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 1y2m_1_D DATA FIRST_RESID 26 DATA SEQUENCE ASTNLAVXXX XXXTTQVTQV DIVEKXLAAP TDSTLELDGY SLNLGDVVSA DATA SEQUENCE ARKGRPVRVK DSDEIRSKID KSVEFLRSXX XXXXXXXXXX XXXXXXXXTE DATA SEQUENCE DAISLQKALL EHQLCGVLPS SFDSFRLGRG LENSLPLEVV RGAXTIRVNS DATA SEQUENCE LTRGHSAVRL VVLEALTNFL NHGITPIVPL RGTISASGDL SPLSYIAAAI DATA SEQUENCE SGHPDSKVHV VHEGKEKILY AREAXALFNL EPVVLGPKEG LGLVNGTAVS DATA SEQUENCE ASXATLALHD AHXLSLLSQS LTAXTVEAXV GHAGSFHPFL HDVTRPHPTQ DATA SEQUENCE IEVAGNIRKL LEGSRFAVHH EEEVXXXXDE GILRQDRYPL RTSPQWLGPL DATA SEQUENCE VSDLIHAHAV LTIEAGQSTT DNPLIDVENK TSHHGGNFQA AAVANTXEKT DATA SEQUENCE RLGLAQIGKL NFTQLTEXLN AGXNRGLPSC LAAEDPSLSY HCKGLDIAAA DATA SEQUENCE AYTSELGHLA NPVTTHVQPA EXANQAVNSL ALISARRTTE SNDVLSLLLA DATA SEQUENCE THLYCVLQAI DLRAIEFEFK KQFGPAIVSL IDQHFGSAXT GSNLRDELVE DATA SEQUENCE KVNKTLAKRL EQTNSYDLVP RWHDAFSFAA GTVVEVLSST SLSLAAVNAW DATA SEQUENCE KVAAAESAIS LTRQVRETFW SAASTSSPAL SYLSPRTQIL YAFVREELGV DATA SEQUENCE KARRGDVFLG KQEVTIGSNV SKIYEAIKSG RINNVLLKXL A 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 26 A HA 0.000 nan 4.320 nan 0.000 0.244 26 A C 0.000 177.615 177.584 0.051 0.000 1.274 26 A CA 0.000 52.093 52.037 0.094 0.000 0.836 26 A CB 0.000 19.074 19.000 0.123 0.000 0.831 27 S N 0.550 116.276 115.700 0.044 0.000 2.549 27 S HA 0.421 4.891 4.470 0.000 0.000 0.279 27 S C 1.477 176.092 174.600 0.025 0.000 1.321 27 S CA 0.652 58.869 58.200 0.030 0.000 1.054 27 S CB 0.394 63.612 63.200 0.029 0.000 0.899 27 S HN 1.737 nan 8.310 nan 0.000 0.497 28 T N 1.536 116.099 114.554 0.015 0.000 3.086 28 T HA 0.136 4.486 4.350 0.000 0.000 0.250 28 T C 0.484 175.187 174.700 0.006 0.000 1.074 28 T CA -0.319 61.787 62.100 0.010 0.000 0.988 28 T CB -0.387 68.484 68.868 0.006 0.000 0.988 28 T HN 0.518 nan 8.240 nan 0.000 0.530 29 N N 1.609 120.313 118.700 0.006 0.000 2.431 29 N HA 0.152 4.892 4.740 0.000 0.000 0.265 29 N C 0.913 176.423 175.510 -0.001 0.000 1.184 29 N CA -0.392 52.658 53.050 -0.000 0.000 0.943 29 N CB 0.317 38.803 38.487 -0.002 0.000 1.080 29 N HN 0.276 nan 8.380 nan 0.000 0.477 30 L N 2.868 124.085 121.223 -0.009 0.000 2.201 30 L HA -0.108 4.232 4.340 0.000 0.000 0.212 30 L C 2.120 178.967 176.870 -0.038 0.000 1.105 30 L CA 1.023 55.854 54.840 -0.015 0.000 0.775 30 L CB -0.454 41.594 42.059 -0.017 0.000 0.913 30 L HN 0.681 nan 8.230 nan 0.000 0.440 31 A N -0.218 122.573 122.820 -0.049 0.000 1.978 31 A HA -0.050 4.270 4.320 0.000 0.000 0.220 31 A C 1.385 178.927 177.584 -0.071 0.000 1.170 31 A CA 0.788 52.774 52.037 -0.084 0.000 0.636 31 A CB -0.568 18.391 19.000 -0.069 0.000 0.810 31 A HN 0.156 nan 8.150 nan 0.000 0.448 40 T N 1.573 116.134 114.554 0.012 0.000 3.160 40 T HA 0.087 4.437 4.350 0.000 0.000 0.257 40 T C 1.346 176.046 174.700 -0.001 0.000 1.147 40 T CA 0.556 62.661 62.100 0.007 0.000 1.064 40 T CB -0.065 68.808 68.868 0.008 0.000 0.949 40 T HN 0.668 nan 8.240 nan 0.000 0.526 41 Q N 0.175 119.973 119.800 -0.002 0.000 2.451 41 Q HA 0.338 4.678 4.340 0.000 0.000 0.206 41 Q C -0.056 175.934 176.000 -0.016 0.000 0.947 41 Q CA 0.147 55.945 55.803 -0.008 0.000 0.937 41 Q CB 0.587 29.322 28.738 -0.005 0.000 1.025 41 Q HN 0.425 nan 8.270 nan 0.000 0.511 42 V N 0.802 120.704 119.914 -0.020 0.000 2.775 42 V HA 0.210 4.330 4.120 0.000 0.000 0.295 42 V C -0.824 175.241 176.094 -0.048 0.000 1.226 42 V CA -0.452 61.825 62.300 -0.038 0.000 0.934 42 V CB 2.049 33.847 31.823 -0.042 0.000 1.056 42 V HN 0.277 nan 8.190 nan 0.000 0.436 43 T N 1.843 116.357 114.554 -0.066 0.000 2.952 43 T HA 0.400 4.750 4.350 0.000 0.000 0.286 43 T C 0.779 175.407 174.700 -0.120 0.000 1.024 43 T CA 0.152 62.211 62.100 -0.070 0.000 1.029 43 T CB 1.878 70.711 68.868 -0.058 0.000 1.094 43 T HN 0.729 nan 8.240 nan 0.000 0.515 44 Q N 0.058 119.791 119.800 -0.112 0.000 2.096 44 Q HA -0.106 4.234 4.340 0.000 0.000 0.204 44 Q C 2.031 177.909 176.000 -0.205 0.000 0.982 44 Q CA 1.643 57.335 55.803 -0.184 0.000 0.850 44 Q CB -0.426 28.257 28.738 -0.091 0.000 0.901 44 Q HN 0.666 nan 8.270 nan 0.000 0.422 45 V N 1.503 121.338 119.914 -0.132 0.000 2.287 45 V HA -0.293 3.827 4.120 0.000 0.000 0.248 45 V C 1.748 177.762 176.094 -0.134 0.000 1.053 45 V CA 2.151 64.379 62.300 -0.121 0.000 1.027 45 V CB -0.601 31.172 31.823 -0.083 0.000 0.646 45 V HN 0.449 nan 8.190 nan 0.000 0.447 46 D N -0.016 120.308 120.400 -0.127 0.000 2.104 46 D HA -0.159 4.481 4.640 0.000 0.000 0.194 46 D C 2.067 178.271 176.300 -0.161 0.000 0.994 46 D CA 1.527 55.456 54.000 -0.118 0.000 0.830 46 D CB -0.253 40.486 40.800 -0.101 0.000 0.959 46 D HN 0.408 nan 8.370 nan 0.000 0.452 47 I N 0.450 120.871 120.570 -0.248 0.000 2.179 47 I HA -0.232 3.938 4.170 0.000 0.000 0.242 47 I C 2.475 178.406 176.117 -0.310 0.000 1.088 47 I CA 0.620 61.699 61.300 -0.370 0.000 1.357 47 I CB -0.176 37.431 38.000 -0.655 0.000 1.051 47 I HN -0.105 nan 8.210 nan 0.000 0.409 48 V N 0.735 120.464 119.914 -0.309 0.000 2.295 48 V HA -0.315 3.805 4.120 0.000 0.000 0.246 48 V C 2.498 178.519 176.094 -0.122 0.000 1.049 48 V CA 2.193 64.363 62.300 -0.217 0.000 1.024 48 V CB -0.632 31.070 31.823 -0.201 0.000 0.648 48 V HN 0.493 nan 8.190 nan 0.000 0.447 49 E N 0.531 120.666 120.200 -0.110 0.000 2.070 49 E HA -0.232 4.118 4.350 0.000 0.000 0.197 49 E C 1.611 178.182 176.600 -0.048 0.000 1.004 49 E CA 1.205 57.563 56.400 -0.070 0.000 0.805 49 E CB -0.020 29.640 29.700 -0.066 0.000 0.744 49 E HN 0.541 nan 8.360 nan 0.000 0.451 53 A N 1.084 123.913 122.820 0.016 0.000 2.235 53 A HA 0.527 4.847 4.320 0.000 0.000 0.208 53 A C 1.220 178.814 177.584 0.018 0.000 1.172 53 A CA 0.699 52.742 52.037 0.011 0.000 0.786 53 A CB -0.367 18.634 19.000 0.002 0.000 0.804 53 A HN 0.295 nan 8.150 nan 0.000 0.479 54 A N 1.488 124.326 122.820 0.029 0.000 2.548 54 A HA 0.459 4.779 4.320 0.000 0.000 0.247 54 A C -2.067 175.528 177.584 0.018 0.000 1.067 54 A CA -0.838 51.215 52.037 0.026 0.000 0.757 54 A CB -0.435 18.586 19.000 0.034 0.000 0.996 54 A HN 0.294 nan 8.150 nan 0.000 0.504 55 P HA 0.132 nan 4.420 nan 0.000 0.268 55 P C 0.926 178.230 177.300 0.007 0.000 1.208 55 P CA 0.395 63.500 63.100 0.009 0.000 0.777 55 P CB 0.563 32.267 31.700 0.007 0.000 0.875 56 T N -3.676 110.881 114.554 0.005 0.000 2.971 56 T HA 0.029 4.379 4.350 0.000 0.000 0.252 56 T C 0.832 175.532 174.700 0.000 0.000 1.022 56 T CA 0.153 62.255 62.100 0.002 0.000 0.980 56 T CB -0.239 68.631 68.868 0.003 0.000 1.044 56 T HN 0.345 nan 8.240 nan 0.000 0.501 57 D N 2.585 122.986 120.400 0.002 0.000 2.369 57 D HA 0.054 4.694 4.640 0.000 0.000 0.231 57 D C 1.166 177.466 176.300 -0.001 0.000 0.967 57 D CA 0.416 54.417 54.000 0.001 0.000 0.905 57 D CB -0.846 39.956 40.800 0.004 0.000 1.044 57 D HN 0.514 nan 8.370 nan 0.000 0.487 58 S N 0.321 116.021 115.700 0.001 0.000 2.576 58 S HA 0.279 4.749 4.470 0.000 0.000 0.276 58 S C 0.330 174.929 174.600 -0.002 0.000 1.339 58 S CA -0.663 57.537 58.200 0.000 0.000 1.039 58 S CB 0.582 63.783 63.200 0.002 0.000 0.902 58 S HN 0.119 nan 8.310 nan 0.000 0.516 59 T N 3.314 117.866 114.554 -0.003 0.000 2.902 59 T HA 0.116 4.466 4.350 0.000 0.000 0.301 59 T C 0.069 174.768 174.700 -0.002 0.000 1.012 59 T CA -0.245 61.852 62.100 -0.005 0.000 1.151 59 T CB -0.104 68.760 68.868 -0.006 0.000 0.946 59 T HN 0.566 nan 8.240 nan 0.000 0.542 60 L N 4.587 125.808 121.223 -0.003 0.000 2.369 60 L HA 0.250 4.590 4.340 0.000 0.000 0.279 60 L C 0.217 177.088 176.870 0.000 0.000 1.108 60 L CA 0.275 55.115 54.840 -0.001 0.000 0.852 60 L CB -0.060 41.997 42.059 -0.003 0.000 1.169 60 L HN 0.561 nan 8.230 nan 0.000 0.452 61 E N 6.075 126.277 120.200 0.005 0.000 2.146 61 E HA 0.304 4.654 4.350 0.000 0.000 0.282 61 E C -1.019 175.587 176.600 0.010 0.000 0.989 61 E CA -0.509 55.895 56.400 0.006 0.000 0.799 61 E CB 1.230 30.935 29.700 0.008 0.000 1.088 61 E HN 0.590 nan 8.360 nan 0.000 0.397 62 L N 3.711 124.938 121.223 0.007 0.000 2.265 62 L HA 0.182 4.522 4.340 0.000 0.000 0.288 62 L C 0.541 177.422 176.870 0.018 0.000 1.058 62 L CA -0.171 54.673 54.840 0.007 0.000 0.809 62 L CB 0.513 42.569 42.059 -0.005 0.000 1.179 62 L HN 0.604 nan 8.230 nan 0.000 0.429 63 D N 0.244 120.667 120.400 0.039 0.000 2.500 63 D HA 0.162 4.802 4.640 0.000 0.000 0.217 63 D C 1.136 177.517 176.300 0.135 0.000 1.159 63 D CA 0.365 54.412 54.000 0.078 0.000 0.828 63 D CB 0.935 41.790 40.800 0.090 0.000 1.039 63 D HN 0.641 nan 8.370 nan 0.000 0.512 64 G N -0.393 108.422 108.800 0.024 0.000 2.176 64 G HA2 -0.369 3.591 3.960 0.000 0.000 0.253 64 G HA3 -0.369 3.591 3.960 0.000 0.000 0.253 64 G C 0.452 175.061 174.900 -0.484 0.000 0.979 64 G CA 0.651 45.646 45.100 -0.175 0.000 0.641 64 G HN 0.415 nan 8.290 nan 0.000 0.530 65 Y N -0.741 119.551 120.300 -0.013 0.000 2.619 65 Y HA 0.290 4.840 4.550 0.000 0.000 0.273 65 Y C 2.502 178.399 175.900 -0.004 0.000 1.175 65 Y CA 0.829 58.925 58.100 -0.006 0.000 1.157 65 Y CB 0.127 38.583 38.460 -0.007 0.000 1.329 65 Y HN 0.205 nan 8.280 nan 0.000 0.503 66 S N 0.584 116.367 115.700 0.138 0.000 2.496 66 S HA 0.038 4.509 4.470 0.000 0.000 0.224 66 S C 0.466 175.093 174.600 0.045 0.000 0.996 66 S CA -0.064 58.186 58.200 0.083 0.000 0.927 66 S CB -0.186 63.054 63.200 0.067 0.000 0.774 66 S HN 0.145 nan 8.310 nan 0.000 0.524 67 L N 4.262 125.500 121.223 0.025 0.000 2.513 67 L HA 0.192 4.532 4.340 0.000 0.000 0.272 67 L C -0.091 176.784 176.870 0.008 0.000 1.187 67 L CA -0.005 54.840 54.840 0.008 0.000 0.895 67 L CB -0.111 41.941 42.059 -0.013 0.000 1.147 67 L HN 0.252 nan 8.230 nan 0.000 0.483 68 N N 3.505 122.215 118.700 0.016 0.000 2.531 68 N HA 0.379 5.119 4.740 0.000 0.000 0.290 68 N C 0.531 176.051 175.510 0.016 0.000 1.257 68 N CA -0.861 52.203 53.050 0.024 0.000 0.863 68 N CB 0.492 39.011 38.487 0.053 0.000 1.320 68 N HN 0.482 nan 8.380 nan 0.000 0.538 69 L N -0.750 120.482 121.223 0.015 0.000 2.046 69 L HA 0.008 4.348 4.340 0.000 0.000 0.208 69 L C 2.318 179.225 176.870 0.061 0.000 1.077 69 L CA 1.743 56.584 54.840 0.002 0.000 0.747 69 L CB -1.019 40.985 42.059 -0.092 0.000 0.896 69 L HN 0.865 nan 8.230 nan 0.000 0.432 70 G N -0.092 108.772 108.800 0.107 0.000 2.440 70 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 70 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 70 G C 1.154 176.082 174.900 0.047 0.000 1.154 70 G CA 0.894 46.058 45.100 0.106 0.000 0.767 70 G HN 0.296 nan 8.290 nan 0.000 0.552 71 D N 0.282 120.702 120.400 0.033 0.000 2.092 71 D HA -0.111 4.529 4.640 0.000 0.000 0.193 71 D C 2.819 179.117 176.300 -0.004 0.000 0.994 71 D CA 1.028 55.036 54.000 0.013 0.000 0.828 71 D CB -0.602 40.205 40.800 0.012 0.000 0.963 71 D HN 0.189 nan 8.370 nan 0.000 0.450 72 V N 0.913 120.823 119.914 -0.008 0.000 2.282 72 V HA -0.238 3.882 4.120 0.000 0.000 0.249 72 V C 2.719 178.788 176.094 -0.042 0.000 1.057 72 V CA 1.237 63.523 62.300 -0.024 0.000 1.032 72 V CB -0.598 31.208 31.823 -0.028 0.000 0.645 72 V HN 0.058 nan 8.190 nan 0.000 0.447 73 V N 1.043 120.924 119.914 -0.056 0.000 2.407 73 V HA -0.247 3.873 4.120 0.000 0.000 0.248 73 V C 2.722 178.760 176.094 -0.093 0.000 1.055 73 V CA 2.259 64.485 62.300 -0.123 0.000 1.049 73 V CB -0.941 30.740 31.823 -0.238 0.000 0.662 73 V HN 0.787 nan 8.190 nan 0.000 0.455 74 S N 1.178 116.849 115.700 -0.048 0.000 2.382 74 S HA -0.163 4.307 4.470 0.000 0.000 0.228 74 S C 2.077 176.660 174.600 -0.029 0.000 1.027 74 S CA 1.424 59.605 58.200 -0.030 0.000 0.991 74 S CB -0.522 62.673 63.200 -0.009 0.000 0.823 74 S HN 0.579 nan 8.310 nan 0.000 0.469 75 A N 1.948 124.752 122.820 -0.028 0.000 1.897 75 A HA 0.458 4.778 4.320 0.000 0.000 0.215 75 A C 2.531 180.097 177.584 -0.029 0.000 1.181 75 A CA 1.491 53.514 52.037 -0.024 0.000 0.620 75 A CB -1.393 17.595 19.000 -0.019 0.000 0.821 75 A HN 0.844 nan 8.150 nan 0.000 0.443 76 A N -0.520 122.275 122.820 -0.041 0.000 1.898 76 A HA -0.069 4.251 4.320 0.000 0.000 0.216 76 A C 2.272 179.827 177.584 -0.048 0.000 1.181 76 A CA 1.488 53.498 52.037 -0.044 0.000 0.620 76 A CB -0.263 18.703 19.000 -0.057 0.000 0.819 76 A HN 0.500 nan 8.150 nan 0.000 0.442 77 R N -1.675 118.789 120.500 -0.060 0.000 2.250 77 R HA 0.139 4.479 4.340 0.000 0.000 0.194 77 R C 0.612 176.889 176.300 -0.039 0.000 0.927 77 R CA 0.343 56.408 56.100 -0.058 0.000 1.052 77 R CB 0.261 30.508 30.300 -0.088 0.000 1.055 77 R HN 0.174 nan 8.270 nan 0.000 0.537 78 K N -0.197 120.183 120.400 -0.033 0.000 2.387 78 K HA 0.229 4.549 4.320 0.000 0.000 0.203 78 K C 0.650 177.243 176.600 -0.012 0.000 1.030 78 K CA 0.482 56.758 56.287 -0.018 0.000 1.099 78 K CB 1.454 33.944 32.500 -0.016 0.000 0.863 78 K HN 0.304 nan 8.250 nan 0.000 0.529 79 G N 2.600 111.392 108.800 -0.015 0.000 2.160 79 G HA2 -0.343 3.617 3.960 0.000 0.000 0.251 79 G HA3 -0.343 3.617 3.960 0.000 0.000 0.251 79 G C 0.098 174.989 174.900 -0.015 0.000 1.008 79 G CA 0.390 45.482 45.100 -0.012 0.000 0.724 79 G HN 0.379 nan 8.290 nan 0.000 0.514 80 R N 0.729 121.220 120.500 -0.015 0.000 2.522 80 R HA 0.332 4.672 4.340 0.000 0.000 0.284 80 R C -1.952 174.336 176.300 -0.020 0.000 1.032 80 R CA -1.013 55.078 56.100 -0.014 0.000 1.049 80 R CB 0.328 30.621 30.300 -0.011 0.000 0.956 80 R HN 0.106 nan 8.270 nan 0.000 0.422 81 P HA 0.002 nan 4.420 nan 0.000 0.269 81 P C -1.197 176.090 177.300 -0.023 0.000 1.209 81 P CA -0.113 62.968 63.100 -0.032 0.000 0.776 81 P CB 0.832 32.513 31.700 -0.031 0.000 0.876 82 V N 4.322 124.221 119.914 -0.025 0.000 2.709 82 V HA 0.572 4.692 4.120 0.000 0.000 0.308 82 V C 0.066 176.151 176.094 -0.014 0.000 1.062 82 V CA -0.551 61.739 62.300 -0.015 0.000 0.901 82 V CB 2.134 33.950 31.823 -0.012 0.000 1.003 82 V HN 0.506 nan 8.190 nan 0.000 0.425 83 R N 1.773 122.268 120.500 -0.008 0.000 2.707 83 R HA 0.641 4.981 4.340 0.000 0.000 0.272 83 R C -1.452 174.847 176.300 -0.002 0.000 1.011 83 R CA -0.867 55.231 56.100 -0.004 0.000 0.893 83 R CB 2.526 32.824 30.300 -0.003 0.000 1.233 83 R HN 0.489 nan 8.270 nan 0.000 0.464 84 V N 2.657 122.571 119.914 -0.000 0.000 2.599 84 V HA -0.009 4.111 4.120 0.000 0.000 0.300 84 V C 0.664 176.761 176.094 0.005 0.000 1.034 84 V CA 0.095 62.395 62.300 0.001 0.000 1.115 84 V CB 0.615 32.438 31.823 -0.000 0.000 0.934 84 V HN 0.609 nan 8.190 nan 0.000 0.485 85 K N 3.366 123.771 120.400 0.008 0.000 2.524 85 K HA -0.061 4.259 4.320 0.000 0.000 0.279 85 K C 0.106 176.711 176.600 0.008 0.000 0.993 85 K CA -0.179 56.114 56.287 0.010 0.000 1.030 85 K CB 0.240 32.750 32.500 0.015 0.000 0.891 85 K HN 0.753 nan 8.250 nan 0.000 0.488 86 D N 2.967 123.372 120.400 0.007 0.000 2.435 86 D HA 0.068 4.708 4.640 0.000 0.000 0.230 86 D C -1.315 174.989 176.300 0.006 0.000 1.215 86 D CA 0.166 54.170 54.000 0.007 0.000 0.947 86 D CB 0.017 40.821 40.800 0.007 0.000 1.048 86 D HN 0.492 nan 8.370 nan 0.000 0.512 87 S N 2.442 118.146 115.700 0.006 0.000 2.543 87 S HA 0.227 4.697 4.470 0.000 0.000 0.273 87 S C 0.396 174.998 174.600 0.003 0.000 1.152 87 S CA -0.829 57.373 58.200 0.004 0.000 0.910 87 S CB 1.519 64.721 63.200 0.002 0.000 1.105 87 S HN 0.050 nan 8.310 nan 0.000 0.465 88 D N 2.526 122.927 120.400 0.003 0.000 2.149 88 D HA -0.080 4.560 4.640 0.000 0.000 0.198 88 D C 1.550 177.851 176.300 0.001 0.000 0.990 88 D CA 1.637 55.639 54.000 0.003 0.000 0.839 88 D CB -0.012 40.790 40.800 0.003 0.000 0.948 88 D HN 0.819 nan 8.370 nan 0.000 0.460 89 E N -0.002 120.197 120.200 -0.002 0.000 2.051 89 E HA -0.140 4.210 4.350 0.000 0.000 0.192 89 E C 2.147 178.746 176.600 -0.003 0.000 0.991 89 E CA 0.521 56.918 56.400 -0.005 0.000 0.799 89 E CB 0.078 29.771 29.700 -0.012 0.000 0.748 89 E HN 0.184 nan 8.360 nan 0.000 0.449 90 I N 1.018 121.589 120.570 0.001 0.000 2.142 90 I HA -0.250 3.920 4.170 0.000 0.000 0.240 90 I C 2.289 178.407 176.117 0.001 0.000 1.078 90 I CA 1.483 62.786 61.300 0.004 0.000 1.343 90 I CB -1.129 36.877 38.000 0.010 0.000 1.046 90 I HN 0.099 nan 8.210 nan 0.000 0.405 91 R N 0.297 120.799 120.500 0.003 0.000 2.091 91 R HA -0.173 4.167 4.340 0.000 0.000 0.238 91 R C 2.534 178.838 176.300 0.006 0.000 1.136 91 R CA 1.788 57.891 56.100 0.005 0.000 0.959 91 R CB -0.527 29.777 30.300 0.007 0.000 0.856 91 R HN 0.319 nan 8.270 nan 0.000 0.437 92 S N 0.786 116.489 115.700 0.006 0.000 2.368 92 S HA -0.190 4.280 4.470 0.000 0.000 0.225 92 S C 1.922 176.528 174.600 0.009 0.000 1.030 92 S CA 1.483 59.688 58.200 0.009 0.000 0.999 92 S CB -0.010 63.195 63.200 0.007 0.000 0.844 92 S HN 0.234 nan 8.310 nan 0.000 0.459 93 K N 0.448 120.849 120.400 0.001 0.000 2.032 93 K HA -0.040 4.280 4.320 0.000 0.000 0.209 93 K C 2.001 178.597 176.600 -0.006 0.000 1.048 93 K CA 1.861 58.144 56.287 -0.006 0.000 0.927 93 K CB -0.354 32.136 32.500 -0.018 0.000 0.712 93 K HN 0.458 nan 8.250 nan 0.000 0.441 94 I N 1.315 121.880 120.570 -0.007 0.000 2.142 94 I HA -0.309 3.861 4.170 0.000 0.000 0.240 94 I C 1.737 177.863 176.117 0.015 0.000 1.078 94 I CA 1.486 62.785 61.300 -0.002 0.000 1.343 94 I CB -0.343 37.655 38.000 -0.004 0.000 1.046 94 I HN 0.248 nan 8.210 nan 0.000 0.405 95 D N 0.832 121.242 120.400 0.018 0.000 2.117 95 D HA -0.182 4.458 4.640 0.000 0.000 0.197 95 D C 2.141 178.466 176.300 0.042 0.000 0.987 95 D CA 1.234 55.250 54.000 0.026 0.000 0.829 95 D CB -0.262 40.551 40.800 0.022 0.000 0.961 95 D HN 0.177 nan 8.370 nan 0.000 0.460 96 K N 0.568 120.994 120.400 0.044 0.000 2.147 96 K HA -0.073 4.247 4.320 0.000 0.000 0.205 96 K C 2.208 178.870 176.600 0.103 0.000 1.049 96 K CA 1.083 57.410 56.287 0.067 0.000 0.936 96 K CB -0.025 32.505 32.500 0.050 0.000 0.722 96 K HN 0.145 nan 8.250 nan 0.000 0.446 97 S N -0.339 115.410 115.700 0.082 0.000 2.368 97 S HA -0.101 4.369 4.470 0.000 0.000 0.224 97 S C 2.070 176.760 174.600 0.149 0.000 1.029 97 S CA 1.101 59.369 58.200 0.115 0.000 0.988 97 S CB -0.610 62.632 63.200 0.070 0.000 0.838 97 S HN -0.002 nan 8.310 nan 0.000 0.462 98 V N 2.432 122.402 119.914 0.094 0.000 2.343 98 V HA -0.155 3.965 4.120 0.000 0.000 0.247 98 V C 2.941 179.082 176.094 0.077 0.000 1.051 98 V CA 2.324 64.669 62.300 0.075 0.000 1.036 98 V CB -0.963 30.887 31.823 0.045 0.000 0.654 98 V HN 0.533 nan 8.190 nan 0.000 0.451 99 E N 0.167 120.417 120.200 0.083 0.000 2.106 99 E HA -0.224 4.126 4.350 0.000 0.000 0.192 99 E C 1.894 178.540 176.600 0.077 0.000 0.984 99 E CA 1.384 57.823 56.400 0.065 0.000 0.806 99 E CB -0.498 29.240 29.700 0.062 0.000 0.750 99 E HN 0.528 nan 8.360 nan 0.000 0.458 100 F N 0.334 120.292 119.950 0.014 0.000 2.095 100 F HA -0.179 4.348 4.527 0.000 0.000 0.298 100 F C 1.919 177.726 175.800 0.012 0.000 1.104 100 F CA 1.510 59.519 58.000 0.014 0.000 1.232 100 F CB -0.524 38.488 39.000 0.020 0.000 0.987 100 F HN 0.208 nan 8.300 nan 0.000 0.475 101 L N 1.227 122.461 121.223 0.018 0.000 2.093 101 L HA -0.072 4.268 4.340 0.000 0.000 0.208 101 L C 2.854 179.637 176.870 -0.145 0.000 1.085 101 L CA 2.432 57.220 54.840 -0.086 0.000 0.755 101 L CB -1.313 40.790 42.059 0.073 0.000 0.904 101 L HN 0.196 nan 8.230 nan 0.000 0.435 102 R N -0.174 120.278 120.500 -0.081 0.000 2.075 102 R HA 0.186 4.526 4.340 0.000 0.000 0.232 102 R C 1.608 177.843 176.300 -0.108 0.000 1.126 102 R CA 1.384 57.442 56.100 -0.070 0.000 0.963 102 R CB -1.913 28.369 30.300 -0.029 0.000 0.858 102 R HN 0.638 nan 8.270 nan 0.000 0.435 125 E N 2.058 122.255 120.200 -0.005 0.000 2.072 125 E HA -0.093 4.257 4.350 0.000 0.000 0.191 125 E C 1.318 177.916 176.600 -0.004 0.000 0.985 125 E CA 1.400 57.798 56.400 -0.005 0.000 0.801 125 E CB -0.136 29.560 29.700 -0.006 0.000 0.750 125 E HN 0.500 nan 8.360 nan 0.000 0.452 126 D N 0.879 121.277 120.400 -0.003 0.000 2.178 126 D HA -0.123 4.517 4.640 0.000 0.000 0.201 126 D C 1.910 178.210 176.300 0.001 0.000 0.980 126 D CA 1.124 55.123 54.000 -0.002 0.000 0.842 126 D CB -0.116 40.682 40.800 -0.002 0.000 0.948 126 D HN 0.154 nan 8.370 nan 0.000 0.472 127 A N 1.027 123.847 122.820 0.001 0.000 1.898 127 A HA -0.105 4.215 4.320 0.000 0.000 0.216 127 A C 2.367 179.954 177.584 0.005 0.000 1.181 127 A CA 0.677 52.716 52.037 0.004 0.000 0.620 127 A CB -0.636 18.366 19.000 0.003 0.000 0.819 127 A HN 0.140 nan 8.150 nan 0.000 0.442 128 I N -0.283 120.288 120.570 0.002 0.000 2.179 128 I HA -0.236 3.934 4.170 0.000 0.000 0.242 128 I C 2.687 178.805 176.117 0.003 0.000 1.088 128 I CA 1.493 62.794 61.300 0.001 0.000 1.357 128 I CB -0.286 37.712 38.000 -0.002 0.000 1.051 128 I HN 0.231 nan 8.210 nan 0.000 0.409 129 S N 0.754 116.455 115.700 0.002 0.000 2.368 129 S HA -0.176 4.294 4.470 0.000 0.000 0.225 129 S C 1.905 176.512 174.600 0.011 0.000 1.030 129 S CA 1.239 59.441 58.200 0.004 0.000 0.999 129 S CB -0.399 62.802 63.200 0.001 0.000 0.844 129 S HN 0.316 nan 8.310 nan 0.000 0.459 130 L N 2.098 123.328 121.223 0.012 0.000 2.083 130 L HA -0.115 4.225 4.340 0.000 0.000 0.209 130 L C 2.133 179.019 176.870 0.027 0.000 1.083 130 L CA 1.734 56.585 54.840 0.019 0.000 0.752 130 L CB -0.745 41.324 42.059 0.016 0.000 0.899 130 L HN 0.158 nan 8.230 nan 0.000 0.433 131 Q N 0.079 119.892 119.800 0.021 0.000 2.119 131 Q HA -0.188 4.152 4.340 0.000 0.000 0.201 131 Q C 2.203 178.218 176.000 0.025 0.000 0.972 131 Q CA 1.580 57.395 55.803 0.021 0.000 0.847 131 Q CB -0.445 28.301 28.738 0.013 0.000 0.903 131 Q HN 0.573 nan 8.270 nan 0.000 0.433 132 K N 0.708 121.122 120.400 0.024 0.000 2.097 132 K HA -0.010 4.310 4.320 0.000 0.000 0.205 132 K C 2.085 178.715 176.600 0.049 0.000 1.050 132 K CA 1.067 57.373 56.287 0.031 0.000 0.938 132 K CB -0.130 32.380 32.500 0.015 0.000 0.718 132 K HN 0.164 nan 8.250 nan 0.000 0.442 133 A N 1.340 124.192 122.820 0.053 0.000 1.930 133 A HA -0.100 4.220 4.320 0.000 0.000 0.217 133 A C 2.082 179.770 177.584 0.173 0.000 1.175 133 A CA 1.081 53.169 52.037 0.084 0.000 0.627 133 A CB -0.511 18.521 19.000 0.053 0.000 0.815 133 A HN 0.134 nan 8.150 nan 0.000 0.443 134 L N -0.535 120.768 121.223 0.134 0.000 2.017 134 L HA -0.185 4.155 4.340 0.000 0.000 0.208 134 L C 2.555 179.411 176.870 -0.024 0.000 1.073 134 L CA 1.214 56.147 54.840 0.155 0.000 0.745 134 L CB -0.552 41.552 42.059 0.075 0.000 0.894 134 L HN 0.380 nan 8.230 nan 0.000 0.432 135 L N -0.534 120.669 121.223 -0.033 0.000 2.093 135 L HA -0.209 4.131 4.340 0.000 0.000 0.208 135 L C 2.607 179.399 176.870 -0.130 0.000 1.085 135 L CA 1.305 56.077 54.840 -0.114 0.000 0.755 135 L CB -0.683 41.342 42.059 -0.057 0.000 0.904 135 L HN 0.395 nan 8.230 nan 0.000 0.435 136 E N 0.470 120.668 120.200 -0.004 0.000 2.070 136 E HA -0.298 4.052 4.350 0.000 0.000 0.197 136 E C 2.173 178.776 176.600 0.004 0.000 1.004 136 E CA 1.814 58.230 56.400 0.028 0.000 0.805 136 E CB -0.169 29.581 29.700 0.084 0.000 0.744 136 E HN 0.684 nan 8.360 nan 0.000 0.451 137 H N -0.924 118.131 119.070 -0.026 0.000 2.495 137 H HA 0.035 4.591 4.556 0.000 0.000 0.287 137 H C 1.468 176.780 175.328 -0.027 0.000 1.033 137 H CA 0.761 56.797 56.048 -0.021 0.000 1.307 137 H CB 0.110 29.863 29.762 -0.014 0.000 1.401 137 H HN 0.200 nan 8.280 nan 0.000 0.555 138 Q N 0.921 120.402 119.800 -0.532 0.000 2.424 138 Q HA 0.178 4.518 4.340 0.000 0.000 0.204 138 Q C 1.096 176.967 176.000 -0.216 0.000 0.933 138 Q CA 0.046 55.621 55.803 -0.380 0.000 0.929 138 Q CB 0.488 28.965 28.738 -0.434 0.000 1.037 138 Q HN 0.491 nan 8.270 nan 0.000 0.511 139 L N 1.643 122.691 121.223 -0.293 0.000 2.533 139 L HA 0.081 4.421 4.340 0.000 0.000 0.239 139 L C 0.712 177.545 176.870 -0.061 0.000 1.376 139 L CA -0.334 54.249 54.840 -0.427 0.000 1.240 139 L CB -0.345 41.354 42.059 -0.599 0.000 1.487 139 L HN 0.184 nan 8.230 nan 0.000 0.419 140 C N -3.056 116.307 119.300 0.105 0.000 3.386 140 C HA 0.540 5.000 4.460 0.000 0.000 0.279 140 C C 1.049 176.109 174.990 0.118 0.000 1.508 140 C CA -0.541 58.534 59.018 0.096 0.000 1.801 140 C CB -0.907 26.866 27.740 0.056 0.000 2.798 140 C HN 0.502 nan 8.230 nan 0.000 0.605 141 G N 0.743 109.655 108.800 0.187 0.000 2.511 141 G HA2 0.585 4.546 3.960 0.000 0.000 0.316 141 G HA3 0.585 4.546 3.960 0.000 0.000 0.316 141 G C -0.928 173.987 174.900 0.025 0.000 1.210 141 G CA -0.290 44.846 45.100 0.061 0.000 0.969 141 G HN 0.276 nan 8.290 nan 0.000 0.492 142 V N 0.570 120.467 119.914 -0.028 0.000 2.427 142 V HA 0.561 4.681 4.120 0.000 0.000 0.286 142 V C 0.051 176.106 176.094 -0.064 0.000 1.034 142 V CA -0.236 62.047 62.300 -0.027 0.000 0.893 142 V CB 0.902 32.712 31.823 -0.021 0.000 0.982 142 V HN 0.493 nan 8.190 nan 0.000 0.452 143 L N 5.386 126.582 121.223 -0.045 0.000 2.376 143 L HA 0.596 4.936 4.340 0.000 0.000 0.258 143 L C -2.316 174.539 176.870 -0.026 0.000 1.013 143 L CA -1.895 52.911 54.840 -0.056 0.000 0.822 143 L CB 2.727 44.748 42.059 -0.064 0.000 1.388 143 L HN 0.451 nan 8.230 nan 0.000 0.413 144 P HA 0.028 nan 4.420 nan 0.000 0.264 144 P C 0.369 177.673 177.300 0.007 0.000 1.193 144 P CA -0.073 63.040 63.100 0.021 0.000 0.763 144 P CB 0.900 32.664 31.700 0.106 0.000 0.810 145 S N 0.982 116.690 115.700 0.013 0.000 2.436 145 S HA 0.045 4.515 4.470 0.000 0.000 0.228 145 S C 0.855 175.435 174.600 -0.035 0.000 1.014 145 S CA 0.566 58.765 58.200 -0.001 0.000 0.950 145 S CB -0.139 63.072 63.200 0.019 0.000 0.784 145 S HN 0.626 nan 8.310 nan 0.000 0.504 146 S N -1.400 114.282 115.700 -0.030 0.000 2.570 146 S HA 0.603 5.073 4.470 0.000 0.000 0.270 146 S C -0.390 174.155 174.600 -0.091 0.000 1.149 146 S CA -0.727 57.427 58.200 -0.077 0.000 0.837 146 S CB 0.280 63.491 63.200 0.017 0.000 1.124 146 S HN 0.065 nan 8.310 nan 0.000 0.465 147 F N 1.687 121.551 119.950 -0.144 0.000 2.494 147 F HA 0.040 4.567 4.527 0.000 0.000 0.298 147 F C 1.805 177.571 175.800 -0.057 0.000 1.106 147 F CA 0.816 58.607 58.000 -0.348 0.000 1.452 147 F CB -0.230 38.514 39.000 -0.426 0.000 1.085 147 F HN 0.571 nan 8.300 nan 0.000 0.569 148 D N -0.643 119.862 120.400 0.175 0.000 2.265 148 D HA -0.141 4.499 4.640 0.000 0.000 0.208 148 D C 2.290 178.700 176.300 0.183 0.000 0.977 148 D CA 1.543 55.632 54.000 0.148 0.000 0.871 148 D CB -0.378 40.482 40.800 0.099 0.000 0.925 148 D HN 0.328 nan 8.370 nan 0.000 0.485 149 S N -0.705 115.146 115.700 0.252 0.000 2.501 149 S HA 0.010 4.480 4.470 0.000 0.000 0.220 149 S C 0.712 175.483 174.600 0.285 0.000 0.997 149 S CA -0.393 57.940 58.200 0.222 0.000 0.919 149 S CB -0.219 63.078 63.200 0.162 0.000 0.778 149 S HN -0.096 nan 8.310 nan 0.000 0.523 150 F N 2.945 122.954 119.950 0.099 0.000 2.450 150 F HA 0.580 5.107 4.527 0.000 0.000 0.339 150 F C 1.333 177.176 175.800 0.072 0.000 1.146 150 F CA -0.587 57.477 58.000 0.105 0.000 1.267 150 F CB 0.410 39.522 39.000 0.186 0.000 1.178 150 F HN 0.008 nan 8.300 nan 0.000 0.585 151 R N 0.914 121.536 120.500 0.203 0.000 2.781 151 R HA 0.369 4.709 4.340 0.000 0.000 0.269 151 R C -1.644 174.714 176.300 0.097 0.000 1.025 151 R CA -1.421 54.751 56.100 0.119 0.000 0.914 151 R CB 1.363 31.701 30.300 0.065 0.000 1.236 151 R HN 0.507 nan 8.270 nan 0.000 0.465 152 L N 1.503 122.768 121.223 0.070 0.000 2.559 152 L HA 0.180 4.520 4.340 0.000 0.000 0.274 152 L C 1.157 178.052 176.870 0.041 0.000 1.205 152 L CA 2.154 57.029 54.840 0.057 0.000 0.907 152 L CB -0.002 42.081 42.059 0.040 0.000 1.153 152 L HN 0.960 nan 8.230 nan 0.000 0.490 153 G N 3.253 112.080 108.800 0.045 0.000 2.168 153 G HA2 -0.236 3.724 3.960 0.000 0.000 0.263 153 G HA3 -0.236 3.724 3.960 0.000 0.000 0.263 153 G C 0.390 175.290 174.900 0.000 0.000 0.977 153 G CA 0.491 45.606 45.100 0.026 0.000 0.659 153 G HN 0.693 nan 8.290 nan 0.000 0.533 154 R N -1.827 118.664 120.500 -0.015 0.000 2.764 154 R HA 0.723 5.063 4.340 0.000 0.000 0.270 154 R C 0.807 176.977 176.300 -0.217 0.000 1.014 154 R CA 0.071 56.120 56.100 -0.084 0.000 0.904 154 R CB 1.175 31.438 30.300 -0.063 0.000 1.236 154 R HN 1.141 nan 8.270 nan 0.000 0.466 155 G N -0.330 108.244 108.800 -0.377 0.000 3.006 155 G HA2 -0.160 3.800 3.960 0.000 0.000 0.195 155 G HA3 -0.160 3.800 3.960 0.000 0.000 0.195 155 G C 0.225 174.615 174.900 -0.850 0.000 1.034 155 G CA -0.329 44.239 45.100 -0.888 0.000 0.807 155 G HN 0.354 nan 8.290 nan 0.000 0.469 156 L N 2.289 123.223 121.223 -0.481 0.000 2.818 156 L HA 0.235 4.575 4.340 0.000 0.000 0.243 156 L C 2.396 179.169 176.870 -0.163 0.000 1.185 156 L CA 0.546 55.227 54.840 -0.265 0.000 0.988 156 L CB 0.298 42.289 42.059 -0.113 0.000 1.292 156 L HN 0.474 nan 8.230 nan 0.000 0.519 157 E N -0.317 119.784 120.200 -0.165 0.000 2.209 157 E HA -0.232 4.118 4.350 0.000 0.000 0.196 157 E C 0.559 177.102 176.600 -0.095 0.000 0.993 157 E CA 1.169 57.503 56.400 -0.109 0.000 0.819 157 E CB -0.231 29.412 29.700 -0.095 0.000 0.745 157 E HN 0.395 nan 8.360 nan 0.000 0.477 158 N N 1.220 119.857 118.700 -0.106 0.000 2.370 158 N HA 0.007 4.747 4.740 0.000 0.000 0.198 158 N C -0.158 175.289 175.510 -0.105 0.000 1.156 158 N CA 0.492 53.486 53.050 -0.094 0.000 0.839 158 N CB 0.474 38.910 38.487 -0.085 0.000 0.989 158 N HN 0.290 nan 8.380 nan 0.000 0.468 159 S N -0.843 114.795 115.700 -0.103 0.000 2.607 159 S HA 0.525 4.995 4.470 0.000 0.000 0.303 159 S C -0.046 174.499 174.600 -0.092 0.000 1.086 159 S CA -0.893 57.242 58.200 -0.108 0.000 0.995 159 S CB 1.774 64.919 63.200 -0.091 0.000 1.084 159 S HN 0.026 nan 8.310 nan 0.000 0.507 160 L N 2.036 123.201 121.223 -0.096 0.000 2.456 160 L HA 0.325 4.665 4.340 0.000 0.000 0.272 160 L C -2.073 174.756 176.870 -0.068 0.000 1.189 160 L CA -1.836 52.959 54.840 -0.075 0.000 0.846 160 L CB 0.112 42.129 42.059 -0.070 0.000 1.111 160 L HN 0.519 nan 8.230 nan 0.000 0.475 161 P HA -0.037 nan 4.420 nan 0.000 0.265 161 P C 0.800 178.058 177.300 -0.071 0.000 1.187 161 P CA 0.044 63.106 63.100 -0.064 0.000 0.766 161 P CB 0.508 32.178 31.700 -0.051 0.000 0.820 162 L N 2.330 123.494 121.223 -0.097 0.000 2.042 162 L HA -0.247 4.093 4.340 0.000 0.000 0.210 162 L C 2.334 179.163 176.870 -0.068 0.000 1.076 162 L CA 1.889 56.664 54.840 -0.108 0.000 0.749 162 L CB -0.870 41.074 42.059 -0.192 0.000 0.893 162 L HN 0.540 nan 8.230 nan 0.000 0.432 163 E N -0.021 120.141 120.200 -0.064 0.000 2.110 163 E HA -0.167 4.183 4.350 0.000 0.000 0.193 163 E C 2.105 178.679 176.600 -0.043 0.000 0.988 163 E CA 1.439 57.808 56.400 -0.052 0.000 0.804 163 E CB -0.486 29.180 29.700 -0.056 0.000 0.745 163 E HN 0.282 nan 8.360 nan 0.000 0.458 164 V N 1.579 121.468 119.914 -0.042 0.000 2.295 164 V HA -0.245 3.875 4.120 0.000 0.000 0.246 164 V C 2.506 178.585 176.094 -0.024 0.000 1.049 164 V CA 1.593 63.873 62.300 -0.034 0.000 1.024 164 V CB -0.285 31.518 31.823 -0.034 0.000 0.648 164 V HN 0.216 nan 8.190 nan 0.000 0.447 165 V N -0.216 119.686 119.914 -0.021 0.000 2.343 165 V HA -0.246 3.874 4.120 0.000 0.000 0.247 165 V C 2.588 178.688 176.094 0.010 0.000 1.051 165 V CA 1.993 64.292 62.300 -0.001 0.000 1.036 165 V CB -0.810 31.016 31.823 0.006 0.000 0.654 165 V HN 0.458 nan 8.190 nan 0.000 0.451 166 R N 0.192 120.693 120.500 0.002 0.000 2.083 166 R HA -0.127 4.213 4.340 0.000 0.000 0.237 166 R C 2.510 178.808 176.300 -0.003 0.000 1.137 166 R CA 1.589 57.693 56.100 0.006 0.000 0.951 166 R CB -0.927 29.370 30.300 -0.006 0.000 0.851 166 R HN 0.594 nan 8.270 nan 0.000 0.434 167 G N 1.072 109.862 108.800 -0.016 0.000 2.442 167 G HA2 -0.164 3.796 3.960 0.000 0.000 0.219 167 G HA3 -0.164 3.796 3.960 0.000 0.000 0.219 167 G C 0.706 175.597 174.900 -0.015 0.000 1.141 167 G CA 0.763 45.850 45.100 -0.022 0.000 0.763 167 G HN 0.463 nan 8.290 nan 0.000 0.554 171 I N 1.708 122.267 120.570 -0.019 0.000 2.226 171 I HA -0.130 4.040 4.170 0.000 0.000 0.245 171 I C 2.664 178.767 176.117 -0.024 0.000 1.100 171 I CA 1.548 62.833 61.300 -0.024 0.000 1.374 171 I CB -0.197 37.789 38.000 -0.024 0.000 1.057 171 I HN 0.113 nan 8.210 nan 0.000 0.413 172 R N 1.083 121.573 120.500 -0.017 0.000 2.083 172 R HA -0.148 4.192 4.340 0.000 0.000 0.237 172 R C 2.086 178.373 176.300 -0.022 0.000 1.137 172 R CA 1.790 57.881 56.100 -0.015 0.000 0.951 172 R CB -0.803 29.490 30.300 -0.012 0.000 0.851 172 R HN 0.140 nan 8.270 nan 0.000 0.434 173 V N 1.235 121.135 119.914 -0.024 0.000 2.295 173 V HA -0.235 3.885 4.120 0.000 0.000 0.246 173 V C 2.093 178.168 176.094 -0.032 0.000 1.049 173 V CA 2.176 64.460 62.300 -0.026 0.000 1.024 173 V CB -0.889 30.921 31.823 -0.022 0.000 0.648 173 V HN 0.504 nan 8.190 nan 0.000 0.447 174 N N 0.894 119.573 118.700 -0.035 0.000 2.061 174 N HA -0.211 4.529 4.740 0.000 0.000 0.193 174 N C 1.955 177.421 175.510 -0.074 0.000 1.030 174 N CA 1.974 54.994 53.050 -0.050 0.000 0.856 174 N CB -0.263 38.194 38.487 -0.051 0.000 1.023 174 N HN 0.571 nan 8.380 nan 0.000 0.424 175 S N -0.657 115.005 115.700 -0.062 0.000 2.447 175 S HA -0.039 4.431 4.470 0.000 0.000 0.233 175 S C 1.746 176.314 174.600 -0.052 0.000 1.006 175 S CA 0.668 58.830 58.200 -0.063 0.000 0.957 175 S CB -0.355 62.825 63.200 -0.034 0.000 0.773 175 S HN 0.365 nan 8.310 nan 0.000 0.507 176 L N 1.665 122.861 121.223 -0.044 0.000 2.554 176 L HA 0.129 4.469 4.340 0.000 0.000 0.225 176 L C 2.600 179.437 176.870 -0.054 0.000 1.104 176 L CA 0.941 55.759 54.840 -0.036 0.000 0.866 176 L CB -0.483 41.564 42.059 -0.020 0.000 1.047 176 L HN 0.520 nan 8.230 nan 0.000 0.468 177 T N -3.429 111.088 114.554 -0.062 0.000 3.118 177 T HA -0.068 4.282 4.350 0.000 0.000 0.260 177 T C 1.739 176.388 174.700 -0.085 0.000 1.139 177 T CA 0.314 62.382 62.100 -0.054 0.000 1.085 177 T CB -0.161 68.689 68.868 -0.030 0.000 0.934 177 T HN 0.245 nan 8.240 nan 0.000 0.518 178 R N 0.720 121.121 120.500 -0.165 0.000 2.307 178 R HA 0.288 4.628 4.340 0.000 0.000 0.199 178 R C 1.897 177.892 176.300 -0.509 0.000 1.000 178 R CA 0.480 56.396 56.100 -0.307 0.000 1.023 178 R CB -0.302 29.760 30.300 -0.396 0.000 0.908 178 R HN 0.556 nan 8.270 nan 0.000 0.473 179 G N 0.505 109.125 108.800 -0.299 0.000 2.143 179 G HA2 -0.308 3.652 3.960 0.000 0.000 0.248 179 G HA3 -0.308 3.652 3.960 0.000 0.000 0.248 179 G C 0.165 174.983 174.900 -0.137 0.000 0.991 179 G CA 0.495 45.477 45.100 -0.195 0.000 0.689 179 G HN 0.604 nan 8.290 nan 0.000 0.522 180 H N -0.732 118.340 119.070 0.003 0.000 2.652 180 H HA 0.392 4.948 4.556 0.000 0.000 0.274 180 H C 1.992 177.325 175.328 0.007 0.000 1.021 180 H CA 0.634 56.680 56.048 -0.005 0.000 1.187 180 H CB 0.809 30.561 29.762 -0.016 0.000 1.505 180 H HN 0.368 nan 8.280 nan 0.000 0.530 181 S N -0.131 115.630 115.700 0.101 0.000 2.589 181 S HA 0.322 4.792 4.470 0.000 0.000 0.235 181 S C 1.270 175.908 174.600 0.064 0.000 1.051 181 S CA 0.275 58.521 58.200 0.077 0.000 0.978 181 S CB 1.179 64.411 63.200 0.053 0.000 0.929 181 S HN 0.475 nan 8.310 nan 0.000 0.523 182 A N 1.146 124.003 122.820 0.062 0.000 2.869 182 A HA -0.132 4.188 4.320 0.000 0.000 0.280 182 A C 0.153 177.763 177.584 0.042 0.000 1.458 182 A CA 0.467 52.543 52.037 0.064 0.000 0.776 182 A CB -2.290 16.764 19.000 0.090 0.000 1.028 182 A HN 0.374 nan 8.150 nan 0.000 0.547 183 V N 1.017 120.948 119.914 0.027 0.000 2.394 183 V HA 0.374 4.494 4.120 0.000 0.000 0.282 183 V C 1.134 177.234 176.094 0.009 0.000 1.031 183 V CA -0.586 61.723 62.300 0.014 0.000 0.881 183 V CB 1.427 33.253 31.823 0.006 0.000 0.982 183 V HN 0.604 nan 8.190 nan 0.000 0.451 184 R N 2.418 122.922 120.500 0.007 0.000 2.643 184 R HA 0.109 4.449 4.340 0.000 0.000 0.270 184 R C 1.163 177.463 176.300 -0.000 0.000 1.061 184 R CA -0.562 55.541 56.100 0.006 0.000 1.107 184 R CB 0.298 30.602 30.300 0.006 0.000 0.999 184 R HN 0.615 nan 8.270 nan 0.000 0.460 185 L N 3.912 125.137 121.223 0.002 0.000 2.081 185 L HA -0.182 4.158 4.340 0.000 0.000 0.212 185 L C 2.003 178.872 176.870 -0.001 0.000 1.080 185 L CA 1.652 56.492 54.840 0.000 0.000 0.754 185 L CB -0.475 41.586 42.059 0.004 0.000 0.893 185 L HN 0.609 nan 8.230 nan 0.000 0.433 186 V N -1.342 118.572 119.914 0.001 0.000 2.568 186 V HA -0.227 3.893 4.120 0.000 0.000 0.253 186 V C 2.342 178.430 176.094 -0.011 0.000 1.072 186 V CA 1.848 64.149 62.300 0.002 0.000 1.084 186 V CB -0.074 31.753 31.823 0.006 0.000 0.676 186 V HN 0.348 nan 8.190 nan 0.000 0.469 187 V N -0.059 119.844 119.914 -0.018 0.000 2.379 187 V HA -0.174 3.946 4.120 0.000 0.000 0.245 187 V C 2.346 178.411 176.094 -0.049 0.000 1.044 187 V CA 2.045 64.322 62.300 -0.038 0.000 1.036 187 V CB -0.436 31.368 31.823 -0.031 0.000 0.664 187 V HN 0.497 nan 8.190 nan 0.000 0.453 188 L N -0.209 120.995 121.223 -0.032 0.000 2.083 188 L HA -0.189 4.151 4.340 0.000 0.000 0.209 188 L C 2.506 179.359 176.870 -0.029 0.000 1.083 188 L CA 1.711 56.532 54.840 -0.032 0.000 0.752 188 L CB -0.712 41.335 42.059 -0.020 0.000 0.899 188 L HN 0.397 nan 8.230 nan 0.000 0.433 189 E N 0.317 120.507 120.200 -0.015 0.000 2.204 189 E HA -0.152 4.198 4.350 0.000 0.000 0.194 189 E C 2.311 178.912 176.600 0.002 0.000 0.989 189 E CA 0.885 57.286 56.400 0.002 0.000 0.824 189 E CB -0.104 29.605 29.700 0.015 0.000 0.756 189 E HN 0.488 nan 8.360 nan 0.000 0.477 190 A N 1.191 123.989 122.820 -0.036 0.000 1.933 190 A HA -0.164 4.156 4.320 0.000 0.000 0.218 190 A C 2.152 179.626 177.584 -0.183 0.000 1.175 190 A CA 1.049 53.032 52.037 -0.089 0.000 0.628 190 A CB -0.510 18.400 19.000 -0.150 0.000 0.814 190 A HN 0.131 nan 8.150 nan 0.000 0.444 191 L N -0.273 120.851 121.223 -0.164 0.000 2.027 191 L HA -0.145 4.195 4.340 0.000 0.000 0.206 191 L C 3.051 179.921 176.870 -0.000 0.000 1.074 191 L CA 1.806 56.565 54.840 -0.135 0.000 0.745 191 L CB -0.976 41.026 42.059 -0.095 0.000 0.898 191 L HN 0.633 nan 8.230 nan 0.000 0.433 192 T N -3.333 111.225 114.554 0.006 0.000 2.788 192 T HA -0.134 4.216 4.350 0.000 0.000 0.268 192 T C 1.750 176.483 174.700 0.055 0.000 1.044 192 T CA 1.272 63.386 62.100 0.023 0.000 1.139 192 T CB -0.402 68.470 68.868 0.006 0.000 0.867 192 T HN 0.186 nan 8.240 nan 0.000 0.454 193 N N 0.873 119.636 118.700 0.105 0.000 2.120 193 N HA 0.014 4.754 4.740 0.000 0.000 0.188 193 N C 1.442 177.144 175.510 0.321 0.000 1.024 193 N CA 0.891 54.063 53.050 0.204 0.000 0.852 193 N CB -0.618 38.032 38.487 0.273 0.000 1.003 193 N HN 0.335 nan 8.380 nan 0.000 0.424 194 F N 1.399 121.373 119.950 0.040 0.000 2.134 194 F HA -0.011 4.516 4.527 0.000 0.000 0.299 194 F C 2.264 178.047 175.800 -0.028 0.000 1.097 194 F CA 0.432 58.438 58.000 0.010 0.000 1.264 194 F CB -0.897 38.112 39.000 0.014 0.000 1.001 194 F HN -0.016 nan 8.300 nan 0.000 0.479 195 L N -0.299 121.021 121.223 0.163 0.000 2.012 195 L HA -0.274 4.066 4.340 0.000 0.000 0.210 195 L C 2.076 178.928 176.870 -0.029 0.000 1.073 195 L CA 1.425 56.295 54.840 0.050 0.000 0.748 195 L CB -0.644 41.433 42.059 0.031 0.000 0.891 195 L HN 0.098 nan 8.230 nan 0.000 0.431 196 N N -1.513 117.139 118.700 -0.080 0.000 2.457 196 N HA -0.100 4.640 4.740 0.000 0.000 0.180 196 N C 1.389 176.673 175.510 -0.376 0.000 1.050 196 N CA 0.826 53.750 53.050 -0.211 0.000 0.906 196 N CB -0.110 38.230 38.487 -0.245 0.000 0.968 196 N HN 0.405 nan 8.380 nan 0.000 0.445 197 H N -0.621 118.350 119.070 -0.164 0.000 2.549 197 H HA 0.236 4.792 4.556 0.000 0.000 0.279 197 H C 0.865 175.921 175.328 -0.453 0.000 1.018 197 H CA 0.388 56.196 56.048 -0.400 0.000 1.175 197 H CB 0.270 29.603 29.762 -0.716 0.000 1.485 197 H HN 0.159 nan 8.280 nan 0.000 0.543 198 G N 1.910 110.620 108.800 -0.150 0.000 2.249 198 G HA2 -0.281 3.679 3.960 0.000 0.000 0.273 198 G HA3 -0.281 3.679 3.960 0.000 0.000 0.273 198 G C 0.174 175.006 174.900 -0.114 0.000 1.036 198 G CA 0.105 45.154 45.100 -0.085 0.000 0.824 198 G HN 0.388 nan 8.290 nan 0.000 0.504 199 I N 1.447 121.885 120.570 -0.219 0.000 2.301 199 I HA 0.301 4.471 4.170 0.000 0.000 0.292 199 I C 0.229 176.276 176.117 -0.116 0.000 1.046 199 I CA -0.045 61.069 61.300 -0.310 0.000 1.282 199 I CB 1.151 38.663 38.000 -0.815 0.000 1.409 199 I HN 0.022 nan 8.210 nan 0.000 0.484 200 T N 7.283 121.846 114.554 0.014 0.000 2.833 200 T HA 0.325 4.675 4.350 0.000 0.000 0.297 200 T C -2.457 172.309 174.700 0.109 0.000 1.015 200 T CA -1.519 60.633 62.100 0.087 0.000 0.963 200 T CB 1.440 70.341 68.868 0.055 0.000 0.955 200 T HN 0.223 nan 8.240 nan 0.000 0.449 201 P HA 0.087 nan 4.420 nan 0.000 0.265 201 P C -0.325 177.028 177.300 0.087 0.000 1.187 201 P CA -0.397 62.796 63.100 0.154 0.000 0.766 201 P CB 0.358 32.178 31.700 0.199 0.000 0.820 202 I N 4.150 124.766 120.570 0.075 0.000 2.337 202 I HA 0.138 4.308 4.170 0.000 0.000 0.291 202 I C 0.117 176.196 176.117 -0.063 0.000 1.046 202 I CA -0.041 61.266 61.300 0.012 0.000 1.324 202 I CB 0.265 38.275 38.000 0.017 0.000 1.409 202 I HN 0.045 nan 8.210 nan 0.000 0.494 203 V N 9.088 128.909 119.914 -0.155 0.000 2.588 203 V HA 0.371 4.491 4.120 0.000 0.000 0.304 203 V C -2.296 173.570 176.094 -0.381 0.000 1.042 203 V CA -1.947 60.146 62.300 -0.345 0.000 0.877 203 V CB 2.217 33.943 31.823 -0.161 0.000 0.996 203 V HN 0.542 nan 8.190 nan 0.000 0.425 204 P HA 0.060 nan 4.420 nan 0.000 0.267 204 P C 0.641 177.817 177.300 -0.207 0.000 1.200 204 P CA -0.106 62.788 63.100 -0.344 0.000 0.772 204 P CB 0.713 32.196 31.700 -0.361 0.000 0.855 205 L N 3.132 124.272 121.223 -0.139 0.000 2.046 205 L HA -0.056 4.284 4.340 0.000 0.000 0.208 205 L C 0.808 177.635 176.870 -0.072 0.000 1.077 205 L CA 1.891 56.675 54.840 -0.093 0.000 0.747 205 L CB -0.267 41.747 42.059 -0.076 0.000 0.896 205 L HN 0.306 nan 8.230 nan 0.000 0.432 206 R N -2.273 118.185 120.500 -0.070 0.000 2.854 206 R HA 0.589 4.930 4.340 0.000 0.000 0.271 206 R C 0.300 176.579 176.300 -0.036 0.000 0.996 206 R CA -0.014 56.060 56.100 -0.044 0.000 0.961 206 R CB 1.420 31.700 30.300 -0.035 0.000 1.182 206 R HN 0.115 nan 8.270 nan 0.000 0.479 207 G N 0.164 108.955 108.800 -0.015 0.000 2.813 207 G HA2 -0.205 3.755 3.960 0.000 0.000 0.194 207 G HA3 -0.205 3.755 3.960 0.000 0.000 0.194 207 G C 0.048 174.954 174.900 0.011 0.000 1.010 207 G CA -0.140 44.962 45.100 0.003 0.000 0.771 207 G HN 0.575 nan 8.290 nan 0.000 0.485 208 T N 1.099 115.657 114.554 0.006 0.000 2.909 208 T HA 0.582 4.932 4.350 0.000 0.000 0.286 208 T C 1.740 176.450 174.700 0.016 0.000 1.002 208 T CA -0.048 62.060 62.100 0.013 0.000 1.074 208 T CB 0.807 69.683 68.868 0.012 0.000 0.984 208 T HN 0.776 nan 8.240 nan 0.000 0.495 209 I N 0.934 121.517 120.570 0.022 0.000 3.956 209 I HA 0.328 4.498 4.170 0.000 0.000 0.333 209 I C 0.573 176.713 176.117 0.039 0.000 1.302 209 I CA -0.460 60.858 61.300 0.030 0.000 1.122 209 I CB -0.022 37.998 38.000 0.033 0.000 1.013 209 I HN 0.603 nan 8.210 nan 0.000 0.405 210 S N 1.138 116.862 115.700 0.039 0.000 3.749 210 S HA -0.128 4.342 4.470 0.000 0.000 0.348 210 S C 0.387 175.041 174.600 0.089 0.000 1.045 210 S CA 0.655 58.887 58.200 0.053 0.000 1.051 210 S CB -1.809 61.416 63.200 0.042 0.000 0.898 210 S HN 0.937 nan 8.310 nan 0.000 0.472 211 A N 1.234 124.112 122.820 0.097 0.000 3.426 211 A HA 0.928 5.248 4.320 0.000 0.000 0.185 211 A C 1.662 179.306 177.584 0.100 0.000 1.057 211 A CA 0.563 52.712 52.037 0.187 0.000 1.261 211 A CB -1.052 18.050 19.000 0.169 0.000 1.676 211 A HN 1.469 nan 8.150 nan 0.000 0.658 212 S N -0.947 114.609 115.700 -0.239 0.000 2.532 212 S HA 0.252 4.722 4.470 0.000 0.000 0.297 212 S C 2.120 176.599 174.600 -0.202 0.000 0.956 212 S CA 1.992 59.668 58.200 -0.873 0.000 0.965 212 S CB -1.639 61.033 63.200 -0.879 0.000 0.717 212 S HN 2.636 nan 8.310 nan 0.000 0.526 213 G N 0.130 108.976 108.800 0.078 0.000 2.512 213 G HA2 -0.169 3.791 3.960 0.000 0.000 0.240 213 G HA3 -0.169 3.791 3.960 0.000 0.000 0.240 213 G C -0.499 174.428 174.900 0.046 0.000 1.246 213 G CA -0.023 45.151 45.100 0.124 0.000 0.919 213 G HN 0.431 nan 8.290 nan 0.000 0.577 214 D N 1.771 122.196 120.400 0.042 0.000 2.934 214 D HA 0.273 4.913 4.640 0.000 0.000 0.237 214 D C 2.132 178.440 176.300 0.013 0.000 1.158 214 D CA 0.013 54.028 54.000 0.025 0.000 0.971 214 D CB -0.073 40.742 40.800 0.025 0.000 1.123 214 D HN 0.401 nan 8.370 nan 0.000 0.467 215 L N -0.089 121.131 121.223 -0.006 0.000 1.971 215 L HA -0.245 4.095 4.340 0.000 0.000 0.215 215 L C 2.515 179.375 176.870 -0.015 0.000 1.072 215 L CA 1.176 55.998 54.840 -0.030 0.000 0.758 215 L CB -0.499 41.527 42.059 -0.055 0.000 0.889 215 L HN 0.158 nan 8.230 nan 0.000 0.433 216 S N -0.244 115.463 115.700 0.011 0.000 2.343 216 S HA -0.071 4.399 4.470 0.000 0.000 0.219 216 S C -0.368 174.341 174.600 0.181 0.000 1.033 216 S CA 1.695 59.939 58.200 0.073 0.000 1.014 216 S CB -1.009 62.246 63.200 0.092 0.000 0.915 216 S HN 0.213 nan 8.310 nan 0.000 0.435 217 P HA -0.039 nan 4.420 nan 0.000 0.218 217 P C 1.508 178.884 177.300 0.126 0.000 1.149 217 P CA 0.952 64.122 63.100 0.116 0.000 0.817 217 P CB -0.240 31.471 31.700 0.020 0.000 0.785 218 L N -0.549 120.714 121.223 0.067 0.000 2.131 218 L HA -0.115 4.225 4.340 0.000 0.000 0.210 218 L C 2.565 179.450 176.870 0.025 0.000 1.092 218 L CA 1.346 56.210 54.840 0.039 0.000 0.759 218 L CB -0.944 41.124 42.059 0.015 0.000 0.903 218 L HN -0.013 nan 8.230 nan 0.000 0.435 219 S N -1.303 114.401 115.700 0.006 0.000 2.402 219 S HA -0.153 4.318 4.470 0.000 0.000 0.229 219 S C 1.832 176.355 174.600 -0.129 0.000 1.021 219 S CA 0.947 59.095 58.200 -0.087 0.000 0.974 219 S CB -0.283 62.813 63.200 -0.174 0.000 0.800 219 S HN 0.331 nan 8.310 nan 0.000 0.484 220 Y N 1.637 121.902 120.300 -0.058 0.000 2.181 220 Y HA -0.066 4.484 4.550 0.000 0.000 0.288 220 Y C 2.082 177.976 175.900 -0.009 0.000 1.146 220 Y CA 0.839 58.913 58.100 -0.043 0.000 1.164 220 Y CB -0.492 37.947 38.460 -0.034 0.000 0.982 220 Y HN 0.210 nan 8.280 nan 0.000 0.515 221 I N -0.682 119.966 120.570 0.130 0.000 2.179 221 I HA -0.335 3.835 4.170 0.000 0.000 0.242 221 I C 2.591 178.711 176.117 0.005 0.000 1.088 221 I CA 1.215 62.560 61.300 0.076 0.000 1.357 221 I CB -0.658 37.371 38.000 0.049 0.000 1.051 221 I HN 0.182 nan 8.210 nan 0.000 0.409 222 A N 0.702 123.510 122.820 -0.019 0.000 1.908 222 A HA -0.186 4.134 4.320 0.000 0.000 0.218 222 A C 2.511 180.077 177.584 -0.030 0.000 1.181 222 A CA 1.949 53.959 52.037 -0.044 0.000 0.627 222 A CB -0.849 18.125 19.000 -0.044 0.000 0.818 222 A HN 0.449 nan 8.150 nan 0.000 0.445 223 A N -0.362 122.437 122.820 -0.035 0.000 1.969 223 A HA 0.226 4.546 4.320 0.000 0.000 0.218 223 A C 2.455 180.087 177.584 0.081 0.000 1.169 223 A CA 1.869 53.905 52.037 -0.002 0.000 0.635 223 A CB -0.845 18.059 19.000 -0.159 0.000 0.810 223 A HN 0.975 nan 8.150 nan 0.000 0.445 224 A N 0.844 123.722 122.820 0.097 0.000 1.873 224 A HA -0.067 4.253 4.320 0.000 0.000 0.215 224 A C 2.096 179.797 177.584 0.196 0.000 1.186 224 A CA 1.471 53.639 52.037 0.219 0.000 0.616 224 A CB -0.793 18.412 19.000 0.341 0.000 0.823 224 A HN 0.959 nan 8.150 nan 0.000 0.442 225 I N -1.467 119.062 120.570 -0.068 0.000 2.830 225 I HA -0.067 4.103 4.170 0.000 0.000 0.263 225 I C 1.820 177.908 176.117 -0.049 0.000 1.230 225 I CA 1.624 62.769 61.300 -0.259 0.000 1.480 225 I CB -0.244 37.459 38.000 -0.494 0.000 1.095 225 I HN 0.289 nan 8.210 nan 0.000 0.455 226 S N 0.678 116.383 115.700 0.009 0.000 2.575 226 S HA 0.344 4.814 4.470 0.000 0.000 0.215 226 S C 1.560 176.205 174.600 0.074 0.000 0.966 226 S CA 0.149 58.369 58.200 0.034 0.000 0.911 226 S CB -0.274 62.940 63.200 0.022 0.000 0.780 226 S HN 0.825 nan 8.310 nan 0.000 0.514 227 G N 2.205 111.079 108.800 0.123 0.000 2.295 227 G HA2 -0.288 3.672 3.960 0.000 0.000 0.287 227 G HA3 -0.288 3.672 3.960 0.000 0.000 0.287 227 G C -0.069 174.908 174.900 0.129 0.000 1.055 227 G CA 0.240 45.421 45.100 0.136 0.000 0.922 227 G HN 0.813 nan 8.290 nan 0.000 0.503 228 H N 0.786 119.886 119.070 0.050 0.000 3.001 228 H HA 0.125 4.681 4.556 0.000 0.000 0.334 228 H C -0.959 174.398 175.328 0.049 0.000 1.034 228 H CA -0.411 55.654 56.048 0.028 0.000 1.420 228 H CB 1.164 30.931 29.762 0.007 0.000 1.405 228 H HN 0.133 nan 8.280 nan 0.000 0.593 229 P HA -0.063 nan 4.420 nan 0.000 0.228 229 P C 0.457 177.867 177.300 0.182 0.000 1.151 229 P CA 1.156 64.266 63.100 0.017 0.000 0.770 229 P CB 0.363 31.984 31.700 -0.131 0.000 0.786 230 D N -1.474 119.244 120.400 0.531 0.000 2.501 230 D HA 0.068 4.708 4.640 0.000 0.000 0.224 230 D C -0.272 176.215 176.300 0.311 0.000 1.202 230 D CA -0.127 54.126 54.000 0.421 0.000 0.829 230 D CB -0.149 40.837 40.800 0.310 0.000 1.023 230 D HN -0.158 nan 8.370 nan 0.000 0.499 231 S N 0.249 116.141 115.700 0.321 0.000 2.513 231 S HA 0.466 4.936 4.470 0.000 0.000 0.276 231 S C -0.150 174.574 174.600 0.206 0.000 1.254 231 S CA -0.458 57.862 58.200 0.200 0.000 1.053 231 S CB 0.556 63.870 63.200 0.190 0.000 0.958 231 S HN -0.047 nan 8.310 nan 0.000 0.491 232 K N 2.340 122.800 120.400 0.099 0.000 2.203 232 K HA 0.702 5.022 4.320 0.000 0.000 0.251 232 K C -0.738 175.893 176.600 0.053 0.000 0.944 232 K CA -0.688 55.590 56.287 -0.014 0.000 0.829 232 K CB 1.892 34.315 32.500 -0.128 0.000 1.125 232 K HN 0.528 nan 8.250 nan 0.000 0.430 233 V N -1.633 118.299 119.914 0.031 0.000 3.007 233 V HA 0.532 4.652 4.120 0.000 0.000 0.311 233 V C -0.961 175.175 176.094 0.070 0.000 1.120 233 V CA -0.857 61.477 62.300 0.057 0.000 0.980 233 V CB 1.859 33.684 31.823 0.003 0.000 1.033 233 V HN 0.864 nan 8.190 nan 0.000 0.429 234 H N 1.862 120.932 119.070 -0.000 0.000 2.473 234 H HA 0.847 5.403 4.556 0.000 0.000 0.327 234 H C -1.376 173.952 175.328 -0.000 0.000 1.105 234 H CA -0.096 55.965 56.048 0.022 0.000 1.280 234 H CB 1.929 31.713 29.762 0.037 0.000 1.450 234 H HN 0.791 nan 8.280 nan 0.000 0.492 235 V N 5.176 124.871 119.914 -0.364 0.000 3.147 235 V HA 0.331 4.451 4.120 0.000 0.000 0.306 235 V C -1.335 174.622 176.094 -0.229 0.000 1.209 235 V CA -0.675 61.533 62.300 -0.153 0.000 1.023 235 V CB 2.549 34.384 31.823 0.019 0.000 1.059 235 V HN 0.559 nan 8.190 nan 0.000 0.435 236 V N 5.248 125.164 119.914 0.004 0.000 2.398 236 V HA 0.614 4.734 4.120 0.000 0.000 0.286 236 V C -0.458 175.766 176.094 0.217 0.000 1.026 236 V CA -0.289 62.048 62.300 0.061 0.000 0.868 236 V CB 1.200 33.075 31.823 0.086 0.000 0.982 236 V HN 0.942 nan 8.190 nan 0.000 0.443 237 H N 4.164 123.259 119.070 0.040 0.000 2.954 237 H HA 0.276 4.832 4.556 0.000 0.000 0.361 237 H C -0.125 175.198 175.328 -0.008 0.000 1.122 237 H CA -0.364 55.708 56.048 0.041 0.000 1.217 237 H CB 1.743 31.512 29.762 0.012 0.000 1.776 237 H HN 0.849 nan 8.280 nan 0.000 0.533 238 E N 2.832 122.745 120.200 -0.480 0.000 2.360 238 E HA -0.238 4.112 4.350 0.000 0.000 0.238 238 E C 0.795 177.317 176.600 -0.130 0.000 1.186 238 E CA 0.822 57.028 56.400 -0.324 0.000 0.719 238 E CB -1.451 28.055 29.700 -0.322 0.000 1.236 238 E HN 1.081 nan 8.360 nan 0.000 0.386 239 G N 0.467 109.222 108.800 -0.075 0.000 2.155 239 G HA2 -0.392 3.568 3.960 0.000 0.000 0.257 239 G HA3 -0.392 3.568 3.960 0.000 0.000 0.257 239 G C 0.112 175.005 174.900 -0.012 0.000 0.983 239 G CA 1.175 46.257 45.100 -0.029 0.000 0.676 239 G HN 0.530 nan 8.290 nan 0.000 0.528 240 K N -0.419 119.976 120.400 -0.008 0.000 2.512 240 K HA 0.613 4.933 4.320 0.000 0.000 0.263 240 K C -0.715 175.878 176.600 -0.010 0.000 0.966 240 K CA -1.077 55.207 56.287 -0.004 0.000 0.851 240 K CB 1.816 34.303 32.500 -0.021 0.000 1.395 240 K HN 0.117 nan 8.250 nan 0.000 0.440 241 E N 1.794 121.984 120.200 -0.016 0.000 2.344 241 E HA 0.107 4.457 4.350 0.000 0.000 0.270 241 E C -0.892 175.639 176.600 -0.116 0.000 1.021 241 E CA 0.157 56.503 56.400 -0.089 0.000 0.887 241 E CB 0.918 30.652 29.700 0.057 0.000 0.997 241 E HN 0.302 nan 8.360 nan 0.000 0.429 242 K N 2.576 122.859 120.400 -0.196 0.000 2.435 242 K HA 0.544 4.864 4.320 0.000 0.000 0.251 242 K C -0.674 175.886 176.600 -0.068 0.000 0.954 242 K CA -0.714 55.519 56.287 -0.091 0.000 0.820 242 K CB 1.930 34.400 32.500 -0.049 0.000 1.292 242 K HN 0.343 nan 8.250 nan 0.000 0.436 243 I N 3.573 124.207 120.570 0.107 0.000 2.389 243 I HA 0.390 4.560 4.170 0.000 0.000 0.288 243 I C -0.775 175.359 176.117 0.028 0.000 0.999 243 I CA -0.689 60.670 61.300 0.099 0.000 1.129 243 I CB 0.913 39.008 38.000 0.158 0.000 1.288 243 I HN 0.298 nan 8.210 nan 0.000 0.444 244 L N 5.150 126.346 121.223 -0.044 0.000 2.327 244 L HA 0.520 4.860 4.340 0.000 0.000 0.258 244 L C -0.914 175.887 176.870 -0.114 0.000 1.024 244 L CA -1.063 53.739 54.840 -0.064 0.000 0.825 244 L CB 1.639 43.692 42.059 -0.010 0.000 1.386 244 L HN 0.293 nan 8.230 nan 0.000 0.417 245 Y N 0.113 120.434 120.300 0.034 0.000 2.457 245 Y HA 0.054 4.604 4.550 0.000 0.000 0.341 245 Y C 1.292 177.222 175.900 0.050 0.000 1.240 245 Y CA 0.784 58.913 58.100 0.048 0.000 1.437 245 Y CB 0.855 39.342 38.460 0.045 0.000 1.328 245 Y HN 0.703 nan 8.280 nan 0.000 0.588 246 A N 3.260 126.229 122.820 0.248 0.000 1.883 246 A HA -0.222 4.098 4.320 0.000 0.000 0.217 246 A C 2.228 179.910 177.584 0.164 0.000 1.186 246 A CA 1.897 54.049 52.037 0.192 0.000 0.624 246 A CB -0.468 18.684 19.000 0.254 0.000 0.822 246 A HN 0.922 nan 8.150 nan 0.000 0.444 247 R N -0.564 120.035 120.500 0.164 0.000 2.096 247 R HA -0.127 4.213 4.340 0.000 0.000 0.235 247 R C 2.147 178.494 176.300 0.078 0.000 1.127 247 R CA 1.536 57.701 56.100 0.109 0.000 0.968 247 R CB -0.290 30.055 30.300 0.074 0.000 0.861 247 R HN 0.703 nan 8.270 nan 0.000 0.440 248 E N 0.693 120.948 120.200 0.092 0.000 2.051 248 E HA -0.106 4.244 4.350 0.000 0.000 0.192 248 E C 0.862 177.458 176.600 -0.007 0.000 0.991 248 E CA 0.944 57.370 56.400 0.043 0.000 0.799 248 E CB -0.071 29.677 29.700 0.080 0.000 0.748 248 E HN 0.322 nan 8.360 nan 0.000 0.449 252 L N -0.675 120.421 121.223 -0.213 0.000 2.275 252 L HA 0.028 4.368 4.340 0.000 0.000 0.215 252 L C 1.389 177.819 176.870 -0.734 0.000 1.119 252 L CA 1.391 55.929 54.840 -0.503 0.000 0.790 252 L CB -0.293 41.278 42.059 -0.813 0.000 0.919 252 L HN 0.485 nan 8.230 nan 0.000 0.443 253 F N -1.559 118.287 119.950 -0.174 0.000 2.683 253 F HA 0.226 4.753 4.527 0.000 0.000 0.306 253 F C 0.845 176.510 175.800 -0.223 0.000 1.102 253 F CA -0.546 57.292 58.000 -0.269 0.000 1.244 253 F CB -0.128 38.564 39.000 -0.514 0.000 1.029 253 F HN -0.010 nan 8.300 nan 0.000 0.545 254 N N 1.813 120.504 118.700 -0.014 0.000 2.738 254 N HA -0.203 4.537 4.740 0.000 0.000 0.249 254 N C -1.083 174.454 175.510 0.046 0.000 1.047 254 N CA 0.422 53.478 53.050 0.010 0.000 0.707 254 N CB -1.255 37.237 38.487 0.009 0.000 0.937 254 N HN 0.314 nan 8.380 nan 0.000 0.545 255 L N -0.172 121.094 121.223 0.071 0.000 2.334 255 L HA 0.520 4.860 4.340 0.000 0.000 0.272 255 L C 0.627 177.560 176.870 0.105 0.000 1.020 255 L CA -0.880 54.028 54.840 0.113 0.000 0.812 255 L CB 1.447 43.614 42.059 0.180 0.000 1.264 255 L HN 0.008 nan 8.230 nan 0.000 0.439 256 E N 2.310 122.568 120.200 0.098 0.000 2.191 256 E HA 0.423 4.773 4.350 0.000 0.000 0.274 256 E C -2.289 174.360 176.600 0.082 0.000 0.948 256 E CA -1.745 54.701 56.400 0.076 0.000 0.802 256 E CB 1.552 31.284 29.700 0.053 0.000 1.137 256 E HN 0.323 nan 8.360 nan 0.000 0.397 257 P HA 0.082 nan 4.420 nan 0.000 0.275 257 P C -0.111 177.208 177.300 0.031 0.000 1.228 257 P CA -0.401 62.736 63.100 0.062 0.000 0.786 257 P CB 0.575 32.310 31.700 0.060 0.000 0.927 258 V N 0.324 120.245 119.914 0.011 0.000 2.686 258 V HA 0.393 4.513 4.120 0.000 0.000 0.295 258 V C -0.021 176.074 176.094 0.001 0.000 1.057 258 V CA -0.673 61.627 62.300 -0.001 0.000 1.012 258 V CB 1.285 33.096 31.823 -0.020 0.000 1.006 258 V HN 0.259 nan 8.190 nan 0.000 0.477 259 V N 5.375 125.290 119.914 0.001 0.000 2.370 259 V HA 0.367 4.487 4.120 0.000 0.000 0.283 259 V C 0.240 176.333 176.094 -0.002 0.000 1.023 259 V CA -0.531 61.769 62.300 -0.000 0.000 0.857 259 V CB 1.142 32.965 31.823 -0.000 0.000 0.985 259 V HN 0.789 nan 8.190 nan 0.000 0.443 260 L N 4.874 126.096 121.223 -0.002 0.000 2.410 260 L HA 0.483 4.823 4.340 0.000 0.000 0.273 260 L C 1.086 177.958 176.870 0.002 0.000 1.152 260 L CA 0.374 55.213 54.840 -0.001 0.000 0.855 260 L CB 0.418 42.476 42.059 -0.001 0.000 1.129 260 L HN 0.788 nan 8.230 nan 0.000 0.463 261 G N 3.373 112.175 108.800 0.004 0.000 2.795 261 G HA2 0.561 4.521 3.960 0.000 0.000 0.267 261 G HA3 0.561 4.521 3.960 0.000 0.000 0.267 261 G C -2.734 172.172 174.900 0.010 0.000 1.362 261 G CA -1.356 43.747 45.100 0.006 0.000 1.048 261 G HN 0.345 nan 8.290 nan 0.000 0.547 262 P HA 0.120 nan 4.420 nan 0.000 0.265 262 P C 0.168 177.482 177.300 0.023 0.000 1.193 262 P CA 0.396 63.505 63.100 0.015 0.000 0.765 262 P CB 1.049 32.755 31.700 0.011 0.000 0.823 263 K N 2.279 122.696 120.400 0.028 0.000 3.606 263 K HA -0.262 4.058 4.320 0.000 0.000 0.289 263 K C 0.913 177.530 176.600 0.028 0.000 1.221 263 K CA 2.205 58.513 56.287 0.035 0.000 1.028 263 K CB -2.191 30.336 32.500 0.045 0.000 1.299 263 K HN 0.579 nan 8.250 nan 0.000 0.454 264 E N -1.138 119.074 120.200 0.020 0.000 2.216 264 E HA 0.028 4.378 4.350 0.000 0.000 0.192 264 E C 1.884 178.487 176.600 0.006 0.000 0.988 264 E CA 0.722 57.129 56.400 0.012 0.000 0.834 264 E CB -0.151 29.552 29.700 0.005 0.000 0.772 264 E HN 0.553 nan 8.360 nan 0.000 0.479 265 G N 1.741 110.546 108.800 0.009 0.000 2.453 265 G HA2 -0.238 3.722 3.960 0.000 0.000 0.215 265 G HA3 -0.238 3.722 3.960 0.000 0.000 0.215 265 G C 1.582 176.484 174.900 0.004 0.000 1.201 265 G CA 0.407 45.509 45.100 0.003 0.000 0.784 265 G HN 0.081 nan 8.290 nan 0.000 0.545 266 L N 0.899 122.131 121.223 0.016 0.000 2.131 266 L HA 0.020 4.360 4.340 0.000 0.000 0.210 266 L C 3.152 180.037 176.870 0.026 0.000 1.092 266 L CA 0.844 55.695 54.840 0.019 0.000 0.759 266 L CB -0.645 41.435 42.059 0.034 0.000 0.903 266 L HN 0.347 nan 8.230 nan 0.000 0.435 267 G N -0.023 108.793 108.800 0.027 0.000 2.432 267 G HA2 -0.187 3.773 3.960 0.000 0.000 0.219 267 G HA3 -0.187 3.773 3.960 0.000 0.000 0.219 267 G C 1.625 176.535 174.900 0.018 0.000 1.135 267 G CA 0.491 45.609 45.100 0.029 0.000 0.767 267 G HN 0.242 nan 8.290 nan 0.000 0.550 268 L N 0.199 121.425 121.223 0.005 0.000 2.202 268 L HA 0.071 4.411 4.340 0.000 0.000 0.205 268 L C 2.840 179.707 176.870 -0.004 0.000 1.083 268 L CA 0.743 55.579 54.840 -0.006 0.000 0.790 268 L CB 0.034 42.081 42.059 -0.020 0.000 0.942 268 L HN 0.256 nan 8.230 nan 0.000 0.452 269 V N -4.342 115.567 119.914 -0.008 0.000 3.307 269 V HA 0.204 4.324 4.120 0.000 0.000 0.253 269 V C 0.674 176.760 176.094 -0.013 0.000 1.149 269 V CA 0.010 62.299 62.300 -0.018 0.000 1.112 269 V CB -0.328 31.468 31.823 -0.045 0.000 0.777 269 V HN 0.230 nan 8.190 nan 0.000 0.464 270 N N 1.923 120.623 118.700 -0.001 0.000 2.458 270 N HA 0.642 5.382 4.740 0.000 0.000 0.270 270 N C 0.224 175.786 175.510 0.085 0.000 1.102 270 N CA 1.353 54.411 53.050 0.014 0.000 0.967 270 N CB 1.095 39.607 38.487 0.041 0.000 1.078 270 N HN 0.843 nan 8.380 nan 0.000 0.471 271 G N -0.187 108.688 108.800 0.124 0.000 2.357 271 G HA2 0.032 3.992 3.960 0.000 0.000 0.289 271 G HA3 0.032 3.992 3.960 0.000 0.000 0.289 271 G C -0.197 174.761 174.900 0.097 0.000 1.302 271 G CA -0.059 45.120 45.100 0.131 0.000 0.936 271 G HN 0.472 nan 8.290 nan 0.000 0.513 272 T N -2.634 111.960 114.554 0.065 0.000 3.182 272 T HA 0.591 4.941 4.350 0.000 0.000 0.277 272 T C 1.944 176.656 174.700 0.021 0.000 1.013 272 T CA 1.245 63.372 62.100 0.045 0.000 0.900 272 T CB 0.770 69.659 68.868 0.036 0.000 1.098 272 T HN 1.806 nan 8.240 nan 0.000 0.543 273 A N 1.228 124.058 122.820 0.016 0.000 1.972 273 A HA 0.116 4.436 4.320 0.000 0.000 0.219 273 A C 2.263 179.847 177.584 0.000 0.000 1.169 273 A CA 1.506 53.545 52.037 0.003 0.000 0.635 273 A CB -0.806 18.195 19.000 0.002 0.000 0.810 273 A HN 0.448 nan 8.150 nan 0.000 0.446 274 V N 0.588 120.505 119.914 0.006 0.000 2.346 274 V HA -0.189 3.931 4.120 0.000 0.000 0.244 274 V C 2.982 179.074 176.094 -0.004 0.000 1.037 274 V CA 2.178 64.478 62.300 0.001 0.000 1.029 274 V CB -0.891 30.935 31.823 0.004 0.000 0.663 274 V HN 0.787 nan 8.190 nan 0.000 0.454 275 S N 1.542 117.243 115.700 0.002 0.000 2.368 275 S HA -0.152 4.318 4.470 0.000 0.000 0.225 275 S C 2.103 176.699 174.600 -0.007 0.000 1.030 275 S CA 1.400 59.600 58.200 0.000 0.000 0.999 275 S CB -0.628 62.578 63.200 0.009 0.000 0.844 275 S HN 0.555 nan 8.310 nan 0.000 0.459 276 A N 1.505 124.321 122.820 -0.008 0.000 1.969 276 A HA 0.134 4.454 4.320 0.000 0.000 0.218 276 A C 1.718 179.288 177.584 -0.024 0.000 1.169 276 A CA 1.183 53.210 52.037 -0.018 0.000 0.635 276 A CB -1.006 17.982 19.000 -0.020 0.000 0.810 276 A HN 0.600 nan 8.150 nan 0.000 0.445 280 T N 1.402 115.939 114.554 -0.028 0.000 2.746 280 T HA -0.069 4.281 4.350 0.000 0.000 0.267 280 T C 1.860 176.565 174.700 0.009 0.000 1.039 280 T CA 1.789 63.873 62.100 -0.026 0.000 1.142 280 T CB -0.416 68.429 68.868 -0.039 0.000 0.866 280 T HN 0.347 nan 8.240 nan 0.000 0.444 281 L N 0.751 121.967 121.223 -0.012 0.000 2.046 281 L HA -0.087 4.253 4.340 0.000 0.000 0.208 281 L C 3.042 179.935 176.870 0.038 0.000 1.077 281 L CA 1.301 56.131 54.840 -0.016 0.000 0.747 281 L CB -0.679 41.352 42.059 -0.047 0.000 0.896 281 L HN 0.228 nan 8.230 nan 0.000 0.432 282 A N -0.138 122.691 122.820 0.015 0.000 1.902 282 A HA -0.212 4.108 4.320 0.000 0.000 0.217 282 A C 2.213 179.799 177.584 0.003 0.000 1.181 282 A CA 1.686 53.730 52.037 0.012 0.000 0.623 282 A CB -0.674 18.323 19.000 -0.005 0.000 0.818 282 A HN 0.315 nan 8.150 nan 0.000 0.443 283 L N -0.619 120.594 121.223 -0.017 0.000 2.027 283 L HA -0.174 4.166 4.340 0.000 0.000 0.206 283 L C 2.437 179.259 176.870 -0.080 0.000 1.074 283 L CA 2.655 57.431 54.840 -0.105 0.000 0.745 283 L CB -0.845 41.151 42.059 -0.104 0.000 0.898 283 L HN 0.656 nan 8.230 nan 0.000 0.433 284 H N -0.284 118.790 119.070 0.007 0.000 2.289 284 H HA -0.212 4.344 4.556 0.000 0.000 0.294 284 H C 1.564 176.937 175.328 0.076 0.000 1.095 284 H CA 2.379 58.497 56.048 0.117 0.000 1.256 284 H CB -0.094 29.716 29.762 0.080 0.000 1.359 284 H HN 0.407 nan 8.280 nan 0.000 0.487 285 D N 0.417 120.941 120.400 0.206 0.000 2.144 285 D HA -0.036 4.604 4.640 0.000 0.000 0.200 285 D C 2.320 178.630 176.300 0.018 0.000 0.978 285 D CA 1.213 55.283 54.000 0.116 0.000 0.833 285 D CB -0.532 40.336 40.800 0.113 0.000 0.961 285 D HN 0.508 nan 8.370 nan 0.000 0.470 286 A N 1.146 123.954 122.820 -0.021 0.000 1.930 286 A HA -0.134 4.186 4.320 0.000 0.000 0.217 286 A C 1.212 178.777 177.584 -0.032 0.000 1.175 286 A CA 0.914 52.922 52.037 -0.048 0.000 0.627 286 A CB -0.559 18.385 19.000 -0.093 0.000 0.815 286 A HN 0.227 nan 8.150 nan 0.000 0.443 290 S N 0.914 116.643 115.700 0.049 0.000 2.353 290 S HA -0.097 4.373 4.470 0.000 0.000 0.222 290 S C 1.867 176.491 174.600 0.038 0.000 1.035 290 S CA 1.750 59.985 58.200 0.058 0.000 1.025 290 S CB -0.151 63.094 63.200 0.076 0.000 0.902 290 S HN 0.318 nan 8.310 nan 0.000 0.440 291 L N 0.756 121.990 121.223 0.019 0.000 2.083 291 L HA -0.062 4.278 4.340 0.000 0.000 0.209 291 L C 2.532 179.393 176.870 -0.014 0.000 1.083 291 L CA 0.897 55.732 54.840 -0.008 0.000 0.752 291 L CB -0.582 41.459 42.059 -0.030 0.000 0.899 291 L HN 0.368 nan 8.230 nan 0.000 0.433 292 L N -0.595 120.624 121.223 -0.006 0.000 2.093 292 L HA -0.178 4.162 4.340 0.000 0.000 0.208 292 L C 2.719 179.585 176.870 -0.006 0.000 1.085 292 L CA 1.843 56.678 54.840 -0.009 0.000 0.755 292 L CB -0.635 41.427 42.059 0.005 0.000 0.904 292 L HN 0.146 nan 8.230 nan 0.000 0.435 293 S N -0.978 114.737 115.700 0.025 0.000 2.374 293 S HA -0.288 4.182 4.470 0.000 0.000 0.227 293 S C 1.952 176.565 174.600 0.022 0.000 1.037 293 S CA 1.837 60.065 58.200 0.048 0.000 1.024 293 S CB -0.235 63.022 63.200 0.095 0.000 0.861 293 S HN 0.710 nan 8.310 nan 0.000 0.456 294 Q N 0.274 120.079 119.800 0.008 0.000 2.084 294 Q HA -0.056 4.284 4.340 0.000 0.000 0.202 294 Q C 2.558 178.519 176.000 -0.065 0.000 0.978 294 Q CA 1.796 57.583 55.803 -0.026 0.000 0.844 294 Q CB -0.323 28.394 28.738 -0.034 0.000 0.898 294 Q HN 0.522 nan 8.270 nan 0.000 0.426 295 S N 1.082 116.747 115.700 -0.058 0.000 2.370 295 S HA -0.117 4.353 4.470 0.000 0.000 0.226 295 S C 1.958 176.508 174.600 -0.084 0.000 1.033 295 S CA 0.981 59.142 58.200 -0.065 0.000 1.011 295 S CB -0.228 62.944 63.200 -0.048 0.000 0.852 295 S HN 0.260 nan 8.310 nan 0.000 0.457 296 L N 0.952 122.104 121.223 -0.118 0.000 2.093 296 L HA -0.111 4.229 4.340 0.000 0.000 0.208 296 L C 2.671 179.456 176.870 -0.141 0.000 1.085 296 L CA 1.103 55.796 54.840 -0.244 0.000 0.755 296 L CB -1.061 40.724 42.059 -0.456 0.000 0.904 296 L HN 0.311 nan 8.230 nan 0.000 0.435 297 T N 0.080 114.605 114.554 -0.047 0.000 2.652 297 T HA -0.102 4.248 4.350 0.000 0.000 0.267 297 T C 1.176 175.861 174.700 -0.026 0.000 1.039 297 T CA 0.925 63.034 62.100 0.015 0.000 1.153 297 T CB -0.264 68.621 68.868 0.029 0.000 0.863 297 T HN 0.423 nan 8.240 nan 0.000 0.428 301 V N 2.421 122.365 119.914 0.050 0.000 2.332 301 V HA -0.210 3.910 4.120 0.000 0.000 0.248 301 V C 2.417 178.524 176.094 0.022 0.000 1.055 301 V CA 2.355 64.699 62.300 0.074 0.000 1.038 301 V CB -0.563 31.350 31.823 0.150 0.000 0.651 301 V HN 0.544 nan 8.190 nan 0.000 0.450 302 E N 0.369 120.570 120.200 0.003 0.000 2.051 302 E HA -0.056 4.294 4.350 0.000 0.000 0.192 302 E C 1.437 177.866 176.600 -0.285 0.000 0.991 302 E CA 0.920 57.304 56.400 -0.027 0.000 0.799 302 E CB -0.250 29.474 29.700 0.040 0.000 0.748 302 E HN 0.653 nan 8.360 nan 0.000 0.449 306 G N -0.071 108.692 108.800 -0.063 0.000 2.510 306 G HA2 0.574 4.534 3.960 0.000 0.000 0.280 306 G HA3 0.574 4.534 3.960 0.000 0.000 0.280 306 G C -0.656 174.152 174.900 -0.154 0.000 1.386 306 G CA -0.672 44.361 45.100 -0.111 0.000 1.047 306 G HN 0.576 nan 8.290 nan 0.000 0.527 307 H N 0.123 119.240 119.070 0.078 0.000 2.556 307 H HA 0.385 4.941 4.556 0.000 0.000 0.310 307 H C 1.095 176.497 175.328 0.124 0.000 1.057 307 H CA 0.088 56.177 56.048 0.068 0.000 1.264 307 H CB 1.631 31.419 29.762 0.042 0.000 1.404 307 H HN 0.500 nan 8.280 nan 0.000 0.462 308 A N 3.332 126.283 122.820 0.218 0.000 2.067 308 A HA -0.077 4.243 4.320 0.000 0.000 0.219 308 A C 2.427 180.222 177.584 0.352 0.000 1.158 308 A CA 1.249 53.483 52.037 0.329 0.000 0.661 308 A CB -0.561 18.512 19.000 0.121 0.000 0.801 308 A HN 0.799 nan 8.150 nan 0.000 0.452 309 G N -0.480 108.476 108.800 0.261 0.000 2.479 309 G HA2 -0.153 3.807 3.960 0.000 0.000 0.220 309 G HA3 -0.153 3.807 3.960 0.000 0.000 0.220 309 G C 1.605 176.524 174.900 0.031 0.000 1.115 309 G CA 1.147 46.368 45.100 0.202 0.000 0.757 309 G HN 0.488 nan 8.290 nan 0.000 0.560 310 S N 0.371 115.955 115.700 -0.194 0.000 2.440 310 S HA -0.058 4.412 4.470 0.000 0.000 0.238 310 S C 1.192 175.499 174.600 -0.488 0.000 1.010 310 S CA 0.803 58.697 58.200 -0.510 0.000 0.972 310 S CB -0.268 62.380 63.200 -0.920 0.000 0.774 310 S HN 0.435 nan 8.310 nan 0.000 0.501 311 F N -0.009 120.097 119.950 0.259 0.000 2.647 311 F HA 0.310 4.837 4.527 0.000 0.000 0.300 311 F C 0.909 176.865 175.800 0.260 0.000 1.106 311 F CA -0.860 57.272 58.000 0.220 0.000 1.313 311 F CB -0.269 38.783 39.000 0.087 0.000 1.007 311 F HN 0.178 nan 8.300 nan 0.000 0.536 312 H N 3.871 123.097 119.070 0.260 0.000 2.764 312 H HA 0.086 4.642 4.556 0.000 0.000 0.341 312 H C -1.665 173.812 175.328 0.249 0.000 1.072 312 H CA -1.546 54.618 56.048 0.193 0.000 1.444 312 H CB 1.695 31.474 29.762 0.029 0.000 1.458 312 H HN -0.079 nan 8.280 nan 0.000 0.572 313 P HA -0.181 nan 4.420 nan 0.000 0.219 313 P C 1.509 178.979 177.300 0.284 0.000 1.146 313 P CA 0.861 64.075 63.100 0.191 0.000 0.808 313 P CB -0.207 31.521 31.700 0.047 0.000 0.779 314 F N 0.651 120.823 119.950 0.370 0.000 2.161 314 F HA -0.137 4.390 4.527 0.000 0.000 0.300 314 F C 1.884 177.677 175.800 -0.012 0.000 1.089 314 F CA 1.371 59.453 58.000 0.137 0.000 1.282 314 F CB -0.808 38.201 39.000 0.014 0.000 1.010 314 F HN -0.245 nan 8.300 nan 0.000 0.485 315 L N -0.985 120.211 121.223 -0.046 0.000 2.552 315 L HA -0.101 4.240 4.340 0.000 0.000 0.227 315 L C 1.651 178.029 176.870 -0.821 0.000 1.146 315 L CA 0.439 55.011 54.840 -0.447 0.000 0.858 315 L CB -0.478 41.306 42.059 -0.458 0.000 0.969 315 L HN 0.298 nan 8.230 nan 0.000 0.451 316 H N -2.631 116.414 119.070 -0.043 0.000 2.809 316 H HA 0.083 4.639 4.556 0.000 0.000 0.150 316 H C 1.031 176.329 175.328 -0.050 0.000 1.073 316 H CA -0.182 55.855 56.048 -0.020 0.000 1.099 316 H CB -0.179 29.608 29.762 0.042 0.000 1.078 316 H HN -0.024 nan 8.280 nan 0.000 0.337 317 D N 1.315 121.782 120.400 0.111 0.000 2.116 317 D HA -0.109 4.531 4.640 0.000 0.000 0.193 317 D C 2.103 178.376 176.300 -0.045 0.000 0.998 317 D CA 1.292 55.314 54.000 0.036 0.000 0.836 317 D CB 0.217 41.050 40.800 0.056 0.000 0.951 317 D HN 0.042 nan 8.370 nan 0.000 0.449 318 V N 0.509 120.352 119.914 -0.118 0.000 2.331 318 V HA -0.133 3.987 4.120 0.000 0.000 0.242 318 V C 2.580 178.494 176.094 -0.300 0.000 1.034 318 V CA 2.059 64.233 62.300 -0.210 0.000 1.027 318 V CB -0.507 31.144 31.823 -0.287 0.000 0.667 318 V HN 0.312 nan 8.190 nan 0.000 0.457 319 T N -1.981 112.322 114.554 -0.419 0.000 3.044 319 T HA 0.065 4.415 4.350 0.000 0.000 0.255 319 T C 1.191 175.753 174.700 -0.230 0.000 1.073 319 T CA 0.299 62.165 62.100 -0.389 0.000 1.125 319 T CB 0.136 68.694 68.868 -0.517 0.000 0.908 319 T HN 0.330 nan 8.240 nan 0.000 0.480 320 R N 1.982 122.372 120.500 -0.182 0.000 2.818 320 R HA 0.270 4.610 4.340 0.000 0.000 0.258 320 R C -2.952 173.290 176.300 -0.098 0.000 1.797 320 R CA -1.403 54.620 56.100 -0.127 0.000 1.532 320 R CB 1.361 31.628 30.300 -0.055 0.000 1.413 320 R HN 0.090 nan 8.270 nan 0.000 0.622 321 P HA 0.083 nan 4.420 nan 0.000 0.220 321 P C -0.791 176.454 177.300 -0.091 0.000 1.778 321 P CA -0.236 62.812 63.100 -0.085 0.000 0.912 321 P CB -0.150 31.499 31.700 -0.086 0.000 1.861 322 H N 1.633 120.713 119.070 0.016 0.000 2.975 322 H HA 0.059 4.615 4.556 0.000 0.000 0.303 322 H C -1.350 173.992 175.328 0.023 0.000 1.023 322 H CA -1.086 54.972 56.048 0.016 0.000 1.473 322 H CB 0.459 30.233 29.762 0.019 0.000 1.498 322 H HN 0.145 nan 8.280 nan 0.000 0.549 323 P HA -0.172 nan 4.420 nan 0.000 0.216 323 P C 1.593 178.935 177.300 0.070 0.000 1.153 323 P CA 2.093 65.237 63.100 0.074 0.000 0.858 323 P CB 0.154 31.886 31.700 0.054 0.000 0.789 324 T N -3.845 110.753 114.554 0.074 0.000 3.023 324 T HA -0.106 4.244 4.350 0.000 0.000 0.266 324 T C 1.945 176.674 174.700 0.050 0.000 1.093 324 T CA 0.649 62.776 62.100 0.046 0.000 1.129 324 T CB -0.729 68.158 68.868 0.031 0.000 0.899 324 T HN 0.143 nan 8.240 nan 0.000 0.491 325 Q N 0.790 120.643 119.800 0.089 0.000 2.046 325 Q HA -0.034 4.306 4.340 0.000 0.000 0.200 325 Q C 2.283 178.313 176.000 0.050 0.000 0.975 325 Q CA 1.447 57.311 55.803 0.102 0.000 0.836 325 Q CB -0.358 28.501 28.738 0.202 0.000 0.896 325 Q HN 0.620 nan 8.270 nan 0.000 0.428 326 I N 0.907 121.527 120.570 0.084 0.000 2.194 326 I HA -0.332 3.838 4.170 0.000 0.000 0.246 326 I C 2.539 178.656 176.117 0.001 0.000 1.093 326 I CA 1.725 63.058 61.300 0.054 0.000 1.355 326 I CB -0.447 37.593 38.000 0.066 0.000 1.046 326 I HN 0.432 nan 8.210 nan 0.000 0.413 327 E N 0.901 121.106 120.200 0.007 0.000 2.038 327 E HA -0.210 4.140 4.350 0.000 0.000 0.195 327 E C 2.307 178.891 176.600 -0.025 0.000 1.000 327 E CA 1.864 58.259 56.400 -0.008 0.000 0.803 327 E CB 0.087 29.786 29.700 -0.002 0.000 0.750 327 E HN 0.280 nan 8.360 nan 0.000 0.448 328 V N 1.256 121.157 119.914 -0.021 0.000 2.307 328 V HA -0.235 3.885 4.120 0.000 0.000 0.245 328 V C 2.512 178.572 176.094 -0.057 0.000 1.045 328 V CA 1.757 64.043 62.300 -0.023 0.000 1.024 328 V CB -0.797 31.036 31.823 0.016 0.000 0.651 328 V HN 0.470 nan 8.190 nan 0.000 0.449 329 A N 0.554 123.304 122.820 -0.117 0.000 1.908 329 A HA -0.139 4.181 4.320 0.000 0.000 0.218 329 A C 2.401 179.952 177.584 -0.054 0.000 1.181 329 A CA 2.094 54.041 52.037 -0.150 0.000 0.627 329 A CB -1.218 17.356 19.000 -0.711 0.000 0.818 329 A HN 0.541 nan 8.150 nan 0.000 0.445 330 G N -0.254 108.515 108.800 -0.052 0.000 2.402 330 G HA2 -0.244 3.716 3.960 0.000 0.000 0.216 330 G HA3 -0.244 3.716 3.960 0.000 0.000 0.216 330 G C 1.414 176.287 174.900 -0.044 0.000 1.162 330 G CA 1.026 46.111 45.100 -0.025 0.000 0.777 330 G HN 0.523 nan 8.290 nan 0.000 0.539 331 N N 0.813 119.476 118.700 -0.062 0.000 2.069 331 N HA -0.067 4.673 4.740 0.000 0.000 0.191 331 N C 2.218 177.656 175.510 -0.121 0.000 1.031 331 N CA 0.950 53.955 53.050 -0.076 0.000 0.852 331 N CB -0.322 38.122 38.487 -0.071 0.000 1.018 331 N HN 0.366 nan 8.380 nan 0.000 0.423 332 I N 0.683 121.130 120.570 -0.204 0.000 2.252 332 I HA -0.196 3.974 4.170 0.000 0.000 0.245 332 I C 2.570 178.497 176.117 -0.318 0.000 1.102 332 I CA 0.732 61.798 61.300 -0.391 0.000 1.385 332 I CB -0.195 37.317 38.000 -0.814 0.000 1.064 332 I HN 0.097 nan 8.210 nan 0.000 0.414 333 R N 1.605 122.008 120.500 -0.162 0.000 2.103 333 R HA -0.262 4.078 4.340 0.000 0.000 0.242 333 R C 2.331 178.639 176.300 0.013 0.000 1.142 333 R CA 2.003 58.113 56.100 0.017 0.000 0.960 333 R CB -0.194 30.162 30.300 0.094 0.000 0.858 333 R HN 0.226 nan 8.270 nan 0.000 0.439 334 K N 0.391 120.779 120.400 -0.019 0.000 2.057 334 K HA -0.117 4.203 4.320 0.000 0.000 0.207 334 K C 2.115 178.712 176.600 -0.006 0.000 1.049 334 K CA 1.488 57.771 56.287 -0.008 0.000 0.931 334 K CB -0.095 32.393 32.500 -0.021 0.000 0.714 334 K HN 0.234 nan 8.250 nan 0.000 0.440 335 L N 0.836 122.037 121.223 -0.037 0.000 2.131 335 L HA -0.159 4.181 4.340 0.000 0.000 0.210 335 L C 2.176 179.055 176.870 0.015 0.000 1.092 335 L CA 0.901 55.725 54.840 -0.026 0.000 0.759 335 L CB -0.258 41.764 42.059 -0.062 0.000 0.903 335 L HN 0.237 nan 8.230 nan 0.000 0.435 336 L N -0.999 120.240 121.223 0.027 0.000 2.492 336 L HA 0.021 4.361 4.340 0.000 0.000 0.223 336 L C 0.884 177.893 176.870 0.232 0.000 1.132 336 L CA -0.063 54.846 54.840 0.117 0.000 0.850 336 L CB -0.200 41.923 42.059 0.107 0.000 0.966 336 L HN 0.191 nan 8.230 nan 0.000 0.454 337 E N 0.895 121.190 120.200 0.158 0.000 2.465 337 E HA 0.024 4.374 4.350 0.000 0.000 0.260 337 E C 1.074 177.726 176.600 0.086 0.000 0.980 337 E CA 0.870 57.343 56.400 0.121 0.000 0.927 337 E CB 0.522 30.253 29.700 0.051 0.000 0.934 337 E HN 0.360 nan 8.360 nan 0.000 0.459 338 G N 2.982 111.788 108.800 0.011 0.000 2.179 338 G HA2 -0.320 3.640 3.960 0.000 0.000 0.260 338 G HA3 -0.320 3.640 3.960 0.000 0.000 0.260 338 G C 0.466 175.426 174.900 0.100 0.000 0.977 338 G CA 0.536 45.641 45.100 0.008 0.000 0.641 338 G HN 0.553 nan 8.290 nan 0.000 0.533 339 S N -0.403 115.446 115.700 0.249 0.000 2.549 339 S HA 0.510 4.980 4.470 0.000 0.000 0.279 339 S C 1.458 176.249 174.600 0.319 0.000 1.321 339 S CA 0.175 58.538 58.200 0.272 0.000 1.054 339 S CB 0.624 64.000 63.200 0.294 0.000 0.899 339 S HN 0.428 nan 8.310 nan 0.000 0.497 340 R N 2.765 123.372 120.500 0.178 0.000 2.362 340 R HA 0.192 4.532 4.340 0.000 0.000 0.227 340 R C 0.441 176.866 176.300 0.208 0.000 0.905 340 R CA 0.187 56.395 56.100 0.181 0.000 1.067 340 R CB 0.087 30.490 30.300 0.171 0.000 1.078 340 R HN 0.575 nan 8.270 nan 0.000 0.516 341 F N 1.093 121.212 119.950 0.282 0.000 2.188 341 F HA 0.248 4.775 4.527 0.000 0.000 0.289 341 F C 1.515 177.385 175.800 0.118 0.000 1.082 341 F CA -0.233 57.900 58.000 0.221 0.000 1.282 341 F CB -0.548 38.498 39.000 0.076 0.000 1.060 341 F HN -0.116 nan 8.300 nan 0.000 0.493 342 A N 0.820 123.795 122.820 0.258 0.000 2.445 342 A HA 0.423 4.743 4.320 0.000 0.000 0.242 342 A C -0.239 177.268 177.584 -0.129 0.000 1.075 342 A CA -0.317 51.735 52.037 0.025 0.000 0.777 342 A CB -0.017 18.953 19.000 -0.050 0.000 1.013 342 A HN -0.014 nan 8.150 nan 0.000 0.493 343 V N 4.354 124.184 119.914 -0.141 0.000 2.498 343 V HA 0.199 4.319 4.120 0.000 0.000 0.279 343 V C 0.179 176.193 176.094 -0.134 0.000 1.048 343 V CA -0.334 61.911 62.300 -0.093 0.000 0.967 343 V CB 0.618 32.400 31.823 -0.069 0.000 0.988 343 V HN 0.858 nan 8.190 nan 0.000 0.473 344 H N 3.561 122.723 119.070 0.154 0.000 2.489 344 H HA 0.187 4.743 4.556 0.000 0.000 0.322 344 H C 0.880 176.320 175.328 0.186 0.000 1.091 344 H CA -0.171 55.988 56.048 0.184 0.000 1.291 344 H CB 1.488 31.336 29.762 0.143 0.000 1.436 344 H HN 0.863 nan 8.280 nan 0.000 0.480 345 H N 3.293 122.519 119.070 0.260 0.000 2.319 345 H HA -0.184 4.372 4.556 0.000 0.000 0.297 345 H C 1.834 177.253 175.328 0.152 0.000 1.097 345 H CA 2.440 58.598 56.048 0.184 0.000 1.285 345 H CB 0.427 30.303 29.762 0.192 0.000 1.368 345 H HN 0.728 nan 8.280 nan 0.000 0.495 346 E N 0.449 120.715 120.200 0.110 0.000 2.418 346 E HA -0.148 4.202 4.350 0.000 0.000 0.197 346 E C 1.407 177.999 176.600 -0.014 0.000 1.026 346 E CA 1.249 57.657 56.400 0.013 0.000 0.862 346 E CB -0.048 29.728 29.700 0.126 0.000 0.799 346 E HN 0.750 nan 8.360 nan 0.000 0.518 347 E N 0.915 121.139 120.200 0.040 0.000 2.166 347 E HA -0.004 4.346 4.350 0.000 0.000 0.192 347 E C 1.888 178.485 176.600 -0.005 0.000 0.967 347 E CA 0.407 56.826 56.400 0.032 0.000 0.840 347 E CB 0.137 29.892 29.700 0.091 0.000 0.795 347 E HN 0.311 nan 8.360 nan 0.000 0.470 348 E N 0.939 121.134 120.200 -0.008 0.000 2.085 348 E HA -0.134 4.216 4.350 0.000 0.000 0.194 348 E C 1.257 177.813 176.600 -0.073 0.000 0.994 348 E CA 1.165 57.556 56.400 -0.014 0.000 0.801 348 E CB -0.185 29.526 29.700 0.018 0.000 0.743 348 E HN 0.132 nan 8.360 nan 0.000 0.453 355 E N 0.025 120.231 120.200 0.009 0.000 2.702 355 E HA 0.360 4.710 4.350 0.000 0.000 0.225 355 E C 1.078 177.683 176.600 0.009 0.000 0.942 355 E CA -0.007 56.399 56.400 0.011 0.000 1.210 355 E CB 1.210 30.917 29.700 0.012 0.000 1.143 355 E HN 0.232 nan 8.360 nan 0.000 0.544 356 G N 2.396 111.199 108.800 0.006 0.000 2.283 356 G HA2 -0.310 3.650 3.960 0.000 0.000 0.280 356 G HA3 -0.310 3.650 3.960 0.000 0.000 0.280 356 G C 0.232 175.134 174.900 0.003 0.000 1.029 356 G CA 0.374 45.477 45.100 0.004 0.000 0.840 356 G HN 0.252 nan 8.290 nan 0.000 0.505 357 I N -0.699 119.874 120.570 0.006 0.000 2.696 357 I HA 0.264 4.434 4.170 0.000 0.000 0.284 357 I C 0.881 177.004 176.117 0.010 0.000 1.129 357 I CA -0.645 60.659 61.300 0.007 0.000 1.410 357 I CB 0.995 39.000 38.000 0.009 0.000 1.399 357 I HN 0.110 nan 8.210 nan 0.000 0.579 358 L N 6.840 128.070 121.223 0.011 0.000 2.260 358 L HA 0.302 4.642 4.340 0.000 0.000 0.289 358 L C 0.956 177.850 176.870 0.041 0.000 1.057 358 L CA 0.412 55.263 54.840 0.019 0.000 0.811 358 L CB 0.205 42.270 42.059 0.010 0.000 1.184 358 L HN 0.547 nan 8.230 nan 0.000 0.429 359 R N 1.962 122.494 120.500 0.053 0.000 2.191 359 R HA 0.210 4.550 4.340 0.000 0.000 0.196 359 R C 0.101 176.488 176.300 0.143 0.000 0.991 359 R CA -0.232 55.922 56.100 0.091 0.000 1.075 359 R CB 0.198 30.533 30.300 0.058 0.000 1.040 359 R HN 0.590 nan 8.270 nan 0.000 0.526 360 Q N 1.565 121.410 119.800 0.075 0.000 2.368 360 Q HA 0.080 4.420 4.340 0.000 0.000 0.237 360 Q C -0.701 175.377 176.000 0.131 0.000 0.987 360 Q CA -0.003 55.836 55.803 0.059 0.000 0.896 360 Q CB 0.877 29.628 28.738 0.022 0.000 1.241 360 Q HN 0.025 nan 8.270 nan 0.000 0.485 361 D N 1.208 121.712 120.400 0.173 0.000 2.339 361 D HA 0.127 4.767 4.640 0.000 0.000 0.245 361 D C 0.246 176.616 176.300 0.117 0.000 1.115 361 D CA 0.106 54.195 54.000 0.149 0.000 0.917 361 D CB 0.765 41.664 40.800 0.165 0.000 1.192 361 D HN 0.220 nan 8.370 nan 0.000 0.428 362 R N 0.659 121.211 120.500 0.086 0.000 2.652 362 R HA 0.119 4.459 4.340 0.000 0.000 0.272 362 R C 1.073 177.490 176.300 0.196 0.000 1.162 362 R CA -0.580 55.568 56.100 0.080 0.000 1.199 362 R CB 0.168 30.452 30.300 -0.027 0.000 1.166 362 R HN 0.431 nan 8.270 nan 0.000 0.597 363 Y N 0.396 120.669 120.300 -0.044 0.000 2.224 363 Y HA -0.065 4.485 4.550 0.000 0.000 0.289 363 Y C -0.744 175.109 175.900 -0.079 0.000 1.146 363 Y CA 0.558 58.626 58.100 -0.055 0.000 1.182 363 Y CB -1.823 36.593 38.460 -0.072 0.000 0.983 363 Y HN 0.504 nan 8.280 nan 0.000 0.524 364 P HA -0.174 nan 4.420 nan 0.000 0.217 364 P C 1.592 178.918 177.300 0.044 0.000 1.148 364 P CA 1.690 64.766 63.100 -0.039 0.000 0.828 364 P CB -0.056 31.599 31.700 -0.074 0.000 0.783 365 L N -1.867 119.413 121.223 0.094 0.000 2.189 365 L HA 0.120 4.460 4.340 0.000 0.000 0.199 365 L C 2.695 179.651 176.870 0.144 0.000 1.074 365 L CA 0.667 55.607 54.840 0.168 0.000 0.783 365 L CB -0.535 41.626 42.059 0.170 0.000 0.955 365 L HN -0.240 nan 8.230 nan 0.000 0.460 366 R N 0.339 120.883 120.500 0.072 0.000 2.148 366 R HA -0.113 4.227 4.340 0.000 0.000 0.227 366 R C 1.711 177.982 176.300 -0.048 0.000 1.103 366 R CA 1.684 57.764 56.100 -0.033 0.000 0.983 366 R CB 0.022 30.324 30.300 0.003 0.000 0.874 366 R HN 0.423 nan 8.270 nan 0.000 0.451 367 T N -2.352 112.203 114.554 0.002 0.000 3.134 367 T HA 0.096 4.446 4.350 0.000 0.000 0.260 367 T C 1.434 176.227 174.700 0.155 0.000 1.027 367 T CA 0.206 62.314 62.100 0.014 0.000 0.913 367 T CB 0.468 69.279 68.868 -0.095 0.000 1.046 367 T HN 0.228 nan 8.240 nan 0.000 0.553 368 S N 2.487 118.303 115.700 0.194 0.000 2.370 368 S HA -0.023 4.447 4.470 0.000 0.000 0.226 368 S C -0.705 174.067 174.600 0.287 0.000 1.033 368 S CA 0.876 59.234 58.200 0.263 0.000 1.011 368 S CB -1.754 61.618 63.200 0.287 0.000 0.852 368 S HN 0.435 nan 8.310 nan 0.000 0.457 369 P HA 0.026 nan 4.420 nan 0.000 0.219 369 P C 1.318 178.728 177.300 0.183 0.000 1.150 369 P CA 1.088 64.300 63.100 0.187 0.000 0.814 369 P CB -0.136 31.613 31.700 0.081 0.000 0.787 370 Q N -2.103 117.826 119.800 0.215 0.000 2.230 370 Q HA -0.101 4.239 4.340 0.000 0.000 0.202 370 Q C 1.887 177.996 176.000 0.181 0.000 0.963 370 Q CA 1.116 57.019 55.803 0.168 0.000 0.866 370 Q CB -0.707 28.116 28.738 0.141 0.000 0.931 370 Q HN 0.411 nan 8.270 nan 0.000 0.452 371 W N -0.115 121.209 121.300 0.040 0.000 2.480 371 W HA 0.029 4.689 4.660 0.000 0.000 0.299 371 W C 1.101 177.641 176.519 0.035 0.000 1.187 371 W CA 0.859 58.227 57.345 0.039 0.000 1.347 371 W CB 0.113 29.612 29.460 0.064 0.000 1.121 371 W HN 0.153 nan 8.180 nan 0.000 0.533 372 L N 0.123 121.498 121.223 0.253 0.000 2.209 372 L HA 0.050 4.390 4.340 0.000 0.000 0.207 372 L C 2.766 179.658 176.870 0.037 0.000 1.094 372 L CA 0.980 55.902 54.840 0.136 0.000 0.790 372 L CB -1.399 40.762 42.059 0.170 0.000 0.932 372 L HN -0.042 nan 8.230 nan 0.000 0.447 373 G N 1.421 110.243 108.800 0.038 0.000 2.529 373 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 373 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 373 G C -0.728 174.144 174.900 -0.047 0.000 1.177 373 G CA 1.006 46.109 45.100 0.005 0.000 0.773 373 G HN 0.304 nan 8.290 nan 0.000 0.573 374 P HA -0.055 nan 4.420 nan 0.000 0.215 374 P C 2.151 179.386 177.300 -0.107 0.000 1.153 374 P CA 1.326 64.340 63.100 -0.143 0.000 0.853 374 P CB -0.252 31.320 31.700 -0.212 0.000 0.788 375 L N -3.452 117.706 121.223 -0.109 0.000 2.201 375 L HA -0.047 4.293 4.340 0.000 0.000 0.212 375 L C 2.038 178.899 176.870 -0.016 0.000 1.105 375 L CA 1.597 56.395 54.840 -0.069 0.000 0.775 375 L CB -1.838 40.177 42.059 -0.074 0.000 0.913 375 L HN -0.217 nan 8.230 nan 0.000 0.440 376 V N -0.306 119.609 119.914 0.002 0.000 2.358 376 V HA -0.248 3.872 4.120 0.000 0.000 0.246 376 V C 2.897 179.017 176.094 0.044 0.000 1.047 376 V CA 1.908 64.230 62.300 0.036 0.000 1.035 376 V CB -0.567 31.278 31.823 0.036 0.000 0.658 376 V HN 0.682 nan 8.190 nan 0.000 0.452 377 S N -0.314 115.399 115.700 0.021 0.000 2.383 377 S HA -0.252 4.218 4.470 0.000 0.000 0.229 377 S C 1.749 176.385 174.600 0.059 0.000 1.030 377 S CA 1.899 60.122 58.200 0.037 0.000 1.002 377 S CB -0.452 62.756 63.200 0.013 0.000 0.829 377 S HN 0.651 nan 8.310 nan 0.000 0.467 378 D N 1.185 121.596 120.400 0.018 0.000 2.117 378 D HA -0.057 4.583 4.640 0.000 0.000 0.197 378 D C 1.934 178.284 176.300 0.082 0.000 0.987 378 D CA 0.977 54.987 54.000 0.017 0.000 0.829 378 D CB -0.437 40.341 40.800 -0.037 0.000 0.961 378 D HN 0.394 nan 8.370 nan 0.000 0.460 379 L N 0.314 121.582 121.223 0.075 0.000 2.083 379 L HA -0.108 4.232 4.340 0.000 0.000 0.209 379 L C 2.496 179.501 176.870 0.225 0.000 1.083 379 L CA 0.665 55.564 54.840 0.098 0.000 0.752 379 L CB -0.280 41.825 42.059 0.077 0.000 0.899 379 L HN 0.026 nan 8.230 nan 0.000 0.433 380 I N -1.134 119.558 120.570 0.203 0.000 2.252 380 I HA -0.314 3.856 4.170 0.000 0.000 0.245 380 I C 2.713 178.946 176.117 0.194 0.000 1.102 380 I CA 1.076 62.486 61.300 0.184 0.000 1.385 380 I CB -0.558 37.499 38.000 0.094 0.000 1.064 380 I HN 0.372 nan 8.210 nan 0.000 0.414 381 H N 1.616 120.736 119.070 0.083 0.000 2.321 381 H HA -0.148 4.408 4.556 0.000 0.000 0.300 381 H C 2.212 177.582 175.328 0.071 0.000 1.087 381 H CA 1.909 57.995 56.048 0.062 0.000 1.319 381 H CB 0.161 29.942 29.762 0.031 0.000 1.379 381 H HN 0.315 nan 8.280 nan 0.000 0.501 382 A N 0.107 123.072 122.820 0.240 0.000 1.940 382 A HA -0.243 4.077 4.320 0.000 0.000 0.219 382 A C 2.269 179.908 177.584 0.092 0.000 1.176 382 A CA 1.917 54.041 52.037 0.145 0.000 0.631 382 A CB -1.101 17.954 19.000 0.093 0.000 0.814 382 A HN 0.658 nan 8.150 nan 0.000 0.446 383 H N -0.399 118.718 119.070 0.078 0.000 2.353 383 H HA -0.002 4.554 4.556 0.000 0.000 0.300 383 H C 2.287 177.628 175.328 0.021 0.000 1.090 383 H CA 1.931 58.034 56.048 0.092 0.000 1.327 383 H CB -0.121 29.742 29.762 0.168 0.000 1.383 383 H HN 0.448 nan 8.280 nan 0.000 0.508 384 A N -0.295 122.590 122.820 0.107 0.000 1.902 384 A HA -0.139 4.181 4.320 0.000 0.000 0.217 384 A C 2.622 180.163 177.584 -0.072 0.000 1.181 384 A CA 1.726 53.760 52.037 -0.004 0.000 0.623 384 A CB -0.852 18.093 19.000 -0.092 0.000 0.818 384 A HN 0.317 nan 8.150 nan 0.000 0.443 385 V N 0.119 119.969 119.914 -0.107 0.000 2.307 385 V HA -0.226 3.894 4.120 0.000 0.000 0.245 385 V C 2.539 178.596 176.094 -0.063 0.000 1.045 385 V CA 1.868 64.117 62.300 -0.085 0.000 1.024 385 V CB -0.729 31.066 31.823 -0.046 0.000 0.651 385 V HN 0.562 nan 8.190 nan 0.000 0.449 386 L N -0.377 120.802 121.223 -0.072 0.000 2.141 386 L HA -0.143 4.197 4.340 0.000 0.000 0.209 386 L C 2.607 179.413 176.870 -0.106 0.000 1.094 386 L CA 1.648 56.434 54.840 -0.090 0.000 0.763 386 L CB -0.997 40.994 42.059 -0.113 0.000 0.908 386 L HN 0.371 nan 8.230 nan 0.000 0.437 387 T N 0.372 114.854 114.554 -0.120 0.000 2.720 387 T HA -0.161 4.189 4.350 0.000 0.000 0.268 387 T C 1.931 176.601 174.700 -0.051 0.000 1.037 387 T CA 1.341 63.392 62.100 -0.082 0.000 1.144 387 T CB -0.140 68.709 68.868 -0.032 0.000 0.864 387 T HN 0.209 nan 8.240 nan 0.000 0.444 388 I N 0.635 121.177 120.570 -0.046 0.000 2.202 388 I HA -0.136 4.035 4.170 0.000 0.000 0.242 388 I C 2.744 178.830 176.117 -0.052 0.000 1.091 388 I CA 1.293 62.568 61.300 -0.042 0.000 1.368 388 I CB -0.333 37.643 38.000 -0.039 0.000 1.058 388 I HN 0.213 nan 8.210 nan 0.000 0.410 389 E N 1.392 121.560 120.200 -0.052 0.000 2.077 389 E HA -0.187 4.163 4.350 0.000 0.000 0.193 389 E C 2.071 178.641 176.600 -0.050 0.000 0.989 389 E CA 1.785 58.156 56.400 -0.048 0.000 0.800 389 E CB -0.094 29.582 29.700 -0.040 0.000 0.746 389 E HN 0.420 nan 8.360 nan 0.000 0.452 390 A N -0.713 122.075 122.820 -0.054 0.000 1.975 390 A HA 0.178 4.498 4.320 0.000 0.000 0.215 390 A C 2.213 179.764 177.584 -0.055 0.000 1.170 390 A CA 1.249 53.255 52.037 -0.051 0.000 0.656 390 A CB -0.382 18.585 19.000 -0.054 0.000 0.821 390 A HN 0.365 nan 8.150 nan 0.000 0.449 391 G N -1.882 106.883 108.800 -0.059 0.000 2.939 391 G HA2 0.300 4.260 3.960 0.000 0.000 0.216 391 G HA3 0.300 4.260 3.960 0.000 0.000 0.216 391 G C 0.838 175.677 174.900 -0.102 0.000 1.125 391 G CA 0.322 45.386 45.100 -0.061 0.000 0.766 391 G HN 0.492 nan 8.290 nan 0.000 0.541 392 Q N 0.089 119.818 119.800 -0.117 0.000 2.023 392 Q HA 0.311 4.651 4.340 0.000 0.000 0.221 392 Q C -0.774 175.122 176.000 -0.173 0.000 0.806 392 Q CA -0.090 55.604 55.803 -0.182 0.000 1.052 392 Q CB 1.613 30.308 28.738 -0.072 0.000 1.229 392 Q HN 0.167 nan 8.270 nan 0.000 0.440 393 S N 0.269 115.887 115.700 -0.137 0.000 2.536 393 S HA 0.545 5.015 4.470 0.000 0.000 0.287 393 S C -0.499 174.063 174.600 -0.062 0.000 1.101 393 S CA -0.527 57.620 58.200 -0.088 0.000 0.950 393 S CB 2.055 65.217 63.200 -0.063 0.000 1.056 393 S HN -0.010 nan 8.310 nan 0.000 0.481 394 T N 2.042 116.585 114.554 -0.018 0.000 2.749 394 T HA 0.433 4.783 4.350 0.000 0.000 0.287 394 T C 0.984 175.687 174.700 0.004 0.000 0.970 394 T CA -0.531 61.585 62.100 0.028 0.000 0.980 394 T CB 0.965 69.919 68.868 0.145 0.000 0.924 394 T HN 0.745 nan 8.240 nan 0.000 0.456 395 T N -1.346 113.221 114.554 0.021 0.000 3.043 395 T HA 0.152 4.502 4.350 0.000 0.000 0.272 395 T C 0.490 175.255 174.700 0.108 0.000 0.990 395 T CA -0.599 61.522 62.100 0.034 0.000 0.897 395 T CB 0.092 68.980 68.868 0.034 0.000 1.111 395 T HN 0.634 nan 8.240 nan 0.000 0.529 396 D N 1.603 122.065 120.400 0.103 0.000 2.469 396 D HA 0.441 5.081 4.640 0.000 0.000 0.278 396 D C -0.269 176.138 176.300 0.177 0.000 1.231 396 D CA -0.514 53.574 54.000 0.147 0.000 1.075 396 D CB 0.585 41.441 40.800 0.093 0.000 1.121 396 D HN 0.269 nan 8.370 nan 0.000 0.571 397 N N -1.749 117.058 118.700 0.178 0.000 3.171 397 N HA 0.271 5.011 4.740 0.000 0.000 0.239 397 N C -2.984 172.597 175.510 0.119 0.000 1.275 397 N CA -1.057 52.101 53.050 0.180 0.000 0.920 397 N CB 1.835 40.559 38.487 0.394 0.000 1.554 397 N HN 0.076 nan 8.380 nan 0.000 0.504 398 P HA 0.180 nan 4.420 nan 0.000 0.270 398 P C -0.795 176.493 177.300 -0.019 0.000 1.227 398 P CA 0.019 63.077 63.100 -0.070 0.000 0.788 398 P CB 0.689 32.168 31.700 -0.369 0.000 0.926 399 L N 1.071 122.281 121.223 -0.022 0.000 2.334 399 L HA 0.496 4.836 4.340 0.000 0.000 0.273 399 L C 0.162 177.063 176.870 0.052 0.000 1.013 399 L CA -1.063 53.793 54.840 0.027 0.000 0.816 399 L CB 1.375 43.428 42.059 -0.009 0.000 1.278 399 L HN 0.202 nan 8.230 nan 0.000 0.431 400 I N 1.550 122.160 120.570 0.068 0.000 2.362 400 I HA 0.193 4.364 4.170 0.000 0.000 0.289 400 I C -0.305 175.804 176.117 -0.013 0.000 0.994 400 I CA -0.053 61.261 61.300 0.023 0.000 1.158 400 I CB 1.434 39.469 38.000 0.059 0.000 1.315 400 I HN 0.390 nan 8.210 nan 0.000 0.451 401 D N 6.219 126.578 120.400 -0.068 0.000 2.456 401 D HA 0.193 4.834 4.640 0.000 0.000 0.219 401 D C 0.836 176.966 176.300 -0.284 0.000 1.126 401 D CA -0.105 53.849 54.000 -0.078 0.000 0.890 401 D CB 1.304 42.129 40.800 0.041 0.000 1.025 401 D HN 0.262 nan 8.370 nan 0.000 0.511 402 V N 3.535 123.301 119.914 -0.247 0.000 2.358 402 V HA -0.170 3.950 4.120 0.000 0.000 0.246 402 V C 2.279 178.251 176.094 -0.203 0.000 1.047 402 V CA 1.332 63.429 62.300 -0.339 0.000 1.035 402 V CB -0.366 31.375 31.823 -0.136 0.000 0.658 402 V HN 0.466 nan 8.190 nan 0.000 0.452 403 E N 1.122 121.264 120.200 -0.097 0.000 2.085 403 E HA -0.187 4.163 4.350 0.000 0.000 0.194 403 E C 1.790 178.360 176.600 -0.049 0.000 0.994 403 E CA 1.512 57.884 56.400 -0.047 0.000 0.801 403 E CB -0.253 29.435 29.700 -0.020 0.000 0.743 403 E HN 0.585 nan 8.360 nan 0.000 0.453 404 N N 0.439 119.101 118.700 -0.065 0.000 2.270 404 N HA 0.028 4.768 4.740 0.000 0.000 0.198 404 N C -0.596 174.876 175.510 -0.064 0.000 1.117 404 N CA 0.162 53.190 53.050 -0.037 0.000 0.845 404 N CB 0.396 38.883 38.487 0.001 0.000 0.980 404 N HN 0.117 nan 8.380 nan 0.000 0.486 405 K N 0.907 121.197 120.400 -0.184 0.000 3.148 405 K HA -0.149 4.171 4.320 0.000 0.000 0.267 405 K C -0.569 175.995 176.600 -0.060 0.000 0.996 405 K CA 0.703 56.878 56.287 -0.186 0.000 0.737 405 K CB -1.966 30.642 32.500 0.179 0.000 1.308 405 K HN 0.385 nan 8.250 nan 0.000 0.470 406 T N -3.313 111.089 114.554 -0.252 0.000 2.933 406 T HA 0.522 4.872 4.350 0.000 0.000 0.305 406 T C -0.232 174.350 174.700 -0.197 0.000 1.092 406 T CA -0.891 61.128 62.100 -0.135 0.000 1.008 406 T CB 2.193 70.931 68.868 -0.216 0.000 1.102 406 T HN -0.004 nan 8.240 nan 0.000 0.469 407 S N 1.460 117.086 115.700 -0.124 0.000 2.617 407 S HA 0.582 5.052 4.470 0.000 0.000 0.283 407 S C -0.771 173.611 174.600 -0.364 0.000 1.189 407 S CA -0.787 57.339 58.200 -0.124 0.000 1.036 407 S CB 0.339 63.537 63.200 -0.003 0.000 1.014 407 S HN 0.722 nan 8.310 nan 0.000 0.522 408 H N 1.326 120.311 119.070 -0.142 0.000 2.667 408 H HA 0.291 4.847 4.556 0.000 0.000 0.353 408 H C -1.199 173.992 175.328 -0.228 0.000 1.072 408 H CA -0.463 55.519 56.048 -0.110 0.000 1.214 408 H CB 1.242 30.960 29.762 -0.074 0.000 1.600 408 H HN 0.627 nan 8.280 nan 0.000 0.527 409 H N 1.246 120.399 119.070 0.138 0.000 2.597 409 H HA 0.455 5.011 4.556 0.000 0.000 0.303 409 H C 0.501 175.882 175.328 0.088 0.000 1.057 409 H CA -0.085 56.029 56.048 0.110 0.000 1.261 409 H CB 1.486 31.299 29.762 0.086 0.000 1.397 409 H HN 0.865 nan 8.280 nan 0.000 0.461 410 G N 0.856 109.737 108.800 0.135 0.000 3.247 410 G HA2 0.493 4.454 3.960 0.000 0.000 0.226 410 G HA3 0.493 4.454 3.960 0.000 0.000 0.226 410 G C 0.070 174.911 174.900 -0.098 0.000 1.220 410 G CA -0.545 44.565 45.100 0.016 0.000 0.875 410 G HN 0.609 nan 8.290 nan 0.000 0.606 411 G N -0.423 108.167 108.800 -0.350 0.000 5.021 411 G HA2 0.187 4.147 3.960 0.000 0.000 0.254 411 G HA3 0.187 4.147 3.960 0.000 0.000 0.254 411 G C 0.281 174.595 174.900 -0.978 0.000 0.932 411 G CA -0.142 44.422 45.100 -0.893 0.000 0.743 411 G HN 0.280 nan 8.290 nan 0.000 0.441 412 N N 0.920 119.235 118.700 -0.642 0.000 2.571 412 N HA -0.023 4.717 4.740 0.000 0.000 0.189 412 N C 1.547 176.899 175.510 -0.264 0.000 1.154 412 N CA 0.323 53.162 53.050 -0.352 0.000 0.907 412 N CB -0.187 38.195 38.487 -0.176 0.000 0.977 412 N HN 0.611 nan 8.380 nan 0.000 0.449 413 F N 0.010 119.963 119.950 0.004 0.000 2.780 413 F HA 0.240 4.767 4.527 0.000 0.000 0.299 413 F C 0.890 176.694 175.800 0.007 0.000 1.146 413 F CA -0.637 57.367 58.000 0.006 0.000 1.428 413 F CB -0.813 38.196 39.000 0.014 0.000 1.115 413 F HN -0.212 nan 8.300 nan 0.000 0.583 414 Q N 2.270 122.019 119.800 -0.086 0.000 2.369 414 Q HA 0.460 4.800 4.340 0.000 0.000 0.247 414 Q C 0.429 176.441 176.000 0.020 0.000 1.083 414 Q CA 0.024 55.858 55.803 0.051 0.000 0.905 414 Q CB 0.894 29.601 28.738 -0.051 0.000 1.305 414 Q HN 0.358 nan 8.270 nan 0.000 0.465 415 A N 3.947 126.802 122.820 0.059 0.000 2.543 415 A HA 0.349 4.669 4.320 0.000 0.000 0.258 415 A C 1.451 179.047 177.584 0.020 0.000 1.391 415 A CA 0.567 52.623 52.037 0.033 0.000 1.066 415 A CB -0.631 18.396 19.000 0.044 0.000 0.972 415 A HN 0.865 nan 8.150 nan 0.000 0.560 416 A N 0.002 122.829 122.820 0.012 0.000 1.972 416 A HA 0.130 4.450 4.320 0.000 0.000 0.219 416 A C 2.382 179.970 177.584 0.007 0.000 1.169 416 A CA 1.711 53.754 52.037 0.009 0.000 0.635 416 A CB -0.585 18.418 19.000 0.004 0.000 0.810 416 A HN 1.098 nan 8.150 nan 0.000 0.446 417 A N -0.457 122.363 122.820 0.001 0.000 1.902 417 A HA -0.013 4.307 4.320 0.000 0.000 0.217 417 A C 2.219 179.809 177.584 0.010 0.000 1.181 417 A CA 1.850 53.891 52.037 0.007 0.000 0.623 417 A CB -0.845 18.151 19.000 -0.006 0.000 0.818 417 A HN 0.386 nan 8.150 nan 0.000 0.443 418 V N -0.206 119.711 119.914 0.004 0.000 2.307 418 V HA -0.210 3.910 4.120 0.000 0.000 0.245 418 V C 3.066 179.163 176.094 0.006 0.000 1.045 418 V CA 1.837 64.138 62.300 0.002 0.000 1.024 418 V CB -1.370 30.454 31.823 0.001 0.000 0.651 418 V HN 0.609 nan 8.190 nan 0.000 0.449 419 A N 0.628 123.453 122.820 0.010 0.000 1.892 419 A HA -0.334 3.986 4.320 0.000 0.000 0.218 419 A C 2.224 179.812 177.584 0.008 0.000 1.188 419 A CA 2.306 54.348 52.037 0.010 0.000 0.631 419 A CB -0.996 18.012 19.000 0.013 0.000 0.822 419 A HN 0.634 nan 8.150 nan 0.000 0.447 420 N N 0.243 118.950 118.700 0.011 0.000 2.061 420 N HA -0.147 4.593 4.740 0.000 0.000 0.193 420 N C 1.217 176.736 175.510 0.015 0.000 1.030 420 N CA 2.042 55.099 53.050 0.012 0.000 0.856 420 N CB -0.621 37.881 38.487 0.024 0.000 1.023 420 N HN 0.617 nan 8.380 nan 0.000 0.424 424 K N 1.427 121.813 120.400 -0.024 0.000 2.026 424 K HA 0.002 4.322 4.320 0.000 0.000 0.208 424 K C 1.908 178.491 176.600 -0.030 0.000 1.048 424 K CA 2.089 58.355 56.287 -0.035 0.000 0.929 424 K CB -0.512 31.962 32.500 -0.044 0.000 0.713 424 K HN -0.103 nan 8.250 nan 0.000 0.439 425 T N 0.986 115.527 114.554 -0.022 0.000 2.720 425 T HA -0.151 4.199 4.350 0.000 0.000 0.268 425 T C 1.934 176.625 174.700 -0.016 0.000 1.037 425 T CA 1.698 63.784 62.100 -0.024 0.000 1.144 425 T CB -0.215 68.634 68.868 -0.032 0.000 0.864 425 T HN 0.372 nan 8.240 nan 0.000 0.444 426 R N 0.206 120.699 120.500 -0.012 0.000 2.092 426 R HA -0.018 4.322 4.340 0.000 0.000 0.231 426 R C 2.342 178.641 176.300 -0.001 0.000 1.119 426 R CA 0.919 57.017 56.100 -0.004 0.000 0.970 426 R CB -0.411 29.886 30.300 -0.005 0.000 0.864 426 R HN 0.252 nan 8.270 nan 0.000 0.440 427 L N 0.249 121.464 121.223 -0.013 0.000 2.046 427 L HA 0.010 4.350 4.340 0.000 0.000 0.208 427 L C 2.079 178.940 176.870 -0.015 0.000 1.077 427 L CA 2.281 57.111 54.840 -0.017 0.000 0.747 427 L CB -0.990 41.048 42.059 -0.034 0.000 0.896 427 L HN 0.273 nan 8.230 nan 0.000 0.432 428 G N -0.630 108.157 108.800 -0.022 0.000 2.422 428 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 428 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 428 G C 1.589 176.503 174.900 0.023 0.000 1.146 428 G CA 1.017 46.105 45.100 -0.019 0.000 0.769 428 G HN 0.447 nan 8.290 nan 0.000 0.547 429 L N 0.604 121.844 121.223 0.029 0.000 2.093 429 L HA 0.004 4.344 4.340 0.000 0.000 0.208 429 L C 3.361 180.281 176.870 0.083 0.000 1.085 429 L CA 0.894 55.766 54.840 0.054 0.000 0.755 429 L CB -0.356 41.727 42.059 0.040 0.000 0.904 429 L HN 0.284 nan 8.230 nan 0.000 0.435 430 A N -0.637 122.226 122.820 0.072 0.000 1.933 430 A HA -0.196 4.125 4.320 0.000 0.000 0.218 430 A C 2.285 179.961 177.584 0.153 0.000 1.175 430 A CA 1.228 53.322 52.037 0.096 0.000 0.628 430 A CB -0.293 18.748 19.000 0.069 0.000 0.814 430 A HN 0.367 nan 8.150 nan 0.000 0.444 431 Q N -0.229 119.655 119.800 0.141 0.000 2.079 431 Q HA -0.044 4.296 4.340 0.000 0.000 0.200 431 Q C 2.125 178.370 176.000 0.408 0.000 0.974 431 Q CA 1.227 57.178 55.803 0.247 0.000 0.840 431 Q CB -0.476 28.251 28.738 -0.018 0.000 0.898 431 Q HN 0.778 nan 8.270 nan 0.000 0.430 432 I N 0.304 121.027 120.570 0.255 0.000 2.179 432 I HA -0.222 3.948 4.170 0.000 0.000 0.242 432 I C 2.317 178.587 176.117 0.255 0.000 1.088 432 I CA 1.364 62.819 61.300 0.259 0.000 1.357 432 I CB -0.686 37.413 38.000 0.166 0.000 1.051 432 I HN 0.222 nan 8.210 nan 0.000 0.409 433 G N 0.797 109.727 108.800 0.216 0.000 2.418 433 G HA2 -0.321 3.639 3.960 0.000 0.000 0.217 433 G HA3 -0.321 3.639 3.960 0.000 0.000 0.217 433 G C 1.653 176.700 174.900 0.246 0.000 1.158 433 G CA 1.045 46.271 45.100 0.209 0.000 0.771 433 G HN 0.209 nan 8.290 nan 0.000 0.545 434 K N 0.057 120.611 120.400 0.257 0.000 2.063 434 K HA -0.033 4.287 4.320 0.000 0.000 0.208 434 K C 2.293 179.012 176.600 0.199 0.000 1.048 434 K CA 1.010 57.456 56.287 0.264 0.000 0.928 434 K CB -0.648 32.030 32.500 0.297 0.000 0.713 434 K HN 0.248 nan 8.250 nan 0.000 0.442 435 L N 1.123 122.445 121.223 0.165 0.000 1.976 435 L HA -0.165 4.175 4.340 0.000 0.000 0.209 435 L C 1.400 178.305 176.870 0.058 0.000 1.071 435 L CA 2.121 56.946 54.840 -0.026 0.000 0.746 435 L CB -0.888 41.211 42.059 0.066 0.000 0.890 435 L HN 0.322 nan 8.230 nan 0.000 0.432 436 N N -1.532 117.269 118.700 0.169 0.000 2.188 436 N HA -0.213 4.527 4.740 0.000 0.000 0.184 436 N C 1.664 177.200 175.510 0.043 0.000 1.018 436 N CA 1.404 54.575 53.050 0.202 0.000 0.858 436 N CB -0.387 38.323 38.487 0.372 0.000 0.989 436 N HN 0.399 nan 8.380 nan 0.000 0.426 437 F N 1.912 121.859 119.950 -0.004 0.000 2.095 437 F HA -0.211 4.316 4.527 0.000 0.000 0.298 437 F C 2.490 178.230 175.800 -0.099 0.000 1.104 437 F CA 1.734 59.703 58.000 -0.051 0.000 1.232 437 F CB -1.036 37.964 39.000 0.000 0.000 0.987 437 F HN 0.067 nan 8.300 nan 0.000 0.475 438 T N -1.680 112.704 114.554 -0.284 0.000 2.788 438 T HA -0.227 4.123 4.350 0.000 0.000 0.268 438 T C 1.810 176.300 174.700 -0.350 0.000 1.044 438 T CA 1.633 63.496 62.100 -0.395 0.000 1.139 438 T CB -0.728 68.031 68.868 -0.181 0.000 0.867 438 T HN 0.530 nan 8.240 nan 0.000 0.454 439 Q N 0.286 119.941 119.800 -0.242 0.000 2.046 439 Q HA 0.056 4.396 4.340 0.000 0.000 0.200 439 Q C 2.346 178.170 176.000 -0.295 0.000 0.975 439 Q CA 1.357 57.056 55.803 -0.174 0.000 0.836 439 Q CB -0.352 28.377 28.738 -0.014 0.000 0.896 439 Q HN 0.418 nan 8.270 nan 0.000 0.428 440 L N 0.185 121.097 121.223 -0.518 0.000 2.017 440 L HA -0.157 4.183 4.340 0.000 0.000 0.208 440 L C 2.327 178.969 176.870 -0.380 0.000 1.073 440 L CA 2.162 56.682 54.840 -0.534 0.000 0.745 440 L CB -0.951 40.731 42.059 -0.628 0.000 0.894 440 L HN 0.129 nan 8.230 nan 0.000 0.432 441 T N -1.093 113.148 114.554 -0.523 0.000 2.951 441 T HA -0.109 4.241 4.350 0.000 0.000 0.268 441 T C 1.057 175.580 174.700 -0.296 0.000 1.073 441 T CA 0.520 62.349 62.100 -0.453 0.000 1.134 441 T CB -0.213 68.205 68.868 -0.750 0.000 0.884 441 T HN 0.541 nan 8.240 nan 0.000 0.479 445 N N 1.797 120.448 118.700 -0.081 0.000 2.439 445 N HA 0.386 5.126 4.740 0.000 0.000 0.249 445 N C 0.893 176.372 175.510 -0.051 0.000 1.003 445 N CA 0.679 53.690 53.050 -0.064 0.000 0.942 445 N CB 2.106 40.546 38.487 -0.078 0.000 1.115 445 N HN 0.213 nan 8.380 nan 0.000 0.505 446 A N 3.180 125.980 122.820 -0.034 0.000 2.024 446 A HA 0.040 4.360 4.320 0.000 0.000 0.220 446 A C 1.221 178.786 177.584 -0.032 0.000 1.164 446 A CA 1.304 53.324 52.037 -0.029 0.000 0.643 446 A CB -0.763 18.231 19.000 -0.010 0.000 0.806 446 A HN 0.643 nan 8.150 nan 0.000 0.451 450 R N 0.701 121.174 120.500 -0.045 0.000 3.416 450 R HA -0.117 4.223 4.340 0.000 0.000 0.263 450 R C 1.012 177.285 176.300 -0.045 0.000 1.053 450 R CA 1.247 57.324 56.100 -0.037 0.000 0.705 450 R CB -2.406 27.876 30.300 -0.030 0.000 1.124 450 R HN 1.283 nan 8.270 nan 0.000 0.444 451 G N -0.834 107.932 108.800 -0.057 0.000 2.141 451 G HA2 -0.327 3.633 3.960 0.000 0.000 0.242 451 G HA3 -0.327 3.633 3.960 0.000 0.000 0.242 451 G C 0.296 175.148 174.900 -0.079 0.000 0.982 451 G CA 0.218 45.276 45.100 -0.071 0.000 0.662 451 G HN 0.291 nan 8.290 nan 0.000 0.527 452 L N 1.284 122.459 121.223 -0.079 0.000 2.483 452 L HA 0.292 4.632 4.340 0.000 0.000 0.276 452 L C -1.397 175.430 176.870 -0.071 0.000 1.213 452 L CA -1.663 53.124 54.840 -0.087 0.000 0.843 452 L CB 0.339 42.342 42.059 -0.093 0.000 1.107 452 L HN -0.067 nan 8.230 nan 0.000 0.487 453 P HA -0.031 nan 4.420 nan 0.000 0.265 453 P C -0.672 176.618 177.300 -0.016 0.000 1.187 453 P CA -0.252 62.823 63.100 -0.042 0.000 0.766 453 P CB 0.360 32.039 31.700 -0.034 0.000 0.820 454 S N 1.609 117.311 115.700 0.003 0.000 2.546 454 S HA -0.003 4.467 4.470 0.000 0.000 0.290 454 S C 0.509 175.139 174.600 0.050 0.000 1.290 454 S CA -0.255 57.960 58.200 0.026 0.000 1.069 454 S CB -1.027 62.203 63.200 0.049 0.000 0.846 454 S HN 0.729 nan 8.310 nan 0.000 0.495 455 C N 2.094 121.420 119.300 0.042 0.000 4.265 455 C HA -0.203 4.257 4.460 0.000 0.000 0.287 455 C C 1.149 176.165 174.990 0.043 0.000 1.451 455 C CA 0.395 59.447 59.018 0.056 0.000 1.966 455 C CB -2.937 24.882 27.740 0.132 0.000 1.302 455 C HN 1.087 nan 8.230 nan 0.000 0.794 456 L N -3.247 117.991 121.223 0.025 0.000 3.843 456 L HA -0.291 4.049 4.340 0.000 0.000 0.411 456 L C 0.977 177.955 176.870 0.180 0.000 1.205 456 L CA 0.597 55.462 54.840 0.041 0.000 0.945 456 L CB -2.100 39.942 42.059 -0.029 0.000 1.929 456 L HN 0.865 nan 8.230 nan 0.000 0.934 457 A N -0.145 122.758 122.820 0.139 0.000 2.477 457 A HA 0.591 4.911 4.320 0.000 0.000 0.246 457 A C 1.367 178.983 177.584 0.054 0.000 1.078 457 A CA 0.581 52.687 52.037 0.115 0.000 0.770 457 A CB 0.931 19.959 19.000 0.047 0.000 1.011 457 A HN 0.540 nan 8.150 nan 0.000 0.494 458 A N 1.765 124.603 122.820 0.029 0.000 2.016 458 A HA 0.177 4.497 4.320 0.000 0.000 0.217 458 A C 1.065 178.607 177.584 -0.070 0.000 1.162 458 A CA 0.980 53.030 52.037 0.022 0.000 0.662 458 A CB -0.075 19.010 19.000 0.142 0.000 0.812 458 A HN 0.798 nan 8.150 nan 0.000 0.450 459 E N -0.256 119.872 120.200 -0.121 0.000 2.504 459 E HA 0.246 4.596 4.350 0.000 0.000 0.235 459 E C -1.316 175.254 176.600 -0.051 0.000 0.827 459 E CA -0.919 55.390 56.400 -0.151 0.000 0.903 459 E CB -0.095 29.420 29.700 -0.307 0.000 1.622 459 E HN 0.078 nan 8.360 nan 0.000 0.392 460 D N 2.545 122.942 120.400 -0.005 0.000 2.472 460 D HA 0.021 4.662 4.640 0.000 0.000 0.248 460 D C -1.550 174.744 176.300 -0.010 0.000 1.174 460 D CA -1.019 52.990 54.000 0.014 0.000 0.883 460 D CB 0.543 41.369 40.800 0.042 0.000 1.149 460 D HN 0.021 nan 8.370 nan 0.000 0.488 461 P HA -0.110 nan 4.420 nan 0.000 0.226 461 P C 1.199 178.514 177.300 0.025 0.000 1.153 461 P CA 0.655 63.763 63.100 0.013 0.000 0.777 461 P CB 0.088 31.825 31.700 0.061 0.000 0.794 462 S N -0.489 115.232 115.700 0.035 0.000 2.419 462 S HA -0.100 4.370 4.470 0.000 0.000 0.235 462 S C 1.416 176.022 174.600 0.011 0.000 1.019 462 S CA 1.031 59.273 58.200 0.071 0.000 0.982 462 S CB -1.178 62.048 63.200 0.043 0.000 0.789 462 S HN 0.169 nan 8.310 nan 0.000 0.490 463 L N 0.771 121.910 121.223 -0.140 0.000 3.267 463 L HA 0.451 4.791 4.340 0.000 0.000 0.289 463 L C 0.133 176.713 176.870 -0.482 0.000 1.260 463 L CA -0.235 54.447 54.840 -0.264 0.000 1.034 463 L CB 0.962 42.958 42.059 -0.105 0.000 1.413 463 L HN 0.241 nan 8.230 nan 0.000 0.594 464 S N -0.574 114.722 115.700 -0.673 0.000 2.689 464 S HA 0.435 4.905 4.470 0.000 0.000 0.274 464 S C -0.924 173.386 174.600 -0.483 0.000 1.176 464 S CA -0.324 57.557 58.200 -0.532 0.000 1.014 464 S CB 0.647 63.722 63.200 -0.208 0.000 1.071 464 S HN 0.215 nan 8.310 nan 0.000 0.478 465 Y N 4.238 124.580 120.300 0.072 0.000 2.734 465 Y HA 0.343 4.893 4.550 0.000 0.000 0.278 465 Y C 1.559 177.534 175.900 0.126 0.000 1.108 465 Y CA -0.599 57.545 58.100 0.073 0.000 1.211 465 Y CB -1.134 37.352 38.460 0.043 0.000 1.182 465 Y HN 0.932 nan 8.280 nan 0.000 0.547 466 H N 0.008 119.127 119.070 0.082 0.000 1.775 466 H HA -0.377 4.179 4.556 0.000 0.000 0.150 466 H C 0.744 176.146 175.328 0.122 0.000 1.123 466 H CA 2.386 58.490 56.048 0.094 0.000 1.756 466 H CB -0.241 29.574 29.762 0.088 0.000 2.108 466 H HN 0.416 nan 8.280 nan 0.000 0.911 467 C N 1.509 120.801 119.300 -0.014 0.000 2.625 467 C HA 0.109 4.569 4.460 0.000 0.000 0.285 467 C C 2.327 177.319 174.990 0.004 0.000 1.279 467 C CA -0.071 58.896 59.018 -0.085 0.000 1.698 467 C CB -0.965 26.668 27.740 -0.178 0.000 1.821 467 C HN 0.532 nan 8.230 nan 0.000 0.600 468 K N 1.765 122.201 120.400 0.060 0.000 2.057 468 K HA -0.115 4.205 4.320 0.000 0.000 0.207 468 K C 2.136 178.745 176.600 0.016 0.000 1.049 468 K CA 1.836 58.148 56.287 0.042 0.000 0.931 468 K CB -0.376 32.166 32.500 0.069 0.000 0.714 468 K HN 0.522 nan 8.250 nan 0.000 0.440 469 G N 1.201 110.017 108.800 0.026 0.000 2.422 469 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 469 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 469 G C 1.472 176.354 174.900 -0.030 0.000 1.146 469 G CA 0.556 45.653 45.100 -0.005 0.000 0.769 469 G HN 0.215 nan 8.290 nan 0.000 0.547 470 L N 0.222 121.433 121.223 -0.019 0.000 2.141 470 L HA -0.030 4.310 4.340 0.000 0.000 0.209 470 L C 2.501 179.368 176.870 -0.006 0.000 1.094 470 L CA 1.025 55.855 54.840 -0.017 0.000 0.763 470 L CB -0.291 41.767 42.059 -0.001 0.000 0.908 470 L HN 0.153 nan 8.230 nan 0.000 0.437 471 D N 0.773 121.171 120.400 -0.003 0.000 2.104 471 D HA -0.194 4.446 4.640 0.000 0.000 0.194 471 D C 2.157 178.481 176.300 0.039 0.000 0.994 471 D CA 1.431 55.440 54.000 0.015 0.000 0.830 471 D CB 0.024 40.819 40.800 -0.008 0.000 0.959 471 D HN 0.239 nan 8.370 nan 0.000 0.452 472 I N 0.459 121.020 120.570 -0.015 0.000 2.179 472 I HA -0.260 3.910 4.170 0.000 0.000 0.242 472 I C 2.529 178.554 176.117 -0.153 0.000 1.088 472 I CA 1.148 62.414 61.300 -0.056 0.000 1.357 472 I CB -0.354 37.607 38.000 -0.065 0.000 1.051 472 I HN 0.008 nan 8.210 nan 0.000 0.409 473 A N 0.773 123.463 122.820 -0.218 0.000 1.908 473 A HA -0.215 4.105 4.320 0.000 0.000 0.218 473 A C 2.541 179.675 177.584 -0.750 0.000 1.181 473 A CA 2.020 53.741 52.037 -0.526 0.000 0.627 473 A CB -0.912 17.834 19.000 -0.424 0.000 0.818 473 A HN 0.452 nan 8.150 nan 0.000 0.445 474 A N -0.197 122.481 122.820 -0.237 0.000 1.902 474 A HA 0.136 4.456 4.320 0.000 0.000 0.217 474 A C 2.509 180.058 177.584 -0.058 0.000 1.181 474 A CA 2.158 54.224 52.037 0.048 0.000 0.623 474 A CB -1.021 18.152 19.000 0.287 0.000 0.818 474 A HN 1.091 nan 8.150 nan 0.000 0.443 475 A N -0.056 122.688 122.820 -0.125 0.000 1.883 475 A HA 0.118 4.438 4.320 0.000 0.000 0.217 475 A C 2.536 179.903 177.584 -0.363 0.000 1.186 475 A CA 2.272 54.042 52.037 -0.446 0.000 0.624 475 A CB -1.113 17.768 19.000 -0.199 0.000 0.822 475 A HN 1.102 nan 8.150 nan 0.000 0.444 476 A N -1.134 121.499 122.820 -0.312 0.000 1.908 476 A HA -0.088 4.232 4.320 0.000 0.000 0.218 476 A C 2.091 179.592 177.584 -0.138 0.000 1.181 476 A CA 1.730 53.615 52.037 -0.253 0.000 0.627 476 A CB -0.852 17.956 19.000 -0.321 0.000 0.818 476 A HN 0.575 nan 8.150 nan 0.000 0.445 477 Y N 0.758 121.015 120.300 -0.073 0.000 2.181 477 Y HA -0.142 4.409 4.550 0.000 0.000 0.288 477 Y C 2.954 178.819 175.900 -0.059 0.000 1.146 477 Y CA 1.274 59.350 58.100 -0.041 0.000 1.164 477 Y CB -1.582 36.878 38.460 0.001 0.000 0.982 477 Y HN 0.276 nan 8.280 nan 0.000 0.515 478 T N -0.662 113.895 114.554 0.005 0.000 2.708 478 T HA -0.178 4.172 4.350 0.000 0.000 0.266 478 T C 2.231 176.883 174.700 -0.080 0.000 1.037 478 T CA 1.697 63.745 62.100 -0.086 0.000 1.146 478 T CB -0.501 68.148 68.868 -0.365 0.000 0.865 478 T HN 0.282 nan 8.240 nan 0.000 0.435 479 S N 0.947 116.571 115.700 -0.128 0.000 2.359 479 S HA -0.175 4.295 4.470 0.000 0.000 0.224 479 S C 2.067 176.670 174.600 0.004 0.000 1.035 479 S CA 1.458 59.616 58.200 -0.071 0.000 1.018 479 S CB -0.363 62.781 63.200 -0.094 0.000 0.876 479 S HN 0.625 nan 8.310 nan 0.000 0.448 480 E N 0.857 121.069 120.200 0.020 0.000 2.085 480 E HA -0.167 4.183 4.350 0.000 0.000 0.194 480 E C 1.965 178.622 176.600 0.095 0.000 0.994 480 E CA 1.053 57.490 56.400 0.061 0.000 0.801 480 E CB -0.208 29.537 29.700 0.075 0.000 0.743 480 E HN 0.430 nan 8.360 nan 0.000 0.453 481 L N -0.089 121.182 121.223 0.080 0.000 2.079 481 L HA -0.133 4.207 4.340 0.000 0.000 0.210 481 L C 2.584 179.497 176.870 0.071 0.000 1.081 481 L CA 1.210 56.096 54.840 0.076 0.000 0.752 481 L CB -0.637 41.469 42.059 0.077 0.000 0.896 481 L HN 0.313 nan 8.230 nan 0.000 0.433 482 G N -1.297 107.544 108.800 0.068 0.000 2.421 482 G HA2 -0.319 3.641 3.960 0.000 0.000 0.216 482 G HA3 -0.319 3.641 3.960 0.000 0.000 0.216 482 G C 1.551 176.495 174.900 0.074 0.000 1.171 482 G CA 0.848 45.986 45.100 0.064 0.000 0.775 482 G HN 0.449 nan 8.290 nan 0.000 0.543 483 H N 0.630 119.705 119.070 0.007 0.000 2.357 483 H HA 0.085 4.641 4.556 0.000 0.000 0.301 483 H C 2.609 177.942 175.328 0.008 0.000 1.082 483 H CA 1.155 57.206 56.048 0.006 0.000 1.342 483 H CB -0.181 29.580 29.762 -0.001 0.000 1.389 483 H HN 0.285 nan 8.280 nan 0.000 0.511 484 L N 0.629 121.885 121.223 0.055 0.000 2.127 484 L HA -0.154 4.186 4.340 0.000 0.000 0.211 484 L C 2.869 179.702 176.870 -0.062 0.000 1.089 484 L CA 1.071 55.907 54.840 -0.005 0.000 0.757 484 L CB -0.410 41.680 42.059 0.053 0.000 0.899 484 L HN 0.310 nan 8.230 nan 0.000 0.434 485 A N -0.917 121.880 122.820 -0.037 0.000 2.209 485 A HA -0.037 4.283 4.320 0.000 0.000 0.212 485 A C 0.789 178.346 177.584 -0.045 0.000 1.158 485 A CA 0.178 52.198 52.037 -0.028 0.000 0.742 485 A CB -0.583 18.416 19.000 -0.002 0.000 0.790 485 A HN 0.366 nan 8.150 nan 0.000 0.472 486 N N 1.635 120.283 118.700 -0.087 0.000 2.441 486 N HA 0.170 4.910 4.740 0.000 0.000 0.251 486 N C -2.672 172.818 175.510 -0.033 0.000 1.242 486 N CA -0.918 52.093 53.050 -0.065 0.000 0.898 486 N CB 0.159 38.583 38.487 -0.104 0.000 1.100 486 N HN 0.232 nan 8.380 nan 0.000 0.443 487 P HA 0.034 nan 4.420 nan 0.000 0.271 487 P C 0.640 177.993 177.300 0.090 0.000 1.216 487 P CA -0.190 62.923 63.100 0.022 0.000 0.776 487 P CB 0.975 32.677 31.700 0.003 0.000 0.881 488 V N 2.516 122.475 119.914 0.075 0.000 2.649 488 V HA -0.124 3.996 4.120 0.000 0.000 0.248 488 V C 2.505 178.687 176.094 0.146 0.000 1.054 488 V CA 2.440 64.814 62.300 0.124 0.000 1.073 488 V CB -1.438 30.413 31.823 0.047 0.000 0.699 488 V HN 0.681 nan 8.190 nan 0.000 0.463 489 T N -1.654 112.938 114.554 0.062 0.000 3.051 489 T HA -0.133 4.217 4.350 0.000 0.000 0.269 489 T C 1.519 176.207 174.700 -0.020 0.000 1.127 489 T CA 1.390 63.505 62.100 0.025 0.000 1.107 489 T CB -0.626 68.246 68.868 0.007 0.000 0.898 489 T HN 0.592 nan 8.240 nan 0.000 0.517 490 T N -1.219 113.286 114.554 -0.081 0.000 3.169 490 T HA 0.085 4.435 4.350 0.000 0.000 0.250 490 T C 0.835 175.270 174.700 -0.443 0.000 1.111 490 T CA -0.042 61.915 62.100 -0.239 0.000 1.010 490 T CB -0.433 68.250 68.868 -0.309 0.000 0.984 490 T HN 0.508 nan 8.240 nan 0.000 0.537 491 H N 0.647 119.714 119.070 -0.006 0.000 2.469 491 H HA 0.379 4.935 4.556 0.000 0.000 0.286 491 H C 0.034 175.363 175.328 0.002 0.000 1.106 491 H CA -0.452 55.594 56.048 -0.003 0.000 1.055 491 H CB 0.299 30.058 29.762 -0.005 0.000 1.618 491 H HN 0.247 nan 8.280 nan 0.000 0.559 492 V N 2.918 122.856 119.914 0.041 0.000 2.599 492 V HA -0.054 4.066 4.120 0.000 0.000 0.300 492 V C 0.581 176.696 176.094 0.035 0.000 1.034 492 V CA 0.274 62.597 62.300 0.038 0.000 1.115 492 V CB 0.971 32.805 31.823 0.017 0.000 0.934 492 V HN 0.310 nan 8.190 nan 0.000 0.485 493 Q N 6.467 126.291 119.800 0.040 0.000 2.257 493 Q HA 0.395 4.735 4.340 0.000 0.000 0.262 493 Q C -2.304 173.713 176.000 0.028 0.000 0.997 493 Q CA -2.297 53.526 55.803 0.034 0.000 0.873 493 Q CB 1.465 30.225 28.738 0.037 0.000 1.312 493 Q HN 0.459 nan 8.270 nan 0.000 0.450 494 P HA 0.143 nan 4.420 nan 0.000 0.237 494 P C -0.782 176.531 177.300 0.021 0.000 1.788 494 P CA 0.078 63.190 63.100 0.021 0.000 1.061 494 P CB -0.391 31.319 31.700 0.017 0.000 1.967 495 A N 1.871 124.706 122.820 0.025 0.000 2.407 495 A HA 0.293 4.613 4.320 0.000 0.000 0.248 495 A C 0.662 178.258 177.584 0.019 0.000 1.082 495 A CA -0.022 52.029 52.037 0.023 0.000 0.785 495 A CB -0.069 18.947 19.000 0.027 0.000 1.020 495 A HN 0.572 nan 8.150 nan 0.000 0.489 499 N N 0.933 119.643 118.700 0.017 0.000 2.166 499 N HA -0.137 4.603 4.740 0.000 0.000 0.186 499 N C 1.036 176.570 175.510 0.039 0.000 1.019 499 N CA 1.902 54.966 53.050 0.024 0.000 0.856 499 N CB -0.105 38.390 38.487 0.014 0.000 0.993 499 N HN 0.627 nan 8.380 nan 0.000 0.426 500 Q N -0.518 119.302 119.800 0.034 0.000 2.526 500 Q HA 0.347 4.687 4.340 0.000 0.000 0.353 500 Q C 0.612 176.638 176.000 0.044 0.000 0.977 500 Q CA -0.201 55.630 55.803 0.047 0.000 1.027 500 Q CB 0.709 29.468 28.738 0.036 0.000 1.272 500 Q HN 0.376 nan 8.270 nan 0.000 0.420 501 A N 0.660 123.504 122.820 0.040 0.000 2.015 501 A HA -0.022 4.298 4.320 0.000 0.000 0.219 501 A C 1.172 178.775 177.584 0.032 0.000 1.163 501 A CA 0.771 52.827 52.037 0.031 0.000 0.646 501 A CB 0.021 19.037 19.000 0.025 0.000 0.806 501 A HN 0.322 nan 8.150 nan 0.000 0.448 502 V N -0.531 119.408 119.914 0.041 0.000 2.459 502 V HA 0.698 4.818 4.120 0.000 0.000 0.295 502 V C -1.076 175.054 176.094 0.059 0.000 1.029 502 V CA -0.712 61.612 62.300 0.041 0.000 0.874 502 V CB 0.982 32.825 31.823 0.034 0.000 0.985 502 V HN 0.597 nan 8.190 nan 0.000 0.438 503 N N 1.588 120.319 118.700 0.053 0.000 2.308 503 N HA 0.436 5.176 4.740 0.000 0.000 0.283 503 N C 0.340 175.880 175.510 0.051 0.000 1.105 503 N CA -0.174 52.914 53.050 0.063 0.000 0.840 503 N CB 1.964 40.486 38.487 0.058 0.000 1.633 503 N HN 0.600 nan 8.380 nan 0.000 0.476 504 S N 1.609 117.342 115.700 0.055 0.000 2.446 504 S HA 0.023 4.493 4.470 0.000 0.000 0.225 504 S C 0.916 175.537 174.600 0.035 0.000 1.016 504 S CA 0.212 58.437 58.200 0.041 0.000 0.943 504 S CB -0.698 62.527 63.200 0.042 0.000 0.786 504 S HN 0.652 nan 8.310 nan 0.000 0.508 505 L N -0.271 120.975 121.223 0.038 0.000 4.001 505 L HA -0.295 4.045 4.340 0.000 0.000 0.413 505 L C 1.792 178.678 176.870 0.025 0.000 1.185 505 L CA 0.144 55.004 54.840 0.033 0.000 0.963 505 L CB -2.369 39.714 42.059 0.040 0.000 1.976 505 L HN 0.498 nan 8.230 nan 0.000 0.939 506 A N -0.038 122.797 122.820 0.025 0.000 1.908 506 A HA -0.183 4.137 4.320 0.000 0.000 0.218 506 A C 1.920 179.511 177.584 0.011 0.000 1.181 506 A CA 2.043 54.091 52.037 0.017 0.000 0.627 506 A CB -0.156 18.855 19.000 0.019 0.000 0.818 506 A HN 0.434 nan 8.150 nan 0.000 0.445 507 L N -0.053 121.176 121.223 0.011 0.000 2.056 507 L HA -0.070 4.270 4.340 0.000 0.000 0.207 507 L C 2.227 179.096 176.870 -0.001 0.000 1.078 507 L CA 1.619 56.460 54.840 0.002 0.000 0.749 507 L CB -0.419 41.640 42.059 0.000 0.000 0.901 507 L HN 0.447 nan 8.230 nan 0.000 0.433 508 I N -1.503 119.069 120.570 0.003 0.000 2.226 508 I HA -0.310 3.860 4.170 0.000 0.000 0.245 508 I C 2.668 178.785 176.117 0.000 0.000 1.100 508 I CA 1.481 62.781 61.300 -0.000 0.000 1.374 508 I CB -0.645 37.357 38.000 0.003 0.000 1.057 508 I HN 0.286 nan 8.210 nan 0.000 0.413 509 S N 0.516 116.219 115.700 0.005 0.000 2.359 509 S HA -0.217 4.253 4.470 0.000 0.000 0.224 509 S C 2.258 176.858 174.600 -0.001 0.000 1.035 509 S CA 1.531 59.733 58.200 0.003 0.000 1.018 509 S CB -0.298 62.906 63.200 0.007 0.000 0.876 509 S HN 0.483 nan 8.310 nan 0.000 0.448 510 A N 1.577 124.396 122.820 -0.002 0.000 1.908 510 A HA -0.145 4.175 4.320 0.000 0.000 0.218 510 A C 2.201 179.781 177.584 -0.006 0.000 1.181 510 A CA 1.705 53.739 52.037 -0.005 0.000 0.627 510 A CB -0.664 18.332 19.000 -0.007 0.000 0.818 510 A HN 0.624 nan 8.150 nan 0.000 0.445 511 R N -1.115 119.381 120.500 -0.007 0.000 2.091 511 R HA -0.098 4.242 4.340 0.000 0.000 0.238 511 R C 2.392 178.690 176.300 -0.002 0.000 1.136 511 R CA 1.367 57.462 56.100 -0.007 0.000 0.959 511 R CB -0.263 30.030 30.300 -0.011 0.000 0.856 511 R HN 0.329 nan 8.270 nan 0.000 0.437 512 R N -0.096 120.403 120.500 -0.001 0.000 2.081 512 R HA -0.039 4.301 4.340 0.000 0.000 0.235 512 R C 2.171 178.475 176.300 0.006 0.000 1.131 512 R CA 1.546 57.648 56.100 0.003 0.000 0.960 512 R CB -0.999 29.299 30.300 -0.003 0.000 0.856 512 R HN 0.253 nan 8.270 nan 0.000 0.436 513 T N 0.684 115.239 114.554 0.002 0.000 2.821 513 T HA -0.073 4.277 4.350 0.000 0.000 0.267 513 T C 1.742 176.446 174.700 0.007 0.000 1.046 513 T CA 1.741 63.842 62.100 0.003 0.000 1.139 513 T CB -0.200 68.665 68.868 -0.004 0.000 0.871 513 T HN 0.300 nan 8.240 nan 0.000 0.454 514 T N 1.662 116.219 114.554 0.005 0.000 2.746 514 T HA -0.120 4.230 4.350 0.000 0.000 0.267 514 T C 1.908 176.618 174.700 0.016 0.000 1.039 514 T CA 1.410 63.514 62.100 0.007 0.000 1.142 514 T CB -0.225 68.643 68.868 0.001 0.000 0.866 514 T HN 0.550 nan 8.240 nan 0.000 0.444 515 E N 0.729 120.939 120.200 0.017 0.000 2.077 515 E HA -0.122 4.228 4.350 0.000 0.000 0.193 515 E C 2.305 178.924 176.600 0.032 0.000 0.989 515 E CA 1.183 57.598 56.400 0.026 0.000 0.800 515 E CB -0.076 29.639 29.700 0.025 0.000 0.746 515 E HN 0.326 nan 8.360 nan 0.000 0.452 516 S N 0.860 116.578 115.700 0.030 0.000 2.382 516 S HA -0.141 4.329 4.470 0.000 0.000 0.228 516 S C 1.651 176.272 174.600 0.035 0.000 1.027 516 S CA 1.025 59.246 58.200 0.035 0.000 0.991 516 S CB -0.349 62.869 63.200 0.031 0.000 0.823 516 S HN 0.336 nan 8.310 nan 0.000 0.469 517 N N 1.471 120.189 118.700 0.029 0.000 2.104 517 N HA -0.127 4.613 4.740 0.000 0.000 0.190 517 N C 1.489 177.025 175.510 0.042 0.000 1.024 517 N CA 1.331 54.399 53.050 0.031 0.000 0.853 517 N CB -0.649 37.852 38.487 0.023 0.000 1.008 517 N HN 0.371 nan 8.380 nan 0.000 0.424 518 D N 0.355 120.785 120.400 0.050 0.000 2.097 518 D HA -0.070 4.570 4.640 0.000 0.000 0.195 518 D C 1.933 178.279 176.300 0.077 0.000 0.989 518 D CA 0.613 54.669 54.000 0.094 0.000 0.827 518 D CB -0.026 40.829 40.800 0.092 0.000 0.966 518 D HN -0.044 nan 8.370 nan 0.000 0.456 519 V N 0.530 120.455 119.914 0.019 0.000 2.343 519 V HA -0.185 3.935 4.120 0.000 0.000 0.247 519 V C 2.513 178.568 176.094 -0.065 0.000 1.051 519 V CA 1.335 63.603 62.300 -0.053 0.000 1.036 519 V CB -0.534 31.296 31.823 0.011 0.000 0.654 519 V HN 0.259 nan 8.190 nan 0.000 0.451 520 L N 0.128 121.362 121.223 0.018 0.000 2.131 520 L HA -0.095 4.245 4.340 0.000 0.000 0.210 520 L C 2.472 179.373 176.870 0.051 0.000 1.092 520 L CA 1.895 56.764 54.840 0.049 0.000 0.759 520 L CB -0.675 41.426 42.059 0.069 0.000 0.903 520 L HN 0.273 nan 8.230 nan 0.000 0.435 521 S N -0.422 115.316 115.700 0.063 0.000 2.368 521 S HA -0.162 4.308 4.470 0.000 0.000 0.225 521 S C 1.917 176.613 174.600 0.161 0.000 1.030 521 S CA 1.667 59.936 58.200 0.114 0.000 0.999 521 S CB -0.440 62.822 63.200 0.103 0.000 0.844 521 S HN 0.467 nan 8.310 nan 0.000 0.459 522 L N 0.595 121.821 121.223 0.005 0.000 2.046 522 L HA -0.103 4.237 4.340 0.000 0.000 0.208 522 L C 2.399 179.113 176.870 -0.259 0.000 1.077 522 L CA 0.776 55.428 54.840 -0.312 0.000 0.747 522 L CB -0.500 40.975 42.059 -0.973 0.000 0.896 522 L HN 0.281 nan 8.230 nan 0.000 0.432 523 L N -0.194 120.923 121.223 -0.177 0.000 2.027 523 L HA -0.174 4.166 4.340 0.000 0.000 0.206 523 L C 2.267 179.270 176.870 0.222 0.000 1.074 523 L CA 1.734 56.678 54.840 0.174 0.000 0.745 523 L CB -0.402 41.799 42.059 0.236 0.000 0.898 523 L HN 0.097 nan 8.230 nan 0.000 0.433 524 L N -0.672 120.655 121.223 0.173 0.000 2.141 524 L HA -0.114 4.226 4.340 0.000 0.000 0.209 524 L C 2.655 179.635 176.870 0.182 0.000 1.094 524 L CA 0.923 55.875 54.840 0.186 0.000 0.763 524 L CB -1.029 41.107 42.059 0.129 0.000 0.908 524 L HN 0.384 nan 8.230 nan 0.000 0.437 525 A N -0.012 122.913 122.820 0.175 0.000 1.902 525 A HA -0.192 4.128 4.320 0.000 0.000 0.217 525 A C 2.383 180.102 177.584 0.224 0.000 1.181 525 A CA 2.328 54.481 52.037 0.193 0.000 0.623 525 A CB -0.852 18.275 19.000 0.212 0.000 0.818 525 A HN 0.348 nan 8.150 nan 0.000 0.443 526 T N -1.497 113.194 114.554 0.227 0.000 2.708 526 T HA -0.178 4.172 4.350 0.000 0.000 0.266 526 T C 1.830 176.716 174.700 0.309 0.000 1.037 526 T CA 1.647 63.898 62.100 0.252 0.000 1.146 526 T CB -0.475 68.565 68.868 0.287 0.000 0.865 526 T HN 0.771 nan 8.240 nan 0.000 0.435 527 H N -0.041 119.131 119.070 0.170 0.000 2.353 527 H HA -0.054 4.502 4.556 0.000 0.000 0.300 527 H C 2.316 177.714 175.328 0.117 0.000 1.090 527 H CA 0.939 57.064 56.048 0.128 0.000 1.327 527 H CB -0.094 29.735 29.762 0.112 0.000 1.383 527 H HN 0.136 nan 8.280 nan 0.000 0.508 528 L N 0.455 121.798 121.223 0.200 0.000 2.046 528 L HA -0.192 4.148 4.340 0.000 0.000 0.208 528 L C 2.221 179.173 176.870 0.136 0.000 1.077 528 L CA 1.749 56.648 54.840 0.098 0.000 0.747 528 L CB -1.257 40.860 42.059 0.097 0.000 0.896 528 L HN 0.355 nan 8.230 nan 0.000 0.432 529 Y N -0.388 119.965 120.300 0.089 0.000 2.081 529 Y HA -0.375 4.176 4.550 0.000 0.000 0.280 529 Y C 2.663 178.598 175.900 0.059 0.000 1.163 529 Y CA 2.363 60.506 58.100 0.072 0.000 1.135 529 Y CB -0.756 37.753 38.460 0.081 0.000 0.970 529 Y HN 0.317 nan 8.280 nan 0.000 0.498 530 C N -1.372 118.052 119.300 0.206 0.000 2.446 530 C HA -0.134 4.326 4.460 0.000 0.000 0.277 530 C C 2.879 177.868 174.990 -0.002 0.000 1.275 530 C CA 1.027 60.090 59.018 0.077 0.000 1.727 530 C CB -1.249 26.567 27.740 0.127 0.000 2.010 530 C HN 0.574 nan 8.230 nan 0.000 0.486 531 V N 0.797 120.754 119.914 0.072 0.000 2.515 531 V HA -0.144 3.976 4.120 0.000 0.000 0.250 531 V C 2.146 178.224 176.094 -0.025 0.000 1.058 531 V CA 1.794 64.113 62.300 0.031 0.000 1.064 531 V CB -0.342 31.508 31.823 0.045 0.000 0.675 531 V HN 0.584 nan 8.190 nan 0.000 0.461 532 L N -0.546 120.652 121.223 -0.042 0.000 2.056 532 L HA -0.176 4.164 4.340 0.000 0.000 0.207 532 L C 2.571 179.416 176.870 -0.042 0.000 1.078 532 L CA 1.869 56.695 54.840 -0.023 0.000 0.749 532 L CB -0.661 41.321 42.059 -0.129 0.000 0.901 532 L HN 0.374 nan 8.230 nan 0.000 0.433 533 Q N 0.550 120.267 119.800 -0.138 0.000 2.061 533 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 533 Q C 2.227 178.181 176.000 -0.076 0.000 0.984 533 Q CA 2.233 57.984 55.803 -0.086 0.000 0.846 533 Q CB -0.267 28.420 28.738 -0.085 0.000 0.902 533 Q HN 0.427 nan 8.270 nan 0.000 0.421 534 A N 0.074 122.836 122.820 -0.096 0.000 1.940 534 A HA -0.166 4.154 4.320 0.000 0.000 0.219 534 A C 2.146 179.605 177.584 -0.209 0.000 1.176 534 A CA 1.572 53.527 52.037 -0.136 0.000 0.631 534 A CB -0.762 18.160 19.000 -0.129 0.000 0.814 534 A HN 0.513 nan 8.150 nan 0.000 0.446 535 I N -0.263 120.195 120.570 -0.187 0.000 2.226 535 I HA -0.225 3.945 4.170 0.000 0.000 0.245 535 I C 1.856 177.884 176.117 -0.148 0.000 1.100 535 I CA 1.428 62.556 61.300 -0.287 0.000 1.374 535 I CB -0.316 37.617 38.000 -0.113 0.000 1.057 535 I HN 0.259 nan 8.210 nan 0.000 0.413 536 D N 0.623 121.008 120.400 -0.024 0.000 2.117 536 D HA -0.127 4.513 4.640 0.000 0.000 0.197 536 D C 2.337 178.476 176.300 -0.267 0.000 0.987 536 D CA 1.258 55.228 54.000 -0.051 0.000 0.829 536 D CB -0.161 40.628 40.800 -0.018 0.000 0.961 536 D HN 0.301 nan 8.370 nan 0.000 0.460 537 L N 0.195 121.267 121.223 -0.251 0.000 2.093 537 L HA -0.106 4.234 4.340 0.000 0.000 0.208 537 L C 2.521 179.248 176.870 -0.238 0.000 1.085 537 L CA 0.627 55.316 54.840 -0.253 0.000 0.755 537 L CB -0.190 41.765 42.059 -0.173 0.000 0.904 537 L HN -0.075 nan 8.230 nan 0.000 0.435 538 R N 0.710 121.036 120.500 -0.290 0.000 2.092 538 R HA -0.098 4.242 4.340 0.000 0.000 0.231 538 R C 2.227 178.280 176.300 -0.411 0.000 1.119 538 R CA 1.534 57.389 56.100 -0.408 0.000 0.970 538 R CB -0.523 29.391 30.300 -0.643 0.000 0.864 538 R HN 0.306 nan 8.270 nan 0.000 0.440 539 A N 0.281 123.007 122.820 -0.157 0.000 1.902 539 A HA -0.097 4.223 4.320 0.000 0.000 0.217 539 A C 2.238 179.856 177.584 0.057 0.000 1.181 539 A CA 1.544 53.606 52.037 0.041 0.000 0.623 539 A CB -0.557 18.613 19.000 0.284 0.000 0.818 539 A HN 0.359 nan 8.150 nan 0.000 0.443 540 I N -0.599 119.939 120.570 -0.054 0.000 2.226 540 I HA -0.263 3.907 4.170 0.000 0.000 0.245 540 I C 2.565 178.730 176.117 0.081 0.000 1.100 540 I CA 1.739 63.024 61.300 -0.026 0.000 1.374 540 I CB -0.274 37.602 38.000 -0.208 0.000 1.057 540 I HN 0.534 nan 8.210 nan 0.000 0.413 541 E N 0.892 121.107 120.200 0.025 0.000 2.085 541 E HA -0.239 4.111 4.350 0.000 0.000 0.194 541 E C 2.210 179.030 176.600 0.366 0.000 0.994 541 E CA 1.526 58.013 56.400 0.144 0.000 0.801 541 E CB -0.001 29.739 29.700 0.067 0.000 0.743 541 E HN 0.319 nan 8.360 nan 0.000 0.453 542 F N 1.494 121.458 119.950 0.023 0.000 2.186 542 F HA -0.078 4.449 4.527 0.000 0.000 0.299 542 F C 2.434 178.289 175.800 0.091 0.000 1.090 542 F CA 0.852 58.821 58.000 -0.052 0.000 1.307 542 F CB -0.650 38.049 39.000 -0.502 0.000 1.019 542 F HN 0.050 nan 8.300 nan 0.000 0.489 543 E N -0.325 120.087 120.200 0.353 0.000 2.077 543 E HA -0.227 4.123 4.350 0.000 0.000 0.193 543 E C 2.231 178.983 176.600 0.254 0.000 0.989 543 E CA 0.885 57.460 56.400 0.291 0.000 0.800 543 E CB -1.017 28.840 29.700 0.262 0.000 0.746 543 E HN 0.382 nan 8.360 nan 0.000 0.452 544 F N 2.303 122.336 119.950 0.138 0.000 2.091 544 F HA -0.238 4.289 4.527 0.000 0.000 0.299 544 F C 2.139 178.035 175.800 0.161 0.000 1.103 544 F CA 1.786 59.855 58.000 0.115 0.000 1.228 544 F CB -0.006 39.046 39.000 0.087 0.000 0.984 544 F HN -0.108 nan 8.300 nan 0.000 0.477 545 K N 0.182 120.755 120.400 0.288 0.000 2.103 545 K HA -0.214 4.106 4.320 0.000 0.000 0.207 545 K C 2.054 178.678 176.600 0.040 0.000 1.048 545 K CA 1.752 58.144 56.287 0.175 0.000 0.930 545 K CB -0.221 32.404 32.500 0.207 0.000 0.716 545 K HN 0.269 nan 8.250 nan 0.000 0.444 546 K N 0.738 121.171 120.400 0.054 0.000 2.063 546 K HA -0.198 4.122 4.320 0.000 0.000 0.208 546 K C 2.167 178.756 176.600 -0.019 0.000 1.048 546 K CA 1.563 57.865 56.287 0.025 0.000 0.928 546 K CB 0.051 32.592 32.500 0.068 0.000 0.713 546 K HN 0.226 nan 8.250 nan 0.000 0.442 547 Q N -1.253 118.514 119.800 -0.055 0.000 2.297 547 Q HA -0.018 4.322 4.340 0.000 0.000 0.203 547 Q C 1.722 177.650 176.000 -0.120 0.000 0.931 547 Q CA 0.489 56.242 55.803 -0.083 0.000 0.885 547 Q CB 0.136 28.826 28.738 -0.080 0.000 0.991 547 Q HN 0.205 nan 8.270 nan 0.000 0.498 548 F N 0.974 120.658 119.950 -0.442 0.000 2.293 548 F HA 0.059 4.586 4.527 0.000 0.000 0.297 548 F C 2.018 177.706 175.800 -0.186 0.000 1.089 548 F CA 1.155 58.879 58.000 -0.460 0.000 1.377 548 F CB -0.485 37.973 39.000 -0.905 0.000 1.051 548 F HN 0.012 nan 8.300 nan 0.000 0.511 549 G N 1.041 109.757 108.800 -0.141 0.000 2.491 549 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 549 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 549 G C -0.629 174.167 174.900 -0.174 0.000 1.180 549 G CA 1.001 46.019 45.100 -0.136 0.000 0.774 549 G HN 0.273 nan 8.290 nan 0.000 0.562 550 P HA 0.038 nan 4.420 nan 0.000 0.220 550 P C 2.024 179.226 177.300 -0.163 0.000 1.148 550 P CA 1.661 64.690 63.100 -0.119 0.000 0.803 550 P CB -0.116 31.535 31.700 -0.081 0.000 0.782 551 A N -0.477 122.187 122.820 -0.260 0.000 1.898 551 A HA -0.149 4.171 4.320 0.000 0.000 0.216 551 A C 2.196 179.570 177.584 -0.350 0.000 1.181 551 A CA 1.227 53.085 52.037 -0.297 0.000 0.620 551 A CB -1.545 17.263 19.000 -0.320 0.000 0.819 551 A HN 0.104 nan 8.150 nan 0.000 0.442 552 I N -0.419 119.846 120.570 -0.509 0.000 2.163 552 I HA -0.240 3.930 4.170 0.000 0.000 0.243 552 I C 2.354 178.448 176.117 -0.038 0.000 1.085 552 I CA 1.303 62.444 61.300 -0.265 0.000 1.347 552 I CB -0.339 37.529 38.000 -0.219 0.000 1.044 552 I HN 0.160 nan 8.210 nan 0.000 0.408 553 V N 0.152 120.025 119.914 -0.068 0.000 2.343 553 V HA -0.258 3.863 4.120 0.000 0.000 0.247 553 V C 2.487 178.580 176.094 -0.001 0.000 1.051 553 V CA 2.214 64.507 62.300 -0.011 0.000 1.036 553 V CB -0.559 31.246 31.823 -0.029 0.000 0.654 553 V HN 0.387 nan 8.190 nan 0.000 0.451 554 S N 0.027 115.707 115.700 -0.033 0.000 2.383 554 S HA -0.116 4.354 4.470 0.000 0.000 0.227 554 S C 1.852 176.459 174.600 0.013 0.000 1.026 554 S CA 1.240 59.427 58.200 -0.021 0.000 0.981 554 S CB -0.314 62.860 63.200 -0.042 0.000 0.818 554 S HN 0.349 nan 8.310 nan 0.000 0.472 555 L N 1.255 122.500 121.223 0.036 0.000 2.109 555 L HA 0.093 4.433 4.340 0.000 0.000 0.207 555 L C 2.054 179.054 176.870 0.216 0.000 1.086 555 L CA 1.177 56.105 54.840 0.146 0.000 0.760 555 L CB -0.565 41.520 42.059 0.043 0.000 0.910 555 L HN 0.283 nan 8.230 nan 0.000 0.437 556 I N -0.562 120.114 120.570 0.177 0.000 2.226 556 I HA -0.312 3.858 4.170 0.000 0.000 0.245 556 I C 1.977 178.089 176.117 -0.009 0.000 1.100 556 I CA 1.243 62.560 61.300 0.028 0.000 1.374 556 I CB -0.319 37.764 38.000 0.138 0.000 1.057 556 I HN 0.285 nan 8.210 nan 0.000 0.413 557 D N 0.116 120.532 120.400 0.026 0.000 2.117 557 D HA -0.227 4.413 4.640 0.000 0.000 0.198 557 D C 2.037 178.328 176.300 -0.014 0.000 0.982 557 D CA 1.082 55.091 54.000 0.015 0.000 0.828 557 D CB -0.278 40.526 40.800 0.007 0.000 0.967 557 D HN 0.410 nan 8.370 nan 0.000 0.464 558 Q N -0.241 119.538 119.800 -0.034 0.000 2.046 558 Q HA -0.165 4.175 4.340 0.000 0.000 0.200 558 Q C 1.847 177.728 176.000 -0.199 0.000 0.975 558 Q CA 1.227 56.964 55.803 -0.111 0.000 0.836 558 Q CB 0.098 28.758 28.738 -0.130 0.000 0.896 558 Q HN 0.478 nan 8.270 nan 0.000 0.428 559 H N -1.761 117.183 119.070 -0.210 0.000 2.431 559 H HA -0.014 4.542 4.556 0.000 0.000 0.295 559 H C 0.982 176.215 175.328 -0.158 0.000 1.038 559 H CA 0.933 56.798 56.048 -0.304 0.000 1.360 559 H CB 0.427 29.823 29.762 -0.611 0.000 1.433 559 H HN 0.302 nan 8.280 nan 0.000 0.536 560 F N -0.569 119.416 119.950 0.059 0.000 2.706 560 F HA 0.286 4.813 4.527 0.000 0.000 0.308 560 F C 2.329 178.112 175.800 -0.028 0.000 1.095 560 F CA -0.033 57.950 58.000 -0.029 0.000 1.244 560 F CB -0.569 38.353 39.000 -0.131 0.000 1.063 560 F HN 0.038 nan 8.300 nan 0.000 0.582 561 G N 0.042 108.919 108.800 0.127 0.000 2.491 561 G HA2 -0.344 3.616 3.960 0.000 0.000 0.218 561 G HA3 -0.344 3.616 3.960 0.000 0.000 0.218 561 G C 2.006 176.939 174.900 0.054 0.000 1.180 561 G CA 1.540 46.681 45.100 0.069 0.000 0.774 561 G HN 0.379 nan 8.290 nan 0.000 0.562 562 S N 0.800 116.530 115.700 0.050 0.000 2.370 562 S HA 0.197 4.668 4.470 0.000 0.000 0.226 562 S C 1.762 176.384 174.600 0.036 0.000 1.033 562 S CA 1.193 59.415 58.200 0.035 0.000 1.011 562 S CB -0.574 62.644 63.200 0.031 0.000 0.852 562 S HN 0.741 nan 8.310 nan 0.000 0.457 566 G N 1.421 110.220 108.800 -0.002 0.000 2.184 566 G HA2 -0.146 3.814 3.960 0.000 0.000 0.264 566 G HA3 -0.146 3.814 3.960 0.000 0.000 0.264 566 G C 0.342 175.237 174.900 -0.007 0.000 0.975 566 G CA 0.883 45.980 45.100 -0.004 0.000 0.642 566 G HN 2.154 nan 8.290 nan 0.000 0.536 567 S N -1.080 114.615 115.700 -0.009 0.000 2.747 567 S HA 0.668 5.138 4.470 0.000 0.000 0.300 567 S C 0.289 174.882 174.600 -0.012 0.000 1.121 567 S CA 0.073 58.265 58.200 -0.013 0.000 0.995 567 S CB 1.873 65.062 63.200 -0.018 0.000 1.113 567 S HN 0.361 nan 8.310 nan 0.000 0.547 568 N N -0.036 118.655 118.700 -0.014 0.000 2.453 568 N HA 0.335 5.075 4.740 0.000 0.000 0.270 568 N C 0.249 175.748 175.510 -0.017 0.000 1.195 568 N CA -0.166 52.876 53.050 -0.014 0.000 0.902 568 N CB -0.764 37.715 38.487 -0.013 0.000 1.186 568 N HN 0.660 nan 8.380 nan 0.000 0.510 569 L N -0.967 120.243 121.223 -0.021 0.000 2.416 569 L HA 0.239 4.579 4.340 0.000 0.000 0.216 569 L C 2.311 179.167 176.870 -0.025 0.000 1.098 569 L CA 0.089 54.911 54.840 -0.031 0.000 0.840 569 L CB -0.019 42.012 42.059 -0.047 0.000 0.981 569 L HN 0.207 nan 8.230 nan 0.000 0.462 570 R N 0.808 121.301 120.500 -0.011 0.000 2.062 570 R HA -0.178 4.162 4.340 0.000 0.000 0.231 570 R C 1.703 178.004 176.300 0.001 0.000 1.136 570 R CA 2.026 58.126 56.100 0.001 0.000 0.948 570 R CB -0.068 30.238 30.300 0.010 0.000 0.845 570 R HN 0.170 nan 8.270 nan 0.000 0.430 571 D N 0.243 120.641 120.400 -0.003 0.000 2.104 571 D HA -0.207 4.433 4.640 0.000 0.000 0.194 571 D C 1.712 178.009 176.300 -0.005 0.000 0.994 571 D CA 1.556 55.554 54.000 -0.003 0.000 0.830 571 D CB -0.156 40.640 40.800 -0.005 0.000 0.959 571 D HN 0.408 nan 8.370 nan 0.000 0.452 572 E N -0.343 119.850 120.200 -0.011 0.000 2.058 572 E HA -0.201 4.149 4.350 0.000 0.000 0.194 572 E C 2.064 178.655 176.600 -0.016 0.000 0.997 572 E CA 0.690 57.080 56.400 -0.016 0.000 0.801 572 E CB -0.132 29.554 29.700 -0.023 0.000 0.746 572 E HN 0.146 nan 8.360 nan 0.000 0.450 573 L N 0.317 121.528 121.223 -0.020 0.000 2.017 573 L HA -0.144 4.196 4.340 0.000 0.000 0.208 573 L C 2.302 179.181 176.870 0.014 0.000 1.073 573 L CA 1.291 56.118 54.840 -0.022 0.000 0.745 573 L CB -0.421 41.612 42.059 -0.043 0.000 0.894 573 L HN 0.044 nan 8.230 nan 0.000 0.432 574 V N -0.078 119.851 119.914 0.024 0.000 2.287 574 V HA -0.314 3.806 4.120 0.000 0.000 0.248 574 V C 2.634 178.745 176.094 0.029 0.000 1.053 574 V CA 2.142 64.466 62.300 0.040 0.000 1.027 574 V CB -0.732 31.108 31.823 0.028 0.000 0.646 574 V HN 0.590 nan 8.190 nan 0.000 0.447 575 E N 0.303 120.510 120.200 0.012 0.000 2.038 575 E HA -0.274 4.076 4.350 0.000 0.000 0.195 575 E C 2.304 178.904 176.600 0.001 0.000 1.000 575 E CA 1.701 58.103 56.400 0.004 0.000 0.803 575 E CB -0.049 29.649 29.700 -0.004 0.000 0.750 575 E HN 0.581 nan 8.360 nan 0.000 0.448 576 K N -0.084 120.315 120.400 -0.003 0.000 2.103 576 K HA -0.057 4.263 4.320 0.000 0.000 0.204 576 K C 2.200 178.794 176.600 -0.010 0.000 1.052 576 K CA 0.918 57.196 56.287 -0.015 0.000 0.945 576 K CB 0.086 32.573 32.500 -0.021 0.000 0.722 576 K HN 0.020 nan 8.250 nan 0.000 0.443 577 V N 2.284 122.217 119.914 0.031 0.000 2.358 577 V HA -0.247 3.873 4.120 0.000 0.000 0.246 577 V C 1.814 177.940 176.094 0.054 0.000 1.047 577 V CA 1.601 63.951 62.300 0.083 0.000 1.035 577 V CB -0.494 31.451 31.823 0.204 0.000 0.658 577 V HN 0.339 nan 8.190 nan 0.000 0.452 578 N N 0.403 119.133 118.700 0.051 0.000 2.069 578 N HA -0.179 4.561 4.740 0.000 0.000 0.191 578 N C 1.847 177.357 175.510 0.000 0.000 1.031 578 N CA 1.469 54.543 53.050 0.040 0.000 0.852 578 N CB -0.301 38.207 38.487 0.035 0.000 1.018 578 N HN 0.502 nan 8.380 nan 0.000 0.423 579 K N 0.034 120.420 120.400 -0.024 0.000 2.063 579 K HA -0.050 4.270 4.320 0.000 0.000 0.208 579 K C 2.024 178.555 176.600 -0.115 0.000 1.048 579 K CA 1.420 57.675 56.287 -0.055 0.000 0.928 579 K CB -0.198 32.270 32.500 -0.054 0.000 0.713 579 K HN 0.172 nan 8.250 nan 0.000 0.442 580 T N 1.845 116.304 114.554 -0.158 0.000 2.737 580 T HA -0.086 4.264 4.350 0.000 0.000 0.265 580 T C 1.875 176.396 174.700 -0.298 0.000 1.038 580 T CA 0.999 62.905 62.100 -0.323 0.000 1.144 580 T CB -0.166 68.495 68.868 -0.345 0.000 0.866 580 T HN 0.090 nan 8.240 nan 0.000 0.434 581 L N 0.756 121.875 121.223 -0.173 0.000 1.994 581 L HA -0.122 4.218 4.340 0.000 0.000 0.208 581 L C 3.070 179.879 176.870 -0.102 0.000 1.071 581 L CA 1.423 56.177 54.840 -0.142 0.000 0.745 581 L CB -0.712 41.319 42.059 -0.047 0.000 0.892 581 L HN 0.239 nan 8.230 nan 0.000 0.431 582 A N -0.255 122.536 122.820 -0.049 0.000 1.908 582 A HA -0.196 4.124 4.320 0.000 0.000 0.218 582 A C 2.311 179.853 177.584 -0.070 0.000 1.181 582 A CA 1.542 53.562 52.037 -0.029 0.000 0.627 582 A CB -0.324 18.676 19.000 0.000 0.000 0.818 582 A HN 0.225 nan 8.150 nan 0.000 0.445 583 K N -0.541 119.799 120.400 -0.101 0.000 2.057 583 K HA -0.129 4.191 4.320 0.000 0.000 0.207 583 K C 2.117 178.659 176.600 -0.097 0.000 1.049 583 K CA 1.635 57.864 56.287 -0.097 0.000 0.931 583 K CB -0.365 32.063 32.500 -0.120 0.000 0.714 583 K HN 0.409 nan 8.250 nan 0.000 0.440 584 R N 1.382 121.800 120.500 -0.136 0.000 2.062 584 R HA 0.073 4.413 4.340 0.000 0.000 0.229 584 R C 2.309 178.510 176.300 -0.166 0.000 1.128 584 R CA 0.988 57.037 56.100 -0.086 0.000 0.960 584 R CB -0.754 29.532 30.300 -0.025 0.000 0.855 584 R HN 0.100 nan 8.270 nan 0.000 0.432 585 L N 0.621 121.714 121.223 -0.217 0.000 2.127 585 L HA -0.127 4.213 4.340 0.000 0.000 0.211 585 L C 2.414 179.152 176.870 -0.219 0.000 1.089 585 L CA 1.760 56.421 54.840 -0.299 0.000 0.757 585 L CB -0.491 41.387 42.059 -0.303 0.000 0.899 585 L HN 0.398 nan 8.230 nan 0.000 0.434 586 E N 0.103 120.219 120.200 -0.140 0.000 2.209 586 E HA -0.258 4.092 4.350 0.000 0.000 0.196 586 E C 1.956 178.495 176.600 -0.102 0.000 0.993 586 E CA 1.155 57.495 56.400 -0.099 0.000 0.819 586 E CB 0.142 29.805 29.700 -0.061 0.000 0.745 586 E HN 0.592 nan 8.360 nan 0.000 0.477 587 Q N -0.836 118.893 119.800 -0.119 0.000 2.396 587 Q HA 0.015 4.355 4.340 0.000 0.000 0.209 587 Q C 0.959 176.870 176.000 -0.148 0.000 0.906 587 Q CA 1.141 56.885 55.803 -0.099 0.000 0.927 587 Q CB 0.871 29.568 28.738 -0.068 0.000 1.069 587 Q HN 0.208 nan 8.270 nan 0.000 0.523 588 T N -1.437 112.951 114.554 -0.278 0.000 3.269 588 T HA 0.079 4.429 4.350 0.000 0.000 0.269 588 T C 0.716 175.257 174.700 -0.265 0.000 0.993 588 T CA -0.442 61.380 62.100 -0.465 0.000 0.909 588 T CB -0.183 68.091 68.868 -0.989 0.000 1.115 588 T HN 0.152 nan 8.240 nan 0.000 0.543 589 N N 0.737 119.354 118.700 -0.139 0.000 2.550 589 N HA -0.016 4.724 4.740 0.000 0.000 0.186 589 N C 1.080 176.587 175.510 -0.004 0.000 1.110 589 N CA 0.186 53.181 53.050 -0.091 0.000 0.912 589 N CB -0.342 38.094 38.487 -0.086 0.000 0.968 589 N HN 0.359 nan 8.380 nan 0.000 0.448 590 S N -0.694 115.054 115.700 0.079 0.000 2.535 590 S HA 0.152 4.622 4.470 0.000 0.000 0.214 590 S C -0.289 174.425 174.600 0.190 0.000 0.980 590 S CA -0.450 57.824 58.200 0.123 0.000 0.907 590 S CB -0.102 63.164 63.200 0.110 0.000 0.790 590 S HN 0.210 nan 8.310 nan 0.000 0.510 591 Y N 2.855 123.123 120.300 -0.053 0.000 2.326 591 Y HA 0.294 4.844 4.550 0.000 0.000 0.333 591 Y C 0.727 176.604 175.900 -0.040 0.000 1.240 591 Y CA -1.840 56.233 58.100 -0.046 0.000 1.365 591 Y CB 0.051 38.467 38.460 -0.073 0.000 1.289 591 Y HN 0.024 nan 8.280 nan 0.000 0.548 592 D N 1.279 121.751 120.400 0.120 0.000 2.382 592 D HA -0.026 4.614 4.640 0.000 0.000 0.240 592 D C 1.201 177.570 176.300 0.114 0.000 1.146 592 D CA -0.146 53.907 54.000 0.089 0.000 0.897 592 D CB 0.785 41.621 40.800 0.061 0.000 1.197 592 D HN 0.500 nan 8.370 nan 0.000 0.432 593 L N 2.679 123.966 121.223 0.106 0.000 1.990 593 L HA -0.213 4.127 4.340 0.000 0.000 0.213 593 L C 1.929 178.937 176.870 0.231 0.000 1.072 593 L CA 1.695 56.624 54.840 0.148 0.000 0.755 593 L CB -0.308 41.846 42.059 0.159 0.000 0.889 593 L HN 0.357 nan 8.230 nan 0.000 0.432 594 V N 0.866 120.910 119.914 0.216 0.000 2.237 594 V HA -0.164 3.956 4.120 0.000 0.000 0.245 594 V C -0.218 176.078 176.094 0.337 0.000 1.046 594 V CA 2.275 64.742 62.300 0.277 0.000 1.007 594 V CB -2.127 29.824 31.823 0.213 0.000 0.638 594 V HN 0.424 nan 8.190 nan 0.000 0.445 595 P HA -0.187 nan 4.420 nan 0.000 0.220 595 P C 1.609 179.102 177.300 0.320 0.000 1.148 595 P CA 1.441 64.707 63.100 0.277 0.000 0.803 595 P CB -0.105 31.701 31.700 0.176 0.000 0.782 596 R N -0.697 119.937 120.500 0.223 0.000 2.083 596 R HA -0.143 4.197 4.340 0.000 0.000 0.237 596 R C 2.206 178.373 176.300 -0.221 0.000 1.137 596 R CA 1.861 57.915 56.100 -0.078 0.000 0.951 596 R CB -0.717 29.406 30.300 -0.294 0.000 0.851 596 R HN 0.176 nan 8.270 nan 0.000 0.434 597 W N -0.477 120.860 121.300 0.062 0.000 2.453 597 W HA -0.063 4.597 4.660 0.000 0.000 0.289 597 W C 2.377 178.938 176.519 0.071 0.000 1.215 597 W CA 0.593 57.965 57.345 0.044 0.000 1.297 597 W CB -0.133 29.319 29.460 -0.013 0.000 1.113 597 W HN 0.239 nan 8.180 nan 0.000 0.551 598 H N -0.510 118.756 119.070 0.327 0.000 2.389 598 H HA -0.178 4.378 4.556 0.000 0.000 0.299 598 H C 1.853 177.313 175.328 0.220 0.000 1.081 598 H CA 1.888 58.091 56.048 0.258 0.000 1.345 598 H CB -0.648 29.222 29.762 0.179 0.000 1.393 598 H HN 0.267 nan 8.280 nan 0.000 0.520 599 D N 0.876 121.433 120.400 0.261 0.000 2.084 599 D HA -0.127 4.513 4.640 0.000 0.000 0.194 599 D C 2.224 178.591 176.300 0.112 0.000 0.990 599 D CA 1.231 55.324 54.000 0.155 0.000 0.826 599 D CB 0.167 41.014 40.800 0.079 0.000 0.971 599 D HN 0.288 nan 8.370 nan 0.000 0.453 600 A N 0.036 122.864 122.820 0.013 0.000 1.877 600 A HA -0.144 4.176 4.320 0.000 0.000 0.216 600 A C 2.123 179.694 177.584 -0.021 0.000 1.186 600 A CA 1.119 53.113 52.037 -0.071 0.000 0.620 600 A CB -1.141 17.692 19.000 -0.278 0.000 0.822 600 A HN 0.307 nan 8.150 nan 0.000 0.443 601 F N -0.191 119.869 119.950 0.184 0.000 2.502 601 F HA -0.027 4.500 4.527 0.000 0.000 0.298 601 F C 2.793 178.727 175.800 0.223 0.000 1.111 601 F CA 1.077 59.169 58.000 0.153 0.000 1.445 601 F CB -0.187 38.789 39.000 -0.039 0.000 1.081 601 F HN 0.259 nan 8.300 nan 0.000 0.558 602 S N -0.279 115.632 115.700 0.351 0.000 2.368 602 S HA -0.200 4.270 4.470 0.000 0.000 0.224 602 S C 2.167 176.959 174.600 0.319 0.000 1.029 602 S CA 0.975 59.356 58.200 0.300 0.000 0.988 602 S CB -0.535 62.800 63.200 0.224 0.000 0.838 602 S HN 0.292 nan 8.310 nan 0.000 0.462 603 F N 2.659 122.679 119.950 0.117 0.000 2.102 603 F HA 0.120 4.647 4.527 0.000 0.000 0.298 603 F C 2.504 178.375 175.800 0.118 0.000 1.105 603 F CA 0.775 58.822 58.000 0.079 0.000 1.239 603 F CB -1.364 37.644 39.000 0.014 0.000 0.991 603 F HN 0.279 nan 8.300 nan 0.000 0.474 604 A N 0.080 123.099 122.820 0.333 0.000 1.972 604 A HA -0.049 4.272 4.320 0.000 0.000 0.219 604 A C 2.450 180.300 177.584 0.443 0.000 1.169 604 A CA 1.759 53.986 52.037 0.316 0.000 0.635 604 A CB -1.406 17.806 19.000 0.353 0.000 0.810 604 A HN 0.410 nan 8.150 nan 0.000 0.446 605 A N -0.412 122.726 122.820 0.530 0.000 1.978 605 A HA 0.089 4.409 4.320 0.000 0.000 0.220 605 A C 2.367 180.095 177.584 0.240 0.000 1.170 605 A CA 1.900 54.203 52.037 0.444 0.000 0.636 605 A CB -1.304 17.954 19.000 0.429 0.000 0.810 605 A HN 0.724 nan 8.150 nan 0.000 0.448 606 G N -1.041 107.909 108.800 0.250 0.000 2.418 606 G HA2 -0.167 3.793 3.960 0.000 0.000 0.217 606 G HA3 -0.167 3.793 3.960 0.000 0.000 0.217 606 G C 1.561 176.537 174.900 0.128 0.000 1.158 606 G CA 1.621 46.832 45.100 0.186 0.000 0.771 606 G HN 0.433 nan 8.290 nan 0.000 0.545 607 T N 0.890 115.525 114.554 0.134 0.000 2.746 607 T HA -0.109 4.241 4.350 0.000 0.000 0.267 607 T C 2.552 177.244 174.700 -0.014 0.000 1.039 607 T CA 1.212 63.343 62.100 0.051 0.000 1.142 607 T CB -0.238 68.651 68.868 0.034 0.000 0.866 607 T HN 0.075 nan 8.240 nan 0.000 0.444 608 V N 1.246 121.137 119.914 -0.040 0.000 2.295 608 V HA -0.156 3.964 4.120 0.000 0.000 0.246 608 V C 2.676 178.662 176.094 -0.180 0.000 1.049 608 V CA 1.257 63.431 62.300 -0.210 0.000 1.024 608 V CB -0.805 30.793 31.823 -0.374 0.000 0.648 608 V HN 0.308 nan 8.190 nan 0.000 0.447 609 V N 0.090 119.955 119.914 -0.082 0.000 2.324 609 V HA -0.360 3.760 4.120 0.000 0.000 0.250 609 V C 2.457 178.516 176.094 -0.058 0.000 1.060 609 V CA 2.610 64.874 62.300 -0.060 0.000 1.042 609 V CB -0.563 31.260 31.823 0.000 0.000 0.650 609 V HN 0.719 nan 8.190 nan 0.000 0.450 610 E N -0.187 119.992 120.200 -0.036 0.000 2.028 610 E HA -0.162 4.188 4.350 0.000 0.000 0.190 610 E C 2.182 178.749 176.600 -0.055 0.000 0.984 610 E CA 1.591 57.973 56.400 -0.030 0.000 0.800 610 E CB -0.014 29.682 29.700 -0.008 0.000 0.758 610 E HN 0.389 nan 8.360 nan 0.000 0.448 611 V N 1.340 121.210 119.914 -0.074 0.000 2.427 611 V HA -0.174 3.946 4.120 0.000 0.000 0.248 611 V C 1.963 177.991 176.094 -0.110 0.000 1.051 611 V CA 1.194 63.444 62.300 -0.083 0.000 1.048 611 V CB -0.223 31.548 31.823 -0.087 0.000 0.666 611 V HN 0.350 nan 8.190 nan 0.000 0.456 612 L N 0.748 121.876 121.223 -0.159 0.000 2.848 612 L HA 0.142 4.483 4.340 0.000 0.000 0.240 612 L C 2.145 178.933 176.870 -0.137 0.000 1.232 612 L CA 0.385 55.114 54.840 -0.184 0.000 1.031 612 L CB -0.178 41.684 42.059 -0.328 0.000 1.338 612 L HN 0.429 nan 8.230 nan 0.000 0.509 613 S N -0.878 114.765 115.700 -0.095 0.000 2.419 613 S HA -0.182 4.288 4.470 0.000 0.000 0.235 613 S C 2.029 176.596 174.600 -0.056 0.000 1.019 613 S CA 1.332 59.492 58.200 -0.067 0.000 0.982 613 S CB -0.296 62.877 63.200 -0.045 0.000 0.789 613 S HN 0.581 nan 8.310 nan 0.000 0.490 614 S N 1.363 117.029 115.700 -0.057 0.000 2.562 614 S HA 0.070 4.540 4.470 0.000 0.000 0.221 614 S C 1.044 175.617 174.600 -0.045 0.000 0.975 614 S CA 0.291 58.465 58.200 -0.043 0.000 0.918 614 S CB -0.992 62.185 63.200 -0.038 0.000 0.772 614 S HN 0.800 nan 8.310 nan 0.000 0.531 615 T N 0.154 114.670 114.554 -0.063 0.000 2.824 615 T HA 0.442 4.792 4.350 0.000 0.000 0.277 615 T C 1.012 175.686 174.700 -0.044 0.000 0.975 615 T CA -0.072 61.993 62.100 -0.059 0.000 0.966 615 T CB 1.247 70.061 68.868 -0.090 0.000 1.054 615 T HN 0.246 nan 8.240 nan 0.000 0.533 616 S N -0.164 115.520 115.700 -0.028 0.000 2.605 616 S HA 0.221 4.691 4.470 0.000 0.000 0.217 616 S C 0.667 175.265 174.600 -0.003 0.000 0.958 616 S CA -0.603 57.591 58.200 -0.011 0.000 0.919 616 S CB -0.812 62.389 63.200 0.000 0.000 0.780 616 S HN 0.607 nan 8.310 nan 0.000 0.507 617 L N 3.570 124.781 121.223 -0.019 0.000 2.490 617 L HA 0.162 4.502 4.340 0.000 0.000 0.274 617 L C 1.016 177.896 176.870 0.017 0.000 1.201 617 L CA -0.381 54.461 54.840 0.004 0.000 0.869 617 L CB 0.387 42.413 42.059 -0.056 0.000 1.123 617 L HN 0.380 nan 8.230 nan 0.000 0.484 618 S N 3.255 118.986 115.700 0.052 0.000 2.600 618 S HA 0.239 4.709 4.470 0.000 0.000 0.265 618 S C 1.178 175.820 174.600 0.070 0.000 1.325 618 S CA -0.821 57.412 58.200 0.055 0.000 1.002 618 S CB 0.888 64.127 63.200 0.065 0.000 0.921 618 S HN 0.564 nan 8.310 nan 0.000 0.554 619 L N 1.027 122.289 121.223 0.065 0.000 2.131 619 L HA -0.081 4.259 4.340 0.000 0.000 0.210 619 L C 3.034 179.973 176.870 0.114 0.000 1.092 619 L CA 1.470 56.359 54.840 0.081 0.000 0.759 619 L CB -1.275 40.825 42.059 0.067 0.000 0.903 619 L HN 0.939 nan 8.230 nan 0.000 0.435 620 A N 0.432 123.314 122.820 0.105 0.000 1.908 620 A HA -0.191 4.129 4.320 0.000 0.000 0.218 620 A C 2.587 180.269 177.584 0.163 0.000 1.181 620 A CA 1.836 53.944 52.037 0.118 0.000 0.627 620 A CB -0.655 18.402 19.000 0.095 0.000 0.818 620 A HN 0.398 nan 8.150 nan 0.000 0.445 621 A N -0.577 122.351 122.820 0.180 0.000 1.883 621 A HA -0.029 4.291 4.320 0.000 0.000 0.217 621 A C 2.244 180.053 177.584 0.375 0.000 1.186 621 A CA 1.953 54.148 52.037 0.264 0.000 0.624 621 A CB -0.978 18.171 19.000 0.249 0.000 0.822 621 A HN 0.438 nan 8.150 nan 0.000 0.444 622 V N 0.593 120.705 119.914 0.329 0.000 2.358 622 V HA -0.236 3.884 4.120 0.000 0.000 0.246 622 V C 2.396 178.748 176.094 0.429 0.000 1.047 622 V CA 2.235 64.783 62.300 0.414 0.000 1.035 622 V CB -1.160 30.781 31.823 0.197 0.000 0.658 622 V HN 0.707 nan 8.190 nan 0.000 0.452 623 N N 0.658 119.528 118.700 0.282 0.000 2.149 623 N HA -0.161 4.579 4.740 0.000 0.000 0.188 623 N C 1.727 177.355 175.510 0.196 0.000 1.019 623 N CA 1.657 54.848 53.050 0.234 0.000 0.857 623 N CB -0.315 38.272 38.487 0.166 0.000 0.997 623 N HN 0.435 nan 8.380 nan 0.000 0.426 624 A N -0.682 122.253 122.820 0.193 0.000 1.902 624 A HA -0.127 4.193 4.320 0.000 0.000 0.217 624 A C 2.111 179.691 177.584 -0.006 0.000 1.181 624 A CA 1.435 53.554 52.037 0.137 0.000 0.623 624 A CB -1.372 17.749 19.000 0.202 0.000 0.818 624 A HN 0.687 nan 8.150 nan 0.000 0.443 625 W N 1.216 122.343 121.300 -0.290 0.000 2.355 625 W HA -0.198 4.462 4.660 0.000 0.000 0.309 625 W C 2.130 178.423 176.519 -0.376 0.000 1.206 625 W CA 2.240 59.134 57.345 -0.752 0.000 1.284 625 W CB -0.020 29.070 29.460 -0.618 0.000 1.145 625 W HN 0.218 nan 8.180 nan 0.000 0.502 626 K N 0.563 120.919 120.400 -0.073 0.000 2.032 626 K HA -0.193 4.127 4.320 0.000 0.000 0.209 626 K C 1.725 178.118 176.600 -0.345 0.000 1.048 626 K CA 2.219 58.352 56.287 -0.256 0.000 0.927 626 K CB -0.888 31.746 32.500 0.224 0.000 0.712 626 K HN 0.253 nan 8.250 nan 0.000 0.441 627 V N 1.483 121.313 119.914 -0.139 0.000 2.307 627 V HA -0.217 3.903 4.120 0.000 0.000 0.245 627 V C 2.666 178.624 176.094 -0.226 0.000 1.045 627 V CA 1.911 64.176 62.300 -0.058 0.000 1.024 627 V CB -0.853 31.009 31.823 0.066 0.000 0.651 627 V HN 0.476 nan 8.190 nan 0.000 0.449 628 A N 0.003 122.646 122.820 -0.295 0.000 1.908 628 A HA -0.148 4.172 4.320 0.000 0.000 0.218 628 A C 2.403 179.696 177.584 -0.485 0.000 1.181 628 A CA 2.256 54.115 52.037 -0.295 0.000 0.627 628 A CB -0.801 18.069 19.000 -0.217 0.000 0.818 628 A HN 0.575 nan 8.150 nan 0.000 0.445 629 A N -0.316 121.974 122.820 -0.883 0.000 1.898 629 A HA 0.224 4.544 4.320 0.000 0.000 0.216 629 A C 2.504 179.441 177.584 -1.078 0.000 1.181 629 A CA 1.931 53.252 52.037 -1.192 0.000 0.620 629 A CB -0.989 16.716 19.000 -2.158 0.000 0.819 629 A HN 1.037 nan 8.150 nan 0.000 0.442 630 A N 0.032 122.278 122.820 -0.956 0.000 1.877 630 A HA -0.196 4.124 4.320 0.000 0.000 0.216 630 A C 1.909 179.261 177.584 -0.386 0.000 1.186 630 A CA 1.725 53.465 52.037 -0.495 0.000 0.620 630 A CB -0.581 18.029 19.000 -0.651 0.000 0.822 630 A HN 0.633 nan 8.150 nan 0.000 0.443 631 E N -0.521 119.489 120.200 -0.317 0.000 2.110 631 E HA -0.152 4.198 4.350 0.000 0.000 0.193 631 E C 2.278 178.768 176.600 -0.185 0.000 0.988 631 E CA 1.169 57.468 56.400 -0.169 0.000 0.804 631 E CB -0.205 29.441 29.700 -0.090 0.000 0.745 631 E HN 0.612 nan 8.360 nan 0.000 0.458 632 S N 0.522 116.090 115.700 -0.221 0.000 2.359 632 S HA -0.216 4.255 4.470 0.000 0.000 0.224 632 S C 2.096 176.571 174.600 -0.207 0.000 1.035 632 S CA 1.360 59.470 58.200 -0.149 0.000 1.018 632 S CB -0.158 62.983 63.200 -0.098 0.000 0.876 632 S HN 0.336 nan 8.310 nan 0.000 0.448 633 A N 0.955 123.506 122.820 -0.447 0.000 1.930 633 A HA 0.104 4.424 4.320 0.000 0.000 0.217 633 A C 2.137 179.236 177.584 -0.809 0.000 1.175 633 A CA 1.290 52.708 52.037 -1.032 0.000 0.627 633 A CB -0.700 17.081 19.000 -2.032 0.000 0.815 633 A HN 0.617 nan 8.150 nan 0.000 0.443 634 I N -0.327 119.915 120.570 -0.548 0.000 2.142 634 I HA -0.241 3.929 4.170 0.000 0.000 0.240 634 I C 2.738 178.799 176.117 -0.094 0.000 1.078 634 I CA 1.573 62.750 61.300 -0.205 0.000 1.343 634 I CB -0.295 37.684 38.000 -0.034 0.000 1.046 634 I HN 0.215 nan 8.210 nan 0.000 0.405 635 S N 0.613 116.261 115.700 -0.087 0.000 2.368 635 S HA -0.175 4.296 4.470 0.000 0.000 0.225 635 S C 1.895 176.496 174.600 0.001 0.000 1.030 635 S CA 1.302 59.487 58.200 -0.024 0.000 0.999 635 S CB -0.404 62.781 63.200 -0.027 0.000 0.844 635 S HN 0.295 nan 8.310 nan 0.000 0.459 636 L N 1.736 122.948 121.223 -0.020 0.000 2.056 636 L HA -0.061 4.279 4.340 0.000 0.000 0.207 636 L C 2.235 179.216 176.870 0.185 0.000 1.078 636 L CA 1.843 56.713 54.840 0.050 0.000 0.749 636 L CB -1.404 40.632 42.059 -0.039 0.000 0.901 636 L HN 0.200 nan 8.230 nan 0.000 0.433 637 T N -0.425 114.232 114.554 0.172 0.000 2.684 637 T HA -0.210 4.140 4.350 0.000 0.000 0.267 637 T C 2.013 176.772 174.700 0.097 0.000 1.036 637 T CA 1.768 63.931 62.100 0.106 0.000 1.148 637 T CB -0.207 68.632 68.868 -0.049 0.000 0.863 637 T HN 0.344 nan 8.240 nan 0.000 0.436 638 R N 0.727 121.275 120.500 0.080 0.000 2.096 638 R HA -0.101 4.239 4.340 0.000 0.000 0.235 638 R C 2.724 179.095 176.300 0.119 0.000 1.127 638 R CA 1.331 57.489 56.100 0.097 0.000 0.968 638 R CB -0.255 30.100 30.300 0.091 0.000 0.861 638 R HN 0.506 nan 8.270 nan 0.000 0.440 639 Q N 0.725 120.590 119.800 0.110 0.000 2.050 639 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 639 Q C 1.997 178.080 176.000 0.138 0.000 0.980 639 Q CA 1.758 57.628 55.803 0.112 0.000 0.840 639 Q CB 0.089 28.879 28.738 0.087 0.000 0.898 639 Q HN 0.206 nan 8.270 nan 0.000 0.424 640 V N 1.179 121.187 119.914 0.157 0.000 2.407 640 V HA -0.246 3.874 4.120 0.000 0.000 0.248 640 V C 2.454 178.654 176.094 0.176 0.000 1.055 640 V CA 2.032 64.436 62.300 0.173 0.000 1.049 640 V CB -0.593 31.362 31.823 0.221 0.000 0.662 640 V HN 0.346 nan 8.190 nan 0.000 0.455 641 R N -0.305 120.298 120.500 0.171 0.000 2.073 641 R HA -0.144 4.196 4.340 0.000 0.000 0.234 641 R C 2.405 178.925 176.300 0.366 0.000 1.134 641 R CA 1.434 57.676 56.100 0.236 0.000 0.952 641 R CB -0.330 30.090 30.300 0.200 0.000 0.850 641 R HN 0.462 nan 8.270 nan 0.000 0.433 642 E N 0.073 120.440 120.200 0.278 0.000 2.085 642 E HA -0.152 4.198 4.350 0.000 0.000 0.194 642 E C 2.042 178.782 176.600 0.234 0.000 0.994 642 E CA 1.588 58.152 56.400 0.272 0.000 0.801 642 E CB -0.330 29.484 29.700 0.190 0.000 0.743 642 E HN 0.303 nan 8.360 nan 0.000 0.453 643 T N 1.092 115.755 114.554 0.182 0.000 2.788 643 T HA -0.148 4.202 4.350 0.000 0.000 0.268 643 T C 1.590 176.357 174.700 0.112 0.000 1.044 643 T CA 1.150 63.329 62.100 0.131 0.000 1.139 643 T CB -0.402 68.536 68.868 0.116 0.000 0.867 643 T HN 0.177 nan 8.240 nan 0.000 0.454 644 F N 0.184 120.114 119.950 -0.032 0.000 2.075 644 F HA -0.063 4.464 4.527 0.000 0.000 0.297 644 F C 1.689 177.347 175.800 -0.237 0.000 1.113 644 F CA 1.218 59.096 58.000 -0.203 0.000 1.218 644 F CB -0.363 38.400 39.000 -0.397 0.000 0.984 644 F HN 0.202 nan 8.300 nan 0.000 0.472 645 W N 0.166 121.583 121.300 0.195 0.000 2.595 645 W HA -0.008 4.652 4.660 0.000 0.000 0.257 645 W C 2.462 178.979 176.519 -0.002 0.000 1.267 645 W CA 0.840 58.239 57.345 0.089 0.000 1.300 645 W CB -0.517 29.043 29.460 0.167 0.000 1.120 645 W HN 0.156 nan 8.180 nan 0.000 0.618 646 S N -0.991 114.810 115.700 0.169 0.000 2.577 646 S HA 0.585 5.055 4.470 0.000 0.000 0.219 646 S C 0.413 175.029 174.600 0.027 0.000 0.962 646 S CA -0.138 58.128 58.200 0.109 0.000 0.921 646 S CB -0.176 63.092 63.200 0.113 0.000 0.789 646 S HN -0.002 nan 8.310 nan 0.000 0.497 647 A N 0.837 123.627 122.820 -0.050 0.000 2.423 647 A HA 0.912 5.232 4.320 0.000 0.000 0.304 647 A C 0.102 177.608 177.584 -0.131 0.000 1.104 647 A CA -0.560 51.427 52.037 -0.083 0.000 0.757 647 A CB 0.994 19.933 19.000 -0.102 0.000 1.313 647 A HN 0.724 nan 8.150 nan 0.000 0.423 648 A N 0.302 123.068 122.820 -0.090 0.000 2.366 648 A HA 0.479 4.799 4.320 0.000 0.000 0.249 648 A C 1.447 178.951 177.584 -0.133 0.000 1.084 648 A CA 0.379 52.364 52.037 -0.087 0.000 0.794 648 A CB -0.166 18.809 19.000 -0.042 0.000 1.034 648 A HN 1.905 nan 8.150 nan 0.000 0.491 649 S N -0.128 115.506 115.700 -0.110 0.000 2.474 649 S HA -0.156 4.314 4.470 0.000 0.000 0.235 649 S C 1.471 176.075 174.600 0.006 0.000 0.997 649 S CA 1.551 59.701 58.200 -0.083 0.000 0.949 649 S CB -1.110 62.061 63.200 -0.048 0.000 0.766 649 S HN 1.097 nan 8.310 nan 0.000 0.517 650 T N -0.717 113.834 114.554 -0.005 0.000 3.007 650 T HA 0.068 4.418 4.350 0.000 0.000 0.270 650 T C 1.394 176.090 174.700 -0.008 0.000 1.107 650 T CA 1.152 63.260 62.100 0.014 0.000 1.118 650 T CB -0.457 68.414 68.868 0.005 0.000 0.889 650 T HN 0.373 nan 8.240 nan 0.000 0.506 651 S N 1.082 116.757 115.700 -0.042 0.000 2.575 651 S HA 0.357 4.827 4.470 0.000 0.000 0.237 651 S C 0.634 175.188 174.600 -0.077 0.000 0.975 651 S CA -0.515 57.651 58.200 -0.057 0.000 0.960 651 S CB 0.163 63.327 63.200 -0.060 0.000 0.822 651 S HN 0.602 nan 8.310 nan 0.000 0.472 652 S N 3.574 119.234 115.700 -0.067 0.000 2.552 652 S HA 0.096 4.566 4.470 0.000 0.000 0.289 652 S C -1.243 173.357 174.600 0.001 0.000 1.304 652 S CA -1.011 57.156 58.200 -0.055 0.000 1.063 652 S CB 0.710 63.963 63.200 0.088 0.000 0.848 652 S HN 0.167 nan 8.310 nan 0.000 0.499 653 P HA 0.021 nan 4.420 nan 0.000 0.230 653 P C 1.110 178.477 177.300 0.112 0.000 1.158 653 P CA 0.922 64.083 63.100 0.103 0.000 0.769 653 P CB -0.209 31.632 31.700 0.235 0.000 0.807 654 A N 0.699 123.592 122.820 0.121 0.000 1.978 654 A HA -0.150 4.170 4.320 0.000 0.000 0.220 654 A C 2.270 179.776 177.584 -0.129 0.000 1.170 654 A CA 1.248 53.324 52.037 0.066 0.000 0.636 654 A CB -1.554 17.327 19.000 -0.198 0.000 0.810 654 A HN 0.183 nan 8.150 nan 0.000 0.448 655 L N -0.395 120.702 121.223 -0.210 0.000 2.275 655 L HA -0.116 4.224 4.340 0.000 0.000 0.215 655 L C 2.446 179.175 176.870 -0.236 0.000 1.119 655 L CA 1.120 55.836 54.840 -0.207 0.000 0.790 655 L CB -0.360 41.614 42.059 -0.141 0.000 0.919 655 L HN 0.289 nan 8.230 nan 0.000 0.443 656 S N -1.286 114.194 115.700 -0.367 0.000 2.453 656 S HA -0.068 4.402 4.470 0.000 0.000 0.231 656 S C 1.267 175.400 174.600 -0.778 0.000 1.005 656 S CA 0.928 58.753 58.200 -0.624 0.000 0.949 656 S CB -0.037 62.590 63.200 -0.955 0.000 0.774 656 S HN 0.436 nan 8.310 nan 0.000 0.510 657 Y N -0.049 120.082 120.300 -0.282 0.000 2.512 657 Y HA 0.441 4.991 4.550 0.000 0.000 0.268 657 Y C 0.580 176.216 175.900 -0.440 0.000 1.102 657 Y CA -0.896 56.883 58.100 -0.536 0.000 1.261 657 Y CB -0.196 37.523 38.460 -1.235 0.000 1.250 657 Y HN 0.012 nan 8.280 nan 0.000 0.506 658 L N 1.480 122.664 121.223 -0.064 0.000 2.506 658 L HA 0.018 4.358 4.340 0.000 0.000 0.281 658 L C 1.062 177.973 176.870 0.069 0.000 1.228 658 L CA -0.082 54.836 54.840 0.130 0.000 0.850 658 L CB 0.440 42.542 42.059 0.072 0.000 1.110 658 L HN 0.196 nan 8.230 nan 0.000 0.496 659 S N 4.516 120.289 115.700 0.122 0.000 2.559 659 S HA 0.060 4.530 4.470 0.000 0.000 0.282 659 S C -1.251 173.377 174.600 0.047 0.000 1.336 659 S CA -0.876 57.376 58.200 0.086 0.000 1.037 659 S CB 0.703 63.965 63.200 0.104 0.000 0.853 659 S HN 0.531 nan 8.310 nan 0.000 0.523 660 P HA -0.094 nan 4.420 nan 0.000 0.220 660 P C 1.067 178.382 177.300 0.025 0.000 1.148 660 P CA 1.187 64.297 63.100 0.016 0.000 0.803 660 P CB 0.048 31.751 31.700 0.006 0.000 0.782 661 R N -0.196 120.320 120.500 0.028 0.000 2.075 661 R HA -0.015 4.325 4.340 0.000 0.000 0.226 661 R C 2.539 178.861 176.300 0.036 0.000 1.114 661 R CA 1.967 58.081 56.100 0.023 0.000 0.972 661 R CB -1.177 29.128 30.300 0.010 0.000 0.869 661 R HN 0.301 nan 8.270 nan 0.000 0.437 662 T N -1.158 113.427 114.554 0.051 0.000 2.951 662 T HA -0.102 4.248 4.350 0.000 0.000 0.268 662 T C 1.827 176.592 174.700 0.108 0.000 1.073 662 T CA 0.676 62.819 62.100 0.071 0.000 1.134 662 T CB -0.082 68.834 68.868 0.079 0.000 0.884 662 T HN 0.187 nan 8.240 nan 0.000 0.479 663 Q N 0.559 120.411 119.800 0.086 0.000 2.197 663 Q HA -0.063 4.277 4.340 0.000 0.000 0.207 663 Q C 2.276 178.366 176.000 0.150 0.000 0.984 663 Q CA 1.607 57.467 55.803 0.094 0.000 0.869 663 Q CB -0.552 28.206 28.738 0.034 0.000 0.906 663 Q HN 0.623 nan 8.270 nan 0.000 0.426 664 I N 0.038 120.672 120.570 0.106 0.000 2.208 664 I HA -0.291 3.879 4.170 0.000 0.000 0.245 664 I C 2.186 178.394 176.117 0.152 0.000 1.097 664 I CA 0.737 62.099 61.300 0.103 0.000 1.363 664 I CB -0.183 37.845 38.000 0.047 0.000 1.051 664 I HN 0.229 nan 8.210 nan 0.000 0.413 665 L N -0.216 121.095 121.223 0.146 0.000 2.109 665 L HA -0.205 4.135 4.340 0.000 0.000 0.207 665 L C 2.380 179.393 176.870 0.238 0.000 1.086 665 L CA 1.656 56.605 54.840 0.180 0.000 0.760 665 L CB -0.922 41.206 42.059 0.115 0.000 0.910 665 L HN 0.220 nan 8.230 nan 0.000 0.437 666 Y N 0.147 120.506 120.300 0.099 0.000 2.097 666 Y HA -0.307 4.243 4.550 0.000 0.000 0.282 666 Y C 2.400 178.350 175.900 0.083 0.000 1.152 666 Y CA 2.291 60.440 58.100 0.081 0.000 1.136 666 Y CB -0.376 38.127 38.460 0.072 0.000 0.975 666 Y HN 0.224 nan 8.280 nan 0.000 0.498 667 A N -0.180 122.826 122.820 0.310 0.000 1.933 667 A HA -0.209 4.111 4.320 0.000 0.000 0.218 667 A C 2.139 179.799 177.584 0.127 0.000 1.175 667 A CA 1.485 53.640 52.037 0.197 0.000 0.628 667 A CB -1.517 17.601 19.000 0.197 0.000 0.814 667 A HN 0.672 nan 8.150 nan 0.000 0.444 668 F N 0.929 120.896 119.950 0.029 0.000 2.095 668 F HA -0.184 4.343 4.527 0.000 0.000 0.298 668 F C 2.180 177.972 175.800 -0.014 0.000 1.104 668 F CA 2.151 60.157 58.000 0.010 0.000 1.232 668 F CB -0.429 38.580 39.000 0.016 0.000 0.987 668 F HN 0.035 nan 8.300 nan 0.000 0.475 669 V N 0.968 120.799 119.914 -0.139 0.000 2.323 669 V HA -0.191 3.929 4.120 0.000 0.000 0.244 669 V C 2.628 178.574 176.094 -0.246 0.000 1.041 669 V CA 1.873 64.018 62.300 -0.259 0.000 1.025 669 V CB -0.658 31.099 31.823 -0.109 0.000 0.656 669 V HN 0.231 nan 8.190 nan 0.000 0.451 670 R N -0.106 120.237 120.500 -0.262 0.000 2.092 670 R HA -0.067 4.273 4.340 0.000 0.000 0.231 670 R C 2.179 178.393 176.300 -0.144 0.000 1.119 670 R CA 1.158 57.106 56.100 -0.253 0.000 0.970 670 R CB -0.201 29.844 30.300 -0.426 0.000 0.864 670 R HN 0.546 nan 8.270 nan 0.000 0.440 671 E N 0.267 120.401 120.200 -0.111 0.000 2.083 671 E HA 0.002 4.352 4.350 0.000 0.000 0.193 671 E C 1.946 178.490 176.600 -0.093 0.000 0.950 671 E CA 0.533 56.895 56.400 -0.063 0.000 0.849 671 E CB -0.207 29.488 29.700 -0.008 0.000 0.827 671 E HN 0.313 nan 8.360 nan 0.000 0.465 672 E N 0.928 121.047 120.200 -0.135 0.000 2.072 672 E HA -0.041 4.309 4.350 0.000 0.000 0.191 672 E C 2.122 178.577 176.600 -0.241 0.000 0.985 672 E CA 0.693 56.994 56.400 -0.165 0.000 0.801 672 E CB 0.031 29.640 29.700 -0.152 0.000 0.750 672 E HN 0.123 nan 8.360 nan 0.000 0.452 673 L N -0.659 120.340 121.223 -0.373 0.000 2.509 673 L HA 0.137 4.477 4.340 0.000 0.000 0.222 673 L C 1.481 178.266 176.870 -0.142 0.000 1.123 673 L CA 0.449 55.122 54.840 -0.278 0.000 0.856 673 L CB -0.115 41.732 42.059 -0.353 0.000 0.985 673 L HN 0.299 nan 8.230 nan 0.000 0.456 674 G N 0.690 109.415 108.800 -0.124 0.000 2.153 674 G HA2 -0.255 3.705 3.960 0.000 0.000 0.252 674 G HA3 -0.255 3.705 3.960 0.000 0.000 0.252 674 G C 0.221 175.101 174.900 -0.033 0.000 0.994 674 G CA 0.135 45.197 45.100 -0.063 0.000 0.698 674 G HN 0.144 nan 8.290 nan 0.000 0.521 675 V N 2.074 121.959 119.914 -0.048 0.000 2.389 675 V HA 0.374 4.495 4.120 0.000 0.000 0.264 675 V C 0.538 176.622 176.094 -0.016 0.000 1.049 675 V CA -0.391 61.916 62.300 0.011 0.000 0.932 675 V CB 1.142 32.993 31.823 0.048 0.000 1.011 675 V HN 0.239 nan 8.190 nan 0.000 0.475 676 K N 3.122 123.548 120.400 0.043 0.000 2.106 676 K HA 0.710 5.030 4.320 0.000 0.000 0.246 676 K C 0.356 177.018 176.600 0.103 0.000 0.987 676 K CA -0.503 55.818 56.287 0.056 0.000 0.904 676 K CB 1.508 34.078 32.500 0.116 0.000 1.071 676 K HN 0.651 nan 8.250 nan 0.000 0.453 677 A N 1.376 124.284 122.820 0.147 0.000 2.547 677 A HA 0.025 4.345 4.320 0.000 0.000 0.233 677 A C 0.203 178.063 177.584 0.460 0.000 1.067 677 A CA 0.299 52.496 52.037 0.266 0.000 0.763 677 A CB 0.035 19.205 19.000 0.284 0.000 1.007 677 A HN 0.615 nan 8.150 nan 0.000 0.506 678 R N 1.242 121.952 120.500 0.351 0.000 2.343 678 R HA 0.356 4.696 4.340 0.000 0.000 0.320 678 R C 0.877 177.168 176.300 -0.015 0.000 0.956 678 R CA -0.576 55.588 56.100 0.105 0.000 0.836 678 R CB 0.788 31.006 30.300 -0.137 0.000 1.151 678 R HN 0.921 nan 8.270 nan 0.000 0.450 679 R N 2.337 122.639 120.500 -0.329 0.000 2.127 679 R HA 0.129 4.469 4.340 0.000 0.000 0.217 679 R C -0.177 175.900 176.300 -0.371 0.000 1.074 679 R CA 1.128 56.833 56.100 -0.659 0.000 0.991 679 R CB 0.341 29.835 30.300 -1.343 0.000 0.895 679 R HN 0.860 nan 8.270 nan 0.000 0.450 680 G N 0.269 108.916 108.800 -0.254 0.000 2.957 680 G HA2 -0.097 3.863 3.960 0.000 0.000 0.636 680 G HA3 -0.097 3.863 3.960 0.000 0.000 0.636 680 G C -0.893 173.962 174.900 -0.075 0.000 1.401 680 G CA -0.415 44.590 45.100 -0.158 0.000 0.941 680 G HN 0.101 nan 8.290 nan 0.000 0.610 681 D N 0.607 120.963 120.400 -0.073 0.000 2.123 681 D HA -0.107 4.533 4.640 0.000 0.000 0.196 681 D C 2.717 178.991 176.300 -0.043 0.000 0.992 681 D CA 1.695 55.664 54.000 -0.050 0.000 0.833 681 D CB 0.118 40.893 40.800 -0.041 0.000 0.954 681 D HN 0.349 nan 8.370 nan 0.000 0.455 682 V N 0.604 120.492 119.914 -0.044 0.000 2.307 682 V HA -0.196 3.924 4.120 0.000 0.000 0.245 682 V C 2.125 178.196 176.094 -0.039 0.000 1.045 682 V CA 1.129 63.401 62.300 -0.046 0.000 1.024 682 V CB -0.608 31.181 31.823 -0.057 0.000 0.651 682 V HN 0.083 nan 8.190 nan 0.000 0.449 683 F N 0.648 120.523 119.950 -0.125 0.000 2.091 683 F HA -0.229 4.298 4.527 0.000 0.000 0.299 683 F C 1.973 177.697 175.800 -0.126 0.000 1.103 683 F CA 1.852 59.777 58.000 -0.126 0.000 1.228 683 F CB -0.185 38.717 39.000 -0.163 0.000 0.984 683 F HN 0.036 nan 8.300 nan 0.000 0.477 684 L N -0.170 121.042 121.223 -0.018 0.000 2.478 684 L HA 0.115 4.455 4.340 0.000 0.000 0.223 684 L C 1.755 178.544 176.870 -0.134 0.000 1.140 684 L CA 0.647 55.435 54.840 -0.086 0.000 0.842 684 L CB -1.137 40.904 42.059 -0.029 0.000 0.953 684 L HN 0.428 nan 8.230 nan 0.000 0.452 685 G N 1.342 110.065 108.800 -0.128 0.000 2.249 685 G HA2 -0.342 3.618 3.960 0.000 0.000 0.273 685 G HA3 -0.342 3.618 3.960 0.000 0.000 0.273 685 G C 0.146 175.005 174.900 -0.067 0.000 1.036 685 G CA 0.748 45.788 45.100 -0.100 0.000 0.824 685 G HN 0.430 nan 8.290 nan 0.000 0.504 686 K N -0.368 120.000 120.400 -0.055 0.000 2.525 686 K HA 0.413 4.733 4.320 0.000 0.000 0.254 686 K C -0.276 176.305 176.600 -0.031 0.000 0.934 686 K CA -0.733 55.531 56.287 -0.039 0.000 0.802 686 K CB 1.086 33.565 32.500 -0.036 0.000 1.295 686 K HN 0.153 nan 8.250 nan 0.000 0.433 687 Q N 3.260 123.047 119.800 -0.022 0.000 2.423 687 Q HA 0.116 4.456 4.340 0.000 0.000 0.235 687 Q C -0.700 175.294 176.000 -0.010 0.000 1.100 687 Q CA -0.128 55.666 55.803 -0.015 0.000 0.908 687 Q CB 1.027 29.759 28.738 -0.010 0.000 1.312 687 Q HN 0.427 nan 8.270 nan 0.000 0.497 688 E N 0.936 121.130 120.200 -0.010 0.000 2.371 688 E HA 0.124 4.474 4.350 0.000 0.000 0.257 688 E C -0.068 176.538 176.600 0.010 0.000 1.134 688 E CA -0.525 55.874 56.400 -0.000 0.000 0.919 688 E CB 1.023 30.722 29.700 -0.001 0.000 1.025 688 E HN 0.229 nan 8.360 nan 0.000 0.438 689 V N 2.301 122.225 119.914 0.017 0.000 2.780 689 V HA -0.130 3.990 4.120 0.000 0.000 0.301 689 V C 0.897 177.007 176.094 0.028 0.000 1.168 689 V CA 0.781 63.095 62.300 0.022 0.000 1.305 689 V CB -0.204 31.636 31.823 0.029 0.000 0.858 689 V HN 0.823 nan 8.190 nan 0.000 0.502 690 T N 3.005 117.570 114.554 0.020 0.000 2.856 690 T HA 0.305 4.655 4.350 0.000 0.000 0.306 690 T C 1.240 175.948 174.700 0.013 0.000 1.062 690 T CA -0.356 61.753 62.100 0.015 0.000 1.083 690 T CB 0.542 69.412 68.868 0.004 0.000 0.984 690 T HN 0.364 nan 8.240 nan 0.000 0.542 691 I N 1.833 122.405 120.570 0.004 0.000 2.145 691 I HA -0.139 4.031 4.170 0.000 0.000 0.244 691 I C 2.842 178.860 176.117 -0.165 0.000 1.075 691 I CA 2.000 63.251 61.300 -0.082 0.000 1.332 691 I CB -0.946 37.011 38.000 -0.072 0.000 1.033 691 I HN 0.957 nan 8.210 nan 0.000 0.410 692 G N -0.475 108.268 108.800 -0.096 0.000 2.422 692 G HA2 -0.231 3.729 3.960 0.000 0.000 0.218 692 G HA3 -0.231 3.729 3.960 0.000 0.000 0.218 692 G C 1.747 176.618 174.900 -0.049 0.000 1.146 692 G CA 0.945 45.996 45.100 -0.081 0.000 0.769 692 G HN 0.369 nan 8.290 nan 0.000 0.547 693 S N 1.028 116.716 115.700 -0.021 0.000 2.374 693 S HA -0.152 4.318 4.470 0.000 0.000 0.227 693 S C 2.324 176.938 174.600 0.024 0.000 1.037 693 S CA 1.300 59.504 58.200 0.007 0.000 1.024 693 S CB -0.243 62.967 63.200 0.017 0.000 0.861 693 S HN 0.427 nan 8.310 nan 0.000 0.456 694 N N 0.972 119.687 118.700 0.025 0.000 2.207 694 N HA 0.004 4.744 4.740 0.000 0.000 0.182 694 N C 1.792 177.352 175.510 0.083 0.000 1.020 694 N CA 0.849 53.950 53.050 0.084 0.000 0.858 694 N CB -0.632 37.968 38.487 0.189 0.000 0.991 694 N HN 0.210 nan 8.380 nan 0.000 0.427 695 V N 1.391 121.285 119.914 -0.032 0.000 2.392 695 V HA -0.194 3.926 4.120 0.000 0.000 0.249 695 V C 2.242 178.384 176.094 0.080 0.000 1.059 695 V CA 1.530 63.833 62.300 0.006 0.000 1.051 695 V CB -0.691 31.072 31.823 -0.100 0.000 0.658 695 V HN 0.258 nan 8.190 nan 0.000 0.455 696 S N -0.495 115.236 115.700 0.052 0.000 2.382 696 S HA -0.225 4.245 4.470 0.000 0.000 0.228 696 S C 1.971 176.670 174.600 0.165 0.000 1.027 696 S CA 1.529 59.791 58.200 0.105 0.000 0.991 696 S CB -0.286 62.948 63.200 0.056 0.000 0.823 696 S HN 0.614 nan 8.310 nan 0.000 0.469 697 K N 0.841 121.304 120.400 0.106 0.000 2.063 697 K HA -0.043 4.277 4.320 0.000 0.000 0.208 697 K C 1.941 178.595 176.600 0.091 0.000 1.048 697 K CA 1.317 57.652 56.287 0.080 0.000 0.928 697 K CB -0.350 32.175 32.500 0.042 0.000 0.713 697 K HN 0.356 nan 8.250 nan 0.000 0.442 698 I N -0.163 120.480 120.570 0.122 0.000 2.202 698 I HA -0.287 3.883 4.170 0.000 0.000 0.242 698 I C 2.371 178.590 176.117 0.169 0.000 1.091 698 I CA 1.143 62.526 61.300 0.139 0.000 1.368 698 I CB -0.398 37.702 38.000 0.166 0.000 1.058 698 I HN 0.132 nan 8.210 nan 0.000 0.410 699 Y N 2.176 122.508 120.300 0.053 0.000 2.114 699 Y HA -0.332 4.218 4.550 0.000 0.000 0.282 699 Y C 2.419 178.343 175.900 0.040 0.000 1.165 699 Y CA 1.964 60.084 58.100 0.033 0.000 1.148 699 Y CB -0.365 38.097 38.460 0.003 0.000 0.972 699 Y HN 0.181 nan 8.280 nan 0.000 0.504 700 E N -0.046 120.173 120.200 0.032 0.000 2.110 700 E HA -0.210 4.140 4.350 0.000 0.000 0.193 700 E C 2.313 178.877 176.600 -0.060 0.000 0.988 700 E CA 0.942 57.298 56.400 -0.074 0.000 0.804 700 E CB -0.330 29.403 29.700 0.055 0.000 0.745 700 E HN 0.624 nan 8.360 nan 0.000 0.458 701 A N 0.752 123.588 122.820 0.028 0.000 2.014 701 A HA -0.097 4.223 4.320 0.000 0.000 0.218 701 A C 2.068 179.694 177.584 0.070 0.000 1.163 701 A CA 0.723 52.824 52.037 0.108 0.000 0.652 701 A CB -0.323 18.821 19.000 0.240 0.000 0.808 701 A HN 0.114 nan 8.150 nan 0.000 0.449 702 I N -0.652 119.920 120.570 0.003 0.000 2.193 702 I HA -0.177 3.993 4.170 0.000 0.000 0.240 702 I C 2.229 178.284 176.117 -0.103 0.000 1.084 702 I CA 0.987 62.266 61.300 -0.036 0.000 1.365 702 I CB -0.180 37.801 38.000 -0.032 0.000 1.064 702 I HN 0.085 nan 8.210 nan 0.000 0.410 703 K N 0.892 121.143 120.400 -0.249 0.000 2.097 703 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