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 3ozx_1_B DATA FIRST_RESID 76 DATA SEQUENCE EGEVIHRYKV NGFKLFGLPT PKNNTILGVL GKNGVGKTTV LKILAGEIIP DATA SEQUENCE NFGDPNSKVG KDEVLKRFRG KEIYNYFKEL YSNELKIVHK IQYVEYASKF DATA SEQUENCE LKGTVNEILT KIDERGKKDE VKELLNMTNL WNKDANILSG GGLQRLLVAA DATA SEQUENCE SLLREADVYI FDQPSSYLDV RERMNMAKAI RELLKNKYVI VVDHDLIVLD DATA SEQUENCE YLTDLIHIIY GESSVYGRVS KSYAARVGIN NFLKGYLPAE NMKIRPDEIK DATA SEQUENCE FMLKXXXXXX XXXXLKTKMK WTKIIKKLGD FQLVVDNGEA KEGEIIGILG DATA SEQUENCE PNGIGKTTFA RILVGEITAD EGSVTPEKQI LSYKPQRIFP NYDGTVQQYL DATA SEQUENCE ENASKDALST SSWFFEEVTK RLNLHRLLES NVNDLSGGEL QKLYIAATLA DATA SEQUENCE KEADLYVLDQ PSSYLDVEER YIVAKAIKRV TRERKAVTFI IDHDLSIHDY DATA SEQUENCE IADRIIVFKG EPEKAGLATS PVTLKTGMNE FLRELEVTFR RDAETGRPRV DATA SEQUENCE NKIGSYLDRV QKERGDYYSM VLSTQ 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 76 E HA 0.000 nan 4.350 nan 0.000 0.291 76 E C 0.000 176.478 176.600 -0.203 0.000 1.382 76 E CA 0.000 56.132 56.400 -0.446 0.000 0.976 76 E CB 0.000 29.558 29.700 -0.237 0.000 0.812 77 G N 1.703 110.361 108.800 -0.237 0.000 3.086 77 G HA2 0.214 4.173 3.960 -0.001 0.000 0.159 77 G HA3 0.214 4.173 3.960 -0.001 0.000 0.159 77 G C -0.052 175.027 174.900 0.298 0.000 1.654 77 G CA -0.308 44.827 45.100 0.059 0.000 1.078 77 G HN 0.220 nan 8.290 nan 0.000 0.558 78 E N -0.265 120.121 120.200 0.309 0.000 2.229 78 E HA 0.393 4.742 4.350 -0.001 0.000 0.283 78 E C -0.599 176.154 176.600 0.255 0.000 1.030 78 E CA -0.452 56.110 56.400 0.270 0.000 0.836 78 E CB 1.992 31.823 29.700 0.219 0.000 1.068 78 E HN 0.086 nan 8.360 nan 0.000 0.401 79 V N 4.990 124.934 119.914 0.050 0.000 2.555 79 V HA -0.018 4.101 4.120 -0.001 0.000 0.286 79 V C 1.116 177.161 176.094 -0.083 0.000 1.044 79 V CA -0.120 62.019 62.300 -0.268 0.000 1.026 79 V CB 0.686 32.282 31.823 -0.378 0.000 0.981 79 V HN 0.754 nan 8.190 nan 0.000 0.480 80 I N 2.461 122.933 120.570 -0.163 0.000 2.628 80 I HA 0.167 4.336 4.170 -0.001 0.000 0.255 80 I C 0.703 176.672 176.117 -0.247 0.000 1.119 80 I CA 1.238 62.434 61.300 -0.174 0.000 1.448 80 I CB -0.502 37.462 38.000 -0.060 0.000 1.133 80 I HN 0.764 nan 8.210 nan 0.000 0.438 81 H N -0.013 118.855 119.070 -0.336 0.000 3.085 81 H HA 0.563 5.119 4.556 -0.001 0.000 0.356 81 H C -0.846 174.276 175.328 -0.342 0.000 1.178 81 H CA -0.738 55.104 56.048 -0.344 0.000 1.214 81 H CB 1.877 31.435 29.762 -0.340 0.000 1.881 81 H HN -0.090 nan 8.280 nan 0.000 0.538 82 R N 4.189 124.235 120.500 -0.758 0.000 2.533 82 R HA 0.180 4.520 4.340 -0.001 0.000 0.288 82 R C -0.334 175.603 176.300 -0.606 0.000 1.039 82 R CA -0.433 55.377 56.100 -0.484 0.000 0.909 82 R CB 0.688 30.801 30.300 -0.312 0.000 1.195 82 R HN 0.638 nan 8.270 nan 0.000 0.438 83 Y N 2.521 122.727 120.300 -0.156 0.000 2.184 83 Y HA -0.085 4.464 4.550 -0.001 0.000 0.290 83 Y C 0.796 176.658 175.900 -0.065 0.000 1.129 83 Y CA 1.295 59.358 58.100 -0.062 0.000 1.144 83 Y CB 0.264 38.773 38.460 0.082 0.000 0.995 83 Y HN 0.365 nan 8.280 nan 0.000 0.513 84 K N -1.154 119.322 120.400 0.126 0.000 2.509 84 K HA 0.536 4.856 4.320 -0.001 0.000 0.266 84 K C -1.065 175.547 176.600 0.020 0.000 0.987 84 K CA -0.974 55.348 56.287 0.058 0.000 0.868 84 K CB 1.875 34.421 32.500 0.077 0.000 1.421 84 K HN -0.282 nan 8.250 nan 0.000 0.444 85 V N 2.566 122.483 119.914 0.005 0.000 2.720 85 V HA -0.127 3.992 4.120 -0.001 0.000 0.307 85 V C 0.977 177.079 176.094 0.013 0.000 1.071 85 V CA 1.066 63.364 62.300 -0.003 0.000 1.199 85 V CB -0.242 31.580 31.823 -0.002 0.000 0.900 85 V HN 1.093 nan 8.190 nan 0.000 0.494 86 N N 1.984 120.689 118.700 0.009 0.000 2.732 86 N HA -0.161 4.579 4.740 -0.001 0.000 0.250 86 N C 0.392 175.934 175.510 0.052 0.000 1.097 86 N CA 1.319 54.385 53.050 0.026 0.000 0.812 86 N CB -0.931 37.573 38.487 0.028 0.000 1.148 86 N HN 1.050 nan 8.380 nan 0.000 0.572 87 G N -0.994 107.845 108.800 0.065 0.000 2.537 87 G HA2 0.418 4.378 3.960 -0.001 0.000 0.297 87 G HA3 0.418 4.378 3.960 -0.001 0.000 0.297 87 G C -0.365 174.631 174.900 0.160 0.000 1.310 87 G CA -0.471 44.706 45.100 0.128 0.000 1.027 87 G HN 0.320 nan 8.290 nan 0.000 0.505 88 F N 0.916 120.933 119.950 0.111 0.000 2.623 88 F HA 0.182 4.708 4.527 -0.001 0.000 0.381 88 F C 0.923 176.783 175.800 0.100 0.000 1.081 88 F CA 0.285 58.366 58.000 0.135 0.000 1.293 88 F CB 0.449 39.552 39.000 0.171 0.000 1.006 88 F HN 0.419 nan 8.300 nan 0.000 0.578 89 K N 6.718 126.493 120.400 -1.042 0.000 2.371 89 K HA 0.666 4.985 4.320 -0.001 0.000 0.251 89 K C -2.091 173.760 176.600 -1.248 0.000 0.934 89 K CA -1.222 54.509 56.287 -0.927 0.000 0.798 89 K CB 2.226 34.380 32.500 -0.577 0.000 1.204 89 K HN 0.638 nan 8.250 nan 0.000 0.427 90 L N 3.025 123.788 121.223 -0.766 0.000 2.313 90 L HA 0.535 4.874 4.340 -0.001 0.000 0.283 90 L C -1.736 174.888 176.870 -0.411 0.000 1.013 90 L CA -0.333 54.282 54.840 -0.374 0.000 0.816 90 L CB 0.721 42.796 42.059 0.027 0.000 1.236 90 L HN 0.640 nan 8.230 nan 0.000 0.419 91 F N 4.212 124.144 119.950 -0.030 0.000 2.420 91 F HA 0.795 5.321 4.527 -0.001 0.000 0.342 91 F C 1.047 176.858 175.800 0.019 0.000 1.113 91 F CA 0.050 58.050 58.000 0.000 0.000 1.059 91 F CB 1.397 40.393 39.000 -0.006 0.000 1.128 91 F HN 0.835 nan 8.300 nan 0.000 0.475 92 G N 2.371 111.293 108.800 0.202 0.000 2.758 92 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.686 92 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.686 92 G C -1.788 173.145 174.900 0.055 0.000 1.389 92 G CA -1.121 44.056 45.100 0.128 0.000 0.845 92 G HN 0.738 nan 8.290 nan 0.000 0.572 93 L N 1.375 122.592 121.223 -0.010 0.000 2.445 93 L HA 0.588 4.928 4.340 -0.001 0.000 0.262 93 L C -2.037 174.698 176.870 -0.225 0.000 0.974 93 L CA -1.959 52.828 54.840 -0.088 0.000 0.822 93 L CB 2.911 44.932 42.059 -0.064 0.000 1.339 93 L HN 0.616 nan 8.230 nan 0.000 0.409 94 P HA 0.209 nan 4.420 nan 0.000 0.276 94 P C -0.857 176.179 177.300 -0.439 0.000 1.244 94 P CA -0.314 62.315 63.100 -0.785 0.000 0.801 94 P CB 0.988 32.080 31.700 -1.013 0.000 1.006 95 T N 3.223 117.605 114.554 -0.286 0.000 2.801 95 T HA 0.373 4.723 4.350 -0.001 0.000 0.306 95 T C -2.331 172.238 174.700 -0.217 0.000 1.020 95 T CA -1.277 60.684 62.100 -0.231 0.000 0.948 95 T CB 0.254 69.071 68.868 -0.085 0.000 0.962 95 T HN 0.317 nan 8.240 nan 0.000 0.465 96 P HA 0.208 nan 4.420 nan 0.000 0.267 96 P C -0.428 176.906 177.300 0.058 0.000 1.200 96 P CA -0.332 62.594 63.100 -0.290 0.000 0.772 96 P CB 0.577 31.779 31.700 -0.830 0.000 0.855 97 K N 2.112 122.635 120.400 0.204 0.000 2.378 97 K HA 0.353 4.673 4.320 -0.001 0.000 0.252 97 K C -0.287 176.279 176.600 -0.056 0.000 0.931 97 K CA -0.877 55.491 56.287 0.136 0.000 0.794 97 K CB 1.629 34.153 32.500 0.040 0.000 1.181 97 K HN 0.337 nan 8.250 nan 0.000 0.425 98 N N 1.465 119.999 118.700 -0.276 0.000 2.441 98 N HA -0.065 4.674 4.740 -0.001 0.000 0.251 98 N C 0.375 175.724 175.510 -0.268 0.000 1.242 98 N CA 0.185 52.896 53.050 -0.566 0.000 0.898 98 N CB 0.136 38.381 38.487 -0.404 0.000 1.100 98 N HN 0.557 nan 8.380 nan 0.000 0.443 99 N N -0.081 118.474 118.700 -0.242 0.000 2.708 99 N HA -0.208 4.531 4.740 -0.001 0.000 0.251 99 N C -1.547 173.916 175.510 -0.079 0.000 1.017 99 N CA 0.975 53.953 53.050 -0.121 0.000 0.742 99 N CB -0.934 37.497 38.487 -0.094 0.000 0.943 99 N HN 0.547 nan 8.380 nan 0.000 0.539 100 T N 0.375 114.892 114.554 -0.062 0.000 2.933 100 T HA 0.514 4.863 4.350 -0.001 0.000 0.305 100 T C 0.158 174.862 174.700 0.006 0.000 1.092 100 T CA -0.665 61.418 62.100 -0.027 0.000 1.008 100 T CB 1.473 70.331 68.868 -0.017 0.000 1.102 100 T HN 0.138 nan 8.240 nan 0.000 0.469 101 I N 3.084 123.654 120.570 0.000 0.000 2.312 101 I HA 0.431 4.601 4.170 -0.001 0.000 0.290 101 I C -0.507 175.622 176.117 0.020 0.000 1.008 101 I CA -0.755 60.557 61.300 0.019 0.000 1.226 101 I CB 1.253 39.254 38.000 0.001 0.000 1.371 101 I HN 0.365 nan 8.210 nan 0.000 0.468 102 L N 6.261 127.508 121.223 0.039 0.000 2.287 102 L HA 0.729 5.069 4.340 -0.001 0.000 0.287 102 L C 0.178 177.075 176.870 0.045 0.000 1.022 102 L CA -0.180 54.687 54.840 0.046 0.000 0.814 102 L CB 1.286 43.369 42.059 0.039 0.000 1.217 102 L HN 0.682 nan 8.230 nan 0.000 0.420 103 G N 4.077 112.906 108.800 0.049 0.000 2.400 103 G HA2 0.602 4.561 3.960 -0.001 0.000 0.333 103 G HA3 0.602 4.561 3.960 -0.001 0.000 0.333 103 G C -1.468 173.466 174.900 0.056 0.000 1.143 103 G CA -0.423 44.697 45.100 0.033 0.000 0.914 103 G HN 0.430 nan 8.290 nan 0.000 0.480 104 V N 2.253 122.180 119.914 0.021 0.000 2.483 104 V HA 0.549 4.669 4.120 -0.001 0.000 0.297 104 V C -0.692 175.394 176.094 -0.014 0.000 1.027 104 V CA -0.698 61.623 62.300 0.035 0.000 0.855 104 V CB 1.339 33.164 31.823 0.004 0.000 0.995 104 V HN 0.786 nan 8.190 nan 0.000 0.424 105 L N 4.400 125.630 121.223 0.011 0.000 2.386 105 L HA 1.115 5.455 4.340 -0.001 0.000 0.271 105 L C -0.164 176.712 176.870 0.010 0.000 0.993 105 L CA 0.208 55.010 54.840 -0.063 0.000 0.819 105 L CB 1.929 43.923 42.059 -0.108 0.000 1.294 105 L HN 0.840 nan 8.230 nan 0.000 0.414 106 G N 3.083 111.884 108.800 0.002 0.000 2.355 106 G HA2 0.262 4.221 3.960 -0.001 0.000 0.296 106 G HA3 0.262 4.221 3.960 -0.001 0.000 0.296 106 G C -1.721 173.294 174.900 0.191 0.000 1.507 106 G CA -0.532 44.642 45.100 0.123 0.000 0.823 106 G HN 0.939 nan 8.290 nan 0.000 0.569 107 K N 0.225 120.746 120.400 0.203 0.000 2.285 107 K HA 0.189 4.508 4.320 -0.001 0.000 0.255 107 K C -0.160 176.525 176.600 0.142 0.000 1.000 107 K CA -0.288 56.099 56.287 0.167 0.000 0.887 107 K CB 0.370 32.955 32.500 0.142 0.000 0.997 107 K HN 0.309 nan 8.250 nan 0.000 0.510 108 N N -0.396 118.348 118.700 0.073 0.000 2.503 108 N HA 0.184 4.924 4.740 -0.001 0.000 0.267 108 N C 0.725 176.245 175.510 0.016 0.000 1.214 108 N CA 0.913 53.997 53.050 0.056 0.000 0.959 108 N CB 0.944 39.441 38.487 0.017 0.000 1.142 108 N HN 0.915 nan 8.380 nan 0.000 0.455 109 G N -0.839 107.942 108.800 -0.032 0.000 2.157 109 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.239 109 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.239 109 G C 0.508 175.326 174.900 -0.136 0.000 0.982 109 G CA 0.435 45.472 45.100 -0.105 0.000 0.650 109 G HN 0.667 nan 8.290 nan 0.000 0.527 110 V N -2.920 116.964 119.914 -0.051 0.000 3.578 110 V HA 0.686 4.805 4.120 -0.001 0.000 0.290 110 V C 1.567 177.764 176.094 0.173 0.000 1.376 110 V CA 1.055 63.426 62.300 0.119 0.000 1.083 110 V CB 0.184 32.084 31.823 0.127 0.000 0.911 110 V HN 2.137 nan 8.190 nan 0.000 0.433 111 G N 0.751 109.487 108.800 -0.107 0.000 2.143 111 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.175 111 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.175 111 G C 0.612 175.549 174.900 0.062 0.000 1.004 111 G CA 0.274 45.373 45.100 -0.000 0.000 0.671 111 G HN 0.442 nan 8.290 nan 0.000 0.512 112 K N -0.220 120.196 120.400 0.027 0.000 1.991 112 K HA -0.100 4.219 4.320 -0.001 0.000 0.212 112 K C 2.520 179.129 176.600 0.015 0.000 1.049 112 K CA 1.996 58.295 56.287 0.020 0.000 0.932 112 K CB -0.393 32.109 32.500 0.002 0.000 0.717 112 K HN 0.300 nan 8.250 nan 0.000 0.441 113 T N 0.945 115.514 114.554 0.024 0.000 2.788 113 T HA -0.118 4.232 4.350 -0.001 0.000 0.268 113 T C 1.946 176.693 174.700 0.078 0.000 1.044 113 T CA 1.766 63.901 62.100 0.058 0.000 1.139 113 T CB -0.382 68.542 68.868 0.094 0.000 0.867 113 T HN 0.310 nan 8.240 nan 0.000 0.454 114 T N 1.989 116.602 114.554 0.100 0.000 2.635 114 T HA -0.125 4.225 4.350 -0.001 0.000 0.267 114 T C 2.152 176.887 174.700 0.059 0.000 1.040 114 T CA 1.225 63.415 62.100 0.149 0.000 1.156 114 T CB -0.764 68.261 68.868 0.261 0.000 0.863 114 T HN 0.136 nan 8.240 nan 0.000 0.430 115 V N 1.250 121.193 119.914 0.048 0.000 2.282 115 V HA -0.161 3.959 4.120 -0.001 0.000 0.249 115 V C 2.470 178.535 176.094 -0.048 0.000 1.057 115 V CA 1.502 63.802 62.300 0.001 0.000 1.032 115 V CB -0.623 31.196 31.823 -0.007 0.000 0.645 115 V HN 0.320 nan 8.190 nan 0.000 0.447 116 L N -0.581 120.602 121.223 -0.068 0.000 2.156 116 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 116 L C 2.274 179.043 176.870 -0.168 0.000 1.095 116 L CA 1.689 56.438 54.840 -0.152 0.000 0.770 116 L CB -0.973 40.969 42.059 -0.195 0.000 0.914 116 L HN 0.322 nan 8.230 nan 0.000 0.439 117 K N -0.672 119.688 120.400 -0.067 0.000 2.103 117 K HA -0.031 4.288 4.320 -0.001 0.000 0.204 117 K C 2.092 178.693 176.600 0.000 0.000 1.052 117 K CA 0.939 57.217 56.287 -0.015 0.000 0.945 117 K CB -0.091 32.450 32.500 0.069 0.000 0.722 117 K HN 0.218 nan 8.250 nan 0.000 0.443 118 I N 1.228 121.796 120.570 -0.002 0.000 2.226 118 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 118 I C 2.050 178.276 176.117 0.181 0.000 1.100 118 I CA 1.238 62.581 61.300 0.072 0.000 1.374 118 I CB -0.187 37.838 38.000 0.042 0.000 1.057 118 I HN 0.123 nan 8.210 nan 0.000 0.413 119 L N 0.308 121.557 121.223 0.044 0.000 2.201 119 L HA -0.107 4.232 4.340 -0.001 0.000 0.212 119 L C 2.435 179.313 176.870 0.012 0.000 1.105 119 L CA 0.885 55.704 54.840 -0.034 0.000 0.775 119 L CB -0.519 41.411 42.059 -0.216 0.000 0.913 119 L HN 0.231 nan 8.230 nan 0.000 0.440 120 A N -0.707 122.101 122.820 -0.019 0.000 2.275 120 A HA 0.323 4.642 4.320 -0.001 0.000 0.212 120 A C 1.794 179.401 177.584 0.038 0.000 1.201 120 A CA 0.673 52.694 52.037 -0.026 0.000 0.843 120 A CB -0.217 18.735 19.000 -0.081 0.000 0.873 120 A HN 0.480 nan 8.150 nan 0.000 0.492 121 G N -0.298 108.570 108.800 0.114 0.000 2.184 121 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.264 121 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.264 121 G C 0.675 175.638 174.900 0.105 0.000 0.975 121 G CA 0.796 46.003 45.100 0.179 0.000 0.642 121 G HN 0.606 nan 8.290 nan 0.000 0.536 122 E N -0.569 119.675 120.200 0.075 0.000 2.150 122 E HA 0.124 4.474 4.350 -0.001 0.000 0.193 122 E C 1.020 177.643 176.600 0.038 0.000 0.985 122 E CA 0.700 57.136 56.400 0.061 0.000 0.814 122 E CB 0.287 30.040 29.700 0.089 0.000 0.752 122 E HN 0.638 nan 8.360 nan 0.000 0.466 123 I N 2.033 122.609 120.570 0.011 0.000 2.406 123 I HA 0.154 4.324 4.170 -0.001 0.000 0.290 123 I C -0.548 175.530 176.117 -0.065 0.000 0.999 123 I CA -0.901 60.355 61.300 -0.073 0.000 1.124 123 I CB 1.809 39.673 38.000 -0.226 0.000 1.289 123 I HN -0.082 nan 8.210 nan 0.000 0.441 124 I N 8.323 128.856 120.570 -0.062 0.000 2.337 124 I HA 0.233 4.402 4.170 -0.001 0.000 0.291 124 I C -1.991 174.061 176.117 -0.109 0.000 1.046 124 I CA -2.780 58.490 61.300 -0.049 0.000 1.324 124 I CB -0.025 37.926 38.000 -0.082 0.000 1.409 124 I HN 0.204 nan 8.210 nan 0.000 0.494 125 P HA 0.040 nan 4.420 nan 0.000 0.264 125 P C 0.137 177.274 177.300 -0.272 0.000 1.193 125 P CA 0.087 63.023 63.100 -0.273 0.000 0.763 125 P CB 0.313 31.711 31.700 -0.504 0.000 0.810 126 N N 1.978 120.658 118.700 -0.034 0.000 2.230 126 N HA 0.013 4.753 4.740 -0.001 0.000 0.202 126 N C 0.047 175.536 175.510 -0.034 0.000 1.119 126 N CA -0.637 52.376 53.050 -0.061 0.000 0.851 126 N CB -0.715 37.716 38.487 -0.093 0.000 0.990 126 N HN 0.214 nan 8.380 nan 0.000 0.497 127 F N 0.191 120.104 119.950 -0.063 0.000 3.100 127 F HA -0.152 4.374 4.527 -0.001 0.000 0.283 127 F C 1.579 177.298 175.800 -0.135 0.000 0.900 127 F CA 0.816 58.759 58.000 -0.096 0.000 1.010 127 F CB -1.770 37.171 39.000 -0.099 0.000 1.029 127 F HN 0.421 nan 8.300 nan 0.000 0.637 128 G N -0.869 107.853 108.800 -0.129 0.000 2.176 128 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.253 128 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.253 128 G C -0.238 174.586 174.900 -0.126 0.000 0.979 128 G CA 0.118 45.118 45.100 -0.166 0.000 0.641 128 G HN 0.597 nan 8.290 nan 0.000 0.530 129 D N 0.473 120.820 120.400 -0.088 0.000 2.461 129 D HA 0.529 5.169 4.640 -0.001 0.000 0.240 129 D C -1.199 175.052 176.300 -0.082 0.000 1.094 129 D CA -2.004 51.956 54.000 -0.066 0.000 0.868 129 D CB 1.738 42.523 40.800 -0.025 0.000 1.062 129 D HN 0.118 nan 8.370 nan 0.000 0.530 130 P HA 0.059 nan 4.420 nan 0.000 0.236 130 P C 0.627 177.904 177.300 -0.038 0.000 1.177 130 P CA 0.355 63.400 63.100 -0.091 0.000 0.773 130 P CB 0.610 32.257 31.700 -0.088 0.000 0.878 131 N N -0.653 118.030 118.700 -0.029 0.000 2.402 131 N HA 0.013 4.752 4.740 -0.001 0.000 0.174 131 N C 0.389 175.891 175.510 -0.013 0.000 1.027 131 N CA 0.587 53.628 53.050 -0.016 0.000 0.891 131 N CB -0.397 38.082 38.487 -0.013 0.000 1.016 131 N HN -0.025 nan 8.380 nan 0.000 0.439 132 S N 1.592 117.283 115.700 -0.015 0.000 3.483 132 S HA 0.125 4.595 4.470 -0.001 0.000 0.274 132 S C 0.328 174.928 174.600 -0.001 0.000 1.289 132 S CA -0.323 57.872 58.200 -0.009 0.000 0.938 132 S CB 0.354 63.549 63.200 -0.008 0.000 1.453 132 S HN 0.134 nan 8.310 nan 0.000 0.494 133 K N 2.467 122.865 120.400 -0.002 0.000 2.436 133 K HA 0.163 4.482 4.320 -0.001 0.000 0.275 133 K C 0.018 176.622 176.600 0.006 0.000 0.999 133 K CA -0.162 56.126 56.287 0.003 0.000 0.980 133 K CB 0.392 32.891 32.500 -0.001 0.000 0.919 133 K HN 0.398 nan 8.250 nan 0.000 0.484 134 V N 1.164 121.089 119.914 0.019 0.000 2.483 134 V HA 0.570 4.689 4.120 -0.001 0.000 0.295 134 V C 0.579 176.666 176.094 -0.011 0.000 1.035 134 V CA -0.989 61.326 62.300 0.026 0.000 0.896 134 V CB 1.310 33.202 31.823 0.115 0.000 0.986 134 V HN 0.842 nan 8.190 nan 0.000 0.447 135 G N 2.415 111.199 108.800 -0.027 0.000 2.699 135 G HA2 0.239 4.198 3.960 -0.001 0.000 0.246 135 G HA3 0.239 4.198 3.960 -0.001 0.000 0.246 135 G C 0.373 175.227 174.900 -0.077 0.000 1.219 135 G CA -0.275 44.792 45.100 -0.055 0.000 0.866 135 G HN 0.913 nan 8.290 nan 0.000 0.572 136 K N -0.366 119.952 120.400 -0.138 0.000 2.044 136 K HA -0.075 4.245 4.320 -0.001 0.000 0.204 136 K C 2.341 178.925 176.600 -0.027 0.000 1.049 136 K CA 1.392 57.544 56.287 -0.224 0.000 0.945 136 K CB -0.024 32.210 32.500 -0.444 0.000 0.724 136 K HN 0.668 nan 8.250 nan 0.000 0.440 137 D N 1.107 121.500 120.400 -0.010 0.000 2.133 137 D HA -0.247 4.393 4.640 -0.001 0.000 0.195 137 D C 1.698 178.014 176.300 0.026 0.000 0.997 137 D CA 1.231 55.253 54.000 0.037 0.000 0.840 137 D CB -0.464 40.348 40.800 0.020 0.000 0.947 137 D HN 0.076 nan 8.370 nan 0.000 0.452 138 E N 0.372 120.563 120.200 -0.015 0.000 2.077 138 E HA -0.115 4.234 4.350 -0.001 0.000 0.193 138 E C 2.320 178.863 176.600 -0.094 0.000 0.989 138 E CA 0.684 57.050 56.400 -0.057 0.000 0.800 138 E CB 0.042 29.704 29.700 -0.062 0.000 0.746 138 E HN 0.273 nan 8.360 nan 0.000 0.452 139 V N 1.401 121.304 119.914 -0.019 0.000 2.358 139 V HA -0.231 3.889 4.120 -0.001 0.000 0.246 139 V C 2.651 178.619 176.094 -0.210 0.000 1.047 139 V CA 1.153 63.434 62.300 -0.033 0.000 1.035 139 V CB -0.472 31.405 31.823 0.090 0.000 0.658 139 V HN 0.256 nan 8.190 nan 0.000 0.452 140 L N 0.627 121.877 121.223 0.044 0.000 2.046 140 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 140 L C 2.789 179.787 176.870 0.213 0.000 1.077 140 L CA 2.134 57.067 54.840 0.154 0.000 0.747 140 L CB -0.547 41.624 42.059 0.188 0.000 0.896 140 L HN 0.498 nan 8.230 nan 0.000 0.432 141 K N -0.166 120.286 120.400 0.087 0.000 2.211 141 K HA -0.190 4.129 4.320 -0.001 0.000 0.203 141 K C 2.012 178.592 176.600 -0.033 0.000 1.050 141 K CA 1.081 57.401 56.287 0.055 0.000 0.945 141 K CB -0.277 32.225 32.500 0.003 0.000 0.732 141 K HN 0.226 nan 8.250 nan 0.000 0.451 142 R N 0.087 120.468 120.500 -0.197 0.000 2.189 142 R HA 0.076 4.415 4.340 -0.001 0.000 0.218 142 R C 1.555 177.816 176.300 -0.064 0.000 1.074 142 R CA 1.048 56.968 56.100 -0.300 0.000 0.991 142 R CB -0.142 29.702 30.300 -0.761 0.000 0.883 142 R HN 0.253 nan 8.270 nan 0.000 0.457 143 F N 0.430 120.471 119.950 0.152 0.000 2.797 143 F HA 0.140 4.667 4.527 -0.001 0.000 0.302 143 F C 0.581 176.541 175.800 0.266 0.000 1.130 143 F CA -0.585 57.548 58.000 0.222 0.000 1.387 143 F CB 0.230 39.369 39.000 0.232 0.000 1.107 143 F HN -0.259 nan 8.300 nan 0.000 0.577 144 R N 0.693 121.386 120.500 0.322 0.000 2.538 144 R HA 0.171 4.510 4.340 -0.001 0.000 0.282 144 R C 1.189 177.513 176.300 0.041 0.000 1.009 144 R CA 1.080 57.200 56.100 0.032 0.000 1.063 144 R CB 0.060 30.310 30.300 -0.084 0.000 0.945 144 R HN 0.427 nan 8.270 nan 0.000 0.414 145 G N 2.214 110.999 108.800 -0.024 0.000 2.527 145 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.218 145 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.218 145 G C -0.194 174.755 174.900 0.082 0.000 1.177 145 G CA -0.373 44.739 45.100 0.020 0.000 0.695 145 G HN 0.447 nan 8.290 nan 0.000 0.517 146 K N 1.606 122.096 120.400 0.150 0.000 2.319 146 K HA 0.231 4.551 4.320 -0.001 0.000 0.265 146 K C 1.421 178.101 176.600 0.134 0.000 1.000 146 K CA -0.044 56.330 56.287 0.145 0.000 0.943 146 K CB 0.628 33.238 32.500 0.185 0.000 0.950 146 K HN 0.453 nan 8.250 nan 0.000 0.485 147 E N 1.229 121.481 120.200 0.087 0.000 2.197 147 E HA -0.262 4.088 4.350 -0.001 0.000 0.205 147 E C 1.635 178.279 176.600 0.073 0.000 1.029 147 E CA 1.491 57.932 56.400 0.069 0.000 0.828 147 E CB -0.065 29.659 29.700 0.041 0.000 0.737 147 E HN 0.536 nan 8.360 nan 0.000 0.464 148 I N 0.005 120.602 120.570 0.046 0.000 3.226 148 I HA -0.179 3.990 4.170 -0.001 0.000 0.277 148 I C 2.146 178.355 176.117 0.153 0.000 1.243 148 I CA 0.166 61.474 61.300 0.014 0.000 1.459 148 I CB -0.020 37.910 38.000 -0.117 0.000 1.093 148 I HN 0.026 nan 8.210 nan 0.000 0.453 149 Y N 2.138 122.513 120.300 0.124 0.000 2.096 149 Y HA -0.426 4.124 4.550 -0.001 0.000 0.278 149 Y C 2.244 178.239 175.900 0.157 0.000 1.192 149 Y CA 2.415 60.639 58.100 0.207 0.000 1.143 149 Y CB -0.410 38.157 38.460 0.178 0.000 0.963 149 Y HN 0.317 nan 8.280 nan 0.000 0.505 150 N N -1.083 117.748 118.700 0.219 0.000 2.188 150 N HA -0.229 4.510 4.740 -0.001 0.000 0.184 150 N C 1.774 177.264 175.510 -0.034 0.000 1.018 150 N CA 1.590 54.717 53.050 0.128 0.000 0.858 150 N CB -0.987 37.615 38.487 0.192 0.000 0.989 150 N HN 0.524 nan 8.380 nan 0.000 0.426 151 Y N 1.202 121.393 120.300 -0.182 0.000 2.114 151 Y HA -0.189 4.360 4.550 -0.001 0.000 0.284 151 Y C 2.038 177.625 175.900 -0.521 0.000 1.143 151 Y CA 1.509 59.373 58.100 -0.394 0.000 1.135 151 Y CB -0.571 37.551 38.460 -0.564 0.000 0.980 151 Y HN -0.165 nan 8.280 nan 0.000 0.499 152 F N 0.641 120.344 119.950 -0.412 0.000 2.171 152 F HA -0.136 4.390 4.527 -0.001 0.000 0.300 152 F C 2.399 177.801 175.800 -0.663 0.000 1.090 152 F CA 1.824 59.426 58.000 -0.663 0.000 1.293 152 F CB -0.792 37.930 39.000 -0.464 0.000 1.013 152 F HN 0.017 nan 8.300 nan 0.000 0.486 153 K N 1.013 121.163 120.400 -0.417 0.000 2.001 153 K HA -0.230 4.090 4.320 -0.001 0.000 0.214 153 K C 1.857 178.316 176.600 -0.234 0.000 1.050 153 K CA 2.046 58.121 56.287 -0.353 0.000 0.934 153 K CB -0.582 31.692 32.500 -0.377 0.000 0.718 153 K HN 0.306 nan 8.250 nan 0.000 0.443 154 E N -0.176 119.857 120.200 -0.278 0.000 2.070 154 E HA -0.227 4.122 4.350 -0.001 0.000 0.197 154 E C 2.011 178.433 176.600 -0.296 0.000 1.004 154 E CA 1.524 57.772 56.400 -0.254 0.000 0.805 154 E CB -0.293 29.242 29.700 -0.275 0.000 0.744 154 E HN 0.243 nan 8.360 nan 0.000 0.451 155 L N 0.128 121.039 121.223 -0.519 0.000 1.989 155 L HA -0.203 4.137 4.340 -0.001 0.000 0.211 155 L C 1.857 178.734 176.870 0.012 0.000 1.071 155 L CA 1.682 56.288 54.840 -0.389 0.000 0.749 155 L CB -0.350 41.321 42.059 -0.647 0.000 0.890 155 L HN 0.167 nan 8.230 nan 0.000 0.431 156 Y N -1.169 119.078 120.300 -0.088 0.000 2.578 156 Y HA 0.153 4.703 4.550 -0.001 0.000 0.297 156 Y C 2.332 178.204 175.900 -0.047 0.000 1.176 156 Y CA 0.177 58.256 58.100 -0.036 0.000 1.315 156 Y CB -0.949 37.514 38.460 0.005 0.000 1.031 156 Y HN 0.215 nan 8.280 nan 0.000 0.524 157 S N -0.166 115.577 115.700 0.070 0.000 2.540 157 S HA 0.034 4.504 4.470 -0.001 0.000 0.218 157 S C 0.336 174.942 174.600 0.010 0.000 0.977 157 S CA -0.079 58.139 58.200 0.029 0.000 0.918 157 S CB -0.208 62.992 63.200 -0.000 0.000 0.806 157 S HN 0.450 nan 8.310 nan 0.000 0.496 158 N N 1.610 120.315 118.700 0.008 0.000 2.747 158 N HA -0.166 4.574 4.740 -0.001 0.000 0.249 158 N C 0.066 175.562 175.510 -0.023 0.000 1.107 158 N CA 0.731 53.777 53.050 -0.007 0.000 0.707 158 N CB -1.369 37.118 38.487 0.000 0.000 1.054 158 N HN 0.592 nan 8.380 nan 0.000 0.555 159 E N -0.150 120.024 120.200 -0.044 0.000 2.472 159 E HA 0.169 4.519 4.350 -0.001 0.000 0.196 159 E C 0.160 176.736 176.600 -0.040 0.000 1.033 159 E CA 0.362 56.740 56.400 -0.036 0.000 0.886 159 E CB 0.409 30.089 29.700 -0.034 0.000 0.944 159 E HN 0.354 nan 8.360 nan 0.000 0.492 160 L N 2.014 123.193 121.223 -0.073 0.000 2.325 160 L HA 0.362 4.701 4.340 -0.001 0.000 0.281 160 L C -0.398 176.433 176.870 -0.064 0.000 1.004 160 L CA -0.793 54.004 54.840 -0.072 0.000 0.823 160 L CB 1.518 43.481 42.059 -0.159 0.000 1.236 160 L HN -0.192 nan 8.230 nan 0.000 0.415 161 K N 4.984 125.353 120.400 -0.050 0.000 2.234 161 K HA 0.609 4.929 4.320 -0.001 0.000 0.282 161 K C -0.772 175.756 176.600 -0.119 0.000 1.039 161 K CA -0.270 55.973 56.287 -0.073 0.000 0.928 161 K CB 1.585 34.046 32.500 -0.064 0.000 1.039 161 K HN 0.462 nan 8.250 nan 0.000 0.470 162 I N 2.632 123.126 120.570 -0.126 0.000 2.465 162 I HA 0.278 4.447 4.170 -0.001 0.000 0.291 162 I C -0.576 175.432 176.117 -0.182 0.000 1.014 162 I CA -1.305 59.905 61.300 -0.151 0.000 1.093 162 I CB 2.006 39.953 38.000 -0.088 0.000 1.267 162 I HN 0.245 nan 8.210 nan 0.000 0.431 163 V N 5.501 125.244 119.914 -0.285 0.000 2.459 163 V HA 0.345 4.464 4.120 -0.001 0.000 0.295 163 V C -0.536 175.474 176.094 -0.139 0.000 1.029 163 V CA -0.455 61.698 62.300 -0.245 0.000 0.874 163 V CB 1.737 33.316 31.823 -0.407 0.000 0.985 163 V HN 0.701 nan 8.190 nan 0.000 0.438 164 H N 5.090 124.044 119.070 -0.194 0.000 2.970 164 H HA 0.370 4.926 4.556 -0.001 0.000 0.315 164 H C -0.627 174.612 175.328 -0.148 0.000 0.992 164 H CA -0.908 55.038 56.048 -0.170 0.000 1.363 164 H CB 1.148 30.858 29.762 -0.087 0.000 1.532 164 H HN 0.473 nan 8.280 nan 0.000 0.514 165 K N 7.708 128.075 120.400 -0.055 0.000 2.273 165 K HA 0.132 4.452 4.320 -0.001 0.000 0.287 165 K C 0.082 176.672 176.600 -0.016 0.000 1.089 165 K CA -0.482 55.757 56.287 -0.079 0.000 0.909 165 K CB -0.534 31.913 32.500 -0.088 0.000 1.123 165 K HN 0.681 nan 8.250 nan 0.000 0.473 166 I N 0.470 120.934 120.570 -0.177 0.000 2.823 166 I HA 0.075 4.244 4.170 -0.001 0.000 0.290 166 I C 1.450 177.540 176.117 -0.046 0.000 1.091 166 I CA -0.403 60.769 61.300 -0.214 0.000 1.365 166 I CB 0.843 38.717 38.000 -0.210 0.000 1.427 166 I HN 0.643 nan 8.210 nan 0.000 0.583 167 Q N 3.123 122.839 119.800 -0.141 0.000 2.096 167 Q HA -0.167 4.173 4.340 -0.001 0.000 0.204 167 Q C -0.101 175.691 176.000 -0.347 0.000 0.982 167 Q CA 1.581 57.171 55.803 -0.356 0.000 0.850 167 Q CB -0.153 28.130 28.738 -0.759 0.000 0.901 167 Q HN 0.750 nan 8.270 nan 0.000 0.422 168 Y N 1.358 121.738 120.300 0.132 0.000 2.636 168 Y HA 0.122 4.672 4.550 -0.001 0.000 0.341 168 Y C 1.136 177.154 175.900 0.196 0.000 1.169 168 Y CA -0.465 57.737 58.100 0.169 0.000 1.498 168 Y CB 0.294 38.835 38.460 0.136 0.000 1.362 168 Y HN 0.050 nan 8.280 nan 0.000 0.494 169 V N -0.716 119.351 119.914 0.256 0.000 2.490 169 V HA -0.236 3.884 4.120 -0.001 0.000 0.250 169 V C 1.547 177.722 176.094 0.135 0.000 1.061 169 V CA 1.865 64.269 62.300 0.173 0.000 1.064 169 V CB -0.182 31.717 31.823 0.126 0.000 0.670 169 V HN 0.670 nan 8.190 nan 0.000 0.461 170 E N -0.042 120.249 120.200 0.151 0.000 2.031 170 E HA -0.239 4.110 4.350 -0.001 0.000 0.193 170 E C 2.105 178.769 176.600 0.106 0.000 0.994 170 E CA 1.788 58.243 56.400 0.091 0.000 0.800 170 E CB -0.537 29.222 29.700 0.099 0.000 0.752 170 E HN 0.766 nan 8.360 nan 0.000 0.447 171 Y N 1.669 122.026 120.300 0.096 0.000 2.151 171 Y HA -0.263 4.286 4.550 -0.001 0.000 0.284 171 Y C 2.247 178.245 175.900 0.163 0.000 1.166 171 Y CA 1.611 59.767 58.100 0.093 0.000 1.163 171 Y CB -0.331 38.211 38.460 0.138 0.000 0.974 171 Y HN 0.005 nan 8.280 nan 0.000 0.511 172 A N -1.521 121.407 122.820 0.179 0.000 2.168 172 A HA -0.030 4.290 4.320 -0.001 0.000 0.215 172 A C 2.076 179.717 177.584 0.095 0.000 1.152 172 A CA 1.506 53.632 52.037 0.148 0.000 0.716 172 A CB -0.575 18.522 19.000 0.163 0.000 0.794 172 A HN 0.431 nan 8.150 nan 0.000 0.465 173 S N -0.816 114.881 115.700 -0.005 0.000 2.559 173 S HA 0.033 4.503 4.470 -0.001 0.000 0.226 173 S C 1.672 176.203 174.600 -0.114 0.000 1.000 173 S CA 0.331 58.511 58.200 -0.033 0.000 0.948 173 S CB 0.193 63.375 63.200 -0.030 0.000 0.870 173 S HN 0.847 nan 8.310 nan 0.000 0.497 174 K N 0.683 120.920 120.400 -0.271 0.000 2.243 174 K HA 0.086 4.405 4.320 -0.001 0.000 0.201 174 K C 0.891 177.271 176.600 -0.366 0.000 1.051 174 K CA 0.987 57.051 56.287 -0.371 0.000 0.970 174 K CB -0.478 31.701 32.500 -0.535 0.000 0.755 174 K HN 0.243 nan 8.250 nan 0.000 0.465 175 F N 2.512 122.369 119.950 -0.156 0.000 2.407 175 F HA 0.127 4.653 4.527 -0.001 0.000 0.299 175 F C 0.990 176.734 175.800 -0.093 0.000 1.097 175 F CA 0.159 58.080 58.000 -0.131 0.000 1.422 175 F CB -0.339 38.566 39.000 -0.159 0.000 1.067 175 F HN -0.161 nan 8.300 nan 0.000 0.539 176 L N 1.792 123.055 121.223 0.066 0.000 2.380 176 L HA 0.259 4.598 4.340 -0.001 0.000 0.273 176 L C -0.297 176.566 176.870 -0.013 0.000 1.138 176 L CA -0.378 54.475 54.840 0.021 0.000 0.832 176 L CB 0.496 42.556 42.059 0.002 0.000 1.124 176 L HN 0.059 nan 8.230 nan 0.000 0.454 177 K N 1.623 122.014 120.400 -0.016 0.000 2.427 177 K HA 0.889 5.208 4.320 -0.001 0.000 0.252 177 K C -0.173 176.404 176.600 -0.039 0.000 0.931 177 K CA -0.645 55.625 56.287 -0.028 0.000 0.793 177 K CB 2.154 34.642 32.500 -0.020 0.000 1.211 177 K HN 0.742 nan 8.250 nan 0.000 0.426 178 G N 0.901 109.673 108.800 -0.046 0.000 2.631 178 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.504 178 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.504 178 G C -0.207 174.647 174.900 -0.076 0.000 1.306 178 G CA -0.509 44.557 45.100 -0.058 0.000 0.897 178 G HN 1.154 nan 8.290 nan 0.000 0.520 179 T N -2.275 112.221 114.554 -0.098 0.000 2.788 179 T HA 0.511 4.861 4.350 -0.001 0.000 0.287 179 T C 1.802 176.388 174.700 -0.190 0.000 1.007 179 T CA 0.577 62.599 62.100 -0.130 0.000 1.005 179 T CB 1.320 70.104 68.868 -0.141 0.000 1.012 179 T HN 1.459 nan 8.240 nan 0.000 0.530 180 V N 1.812 121.588 119.914 -0.231 0.000 2.255 180 V HA -0.185 3.935 4.120 -0.001 0.000 0.247 180 V C 2.964 178.696 176.094 -0.603 0.000 1.051 180 V CA 2.466 64.572 62.300 -0.324 0.000 1.018 180 V CB -1.269 30.402 31.823 -0.253 0.000 0.641 180 V HN 0.993 nan 8.190 nan 0.000 0.445 181 N N 0.324 118.487 118.700 -0.896 0.000 2.069 181 N HA -0.209 4.531 4.740 -0.001 0.000 0.191 181 N C 1.841 177.072 175.510 -0.466 0.000 1.031 181 N CA 2.142 54.544 53.050 -1.080 0.000 0.852 181 N CB -0.264 37.564 38.487 -1.099 0.000 1.018 181 N HN 0.588 nan 8.380 nan 0.000 0.423 182 E N -0.081 119.939 120.200 -0.301 0.000 2.070 182 E HA -0.171 4.179 4.350 -0.001 0.000 0.197 182 E C 2.045 178.562 176.600 -0.138 0.000 1.004 182 E CA 1.212 57.512 56.400 -0.166 0.000 0.805 182 E CB -0.111 29.516 29.700 -0.121 0.000 0.744 182 E HN 0.443 nan 8.360 nan 0.000 0.451 183 I N 0.758 121.234 120.570 -0.156 0.000 2.179 183 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 183 I C 2.425 178.490 176.117 -0.087 0.000 1.088 183 I CA 1.318 62.555 61.300 -0.104 0.000 1.357 183 I CB -0.652 37.290 38.000 -0.097 0.000 1.051 183 I HN 0.176 nan 8.210 nan 0.000 0.409 184 L N 0.527 121.671 121.223 -0.130 0.000 2.313 184 L HA -0.118 4.222 4.340 -0.001 0.000 0.214 184 L C 2.679 179.539 176.870 -0.016 0.000 1.119 184 L CA 1.366 56.172 54.840 -0.058 0.000 0.809 184 L CB -0.775 41.250 42.059 -0.056 0.000 0.933 184 L HN 0.389 nan 8.230 nan 0.000 0.449 185 T N -3.174 111.351 114.554 -0.049 0.000 2.904 185 T HA -0.143 4.207 4.350 -0.001 0.000 0.267 185 T C 1.863 176.565 174.700 0.002 0.000 1.059 185 T CA 0.677 62.775 62.100 -0.003 0.000 1.137 185 T CB -0.070 68.790 68.868 -0.014 0.000 0.879 185 T HN 0.214 nan 8.240 nan 0.000 0.467 186 K N 1.050 121.442 120.400 -0.014 0.000 2.062 186 K HA 0.120 4.439 4.320 -0.001 0.000 0.205 186 K C 2.247 178.850 176.600 0.005 0.000 1.051 186 K CA 1.493 57.776 56.287 -0.007 0.000 0.941 186 K CB -0.256 32.234 32.500 -0.017 0.000 0.719 186 K HN 0.629 nan 8.250 nan 0.000 0.440 187 I N -1.668 118.908 120.570 0.009 0.000 3.793 187 I HA 0.082 4.252 4.170 -0.001 0.000 0.315 187 I C 0.100 176.241 176.117 0.040 0.000 1.275 187 I CA -0.060 61.252 61.300 0.020 0.000 1.214 187 I CB 0.069 38.080 38.000 0.018 0.000 1.018 187 I HN -0.182 nan 8.210 nan 0.000 0.439 188 D N 3.132 123.560 120.400 0.046 0.000 2.429 188 D HA -0.024 4.616 4.640 -0.001 0.000 0.253 188 D C 0.948 177.282 176.300 0.057 0.000 1.294 188 D CA 0.484 54.522 54.000 0.063 0.000 1.063 188 D CB 0.368 41.212 40.800 0.072 0.000 1.096 188 D HN 0.418 nan 8.370 nan 0.000 0.516 189 E N 1.491 121.728 120.200 0.061 0.000 2.371 189 E HA 0.010 4.359 4.350 -0.001 0.000 0.194 189 E C 1.365 178.003 176.600 0.064 0.000 1.012 189 E CA 0.346 56.780 56.400 0.056 0.000 0.860 189 E CB 0.461 30.194 29.700 0.055 0.000 0.811 189 E HN 0.363 nan 8.360 nan 0.000 0.502 190 R N -0.506 120.040 120.500 0.075 0.000 2.334 190 R HA 0.130 4.470 4.340 -0.001 0.000 0.212 190 R C 0.735 177.071 176.300 0.060 0.000 0.897 190 R CA 0.440 56.584 56.100 0.073 0.000 1.056 190 R CB 0.840 31.193 30.300 0.088 0.000 1.046 190 R HN 0.090 nan 8.270 nan 0.000 0.513 191 G N 2.355 111.191 108.800 0.060 0.000 2.314 191 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.292 191 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.292 191 G C 0.206 175.140 174.900 0.057 0.000 1.059 191 G CA 0.470 45.603 45.100 0.056 0.000 0.982 191 G HN 0.336 nan 8.290 nan 0.000 0.505 192 K N -0.982 119.459 120.400 0.070 0.000 2.564 192 K HA 0.220 4.539 4.320 -0.001 0.000 0.201 192 K C 1.862 178.513 176.600 0.085 0.000 1.086 192 K CA -0.059 56.267 56.287 0.065 0.000 1.062 192 K CB 0.555 33.091 32.500 0.060 0.000 0.849 192 K HN 0.283 nan 8.250 nan 0.000 0.529 193 K N 1.547 122.015 120.400 0.113 0.000 2.020 193 K HA -0.213 4.106 4.320 -0.001 0.000 0.212 193 K C 0.967 177.648 176.600 0.134 0.000 1.050 193 K CA 2.010 58.406 56.287 0.182 0.000 0.929 193 K CB 0.161 32.802 32.500 0.234 0.000 0.714 193 K HN 0.109 nan 8.250 nan 0.000 0.443 194 D N 0.162 120.597 120.400 0.059 0.000 2.144 194 D HA -0.157 4.482 4.640 -0.001 0.000 0.199 194 D C 1.797 178.067 176.300 -0.051 0.000 0.984 194 D CA 1.011 54.989 54.000 -0.037 0.000 0.834 194 D CB -0.035 40.748 40.800 -0.029 0.000 0.955 194 D HN 0.380 nan 8.370 nan 0.000 0.465 195 E N 0.347 120.543 120.200 -0.006 0.000 2.038 195 E HA -0.153 4.196 4.350 -0.001 0.000 0.195 195 E C 2.224 178.821 176.600 -0.006 0.000 1.000 195 E CA 1.231 57.627 56.400 -0.007 0.000 0.803 195 E CB 0.206 29.913 29.700 0.011 0.000 0.750 195 E HN 0.042 nan 8.360 nan 0.000 0.448 196 V N 1.178 121.110 119.914 0.031 0.000 2.287 196 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 196 V C 2.427 178.532 176.094 0.019 0.000 1.053 196 V CA 2.143 64.475 62.300 0.053 0.000 1.027 196 V CB -0.806 31.088 31.823 0.120 0.000 0.646 196 V HN 0.251 nan 8.190 nan 0.000 0.447 197 K N 0.283 120.658 120.400 -0.040 0.000 2.052 197 K HA -0.363 3.957 4.320 -0.001 0.000 0.215 197 K C 2.282 178.772 176.600 -0.183 0.000 1.053 197 K CA 2.616 58.752 56.287 -0.252 0.000 0.934 197 K CB -0.205 31.930 32.500 -0.608 0.000 0.717 197 K HN 0.559 nan 8.250 nan 0.000 0.450 198 E N 0.669 120.783 120.200 -0.144 0.000 2.017 198 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 198 E C 2.034 178.594 176.600 -0.066 0.000 0.997 198 E CA 1.648 57.985 56.400 -0.105 0.000 0.804 198 E CB -0.246 29.404 29.700 -0.084 0.000 0.757 198 E HN 0.388 nan 8.360 nan 0.000 0.448 199 L N -0.068 121.129 121.223 -0.043 0.000 2.109 199 L HA -0.053 4.287 4.340 -0.001 0.000 0.207 199 L C 2.232 179.086 176.870 -0.027 0.000 1.086 199 L CA 0.732 55.553 54.840 -0.032 0.000 0.760 199 L CB -0.315 41.732 42.059 -0.021 0.000 0.910 199 L HN 0.199 nan 8.230 nan 0.000 0.437 200 L N -0.577 120.641 121.223 -0.008 0.000 2.592 200 L HA 0.067 4.406 4.340 -0.001 0.000 0.227 200 L C 0.514 177.389 176.870 0.008 0.000 1.127 200 L CA 0.018 54.865 54.840 0.011 0.000 0.884 200 L CB -0.439 41.650 42.059 0.050 0.000 1.065 200 L HN 0.467 nan 8.230 nan 0.000 0.457 201 N N 1.196 119.883 118.700 -0.021 0.000 2.708 201 N HA -0.209 4.531 4.740 -0.001 0.000 0.255 201 N C 0.412 175.918 175.510 -0.007 0.000 1.046 201 N CA 0.008 53.039 53.050 -0.031 0.000 0.715 201 N CB -0.441 38.033 38.487 -0.021 0.000 0.895 201 N HN 0.376 nan 8.380 nan 0.000 0.545 202 M N 0.292 119.881 119.600 -0.018 0.000 2.551 202 M HA -0.002 4.478 4.480 -0.001 0.000 0.252 202 M C 1.940 178.307 176.300 0.111 0.000 1.219 202 M CA 0.118 55.478 55.300 0.101 0.000 0.978 202 M CB 0.351 33.105 32.600 0.256 0.000 1.533 202 M HN 0.347 nan 8.290 nan 0.000 0.474 203 T N 0.773 115.312 114.554 -0.026 0.000 2.708 203 T HA -0.135 4.215 4.350 -0.001 0.000 0.266 203 T C 1.285 176.042 174.700 0.095 0.000 1.037 203 T CA 2.086 64.171 62.100 -0.025 0.000 1.146 203 T CB -0.215 68.603 68.868 -0.082 0.000 0.865 203 T HN 0.535 nan 8.240 nan 0.000 0.435 204 N N 0.277 119.023 118.700 0.077 0.000 2.519 204 N HA 0.073 4.812 4.740 -0.001 0.000 0.186 204 N C 1.435 177.011 175.510 0.109 0.000 1.062 204 N CA 0.684 53.783 53.050 0.082 0.000 0.910 204 N CB -0.082 38.439 38.487 0.056 0.000 0.958 204 N HN 0.428 nan 8.380 nan 0.000 0.445 205 L N -1.643 119.677 121.223 0.161 0.000 2.701 205 L HA 0.132 4.472 4.340 -0.001 0.000 0.238 205 L C 1.674 178.664 176.870 0.200 0.000 1.106 205 L CA -0.300 54.631 54.840 0.152 0.000 0.898 205 L CB -0.084 42.061 42.059 0.143 0.000 1.188 205 L HN 0.366 nan 8.230 nan 0.000 0.508 206 W N 2.427 123.732 121.300 0.008 0.000 2.325 206 W HA -0.233 4.426 4.660 -0.001 0.000 0.299 206 W C 0.642 177.166 176.519 0.008 0.000 1.215 206 W CA 1.570 58.920 57.345 0.009 0.000 1.244 206 W CB 0.135 29.600 29.460 0.009 0.000 1.140 206 W HN 0.294 nan 8.180 nan 0.000 0.523 207 N N -0.646 118.108 118.700 0.090 0.000 2.338 207 N HA 0.074 4.814 4.740 -0.001 0.000 0.251 207 N C -0.760 174.742 175.510 -0.013 0.000 1.199 207 N CA -0.139 52.908 53.050 -0.006 0.000 0.879 207 N CB 0.571 39.090 38.487 0.053 0.000 1.159 207 N HN -0.182 nan 8.380 nan 0.000 0.514 208 K N 0.627 121.018 120.400 -0.016 0.000 2.123 208 K HA 0.181 4.501 4.320 -0.001 0.000 0.259 208 K C -0.768 175.808 176.600 -0.042 0.000 0.960 208 K CA -0.718 55.560 56.287 -0.015 0.000 0.872 208 K CB 1.621 34.124 32.500 0.006 0.000 1.079 208 K HN 0.057 nan 8.250 nan 0.000 0.440 209 D N 1.136 121.514 120.400 -0.036 0.000 2.389 209 D HA 0.043 4.682 4.640 -0.001 0.000 0.247 209 D C 0.903 177.177 176.300 -0.044 0.000 1.128 209 D CA 0.109 54.082 54.000 -0.045 0.000 0.884 209 D CB 1.509 42.286 40.800 -0.038 0.000 1.194 209 D HN 0.628 nan 8.370 nan 0.000 0.441 210 A N 4.449 127.238 122.820 -0.050 0.000 2.032 210 A HA -0.253 4.066 4.320 -0.001 0.000 0.221 210 A C 1.671 179.227 177.584 -0.045 0.000 1.165 210 A CA 1.348 53.358 52.037 -0.045 0.000 0.645 210 A CB -0.260 18.713 19.000 -0.045 0.000 0.807 210 A HN 0.602 nan 8.150 nan 0.000 0.453 211 N N -0.965 117.707 118.700 -0.047 0.000 2.459 211 N HA -0.010 4.730 4.740 -0.001 0.000 0.181 211 N C 1.081 176.566 175.510 -0.042 0.000 1.046 211 N CA 0.820 53.841 53.050 -0.049 0.000 0.904 211 N CB -0.237 38.221 38.487 -0.048 0.000 0.964 211 N HN 0.545 nan 8.380 nan 0.000 0.444 212 I N 0.016 120.565 120.570 -0.035 0.000 3.875 212 I HA 0.102 4.272 4.170 -0.001 0.000 0.329 212 I C -0.582 175.519 176.117 -0.027 0.000 1.295 212 I CA -0.025 61.258 61.300 -0.028 0.000 1.129 212 I CB 0.243 38.231 38.000 -0.020 0.000 1.008 212 I HN -0.143 nan 8.210 nan 0.000 0.413 213 L N 0.904 122.106 121.223 -0.034 0.000 2.331 213 L HA 0.297 4.637 4.340 -0.001 0.000 0.278 213 L C 0.950 177.789 176.870 -0.052 0.000 1.106 213 L CA -0.003 54.817 54.840 -0.034 0.000 0.824 213 L CB 0.858 42.898 42.059 -0.033 0.000 1.142 213 L HN 0.280 nan 8.230 nan 0.000 0.443 214 S N 1.827 117.498 115.700 -0.048 0.000 2.606 214 S HA 0.253 4.723 4.470 -0.001 0.000 0.257 214 S C 1.470 175.988 174.600 -0.137 0.000 1.327 214 S CA -0.083 58.073 58.200 -0.073 0.000 0.984 214 S CB 0.534 63.709 63.200 -0.042 0.000 0.941 214 S HN 0.812 nan 8.310 nan 0.000 0.576 215 G N 0.787 109.440 108.800 -0.245 0.000 2.529 215 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.219 215 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.219 215 G C 1.382 176.142 174.900 -0.233 0.000 1.177 215 G CA 0.893 45.663 45.100 -0.549 0.000 0.773 215 G HN 1.087 nan 8.290 nan 0.000 0.573 216 G N 0.517 109.293 108.800 -0.040 0.000 2.403 216 G HA2 0.144 4.103 3.960 -0.001 0.000 0.216 216 G HA3 0.144 4.103 3.960 -0.001 0.000 0.216 216 G C 1.768 176.683 174.900 0.025 0.000 1.154 216 G CA 1.309 46.438 45.100 0.048 0.000 0.784 216 G HN 0.655 nan 8.290 nan 0.000 0.538 217 G N 1.337 110.137 108.800 -0.001 0.000 2.514 217 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.217 217 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.217 217 G C 1.802 176.710 174.900 0.013 0.000 1.198 217 G CA 0.945 46.051 45.100 0.010 0.000 0.780 217 G HN 0.412 nan 8.290 nan 0.000 0.565 218 L N -0.129 121.084 121.223 -0.018 0.000 2.042 218 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 218 L C 2.969 179.860 176.870 0.036 0.000 1.076 218 L CA 1.686 56.522 54.840 -0.007 0.000 0.749 218 L CB -0.544 41.487 42.059 -0.045 0.000 0.893 218 L HN 0.279 nan 8.230 nan 0.000 0.432 219 Q N 0.461 120.292 119.800 0.052 0.000 2.061 219 Q HA -0.206 4.134 4.340 -0.001 0.000 0.204 219 Q C 2.306 178.368 176.000 0.104 0.000 0.984 219 Q CA 1.731 57.598 55.803 0.107 0.000 0.846 219 Q CB -0.049 28.782 28.738 0.154 0.000 0.902 219 Q HN 0.271 nan 8.270 nan 0.000 0.421 220 R N -0.496 120.055 120.500 0.086 0.000 2.081 220 R HA -0.146 4.193 4.340 -0.001 0.000 0.235 220 R C 2.277 178.641 176.300 0.107 0.000 1.131 220 R CA 1.281 57.437 56.100 0.093 0.000 0.960 220 R CB -0.563 29.787 30.300 0.083 0.000 0.856 220 R HN 0.290 nan 8.270 nan 0.000 0.436 221 L N 1.266 122.541 121.223 0.087 0.000 2.012 221 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 221 L C 1.977 178.899 176.870 0.086 0.000 1.073 221 L CA 1.693 56.579 54.840 0.076 0.000 0.748 221 L CB -0.438 41.644 42.059 0.038 0.000 0.891 221 L HN 0.126 nan 8.230 nan 0.000 0.431 222 L N -1.732 119.545 121.223 0.090 0.000 2.017 222 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 222 L C 2.432 179.393 176.870 0.153 0.000 1.073 222 L CA 1.265 56.165 54.840 0.101 0.000 0.745 222 L CB -0.850 41.266 42.059 0.096 0.000 0.894 222 L HN 0.132 nan 8.230 nan 0.000 0.432 223 V N 0.151 120.187 119.914 0.203 0.000 2.343 223 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 223 V C 2.811 179.066 176.094 0.269 0.000 1.051 223 V CA 1.729 64.222 62.300 0.321 0.000 1.036 223 V CB -0.965 31.015 31.823 0.263 0.000 0.654 223 V HN 0.473 nan 8.190 nan 0.000 0.451 224 A N 0.288 123.219 122.820 0.185 0.000 1.892 224 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 224 A C 2.445 180.125 177.584 0.161 0.000 1.188 224 A CA 2.492 54.630 52.037 0.169 0.000 0.631 224 A CB -0.951 18.149 19.000 0.165 0.000 0.822 224 A HN 0.597 nan 8.150 nan 0.000 0.447 225 A N -0.976 121.923 122.820 0.131 0.000 1.933 225 A HA -0.062 4.258 4.320 -0.001 0.000 0.218 225 A C 2.444 180.103 177.584 0.124 0.000 1.175 225 A CA 2.052 54.150 52.037 0.102 0.000 0.628 225 A CB -0.901 18.137 19.000 0.062 0.000 0.814 225 A HN 0.454 nan 8.150 nan 0.000 0.444 226 S N -0.182 115.608 115.700 0.149 0.000 2.359 226 S HA -0.141 4.328 4.470 -0.001 0.000 0.224 226 S C 1.802 176.592 174.600 0.317 0.000 1.035 226 S CA 1.620 59.926 58.200 0.177 0.000 1.018 226 S CB -0.470 62.797 63.200 0.111 0.000 0.876 226 S HN 0.530 nan 8.310 nan 0.000 0.448 227 L N 0.854 122.259 121.223 0.304 0.000 2.191 227 L HA -0.040 4.300 4.340 -0.001 0.000 0.212 227 L C 1.896 178.887 176.870 0.202 0.000 1.103 227 L CA 0.860 55.846 54.840 0.243 0.000 0.769 227 L CB -0.413 41.748 42.059 0.170 0.000 0.908 227 L HN 0.300 nan 8.230 nan 0.000 0.438 228 L N -0.963 120.371 121.223 0.184 0.000 2.446 228 L HA 0.025 4.365 4.340 -0.001 0.000 0.219 228 L C 0.996 177.956 176.870 0.149 0.000 1.116 228 L CA 0.059 54.987 54.840 0.147 0.000 0.844 228 L CB -0.201 41.932 42.059 0.123 0.000 0.970 228 L HN 0.163 nan 8.230 nan 0.000 0.457 229 R N 0.728 121.335 120.500 0.178 0.000 2.490 229 R HA 0.182 4.522 4.340 -0.001 0.000 0.278 229 R C -0.022 176.395 176.300 0.194 0.000 1.069 229 R CA -0.483 55.698 56.100 0.136 0.000 1.080 229 R CB 0.745 31.085 30.300 0.066 0.000 1.030 229 R HN -0.168 nan 8.270 nan 0.000 0.491 230 E N 1.429 121.698 120.200 0.115 0.000 2.229 230 E HA 0.493 4.842 4.350 -0.001 0.000 0.283 230 E C -1.393 175.223 176.600 0.026 0.000 1.030 230 E CA -0.207 56.268 56.400 0.125 0.000 0.836 230 E CB 1.282 31.032 29.700 0.082 0.000 1.068 230 E HN 0.642 nan 8.360 nan 0.000 0.401 231 A N 4.000 126.829 122.820 0.014 0.000 2.586 231 A HA 0.384 4.704 4.320 -0.001 0.000 0.290 231 A C -0.365 177.207 177.584 -0.019 0.000 1.086 231 A CA -0.537 51.388 52.037 -0.187 0.000 0.665 231 A CB 1.015 19.609 19.000 -0.678 0.000 1.279 231 A HN 0.625 nan 8.150 nan 0.000 0.423 232 D N -0.620 119.772 120.400 -0.012 0.000 2.324 232 D HA 0.181 4.821 4.640 -0.001 0.000 0.212 232 D C 0.137 176.587 176.300 0.251 0.000 0.984 232 D CA 1.320 55.410 54.000 0.149 0.000 0.885 232 D CB 0.653 41.541 40.800 0.146 0.000 0.996 232 D HN 0.231 nan 8.370 nan 0.000 0.505 233 V N 1.231 121.187 119.914 0.069 0.000 2.540 233 V HA 0.291 4.411 4.120 -0.001 0.000 0.302 233 V C -1.288 174.766 176.094 -0.066 0.000 1.035 233 V CA -0.784 61.596 62.300 0.133 0.000 0.873 233 V CB 1.629 33.491 31.823 0.065 0.000 0.992 233 V HN -0.031 nan 8.190 nan 0.000 0.428 234 Y N 4.686 125.035 120.300 0.081 0.000 2.326 234 Y HA 0.678 5.227 4.550 -0.001 0.000 0.331 234 Y C -0.102 175.776 175.900 -0.037 0.000 0.962 234 Y CA -0.556 57.547 58.100 0.005 0.000 1.167 234 Y CB 1.768 40.311 38.460 0.138 0.000 1.148 234 Y HN 0.474 nan 8.280 nan 0.000 0.463 235 I N 4.342 124.849 120.570 -0.104 0.000 2.433 235 I HA 0.397 4.566 4.170 -0.001 0.000 0.292 235 I C -1.240 174.751 176.117 -0.210 0.000 1.001 235 I CA -0.660 60.590 61.300 -0.084 0.000 1.119 235 I CB 1.386 39.264 38.000 -0.203 0.000 1.289 235 I HN 0.384 nan 8.210 nan 0.000 0.438 236 F N 3.828 123.842 119.950 0.107 0.000 2.434 236 F HA 0.280 4.807 4.527 -0.001 0.000 0.355 236 F C -0.002 175.840 175.800 0.070 0.000 1.115 236 F CA -0.771 57.298 58.000 0.114 0.000 1.010 236 F CB 1.091 40.143 39.000 0.086 0.000 1.234 236 F HN 0.331 nan 8.300 nan 0.000 0.439 237 D N 4.252 124.784 120.400 0.220 0.000 2.347 237 D HA 0.174 4.814 4.640 -0.001 0.000 0.235 237 D C -0.095 176.247 176.300 0.071 0.000 1.149 237 D CA 0.240 54.310 54.000 0.117 0.000 0.850 237 D CB 0.562 41.446 40.800 0.141 0.000 1.061 237 D HN 0.657 nan 8.370 nan 0.000 0.487 238 Q N 2.481 122.296 119.800 0.025 0.000 2.452 238 Q HA -0.162 4.178 4.340 -0.001 0.000 0.318 238 Q C -1.665 174.365 176.000 0.050 0.000 1.386 238 Q CA 0.265 56.064 55.803 -0.005 0.000 0.872 238 Q CB -0.887 27.835 28.738 -0.027 0.000 1.151 238 Q HN 0.514 nan 8.270 nan 0.000 0.417 239 P HA -0.190 nan 4.420 nan 0.000 0.222 239 P C 1.296 178.632 177.300 0.061 0.000 1.147 239 P CA 1.891 65.056 63.100 0.109 0.000 0.790 239 P CB 0.046 31.803 31.700 0.095 0.000 0.780 240 S N -1.928 113.788 115.700 0.026 0.000 2.522 240 S HA 0.031 4.501 4.470 -0.001 0.000 0.227 240 S C 1.074 175.666 174.600 -0.013 0.000 0.986 240 S CA -0.159 58.049 58.200 0.013 0.000 0.929 240 S CB -1.092 62.116 63.200 0.013 0.000 0.769 240 S HN -0.024 nan 8.310 nan 0.000 0.529 241 S N 1.647 117.327 115.700 -0.033 0.000 2.552 241 S HA 0.251 4.720 4.470 -0.001 0.000 0.289 241 S C -0.061 174.490 174.600 -0.082 0.000 1.304 241 S CA 0.138 58.230 58.200 -0.181 0.000 1.063 241 S CB -0.398 62.645 63.200 -0.262 0.000 0.848 241 S HN 0.594 nan 8.310 nan 0.000 0.499 242 Y N -1.929 118.335 120.300 -0.060 0.000 4.893 242 Y HA -0.247 4.302 4.550 -0.001 0.000 0.257 242 Y C 0.376 176.219 175.900 -0.094 0.000 0.958 242 Y CA 0.210 58.270 58.100 -0.067 0.000 1.897 242 Y CB -2.052 36.396 38.460 -0.021 0.000 1.352 242 Y HN 0.496 nan 8.280 nan 0.000 0.499 243 L N 2.725 123.954 121.223 0.010 0.000 2.305 243 L HA 0.283 4.623 4.340 -0.001 0.000 0.281 243 L C 0.730 177.474 176.870 -0.209 0.000 1.085 243 L CA -0.566 54.245 54.840 -0.049 0.000 0.813 243 L CB 0.612 42.666 42.059 -0.007 0.000 1.157 243 L HN 0.119 nan 8.230 nan 0.000 0.436 244 D N 1.909 122.121 120.400 -0.312 0.000 2.363 244 D HA -0.048 4.592 4.640 -0.001 0.000 0.240 244 D C 1.004 177.239 176.300 -0.108 0.000 1.236 244 D CA -0.420 53.213 54.000 -0.613 0.000 0.927 244 D CB 0.951 41.524 40.800 -0.378 0.000 1.150 244 D HN 0.198 nan 8.370 nan 0.000 0.458 245 V N 0.953 121.006 119.914 0.232 0.000 2.324 245 V HA -0.284 3.835 4.120 -0.001 0.000 0.250 245 V C 2.382 178.641 176.094 0.274 0.000 1.060 245 V CA 2.011 64.507 62.300 0.327 0.000 1.042 245 V CB -0.438 31.614 31.823 0.383 0.000 0.650 245 V HN 0.539 nan 8.190 nan 0.000 0.450 246 R N -0.489 120.161 120.500 0.250 0.000 2.073 246 R HA -0.129 4.211 4.340 -0.001 0.000 0.229 246 R C 2.214 178.541 176.300 0.044 0.000 1.120 246 R CA 1.753 57.929 56.100 0.126 0.000 0.967 246 R CB -0.445 29.903 30.300 0.080 0.000 0.862 246 R HN 0.639 nan 8.270 nan 0.000 0.436 247 E N 0.821 121.040 120.200 0.033 0.000 2.118 247 E HA -0.216 4.133 4.350 -0.001 0.000 0.195 247 E C 2.110 178.711 176.600 0.003 0.000 0.992 247 E CA 1.480 57.884 56.400 0.006 0.000 0.804 247 E CB -0.097 29.602 29.700 -0.003 0.000 0.741 247 E HN 0.403 nan 8.360 nan 0.000 0.458 248 R N 0.208 120.720 120.500 0.019 0.000 2.092 248 R HA -0.071 4.268 4.340 -0.001 0.000 0.231 248 R C 2.126 178.421 176.300 -0.008 0.000 1.119 248 R CA 1.357 57.467 56.100 0.016 0.000 0.970 248 R CB -0.391 29.934 30.300 0.041 0.000 0.864 248 R HN 0.104 nan 8.270 nan 0.000 0.440 249 M N 1.940 121.538 119.600 -0.004 0.000 2.156 249 M HA -0.011 4.468 4.480 -0.001 0.000 0.264 249 M C 1.323 177.533 176.300 -0.149 0.000 1.067 249 M CA 1.562 56.813 55.300 -0.082 0.000 1.131 249 M CB -0.208 32.363 32.600 -0.047 0.000 1.368 249 M HN 0.064 nan 8.290 nan 0.000 0.416 250 N N -0.172 118.472 118.700 -0.094 0.000 2.149 250 N HA -0.185 4.554 4.740 -0.001 0.000 0.188 250 N C 1.674 177.135 175.510 -0.083 0.000 1.019 250 N CA 1.620 54.616 53.050 -0.090 0.000 0.857 250 N CB -0.604 37.850 38.487 -0.055 0.000 0.997 250 N HN 0.437 nan 8.380 nan 0.000 0.426 251 M N 0.769 120.330 119.600 -0.065 0.000 2.132 251 M HA -0.004 4.476 4.480 -0.001 0.000 0.263 251 M C 1.771 178.010 176.300 -0.101 0.000 1.065 251 M CA 1.338 56.599 55.300 -0.066 0.000 1.122 251 M CB -0.516 32.058 32.600 -0.043 0.000 1.365 251 M HN 0.112 nan 8.290 nan 0.000 0.411 252 A N 1.064 123.822 122.820 -0.103 0.000 1.902 252 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 252 A C 2.129 179.698 177.584 -0.025 0.000 1.181 252 A CA 1.937 53.937 52.037 -0.062 0.000 0.623 252 A CB -0.595 18.376 19.000 -0.049 0.000 0.818 252 A HN 0.653 nan 8.150 nan 0.000 0.443 253 K N -0.200 120.076 120.400 -0.207 0.000 2.057 253 K HA -0.064 4.256 4.320 -0.001 0.000 0.207 253 K C 2.316 178.931 176.600 0.025 0.000 1.049 253 K CA 1.154 57.398 56.287 -0.072 0.000 0.931 253 K CB -0.356 32.049 32.500 -0.159 0.000 0.714 253 K HN 0.433 nan 8.250 nan 0.000 0.440 254 A N 1.695 124.495 122.820 -0.032 0.000 1.877 254 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 254 A C 2.168 179.727 177.584 -0.042 0.000 1.186 254 A CA 1.248 53.268 52.037 -0.028 0.000 0.620 254 A CB -0.573 18.408 19.000 -0.032 0.000 0.822 254 A HN 0.162 nan 8.150 nan 0.000 0.443 255 I N -1.280 119.234 120.570 -0.093 0.000 2.252 255 I HA -0.221 3.949 4.170 -0.001 0.000 0.245 255 I C 2.696 178.764 176.117 -0.083 0.000 1.102 255 I CA 1.699 62.900 61.300 -0.166 0.000 1.385 255 I CB -0.279 37.494 38.000 -0.378 0.000 1.064 255 I HN 0.290 nan 8.210 nan 0.000 0.414 256 R N 1.187 121.686 120.500 -0.001 0.000 2.081 256 R HA -0.210 4.129 4.340 -0.001 0.000 0.235 256 R C 2.211 178.518 176.300 0.012 0.000 1.131 256 R CA 1.701 57.815 56.100 0.023 0.000 0.960 256 R CB -0.255 30.118 30.300 0.120 0.000 0.856 256 R HN 0.367 nan 8.270 nan 0.000 0.436 257 E N -0.339 119.879 120.200 0.031 0.000 2.107 257 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 257 E C 1.295 177.887 176.600 -0.013 0.000 0.982 257 E CA 0.975 57.384 56.400 0.016 0.000 0.809 257 E CB 0.115 29.830 29.700 0.025 0.000 0.756 257 E HN 0.395 nan 8.360 nan 0.000 0.459 258 L N 0.372 121.576 121.223 -0.032 0.000 2.607 258 L HA 0.158 4.497 4.340 -0.001 0.000 0.228 258 L C 0.955 177.766 176.870 -0.098 0.000 1.123 258 L CA 0.001 54.812 54.840 -0.048 0.000 0.890 258 L CB 0.492 42.531 42.059 -0.034 0.000 1.103 258 L HN 0.094 nan 8.230 nan 0.000 0.468 259 L N 0.721 121.878 121.223 -0.111 0.000 3.209 259 L HA 0.200 4.539 4.340 -0.001 0.000 0.279 259 L C 0.125 176.941 176.870 -0.089 0.000 1.301 259 L CA -0.404 54.336 54.840 -0.165 0.000 1.004 259 L CB 0.087 42.005 42.059 -0.237 0.000 1.402 259 L HN 0.134 nan 8.230 nan 0.000 0.577 260 K N -0.649 119.715 120.400 -0.059 0.000 2.469 260 K HA 0.115 4.435 4.320 -0.001 0.000 0.274 260 K C 0.205 176.785 176.600 -0.034 0.000 0.983 260 K CA -0.405 55.857 56.287 -0.041 0.000 0.974 260 K CB 0.089 32.570 32.500 -0.031 0.000 0.913 260 K HN 0.051 nan 8.250 nan 0.000 0.493 261 N N 0.467 119.144 118.700 -0.039 0.000 2.735 261 N HA -0.151 4.588 4.740 -0.001 0.000 0.248 261 N C -1.314 174.175 175.510 -0.035 0.000 1.083 261 N CA 1.155 54.178 53.050 -0.044 0.000 0.703 261 N CB -0.724 37.747 38.487 -0.027 0.000 1.005 261 N HN 0.623 nan 8.380 nan 0.000 0.550 262 K N -0.161 120.224 120.400 -0.025 0.000 2.395 262 K HA 0.378 4.697 4.320 -0.001 0.000 0.247 262 K C -0.278 176.326 176.600 0.008 0.000 0.973 262 K CA -0.597 55.721 56.287 0.051 0.000 0.828 262 K CB 0.910 33.508 32.500 0.165 0.000 1.272 262 K HN -0.034 nan 8.250 nan 0.000 0.439 263 Y N 0.413 120.793 120.300 0.132 0.000 2.402 263 Y HA 0.184 4.734 4.550 -0.001 0.000 0.333 263 Y C 0.376 176.358 175.900 0.137 0.000 1.076 263 Y CA -0.134 58.023 58.100 0.095 0.000 1.299 263 Y CB 0.706 39.221 38.460 0.091 0.000 1.197 263 Y HN 0.029 nan 8.280 nan 0.000 0.517 264 V N 6.003 126.062 119.914 0.242 0.000 2.638 264 V HA 0.467 4.587 4.120 -0.001 0.000 0.306 264 V C -0.544 175.644 176.094 0.156 0.000 1.052 264 V CA -0.958 61.483 62.300 0.234 0.000 0.885 264 V CB 1.827 33.767 31.823 0.195 0.000 0.999 264 V HN 0.455 nan 8.190 nan 0.000 0.424 265 I N 4.541 125.200 120.570 0.147 0.000 2.465 265 I HA 0.649 4.819 4.170 -0.001 0.000 0.291 265 I C -0.494 175.705 176.117 0.136 0.000 1.014 265 I CA -0.660 60.683 61.300 0.072 0.000 1.093 265 I CB 2.040 40.018 38.000 -0.036 0.000 1.267 265 I HN 0.414 nan 8.210 nan 0.000 0.431 266 V N 7.299 127.272 119.914 0.098 0.000 2.656 266 V HA 0.648 4.767 4.120 -0.001 0.000 0.307 266 V C -1.056 175.055 176.094 0.027 0.000 1.051 266 V CA -0.527 61.837 62.300 0.106 0.000 0.893 266 V CB 2.309 34.179 31.823 0.079 0.000 0.999 266 V HN 0.445 nan 8.190 nan 0.000 0.426 267 V N 5.754 125.673 119.914 0.009 0.000 2.459 267 V HA 0.687 4.806 4.120 -0.001 0.000 0.295 267 V C -0.598 175.419 176.094 -0.128 0.000 1.029 267 V CA -0.204 62.050 62.300 -0.077 0.000 0.874 267 V CB 1.795 33.565 31.823 -0.089 0.000 0.985 267 V HN 1.085 nan 8.190 nan 0.000 0.438 268 D N 0.303 120.570 120.400 -0.222 0.000 2.623 268 D HA 0.405 5.045 4.640 -0.001 0.000 0.241 268 D C 0.124 176.200 176.300 -0.373 0.000 1.241 268 D CA -0.450 53.394 54.000 -0.261 0.000 0.788 268 D CB 1.414 42.154 40.800 -0.100 0.000 1.413 268 D HN 0.551 nan 8.370 nan 0.000 0.429 269 H N 0.258 119.301 119.070 -0.045 0.000 2.575 269 H HA 0.121 4.677 4.556 -0.001 0.000 0.267 269 H C -0.240 175.074 175.328 -0.023 0.000 0.966 269 H CA 0.258 56.274 56.048 -0.053 0.000 1.165 269 H CB 0.526 30.260 29.762 -0.047 0.000 1.433 269 H HN 0.306 nan 8.280 nan 0.000 0.544 270 D N 1.208 121.647 120.400 0.066 0.000 2.347 270 D HA 0.049 4.689 4.640 -0.001 0.000 0.235 270 D C 1.229 177.568 176.300 0.065 0.000 1.149 270 D CA -0.229 53.819 54.000 0.080 0.000 0.850 270 D CB 1.139 41.983 40.800 0.073 0.000 1.061 270 D HN 0.120 nan 8.370 nan 0.000 0.487 271 L N 3.948 125.234 121.223 0.105 0.000 2.093 271 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 271 L C 2.143 179.027 176.870 0.023 0.000 1.085 271 L CA 0.419 55.290 54.840 0.051 0.000 0.755 271 L CB -0.166 41.944 42.059 0.085 0.000 0.904 271 L HN 0.534 nan 8.230 nan 0.000 0.435 272 I N -0.543 120.059 120.570 0.052 0.000 2.226 272 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 272 I C 2.589 178.747 176.117 0.068 0.000 1.100 272 I CA 1.266 62.580 61.300 0.023 0.000 1.374 272 I CB -0.922 37.126 38.000 0.079 0.000 1.057 272 I HN 0.043 nan 8.210 nan 0.000 0.413 273 V N 0.901 120.861 119.914 0.075 0.000 2.295 273 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 273 V C 2.631 178.764 176.094 0.066 0.000 1.049 273 V CA 1.485 63.829 62.300 0.073 0.000 1.024 273 V CB -0.434 31.414 31.823 0.042 0.000 0.648 273 V HN 0.314 nan 8.190 nan 0.000 0.447 274 L N -0.070 121.166 121.223 0.023 0.000 2.042 274 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 274 L C 2.536 179.405 176.870 -0.002 0.000 1.076 274 L CA 2.167 57.005 54.840 -0.003 0.000 0.749 274 L CB -0.770 41.267 42.059 -0.037 0.000 0.893 274 L HN 0.483 nan 8.230 nan 0.000 0.432 275 D N -0.573 119.823 120.400 -0.006 0.000 2.123 275 D HA -0.284 4.355 4.640 -0.001 0.000 0.196 275 D C 2.054 178.350 176.300 -0.007 0.000 0.992 275 D CA 1.502 55.482 54.000 -0.034 0.000 0.833 275 D CB 0.053 40.805 40.800 -0.080 0.000 0.954 275 D HN 0.347 nan 8.370 nan 0.000 0.455 276 Y N 0.261 120.532 120.300 -0.048 0.000 2.220 276 Y HA -0.117 4.432 4.550 -0.001 0.000 0.291 276 Y C 2.136 178.016 175.900 -0.034 0.000 1.129 276 Y CA 0.876 58.959 58.100 -0.028 0.000 1.161 276 Y CB -0.221 38.238 38.460 -0.001 0.000 0.997 276 Y HN -0.034 nan 8.280 nan 0.000 0.522 277 L N -0.148 121.111 121.223 0.060 0.000 2.131 277 L HA 0.024 4.364 4.340 -0.001 0.000 0.206 277 L C 1.023 177.850 176.870 -0.072 0.000 1.087 277 L CA 1.530 56.373 54.840 0.006 0.000 0.767 277 L CB -0.957 41.120 42.059 0.029 0.000 0.917 277 L HN 0.332 nan 8.230 nan 0.000 0.441 278 T N -4.344 110.171 114.554 -0.064 0.000 2.867 278 T HA 0.255 4.604 4.350 -0.001 0.000 0.282 278 T C 0.497 175.160 174.700 -0.062 0.000 1.000 278 T CA -0.713 61.359 62.100 -0.046 0.000 1.042 278 T CB 1.498 70.352 68.868 -0.023 0.000 0.973 278 T HN 0.063 nan 8.240 nan 0.000 0.465 279 D N 1.193 121.565 120.400 -0.045 0.000 2.323 279 D HA 0.209 4.849 4.640 -0.001 0.000 0.218 279 D C 0.524 176.807 176.300 -0.028 0.000 0.973 279 D CA 0.489 54.462 54.000 -0.045 0.000 0.890 279 D CB 0.540 41.314 40.800 -0.042 0.000 1.011 279 D HN 0.420 nan 8.370 nan 0.000 0.499 280 L N 0.890 122.106 121.223 -0.012 0.000 2.354 280 L HA 0.452 4.792 4.340 -0.001 0.000 0.264 280 L C -0.796 176.085 176.870 0.017 0.000 1.008 280 L CA -0.732 54.105 54.840 -0.005 0.000 0.819 280 L CB 3.031 45.087 42.059 -0.004 0.000 1.339 280 L HN -0.219 nan 8.230 nan 0.000 0.420 281 I N 0.934 121.514 120.570 0.016 0.000 2.512 281 I HA 0.307 4.477 4.170 -0.001 0.000 0.287 281 I C -0.850 175.293 176.117 0.043 0.000 1.069 281 I CA -0.485 60.855 61.300 0.065 0.000 1.056 281 I CB 1.849 39.894 38.000 0.075 0.000 1.229 281 I HN 0.591 nan 8.210 nan 0.000 0.429 282 H N 5.397 124.506 119.070 0.066 0.000 2.502 282 H HA 0.602 5.158 4.556 -0.001 0.000 0.338 282 H C -0.276 175.143 175.328 0.152 0.000 1.155 282 H CA -0.277 55.826 56.048 0.092 0.000 1.237 282 H CB 2.009 31.789 29.762 0.030 0.000 1.534 282 H HN 0.385 nan 8.280 nan 0.000 0.523 283 I N 3.345 124.131 120.570 0.359 0.000 2.412 283 I HA 0.261 4.431 4.170 -0.001 0.000 0.296 283 I C -0.297 176.035 176.117 0.358 0.000 0.987 283 I CA -0.441 61.055 61.300 0.327 0.000 1.180 283 I CB 1.288 39.499 38.000 0.352 0.000 1.340 283 I HN 0.326 nan 8.210 nan 0.000 0.455 284 I N 6.760 127.493 120.570 0.273 0.000 2.354 284 I HA 0.333 4.503 4.170 -0.001 0.000 0.292 284 I C -0.738 175.546 176.117 0.278 0.000 0.989 284 I CA -0.698 60.732 61.300 0.216 0.000 1.188 284 I CB 0.943 39.026 38.000 0.139 0.000 1.342 284 I HN 0.494 nan 8.210 nan 0.000 0.457 285 Y N 3.919 124.320 120.300 0.168 0.000 2.665 285 Y HA 0.994 5.543 4.550 -0.001 0.000 0.336 285 Y C 0.251 176.195 175.900 0.073 0.000 1.085 285 Y CA -0.791 57.389 58.100 0.133 0.000 1.096 285 Y CB 1.388 39.936 38.460 0.147 0.000 1.301 285 Y HN 0.759 nan 8.280 nan 0.000 0.493 286 G N 0.677 109.535 108.800 0.096 0.000 2.292 286 G HA2 0.285 4.245 3.960 -0.001 0.000 0.194 286 G HA3 0.285 4.245 3.960 -0.001 0.000 0.194 286 G C -1.861 172.844 174.900 -0.324 0.000 1.329 286 G CA -0.633 44.239 45.100 -0.381 0.000 1.100 286 G HN 0.789 nan 8.290 nan 0.000 0.470 287 E N 0.466 120.330 120.200 -0.561 0.000 2.244 287 E HA 0.650 5.000 4.350 -0.001 0.000 0.260 287 E C -0.092 176.472 176.600 -0.060 0.000 0.884 287 E CA -0.296 55.990 56.400 -0.190 0.000 0.777 287 E CB 1.416 31.063 29.700 -0.088 0.000 1.197 287 E HN 0.612 nan 8.360 nan 0.000 0.416 288 S N 2.681 118.388 115.700 0.012 0.000 2.593 288 S HA -0.005 4.464 4.470 -0.001 0.000 0.300 288 S C 0.624 175.277 174.600 0.088 0.000 1.267 288 S CA 0.913 59.139 58.200 0.044 0.000 1.065 288 S CB 0.191 63.404 63.200 0.022 0.000 0.807 288 S HN 0.754 nan 8.310 nan 0.000 0.499 289 S N 0.164 115.938 115.700 0.122 0.000 2.608 289 S HA -0.183 4.286 4.470 -0.001 0.000 0.256 289 S C 1.017 175.828 174.600 0.352 0.000 1.270 289 S CA 1.191 59.497 58.200 0.177 0.000 1.465 289 S CB -1.253 62.002 63.200 0.092 0.000 1.833 289 S HN 0.567 nan 8.310 nan 0.000 0.641 290 V N -0.884 119.239 119.914 0.347 0.000 2.854 290 V HA 0.406 4.526 4.120 -0.001 0.000 0.236 290 V C 0.202 176.474 176.094 0.297 0.000 1.157 290 V CA 1.475 63.952 62.300 0.295 0.000 1.187 290 V CB 0.112 32.084 31.823 0.250 0.000 0.949 290 V HN 0.716 nan 8.190 nan 0.000 0.488 291 Y N -1.352 119.058 120.300 0.184 0.000 2.604 291 Y HA 0.792 5.341 4.550 -0.001 0.000 0.331 291 Y C -0.643 175.392 175.900 0.225 0.000 1.158 291 Y CA -0.678 57.401 58.100 -0.036 0.000 1.056 291 Y CB 1.111 39.627 38.460 0.092 0.000 1.330 291 Y HN 0.081 nan 8.280 nan 0.000 0.457 292 G N 2.252 111.168 108.800 0.193 0.000 2.571 292 G HA2 0.710 4.670 3.960 -0.001 0.000 0.304 292 G HA3 0.710 4.670 3.960 -0.001 0.000 0.304 292 G C -1.845 173.198 174.900 0.237 0.000 1.314 292 G CA -1.466 43.752 45.100 0.197 0.000 0.975 292 G HN 0.696 nan 8.290 nan 0.000 0.485 293 R N 0.915 121.383 120.500 -0.054 0.000 2.513 293 R HA 0.436 4.775 4.340 -0.001 0.000 0.301 293 R C -0.979 175.195 176.300 -0.211 0.000 0.968 293 R CA -0.677 55.322 56.100 -0.168 0.000 0.872 293 R CB 2.572 32.486 30.300 -0.643 0.000 1.177 293 R HN 0.351 nan 8.270 nan 0.000 0.444 294 V N 3.317 123.247 119.914 0.027 0.000 2.432 294 V HA 0.078 4.197 4.120 -0.001 0.000 0.271 294 V C 0.922 177.146 176.094 0.217 0.000 1.046 294 V CA -0.325 62.043 62.300 0.113 0.000 0.945 294 V CB 1.097 32.955 31.823 0.059 0.000 0.992 294 V HN 0.919 nan 8.190 nan 0.000 0.471 295 S N 5.328 121.242 115.700 0.355 0.000 2.617 295 S HA 0.293 4.763 4.470 -0.001 0.000 0.259 295 S C 0.207 174.942 174.600 0.224 0.000 1.301 295 S CA -0.622 57.793 58.200 0.359 0.000 0.984 295 S CB 0.510 63.971 63.200 0.435 0.000 0.954 295 S HN 0.847 nan 8.310 nan 0.000 0.572 296 K N 0.194 120.585 120.400 -0.015 0.000 2.156 296 K HA 0.243 4.562 4.320 -0.001 0.000 0.242 296 K C 0.209 176.328 176.600 -0.802 0.000 1.033 296 K CA -0.453 55.695 56.287 -0.231 0.000 0.878 296 K CB 0.052 32.413 32.500 -0.232 0.000 1.057 296 K HN 0.445 nan 8.250 nan 0.000 0.505 297 S N 0.254 115.466 115.700 -0.814 0.000 2.564 297 S HA 0.215 4.684 4.470 -0.001 0.000 0.278 297 S C -1.298 172.781 174.600 -0.868 0.000 1.333 297 S CA -0.477 57.104 58.200 -1.030 0.000 1.048 297 S CB -0.152 62.765 63.200 -0.473 0.000 0.900 297 S HN 0.423 nan 8.310 nan 0.000 0.505 298 Y N 0.979 121.118 120.300 -0.269 0.000 2.570 298 Y HA 0.611 5.160 4.550 -0.001 0.000 0.345 298 Y C 0.493 176.325 175.900 -0.113 0.000 1.014 298 Y CA -1.101 56.915 58.100 -0.141 0.000 1.063 298 Y CB 1.150 39.545 38.460 -0.108 0.000 1.272 298 Y HN 0.786 nan 8.280 nan 0.000 0.477 299 A N 0.950 123.825 122.820 0.092 0.000 2.531 299 A HA 0.403 4.722 4.320 -0.001 0.000 0.236 299 A C 1.377 178.977 177.584 0.026 0.000 1.062 299 A CA 0.389 52.443 52.037 0.028 0.000 0.760 299 A CB -0.250 18.755 19.000 0.008 0.000 0.995 299 A HN 1.119 nan 8.150 nan 0.000 0.501 300 A N 1.905 124.722 122.820 -0.005 0.000 1.917 300 A HA -0.207 4.113 4.320 -0.001 0.000 0.219 300 A C 2.202 179.764 177.584 -0.036 0.000 1.182 300 A CA 2.001 54.029 52.037 -0.016 0.000 0.633 300 A CB -0.516 18.462 19.000 -0.036 0.000 0.819 300 A HN 0.987 nan 8.150 nan 0.000 0.448 301 R N -0.323 120.146 120.500 -0.051 0.000 2.083 301 R HA -0.120 4.219 4.340 -0.001 0.000 0.237 301 R C 1.873 178.121 176.300 -0.087 0.000 1.137 301 R CA 2.064 58.120 56.100 -0.073 0.000 0.951 301 R CB -0.525 29.732 30.300 -0.072 0.000 0.851 301 R HN 0.291 nan 8.270 nan 0.000 0.434 302 V N 0.611 120.479 119.914 -0.078 0.000 2.358 302 V HA -0.131 3.988 4.120 -0.001 0.000 0.246 302 V C 2.465 178.430 176.094 -0.215 0.000 1.047 302 V CA 2.006 64.226 62.300 -0.133 0.000 1.035 302 V CB -0.894 30.875 31.823 -0.091 0.000 0.658 302 V HN 0.690 nan 8.190 nan 0.000 0.452 303 G N -0.121 108.614 108.800 -0.110 0.000 2.402 303 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.216 303 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.216 303 G C 1.595 176.460 174.900 -0.059 0.000 1.162 303 G CA 0.971 46.021 45.100 -0.082 0.000 0.777 303 G HN 0.476 nan 8.290 nan 0.000 0.539 304 I N 1.044 121.589 120.570 -0.042 0.000 2.179 304 I HA -0.170 4.000 4.170 -0.001 0.000 0.242 304 I C 2.522 178.626 176.117 -0.023 0.000 1.088 304 I CA 0.881 62.175 61.300 -0.011 0.000 1.357 304 I CB -0.239 37.731 38.000 -0.049 0.000 1.051 304 I HN 0.042 nan 8.210 nan 0.000 0.409 305 N N 1.133 119.766 118.700 -0.110 0.000 2.094 305 N HA -0.202 4.538 4.740 -0.001 0.000 0.191 305 N C 1.479 176.846 175.510 -0.238 0.000 1.023 305 N CA 1.553 54.505 53.050 -0.163 0.000 0.857 305 N CB -0.763 37.619 38.487 -0.174 0.000 1.013 305 N HN 0.481 nan 8.380 nan 0.000 0.426 306 N N -0.351 118.184 118.700 -0.275 0.000 2.120 306 N HA -0.136 4.604 4.740 -0.001 0.000 0.188 306 N C 1.562 176.900 175.510 -0.286 0.000 1.024 306 N CA 0.638 53.462 53.050 -0.377 0.000 0.852 306 N CB -0.220 37.979 38.487 -0.480 0.000 1.003 306 N HN 0.160 nan 8.380 nan 0.000 0.424 307 F N 2.123 121.936 119.950 -0.230 0.000 2.095 307 F HA -0.126 4.400 4.527 -0.001 0.000 0.298 307 F C 1.855 177.537 175.800 -0.196 0.000 1.104 307 F CA 1.265 59.167 58.000 -0.162 0.000 1.232 307 F CB -0.408 38.533 39.000 -0.099 0.000 0.987 307 F HN -0.058 nan 8.300 nan 0.000 0.475 308 L N 0.234 121.193 121.223 -0.441 0.000 2.042 308 L HA -0.237 4.102 4.340 -0.001 0.000 0.210 308 L C 2.464 179.062 176.870 -0.454 0.000 1.076 308 L CA 1.686 56.231 54.840 -0.492 0.000 0.749 308 L CB -0.748 41.185 42.059 -0.210 0.000 0.893 308 L HN 0.120 nan 8.230 nan 0.000 0.432 309 K N -0.179 119.956 120.400 -0.441 0.000 2.217 309 K HA -0.017 4.302 4.320 -0.001 0.000 0.202 309 K C 1.293 177.647 176.600 -0.409 0.000 1.051 309 K CA 0.757 56.753 56.287 -0.485 0.000 0.952 309 K CB -0.104 31.863 32.500 -0.888 0.000 0.736 309 K HN 0.454 nan 8.250 nan 0.000 0.453 310 G N 1.049 109.589 108.800 -0.434 0.000 2.147 310 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.244 310 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.244 310 G C -0.285 174.575 174.900 -0.066 0.000 1.005 310 G CA 0.844 45.795 45.100 -0.247 0.000 0.713 310 G HN 0.436 nan 8.290 nan 0.000 0.515 311 Y N -3.017 117.183 120.300 -0.167 0.000 2.670 311 Y HA 0.750 5.299 4.550 -0.001 0.000 0.334 311 Y C -0.571 175.235 175.900 -0.157 0.000 1.185 311 Y CA -2.239 55.770 58.100 -0.152 0.000 1.053 311 Y CB 1.027 39.416 38.460 -0.118 0.000 1.298 311 Y HN 0.085 nan 8.280 nan 0.000 0.459 312 L N 2.644 123.900 121.223 0.055 0.000 2.313 312 L HA 0.433 4.772 4.340 -0.001 0.000 0.273 312 L C -2.103 174.832 176.870 0.109 0.000 1.028 312 L CA -1.806 53.028 54.840 -0.011 0.000 0.871 312 L CB 1.433 43.508 42.059 0.027 0.000 1.242 312 L HN 0.460 nan 8.230 nan 0.000 0.434 313 P HA -0.200 nan 4.420 nan 0.000 0.216 313 P C 1.266 178.622 177.300 0.094 0.000 1.153 313 P CA 1.132 64.325 63.100 0.155 0.000 0.858 313 P CB 0.357 32.111 31.700 0.090 0.000 0.789 314 A N -0.208 122.669 122.820 0.094 0.000 2.259 314 A HA -0.034 4.285 4.320 -0.001 0.000 0.208 314 A C 1.205 178.853 177.584 0.107 0.000 1.201 314 A CA 0.643 52.745 52.037 0.108 0.000 0.824 314 A CB -0.738 18.356 19.000 0.157 0.000 0.838 314 A HN 0.332 nan 8.150 nan 0.000 0.485 315 E N -1.746 118.514 120.200 0.099 0.000 2.858 315 E HA 0.065 4.415 4.350 -0.001 0.000 0.195 315 E C -0.525 176.108 176.600 0.055 0.000 0.952 315 E CA -0.436 56.013 56.400 0.082 0.000 1.294 315 E CB -0.795 28.969 29.700 0.106 0.000 1.048 315 E HN 0.134 nan 8.360 nan 0.000 0.485 316 N N 0.610 119.336 118.700 0.042 0.000 2.758 316 N HA -0.190 4.550 4.740 -0.001 0.000 0.248 316 N C -1.132 174.380 175.510 0.004 0.000 1.076 316 N CA 1.269 54.326 53.050 0.012 0.000 0.696 316 N CB -1.092 37.398 38.487 0.006 0.000 0.979 316 N HN 0.477 nan 8.380 nan 0.000 0.550 317 M N 0.163 119.770 119.600 0.011 0.000 2.090 317 M HA 0.334 4.814 4.480 -0.001 0.000 0.277 317 M C -0.733 175.550 176.300 -0.028 0.000 0.935 317 M CA -0.633 54.652 55.300 -0.024 0.000 0.966 317 M CB 1.177 33.744 32.600 -0.055 0.000 1.635 317 M HN 0.053 nan 8.290 nan 0.000 0.446 318 K N 4.505 124.894 120.400 -0.018 0.000 2.312 318 K HA 0.375 4.694 4.320 -0.001 0.000 0.287 318 K C 0.673 177.255 176.600 -0.031 0.000 1.062 318 K CA 0.002 56.297 56.287 0.013 0.000 0.934 318 K CB 0.266 32.763 32.500 -0.006 0.000 1.027 318 K HN 0.818 nan 8.250 nan 0.000 0.478 319 I N 0.664 121.202 120.570 -0.054 0.000 4.018 319 I HA 0.321 4.490 4.170 -0.001 0.000 0.337 319 I C 0.092 176.219 176.117 0.017 0.000 1.327 319 I CA -0.395 60.866 61.300 -0.065 0.000 1.100 319 I CB 0.301 38.206 38.000 -0.159 0.000 1.025 319 I HN 0.380 nan 8.210 nan 0.000 0.396 320 R N 1.335 121.837 120.500 0.004 0.000 2.736 320 R HA 0.269 4.608 4.340 -0.001 0.000 0.250 320 R C -2.386 173.912 176.300 -0.004 0.000 1.098 320 R CA -0.800 55.299 56.100 -0.003 0.000 0.978 320 R CB 1.619 31.885 30.300 -0.056 0.000 1.263 320 R HN -0.225 nan 8.270 nan 0.000 0.460 321 P HA -0.069 nan 4.420 nan 0.000 0.219 321 P C -0.568 176.728 177.300 -0.006 0.000 1.150 321 P CA 1.174 64.273 63.100 -0.001 0.000 0.814 321 P CB 0.097 31.796 31.700 -0.002 0.000 0.787 322 D N -1.615 118.772 120.400 -0.022 0.000 2.493 322 D HA 0.332 4.971 4.640 -0.001 0.000 0.239 322 D C -0.511 175.750 176.300 -0.065 0.000 1.049 322 D CA -1.005 52.979 54.000 -0.025 0.000 1.008 322 D CB 0.934 41.723 40.800 -0.018 0.000 1.398 322 D HN -0.043 nan 8.370 nan 0.000 0.513 323 E N -0.116 120.054 120.200 -0.050 0.000 2.343 323 E HA 0.382 4.732 4.350 -0.001 0.000 0.269 323 E C -0.256 176.275 176.600 -0.115 0.000 1.047 323 E CA -0.607 55.733 56.400 -0.100 0.000 0.874 323 E CB 1.562 31.234 29.700 -0.046 0.000 1.033 323 E HN 0.379 nan 8.360 nan 0.000 0.409 324 I N 3.264 123.705 120.570 -0.215 0.000 2.307 324 I HA 0.117 4.287 4.170 -0.001 0.000 0.289 324 I C 0.080 176.099 176.117 -0.164 0.000 1.021 324 I CA -0.441 60.691 61.300 -0.280 0.000 1.224 324 I CB 0.379 38.037 38.000 -0.569 0.000 1.376 324 I HN 0.297 nan 8.210 nan 0.000 0.470 325 K N 6.299 126.686 120.400 -0.022 0.000 2.323 325 K HA 0.563 4.883 4.320 -0.001 0.000 0.259 325 K C -1.388 175.285 176.600 0.122 0.000 0.947 325 K CA -0.568 55.767 56.287 0.081 0.000 0.819 325 K CB 1.782 34.323 32.500 0.070 0.000 1.109 325 K HN 0.154 nan 8.250 nan 0.000 0.429 326 F N 2.629 122.646 119.950 0.113 0.000 2.399 326 F HA 0.373 4.900 4.527 -0.001 0.000 0.328 326 F C 0.800 176.662 175.800 0.104 0.000 1.084 326 F CA -0.723 57.374 58.000 0.162 0.000 1.053 326 F CB 1.240 40.305 39.000 0.109 0.000 1.209 326 F HN 0.626 nan 8.300 nan 0.000 0.502 327 M N 2.370 122.143 119.600 0.289 0.000 2.350 327 M HA -0.201 4.279 4.480 -0.001 0.000 0.190 327 M C -1.521 174.846 176.300 0.111 0.000 0.710 327 M CA 0.341 55.747 55.300 0.177 0.000 0.495 327 M CB -1.495 31.200 32.600 0.159 0.000 1.136 327 M HN 0.217 nan 8.290 nan 0.000 0.901 328 L N -0.033 121.238 121.223 0.080 0.000 2.303 328 L HA 0.767 5.106 4.340 -0.001 0.000 0.266 328 L C 0.516 177.398 176.870 0.020 0.000 1.011 328 L CA -0.292 54.574 54.840 0.044 0.000 0.818 328 L CB 1.866 43.946 42.059 0.035 0.000 1.326 328 L HN 0.536 nan 8.230 nan 0.000 0.435 341 K N 2.162 122.566 120.400 0.006 0.000 2.436 341 K HA 0.124 4.444 4.320 -0.001 0.000 0.282 341 K C -0.081 176.527 176.600 0.014 0.000 1.044 341 K CA 0.457 56.750 56.287 0.010 0.000 1.028 341 K CB 0.589 33.098 32.500 0.015 0.000 0.919 341 K HN -0.063 nan 8.250 nan 0.000 0.474 342 T N 3.997 118.558 114.554 0.012 0.000 2.769 342 T HA 0.010 4.359 4.350 -0.001 0.000 0.293 342 T C 1.195 175.918 174.700 0.039 0.000 0.931 342 T CA -0.098 62.012 62.100 0.018 0.000 1.139 342 T CB 0.550 69.419 68.868 0.001 0.000 0.881 342 T HN 0.480 nan 8.240 nan 0.000 0.532 343 K N 3.089 123.525 120.400 0.061 0.000 2.211 343 K HA 0.162 4.482 4.320 -0.001 0.000 0.201 343 K C 0.710 177.376 176.600 0.109 0.000 1.052 343 K CA 0.693 57.027 56.287 0.078 0.000 0.973 343 K CB 0.225 32.774 32.500 0.083 0.000 0.766 343 K HN 0.734 nan 8.250 nan 0.000 0.466 344 M N 0.049 119.742 119.600 0.154 0.000 2.520 344 M HA 0.376 4.856 4.480 -0.001 0.000 0.283 344 M C -1.579 174.858 176.300 0.228 0.000 1.237 344 M CA -1.066 54.367 55.300 0.221 0.000 0.885 344 M CB 2.326 35.118 32.600 0.320 0.000 1.727 344 M HN -0.229 nan 8.290 nan 0.000 0.468 345 K N 0.693 121.224 120.400 0.218 0.000 2.409 345 K HA 0.923 5.242 4.320 -0.001 0.000 0.252 345 K C -2.065 174.743 176.600 0.347 0.000 1.036 345 K CA -0.734 55.611 56.287 0.096 0.000 0.871 345 K CB 2.257 34.736 32.500 -0.035 0.000 1.374 345 K HN 0.969 nan 8.250 nan 0.000 0.459 346 W N -0.463 120.889 121.300 0.086 0.000 3.425 346 W HA 0.345 5.004 4.660 -0.001 0.000 0.318 346 W C -0.500 176.048 176.519 0.050 0.000 1.201 346 W CA -0.948 56.446 57.345 0.080 0.000 1.212 346 W CB 0.438 29.977 29.460 0.132 0.000 1.355 346 W HN 0.821 nan 8.180 nan 0.000 0.515 347 T N -0.864 113.806 114.554 0.194 0.000 2.667 347 T HA 0.160 4.510 4.350 -0.001 0.000 0.305 347 T C 0.313 175.117 174.700 0.173 0.000 1.022 347 T CA -0.481 61.685 62.100 0.110 0.000 0.995 347 T CB 0.674 69.587 68.868 0.075 0.000 1.026 347 T HN 0.693 nan 8.240 nan 0.000 0.527 348 K N 0.217 120.668 120.400 0.084 0.000 2.524 348 K HA 0.160 4.480 4.320 -0.001 0.000 0.279 348 K C -0.646 176.006 176.600 0.087 0.000 0.993 348 K CA 0.169 56.497 56.287 0.069 0.000 1.030 348 K CB -0.165 32.344 32.500 0.014 0.000 0.891 348 K HN 0.509 nan 8.250 nan 0.000 0.488 349 I N 6.193 126.807 120.570 0.073 0.000 2.418 349 I HA 0.274 4.444 4.170 -0.001 0.000 0.287 349 I C -0.592 175.532 176.117 0.011 0.000 1.008 349 I CA -0.943 60.397 61.300 0.065 0.000 1.104 349 I CB 1.446 39.517 38.000 0.118 0.000 1.264 349 I HN 0.421 nan 8.210 nan 0.000 0.438 350 I N 5.728 126.305 120.570 0.012 0.000 2.433 350 I HA 0.501 4.670 4.170 -0.001 0.000 0.292 350 I C -0.370 175.747 176.117 -0.000 0.000 1.001 350 I CA -0.838 60.453 61.300 -0.014 0.000 1.119 350 I CB 1.525 39.511 38.000 -0.024 0.000 1.289 350 I HN 0.499 nan 8.210 nan 0.000 0.438 351 K N 5.122 125.515 120.400 -0.011 0.000 2.535 351 K HA 0.416 4.735 4.320 -0.001 0.000 0.251 351 K C -1.249 175.335 176.600 -0.027 0.000 0.942 351 K CA -0.656 55.637 56.287 0.009 0.000 0.798 351 K CB 2.264 34.801 32.500 0.062 0.000 1.267 351 K HN 0.582 nan 8.250 nan 0.000 0.434 352 K N 4.667 125.060 120.400 -0.012 0.000 2.235 352 K HA 0.505 4.824 4.320 -0.001 0.000 0.266 352 K C -1.560 175.071 176.600 0.051 0.000 0.980 352 K CA -0.842 55.434 56.287 -0.018 0.000 0.849 352 K CB 0.948 33.434 32.500 -0.024 0.000 1.098 352 K HN 0.518 nan 8.250 nan 0.000 0.445 353 L N 4.841 126.134 121.223 0.117 0.000 2.406 353 L HA 0.389 4.729 4.340 -0.001 0.000 0.270 353 L C 0.347 177.317 176.870 0.166 0.000 0.982 353 L CA 0.844 55.777 54.840 0.155 0.000 0.843 353 L CB 1.388 43.581 42.059 0.223 0.000 1.225 353 L HN 1.018 nan 8.230 nan 0.000 0.412 354 G N 3.835 112.698 108.800 0.105 0.000 2.596 354 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.304 354 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.304 354 G C 0.558 175.513 174.900 0.092 0.000 1.189 354 G CA 0.539 45.694 45.100 0.093 0.000 0.986 354 G HN 0.555 nan 8.290 nan 0.000 0.548 355 D N 0.189 120.658 120.400 0.116 0.000 2.346 355 D HA 0.182 4.822 4.640 -0.001 0.000 0.206 355 D C 0.964 177.340 176.300 0.127 0.000 1.001 355 D CA 0.246 54.306 54.000 0.100 0.000 0.871 355 D CB 0.130 40.987 40.800 0.096 0.000 0.943 355 D HN 0.184 nan 8.370 nan 0.000 0.518 356 F N 1.951 121.919 119.950 0.029 0.000 2.443 356 F HA 0.277 4.804 4.527 -0.001 0.000 0.353 356 F C 0.128 175.950 175.800 0.036 0.000 1.101 356 F CA -0.554 57.468 58.000 0.036 0.000 1.226 356 F CB 0.893 39.919 39.000 0.044 0.000 1.140 356 F HN -0.349 nan 8.300 nan 0.000 0.557 357 Q N 5.830 125.010 119.800 -1.033 0.000 2.333 357 Q HA 0.504 4.843 4.340 -0.001 0.000 0.268 357 Q C -2.089 173.332 176.000 -0.965 0.000 1.007 357 Q CA -0.722 54.635 55.803 -0.743 0.000 0.810 357 Q CB 1.533 30.059 28.738 -0.353 0.000 1.264 357 Q HN 0.786 nan 8.270 nan 0.000 0.452 358 L N 4.402 125.278 121.223 -0.578 0.000 2.334 358 L HA 0.821 5.160 4.340 -0.001 0.000 0.276 358 L C -1.581 175.200 176.870 -0.148 0.000 1.014 358 L CA -0.651 54.032 54.840 -0.262 0.000 0.815 358 L CB 2.126 44.218 42.059 0.055 0.000 1.268 358 L HN 0.506 nan 8.230 nan 0.000 0.428 359 V N 5.411 125.243 119.914 -0.137 0.000 2.532 359 V HA 0.462 4.582 4.120 -0.001 0.000 0.294 359 V C -0.845 175.119 176.094 -0.217 0.000 1.036 359 V CA -0.632 61.585 62.300 -0.139 0.000 0.876 359 V CB 1.831 33.579 31.823 -0.124 0.000 1.012 359 V HN 0.523 nan 8.190 nan 0.000 0.432 360 V N 3.058 122.834 119.914 -0.231 0.000 2.384 360 V HA 0.428 4.548 4.120 -0.001 0.000 0.287 360 V C 0.051 176.057 176.094 -0.146 0.000 1.020 360 V CA -0.596 61.494 62.300 -0.349 0.000 0.850 360 V CB 1.780 33.230 31.823 -0.621 0.000 0.987 360 V HN 0.823 nan 8.190 nan 0.000 0.436 361 D N 3.853 124.178 120.400 -0.125 0.000 2.400 361 D HA 0.001 4.640 4.640 -0.001 0.000 0.238 361 D C 0.508 176.837 176.300 0.048 0.000 1.157 361 D CA 0.111 54.083 54.000 -0.045 0.000 0.889 361 D CB 0.682 41.439 40.800 -0.072 0.000 1.199 361 D HN 0.770 nan 8.370 nan 0.000 0.436 362 N N 0.673 119.361 118.700 -0.019 0.000 2.344 362 N HA 0.200 4.940 4.740 -0.001 0.000 0.236 362 N C 0.080 175.351 175.510 -0.399 0.000 1.279 362 N CA -0.122 52.850 53.050 -0.131 0.000 0.882 362 N CB 0.713 39.119 38.487 -0.135 0.000 1.110 362 N HN 0.391 nan 8.380 nan 0.000 0.436 363 G N -0.710 107.445 108.800 -1.075 0.000 2.600 363 G HA2 0.545 4.505 3.960 -0.001 0.000 0.293 363 G HA3 0.545 4.505 3.960 -0.001 0.000 0.293 363 G C -1.863 172.080 174.900 -1.594 0.000 1.408 363 G CA -0.823 43.438 45.100 -1.398 0.000 0.782 363 G HN 0.928 nan 8.290 nan 0.000 0.482 364 E N -1.639 117.885 120.200 -1.127 0.000 2.412 364 E HA 0.730 5.079 4.350 -0.001 0.000 0.279 364 E C -0.958 175.493 176.600 -0.249 0.000 0.984 364 E CA -1.175 54.857 56.400 -0.613 0.000 0.788 364 E CB 2.077 31.603 29.700 -0.290 0.000 1.277 364 E HN 1.202 nan 8.360 nan 0.000 0.455 365 A N 1.822 124.673 122.820 0.052 0.000 2.393 365 A HA 0.625 4.945 4.320 -0.001 0.000 0.306 365 A C -0.942 176.687 177.584 0.075 0.000 1.050 365 A CA -0.988 51.136 52.037 0.145 0.000 0.724 365 A CB 1.359 20.545 19.000 0.311 0.000 1.248 365 A HN 0.397 nan 8.150 nan 0.000 0.424 366 K N 1.155 121.576 120.400 0.035 0.000 2.095 366 K HA 0.296 4.615 4.320 -0.001 0.000 0.252 366 K C -0.082 176.535 176.600 0.028 0.000 0.977 366 K CA -0.532 55.769 56.287 0.023 0.000 0.900 366 K CB 1.440 33.944 32.500 0.007 0.000 1.060 366 K HN 0.883 nan 8.250 nan 0.000 0.449 367 E N -0.122 120.095 120.200 0.028 0.000 2.480 367 E HA 0.015 4.365 4.350 -0.001 0.000 0.258 367 E C 0.627 177.239 176.600 0.021 0.000 0.984 367 E CA 1.076 57.495 56.400 0.032 0.000 0.930 367 E CB 0.053 29.769 29.700 0.026 0.000 0.936 367 E HN 0.765 nan 8.360 nan 0.000 0.466 368 G N 3.655 112.472 108.800 0.028 0.000 2.205 368 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.261 368 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.261 368 G C 0.229 175.127 174.900 -0.004 0.000 0.980 368 G CA 0.447 45.554 45.100 0.013 0.000 0.632 368 G HN 0.609 nan 8.290 nan 0.000 0.533 369 E N 0.009 120.204 120.200 -0.007 0.000 2.343 369 E HA 0.578 4.928 4.350 -0.001 0.000 0.269 369 E C -0.000 176.562 176.600 -0.063 0.000 1.047 369 E CA -0.688 55.694 56.400 -0.031 0.000 0.874 369 E CB 0.412 30.095 29.700 -0.029 0.000 1.033 369 E HN 0.328 nan 8.360 nan 0.000 0.409 370 I N 5.262 125.793 120.570 -0.065 0.000 2.355 370 I HA 0.287 4.456 4.170 -0.001 0.000 0.288 370 I C -0.480 175.592 176.117 -0.075 0.000 0.999 370 I CA -0.456 60.796 61.300 -0.080 0.000 1.163 370 I CB 1.268 39.238 38.000 -0.050 0.000 1.316 370 I HN 0.409 nan 8.210 nan 0.000 0.454 371 I N 5.655 126.131 120.570 -0.156 0.000 2.330 371 I HA 0.397 4.566 4.170 -0.001 0.000 0.289 371 I C 0.740 176.911 176.117 0.091 0.000 1.001 371 I CA -0.345 60.916 61.300 -0.064 0.000 1.193 371 I CB 1.490 39.380 38.000 -0.183 0.000 1.345 371 I HN 0.609 nan 8.210 nan 0.000 0.461 372 G N 6.958 115.869 108.800 0.185 0.000 2.395 372 G HA2 0.675 4.635 3.960 -0.001 0.000 0.283 372 G HA3 0.675 4.635 3.960 -0.001 0.000 0.283 372 G C -0.580 174.450 174.900 0.216 0.000 1.178 372 G CA -0.432 44.868 45.100 0.333 0.000 0.837 372 G HN 0.512 nan 8.290 nan 0.000 0.518 373 I N 1.599 122.321 120.570 0.252 0.000 2.378 373 I HA 0.440 4.609 4.170 -0.001 0.000 0.291 373 I C -0.322 175.756 176.117 -0.065 0.000 0.992 373 I CA -0.634 60.758 61.300 0.153 0.000 1.154 373 I CB 1.668 39.817 38.000 0.247 0.000 1.315 373 I HN 0.439 nan 8.210 nan 0.000 0.448 374 L N 4.257 125.378 121.223 -0.169 0.000 2.393 374 L HA 1.158 5.497 4.340 -0.001 0.000 0.260 374 L C -0.335 176.452 176.870 -0.138 0.000 1.002 374 L CA -0.303 54.374 54.840 -0.272 0.000 0.818 374 L CB 2.155 43.889 42.059 -0.542 0.000 1.369 374 L HN 0.670 nan 8.230 nan 0.000 0.412 375 G N 0.066 108.828 108.800 -0.063 0.000 2.321 375 G HA2 0.452 4.412 3.960 -0.001 0.000 0.298 375 G HA3 0.452 4.412 3.960 -0.001 0.000 0.298 375 G C -3.434 171.597 174.900 0.220 0.000 1.385 375 G CA -0.553 44.633 45.100 0.144 0.000 0.856 375 G HN 0.586 nan 8.290 nan 0.000 0.584 376 P HA 0.199 nan 4.420 nan 0.000 0.272 376 P C -0.338 177.053 177.300 0.151 0.000 1.240 376 P CA -0.468 62.750 63.100 0.197 0.000 0.791 376 P CB 0.606 32.394 31.700 0.146 0.000 0.978 377 N N -0.154 118.603 118.700 0.096 0.000 2.453 377 N HA 0.206 4.945 4.740 -0.001 0.000 0.253 377 N C 1.493 177.004 175.510 0.002 0.000 1.252 377 N CA 1.339 54.418 53.050 0.048 0.000 0.917 377 N CB -0.535 37.956 38.487 0.007 0.000 1.117 377 N HN 0.772 nan 8.380 nan 0.000 0.442 378 G N 0.258 109.021 108.800 -0.061 0.000 2.143 378 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.248 378 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.248 378 G C 0.636 175.396 174.900 -0.234 0.000 0.991 378 G CA 0.161 45.162 45.100 -0.165 0.000 0.689 378 G HN 0.530 nan 8.290 nan 0.000 0.522 379 I N 0.045 120.564 120.570 -0.085 0.000 3.968 379 I HA 0.481 4.651 4.170 -0.001 0.000 0.328 379 I C 1.872 178.182 176.117 0.323 0.000 1.290 379 I CA 1.266 62.653 61.300 0.146 0.000 1.163 379 I CB 0.387 38.525 38.000 0.229 0.000 1.024 379 I HN 1.177 nan 8.210 nan 0.000 0.413 380 G N 0.544 109.354 108.800 0.017 0.000 2.135 380 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.183 380 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.183 380 G C 1.161 176.101 174.900 0.067 0.000 1.004 380 G CA 0.351 45.572 45.100 0.202 0.000 0.677 380 G HN 0.346 nan 8.290 nan 0.000 0.512 381 K N -0.322 119.864 120.400 -0.357 0.000 2.026 381 K HA -0.041 4.278 4.320 -0.001 0.000 0.208 381 K C 2.554 179.077 176.600 -0.128 0.000 1.048 381 K CA 1.844 57.785 56.287 -0.577 0.000 0.929 381 K CB -0.272 31.877 32.500 -0.584 0.000 0.713 381 K HN 0.314 nan 8.250 nan 0.000 0.439 382 T N 0.781 115.296 114.554 -0.065 0.000 2.777 382 T HA -0.110 4.240 4.350 -0.001 0.000 0.266 382 T C 1.937 176.651 174.700 0.024 0.000 1.040 382 T CA 1.672 63.772 62.100 0.000 0.000 1.141 382 T CB -0.377 68.503 68.868 0.021 0.000 0.868 382 T HN 0.262 nan 8.240 nan 0.000 0.444 383 T N 2.174 116.770 114.554 0.070 0.000 2.635 383 T HA -0.141 4.208 4.350 -0.001 0.000 0.267 383 T C 1.542 176.324 174.700 0.136 0.000 1.040 383 T CA 1.426 63.600 62.100 0.122 0.000 1.156 383 T CB -0.591 68.415 68.868 0.231 0.000 0.863 383 T HN 0.337 nan 8.240 nan 0.000 0.430 384 F N 2.378 122.357 119.950 0.047 0.000 2.095 384 F HA -0.013 4.514 4.527 -0.001 0.000 0.298 384 F C 2.469 178.171 175.800 -0.162 0.000 1.104 384 F CA 0.793 58.787 58.000 -0.010 0.000 1.232 384 F CB -1.056 38.036 39.000 0.152 0.000 0.987 384 F HN 0.157 nan 8.300 nan 0.000 0.475 385 A N 0.621 123.234 122.820 -0.345 0.000 1.917 385 A HA -0.251 4.069 4.320 -0.001 0.000 0.219 385 A C 2.387 179.670 177.584 -0.501 0.000 1.182 385 A CA 2.043 53.789 52.037 -0.485 0.000 0.633 385 A CB -0.813 18.066 19.000 -0.201 0.000 0.819 385 A HN 0.482 nan 8.150 nan 0.000 0.448 386 R N -0.853 119.462 120.500 -0.310 0.000 2.148 386 R HA 0.055 4.395 4.340 -0.001 0.000 0.227 386 R C 1.890 178.027 176.300 -0.272 0.000 1.103 386 R CA 1.213 57.140 56.100 -0.287 0.000 0.983 386 R CB -0.355 29.878 30.300 -0.111 0.000 0.874 386 R HN 0.615 nan 8.270 nan 0.000 0.451 387 I N 0.478 120.896 120.570 -0.253 0.000 2.286 387 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 387 I C 2.008 177.918 176.117 -0.345 0.000 1.104 387 I CA 1.154 62.321 61.300 -0.221 0.000 1.397 387 I CB -0.170 37.774 38.000 -0.093 0.000 1.072 387 I HN 0.121 nan 8.210 nan 0.000 0.417 388 L N 0.449 121.321 121.223 -0.585 0.000 2.046 388 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 388 L C 2.439 179.052 176.870 -0.429 0.000 1.077 388 L CA 1.296 55.767 54.840 -0.615 0.000 0.747 388 L CB -0.638 40.852 42.059 -0.949 0.000 0.896 388 L HN 0.269 nan 8.230 nan 0.000 0.432 389 V N -2.998 116.631 119.914 -0.475 0.000 3.573 389 V HA 0.335 4.455 4.120 -0.001 0.000 0.270 389 V C 1.398 177.323 176.094 -0.283 0.000 1.221 389 V CA 0.586 62.635 62.300 -0.418 0.000 1.163 389 V CB -0.535 30.865 31.823 -0.705 0.000 0.847 389 V HN 0.570 nan 8.190 nan 0.000 0.468 390 G N 0.358 109.015 108.800 -0.239 0.000 2.143 390 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.249 390 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.249 390 G C 0.601 175.429 174.900 -0.121 0.000 0.981 390 G CA 0.690 45.701 45.100 -0.149 0.000 0.665 390 G HN 0.595 nan 8.290 nan 0.000 0.528 391 E N -0.333 119.776 120.200 -0.151 0.000 2.107 391 E HA 0.181 4.530 4.350 -0.001 0.000 0.191 391 E C 1.563 178.130 176.600 -0.055 0.000 0.982 391 E CA 1.219 57.565 56.400 -0.091 0.000 0.809 391 E CB -0.003 29.638 29.700 -0.099 0.000 0.756 391 E HN 0.893 nan 8.360 nan 0.000 0.459 392 I N -4.116 116.415 120.570 -0.065 0.000 3.042 392 I HA 0.470 4.639 4.170 -0.001 0.000 0.310 392 I C -0.332 175.764 176.117 -0.035 0.000 1.117 392 I CA -1.083 60.198 61.300 -0.032 0.000 1.003 392 I CB 2.298 40.294 38.000 -0.008 0.000 1.228 392 I HN -0.369 nan 8.210 nan 0.000 0.443 393 T N 2.159 116.705 114.554 -0.014 0.000 2.859 393 T HA 0.715 5.064 4.350 -0.001 0.000 0.281 393 T C -0.091 174.613 174.700 0.006 0.000 1.005 393 T CA -0.326 61.769 62.100 -0.010 0.000 1.025 393 T CB 1.148 70.012 68.868 -0.006 0.000 0.977 393 T HN 0.863 nan 8.240 nan 0.000 0.458 394 A N 3.385 126.212 122.820 0.011 0.000 2.407 394 A HA 0.312 4.631 4.320 -0.001 0.000 0.248 394 A C 1.104 178.700 177.584 0.019 0.000 1.082 394 A CA -0.296 51.756 52.037 0.026 0.000 0.785 394 A CB 0.094 19.116 19.000 0.037 0.000 1.020 394 A HN 0.934 nan 8.150 nan 0.000 0.489 395 D N 0.508 120.918 120.400 0.018 0.000 2.123 395 D HA 0.002 4.641 4.640 -0.001 0.000 0.200 395 D C 0.244 176.550 176.300 0.010 0.000 0.976 395 D CA 1.560 55.566 54.000 0.010 0.000 0.831 395 D CB 0.190 40.992 40.800 0.003 0.000 0.974 395 D HN 0.799 nan 8.370 nan 0.000 0.469 396 E N -1.203 119.005 120.200 0.013 0.000 2.383 396 E HA 0.575 4.925 4.350 -0.001 0.000 0.275 396 E C -0.203 176.415 176.600 0.030 0.000 0.918 396 E CA -0.989 55.420 56.400 0.016 0.000 0.764 396 E CB 2.735 32.440 29.700 0.008 0.000 1.252 396 E HN 0.075 nan 8.360 nan 0.000 0.449 397 G N 0.845 109.668 108.800 0.037 0.000 2.675 397 G HA2 0.127 4.086 3.960 -0.001 0.000 0.686 397 G HA3 0.127 4.086 3.960 -0.001 0.000 0.686 397 G C -0.582 174.360 174.900 0.070 0.000 1.215 397 G CA -0.419 44.718 45.100 0.061 0.000 0.777 397 G HN 0.914 nan 8.290 nan 0.000 0.638 398 S N -1.017 114.739 115.700 0.094 0.000 2.549 398 S HA 0.824 5.293 4.470 -0.001 0.000 0.280 398 S C -0.432 174.256 174.600 0.147 0.000 1.109 398 S CA -0.394 57.862 58.200 0.092 0.000 0.905 398 S CB 2.364 65.602 63.200 0.064 0.000 1.081 398 S HN 1.710 nan 8.310 nan 0.000 0.477 399 V N 1.989 121.978 119.914 0.126 0.000 2.539 399 V HA 0.602 4.721 4.120 -0.001 0.000 0.292 399 V C -0.006 176.167 176.094 0.130 0.000 1.045 399 V CA -0.349 62.056 62.300 0.175 0.000 0.945 399 V CB 1.645 33.525 31.823 0.095 0.000 0.993 399 V HN 1.047 nan 8.190 nan 0.000 0.464 400 T N 6.370 121.017 114.554 0.156 0.000 2.809 400 T HA 0.457 4.806 4.350 -0.001 0.000 0.284 400 T C -2.684 172.086 174.700 0.117 0.000 0.992 400 T CA -1.123 61.041 62.100 0.106 0.000 0.957 400 T CB 1.774 70.692 68.868 0.084 0.000 0.942 400 T HN 0.455 nan 8.240 nan 0.000 0.439 401 P HA 0.249 nan 4.420 nan 0.000 0.274 401 P C 0.931 178.259 177.300 0.046 0.000 1.231 401 P CA -0.440 62.693 63.100 0.055 0.000 0.790 401 P CB 1.015 32.739 31.700 0.040 0.000 0.951 402 E N 0.921 121.138 120.200 0.029 0.000 2.072 402 E HA -0.125 4.225 4.350 -0.001 0.000 0.191 402 E C -0.037 176.557 176.600 -0.010 0.000 0.985 402 E CA 1.332 57.739 56.400 0.013 0.000 0.801 402 E CB 0.211 29.917 29.700 0.010 0.000 0.750 402 E HN 0.386 nan 8.360 nan 0.000 0.452 403 K N 0.186 120.579 120.400 -0.010 0.000 2.427 403 K HA 0.322 4.641 4.320 -0.001 0.000 0.252 403 K C -0.930 175.658 176.600 -0.020 0.000 0.931 403 K CA -0.358 55.913 56.287 -0.026 0.000 0.793 403 K CB 2.209 34.691 32.500 -0.029 0.000 1.211 403 K HN -0.069 nan 8.250 nan 0.000 0.426 404 Q N 1.096 120.877 119.800 -0.032 0.000 2.528 404 Q HA 0.410 4.750 4.340 -0.001 0.000 0.289 404 Q C -0.919 175.053 176.000 -0.046 0.000 1.091 404 Q CA -1.336 54.451 55.803 -0.027 0.000 0.797 404 Q CB 2.154 30.882 28.738 -0.016 0.000 1.466 404 Q HN 0.510 nan 8.270 nan 0.000 0.436 405 I N 2.361 122.903 120.570 -0.047 0.000 2.505 405 I HA 0.191 4.361 4.170 -0.001 0.000 0.287 405 I C -1.309 174.738 176.117 -0.117 0.000 1.104 405 I CA 0.109 61.368 61.300 -0.069 0.000 1.387 405 I CB -0.406 37.561 38.000 -0.054 0.000 1.404 405 I HN 0.454 nan 8.210 nan 0.000 0.528 406 L N 4.829 125.978 121.223 -0.124 0.000 2.309 406 L HA 0.884 5.224 4.340 -0.001 0.000 0.261 406 L C -0.358 176.417 176.870 -0.157 0.000 1.021 406 L CA -0.689 54.053 54.840 -0.163 0.000 0.823 406 L CB 1.614 43.605 42.059 -0.114 0.000 1.366 406 L HN 0.490 nan 8.230 nan 0.000 0.423 407 S N 0.455 116.046 115.700 -0.182 0.000 2.619 407 S HA 0.666 5.135 4.470 -0.001 0.000 0.280 407 S C -1.979 172.706 174.600 0.142 0.000 1.150 407 S CA -0.360 57.819 58.200 -0.034 0.000 0.978 407 S CB 0.763 63.923 63.200 -0.067 0.000 1.041 407 S HN 0.746 nan 8.310 nan 0.000 0.485 408 Y N 4.537 124.837 120.300 0.001 0.000 2.338 408 Y HA 0.595 5.144 4.550 -0.001 0.000 0.333 408 Y C -0.829 175.082 175.900 0.019 0.000 0.968 408 Y CA -1.059 57.044 58.100 0.005 0.000 1.123 408 Y CB 1.132 39.570 38.460 -0.037 0.000 1.165 408 Y HN 0.511 nan 8.280 nan 0.000 0.452 409 K N 9.470 129.770 120.400 -0.167 0.000 2.334 409 K HA 0.409 4.728 4.320 -0.001 0.000 0.265 409 K C -3.070 173.229 176.600 -0.502 0.000 1.039 409 K CA -2.182 53.941 56.287 -0.273 0.000 0.920 409 K CB 1.270 33.757 32.500 -0.021 0.000 1.160 409 K HN 0.469 nan 8.250 nan 0.000 0.451 410 P HA 0.118 nan 4.420 nan 0.000 0.276 410 P C 0.462 177.672 177.300 -0.150 0.000 1.252 410 P CA -0.223 62.535 63.100 -0.570 0.000 0.802 410 P CB 1.189 32.584 31.700 -0.507 0.000 1.035 411 Q N 1.440 121.232 119.800 -0.015 0.000 2.030 411 Q HA -0.157 4.183 4.340 -0.001 0.000 0.204 411 Q C 1.004 177.075 176.000 0.119 0.000 0.986 411 Q CA 1.213 57.053 55.803 0.062 0.000 0.843 411 Q CB -0.020 28.769 28.738 0.084 0.000 0.904 411 Q HN 0.337 nan 8.270 nan 0.000 0.420 412 R N 1.112 121.701 120.500 0.148 0.000 2.401 412 R HA 0.109 4.448 4.340 -0.001 0.000 0.299 412 R C -0.814 175.652 176.300 0.277 0.000 1.064 412 R CA -0.251 55.999 56.100 0.249 0.000 1.000 412 R CB 0.388 30.854 30.300 0.277 0.000 0.973 412 R HN 0.219 nan 8.270 nan 0.000 0.438 413 I N 7.351 128.103 120.570 0.303 0.000 2.321 413 I HA 0.329 4.498 4.170 -0.001 0.000 0.291 413 I C -0.395 175.858 176.117 0.226 0.000 0.998 413 I CA -0.302 61.114 61.300 0.193 0.000 1.227 413 I CB 0.379 38.468 38.000 0.147 0.000 1.368 413 I HN 0.579 nan 8.210 nan 0.000 0.466 414 F N 6.180 126.218 119.950 0.146 0.000 2.693 414 F HA 0.680 5.206 4.527 -0.001 0.000 0.309 414 F C -3.051 172.843 175.800 0.157 0.000 1.129 414 F CA -2.356 55.694 58.000 0.084 0.000 0.948 414 F CB 1.133 40.164 39.000 0.052 0.000 1.315 414 F HN 0.148 nan 8.300 nan 0.000 0.447 415 P HA 0.148 nan 4.420 nan 0.000 0.271 415 P C -0.598 176.851 177.300 0.248 0.000 1.233 415 P CA -0.055 63.145 63.100 0.166 0.000 0.764 415 P CB 0.888 32.657 31.700 0.115 0.000 0.825 416 N N 2.462 121.270 118.700 0.179 0.000 2.234 416 N HA 0.050 4.790 4.740 -0.001 0.000 0.227 416 N C -0.954 174.748 175.510 0.319 0.000 1.151 416 N CA -0.507 52.659 53.050 0.194 0.000 0.865 416 N CB -0.134 38.288 38.487 -0.108 0.000 1.066 416 N HN 0.350 nan 8.380 nan 0.000 0.515 417 Y N 0.494 120.867 120.300 0.122 0.000 2.519 417 Y HA 0.254 4.803 4.550 -0.001 0.000 0.336 417 Y C -0.418 175.541 175.900 0.099 0.000 1.089 417 Y CA -1.285 56.903 58.100 0.146 0.000 1.025 417 Y CB 1.472 40.081 38.460 0.248 0.000 1.318 417 Y HN -0.070 nan 8.280 nan 0.000 0.452 418 D N 1.551 121.584 120.400 -0.612 0.000 2.317 418 D HA 0.131 4.771 4.640 -0.001 0.000 0.211 418 D C 0.930 176.973 176.300 -0.430 0.000 0.966 418 D CA 0.813 54.553 54.000 -0.433 0.000 0.876 418 D CB 0.370 40.962 40.800 -0.346 0.000 0.927 418 D HN 0.622 nan 8.370 nan 0.000 0.519 419 G N 0.495 108.861 108.800 -0.724 0.000 2.857 419 G HA2 0.445 4.404 3.960 -0.001 0.000 0.217 419 G HA3 0.445 4.404 3.960 -0.001 0.000 0.217 419 G C -0.077 174.935 174.900 0.186 0.000 1.357 419 G CA -0.148 44.869 45.100 -0.139 0.000 1.033 419 G HN 0.201 nan 8.290 nan 0.000 0.571 420 T N -2.570 112.129 114.554 0.243 0.000 2.847 420 T HA 0.303 4.653 4.350 -0.001 0.000 0.279 420 T C 1.411 176.259 174.700 0.246 0.000 0.984 420 T CA -0.217 61.997 62.100 0.189 0.000 0.988 420 T CB 1.412 70.355 68.868 0.125 0.000 1.040 420 T HN 0.178 nan 8.240 nan 0.000 0.528 421 V N 1.286 121.283 119.914 0.139 0.000 2.392 421 V HA -0.191 3.928 4.120 -0.001 0.000 0.249 421 V C 3.002 179.182 176.094 0.144 0.000 1.059 421 V CA 2.323 64.690 62.300 0.111 0.000 1.051 421 V CB -1.079 30.770 31.823 0.044 0.000 0.658 421 V HN 1.022 nan 8.190 nan 0.000 0.455 422 Q N -0.355 119.518 119.800 0.122 0.000 2.050 422 Q HA -0.284 4.055 4.340 -0.001 0.000 0.202 422 Q C 2.325 178.385 176.000 0.099 0.000 0.980 422 Q CA 2.117 57.981 55.803 0.101 0.000 0.840 422 Q CB -0.127 28.658 28.738 0.078 0.000 0.898 422 Q HN 0.690 nan 8.270 nan 0.000 0.424 423 Q N -0.936 118.949 119.800 0.142 0.000 2.084 423 Q HA -0.209 4.130 4.340 -0.001 0.000 0.202 423 Q C 1.819 177.837 176.000 0.030 0.000 0.978 423 Q CA 1.630 57.516 55.803 0.139 0.000 0.844 423 Q CB -0.230 28.674 28.738 0.277 0.000 0.898 423 Q HN 0.463 nan 8.270 nan 0.000 0.426 424 Y N 1.006 121.220 120.300 -0.142 0.000 2.128 424 Y HA -0.278 4.271 4.550 -0.001 0.000 0.284 424 Y C 1.818 177.609 175.900 -0.181 0.000 1.154 424 Y CA 1.613 59.491 58.100 -0.370 0.000 1.149 424 Y CB -0.083 38.194 38.460 -0.306 0.000 0.976 424 Y HN 0.039 nan 8.280 nan 0.000 0.505 425 L N -0.427 120.834 121.223 0.062 0.000 2.027 425 L HA -0.200 4.140 4.340 -0.001 0.000 0.206 425 L C 2.334 179.160 176.870 -0.075 0.000 1.074 425 L CA 1.613 56.464 54.840 0.017 0.000 0.745 425 L CB -0.606 41.513 42.059 0.099 0.000 0.898 425 L HN 0.216 nan 8.230 nan 0.000 0.433 426 E N 0.149 120.318 120.200 -0.052 0.000 2.130 426 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 426 E C 1.895 178.427 176.600 -0.113 0.000 0.998 426 E CA 1.225 57.583 56.400 -0.070 0.000 0.806 426 E CB -0.106 29.574 29.700 -0.034 0.000 0.738 426 E HN 0.469 nan 8.360 nan 0.000 0.459 427 N N 0.471 119.073 118.700 -0.164 0.000 2.142 427 N HA -0.109 4.631 4.740 -0.001 0.000 0.186 427 N C 1.704 177.077 175.510 -0.228 0.000 1.023 427 N CA 1.180 54.107 53.050 -0.204 0.000 0.852 427 N CB -0.337 37.972 38.487 -0.296 0.000 0.998 427 N HN 0.131 nan 8.380 nan 0.000 0.424 428 A N 0.317 122.972 122.820 -0.276 0.000 1.883 428 A HA -0.022 4.297 4.320 -0.001 0.000 0.217 428 A C 1.195 178.657 177.584 -0.204 0.000 1.186 428 A CA 1.737 53.628 52.037 -0.243 0.000 0.624 428 A CB -0.249 18.617 19.000 -0.224 0.000 0.822 428 A HN 0.474 nan 8.150 nan 0.000 0.444 429 S N -3.874 111.704 115.700 -0.202 0.000 2.615 429 S HA 0.407 4.877 4.470 -0.001 0.000 0.268 429 S C 0.009 174.510 174.600 -0.165 0.000 1.146 429 S CA -0.073 58.010 58.200 -0.196 0.000 0.818 429 S CB 0.680 63.717 63.200 -0.273 0.000 1.111 429 S HN 0.175 nan 8.310 nan 0.000 0.465 430 K N 0.003 120.319 120.400 -0.140 0.000 2.211 430 K HA -0.040 4.280 4.320 -0.001 0.000 0.203 430 K C 0.699 177.223 176.600 -0.127 0.000 1.050 430 K CA 1.673 57.894 56.287 -0.111 0.000 0.945 430 K CB -0.236 32.215 32.500 -0.082 0.000 0.732 430 K HN 0.503 nan 8.250 nan 0.000 0.451 431 D N 0.337 120.629 120.400 -0.181 0.000 2.137 431 D HA -0.030 4.609 4.640 -0.001 0.000 0.202 431 D C 1.738 177.965 176.300 -0.122 0.000 0.970 431 D CA 0.959 54.849 54.000 -0.183 0.000 0.837 431 D CB -0.155 40.451 40.800 -0.323 0.000 0.981 431 D HN 0.120 nan 8.370 nan 0.000 0.475 432 A N 0.206 122.905 122.820 -0.202 0.000 1.997 432 A HA -0.149 4.170 4.320 -0.001 0.000 0.221 432 A C 1.921 179.632 177.584 0.212 0.000 1.172 432 A CA 1.191 53.242 52.037 0.023 0.000 0.645 432 A CB -0.438 18.535 19.000 -0.045 0.000 0.813 432 A HN 0.311 nan 8.150 nan 0.000 0.454 433 L N -1.154 120.074 121.223 0.009 0.000 3.016 433 L HA 0.168 4.508 4.340 -0.001 0.000 0.267 433 L C 0.748 177.376 176.870 -0.403 0.000 1.182 433 L CA -0.145 54.606 54.840 -0.148 0.000 0.997 433 L CB 0.495 42.500 42.059 -0.091 0.000 1.354 433 L HN 0.270 nan 8.230 nan 0.000 0.569 434 S N 0.395 115.948 115.700 -0.244 0.000 2.430 434 S HA 0.042 4.511 4.470 -0.001 0.000 0.282 434 S C 1.605 176.020 174.600 -0.308 0.000 1.186 434 S CA -0.093 57.969 58.200 -0.231 0.000 1.060 434 S CB 0.693 63.833 63.200 -0.099 0.000 0.966 434 S HN 0.456 nan 8.310 nan 0.000 0.501 435 T N 1.965 116.271 114.554 -0.414 0.000 2.946 435 T HA -0.143 4.207 4.350 -0.001 0.000 0.271 435 T C 1.791 176.508 174.700 0.028 0.000 1.104 435 T CA 1.398 63.320 62.100 -0.297 0.000 1.114 435 T CB -0.538 68.207 68.868 -0.205 0.000 0.867 435 T HN 0.701 nan 8.240 nan 0.000 0.513 436 S N 1.191 116.896 115.700 0.007 0.000 2.562 436 S HA 0.139 4.608 4.470 -0.001 0.000 0.221 436 S C 1.025 175.692 174.600 0.113 0.000 0.975 436 S CA -0.091 58.147 58.200 0.062 0.000 0.918 436 S CB -0.478 62.743 63.200 0.035 0.000 0.772 436 S HN 0.737 nan 8.310 nan 0.000 0.531 437 S N 0.438 116.217 115.700 0.131 0.000 2.578 437 S HA 0.387 4.857 4.470 -0.001 0.000 0.283 437 S C 0.591 175.314 174.600 0.205 0.000 1.195 437 S CA -0.538 57.753 58.200 0.152 0.000 1.050 437 S CB 0.604 63.842 63.200 0.063 0.000 1.012 437 S HN 0.676 nan 8.310 nan 0.000 0.511 438 W N 4.170 125.550 121.300 0.133 0.000 2.325 438 W HA -0.153 4.506 4.660 -0.001 0.000 0.299 438 W C 1.370 177.950 176.519 0.103 0.000 1.215 438 W CA 1.092 58.492 57.345 0.092 0.000 1.244 438 W CB -0.674 28.824 29.460 0.064 0.000 1.140 438 W HN 0.701 nan 8.180 nan 0.000 0.523 439 F N 0.525 119.932 119.950 -0.905 0.000 2.075 439 F HA -0.179 4.347 4.527 -0.001 0.000 0.297 439 F C 2.446 178.080 175.800 -0.276 0.000 1.113 439 F CA 2.442 59.923 58.000 -0.866 0.000 1.218 439 F CB -1.202 37.281 39.000 -0.862 0.000 0.984 439 F HN -0.000 nan 8.300 nan 0.000 0.472 440 F N 1.316 121.250 119.950 -0.027 0.000 2.095 440 F HA -0.204 4.322 4.527 -0.001 0.000 0.298 440 F C 2.333 178.070 175.800 -0.104 0.000 1.104 440 F CA 2.291 60.282 58.000 -0.015 0.000 1.232 440 F CB -0.842 38.157 39.000 -0.001 0.000 0.987 440 F HN 0.089 nan 8.300 nan 0.000 0.475 441 E N -0.300 119.790 120.200 -0.183 0.000 2.028 441 E HA -0.212 4.138 4.350 -0.001 0.000 0.191 441 E C 1.822 178.270 176.600 -0.254 0.000 0.988 441 E CA 1.457 57.702 56.400 -0.258 0.000 0.799 441 E CB -0.238 29.450 29.700 -0.019 0.000 0.755 441 E HN 0.675 nan 8.360 nan 0.000 0.447 442 E N -0.318 119.778 120.200 -0.175 0.000 2.476 442 E HA 0.036 4.386 4.350 -0.001 0.000 0.196 442 E C 1.144 177.579 176.600 -0.274 0.000 1.029 442 E CA 0.130 56.440 56.400 -0.151 0.000 0.896 442 E CB 0.962 30.668 29.700 0.011 0.000 1.012 442 E HN 0.061 nan 8.360 nan 0.000 0.475 443 V N 0.062 119.697 119.914 -0.464 0.000 3.668 443 V HA -0.085 4.035 4.120 -0.001 0.000 0.199 443 V C 2.076 177.972 176.094 -0.329 0.000 1.241 443 V CA 0.965 62.958 62.300 -0.511 0.000 1.308 443 V CB -0.087 31.097 31.823 -1.065 0.000 1.411 443 V HN 0.156 nan 8.190 nan 0.000 0.535 444 T N 0.678 115.061 114.554 -0.285 0.000 2.624 444 T HA -0.323 4.026 4.350 -0.001 0.000 0.268 444 T C 1.816 176.440 174.700 -0.125 0.000 1.041 444 T CA 2.545 64.609 62.100 -0.062 0.000 1.159 444 T CB -0.203 68.757 68.868 0.153 0.000 0.863 444 T HN 0.358 nan 8.240 nan 0.000 0.434 445 K N 0.421 120.569 120.400 -0.420 0.000 2.103 445 K HA 0.029 4.348 4.320 -0.001 0.000 0.204 445 K C 2.581 179.067 176.600 -0.190 0.000 1.052 445 K CA 0.613 56.602 56.287 -0.497 0.000 0.945 445 K CB 0.082 31.966 32.500 -1.027 0.000 0.722 445 K HN 0.092 nan 8.250 nan 0.000 0.443 446 R N 0.404 120.786 120.500 -0.197 0.000 2.148 446 R HA -0.066 4.274 4.340 -0.001 0.000 0.227 446 R C 1.948 178.222 176.300 -0.042 0.000 1.103 446 R CA 0.876 56.916 56.100 -0.100 0.000 0.983 446 R CB -0.233 30.001 30.300 -0.109 0.000 0.874 446 R HN 0.281 nan 8.270 nan 0.000 0.451 447 L N 0.513 121.708 121.223 -0.047 0.000 2.599 447 L HA 0.045 4.385 4.340 -0.001 0.000 0.230 447 L C 0.017 176.898 176.870 0.017 0.000 1.141 447 L CA 0.047 54.877 54.840 -0.015 0.000 0.877 447 L CB -0.307 41.737 42.059 -0.025 0.000 1.009 447 L HN 0.178 nan 8.230 nan 0.000 0.447 448 N N -1.068 117.675 118.700 0.072 0.000 2.800 448 N HA -0.226 4.513 4.740 -0.001 0.000 0.250 448 N C 0.896 176.421 175.510 0.024 0.000 1.078 448 N CA 0.624 53.727 53.050 0.090 0.000 0.804 448 N CB -1.437 37.055 38.487 0.008 0.000 1.135 448 N HN 0.239 nan 8.380 nan 0.000 0.565 449 L N -0.254 121.024 121.223 0.092 0.000 2.187 449 L HA -0.206 4.134 4.340 -0.001 0.000 0.213 449 L C 2.429 179.363 176.870 0.107 0.000 1.100 449 L CA 1.646 56.530 54.840 0.074 0.000 0.765 449 L CB -0.669 41.447 42.059 0.095 0.000 0.904 449 L HN 0.533 nan 8.230 nan 0.000 0.437 450 H N 0.287 119.401 119.070 0.073 0.000 2.518 450 H HA -0.109 4.446 4.556 -0.001 0.000 0.289 450 H C 1.809 177.194 175.328 0.094 0.000 1.051 450 H CA 0.879 57.013 56.048 0.144 0.000 1.280 450 H CB -0.367 29.521 29.762 0.209 0.000 1.380 450 H HN 0.348 nan 8.280 nan 0.000 0.566 451 R N 0.092 120.324 120.500 -0.447 0.000 2.297 451 R HA 0.246 4.585 4.340 -0.001 0.000 0.197 451 R C 1.168 177.400 176.300 -0.113 0.000 0.943 451 R CA 0.154 56.072 56.100 -0.304 0.000 1.038 451 R CB 0.449 30.545 30.300 -0.340 0.000 0.957 451 R HN 0.286 nan 8.270 nan 0.000 0.484 452 L N 0.066 121.252 121.223 -0.063 0.000 3.069 452 L HA 0.177 4.516 4.340 -0.001 0.000 0.271 452 L C 1.279 178.155 176.870 0.009 0.000 1.201 452 L CA -0.128 54.695 54.840 -0.028 0.000 1.015 452 L CB 0.384 42.419 42.059 -0.040 0.000 1.371 452 L HN 0.110 nan 8.230 nan 0.000 0.574 453 L N 0.016 121.259 121.223 0.035 0.000 2.043 453 L HA -0.232 4.108 4.340 -0.001 0.000 0.212 453 L C 1.933 178.835 176.870 0.053 0.000 1.075 453 L CA 1.741 56.618 54.840 0.061 0.000 0.752 453 L CB -0.246 41.861 42.059 0.080 0.000 0.891 453 L HN 0.423 nan 8.230 nan 0.000 0.432 454 E N -0.775 119.447 120.200 0.037 0.000 2.442 454 E HA 0.027 4.376 4.350 -0.001 0.000 0.195 454 E C 0.624 177.241 176.600 0.028 0.000 1.030 454 E CA -0.192 56.228 56.400 0.034 0.000 0.869 454 E CB 0.263 29.979 29.700 0.027 0.000 0.857 454 E HN 0.321 nan 8.360 nan 0.000 0.505 455 S N 1.721 117.432 115.700 0.018 0.000 2.560 455 S HA -0.004 4.465 4.470 -0.001 0.000 0.284 455 S C 0.119 174.733 174.600 0.023 0.000 1.327 455 S CA -0.362 57.843 58.200 0.009 0.000 1.055 455 S CB 0.478 63.672 63.200 -0.010 0.000 0.868 455 S HN 0.203 nan 8.310 nan 0.000 0.506 456 N N 1.083 119.793 118.700 0.017 0.000 2.513 456 N HA 0.076 4.815 4.740 -0.001 0.000 0.268 456 N C 1.063 176.585 175.510 0.019 0.000 1.180 456 N CA -0.206 52.860 53.050 0.028 0.000 0.948 456 N CB 0.585 39.077 38.487 0.009 0.000 1.083 456 N HN 0.296 nan 8.380 nan 0.000 0.455 457 V N 2.976 122.924 119.914 0.056 0.000 2.546 457 V HA -0.285 3.834 4.120 -0.001 0.000 0.254 457 V C 1.445 177.532 176.094 -0.012 0.000 1.076 457 V CA 1.880 64.187 62.300 0.011 0.000 1.087 457 V CB -0.883 30.997 31.823 0.094 0.000 0.674 457 V HN 0.743 nan 8.190 nan 0.000 0.470 458 N N -0.170 118.536 118.700 0.010 0.000 2.396 458 N HA -0.119 4.621 4.740 -0.001 0.000 0.180 458 N C 1.196 176.697 175.510 -0.015 0.000 1.028 458 N CA 0.997 54.051 53.050 0.006 0.000 0.893 458 N CB -0.068 38.425 38.487 0.010 0.000 0.967 458 N HN 0.450 nan 8.380 nan 0.000 0.440 459 D N 0.157 120.543 120.400 -0.023 0.000 2.340 459 D HA 0.061 4.700 4.640 -0.001 0.000 0.220 459 D C 0.058 176.328 176.300 -0.050 0.000 1.039 459 D CA 0.187 54.168 54.000 -0.031 0.000 0.866 459 D CB 0.225 41.011 40.800 -0.023 0.000 0.913 459 D HN 0.257 nan 8.370 nan 0.000 0.523 460 L N 1.458 122.638 121.223 -0.072 0.000 2.380 460 L HA 0.097 4.436 4.340 -0.001 0.000 0.273 460 L C 1.335 178.136 176.870 -0.114 0.000 1.138 460 L CA -0.379 54.398 54.840 -0.106 0.000 0.832 460 L CB 0.899 42.862 42.059 -0.160 0.000 1.124 460 L HN -0.046 nan 8.230 nan 0.000 0.454 461 S N 1.813 117.446 115.700 -0.111 0.000 2.606 461 S HA 0.109 4.579 4.470 -0.001 0.000 0.257 461 S C 1.327 175.813 174.600 -0.191 0.000 1.327 461 S CA -0.142 57.986 58.200 -0.121 0.000 0.984 461 S CB 1.171 64.319 63.200 -0.087 0.000 0.941 461 S HN 0.780 nan 8.310 nan 0.000 0.576 462 G N 0.475 109.119 108.800 -0.260 0.000 2.440 462 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.218 462 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.218 462 G C 1.373 176.099 174.900 -0.290 0.000 1.154 462 G CA 0.668 45.466 45.100 -0.502 0.000 0.767 462 G HN 1.025 nan 8.290 nan 0.000 0.552 463 G N 0.526 109.257 108.800 -0.115 0.000 2.402 463 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.216 463 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.216 463 G C 1.646 176.491 174.900 -0.092 0.000 1.162 463 G CA 1.075 46.159 45.100 -0.027 0.000 0.777 463 G HN 0.532 nan 8.290 nan 0.000 0.539 464 E N 0.041 120.162 120.200 -0.132 0.000 2.107 464 E HA 0.033 4.383 4.350 -0.001 0.000 0.191 464 E C 2.549 178.992 176.600 -0.261 0.000 0.982 464 E CA 0.277 56.583 56.400 -0.157 0.000 0.809 464 E CB -0.155 29.463 29.700 -0.137 0.000 0.756 464 E HN 0.350 nan 8.360 nan 0.000 0.459 465 L N 0.812 121.828 121.223 -0.344 0.000 2.012 465 L HA -0.264 4.076 4.340 -0.001 0.000 0.210 465 L C 2.763 179.246 176.870 -0.646 0.000 1.073 465 L CA 1.314 55.775 54.840 -0.633 0.000 0.748 465 L CB -0.322 41.408 42.059 -0.548 0.000 0.891 465 L HN 0.147 nan 8.230 nan 0.000 0.431 466 Q N 0.598 120.225 119.800 -0.289 0.000 2.061 466 Q HA -0.230 4.109 4.340 -0.001 0.000 0.204 466 Q C 2.108 178.047 176.000 -0.100 0.000 0.984 466 Q CA 1.831 57.576 55.803 -0.097 0.000 0.846 466 Q CB -0.016 28.757 28.738 0.058 0.000 0.902 466 Q HN 0.298 nan 8.270 nan 0.000 0.421 467 K N -0.322 120.009 120.400 -0.115 0.000 2.057 467 K HA -0.156 4.164 4.320 -0.001 0.000 0.207 467 K C 2.073 178.626 176.600 -0.078 0.000 1.049 467 K CA 1.268 57.511 56.287 -0.073 0.000 0.931 467 K CB -0.366 32.096 32.500 -0.063 0.000 0.714 467 K HN 0.222 nan 8.250 nan 0.000 0.440 468 L N 0.489 121.594 121.223 -0.197 0.000 2.017 468 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 468 L C 2.037 178.890 176.870 -0.029 0.000 1.073 468 L CA 1.781 56.508 54.840 -0.188 0.000 0.745 468 L CB -0.528 41.280 42.059 -0.417 0.000 0.894 468 L HN 0.108 nan 8.230 nan 0.000 0.432 469 Y N -0.436 119.836 120.300 -0.047 0.000 2.263 469 Y HA -0.065 4.485 4.550 -0.001 0.000 0.292 469 Y C 2.482 178.410 175.900 0.046 0.000 1.130 469 Y CA 0.842 58.944 58.100 0.002 0.000 1.179 469 Y CB -0.804 37.607 38.460 -0.082 0.000 0.998 469 Y HN 0.174 nan 8.280 nan 0.000 0.532 470 I N -0.360 120.305 120.570 0.159 0.000 2.179 470 I HA -0.312 3.858 4.170 -0.001 0.000 0.242 470 I C 2.590 178.799 176.117 0.154 0.000 1.088 470 I CA 1.248 62.621 61.300 0.122 0.000 1.357 470 I CB -0.665 37.372 38.000 0.061 0.000 1.051 470 I HN 0.133 nan 8.210 nan 0.000 0.409 471 A N 0.874 123.788 122.820 0.155 0.000 1.883 471 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 471 A C 2.559 180.333 177.584 0.317 0.000 1.186 471 A CA 2.098 54.281 52.037 0.242 0.000 0.624 471 A CB -0.990 18.136 19.000 0.210 0.000 0.822 471 A HN 0.437 nan 8.150 nan 0.000 0.444 472 A N -1.238 121.734 122.820 0.253 0.000 1.902 472 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 472 A C 2.304 179.970 177.584 0.136 0.000 1.181 472 A CA 2.359 54.504 52.037 0.181 0.000 0.623 472 A CB -1.355 17.823 19.000 0.297 0.000 0.818 472 A HN 0.439 nan 8.150 nan 0.000 0.443 473 T N 0.410 115.076 114.554 0.187 0.000 2.720 473 T HA -0.097 4.252 4.350 -0.001 0.000 0.268 473 T C 1.695 176.583 174.700 0.313 0.000 1.037 473 T CA 1.559 63.782 62.100 0.205 0.000 1.144 473 T CB -0.342 68.645 68.868 0.198 0.000 0.864 473 T HN 0.387 nan 8.240 nan 0.000 0.444 474 L N 0.337 121.727 121.223 0.278 0.000 2.313 474 L HA 0.137 4.477 4.340 -0.001 0.000 0.214 474 L C 2.827 179.879 176.870 0.303 0.000 1.119 474 L CA 0.564 55.563 54.840 0.265 0.000 0.809 474 L CB -0.465 41.744 42.059 0.250 0.000 0.933 474 L HN 0.218 nan 8.230 nan 0.000 0.449 475 A N -0.261 122.590 122.820 0.051 0.000 2.016 475 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 475 A C 1.340 178.791 177.584 -0.222 0.000 1.162 475 A CA 0.357 52.075 52.037 -0.532 0.000 0.662 475 A CB -0.146 18.413 19.000 -0.735 0.000 0.812 475 A HN 0.201 nan 8.150 nan 0.000 0.450 476 K N 1.612 122.003 120.400 -0.014 0.000 2.368 476 K HA 0.109 4.428 4.320 -0.001 0.000 0.282 476 K C -0.840 175.823 176.600 0.105 0.000 1.035 476 K CA -0.076 56.214 56.287 0.004 0.000 0.973 476 K CB 0.254 32.757 32.500 0.006 0.000 0.957 476 K HN 0.442 nan 8.250 nan 0.000 0.474 477 E N 2.281 122.510 120.200 0.049 0.000 2.180 477 E HA 0.285 4.634 4.350 -0.001 0.000 0.283 477 E C -0.746 175.872 176.600 0.030 0.000 1.061 477 E CA -0.498 55.966 56.400 0.108 0.000 0.861 477 E CB 1.312 31.055 29.700 0.070 0.000 1.056 477 E HN 0.578 nan 8.360 nan 0.000 0.407 478 A N 2.904 125.729 122.820 0.008 0.000 2.569 478 A HA 0.359 4.678 4.320 -0.001 0.000 0.290 478 A C -0.369 177.143 177.584 -0.119 0.000 1.136 478 A CA -0.743 51.172 52.037 -0.203 0.000 0.710 478 A CB 1.341 20.005 19.000 -0.560 0.000 1.303 478 A HN 0.519 nan 8.150 nan 0.000 0.413 479 D N -0.832 119.499 120.400 -0.116 0.000 2.327 479 D HA 0.184 4.824 4.640 -0.001 0.000 0.205 479 D C -0.290 176.002 176.300 -0.012 0.000 0.989 479 D CA 0.963 54.953 54.000 -0.016 0.000 0.873 479 D CB 0.660 41.460 40.800 -0.001 0.000 0.955 479 D HN 0.263 nan 8.370 nan 0.000 0.515 480 L N 0.483 121.620 121.223 -0.144 0.000 2.476 480 L HA 0.352 4.691 4.340 -0.001 0.000 0.269 480 L C -2.029 174.710 176.870 -0.218 0.000 0.965 480 L CA -0.830 53.982 54.840 -0.046 0.000 0.845 480 L CB 1.478 43.542 42.059 0.009 0.000 1.259 480 L HN -0.249 nan 8.230 nan 0.000 0.403 481 Y N 3.892 124.270 120.300 0.130 0.000 2.429 481 Y HA 0.796 5.345 4.550 -0.001 0.000 0.342 481 Y C -0.363 175.645 175.900 0.182 0.000 1.004 481 Y CA -0.852 57.330 58.100 0.136 0.000 1.075 481 Y CB 2.392 40.921 38.460 0.116 0.000 1.214 481 Y HN 0.335 nan 8.280 nan 0.000 0.455 482 V N 5.045 125.154 119.914 0.325 0.000 2.524 482 V HA 0.432 4.551 4.120 -0.001 0.000 0.297 482 V C -1.146 175.129 176.094 0.302 0.000 1.035 482 V CA -0.742 61.731 62.300 0.289 0.000 0.867 482 V CB 1.604 33.516 31.823 0.149 0.000 1.004 482 V HN 0.494 nan 8.190 nan 0.000 0.426 483 L N 4.110 125.466 121.223 0.222 0.000 2.376 483 L HA 0.624 4.964 4.340 -0.001 0.000 0.275 483 L C -0.539 176.394 176.870 0.105 0.000 0.987 483 L CA -0.144 54.780 54.840 0.141 0.000 0.828 483 L CB 1.880 44.002 42.059 0.105 0.000 1.249 483 L HN 0.476 nan 8.230 nan 0.000 0.409 484 D N 4.129 124.574 120.400 0.075 0.000 2.427 484 D HA 0.238 4.878 4.640 -0.001 0.000 0.226 484 D C -0.329 175.987 176.300 0.026 0.000 1.076 484 D CA -0.059 53.977 54.000 0.060 0.000 0.849 484 D CB 0.823 41.677 40.800 0.090 0.000 1.052 484 D HN 0.537 nan 8.370 nan 0.000 0.515 485 Q N 2.428 122.228 119.800 -0.001 0.000 2.459 485 Q HA -0.150 4.189 4.340 -0.001 0.000 0.322 485 Q C -1.759 174.233 176.000 -0.012 0.000 1.427 485 Q CA 0.188 55.982 55.803 -0.016 0.000 0.861 485 Q CB -0.652 28.099 28.738 0.022 0.000 1.137 485 Q HN 0.502 nan 8.270 nan 0.000 0.394 486 P HA -0.118 nan 4.420 nan 0.000 0.229 486 P C 1.104 178.380 177.300 -0.041 0.000 1.160 486 P CA 1.448 64.541 63.100 -0.011 0.000 0.777 486 P CB 0.159 31.852 31.700 -0.012 0.000 0.814 487 S N -1.745 113.910 115.700 -0.076 0.000 2.522 487 S HA 0.040 4.510 4.470 -0.001 0.000 0.227 487 S C 1.074 175.596 174.600 -0.131 0.000 0.986 487 S CA -0.160 57.978 58.200 -0.103 0.000 0.929 487 S CB -1.167 61.959 63.200 -0.122 0.000 0.769 487 S HN -0.029 nan 8.310 nan 0.000 0.529 488 S N 1.996 117.596 115.700 -0.166 0.000 2.563 488 S HA 0.194 4.663 4.470 -0.001 0.000 0.294 488 S C -0.094 174.280 174.600 -0.377 0.000 1.279 488 S CA 0.090 58.042 58.200 -0.413 0.000 1.069 488 S CB -0.484 62.401 63.200 -0.524 0.000 0.828 488 S HN 0.578 nan 8.310 nan 0.000 0.497 489 Y N -2.035 118.197 120.300 -0.113 0.000 4.936 489 Y HA -0.230 4.319 4.550 -0.001 0.000 0.260 489 Y C 0.329 176.150 175.900 -0.131 0.000 0.928 489 Y CA 0.060 58.093 58.100 -0.111 0.000 1.869 489 Y CB -2.246 36.171 38.460 -0.072 0.000 1.344 489 Y HN 0.509 nan 8.280 nan 0.000 0.521 490 L N 2.146 123.334 121.223 -0.059 0.000 2.357 490 L HA 0.378 4.717 4.340 -0.001 0.000 0.273 490 L C 0.763 177.467 176.870 -0.276 0.000 1.080 490 L CA -0.546 54.226 54.840 -0.114 0.000 0.803 490 L CB 0.821 42.823 42.059 -0.095 0.000 1.174 490 L HN 0.132 nan 8.230 nan 0.000 0.443 491 D N 0.866 121.060 120.400 -0.343 0.000 2.478 491 D HA 0.042 4.681 4.640 -0.001 0.000 0.269 491 D C 0.763 176.884 176.300 -0.299 0.000 1.232 491 D CA -0.607 52.961 54.000 -0.720 0.000 1.059 491 D CB 0.919 41.433 40.800 -0.476 0.000 1.104 491 D HN 0.156 nan 8.370 nan 0.000 0.566 492 V N -0.553 119.309 119.914 -0.087 0.000 2.515 492 V HA -0.167 3.953 4.120 -0.001 0.000 0.250 492 V C 2.056 178.370 176.094 0.365 0.000 1.058 492 V CA 2.487 64.893 62.300 0.177 0.000 1.064 492 V CB -0.720 31.169 31.823 0.110 0.000 0.675 492 V HN 0.696 nan 8.190 nan 0.000 0.461 493 E N -0.415 119.979 120.200 0.325 0.000 2.051 493 E HA -0.216 4.133 4.350 -0.001 0.000 0.189 493 E C 2.093 178.833 176.600 0.234 0.000 0.979 493 E CA 1.230 57.860 56.400 0.384 0.000 0.803 493 E CB -0.206 29.666 29.700 0.286 0.000 0.761 493 E HN 0.735 nan 8.360 nan 0.000 0.451 494 E N 0.682 120.946 120.200 0.106 0.000 2.085 494 E HA -0.248 4.102 4.350 -0.001 0.000 0.194 494 E C 2.295 178.904 176.600 0.015 0.000 0.994 494 E CA 1.689 58.111 56.400 0.038 0.000 0.801 494 E CB -0.175 29.514 29.700 -0.019 0.000 0.743 494 E HN 0.331 nan 8.360 nan 0.000 0.453 495 R N 0.003 120.486 120.500 -0.028 0.000 2.105 495 R HA -0.184 4.156 4.340 -0.001 0.000 0.239 495 R C 1.617 177.785 176.300 -0.220 0.000 1.135 495 R CA 1.677 57.672 56.100 -0.175 0.000 0.967 495 R CB -0.649 29.470 30.300 -0.301 0.000 0.861 495 R HN 0.263 nan 8.270 nan 0.000 0.442 496 Y N 0.853 121.193 120.300 0.067 0.000 2.420 496 Y HA 0.153 4.703 4.550 -0.001 0.000 0.292 496 Y C 2.266 178.228 175.900 0.103 0.000 1.119 496 Y CA 0.371 58.516 58.100 0.074 0.000 1.229 496 Y CB 0.029 38.453 38.460 -0.059 0.000 1.026 496 Y HN -0.085 nan 8.280 nan 0.000 0.554 497 I N -0.963 119.712 120.570 0.175 0.000 2.179 497 I HA -0.297 3.873 4.170 -0.001 0.000 0.242 497 I C 2.148 178.292 176.117 0.046 0.000 1.088 497 I CA 1.048 62.403 61.300 0.092 0.000 1.357 497 I CB -0.466 37.563 38.000 0.049 0.000 1.051 497 I HN 0.017 nan 8.210 nan 0.000 0.409 498 V N 1.013 120.938 119.914 0.019 0.000 2.255 498 V HA -0.358 3.761 4.120 -0.001 0.000 0.247 498 V C 2.707 178.793 176.094 -0.013 0.000 1.051 498 V CA 2.173 64.464 62.300 -0.015 0.000 1.018 498 V CB -1.074 30.730 31.823 -0.032 0.000 0.641 498 V HN 0.529 nan 8.190 nan 0.000 0.445 499 A N -0.304 122.524 122.820 0.013 0.000 1.883 499 A HA -0.318 4.002 4.320 -0.001 0.000 0.217 499 A C 2.360 179.924 177.584 -0.033 0.000 1.186 499 A CA 2.439 54.481 52.037 0.009 0.000 0.624 499 A CB -0.578 18.499 19.000 0.130 0.000 0.822 499 A HN 0.558 nan 8.150 nan 0.000 0.444 500 K N -0.382 120.048 120.400 0.051 0.000 2.057 500 K HA -0.091 4.228 4.320 -0.001 0.000 0.207 500 K C 2.144 178.709 176.600 -0.057 0.000 1.049 500 K CA 1.275 57.545 56.287 -0.027 0.000 0.931 500 K CB -0.351 32.201 32.500 0.086 0.000 0.714 500 K HN 0.362 nan 8.250 nan 0.000 0.440 501 A N 1.486 124.278 122.820 -0.048 0.000 1.902 501 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 501 A C 2.084 179.621 177.584 -0.077 0.000 1.181 501 A CA 1.495 53.486 52.037 -0.077 0.000 0.623 501 A CB -0.568 18.361 19.000 -0.119 0.000 0.818 501 A HN 0.353 nan 8.150 nan 0.000 0.443 502 I N -0.474 120.047 120.570 -0.082 0.000 2.127 502 I HA -0.320 3.849 4.170 -0.001 0.000 0.241 502 I C 2.574 178.625 176.117 -0.110 0.000 1.075 502 I CA 2.110 63.349 61.300 -0.102 0.000 1.334 502 I CB -0.283 37.668 38.000 -0.082 0.000 1.040 502 I HN 0.388 nan 8.210 nan 0.000 0.405 503 K N 0.970 121.302 120.400 -0.114 0.000 2.057 503 K HA -0.260 4.060 4.320 -0.001 0.000 0.207 503 K C 2.338 178.884 176.600 -0.090 0.000 1.049 503 K CA 1.617 57.833 56.287 -0.119 0.000 0.931 503 K CB -0.064 32.328 32.500 -0.179 0.000 0.714 503 K HN 0.009 nan 8.250 nan 0.000 0.440 504 R N 0.462 120.919 120.500 -0.072 0.000 2.073 504 R HA -0.103 4.236 4.340 -0.001 0.000 0.234 504 R C 1.940 178.244 176.300 0.006 0.000 1.134 504 R CA 1.799 57.874 56.100 -0.041 0.000 0.952 504 R CB -0.645 29.654 30.300 -0.001 0.000 0.850 504 R HN 0.088 nan 8.270 nan 0.000 0.433 505 V N 0.321 120.264 119.914 0.048 0.000 2.237 505 V HA -0.283 3.837 4.120 -0.001 0.000 0.245 505 V C 2.148 178.243 176.094 0.002 0.000 1.046 505 V CA 2.465 64.822 62.300 0.096 0.000 1.007 505 V CB -0.912 30.919 31.823 0.013 0.000 0.638 505 V HN 0.516 nan 8.190 nan 0.000 0.445 506 T N 0.008 114.509 114.554 -0.087 0.000 2.620 506 T HA -0.277 4.073 4.350 -0.001 0.000 0.267 506 T C 2.107 176.817 174.700 0.017 0.000 1.044 506 T CA 1.781 63.868 62.100 -0.022 0.000 1.161 506 T CB -0.333 68.512 68.868 -0.038 0.000 0.862 506 T HN 0.264 nan 8.240 nan 0.000 0.438 507 R N 0.771 121.259 120.500 -0.021 0.000 2.080 507 R HA -0.065 4.274 4.340 -0.001 0.000 0.236 507 R C 2.483 178.762 176.300 -0.035 0.000 1.137 507 R CA 1.717 57.797 56.100 -0.033 0.000 0.943 507 R CB -0.847 29.416 30.300 -0.062 0.000 0.846 507 R HN 0.511 nan 8.270 nan 0.000 0.431 508 E N 0.842 121.010 120.200 -0.053 0.000 2.110 508 E HA -0.131 4.219 4.350 -0.001 0.000 0.193 508 E C 1.602 178.195 176.600 -0.011 0.000 0.988 508 E CA 1.275 57.611 56.400 -0.108 0.000 0.804 508 E CB 0.078 29.640 29.700 -0.230 0.000 0.745 508 E HN 0.226 nan 8.360 nan 0.000 0.458 509 R N 0.112 120.660 120.500 0.080 0.000 2.300 509 R HA 0.162 4.502 4.340 -0.001 0.000 0.199 509 R C 0.208 176.572 176.300 0.106 0.000 0.920 509 R CA 0.404 56.586 56.100 0.137 0.000 1.046 509 R CB 0.066 30.517 30.300 0.252 0.000 0.984 509 R HN 0.018 nan 8.270 nan 0.000 0.493 510 K N 0.269 120.711 120.400 0.069 0.000 3.035 510 K HA -0.197 4.123 4.320 -0.001 0.000 0.262 510 K C -0.186 176.465 176.600 0.086 0.000 1.024 510 K CA 0.438 56.758 56.287 0.056 0.000 0.748 510 K CB -1.309 31.215 32.500 0.039 0.000 1.247 510 K HN 0.347 nan 8.250 nan 0.000 0.482 511 A N 0.075 122.974 122.820 0.131 0.000 2.246 511 A HA 0.660 4.979 4.320 -0.001 0.000 0.291 511 A C 0.222 177.889 177.584 0.139 0.000 1.103 511 A CA -0.533 51.612 52.037 0.182 0.000 0.844 511 A CB 1.006 20.238 19.000 0.387 0.000 1.136 511 A HN 0.067 nan 8.150 nan 0.000 0.500 512 V N 0.210 120.212 119.914 0.147 0.000 2.513 512 V HA 0.585 4.705 4.120 -0.001 0.000 0.299 512 V C -0.024 176.144 176.094 0.124 0.000 1.035 512 V CA -0.223 62.126 62.300 0.081 0.000 0.889 512 V CB 1.717 33.584 31.823 0.074 0.000 0.988 512 V HN 0.934 nan 8.190 nan 0.000 0.440 513 T N 4.729 119.284 114.554 0.002 0.000 2.861 513 T HA 0.666 5.016 4.350 -0.001 0.000 0.287 513 T C -1.052 173.583 174.700 -0.109 0.000 1.003 513 T CA -0.183 61.964 62.100 0.079 0.000 0.977 513 T CB 1.076 69.999 68.868 0.091 0.000 0.996 513 T HN 0.299 nan 8.240 nan 0.000 0.448 514 F N 2.468 122.480 119.950 0.103 0.000 2.493 514 F HA 0.624 5.150 4.527 -0.001 0.000 0.329 514 F C -0.047 175.803 175.800 0.083 0.000 1.126 514 F CA -0.981 57.071 58.000 0.086 0.000 0.937 514 F CB 1.382 40.394 39.000 0.021 0.000 1.146 514 F HN 0.367 nan 8.300 nan 0.000 0.442 515 I N 5.449 126.160 120.570 0.234 0.000 2.436 515 I HA 0.519 4.689 4.170 -0.001 0.000 0.289 515 I C -1.207 175.012 176.117 0.169 0.000 1.010 515 I CA -0.635 60.755 61.300 0.149 0.000 1.098 515 I CB 1.004 39.028 38.000 0.040 0.000 1.266 515 I HN 0.478 nan 8.210 nan 0.000 0.434 516 I N 7.062 127.693 120.570 0.100 0.000 2.315 516 I HA 0.402 4.571 4.170 -0.001 0.000 0.291 516 I C -0.802 175.291 176.117 -0.040 0.000 1.006 516 I CA -0.030 61.293 61.300 0.038 0.000 1.265 516 I CB 1.216 39.200 38.000 -0.026 0.000 1.387 516 I HN 0.584 nan 8.210 nan 0.000 0.475 517 D N 2.259 122.646 120.400 -0.022 0.000 2.655 517 D HA 0.315 4.955 4.640 -0.001 0.000 0.229 517 D C 0.172 176.403 176.300 -0.115 0.000 1.229 517 D CA -0.440 53.488 54.000 -0.120 0.000 0.807 517 D CB 1.539 42.215 40.800 -0.205 0.000 1.514 517 D HN 0.413 nan 8.370 nan 0.000 0.444 518 H N 0.374 119.490 119.070 0.077 0.000 2.539 518 H HA 0.109 4.665 4.556 -0.001 0.000 0.269 518 H C -0.307 175.083 175.328 0.104 0.000 0.980 518 H CA 0.261 56.361 56.048 0.086 0.000 1.152 518 H CB 0.509 30.296 29.762 0.041 0.000 1.407 518 H HN 0.298 nan 8.280 nan 0.000 0.564 519 D N 1.128 121.614 120.400 0.144 0.000 2.347 519 D HA 0.036 4.676 4.640 -0.001 0.000 0.235 519 D C 1.278 177.711 176.300 0.221 0.000 1.149 519 D CA -0.245 53.834 54.000 0.132 0.000 0.850 519 D CB 1.008 41.818 40.800 0.015 0.000 1.061 519 D HN 0.119 nan 8.370 nan 0.000 0.487 520 L N 2.569 123.971 121.223 0.298 0.000 2.083 520 L HA -0.179 4.160 4.340 -0.001 0.000 0.209 520 L C 2.252 179.369 176.870 0.412 0.000 1.083 520 L CA 0.770 55.843 54.840 0.388 0.000 0.752 520 L CB -0.151 42.166 42.059 0.431 0.000 0.899 520 L HN 0.343 nan 8.230 nan 0.000 0.433 521 S N -0.188 115.728 115.700 0.361 0.000 2.383 521 S HA -0.096 4.374 4.470 -0.001 0.000 0.227 521 S C 1.940 176.864 174.600 0.540 0.000 1.026 521 S CA 0.740 59.228 58.200 0.480 0.000 0.981 521 S CB -0.070 63.437 63.200 0.511 0.000 0.818 521 S HN 0.224 nan 8.310 nan 0.000 0.472 522 I N 2.108 122.836 120.570 0.264 0.000 2.127 522 I HA -0.207 3.963 4.170 -0.001 0.000 0.241 522 I C 2.332 178.512 176.117 0.106 0.000 1.075 522 I CA 1.672 63.026 61.300 0.089 0.000 1.334 522 I CB -1.677 36.209 38.000 -0.191 0.000 1.040 522 I HN 0.381 nan 8.210 nan 0.000 0.405 523 H N 0.291 119.471 119.070 0.183 0.000 2.319 523 H HA -0.215 4.341 4.556 -0.001 0.000 0.297 523 H C 2.016 177.480 175.328 0.226 0.000 1.097 523 H CA 1.787 57.928 56.048 0.155 0.000 1.285 523 H CB -0.453 29.372 29.762 0.106 0.000 1.368 523 H HN 0.410 nan 8.280 nan 0.000 0.495 524 D N 0.049 120.740 120.400 0.485 0.000 2.149 524 D HA -0.183 4.456 4.640 -0.001 0.000 0.198 524 D C 1.989 178.590 176.300 0.500 0.000 0.990 524 D CA 0.874 55.199 54.000 0.542 0.000 0.839 524 D CB -0.060 41.137 40.800 0.662 0.000 0.948 524 D HN 0.309 nan 8.370 nan 0.000 0.460 525 Y N 1.283 121.727 120.300 0.240 0.000 2.243 525 Y HA -0.031 4.519 4.550 -0.001 0.000 0.293 525 Y C 2.017 177.868 175.900 -0.081 0.000 1.124 525 Y CA 1.399 59.401 58.100 -0.163 0.000 1.159 525 Y CB -0.114 38.196 38.460 -0.249 0.000 1.008 525 Y HN 0.106 nan 8.280 nan 0.000 0.527 526 I N -2.623 117.889 120.570 -0.097 0.000 4.592 526 I HA 0.552 4.722 4.170 -0.001 0.000 0.329 526 I C 0.838 176.924 176.117 -0.052 0.000 1.309 526 I CA -0.255 60.924 61.300 -0.201 0.000 1.243 526 I CB -0.308 37.525 38.000 -0.278 0.000 1.241 526 I HN -0.020 nan 8.210 nan 0.000 0.434 527 A N 2.169 125.021 122.820 0.052 0.000 2.492 527 A HA 0.163 4.482 4.320 -0.001 0.000 0.254 527 A C 0.634 178.253 177.584 0.058 0.000 1.091 527 A CA 0.006 52.092 52.037 0.083 0.000 0.768 527 A CB 0.001 19.112 19.000 0.185 0.000 1.028 527 A HN 0.389 nan 8.150 nan 0.000 0.498 528 D N 1.518 121.934 120.400 0.027 0.000 2.162 528 D HA 0.012 4.651 4.640 -0.001 0.000 0.203 528 D C 0.732 177.051 176.300 0.032 0.000 0.967 528 D CA 1.199 55.213 54.000 0.023 0.000 0.840 528 D CB 0.302 41.103 40.800 0.002 0.000 0.972 528 D HN 0.600 nan 8.370 nan 0.000 0.482 529 R N -0.418 120.102 120.500 0.034 0.000 2.781 529 R HA 0.626 4.965 4.340 -0.001 0.000 0.269 529 R C -0.906 175.424 176.300 0.049 0.000 1.025 529 R CA -0.746 55.375 56.100 0.034 0.000 0.914 529 R CB 2.356 32.677 30.300 0.034 0.000 1.236 529 R HN -0.075 nan 8.270 nan 0.000 0.465 530 I N -1.753 118.837 120.570 0.033 0.000 2.769 530 I HA 0.571 4.741 4.170 -0.001 0.000 0.298 530 I C -0.815 175.337 176.117 0.058 0.000 1.128 530 I CA -1.006 60.308 61.300 0.024 0.000 1.031 530 I CB 2.256 40.202 38.000 -0.089 0.000 1.235 530 I HN 0.395 nan 8.210 nan 0.000 0.423 531 I N 5.144 125.784 120.570 0.118 0.000 2.355 531 I HA 0.396 4.566 4.170 -0.001 0.000 0.288 531 I C -0.610 175.586 176.117 0.131 0.000 0.999 531 I CA -1.000 60.385 61.300 0.141 0.000 1.163 531 I CB 1.837 40.004 38.000 0.279 0.000 1.316 531 I HN 0.331 nan 8.210 nan 0.000 0.454 532 V N 7.236 127.174 119.914 0.041 0.000 2.383 532 V HA 0.331 4.450 4.120 -0.001 0.000 0.275 532 V C -0.196 175.967 176.094 0.114 0.000 1.036 532 V CA -0.361 61.975 62.300 0.060 0.000 0.889 532 V CB 1.029 32.848 31.823 -0.008 0.000 0.985 532 V HN 0.392 nan 8.190 nan 0.000 0.459 533 F N 4.350 124.296 119.950 -0.006 0.000 2.408 533 F HA 0.576 5.102 4.527 -0.001 0.000 0.344 533 F C 0.570 176.420 175.800 0.082 0.000 1.112 533 F CA -0.321 57.700 58.000 0.036 0.000 1.096 533 F CB 1.305 40.338 39.000 0.055 0.000 1.129 533 F HN 0.354 nan 8.300 nan 0.000 0.486 534 K N 1.388 121.904 120.400 0.193 0.000 2.444 534 K HA 0.888 5.208 4.320 -0.001 0.000 0.252 534 K C -0.161 176.519 176.600 0.134 0.000 0.993 534 K CA -0.851 55.527 56.287 0.151 0.000 0.847 534 K CB 2.462 35.008 32.500 0.076 0.000 1.340 534 K HN 0.804 nan 8.250 nan 0.000 0.446 535 G N 0.664 109.532 108.800 0.112 0.000 2.260 535 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.250 535 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.250 535 G C -1.791 173.172 174.900 0.104 0.000 1.340 535 G CA -0.747 44.414 45.100 0.101 0.000 1.056 535 G HN 0.450 nan 8.290 nan 0.000 0.471 536 E N 1.256 121.528 120.200 0.120 0.000 2.129 536 E HA 0.660 5.010 4.350 -0.001 0.000 0.268 536 E C -2.480 174.215 176.600 0.159 0.000 0.900 536 E CA -2.063 54.404 56.400 0.112 0.000 0.755 536 E CB 1.649 31.400 29.700 0.085 0.000 1.117 536 E HN 0.229 nan 8.360 nan 0.000 0.410 537 P HA -0.044 nan 4.420 nan 0.000 0.262 537 P C -0.596 176.759 177.300 0.092 0.000 1.182 537 P CA 0.788 63.943 63.100 0.091 0.000 0.761 537 P CB 0.399 32.130 31.700 0.051 0.000 0.795 538 E N 0.516 120.745 120.200 0.049 0.000 3.916 538 E HA -0.289 4.060 4.350 -0.001 0.000 0.331 538 E C 0.502 177.305 176.600 0.339 0.000 0.729 538 E CA 1.050 57.499 56.400 0.083 0.000 1.222 538 E CB -1.339 28.388 29.700 0.046 0.000 1.633 538 E HN 0.590 nan 8.360 nan 0.000 0.437 539 K N -0.039 120.612 120.400 0.418 0.000 2.431 539 K HA 0.479 4.798 4.320 -0.001 0.000 0.213 539 K C 0.379 177.096 176.600 0.194 0.000 1.258 539 K CA 0.836 57.291 56.287 0.279 0.000 0.845 539 K CB 1.166 33.752 32.500 0.144 0.000 1.498 539 K HN 0.081 nan 8.250 nan 0.000 0.451 540 A N 0.985 123.921 122.820 0.193 0.000 2.459 540 A HA 0.658 4.978 4.320 -0.001 0.000 0.296 540 A C -1.022 176.652 177.584 0.149 0.000 1.039 540 A CA -0.465 51.565 52.037 -0.012 0.000 0.698 540 A CB 1.947 20.921 19.000 -0.044 0.000 1.261 540 A HN 0.246 nan 8.150 nan 0.000 0.405 541 G N 1.327 110.178 108.800 0.085 0.000 2.643 541 G HA2 0.590 4.549 3.960 -0.001 0.000 0.305 541 G HA3 0.590 4.549 3.960 -0.001 0.000 0.305 541 G C -1.354 173.565 174.900 0.033 0.000 1.387 541 G CA -0.411 44.826 45.100 0.230 0.000 0.982 541 G HN 0.518 nan 8.290 nan 0.000 0.501 542 L N 1.627 122.834 121.223 -0.026 0.000 2.356 542 L HA 0.751 5.090 4.340 -0.001 0.000 0.277 542 L C 0.145 176.836 176.870 -0.298 0.000 0.996 542 L CA -0.846 53.903 54.840 -0.152 0.000 0.822 542 L CB 1.326 43.328 42.059 -0.096 0.000 1.256 542 L HN 0.701 nan 8.230 nan 0.000 0.413 543 A N 2.022 124.533 122.820 -0.515 0.000 2.350 543 A HA 0.749 5.068 4.320 -0.001 0.000 0.324 543 A C 0.335 177.678 177.584 -0.401 0.000 1.118 543 A CA -0.422 51.150 52.037 -0.775 0.000 0.783 543 A CB 1.262 19.334 19.000 -1.547 0.000 1.236 543 A HN 0.744 nan 8.150 nan 0.000 0.457 544 T N 0.277 114.672 114.554 -0.266 0.000 2.813 544 T HA 0.452 4.801 4.350 -0.001 0.000 0.297 544 T C 0.628 175.283 174.700 -0.074 0.000 1.036 544 T CA -0.083 61.940 62.100 -0.130 0.000 1.044 544 T CB 0.248 69.072 68.868 -0.074 0.000 0.993 544 T HN 0.624 nan 8.240 nan 0.000 0.535 545 S N 2.779 118.460 115.700 -0.032 0.000 2.576 545 S HA 0.231 4.700 4.470 -0.001 0.000 0.272 545 S C -2.309 172.326 174.600 0.058 0.000 1.352 545 S CA -0.754 57.455 58.200 0.014 0.000 1.021 545 S CB -0.435 62.732 63.200 -0.054 0.000 0.887 545 S HN 0.654 nan 8.310 nan 0.000 0.542 546 P HA 0.166 nan 4.420 nan 0.000 0.266 546 P C -0.577 176.745 177.300 0.036 0.000 1.215 546 P CA -0.133 63.043 63.100 0.127 0.000 0.763 546 P CB 0.142 31.946 31.700 0.174 0.000 0.806 547 V N 0.522 120.446 119.914 0.018 0.000 3.126 547 V HA 0.720 4.839 4.120 -0.001 0.000 0.314 547 V C 0.370 176.456 176.094 -0.013 0.000 1.138 547 V CA -1.071 61.224 62.300 -0.009 0.000 1.034 547 V CB 1.168 32.976 31.823 -0.025 0.000 1.075 547 V HN 0.558 nan 8.190 nan 0.000 0.442 548 T N -0.034 114.511 114.554 -0.015 0.000 2.855 548 T HA 0.105 4.455 4.350 -0.001 0.000 0.322 548 T C 1.163 175.827 174.700 -0.061 0.000 1.088 548 T CA -0.146 61.946 62.100 -0.012 0.000 1.104 548 T CB 0.267 69.140 68.868 0.007 0.000 0.996 548 T HN 0.629 nan 8.240 nan 0.000 0.549 549 L N 1.138 122.320 121.223 -0.068 0.000 2.013 549 L HA -0.142 4.198 4.340 -0.001 0.000 0.212 549 L C 2.739 179.304 176.870 -0.508 0.000 1.073 549 L CA 2.467 57.170 54.840 -0.229 0.000 0.753 549 L CB -1.272 40.735 42.059 -0.088 0.000 0.890 549 L HN 0.938 nan 8.230 nan 0.000 0.432 550 K N -0.531 119.702 120.400 -0.279 0.000 1.991 550 K HA -0.190 4.130 4.320 -0.001 0.000 0.212 550 K C 1.998 178.522 176.600 -0.128 0.000 1.049 550 K CA 2.294 58.489 56.287 -0.153 0.000 0.932 550 K CB -0.075 32.520 32.500 0.159 0.000 0.717 550 K HN 0.212 nan 8.250 nan 0.000 0.441 551 T N -0.107 114.406 114.554 -0.069 0.000 2.652 551 T HA -0.135 4.215 4.350 -0.001 0.000 0.267 551 T C 1.798 176.452 174.700 -0.077 0.000 1.039 551 T CA 1.514 63.588 62.100 -0.044 0.000 1.153 551 T CB -0.860 67.991 68.868 -0.028 0.000 0.863 551 T HN 0.563 nan 8.240 nan 0.000 0.428 552 G N 1.716 110.446 108.800 -0.116 0.000 2.459 552 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.217 552 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.217 552 G C 1.533 176.356 174.900 -0.127 0.000 1.183 552 G CA 0.893 45.923 45.100 -0.116 0.000 0.776 552 G HN 0.287 nan 8.290 nan 0.000 0.552 553 M N 0.439 119.883 119.600 -0.260 0.000 2.229 553 M HA 0.028 4.507 4.480 -0.001 0.000 0.264 553 M C 2.195 178.449 176.300 -0.076 0.000 1.063 553 M CA 0.748 55.908 55.300 -0.233 0.000 1.114 553 M CB -1.354 30.870 32.600 -0.627 0.000 1.387 553 M HN 0.204 nan 8.290 nan 0.000 0.420 554 N N 0.695 119.366 118.700 -0.050 0.000 2.094 554 N HA -0.183 4.557 4.740 -0.001 0.000 0.191 554 N C 1.567 177.039 175.510 -0.064 0.000 1.023 554 N CA 1.655 54.738 53.050 0.055 0.000 0.857 554 N CB 0.060 38.609 38.487 0.103 0.000 1.013 554 N HN 0.437 nan 8.380 nan 0.000 0.426 555 E N -0.988 119.174 120.200 -0.063 0.000 2.046 555 E HA -0.143 4.207 4.350 -0.001 0.000 0.190 555 E C 1.615 178.149 176.600 -0.110 0.000 0.982 555 E CA 0.779 57.121 56.400 -0.097 0.000 0.800 555 E CB -0.212 29.464 29.700 -0.040 0.000 0.756 555 E HN 0.371 nan 8.360 nan 0.000 0.449 556 F N 1.507 121.355 119.950 -0.171 0.000 2.171 556 F HA -0.157 4.369 4.527 -0.001 0.000 0.300 556 F C 1.832 177.513 175.800 -0.198 0.000 1.090 556 F CA 1.243 59.151 58.000 -0.153 0.000 1.293 556 F CB 0.024 38.952 39.000 -0.120 0.000 1.013 556 F HN -0.080 nan 8.300 nan 0.000 0.486 557 L N -0.066 121.040 121.223 -0.196 0.000 2.156 557 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 557 L C 2.665 179.236 176.870 -0.498 0.000 1.095 557 L CA 1.095 55.752 54.840 -0.304 0.000 0.770 557 L CB -0.734 41.227 42.059 -0.163 0.000 0.914 557 L HN 0.130 nan 8.230 nan 0.000 0.439 558 R N 1.395 121.399 120.500 -0.827 0.000 2.083 558 R HA -0.237 4.102 4.340 -0.001 0.000 0.237 558 R C 2.136 178.120 176.300 -0.526 0.000 1.137 558 R CA 2.267 57.677 56.100 -1.151 0.000 0.951 558 R CB -0.091 29.645 30.300 -0.940 0.000 0.851 558 R HN 0.524 nan 8.270 nan 0.000 0.434 559 E N 0.264 120.215 120.200 -0.416 0.000 2.268 559 E HA -0.145 4.204 4.350 -0.001 0.000 0.195 559 E C 1.913 178.338 176.600 -0.293 0.000 0.995 559 E CA 1.022 57.241 56.400 -0.301 0.000 0.836 559 E CB -0.363 29.185 29.700 -0.255 0.000 0.763 559 E HN 0.407 nan 8.360 nan 0.000 0.491 560 L N 0.371 121.371 121.223 -0.371 0.000 2.418 560 L HA 0.081 4.421 4.340 -0.001 0.000 0.218 560 L C 0.216 176.994 176.870 -0.153 0.000 1.125 560 L CA 0.444 55.114 54.840 -0.285 0.000 0.835 560 L CB -0.375 41.474 42.059 -0.349 0.000 0.953 560 L HN 0.123 nan 8.230 nan 0.000 0.454 561 E N 0.029 120.158 120.200 -0.118 0.000 2.389 561 E HA -0.194 4.155 4.350 -0.001 0.000 0.243 561 E C -0.471 176.191 176.600 0.103 0.000 1.154 561 E CA 0.408 56.830 56.400 0.037 0.000 0.723 561 E CB -1.405 28.310 29.700 0.024 0.000 1.261 561 E HN 0.372 nan 8.360 nan 0.000 0.390 562 V N -2.390 117.590 119.914 0.111 0.000 2.864 562 V HA 0.858 4.978 4.120 -0.001 0.000 0.314 562 V C 0.278 176.541 176.094 0.283 0.000 1.073 562 V CA -0.087 62.324 62.300 0.185 0.000 0.956 562 V CB 2.227 34.149 31.823 0.166 0.000 1.023 562 V HN 0.202 nan 8.190 nan 0.000 0.435 563 T N 0.850 115.575 114.554 0.285 0.000 2.863 563 T HA 0.778 5.128 4.350 -0.001 0.000 0.285 563 T C -0.966 174.002 174.700 0.447 0.000 1.009 563 T CA -0.377 61.877 62.100 0.256 0.000 0.989 563 T CB 1.474 70.376 68.868 0.057 0.000 1.004 563 T HN 0.517 nan 8.240 nan 0.000 0.455 564 F N 1.242 121.249 119.950 0.096 0.000 2.458 564 F HA 0.796 5.323 4.527 -0.001 0.000 0.330 564 F C 0.679 176.437 175.800 -0.071 0.000 1.082 564 F CA -1.719 56.288 58.000 0.012 0.000 0.995 564 F CB 2.093 41.080 39.000 -0.023 0.000 1.170 564 F HN 0.638 nan 8.300 nan 0.000 0.478 565 R N 0.611 121.151 120.500 0.068 0.000 2.930 565 R HA 0.641 4.981 4.340 -0.001 0.000 0.257 565 R C -0.956 175.289 176.300 -0.092 0.000 1.107 565 R CA -0.897 55.189 56.100 -0.023 0.000 0.999 565 R CB 1.661 31.951 30.300 -0.018 0.000 1.209 565 R HN 0.429 nan 8.270 nan 0.000 0.486 566 R N 0.893 121.339 120.500 -0.089 0.000 2.393 566 R HA 0.193 4.532 4.340 -0.001 0.000 0.310 566 R C -1.162 175.080 176.300 -0.096 0.000 0.968 566 R CA -0.809 55.227 56.100 -0.107 0.000 0.867 566 R CB 1.462 31.718 30.300 -0.073 0.000 1.124 566 R HN 0.686 nan 8.270 nan 0.000 0.450 567 D N 1.191 121.515 120.400 -0.128 0.000 2.425 567 D HA 0.101 4.740 4.640 -0.001 0.000 0.247 567 D C 1.119 177.375 176.300 -0.072 0.000 1.147 567 D CA 0.221 54.156 54.000 -0.109 0.000 0.879 567 D CB 1.125 41.838 40.800 -0.145 0.000 1.179 567 D HN 0.563 nan 8.370 nan 0.000 0.456 568 A N 3.683 126.470 122.820 -0.054 0.000 1.933 568 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 568 A C 1.888 179.455 177.584 -0.028 0.000 1.175 568 A CA 1.692 53.709 52.037 -0.033 0.000 0.628 568 A CB -0.449 18.535 19.000 -0.028 0.000 0.814 568 A HN 0.816 nan 8.150 nan 0.000 0.444 569 E N -0.706 119.469 120.200 -0.041 0.000 2.057 569 E HA -0.104 4.246 4.350 -0.001 0.000 0.190 569 E C 1.917 178.502 176.600 -0.025 0.000 0.969 569 E CA 1.405 57.784 56.400 -0.034 0.000 0.812 569 E CB -0.068 29.602 29.700 -0.051 0.000 0.777 569 E HN 0.588 nan 8.360 nan 0.000 0.455 570 T N -3.375 111.153 114.554 -0.043 0.000 3.065 570 T HA 0.278 4.628 4.350 -0.001 0.000 0.252 570 T C 1.539 176.261 174.700 0.037 0.000 1.099 570 T CA 0.589 62.681 62.100 -0.014 0.000 1.063 570 T CB 0.463 69.295 68.868 -0.059 0.000 0.948 570 T HN 0.411 nan 8.240 nan 0.000 0.506 571 G N 2.726 111.519 108.800 -0.012 0.000 2.189 571 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.267 571 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.267 571 G C 0.238 175.069 174.900 -0.115 0.000 0.975 571 G CA 0.318 45.424 45.100 0.011 0.000 0.644 571 G HN 1.054 nan 8.290 nan 0.000 0.537 572 R N 0.424 120.705 120.500 -0.366 0.000 2.641 572 R HA 0.539 4.879 4.340 -0.001 0.000 0.269 572 R C -2.508 173.486 176.300 -0.509 0.000 1.074 572 R CA -1.286 54.275 56.100 -0.898 0.000 1.133 572 R CB 0.312 30.003 30.300 -1.015 0.000 1.029 572 R HN 0.153 nan 8.270 nan 0.000 0.488 573 P HA 0.076 nan 4.420 nan 0.000 0.271 573 P C -0.980 176.042 177.300 -0.463 0.000 1.216 573 P CA -0.006 62.858 63.100 -0.393 0.000 0.771 573 P CB 0.626 32.106 31.700 -0.366 0.000 0.864 574 R N 1.978 122.252 120.500 -0.376 0.000 2.343 574 R HA 0.430 4.769 4.340 -0.001 0.000 0.320 574 R C -0.433 175.683 176.300 -0.308 0.000 0.956 574 R CA -1.145 54.774 56.100 -0.300 0.000 0.836 574 R CB 1.852 32.046 30.300 -0.177 0.000 1.151 574 R HN 0.314 nan 8.270 nan 0.000 0.450 575 V N 3.959 123.689 119.914 -0.306 0.000 2.614 575 V HA 0.098 4.217 4.120 -0.001 0.000 0.291 575 V C -0.159 175.985 176.094 0.083 0.000 1.049 575 V CA -0.467 61.814 62.300 -0.033 0.000 1.038 575 V CB 0.991 32.890 31.823 0.125 0.000 0.980 575 V HN 0.660 nan 8.190 nan 0.000 0.481 576 N N 5.555 124.356 118.700 0.169 0.000 2.488 576 N HA 0.238 4.977 4.740 -0.001 0.000 0.274 576 N C -0.461 175.140 175.510 0.151 0.000 1.111 576 N CA -0.093 53.022 53.050 0.108 0.000 0.974 576 N CB 0.969 39.516 38.487 0.099 0.000 1.089 576 N HN 0.645 nan 8.380 nan 0.000 0.465 577 K N 1.804 122.186 120.400 -0.029 0.000 2.401 577 K HA 0.184 4.504 4.320 -0.001 0.000 0.278 577 K C 0.403 177.037 176.600 0.057 0.000 1.018 577 K CA -0.133 56.061 56.287 -0.156 0.000 0.981 577 K CB 0.812 33.099 32.500 -0.355 0.000 0.933 577 K HN 0.408 nan 8.250 nan 0.000 0.477 578 I N 1.523 122.207 120.570 0.190 0.000 2.754 578 I HA -0.075 4.095 4.170 -0.001 0.000 0.285 578 I C 1.505 177.667 176.117 0.076 0.000 1.166 578 I CA 1.249 62.642 61.300 0.156 0.000 1.417 578 I CB 0.598 38.711 38.000 0.187 0.000 1.382 578 I HN 0.976 nan 8.210 nan 0.000 0.588 579 G N 3.396 112.229 108.800 0.054 0.000 2.212 579 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.266 579 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.266 579 G C 0.436 175.357 174.900 0.035 0.000 0.978 579 G CA 0.389 45.510 45.100 0.035 0.000 0.632 579 G HN 0.873 nan 8.290 nan 0.000 0.537 580 S N -0.718 115.004 115.700 0.036 0.000 2.572 580 S HA 0.363 4.833 4.470 -0.001 0.000 0.267 580 S C 1.037 175.683 174.600 0.077 0.000 1.361 580 S CA 0.526 58.757 58.200 0.052 0.000 1.009 580 S CB 0.849 64.070 63.200 0.034 0.000 0.888 580 S HN 1.023 nan 8.310 nan 0.000 0.553 581 Y N 1.534 121.824 120.300 -0.017 0.000 2.109 581 Y HA -0.059 4.490 4.550 -0.001 0.000 0.285 581 Y C 1.918 177.806 175.900 -0.019 0.000 1.131 581 Y CA 1.545 59.634 58.100 -0.017 0.000 1.121 581 Y CB -0.644 37.805 38.460 -0.019 0.000 0.987 581 Y HN 0.550 nan 8.280 nan 0.000 0.495 582 L N 1.056 122.289 121.223 0.016 0.000 2.081 582 L HA -0.250 4.089 4.340 -0.001 0.000 0.212 582 L C 2.132 178.933 176.870 -0.116 0.000 1.080 582 L CA 2.237 57.032 54.840 -0.075 0.000 0.754 582 L CB -1.380 40.704 42.059 0.041 0.000 0.893 582 L HN 0.371 nan 8.230 nan 0.000 0.433 583 D N -0.843 119.523 120.400 -0.057 0.000 2.106 583 D HA -0.238 4.401 4.640 -0.001 0.000 0.191 583 D C 2.453 178.683 176.300 -0.117 0.000 0.997 583 D CA 1.283 55.254 54.000 -0.049 0.000 0.834 583 D CB -0.044 40.765 40.800 0.014 0.000 0.956 583 D HN 0.097 nan 8.370 nan 0.000 0.448 584 R N 0.038 120.454 120.500 -0.140 0.000 2.073 584 R HA -0.108 4.231 4.340 -0.001 0.000 0.234 584 R C 2.287 178.454 176.300 -0.222 0.000 1.134 584 R CA 1.141 57.144 56.100 -0.161 0.000 0.952 584 R CB -0.682 29.530 30.300 -0.147 0.000 0.850 584 R HN 0.186 nan 8.270 nan 0.000 0.433 585 V N 1.438 121.152 119.914 -0.335 0.000 2.295 585 V HA -0.266 3.853 4.120 -0.001 0.000 0.246 585 V C 2.469 178.431 176.094 -0.219 0.000 1.049 585 V CA 1.870 63.986 62.300 -0.306 0.000 1.024 585 V CB -0.373 31.200 31.823 -0.418 0.000 0.648 585 V HN 0.463 nan 8.190 nan 0.000 0.447 586 Q N -0.679 118.992 119.800 -0.215 0.000 2.084 586 Q HA -0.257 4.082 4.340 -0.001 0.000 0.202 586 Q C 2.353 178.147 176.000 -0.343 0.000 0.978 586 Q CA 1.617 57.285 55.803 -0.225 0.000 0.844 586 Q CB -0.192 28.430 28.738 -0.193 0.000 0.898 586 Q HN 0.586 nan 8.270 nan 0.000 0.426 587 K N 0.864 121.052 120.400 -0.352 0.000 2.026 587 K HA -0.189 4.131 4.320 -0.001 0.000 0.208 587 K C 1.934 178.405 176.600 -0.214 0.000 1.048 587 K CA 1.172 57.228 56.287 -0.385 0.000 0.929 587 K CB -0.062 32.312 32.500 -0.209 0.000 0.713 587 K HN 0.172 nan 8.250 nan 0.000 0.439 588 E N 0.531 120.637 120.200 -0.156 0.000 2.331 588 E HA -0.183 4.166 4.350 -0.001 0.000 0.199 588 E C 1.692 178.239 176.600 -0.088 0.000 1.008 588 E CA 0.913 57.252 56.400 -0.101 0.000 0.843 588 E CB 0.231 29.872 29.700 -0.097 0.000 0.761 588 E HN 0.175 nan 8.360 nan 0.000 0.507 589 R N -1.613 118.816 120.500 -0.118 0.000 2.237 589 R HA 0.087 4.427 4.340 -0.001 0.000 0.195 589 R C 1.225 177.489 176.300 -0.061 0.000 0.956 589 R CA 0.606 56.656 56.100 -0.084 0.000 1.029 589 R CB 0.683 30.930 30.300 -0.089 0.000 0.972 589 R HN 0.243 nan 8.270 nan 0.000 0.493 590 G N 1.873 110.615 108.800 -0.096 0.000 2.136 590 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.242 590 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.242 590 G C -0.375 174.545 174.900 0.034 0.000 0.989 590 G CA 0.380 45.487 45.100 0.013 0.000 0.682 590 G HN 0.360 nan 8.290 nan 0.000 0.522 591 D N -0.559 119.771 120.400 -0.116 0.000 2.514 591 D HA 0.535 5.174 4.640 -0.001 0.000 0.267 591 D C 1.120 177.385 176.300 -0.058 0.000 1.165 591 D CA -0.921 53.066 54.000 -0.022 0.000 0.958 591 D CB -0.099 40.682 40.800 -0.031 0.000 0.992 591 D HN 0.255 nan 8.370 nan 0.000 0.506 592 Y N 0.775 121.107 120.300 0.053 0.000 2.243 592 Y HA 0.001 4.551 4.550 -0.001 0.000 0.293 592 Y C 0.658 176.619 175.900 0.102 0.000 1.124 592 Y CA 0.722 58.852 58.100 0.049 0.000 1.159 592 Y CB -0.046 38.418 38.460 0.007 0.000 1.008 592 Y HN 0.317 nan 8.280 nan 0.000 0.527 593 Y N 0.908 121.288 120.300 0.133 0.000 2.717 593 Y HA 0.421 4.970 4.550 -0.001 0.000 0.329 593 Y C -0.099 175.871 175.900 0.117 0.000 1.017 593 Y CA -1.016 57.148 58.100 0.108 0.000 1.275 593 Y CB 0.478 38.975 38.460 0.062 0.000 1.109 593 Y HN -0.243 nan 8.280 nan 0.000 0.511 594 S N 5.154 120.865 115.700 0.018 0.000 2.562 594 S HA 0.278 4.748 4.470 -0.001 0.000 0.275 594 S C 0.905 175.460 174.600 -0.075 0.000 1.281 594 S CA -0.708 57.492 58.200 -0.000 0.000 1.045 594 S CB 0.666 63.866 63.200 0.001 0.000 0.962 594 S HN 0.813 nan 8.310 nan 0.000 0.503 595 M N 3.383 122.977 119.600 -0.010 0.000 2.509 595 M HA 0.176 4.655 4.480 -0.001 0.000 0.250 595 M C 0.330 176.624 176.300 -0.009 0.000 1.132 595 M CA 0.279 55.575 55.300 -0.007 0.000 1.080 595 M CB -0.814 31.812 32.600 0.043 0.000 1.408 595 M HN 0.331 nan 8.290 nan 0.000 0.484 596 V N 2.401 122.310 119.914 -0.008 0.000 2.694 596 V HA -0.049 4.070 4.120 -0.001 0.000 0.306 596 V C 0.747 176.831 176.094 -0.017 0.000 1.054 596 V CA -0.068 62.228 62.300 -0.006 0.000 1.161 596 V CB 0.317 32.139 31.823 -0.002 0.000 0.916 596 V HN 0.256 nan 8.190 nan 0.000 0.490 597 L N 4.516 125.732 121.223 -0.012 0.000 2.360 597 L HA 0.183 4.522 4.340 -0.001 0.000 0.276 597 L C 0.948 177.808 176.870 -0.017 0.000 1.121 597 L CA 0.310 55.139 54.840 -0.018 0.000 0.845 597 L CB 0.946 42.998 42.059 -0.012 0.000 1.143 597 L HN 0.679 nan 8.230 nan 0.000 0.452 598 S N 1.448 117.131 115.700 -0.028 0.000 2.558 598 S HA -0.099 4.371 4.470 -0.001 0.000 0.291 598 S C 1.314 175.906 174.600 -0.013 0.000 1.306 598 S CA -0.083 58.103 58.200 -0.023 0.000 1.056 598 S CB 0.810 63.986 63.200 -0.040 0.000 0.836 598 S HN 0.743 nan 8.310 nan 0.000 0.504 599 T N 2.796 117.350 114.554 -0.000 0.000 3.113 599 T HA 0.075 4.425 4.350 -0.001 0.000 0.263 599 T C 0.509 175.204 174.700 -0.008 0.000 1.143 599 T CA 0.973 63.076 62.100 0.005 0.000 1.090 599 T CB -0.165 68.721 68.868 0.030 0.000 0.922 599 T HN 0.684 nan 8.240 nan 0.000 0.521 600 Q N 0.000 119.790 119.800 -0.016 0.000 2.315 600 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 600 Q CA 0.000 55.788 55.803 -0.024 0.000 1.022 600 Q CB 0.000 28.723 28.738 -0.025 0.000 1.108 600 Q HN 0.000 nan 8.270 nan 0.000 0.481