 0.472 946 L N 3.330 124.315 121.223 -0.398 0.000 2.287 946 L HA 0.642 4.983 4.340 0.002 0.000 0.287 946 L C -1.536 175.117 176.870 -0.362 0.000 1.022 946 L CA -0.407 54.098 54.840 -0.559 0.000 0.814 946 L CB 1.011 42.362 42.059 -1.180 0.000 1.217 946 L HN 0.447 nan 8.230 nan 0.000 0.420 947 L N 4.580 125.669 121.223 -0.224 0.000 2.305 947 L HA 0.610 4.951 4.340 0.002 0.000 0.284 947 L C 0.054 176.844 176.870 -0.134 0.000 1.013 947 L CA -0.269 54.468 54.840 -0.172 0.000 0.819 947 L CB 0.896 42.889 42.059 -0.109 0.000 1.227 947 L HN 0.703 nan 8.230 nan 0.000 0.417 948 S N 3.088 118.711 115.700 -0.129 0.000 2.571 948 S HA 0.655 5.126 4.470 0.002 0.000 0.238 948 S C -0.749 173.809 174.600 -0.071 0.000 1.153 948 S CA -0.480 57.667 58.200 -0.089 0.000 1.141 948 S CB 0.510 63.647 63.200 -0.104 0.000 1.133 948 S HN 0.455 nan 8.310 nan 0.000 0.464 949 V N 3.221 123.107 119.914 -0.045 0.000 2.919 949 V HA 0.838 4.958 4.120 0.002 0.000 0.316 949 V C -0.111 175.974 176.094 -0.015 0.000 1.077 949 V CA -1.427 60.856 62.300 -0.029 0.000 0.977 949 V CB 1.467 33.278 31.823 -0.020 0.000 1.039 949 V HN 0.878 nan 8.190 nan 0.000 0.441 950 R N 0.816 121.310 120.500 -0.011 0.000 2.649 950 R HA 0.467 4.808 4.340 0.002 0.000 0.270 950 R C 0.903 177.202 176.300 -0.001 0.000 1.105 950 R CA -0.283 55.808 56.100 -0.014 0.000 1.193 950 R CB 0.195 30.479 30.300 -0.026 0.000 1.120 950 R HN 0.671 nan 8.270 nan 0.000 0.561 951 E N 1.112 121.309 120.200 -0.006 0.000 2.108 951 E HA -0.190 4.161 4.350 0.002 0.000 0.203 951 E C 2.014 178.625 176.600 0.018 0.000 1.022 951 E CA 2.399 58.801 56.400 0.005 0.000 0.823 951 E CB -0.884 28.814 29.700 -0.003 0.000 0.744 951 E HN 0.877 nan 8.360 nan 0.000 0.456 952 G N 0.347 109.160 108.800 0.021 0.000 2.422 952 G HA2 -0.253 3.708 3.960 0.002 0.000 0.218 952 G HA3 -0.253 3.708 3.960 0.002 0.000 0.218 952 G C 1.163 176.092 174.900 0.048 0.000 1.146 952 G CA 1.046 46.170 45.100 0.039 0.000 0.769 952 G HN 0.225 nan 8.290 nan 0.000 0.547 953 D N 0.329 120.757 120.400 0.047 0.000 2.317 953 D HA 0.019 4.660 4.640 0.002 0.000 0.211 953 D C 2.332 178.663 176.300 0.053 0.000 0.966 953 D CA 0.434 54.470 54.000 0.060 0.000 0.876 953 D CB -0.082 40.750 40.800 0.053 0.000 0.927 953 D HN 0.260 nan 8.370 nan 0.000 0.519 954 K N 0.480 120.903 120.400 0.037 0.000 2.173 954 K HA -0.210 4.111 4.320 0.002 0.000 0.207 954 K C 1.907 178.531 176.600 0.040 0.000 1.046 954 K CA 1.132 57.438 56.287 0.032 0.000 0.929 954 K CB 0.059 32.573 32.500 0.024 0.000 0.720 954 K HN 0.085 nan 8.250 nan 0.000 0.453 955 E N 0.169 120.398 120.200 0.049 0.000 2.028 955 E HA -0.055 4.296 4.350 0.002 0.000 0.190 955 E C 1.701 178.347 176.600 0.078 0.000 0.984 955 E CA 1.040 57.471 56.400 0.052 0.000 0.800 955 E CB 0.224 29.951 29.700 0.046 0.000 0.758 955 E HN 0.119 nan 8.360 nan 0.000 0.448 956 R N -0.333 120.234 120.500 0.111 0.000 2.275 956 R HA 0.041 4.382 4.340 0.002 0.000 0.199 956 R C 2.119 178.566 176.300 0.244 0.000 0.989 956 R CA 0.178 56.398 56.100 0.200 0.000 1.016 956 R CB 0.135 30.587 30.300 0.254 0.000 0.918 956 R HN 0.113 nan 8.270 nan 0.000 0.473 957 V N 0.442 120.429 119.914 0.121 0.000 2.626 957 V HA -0.178 3.943 4.120 0.002 0.000 0.252 957 V C 1.958 178.070 176.094 0.031 0.000 1.067 957 V CA 1.412 63.739 62.300 0.045 0.000 1.081 957 V CB 0.058 31.887 31.823 0.011 0.000 0.686 957 V HN 0.080 nan 8.190 nan 0.000 0.468 958 V N 0.585 120.535 119.914 0.059 0.000 2.252 958 V HA -0.278 3.843 4.120 0.002 0.000 0.249 958 V C 2.468 178.600 176.094 0.064 0.000 1.056 958 V CA 2.628 64.957 62.300 0.049 0.000 1.022 958 V CB -0.832 31.020 31.823 0.049 0.000 0.641 958 V HN 0.694 nan 8.190 nan 0.000 0.445 959 D N -0.414 120.063 120.400 0.127 0.000 2.178 959 D HA -0.155 4.486 4.640 0.002 0.000 0.201 959 D C 1.909 178.292 176.300 0.139 0.000 0.980 959 D CA 1.080 55.188 54.000 0.179 0.000 0.842 959 D CB -0.101 40.872 40.800 0.287 0.000 0.948 959 D HN 0.331 nan 8.370 nan 0.000 0.472 960 L N 0.463 121.679 121.223 -0.012 0.000 2.044 960 L HA 0.115 4.456 4.340 0.002 0.000 0.205 960 L C 2.255 179.039 176.870 -0.143 0.000 1.075 960 L CA 1.950 56.605 54.840 -0.307 0.000 0.747 960 L CB -1.098 40.559 42.059 -0.670 0.000 0.903 960 L HN 0.022 nan 8.230 nan 0.000 0.435 961 A N -0.187 122.586 122.820 -0.077 0.000 1.917 961 A HA -0.222 4.099 4.320 0.002 0.000 0.219 961 A C 2.452 180.035 177.584 -0.001 0.000 1.182 961 A CA 2.240 54.257 52.037 -0.035 0.000 0.633 961 A CB -1.285 17.707 19.000 -0.014 0.000 0.819 961 A HN 0.594 nan 8.150 nan 0.000 0.448 962 A N -0.410 122.421 122.820 0.018 0.000 1.930 962 A HA -0.135 4.186 4.320 0.002 0.000 0.217 962 A C 2.086 179.693 177.584 0.038 0.000 1.175 962 A CA 1.714 53.773 52.037 0.036 0.000 0.627 962 A CB -0.406 18.622 19.000 0.046 0.000 0.815 962 A HN 0.577 nan 8.150 nan 0.000 0.443 963 K N -0.321 120.095 120.400 0.027 0.000 2.097 963 K HA -0.024 4.297 4.320 0.002 0.000 0.206 963 K C 1.751 178.358 176.600 0.012 0.000 1.049 963 K CA 1.289 57.590 56.287 0.025 0.000 0.933 963 K CB -0.352 32.158 32.500 0.017 0.000 0.717 963 K HN 0.455 nan 8.250 nan 0.000 0.442 964 L N 0.793 122.001 121.223 -0.026 0.000 2.156 964 L HA -0.126 4.215 4.340 0.002 0.000 0.208 964 L C 2.279 179.238 176.870 0.149 0.000 1.095 964 L CA 0.729 55.555 54.840 -0.023 0.000 0.770 964 L CB -0.286 41.686 42.059 -0.146 0.000 0.914 964 L HN 0.171 nan 8.230 nan 0.000 0.439 965 L N -0.162 121.122 121.223 0.102 0.000 2.005 965 L HA -0.228 4.113 4.340 0.002 0.000 0.207 965 L C 2.669 179.604 176.870 0.108 0.000 1.072 965 L CA 1.344 56.253 54.840 0.114 0.000 0.744 965 L CB -0.487 41.617 42.059 0.074 0.000 0.895 965 L HN 0.238 nan 8.230 nan 0.000 0.433 966 K N 0.080 120.530 120.400 0.083 0.000 2.286 966 K HA -0.278 4.043 4.320 0.002 0.000 0.203 966 K C 2.015 178.669 176.600 0.089 0.000 1.045 966 K CA 1.589 57.919 56.287 0.073 0.000 0.935 966 K CB 0.107 32.641 32.500 0.058 0.000 0.737 966 K HN 0.162 nan 8.250 nan 0.000 0.460 967 Q N -0.940 118.942 119.800 0.136 0.000 2.424 967 Q HA 0.031 4.372 4.340 0.002 0.000 0.204 967 Q C 0.731 176.824 176.000 0.156 0.000 0.933 967 Q CA 1.129 57.033 55.803 0.168 0.000 0.929 967 Q CB 0.646 29.525 28.738 0.235 0.000 1.037 967 Q HN 0.427 nan 8.270 nan 0.000 0.511 968 G N -1.312 107.580 108.800 0.153 0.000 2.192 968 G HA2 -0.208 3.753 3.960 0.002 0.000 0.193 968 G HA3 -0.208 3.753 3.960 0.002 0.000 0.193 968 G C -0.229 174.689 174.900 0.031 0.000 0.999 968 G CA -0.180 44.954 45.100 0.057 0.000 0.659 968 G HN 0.209 nan 8.290 nan 0.000 0.503 969 F N 1.328 121.310 119.950 0.053 0.000 2.370 969 F HA 0.655 5.183 4.527 0.001 0.000 0.324 969 F C 1.036 176.879 175.800 0.071 0.000 1.116 969 F CA -0.269 57.775 58.000 0.073 0.000 1.123 969 F CB 0.890 39.933 39.000 0.072 0.000 1.238 969 F HN 0.072 nan 8.300 nan 0.000 0.536 970 E N 1.048 121.411 120.200 0.272 0.000 2.250 970 E HA 0.646 4.997 4.350 0.002 0.000 0.265 970 E C -1.228 175.509 176.600 0.230 0.000 1.033 970 E CA -0.632 55.885 56.400 0.196 0.000 0.888 970 E CB 1.355 31.138 29.700 0.138 0.000 1.151 970 E HN 0.364 nan 8.360 nan 0.000 0.412 971 L N 1.089 122.408 121.223 0.159 0.000 2.370 971 L HA 0.549 4.890 4.340 0.002 0.000 0.266 971 L C -0.980 175.961 176.870 0.119 0.000 1.002 971 L CA -0.981 53.940 54.840 0.136 0.000 0.818 971 L CB 1.962 44.070 42.059 0.082 0.000 1.325 971 L HN 0.414 nan 8.230 nan 0.000 0.418 972 D N 0.906 121.371 120.400 0.109 0.000 2.433 972 D HA 0.845 5.486 4.640 0.002 0.000 0.236 972 D C -0.980 175.321 176.300 0.002 0.000 1.026 972 D CA -0.094 53.964 54.000 0.098 0.000 0.884 972 D CB 2.416 43.353 40.800 0.229 0.000 1.384 972 D HN 0.729 nan 8.370 nan 0.000 0.477 973 A N 0.410 123.231 122.820 0.002 0.000 2.589 973 A HA 0.674 4.995 4.320 0.002 0.000 0.296 973 A C -0.240 177.336 177.584 -0.013 0.000 1.062 973 A CA -0.800 51.221 52.037 -0.028 0.000 0.686 973 A CB 1.088 20.070 19.000 -0.029 0.000 1.282 973 A HN 0.484 nan 8.150 nan 0.000 0.404 974 T N -1.392 113.152 114.554 -0.016 0.000 2.862 974 T HA 0.445 4.796 4.350 0.002 0.000 0.276 974 T C 1.185 175.916 174.700 0.052 0.000 0.974 974 T CA 0.736 62.846 62.100 0.017 0.000 0.966 974 T CB 0.432 69.303 68.868 0.004 0.000 1.072 974 T HN 0.866 nan 8.240 nan 0.000 0.538 975 H N 1.143 120.208 119.070 -0.009 0.000 2.486 975 H HA -0.242 4.314 4.556 0.001 0.000 0.278 975 H C 2.371 177.701 175.328 0.004 0.000 1.080 975 H CA 2.694 58.744 56.048 0.004 0.000 1.188 975 H CB -0.950 28.821 29.762 0.016 0.000 1.512 975 H HN 0.819 nan 8.280 nan 0.000 0.686 976 G N -2.136 106.828 108.800 0.272 0.000 2.470 976 G HA2 -0.229 3.732 3.960 0.002 0.000 0.220 976 G HA3 -0.229 3.732 3.960 0.002 0.000 0.220 976 G C 1.626 176.554 174.900 0.047 0.000 1.121 976 G CA 1.202 46.401 45.100 0.165 0.000 0.766 976 G HN 0.497 nan 8.290 nan 0.000 0.553 977 T N 1.378 115.947 114.554 0.025 0.000 2.812 977 T HA 0.106 4.457 4.350 0.002 0.000 0.264 977 T C 2.853 177.540 174.700 -0.023 0.000 1.042 977 T CA 1.203 63.301 62.100 -0.003 0.000 1.140 977 T CB -0.282 68.577 68.868 -0.015 0.000 0.870 977 T HN 0.349 nan 8.240 nan 0.000 0.445 978 A N 1.766 124.559 122.820 -0.045 0.000 1.908 978 A HA -0.075 4.246 4.320 0.002 0.000 0.218 978 A C 2.230 179.765 177.584 -0.082 0.000 1.181 978 A CA 1.134 53.129 52.037 -0.070 0.000 0.627 978 A CB -0.713 18.226 19.000 -0.101 0.000 0.818 978 A HN 0.394 nan 8.150 nan 0.000 0.445 979 I N -0.182 120.324 120.570 -0.107 0.000 2.163 979 I HA -0.198 3.973 4.170 0.002 0.000 0.243 979 I C 2.533 178.631 176.117 -0.032 0.000 1.085 979 I CA 1.353 62.603 61.300 -0.082 0.000 1.347 979 I CB -1.283 36.684 38.000 -0.055 0.000 1.044 979 I HN 0.160 nan 8.210 nan 0.000 0.408 980 V N 1.027 120.932 119.914 -0.015 0.000 2.295 980 V HA -0.259 3.862 4.120 0.002 0.000 0.246 980 V C 2.596 178.689 176.094 -0.002 0.000 1.049 980 V CA 1.504 63.803 62.300 -0.000 0.000 1.024 980 V CB -0.502 31.326 31.823 0.008 0.000 0.648 980 V HN 0.327 nan 8.190 nan 0.000 0.447 981 L N 0.116 121.334 121.223 -0.008 0.000 2.056 981 L HA -0.058 4.283 4.340 0.002 0.000 0.207 981 L C 2.681 179.548 176.870 -0.005 0.000 1.078 981 L CA 1.663 56.501 54.840 -0.004 0.000 0.749 981 L CB -1.217 40.837 42.059 -0.008 0.000 0.901 981 L HN 0.471 nan 8.230 nan 0.000 0.433 982 G N -0.206 108.584 108.800 -0.017 0.000 2.491 982 G HA2 -0.283 3.678 3.960 0.002 0.000 0.218 982 G HA3 -0.283 3.678 3.960 0.002 0.000 0.218 982 G C 1.348 176.244 174.900 -0.007 0.000 1.180 982 G CA 0.678 45.768 45.100 -0.017 0.000 0.774 982 G HN 0.414 nan 8.290 nan 0.000 0.562 983 E N 0.394 120.590 120.200 -0.006 0.000 2.401 983 E HA 0.049 4.399 4.350 0.002 0.000 0.199 983 E C 2.353 178.956 176.600 0.006 0.000 1.023 983 E CA 0.473 56.873 56.400 0.001 0.000 0.859 983 E CB -0.039 29.663 29.700 0.003 0.000 0.780 983 E HN 0.470 nan 8.360 nan 0.000 0.523 984 A N -0.566 122.258 122.820 0.007 0.000 2.390 984 A HA 0.408 4.728 4.320 0.002 0.000 0.232 984 A C 1.562 179.154 177.584 0.013 0.000 1.233 984 A CA 0.601 52.646 52.037 0.012 0.000 0.907 984 A CB 0.515 19.524 19.000 0.017 0.000 0.967 984 A HN 0.279 nan 8.150 nan 0.000 0.512 985 G N -0.756 108.049 108.800 0.009 0.000 2.201 985 G HA2 -0.146 3.815 3.960 0.002 0.000 0.212 985 G HA3 -0.146 3.815 3.960 0.002 0.000 0.212 985 G C 0.043 174.950 174.900 0.012 0.000 0.994 985 G CA 0.006 45.113 45.100 0.011 0.000 0.644 985 G HN 0.380 nan 8.290 nan 0.000 0.508 986 I N 1.535 122.112 120.570 0.011 0.000 2.331 986 I HA 0.313 4.483 4.170 0.002 0.000 0.292 986 I C -0.308 175.813 176.117 0.007 0.000 0.998 986 I CA -0.503 60.806 61.300 0.013 0.000 1.267 986 I CB 1.285 39.295 38.000 0.016 0.000 1.386 986 I HN 0.100 nan 8.210 nan 0.000 0.476 987 N N 8.027 126.734 118.700 0.011 0.000 2.626 987 N HA 0.350 5.091 4.740 0.002 0.000 0.242 987 N C -2.468 173.050 175.510 0.013 0.000 1.005 987 N CA -1.260 51.793 53.050 0.005 0.000 0.905 987 N CB 1.349 39.838 38.487 0.003 0.000 1.128 987 N HN 0.413 nan 8.380 nan 0.000 0.512 988 P HA 0.117 nan 4.420 nan 0.000 0.276 988 P C -0.594 176.719 177.300 0.022 0.000 1.252 988 P CA -0.498 62.615 63.100 0.022 0.000 0.802 988 P CB 1.184 32.891 31.700 0.012 0.000 1.035 989 R N 0.997 121.521 120.500 0.041 0.000 2.347 989 R HA 0.245 4.586 4.340 0.002 0.000 0.304 989 R C -0.194 176.127 176.300 0.036 0.000 1.072 989 R CA -0.623 55.501 56.100 0.040 0.000 0.980 989 R CB -0.082 30.253 30.300 0.058 0.000 0.986 989 R HN 0.375 nan 8.270 nan 0.000 0.448 990 L N 5.179 126.414 121.223 0.020 0.000 2.397 990 L HA 0.271 4.612 4.340 0.002 0.000 0.271 990 L C -0.814 176.078 176.870 0.037 0.000 1.148 990 L CA 0.290 55.140 54.840 0.017 0.000 0.825 990 L CB 1.496 43.556 42.059 0.000 0.000 1.117 990 L HN 0.458 nan 8.230 nan 0.000 0.456 991 V N 5.754 125.694 119.914 0.044 0.000 2.735 991 V HA 0.473 4.594 4.120 0.002 0.000 0.310 991 V C -0.289 175.831 176.094 0.043 0.000 1.061 991 V CA -0.737 61.598 62.300 0.058 0.000 0.913 991 V CB 2.179 34.063 31.823 0.102 0.000 1.005 991 V HN 0.955 nan 8.190 nan 0.000 0.428 992 N N 4.140 122.865 118.700 0.041 0.000 2.514 992 N HA 0.318 5.059 4.740 0.002 0.000 0.277 992 N C -0.491 175.015 175.510 -0.007 0.000 1.126 992 N CA -0.409 52.654 53.050 0.020 0.000 0.978 992 N CB 0.923 39.428 38.487 0.030 0.000 1.106 992 N HN 0.613 nan 8.380 nan 0.000 0.461 993 K N 0.745 121.059 120.400 -0.143 0.000 2.120 993 K HA 0.100 4.420 4.320 0.002 0.000 0.245 993 K C 1.020 177.464 176.600 -0.259 0.000 1.024 993 K CA -0.579 55.539 56.287 -0.282 0.000 0.906 993 K CB 0.741 32.903 32.500 -0.564 0.000 1.051 993 K HN 0.236 nan 8.250 nan 0.000 0.491 994 V N 1.403 121.157 119.914 -0.268 0.000 2.380 994 V HA -0.291 3.830 4.120 0.002 0.000 0.251 994 V C 2.064 178.120 176.094 -0.064 0.000 1.063 994 V CA 2.307 64.468 62.300 -0.232 0.000 1.055 994 V CB -1.241 30.391 31.823 -0.319 0.000 0.657 994 V HN 0.814 nan 8.190 nan 0.000 0.455 995 H N 0.057 119.124 119.070 -0.006 0.000 2.403 995 H HA -0.026 4.531 4.556 0.001 0.000 0.298 995 H C 2.009 177.354 175.328 0.027 0.000 1.059 995 H CA 1.402 57.453 56.048 0.006 0.000 1.363 995 H CB -0.645 29.109 29.762 -0.013 0.000 1.410 995 H HN 0.432 nan 8.280 nan 0.000 0.528 996 E N 0.644 120.794 120.200 -0.084 0.000 2.160 996 E HA 0.097 4.448 4.350 0.002 0.000 0.195 996 E C 0.851 177.483 176.600 0.053 0.000 0.991 996 E CA 0.882 57.301 56.400 0.032 0.000 0.810 996 E CB 0.019 29.693 29.700 -0.043 0.000 0.742 996 E HN 0.701 nan 8.360 nan 0.000 0.466 997 G N -0.444 108.392 108.800 0.061 0.000 2.346 997 G HA2 0.032 3.993 3.960 0.002 0.000 0.294 997 G HA3 0.032 3.993 3.960 0.002 0.000 0.294 997 G C -1.470 173.453 174.900 0.038 0.000 1.294 997 G CA -1.025 44.110 45.100 0.058 0.000 0.962 997 G HN -0.003 nan 8.290 nan 0.000 0.508 998 R N 0.079 120.561 120.500 -0.030 0.000 2.778 998 R HA 0.653 4.994 4.340 0.002 0.000 0.277 998 R C -2.352 173.883 176.300 -0.109 0.000 0.977 998 R CA -1.377 54.637 56.100 -0.143 0.000 0.950 998 R CB 1.525 31.705 30.300 -0.200 0.000 1.165 998 R HN 0.414 nan 8.270 nan 0.000 0.474 999 P HA 0.153 nan 4.420 nan 0.000 0.279 999 P C -0.935 176.254 177.300 -0.184 0.000 1.239 999 P CA -0.299 62.646 63.100 -0.259 0.000 0.789 999 P CB 0.631 32.201 31.700 -0.217 0.000 0.933 1000 H N 0.039 119.098 119.070 -0.017 0.000 2.649 1000 H HA 0.415 4.971 4.556 0.001 0.000 0.337 1000 H C 0.967 176.298 175.328 0.005 0.000 1.282 1000 H CA -0.960 55.078 56.048 -0.018 0.000 1.333 1000 H CB 0.930 30.669 29.762 -0.040 0.000 1.787 1000 H HN 0.126 nan 8.280 nan 0.000 0.632 1001 I N -0.180 120.543 120.570 0.255 0.000 2.145 1001 I HA -0.336 3.835 4.170 0.002 0.000 0.244 1001 I C 2.931 179.168 176.117 0.201 0.000 1.075 1001 I CA 1.449 62.865 61.300 0.193 0.000 1.332 1001 I CB -0.408 37.629 38.000 0.061 0.000 1.033 1001 I HN 0.646 nan 8.210 nan 0.000 0.410 1002 Q N 0.866 120.765 119.800 0.165 0.000 2.077 1002 Q HA -0.272 4.069 4.340 0.002 0.000 0.206 1002 Q C 1.796 177.883 176.000 0.146 0.000 0.989 1002 Q CA 2.123 57.988 55.803 0.103 0.000 0.853 1002 Q CB -0.309 28.375 28.738 -0.092 0.000 0.907 1002 Q HN 0.517 nan 8.270 nan 0.000 0.418 1003 D N -0.273 120.315 120.400 0.312 0.000 2.084 1003 D HA -0.148 4.493 4.640 0.002 0.000 0.194 1003 D C 2.119 178.387 176.300 -0.054 0.000 0.990 1003 D CA 0.993 55.024 54.000 0.052 0.000 0.826 1003 D CB -0.112 40.612 40.800 -0.126 0.000 0.971 1003 D HN 0.286 nan 8.370 nan 0.000 0.453 1004 R N 0.455 120.946 120.500 -0.016 0.000 2.083 1004 R HA -0.084 4.257 4.340 0.002 0.000 0.237 1004 R C 2.635 178.826 176.300 -0.182 0.000 1.137 1004 R CA 0.824 56.845 56.100 -0.131 0.000 0.951 1004 R CB -0.386 29.833 30.300 -0.135 0.000 0.851 1004 R HN 0.277 nan 8.270 nan 0.000 0.434 1005 I N 1.068 121.643 120.570 0.008 0.000 2.179 1005 I HA -0.296 3.874 4.170 0.002 0.000 0.242 1005 I C 2.669 178.601 176.117 -0.308 0.000 1.088 1005 I CA 1.347 62.657 61.300 0.017 0.000 1.357 1005 I CB -0.434 37.632 38.000 0.111 0.000 1.051 1005 I HN 0.202 nan 8.210 nan 0.000 0.409 1006 K N 1.660 121.778 120.400 -0.470 0.000 2.103 1006 K HA -0.195 4.126 4.320 0.002 0.000 0.207 1006 K C 1.495 177.769 176.600 -0.544 0.000 1.048 1006 K CA 2.014 57.744 56.287 -0.928 0.000 0.930 1006 K CB -0.138 32.041 32.500 -0.535 0.000 0.716 1006 K HN 0.426 nan 8.250 nan 0.000 0.444 1007 N N -0.903 117.616 118.700 -0.302 0.000 2.494 1007 N HA 0.036 4.777 4.740 0.002 0.000 0.182 1007 N C 0.638 176.048 175.510 -0.166 0.000 1.076 1007 N CA 0.575 53.504 53.050 -0.201 0.000 0.908 1007 N CB 0.589 38.982 38.487 -0.158 0.000 0.967 1007 N HN 0.400 nan 8.380 nan 0.000 0.449 1008 G N 0.995 109.689 108.800 -0.176 0.000 2.131 1008 G HA2 -0.271 3.690 3.960 0.002 0.000 0.223 1008 G HA3 -0.271 3.690 3.960 0.002 0.000 0.223 1008 G C 0.570 175.385 174.900 -0.142 0.000 0.990 1008 G CA 0.085 45.129 45.100 -0.093 0.000 0.671 1008 G HN 0.435 nan 8.290 nan 0.000 0.521 1009 E N -1.150 118.859 120.200 -0.318 0.000 2.338 1009 E HA 0.011 4.362 4.350 0.002 0.000 0.197 1009 E C 0.269 176.599 176.600 -0.450 0.000 1.007 1009 E CA 0.774 56.894 56.400 -0.466 0.000 0.849 1009 E CB 0.079 29.377 29.700 -0.670 0.000 0.774 1009 E HN 0.704 nan 8.360 nan 0.000 0.506 1010 Y N -0.280 120.060 120.300 0.066 0.000 2.509 1010 Y HA 0.210 4.761 4.550 0.001 0.000 0.341 1010 Y C 1.338 177.328 175.900 0.150 0.000 1.038 1010 Y CA -0.785 57.383 58.100 0.113 0.000 1.089 1010 Y CB 1.714 40.230 38.460 0.092 0.000 1.241 1010 Y HN -0.152 nan 8.280 nan 0.000 0.468 1011 T N -3.081 111.726 114.554 0.422 0.000 3.004 1011 T HA 0.254 4.605 4.350 0.002 0.000 0.266 1011 T C -0.848 174.130 174.700 0.464 0.000 0.986 1011 T CA 0.004 62.313 62.100 0.348 0.000 0.902 1011 T CB -0.096 68.903 68.868 0.217 0.000 1.118 1011 T HN 0.479 nan 8.240 nan 0.000 0.522 1012 Y N 0.367 120.833 120.300 0.276 0.000 2.482 1012 Y HA 0.682 5.233 4.550 0.002 0.000 0.334 1012 Y C -2.294 173.634 175.900 0.046 0.000 1.091 1012 Y CA -2.574 55.620 58.100 0.156 0.000 1.027 1012 Y CB 1.496 39.958 38.460 0.005 0.000 1.306 1012 Y HN 0.176 nan 8.280 nan 0.000 0.446 1013 I N 7.056 127.216 120.570 -0.684 0.000 2.533 1013 I HA 0.442 4.613 4.170 0.002 0.000 0.290 1013 I C -1.421 174.203 176.117 -0.821 0.000 1.056 1013 I CA -0.908 60.009 61.300 -0.639 0.000 1.057 1013 I CB 2.178 39.993 38.000 -0.308 0.000 1.240 1013 I HN 0.560 nan 8.210 nan 0.000 0.423 1014 I N 7.162 127.348 120.570 -0.641 0.000 2.411 1014 I HA 0.407 4.578 4.170 0.002 0.000 0.284 1014 I C -1.065 174.918 176.117 -0.223 0.000 1.012 1014 I CA 0.155 61.214 61.300 -0.401 0.000 1.119 1014 I CB 0.892 38.693 38.000 -0.330 0.000 1.261 1014 I HN 0.598 nan 8.210 nan 0.000 0.448 1015 N N 5.408 124.027 118.700 -0.135 0.000 2.519 1015 N HA 0.416 5.157 4.740 0.002 0.000 0.286 1015 N C -1.274 174.208 175.510 -0.046 0.000 1.079 1015 N CA -0.281 52.708 53.050 -0.102 0.000 0.878 1015 N CB 1.300 39.707 38.487 -0.133 0.000 1.375 1015 N HN 0.661 nan 8.380 nan 0.000 0.514 1016 T N 0.282 114.815 114.554 -0.036 0.000 2.885 1016 T HA 0.585 4.935 4.350 0.002 0.000 0.285 1016 T C -0.241 174.448 174.700 -0.018 0.000 1.019 1016 T CA -0.452 61.644 62.100 -0.006 0.000 1.010 1016 T CB 2.128 71.006 68.868 0.017 0.000 1.022 1016 T HN 0.364 nan 8.240 nan 0.000 0.466 1017 T N 0.258 114.805 114.554 -0.012 0.000 2.816 1017 T HA 0.692 5.043 4.350 0.002 0.000 0.299 1017 T C -1.572 173.098 174.700 -0.049 0.000 1.230 1017 T CA -0.563 61.516 62.100 -0.036 0.000 1.007 1017 T CB 1.772 70.614 68.868 -0.043 0.000 1.289 1017 T HN 0.840 nan 8.240 nan 0.000 0.508 1018 S N 0.258 115.890 115.700 -0.112 0.000 2.652 1018 S HA 0.676 5.147 4.470 0.002 0.000 0.273 1018 S C -0.547 173.841 174.600 -0.353 0.000 1.172 1018 S CA 0.359 58.414 58.200 -0.241 0.000 1.009 1018 S CB 0.652 63.671 63.200 -0.302 0.000 1.094 1018 S HN 1.852 nan 8.310 nan 0.000 0.471 1019 G N 3.392 111.997 108.800 -0.326 0.000 3.444 1019 G HA2 -0.064 3.897 3.960 0.002 0.000 0.685 1019 G HA3 -0.064 3.897 3.960 0.002 0.000 0.685 1019 G C 0.062 174.927 174.900 -0.059 0.000 1.145 1019 G CA -0.116 44.860 45.100 -0.206 0.000 0.973 1019 G HN 0.704 nan 8.290 nan 0.000 0.525 1020 R N 0.902 121.411 120.500 0.015 0.000 2.224 1020 R HA -0.219 4.122 4.340 0.002 0.000 0.255 1020 R C 2.706 179.003 176.300 -0.004 0.000 1.130 1020 R CA 2.895 59.007 56.100 0.020 0.000 0.957 1020 R CB -0.316 30.010 30.300 0.043 0.000 0.907 1020 R HN 0.660 nan 8.270 nan 0.000 0.446 1021 R N -1.049 119.443 120.500 -0.013 0.000 2.062 1021 R HA -0.049 4.292 4.340 0.002 0.000 0.231 1021 R C 2.130 178.411 176.300 -0.032 0.000 1.136 1021 R CA 1.494 57.581 56.100 -0.022 0.000 0.948 1021 R CB -0.517 29.768 30.300 -0.024 0.000 0.845 1021 R HN 0.375 nan 8.270 nan 0.000 0.430 1022 A N 1.176 123.967 122.820 -0.047 0.000 1.917 1022 A HA -0.189 4.132 4.320 0.002 0.000 0.219 1022 A C 2.202 179.761 177.584 -0.043 0.000 1.182 1022 A CA 1.458 53.464 52.037 -0.051 0.000 0.633 1022 A CB -0.590 18.364 19.000 -0.077 0.000 0.819 1022 A HN 0.293 nan 8.150 nan 0.000 0.448 1023 I N -0.518 120.027 120.570 -0.041 0.000 2.226 1023 I HA -0.278 3.893 4.170 0.002 0.000 0.245 1023 I C 2.510 178.607 176.117 -0.033 0.000 1.100 1023 I CA 1.718 62.997 61.300 -0.035 0.000 1.374 1023 I CB -0.389 37.598 38.000 -0.023 0.000 1.057 1023 I HN 0.455 nan 8.210 nan 0.000 0.413 1024 E N 0.717 120.902 120.200 -0.025 0.000 2.077 1024 E HA -0.230 4.121 4.350 0.002 0.000 0.193 1024 E C 1.714 178.299 176.600 -0.025 0.000 0.989 1024 E CA 1.515 57.902 56.400 -0.022 0.000 0.800 1024 E CB -0.134 29.558 29.700 -0.015 0.000 0.746 1024 E HN 0.534 nan 8.360 nan 0.000 0.452 1025 D N 0.703 121.091 120.400 -0.021 0.000 2.084 1025 D HA -0.129 4.512 4.640 0.002 0.000 0.194 1025 D C 2.068 178.354 176.300 -0.023 0.000 0.990 1025 D CA 1.593 55.586 54.000 -0.011 0.000 0.826 1025 D CB -0.547 40.258 40.800 0.008 0.000 0.971 1025 D HN 0.149 nan 8.370 nan 0.000 0.453 1026 S N 0.829 116.507 115.700 -0.035 0.000 2.595 1026 S HA -0.119 4.352 4.470 0.002 0.000 0.235 1026 S C 1.738 176.289 174.600 -0.081 0.000 0.974 1026 S CA 0.179 58.344 58.200 -0.058 0.000 0.942 1026 S CB -0.335 62.828 63.200 -0.062 0.000 0.766 1026 S HN 0.224 nan 8.310 nan 0.000 0.536 1027 R N 1.400 121.858 120.500 -0.069 0.000 2.139 1027 R HA -0.115 4.226 4.340 0.002 0.000 0.243 1027 R C 2.091 178.331 176.300 -0.100 0.000 1.145 1027 R CA 1.667 57.717 56.100 -0.083 0.000 0.976 1027 R CB -0.731 29.533 30.300 -0.060 0.000 0.866 1027 R HN 0.444 nan 8.270 nan 0.000 0.449 1028 V N 0.763 120.623 119.914 -0.089 0.000 2.594 1028 V HA -0.179 3.942 4.120 0.002 0.000 0.253 1028 V C 1.991 178.022 176.094 -0.105 0.000 1.069 1028 V CA 1.643 63.889 62.300 -0.089 0.000 1.082 1028 V CB -0.199 31.571 31.823 -0.088 0.000 0.680 1028 V HN 0.324 nan 8.190 nan 0.000 0.469 1029 I N 0.413 120.902 120.570 -0.135 0.000 2.133 1029 I HA -0.187 3.984 4.170 0.002 0.000 0.238 1029 I C 2.832 178.786 176.117 -0.273 0.000 1.074 1029 I CA 2.205 63.403 61.300 -0.170 0.000 1.342 1029 I CB -0.569 37.324 38.000 -0.178 0.000 1.053 1029 I HN 0.219 nan 8.210 nan 0.000 0.404 1030 R N 0.481 120.764 120.500 -0.361 0.000 2.091 1030 R HA -0.131 4.210 4.340 0.002 0.000 0.238 1030 R C 2.440 178.476 176.300 -0.440 0.000 1.136 1030 R CA 1.228 56.956 56.100 -0.621 0.000 0.959 1030 R CB -0.551 29.461 30.300 -0.481 0.000 0.856 1030 R HN 0.346 nan 8.270 nan 0.000 0.437 1031 R N 0.566 120.925 120.500 -0.237 0.000 2.083 1031 R HA -0.095 4.246 4.340 0.002 0.000 0.237 1031 R C 2.481 178.724 176.300 -0.095 0.000 1.137 1031 R CA 1.988 58.007 56.100 -0.136 0.000 0.951 1031 R CB -0.355 29.895 30.300 -0.083 0.000 0.851 1031 R HN 0.203 nan 8.270 nan 0.000 0.434 1032 S N 0.887 116.557 115.700 -0.050 0.000 2.368 1032 S HA -0.099 4.372 4.470 0.002 0.000 0.224 1032 S C 2.159 176.840 174.600 0.134 0.000 1.029 1032 S CA 1.064 59.335 58.200 0.118 0.000 0.988 1032 S CB -0.232 63.088 63.200 0.200 0.000 0.838 1032 S HN 0.466 nan 8.310 nan 0.000 0.462 1033 A N 1.544 124.329 122.820 -0.059 0.000 1.917 1033 A HA -0.107 4.214 4.320 0.002 0.000 0.219 1033 A C 2.176 179.798 177.584 0.063 0.000 1.182 1033 A CA 1.627 53.634 52.037 -0.050 0.000 0.633 1033 A CB -0.748 18.013 19.000 -0.399 0.000 0.819 1033 A HN 0.424 nan 8.150 nan 0.000 0.448 1034 L N -0.594 120.619 121.223 -0.017 0.000 2.044 1034 L HA -0.154 4.187 4.340 0.002 0.000 0.205 1034 L C 2.600 179.489 176.870 0.031 0.000 1.075 1034 L CA 2.508 57.428 54.840 0.133 0.000 0.747 1034 L CB -0.577 41.565 42.059 0.138 0.000 0.903 1034 L HN 0.593 nan 8.230 nan 0.000 0.435 1035 Q N -1.284 118.464 119.800 -0.086 0.000 2.096 1035 Q HA -0.260 4.081 4.340 0.002 0.000 0.204 1035 Q C 1.642 177.406 176.000 -0.392 0.000 0.982 1035 Q CA 2.196 57.825 55.803 -0.291 0.000 0.850 1035 Q CB -0.265 28.175 28.738 -0.496 0.000 0.901 1035 Q HN 0.670 nan 8.270 nan 0.000 0.422 1036 Y N 0.466 120.795 120.300 0.048 0.000 2.490 1036 Y HA 0.102 4.653 4.550 0.002 0.000 0.281 1036 Y C 0.158 176.111 175.900 0.087 0.000 1.174 1036 Y CA 0.300 58.438 58.100 0.062 0.000 1.295 1036 Y CB 0.574 39.069 38.460 0.058 0.000 1.062 1036 Y HN 0.011 nan 8.280 nan 0.000 0.522 1037 K N -1.336 119.169 120.400 0.175 0.000 3.230 1037 K HA -0.150 4.171 4.320 0.002 0.000 0.285 1037 K C -0.651 176.079 176.600 0.217 0.000 1.196 1037 K CA 0.388 56.779 56.287 0.173 0.000 0.838 1037 K CB -2.511 30.073 32.500 0.140 0.000 1.262 1037 K HN 0.141 nan 8.250 nan 0.000 0.492 1038 V N 1.540 121.608 119.914 0.256 0.000 2.432 1038 V HA 0.126 4.247 4.120 0.002 0.000 0.275 1038 V C 0.827 177.121 176.094 0.334 0.000 1.043 1038 V CA -0.681 61.789 62.300 0.283 0.000 0.925 1038 V CB 1.155 33.141 31.823 0.272 0.000 0.985 1038 V HN 0.353 nan 8.190 nan 0.000 0.466 1039 H N 5.134 124.353 119.070 0.249 0.000 2.928 1039 H HA 0.336 4.892 4.556 0.001 0.000 0.338 1039 H C -0.704 174.802 175.328 0.297 0.000 1.047 1039 H CA 0.308 56.497 56.048 0.235 0.000 1.435 1039 H CB 0.306 30.192 29.762 0.206 0.000 1.428 1039 H HN 0.668 nan 8.280 nan 0.000 0.590 1040 Y N 1.487 121.447 120.300 -0.566 0.000 2.544 1040 Y HA 0.441 4.992 4.550 0.002 0.000 0.342 1040 Y C -1.692 173.984 175.900 -0.372 0.000 1.062 1040 Y CA -1.421 56.450 58.100 -0.382 0.000 1.023 1040 Y CB 1.274 39.585 38.460 -0.248 0.000 1.308 1040 Y HN 0.468 nan 8.280 nan 0.000 0.457 1041 D N 1.355 121.703 120.400 -0.086 0.000 2.342 1041 D HA 0.353 4.994 4.640 0.002 0.000 0.243 1041 D C 0.273 176.616 176.300 0.071 0.000 1.019 1041 D CA -0.278 53.727 54.000 0.008 0.000 0.864 1041 D CB 2.205 43.108 40.800 0.172 0.000 1.315 1041 D HN 0.807 nan 8.370 nan 0.000 0.468 1042 T N -3.110 111.494 114.554 0.085 0.000 3.084 1042 T HA 0.182 4.533 4.350 0.002 0.000 0.270 1042 T C 0.537 175.286 174.700 0.081 0.000 1.008 1042 T CA -0.205 61.950 62.100 0.093 0.000 0.900 1042 T CB -0.042 68.897 68.868 0.118 0.000 1.084 1042 T HN 0.395 nan 8.240 nan 0.000 0.538 1043 T N -0.707 113.904 114.554 0.096 0.000 2.900 1043 T HA 0.637 4.988 4.350 0.002 0.000 0.295 1043 T C 0.571 175.345 174.700 0.123 0.000 1.044 1043 T CA -0.876 61.294 62.100 0.115 0.000 0.995 1043 T CB 1.860 70.813 68.868 0.140 0.000 1.072 1043 T HN -0.082 nan 8.240 nan 0.000 0.473 1044 L N 2.113 123.419 121.223 0.138 0.000 2.093 1044 L HA 0.109 4.450 4.340 0.002 0.000 0.208 1044 L C 2.147 179.193 176.870 0.294 0.000 1.085 1044 L CA 1.604 56.548 54.840 0.172 0.000 0.755 1044 L CB -0.963 41.221 42.059 0.208 0.000 0.904 1044 L HN 0.700 nan 8.230 nan 0.000 0.435 1045 N N -0.230 118.629 118.700 0.264 0.000 2.166 1045 N HA -0.128 4.613 4.740 0.002 0.000 0.186 1045 N C 1.787 177.439 175.510 0.237 0.000 1.019 1045 N CA 1.380 54.594 53.050 0.274 0.000 0.856 1045 N CB -0.741 37.872 38.487 0.210 0.000 0.993 1045 N HN 0.457 nan 8.380 nan 0.000 0.426 1046 G N -0.111 108.809 108.800 0.200 0.000 2.408 1046 G HA2 -0.117 3.843 3.960 0.002 0.000 0.217 1046 G HA3 -0.117 3.843 3.960 0.002 0.000 0.217 1046 G C 1.619 176.617 174.900 0.162 0.000 1.150 1046 G CA 0.934 46.149 45.100 0.191 0.000 0.776 1046 G HN 0.422 nan 8.290 nan 0.000 0.542 1047 G N 0.553 109.441 108.800 0.147 0.000 2.440 1047 G HA2 -0.177 3.784 3.960 0.002 0.000 0.218 1047 G HA3 -0.177 3.784 3.960 0.002 0.000 0.218 1047 G C 1.588 176.449 174.900 -0.065 0.000 1.154 1047 G CA 0.746 45.897 45.100 0.085 0.000 0.767 1047 G HN 0.338 nan 8.290 nan 0.000 0.552 1048 F N 1.693 121.654 119.950 0.018 0.000 2.171 1048 F HA 0.074 4.602 4.527 0.001 0.000 0.300 1048 F C 3.013 178.752 175.800 -0.101 0.000 1.090 1048 F CA 0.936 58.920 58.000 -0.025 0.000 1.293 1048 F CB -0.277 38.721 39.000 -0.003 0.000 1.013 1048 F HN 0.241 nan 8.300 nan 0.000 0.486 1049 A N -0.782 122.026 122.820 -0.020 0.000 1.930 1049 A HA -0.158 4.163 4.320 0.002 0.000 0.217 1049 A C 2.237 179.509 177.584 -0.521 0.000 1.175 1049 A CA 2.169 53.934 52.037 -0.454 0.000 0.627 1049 A CB -1.233 17.208 19.000 -0.931 0.000 0.815 1049 A HN 0.324 nan 8.150 nan 0.000 0.443 1050 T N 0.077 114.518 114.554 -0.189 0.000 2.821 1050 T HA 0.027 4.378 4.350 0.002 0.000 0.267 1050 T C 2.215 176.815 174.700 -0.167 0.000 1.046 1050 T CA 1.409 63.474 62.100 -0.058 0.000 1.139 1050 T CB -0.359 68.469 68.868 -0.067 0.000 0.871 1050 T HN 0.583 nan 8.240 nan 0.000 0.454 1051 A N 1.548 124.264 122.820 -0.174 0.000 1.877 1051 A HA -0.059 4.262 4.320 0.002 0.000 0.216 1051 A C 2.333 179.880 177.584 -0.061 0.000 1.186 1051 A CA 1.530 53.475 52.037 -0.153 0.000 0.620 1051 A CB -0.699 18.221 19.000 -0.133 0.000 0.822 1051 A HN 0.448 nan 8.150 nan 0.000 0.443 1052 M N -0.374 119.214 119.600 -0.020 0.000 2.106 1052 M HA -0.213 4.268 4.480 0.002 0.000 0.259 1052 M C 2.419 178.712 176.300 -0.012 0.000 1.068 1052 M CA 1.642 56.950 55.300 0.012 0.000 1.100 1052 M CB -0.496 32.146 32.600 0.070 0.000 1.351 1052 M HN 0.475 nan 8.290 nan 0.000 0.404 1053 A N 0.108 122.911 122.820 -0.028 0.000 2.125 1053 A HA -0.061 4.260 4.320 0.002 0.000 0.219 1053 A C 2.053 179.622 177.584 -0.025 0.000 1.156 1053 A CA 0.996 53.033 52.037 -0.000 0.000 0.671 1053 A CB -0.879 18.191 19.000 0.117 0.000 0.794 1053 A HN 0.475 nan 8.150 nan 0.000 0.459 1054 L N -0.733 120.469 121.223 -0.035 0.000 2.265 1054 L HA -0.190 4.151 4.340 0.002 0.000 0.215 1054 L C 1.641 178.510 176.870 -0.002 0.000 1.117 1054 L CA 1.311 56.140 54.840 -0.020 0.000 0.782 1054 L CB -0.446 41.610 42.059 -0.005 0.000 0.914 1054 L HN 0.496 nan 8.230 nan 0.000 0.441 1055 N N -0.619 118.081 118.700 -0.001 0.000 2.461 1055 N HA 0.121 4.862 4.740 0.002 0.000 0.188 1055 N C 0.333 175.841 175.510 -0.004 0.000 1.134 1055 N CA 0.066 53.120 53.050 0.006 0.000 0.878 1055 N CB 0.318 38.815 38.487 0.018 0.000 0.972 1055 N HN 0.245 nan 8.380 nan 0.000 0.456 1056 A N 0.250 123.059 122.820 -0.018 0.000 2.309 1056 A HA 0.519 4.840 4.320 0.002 0.000 0.317 1056 A C -1.178 176.380 177.584 -0.043 0.000 1.134 1056 A CA -0.484 51.536 52.037 -0.029 0.000 0.866 1056 A CB 1.080 20.057 19.000 -0.039 0.000 1.329 1056 A HN 0.058 nan 8.150 nan 0.000 0.477 1057 D N -0.722 119.647 120.400 -0.052 0.000 2.358 1057 D HA 0.517 5.158 4.640 0.002 0.000 0.253 1057 D C 0.676 176.922 176.300 -0.090 0.000 1.288 1057 D CA 0.221 54.178 54.000 -0.073 0.000 0.950 1057 D CB 1.186 41.950 40.800 -0.060 0.000 1.197 1057 D HN 0.515 nan 8.370 nan 0.000 0.550 1058 A N 2.501 125.250 122.820 -0.118 0.000 2.076 1058 A HA -0.137 4.184 4.320 0.002 0.000 0.220 1058 A C 1.852 179.352 177.584 -0.140 0.000 1.160 1058 A CA 2.146 54.104 52.037 -0.131 0.000 0.653 1058 A CB -0.550 18.352 19.000 -0.162 0.000 0.801 1058 A HN 0.605 nan 8.150 nan 0.000 0.455 1059 T N -3.355 111.100 114.554 -0.164 0.000 3.081 1059 T HA 0.101 4.452 4.350 0.002 0.000 0.250 1059 T C 1.483 176.110 174.700 -0.122 0.000 1.100 1059 T CA 0.817 62.812 62.100 -0.174 0.000 1.038 1059 T CB 0.034 68.753 68.868 -0.248 0.000 0.962 1059 T HN 0.595 nan 8.240 nan 0.000 0.516 1060 E N 1.586 121.730 120.200 -0.093 0.000 2.038 1060 E HA -0.110 4.241 4.350 0.002 0.000 0.195 1060 E C 0.738 177.309 176.600 -0.048 0.000 1.000 1060 E CA 0.842 57.204 56.400 -0.063 0.000 0.803 1060 E CB 0.159 29.831 29.700 -0.046 0.000 0.750 1060 E HN 0.508 nan 8.360 nan 0.000 0.448 1061 K N 0.107 120.482 120.400 -0.042 0.000 2.464 1061 K HA 0.326 4.647 4.320 0.002 0.000 0.253 1061 K C -1.195 175.397 176.600 -0.014 0.000 0.933 1061 K CA -0.653 55.620 56.287 -0.023 0.000 0.801 1061 K CB 2.265 34.759 32.500 -0.010 0.000 1.271 1061 K HN 0.049 nan 8.250 nan 0.000 0.430 1062 V N 1.452 121.376 119.914 0.016 0.000 2.864 1062 V HA 0.747 4.868 4.120 0.002 0.000 0.314 1062 V C -0.691 175.480 176.094 0.127 0.000 1.073 1062 V CA -0.870 61.480 62.300 0.084 0.000 0.956 1062 V CB 1.681 33.566 31.823 0.103 0.000 1.023 1062 V HN 0.865 nan 8.190 nan 0.000 0.435 1063 I N 2.832 123.455 120.570 0.089 0.000 2.722 1063 I HA 0.649 4.820 4.170 0.002 0.000 0.295 1063 I C 0.170 176.034 176.117 -0.420 0.000 1.161 1063 I CA -0.257 60.987 61.300 -0.093 0.000 1.032 1063 I CB 2.526 40.437 38.000 -0.148 0.000 1.244 1063 I HN 1.127 nan 8.210 nan 0.000 0.421 1064 S N 4.806 120.115 115.700 -0.651 0.000 2.632 1064 S HA 0.287 4.757 4.470 0.002 0.000 0.271 1064 S C 0.895 175.175 174.600 -0.533 0.000 1.260 1064 S CA -0.610 57.046 58.200 -0.908 0.000 1.010 1064 S CB 1.840 64.519 63.200 -0.869 0.000 0.965 1064 S HN 0.485 nan 8.310 nan 0.000 0.534 1065 V N 2.251 121.864 119.914 -0.502 0.000 2.427 1065 V HA -0.154 3.967 4.120 0.002 0.000 0.248 1065 V C 2.665 178.433 176.094 -0.543 0.000 1.051 1065 V CA 2.034 64.020 62.300 -0.524 0.000 1.048 1065 V CB -1.264 30.288 31.823 -0.451 0.000 0.666 1065 V HN 0.847 nan 8.190 nan 0.000 0.456 1066 Q N 0.123 119.719 119.800 -0.340 0.000 2.084 1066 Q HA -0.206 4.135 4.340 0.002 0.000 0.202 1066 Q C 2.190 178.117 176.000 -0.122 0.000 0.978 1066 Q CA 1.879 57.572 55.803 -0.184 0.000 0.844 1066 Q CB -0.307 28.359 28.738 -0.119 0.000 0.898 1066 Q HN 0.681 nan 8.270 nan 0.000 0.426 1067 E N -0.176 119.926 120.200 -0.164 0.000 2.072 1067 E HA -0.144 4.207 4.350 0.002 0.000 0.191 1067 E C 1.973 178.529 176.600 -0.072 0.000 0.985 1067 E CA 0.956 57.293 56.400 -0.105 0.000 0.801 1067 E CB -0.107 29.510 29.700 -0.138 0.000 0.750 1067 E HN 0.332 nan 8.360 nan 0.000 0.452 1068 M N -0.045 119.452 119.600 -0.173 0.000 2.082 1068 M HA -0.238 4.243 4.480 0.002 0.000 0.258 1068 M C 2.085 178.515 176.300 0.217 0.000 1.071 1068 M CA 1.806 57.023 55.300 -0.139 0.000 1.103 1068 M CB -0.466 31.922 32.600 -0.355 0.000 1.307 1068 M HN 0.278 nan 8.290 nan 0.000 0.409 1069 H N -1.122 117.963 119.070 0.026 0.000 2.421 1069 H HA -0.068 4.489 4.556 0.001 0.000 0.298 1069 H C 2.036 177.389 175.328 0.042 0.000 1.087 1069 H CA 0.701 56.780 56.048 0.052 0.000 1.330 1069 H CB -0.040 29.733 29.762 0.018 0.000 1.388 1069 H HN 0.484 nan 8.280 nan 0.000 0.526 1070 A N 0.969 123.873 122.820 0.140 0.000 2.014 1070 A HA -0.137 4.184 4.320 0.002 0.000 0.218 1070 A C 2.081 179.714 177.584 0.082 0.000 1.163 1070 A CA 0.859 52.946 52.037 0.082 0.000 0.652 1070 A CB -0.155 18.872 19.000 0.044 0.000 0.808 1070 A HN 0.432 nan 8.150 nan 0.000 0.449 1071 Q N -0.536 119.335 119.800 0.118 0.000 2.436 1071 Q HA 0.099 4.440 4.340 0.002 0.000 0.209 1071 Q C -0.272 175.780 176.000 0.087 0.000 0.965 1071 Q CA 0.149 56.021 55.803 0.116 0.000 0.910 1071 Q CB -0.137 28.717 28.738 0.192 0.000 0.980 1071 Q HN 0.647 nan 8.270 nan 0.000 0.491 1072 I N 1.979 122.601 120.570 0.086 0.000 2.379 1072 I HA 0.023 4.194 4.170 0.002 0.000 0.290 1072 I C 0.135 176.251 176.117 -0.003 0.000 1.063 1072 I CA -0.108 61.202 61.300 0.017 0.000 1.351 1072 I CB 0.551 38.547 38.000 -0.005 0.000 1.410 1072 I HN -0.145 nan 8.210 nan 0.000 0.505 1073 K N 0.000 120.387 120.400 -0.022 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1073 K CA 0.000 56.275 56.287 -0.020 0.000 0.838 1073 K CB 0.000 32.490 32.500 -0.016 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543