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 3hbg_1_A DATA FIRST_RESID 94 DATA SEQUENCE QDPFAGDPPR HPGLRVNSQK PFNAEPPAEL LAERFLTPNE LFFTRNHLPV DATA SEQUENCE PAVEPSSYRL RVDGPGGGTL SLSLAELRSR FPKHEVTATL QSAGNRRSEM DATA SEQUENCE SRVRPVKGLP WDIGAISTAR WGGARLRDVL LHAGFPEELQ GEWHVcFEGL DATA SEQUENCE DADPGGAPYG ASIPYGRALS PAADVLLAYE MNGTELPRDH GFPVRVVVPG DATA SEQUENCE VVGARSVKWL RRVAVSPDEX XXXXXXXXXX XXXPcVDWDT XXXXXXPAIQ DATA SEQUENCE ELPVQSAVTQ PRPGAAVPPG ELTVKGYAWS GGGREVVRVD VSLDGGRTWK DATA SEQUENCE VARLMGDKAP PGRAWAWALW ELTVPVEAGT ELEIVCKAVD SSYNVQPDSV DATA SEQUENCE APIWNLRGVL STAWHRVRVS VQD 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 94 Q HA 0.000 nan 4.340 nan 0.000 0.214 94 Q C 0.000 176.017 176.000 0.029 0.000 1.003 94 Q CA 0.000 55.813 55.803 0.016 0.000 1.022 94 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 95 D N 0.837 121.259 120.400 0.036 0.000 2.359 95 D HA 0.494 5.131 4.640 -0.004 0.000 0.230 95 D C -1.778 174.542 176.300 0.033 0.000 1.118 95 D CA -1.863 52.181 54.000 0.073 0.000 0.844 95 D CB 2.012 42.868 40.800 0.093 0.000 1.059 95 D HN 0.158 nan 8.370 nan 0.000 0.493 96 P HA 0.012 nan 4.420 nan 0.000 0.225 96 P C 0.391 177.460 177.300 -0.385 0.000 1.148 96 P CA 0.727 63.690 63.100 -0.229 0.000 0.779 96 P CB 0.057 31.544 31.700 -0.355 0.000 0.780 97 F N -1.591 118.354 119.950 -0.009 0.000 2.664 97 F HA 0.379 4.903 4.527 -0.006 0.000 0.303 97 F C 2.088 177.873 175.800 -0.025 0.000 1.092 97 F CA -0.197 57.793 58.000 -0.016 0.000 1.305 97 F CB -0.627 38.377 39.000 0.007 0.000 1.054 97 F HN -0.146 nan 8.300 nan 0.000 0.565 98 A N 0.451 123.326 122.820 0.091 0.000 1.948 98 A HA -0.130 4.187 4.320 -0.004 0.000 0.220 98 A C 2.444 180.038 177.584 0.016 0.000 1.177 98 A CA 1.902 53.968 52.037 0.047 0.000 0.636 98 A CB -1.230 17.782 19.000 0.019 0.000 0.815 98 A HN 0.400 nan 8.150 nan 0.000 0.449 99 G N -0.854 107.940 108.800 -0.011 0.000 3.088 99 G HA2 0.246 4.203 3.960 -0.004 0.000 0.212 99 G HA3 0.246 4.203 3.960 -0.004 0.000 0.212 99 G C -0.308 174.571 174.900 -0.035 0.000 1.173 99 G CA 0.054 45.135 45.100 -0.032 0.000 0.779 99 G HN 0.370 nan 8.290 nan 0.000 0.540 100 D N 1.565 121.963 120.400 -0.003 0.000 2.423 100 D HA 0.247 4.884 4.640 -0.004 0.000 0.238 100 D C -1.594 174.671 176.300 -0.057 0.000 1.142 100 D CA -0.937 53.055 54.000 -0.013 0.000 0.884 100 D CB 1.283 42.115 40.800 0.054 0.000 1.199 100 D HN 0.108 nan 8.370 nan 0.000 0.438 101 P HA 0.246 nan 4.420 nan 0.000 0.274 101 P C -2.653 174.560 177.300 -0.145 0.000 1.237 101 P CA -1.177 61.864 63.100 -0.099 0.000 0.793 101 P CB -0.172 31.475 31.700 -0.088 0.000 0.977 102 P HA 0.385 nan 4.420 nan 0.000 0.274 102 P C -0.390 176.824 177.300 -0.144 0.000 1.231 102 P CA -0.160 62.866 63.100 -0.123 0.000 0.790 102 P CB 0.565 32.222 31.700 -0.072 0.000 0.951 103 R N -0.248 120.158 120.500 -0.157 0.000 2.892 103 R HA 0.372 4.709 4.340 -0.004 0.000 0.265 103 R C 0.007 176.327 176.300 0.032 0.000 1.025 103 R CA -0.775 55.268 56.100 -0.096 0.000 0.982 103 R CB 0.553 30.706 30.300 -0.244 0.000 1.185 103 R HN 0.558 nan 8.270 nan 0.000 0.484 104 H N 2.367 121.452 119.070 0.026 0.000 2.964 104 H HA 0.100 4.653 4.556 -0.004 0.000 0.328 104 H C -1.986 173.383 175.328 0.069 0.000 1.030 104 H CA -1.156 54.921 56.048 0.049 0.000 1.445 104 H CB 0.865 30.668 29.762 0.069 0.000 1.449 104 H HN 0.241 nan 8.280 nan 0.000 0.581 105 P HA 0.117 nan 4.420 nan 0.000 0.272 105 P C 0.548 177.777 177.300 -0.118 0.000 1.223 105 P CA 0.661 63.648 63.100 -0.189 0.000 0.784 105 P CB 0.568 32.138 31.700 -0.217 0.000 0.923 106 G N -0.363 108.445 108.800 0.014 0.000 2.157 106 G HA2 -0.210 3.747 3.960 -0.004 0.000 0.248 106 G HA3 -0.210 3.747 3.960 -0.004 0.000 0.248 106 G C -0.170 174.814 174.900 0.139 0.000 0.979 106 G CA -0.437 44.707 45.100 0.072 0.000 0.650 106 G HN 0.424 nan 8.290 nan 0.000 0.529 107 L N 0.232 121.561 121.223 0.177 0.000 2.452 107 L HA 0.464 4.801 4.340 -0.004 0.000 0.267 107 L C 1.333 178.276 176.870 0.121 0.000 1.188 107 L CA -0.259 54.695 54.840 0.190 0.000 0.821 107 L CB 0.737 42.959 42.059 0.272 0.000 1.102 107 L HN 0.296 nan 8.230 nan 0.000 0.470 108 R N 1.894 122.453 120.500 0.099 0.000 2.248 108 R HA 0.347 4.685 4.340 -0.004 0.000 0.337 108 R C -1.400 174.887 176.300 -0.021 0.000 1.106 108 R CA -0.417 55.709 56.100 0.044 0.000 0.959 108 R CB 0.174 30.507 30.300 0.055 0.000 1.075 108 R HN 0.430 nan 8.270 nan 0.000 0.480 109 V N 5.956 125.830 119.914 -0.067 0.000 2.408 109 V HA 0.058 4.176 4.120 -0.004 0.000 0.267 109 V C 0.734 176.682 176.094 -0.244 0.000 1.047 109 V CA -0.410 61.770 62.300 -0.200 0.000 0.937 109 V CB 1.166 32.911 31.823 -0.129 0.000 0.999 109 V HN 0.808 nan 8.190 nan 0.000 0.472 110 N N 2.332 120.805 118.700 -0.378 0.000 2.395 110 N HA 0.021 4.758 4.740 -0.004 0.000 0.175 110 N C 0.616 175.907 175.510 -0.364 0.000 1.029 110 N CA 0.468 53.268 53.050 -0.417 0.000 0.897 110 N CB 0.708 38.770 38.487 -0.710 0.000 0.991 110 N HN 0.614 nan 8.380 nan 0.000 0.441 111 S N -0.495 114.973 115.700 -0.387 0.000 2.566 111 S HA 0.249 4.717 4.470 -0.004 0.000 0.273 111 S C 0.163 174.592 174.600 -0.286 0.000 1.157 111 S CA -0.516 57.509 58.200 -0.291 0.000 0.938 111 S CB 2.101 65.144 63.200 -0.263 0.000 1.087 111 S HN -0.065 nan 8.310 nan 0.000 0.474 112 Q N 3.209 122.904 119.800 -0.174 0.000 2.134 112 Q HA 0.348 4.686 4.340 -0.004 0.000 0.195 112 Q C -0.489 175.424 176.000 -0.145 0.000 0.958 112 Q CA 1.495 57.268 55.803 -0.050 0.000 0.840 112 Q CB 0.246 28.967 28.738 -0.029 0.000 0.918 112 Q HN 0.661 nan 8.270 nan 0.000 0.467 113 K N 1.619 121.793 120.400 -0.375 0.000 2.621 113 K HA 0.363 4.680 4.320 -0.004 0.000 0.233 113 K C -2.573 173.602 176.600 -0.709 0.000 0.972 113 K CA -1.749 53.957 56.287 -0.968 0.000 0.988 113 K CB 2.023 33.869 32.500 -1.090 0.000 1.187 113 K HN 0.150 nan 8.250 nan 0.000 0.471 114 P HA 0.086 nan 4.420 nan 0.000 0.274 114 P C -0.741 176.517 177.300 -0.070 0.000 1.246 114 P CA -0.499 62.491 63.100 -0.183 0.000 0.795 114 P CB 0.607 32.443 31.700 0.227 0.000 1.006 115 F N 2.134 122.050 119.950 -0.057 0.000 2.445 115 F HA 0.267 4.792 4.527 -0.003 0.000 0.359 115 F C 0.166 175.988 175.800 0.036 0.000 1.101 115 F CA 0.115 58.098 58.000 -0.029 0.000 1.177 115 F CB 0.089 39.095 39.000 0.011 0.000 1.110 115 F HN 0.162 nan 8.300 nan 0.000 0.522 116 N N 5.369 123.738 118.700 -0.552 0.000 2.500 116 N HA 0.650 5.387 4.740 -0.004 0.000 0.291 116 N C -1.571 173.624 175.510 -0.526 0.000 1.092 116 N CA -0.483 52.384 53.050 -0.305 0.000 0.890 116 N CB 1.878 40.225 38.487 -0.232 0.000 1.466 116 N HN 0.641 nan 8.380 nan 0.000 0.507 117 A N 1.676 124.399 122.820 -0.162 0.000 2.606 117 A HA 0.646 4.964 4.320 -0.004 0.000 0.293 117 A C -1.259 176.554 177.584 0.382 0.000 1.082 117 A CA -0.755 51.239 52.037 -0.072 0.000 0.685 117 A CB 1.913 20.729 19.000 -0.308 0.000 1.284 117 A HN 0.646 nan 8.150 nan 0.000 0.408 118 E N 1.135 121.523 120.200 0.314 0.000 2.343 118 E HA 0.708 5.055 4.350 -0.004 0.000 0.270 118 E C -2.956 173.768 176.600 0.205 0.000 0.895 118 E CA -2.245 54.349 56.400 0.324 0.000 0.767 118 E CB 2.558 32.454 29.700 0.326 0.000 1.248 118 E HN 0.349 nan 8.360 nan 0.000 0.440 119 P HA 0.136 nan 4.420 nan 0.000 0.272 119 P C -2.343 175.020 177.300 0.104 0.000 1.223 119 P CA -1.204 61.971 63.100 0.126 0.000 0.784 119 P CB -0.245 31.504 31.700 0.082 0.000 0.923 120 P HA 0.022 nan 4.420 nan 0.000 0.271 120 P C 0.637 177.977 177.300 0.068 0.000 1.218 120 P CA 0.051 63.199 63.100 0.080 0.000 0.780 120 P CB 0.416 32.161 31.700 0.076 0.000 0.901 121 A N 3.633 126.493 122.820 0.067 0.000 1.978 121 A HA -0.199 4.119 4.320 -0.004 0.000 0.220 121 A C 1.798 179.404 177.584 0.037 0.000 1.170 121 A CA 1.391 53.466 52.037 0.064 0.000 0.636 121 A CB -0.957 18.090 19.000 0.077 0.000 0.810 121 A HN 0.658 nan 8.150 nan 0.000 0.448 122 E N 0.314 120.534 120.200 0.032 0.000 2.338 122 E HA -0.110 4.238 4.350 -0.004 0.000 0.197 122 E C 1.511 178.115 176.600 0.007 0.000 1.007 122 E CA 0.915 57.324 56.400 0.014 0.000 0.849 122 E CB -0.422 29.289 29.700 0.019 0.000 0.774 122 E HN 0.687 nan 8.360 nan 0.000 0.506 123 L N -0.139 121.096 121.223 0.020 0.000 2.609 123 L HA 0.115 4.452 4.340 -0.004 0.000 0.230 123 L C 2.169 179.047 176.870 0.014 0.000 1.087 123 L CA -0.194 54.656 54.840 0.017 0.000 0.874 123 L CB -0.063 42.015 42.059 0.032 0.000 1.114 123 L HN 0.036 nan 8.230 nan 0.000 0.488 124 L N 1.245 122.480 121.223 0.021 0.000 2.012 124 L HA -0.129 4.208 4.340 -0.004 0.000 0.210 124 L C 2.140 178.999 176.870 -0.019 0.000 1.073 124 L CA 2.215 57.078 54.840 0.039 0.000 0.748 124 L CB -0.403 41.690 42.059 0.057 0.000 0.891 124 L HN 0.173 nan 8.230 nan 0.000 0.431 125 A N -1.969 120.782 122.820 -0.115 0.000 2.460 125 A HA 0.165 4.483 4.320 -0.004 0.000 0.258 125 A C 1.666 179.155 177.584 -0.159 0.000 1.300 125 A CA -0.170 51.714 52.037 -0.256 0.000 0.913 125 A CB -0.390 18.406 19.000 -0.340 0.000 1.031 125 A HN 0.400 nan 8.150 nan 0.000 0.512 126 E N 0.424 120.583 120.200 -0.069 0.000 2.299 126 E HA 0.031 4.378 4.350 -0.004 0.000 0.193 126 E C 0.215 176.818 176.600 0.004 0.000 0.998 126 E CA 0.645 57.023 56.400 -0.036 0.000 0.851 126 E CB 0.205 29.895 29.700 -0.017 0.000 0.795 126 E HN 0.563 nan 8.360 nan 0.000 0.492 127 R N -0.652 119.872 120.500 0.041 0.000 2.621 127 R HA 0.220 4.557 4.340 -0.004 0.000 0.284 127 R C 0.338 176.765 176.300 0.212 0.000 0.998 127 R CA -0.459 55.705 56.100 0.107 0.000 0.895 127 R CB 1.050 31.401 30.300 0.086 0.000 1.195 127 R HN -0.094 nan 8.270 nan 0.000 0.450 128 F N 2.501 122.524 119.950 0.122 0.000 2.134 128 F HA 0.019 4.544 4.527 -0.003 0.000 0.299 128 F C 0.232 176.249 175.800 0.363 0.000 1.097 128 F CA 1.308 59.469 58.000 0.269 0.000 1.264 128 F CB 0.333 39.442 39.000 0.180 0.000 1.001 128 F HN 0.251 nan 8.300 nan 0.000 0.479 129 L N 1.679 122.985 121.223 0.138 0.000 2.264 129 L HA 0.259 4.597 4.340 -0.004 0.000 0.289 129 L C 0.108 176.972 176.870 -0.010 0.000 1.044 129 L CA -0.673 54.137 54.840 -0.049 0.000 0.807 129 L CB 1.099 43.146 42.059 -0.020 0.000 1.192 129 L HN -0.146 nan 8.230 nan 0.000 0.425 130 T N 4.189 118.704 114.554 -0.065 0.000 2.834 130 T HA 0.173 4.520 4.350 -0.004 0.000 0.298 130 T C -2.262 172.430 174.700 -0.013 0.000 0.966 130 T CA -0.997 61.088 62.100 -0.025 0.000 1.141 130 T CB 0.494 69.276 68.868 -0.142 0.000 0.905 130 T HN 0.310 nan 8.240 nan 0.000 0.535 131 P HA 0.098 nan 4.420 nan 0.000 0.266 131 P C 0.729 178.009 177.300 -0.034 0.000 1.195 131 P CA -0.248 62.825 63.100 -0.045 0.000 0.768 131 P CB 0.479 32.145 31.700 -0.057 0.000 0.838 132 N N 2.400 121.049 118.700 -0.085 0.000 2.137 132 N HA -0.198 4.540 4.740 -0.004 0.000 0.190 132 N C 1.441 176.961 175.510 0.016 0.000 1.017 132 N CA 1.287 54.270 53.050 -0.112 0.000 0.859 132 N CB -0.451 37.954 38.487 -0.135 0.000 1.002 132 N HN 0.599 nan 8.380 nan 0.000 0.428 133 E N 0.588 120.790 120.200 0.003 0.000 2.274 133 E HA -0.111 4.236 4.350 -0.004 0.000 0.194 133 E C 1.532 178.167 176.600 0.059 0.000 0.996 133 E CA 0.716 57.134 56.400 0.030 0.000 0.840 133 E CB -0.340 29.317 29.700 -0.072 0.000 0.772 133 E HN 0.409 nan 8.360 nan 0.000 0.491 134 L N -0.373 120.871 121.223 0.035 0.000 2.556 134 L HA 0.239 4.577 4.340 -0.004 0.000 0.226 134 L C 0.785 177.747 176.870 0.153 0.000 1.089 134 L CA -0.507 54.378 54.840 0.074 0.000 0.864 134 L CB -0.005 42.054 42.059 0.001 0.000 1.067 134 L HN -0.062 nan 8.230 nan 0.000 0.477 135 F N 2.430 122.375 119.950 -0.008 0.000 2.612 135 F HA -0.047 4.477 4.527 -0.005 0.000 0.389 135 F C 0.739 176.612 175.800 0.121 0.000 1.055 135 F CA -1.048 56.923 58.000 -0.049 0.000 1.232 135 F CB 0.203 38.992 39.000 -0.352 0.000 1.044 135 F HN -0.047 nan 8.300 nan 0.000 0.560 136 F N 3.995 123.928 119.950 -0.028 0.000 2.595 136 F HA 0.367 4.890 4.527 -0.006 0.000 0.359 136 F C -0.197 175.824 175.800 0.368 0.000 1.147 136 F CA -0.659 57.407 58.000 0.109 0.000 1.341 136 F CB -0.186 38.731 39.000 -0.139 0.000 1.104 136 F HN 0.353 nan 8.300 nan 0.000 0.603 137 T N 5.469 120.141 114.554 0.198 0.000 2.812 137 T HA 0.399 4.747 4.350 -0.004 0.000 0.282 137 T C -0.750 174.067 174.700 0.194 0.000 0.990 137 T CA -0.760 61.400 62.100 0.099 0.000 0.960 137 T CB 1.088 70.128 68.868 0.286 0.000 0.948 137 T HN 0.628 nan 8.240 nan 0.000 0.438 138 R N 3.481 124.013 120.500 0.053 0.000 2.422 138 R HA 0.367 4.705 4.340 -0.004 0.000 0.307 138 R C -1.423 174.940 176.300 0.106 0.000 1.004 138 R CA -0.606 55.609 56.100 0.192 0.000 0.882 138 R CB 0.487 30.909 30.300 0.202 0.000 1.164 138 R HN 0.547 nan 8.270 nan 0.000 0.489 139 N N 2.123 120.915 118.700 0.155 0.000 2.372 139 N HA 0.222 4.959 4.740 -0.004 0.000 0.291 139 N C 0.250 175.832 175.510 0.119 0.000 1.024 139 N CA -0.503 52.669 53.050 0.204 0.000 0.873 139 N CB 1.451 40.119 38.487 0.302 0.000 1.206 139 N HN 0.490 nan 8.380 nan 0.000 0.486 140 H N 0.448 119.571 119.070 0.090 0.000 2.482 140 H HA 0.334 4.886 4.556 -0.006 0.000 0.286 140 H C 0.088 175.554 175.328 0.230 0.000 1.017 140 H CA 0.919 57.059 56.048 0.154 0.000 1.322 140 H CB 0.523 30.329 29.762 0.073 0.000 1.426 140 H HN 0.341 nan 8.280 nan 0.000 0.546 141 L N -1.225 120.177 121.223 0.298 0.000 2.389 141 L HA 0.420 4.758 4.340 -0.004 0.000 0.249 141 L C -2.413 174.549 176.870 0.153 0.000 1.083 141 L CA -2.569 52.402 54.840 0.219 0.000 0.876 141 L CB 1.987 44.106 42.059 0.101 0.000 1.489 141 L HN -0.208 nan 8.230 nan 0.000 0.412 142 P HA 0.035 nan 4.420 nan 0.000 0.267 142 P C -0.867 176.246 177.300 -0.312 0.000 1.200 142 P CA -0.200 62.726 63.100 -0.290 0.000 0.772 142 P CB 0.416 31.754 31.700 -0.602 0.000 0.855 143 V N 5.647 125.391 119.914 -0.285 0.000 2.470 143 V HA 0.107 4.225 4.120 -0.004 0.000 0.276 143 V C -1.808 173.936 176.094 -0.583 0.000 1.040 143 V CA -1.198 60.757 62.300 -0.574 0.000 1.008 143 V CB -0.009 31.677 31.823 -0.230 0.000 0.990 143 V HN 0.577 nan 8.190 nan 0.000 0.477 144 P HA 0.191 nan 4.420 nan 0.000 0.266 144 P C -0.535 176.611 177.300 -0.256 0.000 1.195 144 P CA 0.089 62.890 63.100 -0.499 0.000 0.768 144 P CB 0.533 31.918 31.700 -0.525 0.000 0.838 145 A N 3.324 126.071 122.820 -0.122 0.000 2.260 145 A HA 0.488 4.806 4.320 -0.004 0.000 0.312 145 A C -0.517 177.093 177.584 0.043 0.000 1.321 145 A CA -0.404 51.618 52.037 -0.024 0.000 0.928 145 A CB 0.140 19.120 19.000 -0.033 0.000 1.158 145 A HN 0.351 nan 8.150 nan 0.000 0.542 146 V N 3.318 123.315 119.914 0.138 0.000 2.409 146 V HA 0.273 4.391 4.120 -0.004 0.000 0.291 146 V C 0.150 176.377 176.094 0.220 0.000 1.020 146 V CA -0.764 61.645 62.300 0.181 0.000 0.848 146 V CB 1.552 33.486 31.823 0.186 0.000 0.990 146 V HN 0.915 nan 8.190 nan 0.000 0.430 147 E N 7.915 128.210 120.200 0.158 0.000 2.217 147 E HA 0.196 4.543 4.350 -0.004 0.000 0.279 147 E C -1.617 175.084 176.600 0.168 0.000 1.068 147 E CA -1.767 54.722 56.400 0.148 0.000 0.882 147 E CB 1.901 31.659 29.700 0.097 0.000 1.039 147 E HN 0.386 nan 8.360 nan 0.000 0.418 148 P HA -0.135 nan 4.420 nan 0.000 0.219 148 P C 1.239 178.610 177.300 0.118 0.000 1.150 148 P CA 0.986 64.165 63.100 0.131 0.000 0.814 148 P CB 0.204 32.029 31.700 0.208 0.000 0.787 149 S N 0.243 116.006 115.700 0.104 0.000 2.406 149 S HA -0.079 4.389 4.470 -0.004 0.000 0.228 149 S C 2.050 176.700 174.600 0.083 0.000 1.020 149 S CA 1.371 59.619 58.200 0.080 0.000 0.965 149 S CB -1.349 61.886 63.200 0.058 0.000 0.798 149 S HN 0.296 nan 8.310 nan 0.000 0.488 150 S N -0.475 115.281 115.700 0.093 0.000 2.524 150 S HA 0.184 4.651 4.470 -0.004 0.000 0.216 150 S C 0.416 175.066 174.600 0.082 0.000 0.987 150 S CA -0.703 57.540 58.200 0.071 0.000 0.909 150 S CB -0.926 62.308 63.200 0.057 0.000 0.781 150 S HN 0.604 nan 8.310 nan 0.000 0.521 151 Y N 3.818 124.121 120.300 0.004 0.000 2.717 151 Y HA 0.336 4.883 4.550 -0.005 0.000 0.330 151 Y C 0.149 176.046 175.900 -0.006 0.000 1.217 151 Y CA -0.049 58.047 58.100 -0.008 0.000 1.506 151 Y CB 0.384 38.819 38.460 -0.042 0.000 1.268 151 Y HN 0.066 nan 8.280 nan 0.000 0.561 152 R N 6.598 126.643 120.500 -0.758 0.000 2.575 152 R HA 0.349 4.686 4.340 -0.004 0.000 0.293 152 R C -1.878 173.934 176.300 -0.813 0.000 0.983 152 R CA -1.268 54.461 56.100 -0.618 0.000 0.887 152 R CB 1.739 31.887 30.300 -0.253 0.000 1.184 152 R HN 0.769 nan 8.270 nan 0.000 0.445 153 L N 3.060 123.964 121.223 -0.531 0.000 2.260 153 L HA 0.420 4.757 4.340 -0.004 0.000 0.289 153 L C 0.214 177.027 176.870 -0.095 0.000 1.057 153 L CA -0.144 54.550 54.840 -0.245 0.000 0.811 153 L CB 0.658 42.699 42.059 -0.030 0.000 1.184 153 L HN 0.493 nan 8.230 nan 0.000 0.429 154 R N 4.362 124.827 120.500 -0.058 0.000 2.265 154 R HA 0.614 4.952 4.340 -0.004 0.000 0.314 154 R C -1.600 174.727 176.300 0.045 0.000 1.053 154 R CA -0.479 55.620 56.100 -0.002 0.000 0.931 154 R CB 0.859 31.158 30.300 -0.001 0.000 1.024 154 R HN 0.570 nan 8.270 nan 0.000 0.457 155 V N 5.202 125.159 119.914 0.071 0.000 2.407 155 V HA 0.327 4.445 4.120 -0.004 0.000 0.291 155 V C -0.813 175.369 176.094 0.146 0.000 1.018 155 V CA -0.637 61.733 62.300 0.117 0.000 0.842 155 V CB 1.390 33.297 31.823 0.140 0.000 0.996 155 V HN 1.033 nan 8.190 nan 0.000 0.426 156 D N 2.625 123.127 120.400 0.169 0.000 2.610 156 D HA 0.909 5.546 4.640 -0.004 0.000 0.271 156 D C -0.246 176.235 176.300 0.302 0.000 1.174 156 D CA -0.417 53.698 54.000 0.192 0.000 0.949 156 D CB 2.233 43.099 40.800 0.110 0.000 1.430 156 D HN 0.947 nan 8.370 nan 0.000 0.467 157 G N -1.319 107.672 108.800 0.318 0.000 2.358 157 G HA2 0.318 4.275 3.960 -0.004 0.000 0.303 157 G HA3 0.318 4.275 3.960 -0.004 0.000 0.303 157 G C -2.461 172.628 174.900 0.316 0.000 1.537 157 G CA -0.744 44.593 45.100 0.395 0.000 0.928 157 G HN 0.374 nan 8.290 nan 0.000 0.656 158 P HA -0.051 nan 4.420 nan 0.000 0.217 158 P C 1.555 178.915 177.300 0.099 0.000 1.162 158 P CA 2.281 65.502 63.100 0.202 0.000 0.901 158 P CB 0.233 32.126 31.700 0.321 0.000 0.793 159 G N -2.106 106.734 108.800 0.068 0.000 4.098 159 G HA2 0.398 4.355 3.960 -0.004 0.000 0.300 159 G HA3 0.398 4.355 3.960 -0.004 0.000 0.300 159 G C 0.817 175.428 174.900 -0.481 0.000 1.187 159 G CA 0.300 45.319 45.100 -0.135 0.000 0.964 159 G HN 0.368 nan 8.290 nan 0.000 0.559 160 G N -0.113 108.345 108.800 -0.571 0.000 2.710 160 G HA2 0.515 4.472 3.960 -0.004 0.000 0.215 160 G HA3 0.515 4.472 3.960 -0.004 0.000 0.215 160 G C 0.721 175.374 174.900 -0.412 0.000 1.345 160 G CA 0.417 44.934 45.100 -0.972 0.000 0.812 160 G HN 1.453 nan 8.290 nan 0.000 0.606 161 G N -0.649 108.033 108.800 -0.197 0.000 3.233 161 G HA2 0.219 4.176 3.960 -0.004 0.000 0.686 161 G HA3 0.219 4.176 3.960 -0.004 0.000 0.686 161 G C -0.394 174.481 174.900 -0.042 0.000 1.153 161 G CA -0.312 44.726 45.100 -0.103 0.000 0.853 161 G HN 0.735 nan 8.290 nan 0.000 0.582 162 T N 3.088 117.640 114.554 -0.004 0.000 2.834 162 T HA 0.490 4.837 4.350 -0.004 0.000 0.298 162 T C 1.019 175.741 174.700 0.036 0.000 0.966 162 T CA 0.105 62.223 62.100 0.029 0.000 1.141 162 T CB 0.625 69.508 68.868 0.026 0.000 0.905 162 T HN 0.570 nan 8.240 nan 0.000 0.535 163 L N 2.388 123.650 121.223 0.065 0.000 2.334 163 L HA 0.624 4.962 4.340 -0.004 0.000 0.275 163 L C 0.564 177.469 176.870 0.057 0.000 1.036 163 L CA -0.779 54.110 54.840 0.082 0.000 0.807 163 L CB 1.729 43.874 42.059 0.143 0.000 1.231 163 L HN 0.537 nan 8.230 nan 0.000 0.438 164 S N 3.423 119.151 115.700 0.046 0.000 2.653 164 S HA 0.563 5.030 4.470 -0.004 0.000 0.272 164 S C -0.766 173.845 174.600 0.018 0.000 1.221 164 S CA -0.571 57.634 58.200 0.009 0.000 1.149 164 S CB 0.115 63.311 63.200 -0.008 0.000 1.029 164 S HN 0.437 nan 8.310 nan 0.000 0.481 165 L N 4.502 125.734 121.223 0.016 0.000 2.272 165 L HA 0.489 4.826 4.340 -0.004 0.000 0.289 165 L C 0.857 177.742 176.870 0.025 0.000 1.032 165 L CA -0.643 54.233 54.840 0.061 0.000 0.810 165 L CB 1.654 43.785 42.059 0.119 0.000 1.205 165 L HN 0.693 nan 8.230 nan 0.000 0.422 166 S N 2.249 117.979 115.700 0.050 0.000 2.614 166 S HA 0.146 4.614 4.470 -0.004 0.000 0.265 166 S C 0.865 175.542 174.600 0.129 0.000 1.303 166 S CA -0.690 57.555 58.200 0.075 0.000 1.000 166 S CB 1.253 64.484 63.200 0.052 0.000 0.935 166 S HN 0.574 nan 8.310 nan 0.000 0.551 167 L N 1.684 123.007 121.223 0.166 0.000 2.046 167 L HA 0.070 4.408 4.340 -0.004 0.000 0.208 167 L C 2.611 179.452 176.870 -0.048 0.000 1.077 167 L CA 2.366 57.236 54.840 0.051 0.000 0.747 167 L CB -1.626 40.411 42.059 -0.036 0.000 0.896 167 L HN 0.942 nan 8.230 nan 0.000 0.432 168 A N -0.943 121.864 122.820 -0.022 0.000 1.908 168 A HA -0.280 4.038 4.320 -0.004 0.000 0.218 168 A C 2.353 179.917 177.584 -0.034 0.000 1.181 168 A CA 1.945 53.955 52.037 -0.045 0.000 0.627 168 A CB -0.719 18.270 19.000 -0.019 0.000 0.818 168 A HN 0.619 nan 8.150 nan 0.000 0.445 169 E N -0.423 119.784 120.200 0.012 0.000 2.106 169 E HA -0.105 4.243 4.350 -0.004 0.000 0.192 169 E C 1.955 178.626 176.600 0.118 0.000 0.984 169 E CA 0.716 57.138 56.400 0.035 0.000 0.806 169 E CB -0.158 29.580 29.700 0.063 0.000 0.750 169 E HN 0.632 nan 8.360 nan 0.000 0.458 170 L N 0.289 121.604 121.223 0.153 0.000 2.083 170 L HA -0.179 4.158 4.340 -0.004 0.000 0.209 170 L C 2.682 179.665 176.870 0.187 0.000 1.083 170 L CA 1.207 56.198 54.840 0.252 0.000 0.752 170 L CB -0.189 41.964 42.059 0.156 0.000 0.899 170 L HN 0.079 nan 8.230 nan 0.000 0.433 171 R N -0.864 119.570 120.500 -0.110 0.000 2.119 171 R HA -0.082 4.255 4.340 -0.004 0.000 0.222 171 R C 2.418 178.700 176.300 -0.030 0.000 1.088 171 R CA 1.514 57.467 56.100 -0.245 0.000 0.984 171 R CB -0.081 29.967 30.300 -0.420 0.000 0.884 171 R HN 0.439 nan 8.270 nan 0.000 0.447 172 S N -0.475 115.207 115.700 -0.030 0.000 2.497 172 S HA 0.117 4.585 4.470 -0.004 0.000 0.221 172 S C 1.750 176.286 174.600 -0.106 0.000 1.037 172 S CA -0.308 57.861 58.200 -0.051 0.000 0.920 172 S CB 0.313 63.476 63.200 -0.062 0.000 0.800 172 S HN 0.132 nan 8.310 nan 0.000 0.505 173 R N -0.183 120.196 120.500 -0.202 0.000 2.280 173 R HA 0.363 4.700 4.340 -0.004 0.000 0.195 173 R C -0.919 174.884 176.300 -0.827 0.000 0.935 173 R CA 0.277 56.044 56.100 -0.556 0.000 1.033 173 R CB 0.154 29.967 30.300 -0.812 0.000 0.964 173 R HN 0.402 nan 8.270 nan 0.000 0.489 174 F N 0.720 120.657 119.950 -0.022 0.000 2.540 174 F HA 0.384 4.910 4.527 -0.003 0.000 0.317 174 F C -2.136 173.702 175.800 0.064 0.000 1.104 174 F CA -3.312 54.698 58.000 0.017 0.000 0.913 174 F CB 1.117 40.136 39.000 0.033 0.000 1.170 174 F HN -0.272 nan 8.300 nan 0.000 0.450 175 P HA 0.020 nan 4.420 nan 0.000 0.264 175 P C -0.700 176.697 177.300 0.161 0.000 1.193 175 P CA -0.347 62.831 63.100 0.130 0.000 0.763 175 P CB 0.582 32.343 31.700 0.100 0.000 0.810 176 K N 3.600 124.047 120.400 0.079 0.000 2.322 176 K HA 0.128 4.446 4.320 -0.004 0.000 0.283 176 K C -0.306 176.240 176.600 -0.090 0.000 1.042 176 K CA -0.202 56.140 56.287 0.090 0.000 0.958 176 K CB 0.221 32.799 32.500 0.130 0.000 0.984 176 K HN 0.559 nan 8.250 nan 0.000 0.473 177 H N 2.526 121.604 119.070 0.013 0.000 2.621 177 H HA 0.266 4.820 4.556 -0.003 0.000 0.360 177 H C -0.674 174.647 175.328 -0.012 0.000 1.163 177 H CA -0.814 55.239 56.048 0.009 0.000 1.194 177 H CB 1.843 31.609 29.762 0.008 0.000 1.649 177 H HN 0.585 nan 8.280 nan 0.000 0.532 178 E N 2.142 122.416 120.200 0.124 0.000 2.176 178 E HA 0.353 4.700 4.350 -0.004 0.000 0.267 178 E C -0.862 175.819 176.600 0.136 0.000 0.893 178 E CA -0.804 55.649 56.400 0.089 0.000 0.761 178 E CB 2.924 32.657 29.700 0.056 0.000 1.133 178 E HN 0.198 nan 8.360 nan 0.000 0.409 179 V N 2.428 122.429 119.914 0.145 0.000 2.525 179 V HA 0.244 4.361 4.120 -0.004 0.000 0.299 179 V C -0.106 176.134 176.094 0.244 0.000 1.034 179 V CA -0.760 61.659 62.300 0.199 0.000 0.863 179 V CB 2.074 33.970 31.823 0.121 0.000 0.999 179 V HN 0.586 nan 8.190 nan 0.000 0.423 180 T N 4.784 119.494 114.554 0.260 0.000 2.729 180 T HA 0.688 5.036 4.350 -0.004 0.000 0.296 180 T C 0.087 174.979 174.700 0.320 0.000 0.928 180 T CA -0.035 62.196 62.100 0.219 0.000 1.045 180 T CB 0.929 69.940 68.868 0.237 0.000 0.902 180 T HN 0.979 nan 8.240 nan 0.000 0.500 181 A N 3.216 126.224 122.820 0.312 0.000 2.455 181 A HA 0.701 5.019 4.320 -0.004 0.000 0.300 181 A C 0.043 177.747 177.584 0.200 0.000 1.040 181 A CA -0.847 51.391 52.037 0.335 0.000 0.697 181 A CB 1.354 20.494 19.000 0.233 0.000 1.265 181 A HN 0.588 nan 8.150 nan 0.000 0.407 182 T N 2.851 117.413 114.554 0.013 0.000 2.806 182 T HA 0.507 4.854 4.350 -0.004 0.000 0.290 182 T C -0.147 174.352 174.700 -0.335 0.000 0.966 182 T CA 0.101 61.965 62.100 -0.394 0.000 1.060 182 T CB 0.089 68.473 68.868 -0.806 0.000 0.927 182 T HN 0.424 nan 8.240 nan 0.000 0.485 183 L N 3.637 124.725 121.223 -0.225 0.000 2.295 183 L HA 0.533 4.871 4.340 -0.004 0.000 0.285 183 L C 0.208 176.898 176.870 -0.299 0.000 1.035 183 L CA -0.597 54.165 54.840 -0.130 0.000 0.806 183 L CB 1.444 43.612 42.059 0.181 0.000 1.214 183 L HN 0.527 nan 8.230 nan 0.000 0.426 184 Q N 2.211 121.770 119.800 -0.402 0.000 2.304 184 Q HA 0.289 4.627 4.340 -0.004 0.000 0.270 184 Q C -0.818 174.982 176.000 -0.333 0.000 1.035 184 Q CA -0.450 55.032 55.803 -0.535 0.000 0.781 184 Q CB 2.402 30.756 28.738 -0.640 0.000 1.261 184 Q HN 0.647 nan 8.270 nan 0.000 0.444 185 S N 2.348 117.742 115.700 -0.510 0.000 2.562 185 S HA 0.196 4.664 4.470 -0.004 0.000 0.281 185 S C 1.180 175.631 174.600 -0.248 0.000 1.333 185 S CA 0.568 58.547 58.200 -0.368 0.000 1.052 185 S CB 0.954 63.704 63.200 -0.750 0.000 0.884 185 S HN 0.762 nan 8.310 nan 0.000 0.506 186 A N 4.155 126.919 122.820 -0.094 0.000 2.032 186 A HA 0.041 4.359 4.320 -0.004 0.000 0.221 186 A C 1.853 179.416 177.584 -0.035 0.000 1.165 186 A CA 1.727 53.750 52.037 -0.023 0.000 0.645 186 A CB -1.095 17.931 19.000 0.044 0.000 0.807 186 A HN 1.112 nan 8.150 nan 0.000 0.453 187 G N -0.890 107.866 108.800 -0.073 0.000 3.284 187 G HA2 0.145 4.102 3.960 -0.004 0.000 0.236 187 G HA3 0.145 4.102 3.960 -0.004 0.000 0.236 187 G C 0.353 175.225 174.900 -0.047 0.000 1.158 187 G CA -0.052 45.061 45.100 0.023 0.000 0.774 187 G HN 0.440 nan 8.290 nan 0.000 0.545 188 N N 1.447 120.000 118.700 -0.245 0.000 2.292 188 N HA -0.055 4.682 4.740 -0.004 0.000 0.258 188 N C 1.105 176.605 175.510 -0.016 0.000 1.261 188 N CA 0.354 53.276 53.050 -0.214 0.000 0.845 188 N CB -0.007 38.318 38.487 -0.270 0.000 1.064 188 N HN 0.369 nan 8.380 nan 0.000 0.471 189 R N 0.302 120.832 120.500 0.050 0.000 3.878 189 R HA -0.271 4.067 4.340 -0.004 0.000 0.330 189 R C 1.197 177.558 176.300 0.102 0.000 1.186 189 R CA 1.014 57.158 56.100 0.074 0.000 0.885 189 R CB -1.528 28.798 30.300 0.043 0.000 1.377 189 R HN 0.684 nan 8.270 nan 0.000 0.523 190 R N 0.921 121.506 120.500 0.141 0.000 2.105 190 R HA -0.118 4.219 4.340 -0.004 0.000 0.239 190 R C 1.554 177.919 176.300 0.109 0.000 1.135 190 R CA 2.089 58.263 56.100 0.123 0.000 0.967 190 R CB -0.125 30.277 30.300 0.169 0.000 0.861 190 R HN 0.270 nan 8.270 nan 0.000 0.442 191 S N 0.764 116.532 115.700 0.113 0.000 2.380 191 S HA -0.200 4.268 4.470 -0.004 0.000 0.229 191 S C 1.542 176.209 174.600 0.112 0.000 1.043 191 S CA 1.852 60.109 58.200 0.095 0.000 1.038 191 S CB -0.196 63.056 63.200 0.086 0.000 0.872 191 S HN 0.505 nan 8.310 nan 0.000 0.456 192 E N 0.243 120.516 120.200 0.123 0.000 2.150 192 E HA -0.046 4.301 4.350 -0.004 0.000 0.193 192 E C 2.051 178.747 176.600 0.160 0.000 0.985 192 E CA 0.788 57.271 56.400 0.139 0.000 0.814 192 E CB -0.134 29.657 29.700 0.152 0.000 0.752 192 E HN 0.458 nan 8.360 nan 0.000 0.466 193 M N 0.132 119.829 119.600 0.162 0.000 2.200 193 M HA -0.116 4.361 4.480 -0.004 0.000 0.265 193 M C 2.158 178.652 176.300 0.325 0.000 1.066 193 M CA 0.997 56.438 55.300 0.235 0.000 1.127 193 M CB 0.231 32.883 32.600 0.086 0.000 1.379 193 M HN -0.027 nan 8.290 nan 0.000 0.420 194 S N -0.023 115.807 115.700 0.216 0.000 2.400 194 S HA -0.174 4.293 4.470 -0.004 0.000 0.232 194 S C 1.757 176.461 174.600 0.173 0.000 1.025 194 S CA 1.246 59.570 58.200 0.206 0.000 0.993 194 S CB -0.323 62.951 63.200 0.123 0.000 0.808 194 S HN 0.396 nan 8.310 nan 0.000 0.478 195 R N 0.600 121.186 120.500 0.144 0.000 2.115 195 R HA 0.011 4.349 4.340 -0.004 0.000 0.230 195 R C 1.993 178.341 176.300 0.081 0.000 1.111 195 R CA 0.846 57.005 56.100 0.099 0.000 0.976 195 R CB -0.336 30.020 30.300 0.093 0.000 0.870 195 R HN 0.255 nan 8.270 nan 0.000 0.445 196 V N -0.369 119.613 119.914 0.114 0.000 2.283 196 V HA -0.019 4.098 4.120 -0.004 0.000 0.243 196 V C 0.999 177.040 176.094 -0.089 0.000 1.039 196 V CA 1.389 63.704 62.300 0.025 0.000 1.016 196 V CB -0.330 31.530 31.823 0.062 0.000 0.650 196 V HN 0.249 nan 8.190 nan 0.000 0.449 197 R N -0.428 120.054 120.500 -0.030 0.000 2.561 197 R HA 0.321 4.659 4.340 -0.004 0.000 0.266 197 R C -3.149 173.311 176.300 0.267 0.000 1.091 197 R CA -1.712 54.316 56.100 -0.120 0.000 0.927 197 R CB 2.363 32.188 30.300 -0.792 0.000 1.240 197 R HN 0.040 nan 8.270 nan 0.000 0.449 198 P HA -0.044 nan 4.420 nan 0.000 0.264 198 P C -0.691 176.824 177.300 0.359 0.000 1.183 198 P CA -0.135 63.098 63.100 0.222 0.000 0.763 198 P CB 0.687 32.464 31.700 0.128 0.000 0.807 199 V N 0.409 120.469 119.914 0.244 0.000 3.158 199 V HA 0.600 4.718 4.120 -0.004 0.000 0.315 199 V C -0.455 175.684 176.094 0.076 0.000 1.148 199 V CA -1.160 61.229 62.300 0.149 0.000 1.042 199 V CB 2.138 33.972 31.823 0.018 0.000 1.101 199 V HN 0.203 nan 8.190 nan 0.000 0.448 200 K N 1.070 121.490 120.400 0.034 0.000 2.183 200 K HA 0.762 5.079 4.320 -0.004 0.000 0.274 200 K C 0.030 176.644 176.600 0.024 0.000 1.009 200 K CA 0.359 56.664 56.287 0.030 0.000 0.888 200 K CB 1.276 33.795 32.500 0.032 0.000 1.078 200 K HN 1.572 nan 8.250 nan 0.000 0.459 201 G N 1.517 110.331 108.800 0.023 0.000 2.362 201 G HA2 -0.069 3.889 3.960 -0.004 0.000 0.656 201 G HA3 -0.069 3.889 3.960 -0.004 0.000 0.656 201 G C -1.194 173.686 174.900 -0.032 0.000 1.376 201 G CA -1.277 43.839 45.100 0.027 0.000 0.971 201 G HN 0.422 nan 8.290 nan 0.000 0.636 202 L N 1.473 122.638 121.223 -0.097 0.000 2.513 202 L HA 0.285 4.622 4.340 -0.004 0.000 0.272 202 L C -1.345 175.313 176.870 -0.354 0.000 1.187 202 L CA -1.125 53.519 54.840 -0.327 0.000 0.895 202 L CB 0.490 42.175 42.059 -0.623 0.000 1.147 202 L HN 0.383 nan 8.230 nan 0.000 0.483 203 P HA -0.008 nan 4.420 nan 0.000 0.230 203 P C -0.810 176.413 177.300 -0.128 0.000 1.791 203 P CA -0.446 62.575 63.100 -0.132 0.000 1.020 203 P CB -0.345 31.306 31.700 -0.082 0.000 1.977 204 W N 1.391 122.675 121.300 -0.027 0.000 2.231 204 W HA 0.011 4.667 4.660 -0.008 0.000 0.341 204 W C 1.296 177.798 176.519 -0.027 0.000 1.298 204 W CA 0.127 57.448 57.345 -0.041 0.000 1.266 204 W CB 0.067 29.484 29.460 -0.072 0.000 1.172 204 W HN 0.255 nan 8.180 nan 0.000 0.568 205 D N 1.654 122.186 120.400 0.219 0.000 2.312 205 D HA 0.087 4.725 4.640 -0.004 0.000 0.290 205 D C 1.330 177.697 176.300 0.112 0.000 1.170 205 D CA -0.124 53.958 54.000 0.137 0.000 1.085 205 D CB 0.223 41.087 40.800 0.107 0.000 1.154 205 D HN 0.345 nan 8.370 nan 0.000 0.535 206 I N -2.413 118.201 120.570 0.074 0.000 3.684 206 I HA 0.410 4.578 4.170 -0.004 0.000 0.304 206 I C 1.148 177.315 176.117 0.083 0.000 1.278 206 I CA 0.061 61.397 61.300 0.060 0.000 1.272 206 I CB -0.011 37.983 38.000 -0.010 0.000 1.029 206 I HN 0.185 nan 8.210 nan 0.000 0.458 207 G N 1.049 109.864 108.800 0.025 0.000 3.393 207 G HA2 0.450 4.408 3.960 -0.004 0.000 0.255 207 G HA3 0.450 4.408 3.960 -0.004 0.000 0.255 207 G C 0.854 175.580 174.900 -0.289 0.000 1.097 207 G CA 0.261 45.323 45.100 -0.063 0.000 0.780 207 G HN 0.453 nan 8.290 nan 0.000 0.540 208 A N 0.901 123.419 122.820 -0.504 0.000 3.074 208 A HA 0.663 4.981 4.320 -0.004 0.000 0.251 208 A C -0.147 176.412 177.584 -1.709 0.000 1.695 208 A CA -0.123 51.120 52.037 -1.323 0.000 1.343 208 A CB -0.635 17.483 19.000 -1.470 0.000 1.078 208 A HN 0.488 nan 8.150 nan 0.000 0.644 209 I N -0.850 118.909 120.570 -1.351 0.000 2.753 209 I HA 0.483 4.650 4.170 -0.004 0.000 0.291 209 I C -1.243 174.387 176.117 -0.812 0.000 1.425 209 I CA 0.065 60.748 61.300 -1.028 0.000 1.039 209 I CB 1.970 39.471 38.000 -0.831 0.000 1.349 209 I HN 0.155 nan 8.210 nan 0.000 0.430 210 S N 2.956 118.086 115.700 -0.950 0.000 2.567 210 S HA 0.622 5.089 4.470 -0.004 0.000 0.270 210 S C -1.362 172.454 174.600 -1.306 0.000 1.152 210 S CA -0.610 56.800 58.200 -1.315 0.000 0.835 210 S CB 2.326 64.404 63.200 -1.870 0.000 1.115 210 S HN 0.634 nan 8.310 nan 0.000 0.459 211 T N 1.592 115.491 114.554 -1.091 0.000 2.861 211 T HA 0.852 5.199 4.350 -0.004 0.000 0.287 211 T C -0.776 173.743 174.700 -0.302 0.000 1.003 211 T CA -0.466 61.184 62.100 -0.751 0.000 0.977 211 T CB 1.635 69.666 68.868 -1.395 0.000 0.996 211 T HN 0.901 nan 8.240 nan 0.000 0.448 212 A N 2.402 125.025 122.820 -0.329 0.000 2.556 212 A HA 0.830 5.148 4.320 -0.004 0.000 0.294 212 A C -0.750 176.361 177.584 -0.788 0.000 1.091 212 A CA -0.988 50.618 52.037 -0.718 0.000 0.704 212 A CB 1.486 19.637 19.000 -1.416 0.000 1.300 212 A HN 0.767 nan 8.150 nan 0.000 0.406 213 R N 1.054 121.194 120.500 -0.600 0.000 2.196 213 R HA 0.365 4.703 4.340 -0.004 0.000 0.340 213 R C -1.623 174.399 176.300 -0.464 0.000 1.043 213 R CA -0.211 55.675 56.100 -0.357 0.000 0.883 213 R CB 0.339 30.551 30.300 -0.146 0.000 1.078 213 R HN 0.651 nan 8.270 nan 0.000 0.462 214 W N 2.932 124.157 121.300 -0.126 0.000 2.417 214 W HA 0.484 5.143 4.660 -0.002 0.000 0.317 214 W C 0.564 176.975 176.519 -0.181 0.000 1.121 214 W CA -0.684 56.548 57.345 -0.189 0.000 1.208 214 W CB 1.810 31.133 29.460 -0.228 0.000 1.253 214 W HN 0.658 nan 8.180 nan 0.000 0.533 215 G N 0.975 109.763 108.800 -0.021 0.000 2.470 215 G HA2 0.733 4.691 3.960 -0.004 0.000 0.320 215 G HA3 0.733 4.691 3.960 -0.004 0.000 0.320 215 G C -0.610 173.983 174.900 -0.510 0.000 1.245 215 G CA -0.358 44.645 45.100 -0.161 0.000 0.935 215 G HN 0.823 nan 8.290 nan 0.000 0.476 216 G N -0.526 107.959 108.800 -0.526 0.000 2.341 216 G HA2 0.694 4.651 3.960 -0.004 0.000 0.299 216 G HA3 0.694 4.651 3.960 -0.004 0.000 0.299 216 G C -0.867 173.894 174.900 -0.231 0.000 1.274 216 G CA 0.127 44.706 45.100 -0.869 0.000 0.853 216 G HN 1.413 nan 8.290 nan 0.000 0.493 217 A N -0.202 122.577 122.820 -0.068 0.000 2.340 217 A HA 0.737 5.055 4.320 -0.004 0.000 0.268 217 A C 0.570 178.107 177.584 -0.078 0.000 1.100 217 A CA -0.312 51.753 52.037 0.047 0.000 0.803 217 A CB 0.363 19.373 19.000 0.017 0.000 1.043 217 A HN 0.620 nan 8.150 nan 0.000 0.488 218 R N 1.196 121.664 120.500 -0.053 0.000 2.401 218 R HA 0.112 4.449 4.340 -0.004 0.000 0.299 218 R C 1.066 177.260 176.300 -0.177 0.000 1.064 218 R CA -0.496 55.512 56.100 -0.153 0.000 1.000 218 R CB 0.432 30.615 30.300 -0.195 0.000 0.973 218 R HN 0.743 nan 8.270 nan 0.000 0.438 219 L N 4.813 125.923 121.223 -0.187 0.000 2.043 219 L HA -0.246 4.092 4.340 -0.004 0.000 0.212 219 L C 2.442 179.229 176.870 -0.137 0.000 1.075 219 L CA 1.935 56.677 54.840 -0.164 0.000 0.752 219 L CB -0.522 41.459 42.059 -0.131 0.000 0.891 219 L HN 0.647 nan 8.230 nan 0.000 0.432 220 R N -0.579 119.842 120.500 -0.132 0.000 2.113 220 R HA -0.227 4.111 4.340 -0.004 0.000 0.244 220 R C 1.858 178.137 176.300 -0.034 0.000 1.142 220 R CA 2.248 58.288 56.100 -0.101 0.000 0.953 220 R CB -0.621 29.620 30.300 -0.097 0.000 0.860 220 R HN 0.434 nan 8.270 nan 0.000 0.438 221 D N -0.061 120.326 120.400 -0.022 0.000 2.144 221 D HA -0.104 4.533 4.640 -0.004 0.000 0.200 221 D C 2.020 178.381 176.300 0.102 0.000 0.978 221 D CA 1.250 55.304 54.000 0.090 0.000 0.833 221 D CB -0.103 40.798 40.800 0.168 0.000 0.961 221 D HN 0.159 nan 8.370 nan 0.000 0.470 222 V N 1.020 120.832 119.914 -0.171 0.000 2.358 222 V HA -0.182 3.936 4.120 -0.004 0.000 0.246 222 V C 2.628 178.779 176.094 0.094 0.000 1.047 222 V CA 1.053 63.202 62.300 -0.252 0.000 1.035 222 V CB -0.409 31.139 31.823 -0.459 0.000 0.658 222 V HN 0.184 nan 8.190 nan 0.000 0.452 223 L N -0.797 120.471 121.223 0.075 0.000 2.093 223 L HA -0.152 4.186 4.340 -0.004 0.000 0.208 223 L C 2.405 179.456 176.870 0.300 0.000 1.085 223 L CA 1.363 56.327 54.840 0.207 0.000 0.755 223 L CB -0.501 41.565 42.059 0.012 0.000 0.904 223 L HN 0.298 nan 8.230 nan 0.000 0.435 224 L N -0.959 120.382 121.223 0.196 0.000 2.046 224 L HA -0.265 4.073 4.340 -0.004 0.000 0.208 224 L C 2.656 179.642 176.870 0.193 0.000 1.077 224 L CA 1.273 56.222 54.840 0.181 0.000 0.747 224 L CB -0.681 41.462 42.059 0.140 0.000 0.896 224 L HN 0.300 nan 8.230 nan 0.000 0.432 225 H N 0.106 119.280 119.070 0.173 0.000 2.387 225 H HA -0.121 4.433 4.556 -0.004 0.000 0.299 225 H C 2.052 177.452 175.328 0.120 0.000 1.090 225 H CA 1.364 57.522 56.048 0.184 0.000 1.332 225 H CB 0.137 30.121 29.762 0.371 0.000 1.386 225 H HN 0.296 nan 8.280 nan 0.000 0.516 226 A N -0.908 121.995 122.820 0.138 0.000 2.209 226 A HA 0.226 4.544 4.320 -0.004 0.000 0.212 226 A C 2.033 179.485 177.584 -0.220 0.000 1.158 226 A CA 1.066 53.103 52.037 0.000 0.000 0.742 226 A CB -0.660 18.445 19.000 0.176 0.000 0.790 226 A HN 0.794 nan 8.150 nan 0.000 0.472 227 G N -2.587 106.114 108.800 -0.164 0.000 2.179 227 G HA2 -0.188 3.770 3.960 -0.004 0.000 0.220 227 G HA3 -0.188 3.770 3.960 -0.004 0.000 0.220 227 G C -0.056 174.688 174.900 -0.259 0.000 0.990 227 G CA -0.133 44.828 45.100 -0.232 0.000 0.646 227 G HN 0.274 nan 8.290 nan 0.000 0.517 228 F N 2.635 122.586 119.950 0.001 0.000 2.429 228 F HA 0.502 5.028 4.527 -0.002 0.000 0.348 228 F C -0.743 175.073 175.800 0.027 0.000 1.109 228 F CA -1.724 56.285 58.000 0.015 0.000 1.232 228 F CB 0.761 39.814 39.000 0.088 0.000 1.157 228 F HN -0.054 nan 8.300 nan 0.000 0.564 229 P HA 0.161 nan 4.420 nan 0.000 0.280 229 P C 0.157 177.558 177.300 0.169 0.000 1.272 229 P CA -0.393 62.777 63.100 0.116 0.000 0.819 229 P CB 1.070 32.788 31.700 0.030 0.000 1.122 230 E N 0.128 120.391 120.200 0.105 0.000 2.070 230 E HA -0.156 4.192 4.350 -0.004 0.000 0.197 230 E C 0.091 176.785 176.600 0.156 0.000 1.004 230 E CA 1.570 58.028 56.400 0.096 0.000 0.805 230 E CB 0.206 29.941 29.700 0.058 0.000 0.744 230 E HN 0.577 nan 8.360 nan 0.000 0.451 231 E N -0.019 120.247 120.200 0.111 0.000 2.266 231 E HA 0.473 4.820 4.350 -0.004 0.000 0.268 231 E C -0.870 175.696 176.600 -0.056 0.000 0.879 231 E CA -0.374 56.072 56.400 0.077 0.000 0.762 231 E CB 2.124 31.851 29.700 0.045 0.000 1.199 231 E HN -0.053 nan 8.360 nan 0.000 0.422 232 L N 2.244 123.348 121.223 -0.198 0.000 2.346 232 L HA 0.323 4.661 4.340 -0.004 0.000 0.276 232 L C -0.054 176.734 176.870 -0.136 0.000 1.006 232 L CA -0.708 53.894 54.840 -0.397 0.000 0.817 232 L CB 1.966 43.331 42.059 -1.155 0.000 1.272 232 L HN 0.439 nan 8.230 nan 0.000 0.421 233 Q N 2.219 121.996 119.800 -0.037 0.000 2.271 233 Q HA 0.423 4.760 4.340 -0.004 0.000 0.273 233 Q C 0.261 176.406 176.000 0.242 0.000 1.051 233 Q CA 0.950 56.802 55.803 0.082 0.000 0.901 233 Q CB 0.651 29.429 28.738 0.067 0.000 1.174 233 Q HN 0.845 nan 8.270 nan 0.000 0.385 234 G N 2.943 111.866 108.800 0.204 0.000 2.655 234 G HA2 -0.157 3.801 3.960 -0.004 0.000 0.680 234 G HA3 -0.157 3.801 3.960 -0.004 0.000 0.680 234 G C -1.356 173.713 174.900 0.281 0.000 1.302 234 G CA -0.880 44.344 45.100 0.207 0.000 0.872 234 G HN 0.579 nan 8.290 nan 0.000 0.540 235 E N -0.407 119.849 120.200 0.093 0.000 2.200 235 E HA 0.592 4.940 4.350 -0.004 0.000 0.283 235 E C -0.647 175.932 176.600 -0.034 0.000 1.015 235 E CA -0.085 56.373 56.400 0.096 0.000 0.819 235 E CB 0.966 30.683 29.700 0.029 0.000 1.081 235 E HN 0.428 nan 8.360 nan 0.000 0.397 236 W N 2.117 123.399 121.300 -0.031 0.000 2.962 236 W HA 0.341 5.002 4.660 0.000 0.000 0.341 236 W C 0.441 176.997 176.519 0.061 0.000 1.155 236 W CA -0.563 56.729 57.345 -0.087 0.000 1.165 236 W CB 0.931 30.192 29.460 -0.330 0.000 1.435 236 W HN 0.416 nan 8.180 nan 0.000 0.546 237 H N -1.556 117.638 119.070 0.206 0.000 2.949 237 H HA 0.834 5.392 4.556 0.002 0.000 0.356 237 H C -1.665 173.689 175.328 0.043 0.000 1.212 237 H CA -1.162 54.947 56.048 0.102 0.000 1.136 237 H CB 1.176 30.933 29.762 -0.009 0.000 1.869 237 H HN 0.209 nan 8.280 nan 0.000 0.556 238 V N 1.294 121.195 119.914 -0.021 0.000 2.409 238 V HA 0.207 4.325 4.120 -0.004 0.000 0.291 238 V C 0.133 175.908 176.094 -0.531 0.000 1.020 238 V CA -0.677 61.449 62.300 -0.291 0.000 0.848 238 V CB 1.156 32.766 31.823 -0.355 0.000 0.990 238 V HN 0.896 nan 8.190 nan 0.000 0.430 239 c N 6.546 124.880 118.600 -0.443 0.000 2.358 239 c HA 0.805 5.373 4.570 -0.004 0.000 0.342 239 c C -0.656 173.115 174.090 -0.531 0.000 1.234 239 c CA -0.568 55.503 56.329 -0.430 0.000 1.969 239 c CB 0.028 42.485 42.510 -0.088 0.000 2.346 239 c HN 0.679 nan 8.230 nan 0.000 0.525 240 F N 3.404 123.349 119.950 -0.009 0.000 2.482 240 F HA 0.540 5.065 4.527 -0.004 0.000 0.331 240 F C 0.329 176.118 175.800 -0.019 0.000 1.115 240 F CA -0.594 57.394 58.000 -0.020 0.000 0.955 240 F CB 1.050 40.027 39.000 -0.040 0.000 1.136 240 F HN 0.527 nan 8.300 nan 0.000 0.452 241 E N 1.043 121.352 120.200 0.182 0.000 2.183 241 E HA 0.585 4.933 4.350 -0.004 0.000 0.271 241 E C 0.014 176.703 176.600 0.150 0.000 0.919 241 E CA -0.823 55.650 56.400 0.121 0.000 0.781 241 E CB 2.227 31.983 29.700 0.094 0.000 1.140 241 E HN 0.818 nan 8.360 nan 0.000 0.402 242 G N 1.374 110.271 108.800 0.162 0.000 2.502 242 G HA2 0.259 4.217 3.960 -0.004 0.000 0.305 242 G HA3 0.259 4.217 3.960 -0.004 0.000 0.305 242 G C 0.559 175.570 174.900 0.186 0.000 1.190 242 G CA -0.499 44.730 45.100 0.215 0.000 0.933 242 G HN 0.503 nan 8.290 nan 0.000 0.503 243 L N -0.073 121.281 121.223 0.218 0.000 2.395 243 L HA 0.084 4.421 4.340 -0.004 0.000 0.218 243 L C 0.659 177.557 176.870 0.045 0.000 1.130 243 L CA 0.177 55.094 54.840 0.129 0.000 0.826 243 L CB -0.261 41.881 42.059 0.138 0.000 0.941 243 L HN 0.541 nan 8.230 nan 0.000 0.451 244 D N 0.980 121.404 120.400 0.039 0.000 2.348 244 D HA 0.347 4.984 4.640 -0.004 0.000 0.253 244 D C -0.200 176.135 176.300 0.059 0.000 1.161 244 D CA -0.066 53.913 54.000 -0.036 0.000 0.876 244 D CB 1.579 42.306 40.800 -0.122 0.000 1.160 244 D HN -0.007 nan 8.370 nan 0.000 0.459 245 A N 2.687 125.547 122.820 0.067 0.000 2.365 245 A HA 0.321 4.639 4.320 -0.004 0.000 0.318 245 A C -0.060 177.640 177.584 0.194 0.000 1.091 245 A CA -0.939 51.188 52.037 0.150 0.000 0.763 245 A CB 1.200 20.264 19.000 0.107 0.000 1.248 245 A HN 0.656 nan 8.150 nan 0.000 0.442 246 D N 1.889 122.486 120.400 0.327 0.000 2.449 246 D HA 0.048 4.685 4.640 -0.004 0.000 0.236 246 D C -1.317 175.063 176.300 0.134 0.000 1.149 246 D CA -0.824 53.341 54.000 0.274 0.000 0.878 246 D CB 1.023 41.971 40.800 0.246 0.000 1.198 246 D HN 0.161 nan 8.370 nan 0.000 0.446 247 P HA -0.071 nan 4.420 nan 0.000 0.218 247 P C 1.094 178.418 177.300 0.039 0.000 1.146 247 P CA 1.074 64.204 63.100 0.051 0.000 0.813 247 P CB 0.079 31.805 31.700 0.043 0.000 0.778 248 G N -1.984 106.838 108.800 0.037 0.000 2.650 248 G HA2 0.181 4.139 3.960 -0.004 0.000 0.214 248 G HA3 0.181 4.139 3.960 -0.004 0.000 0.214 248 G C 1.188 176.106 174.900 0.030 0.000 1.136 248 G CA 0.732 45.844 45.100 0.020 0.000 0.789 248 G HN 0.430 nan 8.290 nan 0.000 0.536 249 G N -1.009 107.824 108.800 0.056 0.000 2.352 249 G HA2 0.145 4.102 3.960 -0.004 0.000 0.204 249 G HA3 0.145 4.102 3.960 -0.004 0.000 0.204 249 G C 0.623 175.582 174.900 0.099 0.000 1.004 249 G CA 0.113 45.251 45.100 0.063 0.000 0.648 249 G HN 1.279 nan 8.290 nan 0.000 0.491 250 A N 2.500 125.391 122.820 0.118 0.000 2.491 250 A HA 0.616 4.934 4.320 -0.004 0.000 0.261 250 A C -1.612 176.165 177.584 0.322 0.000 1.101 250 A CA -0.256 51.891 52.037 0.183 0.000 0.772 250 A CB -0.059 19.023 19.000 0.135 0.000 1.043 250 A HN 0.243 nan 8.150 nan 0.000 0.501 251 P HA 0.085 nan 4.420 nan 0.000 0.272 251 P C -0.407 177.028 177.300 0.226 0.000 1.223 251 P CA -0.105 63.129 63.100 0.223 0.000 0.784 251 P CB 0.253 32.034 31.700 0.135 0.000 0.923 252 Y N 1.490 121.658 120.300 -0.220 0.000 2.712 252 Y HA 0.361 4.909 4.550 -0.002 0.000 0.333 252 Y C 0.702 176.341 175.900 -0.434 0.000 1.225 252 Y CA 1.360 58.889 58.100 -0.951 0.000 1.499 252 Y CB -0.139 37.772 38.460 -0.914 0.000 1.288 252 Y HN 0.540 nan 8.280 nan 0.000 0.575 253 G N 2.730 110.848 108.800 -1.136 0.000 2.690 253 G HA2 0.792 4.749 3.960 -0.004 0.000 0.293 253 G HA3 0.792 4.749 3.960 -0.004 0.000 0.293 253 G C -2.102 172.467 174.900 -0.552 0.000 1.399 253 G CA -0.404 44.408 45.100 -0.481 0.000 0.890 253 G HN 1.020 nan 8.290 nan 0.000 0.485 254 A N -0.165 122.547 122.820 -0.179 0.000 2.610 254 A HA 0.949 5.266 4.320 -0.004 0.000 0.291 254 A C -0.257 177.313 177.584 -0.024 0.000 1.086 254 A CA 0.115 52.108 52.037 -0.073 0.000 0.677 254 A CB 1.447 20.459 19.000 0.019 0.000 1.278 254 A HN 2.195 nan 8.150 nan 0.000 0.414 255 S N -0.325 115.342 115.700 -0.055 0.000 2.632 255 S HA 0.897 5.365 4.470 -0.004 0.000 0.289 255 S C -0.471 174.101 174.600 -0.048 0.000 1.115 255 S CA -0.238 57.877 58.200 -0.140 0.000 0.889 255 S CB 1.324 64.442 63.200 -0.136 0.000 1.116 255 S HN 1.874 nan 8.310 nan 0.000 0.486 256 I N -2.789 117.744 120.570 -0.062 0.000 2.969 256 I HA 0.700 4.868 4.170 -0.004 0.000 0.307 256 I C -3.239 172.907 176.117 0.049 0.000 1.149 256 I CA -3.187 58.130 61.300 0.028 0.000 1.008 256 I CB 1.931 39.988 38.000 0.096 0.000 1.232 256 I HN 0.316 nan 8.210 nan 0.000 0.435 257 P HA 0.014 nan 4.420 nan 0.000 0.267 257 P C -0.160 177.217 177.300 0.129 0.000 1.200 257 P CA 0.198 63.374 63.100 0.127 0.000 0.772 257 P CB 0.304 32.065 31.700 0.102 0.000 0.855 258 Y N 2.745 123.080 120.300 0.058 0.000 2.207 258 Y HA -0.196 4.351 4.550 -0.006 0.000 0.287 258 Y C 2.344 178.243 175.900 -0.002 0.000 1.156 258 Y CA 2.491 60.595 58.100 0.008 0.000 1.182 258 Y CB -0.831 37.651 38.460 0.036 0.000 0.979 258 Y HN 0.488 nan 8.280 nan 0.000 0.521 259 G N -0.028 108.865 108.800 0.156 0.000 2.440 259 G HA2 -0.339 3.619 3.960 -0.004 0.000 0.218 259 G HA3 -0.339 3.619 3.960 -0.004 0.000 0.218 259 G C 1.788 176.682 174.900 -0.011 0.000 1.154 259 G CA 0.989 46.133 45.100 0.074 0.000 0.767 259 G HN 0.407 nan 8.290 nan 0.000 0.552 260 R N 0.447 120.945 120.500 -0.004 0.000 2.075 260 R HA 0.096 4.434 4.340 -0.004 0.000 0.232 260 R C 2.872 179.124 176.300 -0.080 0.000 1.126 260 R CA 1.312 57.400 56.100 -0.021 0.000 0.963 260 R CB -0.358 29.944 30.300 0.004 0.000 0.858 260 R HN 0.278 nan 8.270 nan 0.000 0.435 261 A N 0.716 123.459 122.820 -0.128 0.000 1.972 261 A HA -0.102 4.216 4.320 -0.004 0.000 0.219 261 A C 1.914 179.353 177.584 -0.240 0.000 1.169 261 A CA 0.968 52.898 52.037 -0.178 0.000 0.635 261 A CB -0.192 18.660 19.000 -0.246 0.000 0.810 261 A HN 0.290 nan 8.150 nan 0.000 0.446 262 L N -0.573 120.470 121.223 -0.300 0.000 2.513 262 L HA 0.132 4.470 4.340 -0.004 0.000 0.222 262 L C 1.277 178.076 176.870 -0.118 0.000 1.096 262 L CA 0.657 55.346 54.840 -0.251 0.000 0.857 262 L CB -0.796 41.057 42.059 -0.344 0.000 1.026 262 L HN 0.398 nan 8.230 nan 0.000 0.469 263 S N 1.116 116.767 115.700 -0.082 0.000 2.516 263 S HA 0.095 4.563 4.470 -0.004 0.000 0.282 263 S C -1.187 173.398 174.600 -0.026 0.000 1.286 263 S CA -0.973 57.211 58.200 -0.027 0.000 1.066 263 S CB 1.056 64.260 63.200 0.007 0.000 0.884 263 S HN 0.002 nan 8.310 nan 0.000 0.491 264 P HA -0.004 nan 4.420 nan 0.000 0.217 264 P C 1.167 178.480 177.300 0.022 0.000 1.150 264 P CA 1.279 64.371 63.100 -0.013 0.000 0.832 264 P CB -0.011 31.693 31.700 0.007 0.000 0.787 265 A N -0.168 122.691 122.820 0.065 0.000 2.066 265 A HA 0.111 4.429 4.320 -0.004 0.000 0.218 265 A C 2.200 179.939 177.584 0.258 0.000 1.157 265 A CA 1.378 53.498 52.037 0.138 0.000 0.670 265 A CB -1.299 17.770 19.000 0.113 0.000 0.804 265 A HN 0.189 nan 8.150 nan 0.000 0.453 266 A N -0.947 121.963 122.820 0.151 0.000 2.119 266 A HA 0.116 4.434 4.320 -0.004 0.000 0.217 266 A C 0.709 178.210 177.584 -0.138 0.000 1.153 266 A CA 1.013 53.111 52.037 0.101 0.000 0.692 266 A CB -0.251 18.749 19.000 0.001 0.000 0.799 266 A HN 0.412 nan 8.150 nan 0.000 0.458 267 D N -1.272 119.079 120.400 -0.081 0.000 2.837 267 D HA -0.125 4.513 4.640 -0.004 0.000 0.230 267 D C -0.259 175.852 176.300 -0.317 0.000 1.152 267 D CA 0.992 54.886 54.000 -0.178 0.000 0.736 267 D CB -1.980 38.754 40.800 -0.110 0.000 1.084 267 D HN 0.237 nan 8.370 nan 0.000 0.429 268 V N 0.991 120.737 119.914 -0.280 0.000 2.479 268 V HA 0.134 4.251 4.120 -0.004 0.000 0.281 268 V C 1.073 176.999 176.094 -0.280 0.000 1.031 268 V CA 0.121 62.242 62.300 -0.298 0.000 1.038 268 V CB 0.978 32.669 31.823 -0.219 0.000 0.981 268 V HN 0.093 nan 8.190 nan 0.000 0.478 269 L N 5.749 126.774 121.223 -0.330 0.000 2.342 269 L HA 0.555 4.893 4.340 -0.004 0.000 0.271 269 L C -0.378 176.285 176.870 -0.345 0.000 1.008 269 L CA -0.746 53.914 54.840 -0.300 0.000 0.818 269 L CB 2.055 43.949 42.059 -0.276 0.000 1.296 269 L HN 0.450 nan 8.230 nan 0.000 0.427 270 L N 3.171 124.223 121.223 -0.284 0.000 2.328 270 L HA 0.423 4.760 4.340 -0.004 0.000 0.280 270 L C 0.363 177.074 176.870 -0.265 0.000 1.111 270 L CA -0.275 54.407 54.840 -0.263 0.000 0.909 270 L CB 0.807 42.758 42.059 -0.180 0.000 1.277 270 L HN 0.624 nan 8.230 nan 0.000 0.433 271 A N 2.799 125.427 122.820 -0.320 0.000 2.328 271 A HA 0.450 4.768 4.320 -0.004 0.000 0.284 271 A C -0.049 177.395 177.584 -0.234 0.000 1.160 271 A CA -0.341 51.491 52.037 -0.342 0.000 0.818 271 A CB 0.174 19.023 19.000 -0.251 0.000 1.087 271 A HN 0.714 nan 8.150 nan 0.000 0.504 272 Y N 0.114 120.381 120.300 -0.055 0.000 2.500 272 Y HA 0.520 5.068 4.550 -0.004 0.000 0.246 272 Y C 0.219 176.116 175.900 -0.005 0.000 1.146 272 Y CA -0.425 57.635 58.100 -0.067 0.000 1.230 272 Y CB -0.008 38.404 38.460 -0.080 0.000 1.214 272 Y HN 0.615 nan 8.280 nan 0.000 0.526 273 E N 1.614 121.814 120.200 0.001 0.000 2.292 273 E HA 0.532 4.880 4.350 -0.004 0.000 0.272 273 E C -1.679 174.908 176.600 -0.021 0.000 0.881 273 E CA -1.040 55.382 56.400 0.036 0.000 0.754 273 E CB 2.040 31.757 29.700 0.029 0.000 1.201 273 E HN 0.290 nan 8.360 nan 0.000 0.425 274 M N 4.787 124.325 119.600 -0.103 0.000 2.165 274 M HA 0.335 4.812 4.480 -0.004 0.000 0.283 274 M C -1.171 174.922 176.300 -0.346 0.000 0.978 274 M CA -0.295 54.797 55.300 -0.345 0.000 0.948 274 M CB 1.036 33.399 32.600 -0.395 0.000 1.599 274 M HN 0.607 nan 8.290 nan 0.000 0.450 275 N N 3.631 122.089 118.700 -0.405 0.000 2.716 275 N HA -0.191 4.547 4.740 -0.004 0.000 0.250 275 N C 0.649 176.070 175.510 -0.148 0.000 1.033 275 N CA 1.779 54.669 53.050 -0.267 0.000 0.727 275 N CB -1.309 37.015 38.487 -0.271 0.000 0.950 275 N HN 1.225 nan 8.380 nan 0.000 0.541 276 G N -2.597 106.136 108.800 -0.112 0.000 2.199 276 G HA2 -0.329 3.628 3.960 -0.004 0.000 0.254 276 G HA3 -0.329 3.628 3.960 -0.004 0.000 0.254 276 G C 0.277 175.160 174.900 -0.028 0.000 0.982 276 G CA 1.350 46.419 45.100 -0.052 0.000 0.632 276 G HN 1.159 nan 8.290 nan 0.000 0.529 277 T N -2.364 112.165 114.554 -0.042 0.000 2.910 277 T HA 0.691 5.038 4.350 -0.004 0.000 0.287 277 T C -0.096 174.616 174.700 0.020 0.000 1.050 277 T CA 0.029 62.122 62.100 -0.011 0.000 1.011 277 T CB 2.508 71.361 68.868 -0.026 0.000 1.195 277 T HN 0.378 nan 8.240 nan 0.000 0.540 278 E N 0.084 120.317 120.200 0.055 0.000 2.502 278 E HA 0.099 4.447 4.350 -0.004 0.000 0.261 278 E C -0.417 176.255 176.600 0.120 0.000 0.974 278 E CA -0.528 55.947 56.400 0.125 0.000 0.936 278 E CB 0.281 30.058 29.700 0.129 0.000 0.926 278 E HN 0.519 nan 8.360 nan 0.000 0.459 279 L N 7.445 128.780 121.223 0.187 0.000 2.584 279 L HA 0.076 4.414 4.340 -0.004 0.000 0.272 279 L C -2.255 174.738 176.870 0.205 0.000 1.195 279 L CA -0.739 54.196 54.840 0.159 0.000 0.920 279 L CB 0.159 42.299 42.059 0.135 0.000 1.173 279 L HN 0.473 nan 8.230 nan 0.000 0.489 280 P HA 0.136 nan 4.420 nan 0.000 0.272 280 P C 0.290 177.685 177.300 0.157 0.000 1.230 280 P CA -0.209 62.953 63.100 0.103 0.000 0.788 280 P CB 0.518 32.307 31.700 0.147 0.000 0.949 281 R N 0.783 121.350 120.500 0.113 0.000 2.083 281 R HA -0.168 4.169 4.340 -0.004 0.000 0.237 281 R C 1.367 177.873 176.300 0.344 0.000 1.137 281 R CA 1.676 57.926 56.100 0.250 0.000 0.951 281 R CB -0.657 29.703 30.300 0.101 0.000 0.851 281 R HN 0.535 nan 8.270 nan 0.000 0.434 282 D N -0.472 119.983 120.400 0.092 0.000 2.263 282 D HA -0.109 4.529 4.640 -0.004 0.000 0.208 282 D C 1.041 177.132 176.300 -0.348 0.000 0.971 282 D CA 1.122 55.093 54.000 -0.048 0.000 0.867 282 D CB 0.016 40.639 40.800 -0.296 0.000 0.929 282 D HN 0.384 nan 8.370 nan 0.000 0.492 283 H N -1.599 117.436 119.070 -0.058 0.000 2.505 283 H HA 0.380 4.934 4.556 -0.004 0.000 0.286 283 H C 1.238 176.276 175.328 -0.483 0.000 1.072 283 H CA 0.618 56.496 56.048 -0.283 0.000 1.141 283 H CB 1.075 30.695 29.762 -0.236 0.000 1.550 283 H HN 0.140 nan 8.280 nan 0.000 0.547 284 G N 1.120 109.555 108.800 -0.608 0.000 2.159 284 G HA2 -0.243 3.715 3.960 -0.004 0.000 0.170 284 G HA3 -0.243 3.715 3.960 -0.004 0.000 0.170 284 G C -0.021 174.645 174.900 -0.390 0.000 1.007 284 G CA -0.471 43.949 45.100 -1.133 0.000 0.672 284 G HN 0.308 nan 8.290 nan 0.000 0.507 285 F N 2.695 122.595 119.950 -0.083 0.000 2.579 285 F HA 0.332 4.856 4.527 -0.004 0.000 0.397 285 F C -0.362 175.465 175.800 0.046 0.000 1.027 285 F CA -0.052 57.952 58.000 0.007 0.000 1.217 285 F CB 0.998 40.033 39.000 0.059 0.000 0.986 285 F HN 0.022 nan 8.300 nan 0.000 0.551 286 P HA 0.086 nan 4.420 nan 0.000 0.259 286 P C -0.800 176.148 177.300 -0.587 0.000 1.233 286 P CA 0.531 62.816 63.100 -1.360 0.000 0.827 286 P CB 0.740 31.467 31.700 -1.620 0.000 1.154 287 V N 1.222 120.862 119.914 -0.457 0.000 2.733 287 V HA 0.431 4.549 4.120 -0.004 0.000 0.306 287 V C -0.116 175.822 176.094 -0.260 0.000 1.084 287 V CA -0.832 61.313 62.300 -0.257 0.000 0.905 287 V CB 2.779 34.514 31.823 -0.147 0.000 1.010 287 V HN 0.107 nan 8.190 nan 0.000 0.424 288 R N 2.671 122.991 120.500 -0.301 0.000 2.854 288 R HA 0.896 5.233 4.340 -0.004 0.000 0.271 288 R C -1.571 174.463 176.300 -0.442 0.000 0.994 288 R CA -0.783 55.079 56.100 -0.397 0.000 0.945 288 R CB 2.042 32.040 30.300 -0.504 0.000 1.194 288 R HN 0.336 nan 8.270 nan 0.000 0.476 289 V N 1.816 121.411 119.914 -0.532 0.000 2.649 289 V HA 0.280 4.398 4.120 -0.004 0.000 0.292 289 V C -0.173 175.530 176.094 -0.653 0.000 1.055 289 V CA -0.592 61.313 62.300 -0.659 0.000 1.023 289 V CB 1.406 32.610 31.823 -1.032 0.000 0.992 289 V HN 0.511 nan 8.190 nan 0.000 0.480 290 V N 5.026 124.547 119.914 -0.655 0.000 2.409 290 V HA 0.366 4.484 4.120 -0.004 0.000 0.291 290 V C -0.242 175.522 176.094 -0.549 0.000 1.020 290 V CA -0.500 61.363 62.300 -0.727 0.000 0.848 290 V CB 1.913 33.129 31.823 -1.011 0.000 0.990 290 V HN 0.622 nan 8.190 nan 0.000 0.430 291 V N 7.420 127.066 119.914 -0.447 0.000 2.257 291 V HA 0.320 4.437 4.120 -0.004 0.000 0.269 291 V C -2.339 173.548 176.094 -0.345 0.000 1.040 291 V CA -1.878 60.216 62.300 -0.343 0.000 0.813 291 V CB 1.116 32.825 31.823 -0.190 0.000 1.065 291 V HN 0.708 nan 8.190 nan 0.000 0.457 292 P HA 0.259 nan 4.420 nan 0.000 0.268 292 P C 1.109 178.225 177.300 -0.307 0.000 1.205 292 P CA 1.119 63.851 63.100 -0.614 0.000 0.771 292 P CB 0.821 31.520 31.700 -1.669 0.000 0.858 293 G N 0.438 109.408 108.800 0.283 0.000 2.184 293 G HA2 -0.190 3.767 3.960 -0.004 0.000 0.264 293 G HA3 -0.190 3.767 3.960 -0.004 0.000 0.264 293 G C -0.008 175.102 174.900 0.350 0.000 0.975 293 G CA 0.011 45.410 45.100 0.498 0.000 0.642 293 G HN 0.545 nan 8.290 nan 0.000 0.536 294 V N 0.276 120.336 119.914 0.244 0.000 2.769 294 V HA 0.683 4.801 4.120 -0.004 0.000 0.312 294 V C 1.022 177.206 176.094 0.151 0.000 1.061 294 V CA -0.423 61.975 62.300 0.164 0.000 0.931 294 V CB 1.965 33.823 31.823 0.058 0.000 1.010 294 V HN 0.565 nan 8.190 nan 0.000 0.433 295 V N 3.978 123.974 119.914 0.136 0.000 2.843 295 V HA 0.083 4.200 4.120 -0.004 0.000 0.305 295 V C 1.699 177.817 176.094 0.038 0.000 1.120 295 V CA 1.566 63.918 62.300 0.086 0.000 1.254 295 V CB 1.261 33.136 31.823 0.087 0.000 0.901 295 V HN 1.124 nan 8.190 nan 0.000 0.503 296 G N 4.666 113.473 108.800 0.011 0.000 2.475 296 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.220 296 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.220 296 G C 1.595 176.510 174.900 0.025 0.000 1.125 296 G CA 1.050 46.156 45.100 0.010 0.000 0.755 296 G HN 1.354 nan 8.290 nan 0.000 0.565 297 A N 0.492 123.367 122.820 0.091 0.000 2.032 297 A HA -0.105 4.213 4.320 -0.004 0.000 0.221 297 A C 2.399 180.093 177.584 0.183 0.000 1.165 297 A CA 1.679 53.827 52.037 0.185 0.000 0.645 297 A CB -0.231 18.908 19.000 0.231 0.000 0.807 297 A HN 0.262 nan 8.150 nan 0.000 0.453 298 R N 0.150 120.705 120.500 0.093 0.000 2.246 298 R HA 0.126 4.464 4.340 -0.004 0.000 0.199 298 R C 0.298 176.599 176.300 0.002 0.000 0.984 298 R CA 0.325 56.479 56.100 0.090 0.000 1.015 298 R CB -0.867 29.480 30.300 0.079 0.000 0.930 298 R HN 0.359 nan 8.270 nan 0.000 0.475 299 S N 1.720 117.354 115.700 -0.109 0.000 3.919 299 S HA 0.154 4.622 4.470 -0.004 0.000 0.245 299 S C 0.099 174.528 174.600 -0.285 0.000 1.344 299 S CA -0.295 57.731 58.200 -0.289 0.000 0.896 299 S CB 0.240 63.208 63.200 -0.387 0.000 1.557 299 S HN -0.114 nan 8.310 nan 0.000 0.468 300 V N 4.439 124.217 119.914 -0.227 0.000 2.485 300 V HA 0.046 4.163 4.120 -0.004 0.000 0.287 300 V C 0.765 176.692 176.094 -0.279 0.000 1.022 300 V CA 0.209 62.441 62.300 -0.113 0.000 1.067 300 V CB 0.069 31.929 31.823 0.062 0.000 0.967 300 V HN 0.582 nan 8.190 nan 0.000 0.479 301 K N 4.481 124.659 120.400 -0.370 0.000 2.090 301 K HA 0.273 4.591 4.320 -0.004 0.000 0.250 301 K C -0.196 176.203 176.600 -0.335 0.000 1.004 301 K CA -0.539 55.334 56.287 -0.689 0.000 0.919 301 K CB 0.621 32.261 32.500 -1.433 0.000 1.045 301 K HN 0.714 nan 8.250 nan 0.000 0.471 302 W N 1.142 122.393 121.300 -0.082 0.000 6.111 302 W HA -0.211 4.446 4.660 -0.006 0.000 0.409 302 W C -0.380 176.153 176.519 0.023 0.000 1.586 302 W CA -0.429 56.891 57.345 -0.042 0.000 1.027 302 W CB -1.988 27.463 29.460 -0.016 0.000 2.784 302 W HN 0.395 nan 8.180 nan 0.000 1.485 303 L N 2.045 123.340 121.223 0.119 0.000 2.513 303 L HA 0.056 4.394 4.340 -0.004 0.000 0.272 303 L C 1.843 178.856 176.870 0.239 0.000 1.187 303 L CA 1.097 56.018 54.840 0.135 0.000 0.895 303 L CB 0.484 42.559 42.059 0.026 0.000 1.147 303 L HN 0.254 nan 8.230 nan 0.000 0.483 304 R N 3.707 124.311 120.500 0.173 0.000 2.342 304 R HA 0.305 4.642 4.340 -0.004 0.000 0.204 304 R C 0.373 176.707 176.300 0.057 0.000 0.882 304 R CA -0.326 55.839 56.100 0.108 0.000 1.041 304 R CB 0.402 30.763 30.300 0.101 0.000 1.188 304 R HN 0.547 nan 8.270 nan 0.000 0.598 305 R N 0.954 121.511 120.500 0.095 0.000 2.548 305 R HA 0.376 4.713 4.340 -0.004 0.000 0.280 305 R C -1.905 174.475 176.300 0.134 0.000 1.061 305 R CA -0.580 55.572 56.100 0.086 0.000 0.915 305 R CB 2.704 33.044 30.300 0.067 0.000 1.210 305 R HN 0.010 nan 8.270 nan 0.000 0.442 306 V N 2.983 122.970 119.914 0.120 0.000 2.417 306 V HA 0.780 4.898 4.120 -0.004 0.000 0.291 306 V C -0.452 175.665 176.094 0.038 0.000 1.024 306 V CA -0.577 61.799 62.300 0.126 0.000 0.861 306 V CB 1.440 33.358 31.823 0.158 0.000 0.985 306 V HN 0.880 nan 8.190 nan 0.000 0.436 307 A N 4.601 127.393 122.820 -0.048 0.000 2.398 307 A HA 0.837 5.155 4.320 -0.004 0.000 0.301 307 A C -0.984 176.519 177.584 -0.134 0.000 1.041 307 A CA -0.529 51.482 52.037 -0.043 0.000 0.711 307 A CB 1.805 20.798 19.000 -0.012 0.000 1.240 307 A HN 0.590 nan 8.150 nan 0.000 0.420 308 V N 1.596 121.434 119.914 -0.126 0.000 2.439 308 V HA 0.734 4.852 4.120 -0.004 0.000 0.282 308 V C 0.449 176.535 176.094 -0.014 0.000 1.039 308 V CA -0.049 62.152 62.300 -0.164 0.000 0.913 308 V CB 1.416 32.952 31.823 -0.479 0.000 0.983 308 V HN 0.947 nan 8.190 nan 0.000 0.460 309 S N 5.839 121.459 115.700 -0.134 0.000 2.533 309 S HA 0.635 5.102 4.470 -0.004 0.000 0.271 309 S C -2.990 171.298 174.600 -0.520 0.000 1.143 309 S CA -1.163 56.877 58.200 -0.267 0.000 0.891 309 S CB 2.589 65.561 63.200 -0.379 0.000 1.105 309 S HN 0.536 nan 8.310 nan 0.000 0.468 310 P HA 0.257 nan 4.420 nan 0.000 0.272 310 P C -0.950 176.094 177.300 -0.426 0.000 1.223 310 P CA -0.242 62.186 63.100 -1.121 0.000 0.784 310 P CB 0.268 31.201 31.700 -1.278 0.000 0.923 311 D N 0.874 121.120 120.400 -0.256 0.000 2.399 311 D HA 0.143 4.781 4.640 -0.004 0.000 0.241 311 D C 0.800 177.043 176.300 -0.095 0.000 1.133 311 D CA 0.477 54.469 54.000 -0.012 0.000 0.890 311 D CB 0.647 41.441 40.800 -0.011 0.000 1.201 311 D HN 0.467 nan 8.370 nan 0.000 0.432 328 c N 1.573 120.193 118.600 0.034 0.000 2.322 328 c HA 0.783 5.350 4.570 -0.004 0.000 0.324 328 c C -0.281 173.832 174.090 0.038 0.000 1.284 328 c CA -0.277 56.073 56.329 0.036 0.000 1.606 328 c CB -0.112 42.411 42.510 0.022 0.000 2.251 328 c HN 0.477 nan 8.230 nan 0.000 0.502 329 V N 4.338 124.276 119.914 0.041 0.000 2.417 329 V HA 0.474 4.591 4.120 -0.004 0.000 0.291 329 V C -0.044 176.073 176.094 0.039 0.000 1.024 329 V CA -0.381 61.939 62.300 0.033 0.000 0.861 329 V CB 1.475 33.318 31.823 0.033 0.000 0.985 329 V HN 0.886 nan 8.190 nan 0.000 0.436 330 D N 3.844 124.237 120.400 -0.011 0.000 2.371 330 D HA 0.032 4.669 4.640 -0.004 0.000 0.256 330 D C 0.231 176.562 176.300 0.051 0.000 1.193 330 D CA -0.135 53.848 54.000 -0.028 0.000 0.881 330 D CB 1.127 41.883 40.800 -0.074 0.000 1.143 330 D HN 0.772 nan 8.370 nan 0.000 0.473 331 W N 2.840 123.980 121.300 -0.266 0.000 2.480 331 W HA -0.093 4.566 4.660 -0.000 0.000 0.257 331 W C 1.412 177.874 176.519 -0.094 0.000 1.235 331 W CA 0.294 57.513 57.345 -0.211 0.000 1.218 331 W CB -0.187 29.064 29.460 -0.349 0.000 1.131 331 W HN 0.525 nan 8.180 nan 0.000 0.606 332 D N -1.345 119.113 120.400 0.096 0.000 2.310 332 D HA -0.077 4.561 4.640 -0.004 0.000 0.212 332 D C 1.147 177.448 176.300 0.001 0.000 0.965 332 D CA 0.959 54.993 54.000 0.057 0.000 0.879 332 D CB -0.286 40.541 40.800 0.045 0.000 0.921 332 D HN -0.042 nan 8.370 nan 0.000 0.510 341 A N 0.494 123.315 122.820 0.002 0.000 2.440 341 A HA 0.454 4.771 4.320 -0.004 0.000 0.251 341 A C 0.527 178.127 177.584 0.027 0.000 1.089 341 A CA -0.153 51.893 52.037 0.015 0.000 0.779 341 A CB -0.837 18.167 19.000 0.007 0.000 1.022 341 A HN 0.375 nan 8.150 nan 0.000 0.492 342 I N 2.542 123.137 120.570 0.041 0.000 2.906 342 I HA -0.136 4.032 4.170 -0.004 0.000 0.301 342 I C 1.214 177.366 176.117 0.058 0.000 1.221 342 I CA 0.428 61.759 61.300 0.053 0.000 1.435 342 I CB 0.091 38.128 38.000 0.062 0.000 1.345 342 I HN 0.770 nan 8.210 nan 0.000 0.558 343 Q N 4.945 124.781 119.800 0.061 0.000 2.345 343 Q HA 0.261 4.598 4.340 -0.004 0.000 0.176 343 Q C 0.072 176.127 176.000 0.092 0.000 0.723 343 Q CA -0.069 55.775 55.803 0.068 0.000 0.743 343 Q CB -0.017 28.754 28.738 0.055 0.000 1.260 343 Q HN 0.591 nan 8.270 nan 0.000 0.535 344 E N 1.402 121.656 120.200 0.089 0.000 2.415 344 E HA 0.180 4.528 4.350 -0.004 0.000 0.262 344 E C -0.407 176.264 176.600 0.118 0.000 1.038 344 E CA 0.090 56.554 56.400 0.107 0.000 0.921 344 E CB 0.599 30.342 29.700 0.072 0.000 0.950 344 E HN 0.142 nan 8.360 nan 0.000 0.438 345 L N 3.637 124.959 121.223 0.166 0.000 2.334 345 L HA 0.479 4.817 4.340 -0.004 0.000 0.270 345 L C -1.924 175.005 176.870 0.098 0.000 1.018 345 L CA -1.979 52.976 54.840 0.191 0.000 0.811 345 L CB 1.240 43.537 42.059 0.396 0.000 1.271 345 L HN 0.441 nan 8.230 nan 0.000 0.443 346 P HA 0.179 nan 4.420 nan 0.000 0.306 346 P C -0.749 176.590 177.300 0.065 0.000 1.309 346 P CA -0.438 62.696 63.100 0.056 0.000 0.759 346 P CB 0.675 32.418 31.700 0.072 0.000 1.314 347 V N 0.401 120.344 119.914 0.048 0.000 2.673 347 V HA 0.118 4.236 4.120 -0.004 0.000 0.303 347 V C 0.544 176.739 176.094 0.169 0.000 1.046 347 V CA 0.827 63.170 62.300 0.072 0.000 1.126 347 V CB -0.327 31.521 31.823 0.041 0.000 0.934 347 V HN 0.559 nan 8.190 nan 0.000 0.487 348 Q N 3.382 123.333 119.800 0.251 0.000 2.359 348 Q HA 0.708 5.045 4.340 -0.004 0.000 0.274 348 Q C -0.856 175.310 176.000 0.275 0.000 1.074 348 Q CA -0.370 55.612 55.803 0.298 0.000 0.810 348 Q CB 2.469 31.463 28.738 0.427 0.000 1.342 348 Q HN 1.013 nan 8.270 nan 0.000 0.427 349 S N 1.008 116.806 115.700 0.163 0.000 2.547 349 S HA 1.018 5.486 4.470 -0.004 0.000 0.270 349 S C -1.510 173.013 174.600 -0.129 0.000 1.150 349 S CA -0.280 57.941 58.200 0.034 0.000 0.850 349 S CB 1.355 64.595 63.200 0.066 0.000 1.118 349 S HN 1.142 nan 8.310 nan 0.000 0.461 350 A N 1.021 123.606 122.820 -0.391 0.000 2.594 350 A HA 0.751 5.068 4.320 -0.004 0.000 0.295 350 A C -1.222 176.393 177.584 0.051 0.000 1.071 350 A CA -0.769 51.115 52.037 -0.256 0.000 0.685 350 A CB 1.480 20.087 19.000 -0.655 0.000 1.285 350 A HN 1.297 nan 8.150 nan 0.000 0.405 351 V N 2.061 122.258 119.914 0.472 0.000 2.406 351 V HA 0.386 4.503 4.120 -0.004 0.000 0.272 351 V C 1.373 177.545 176.094 0.129 0.000 1.043 351 V CA 0.721 63.186 62.300 0.275 0.000 0.915 351 V CB 0.797 32.778 31.823 0.263 0.000 0.988 351 V HN 1.178 nan 8.190 nan 0.000 0.466 352 T N 0.782 115.295 114.554 -0.069 0.000 3.001 352 T HA 0.190 4.538 4.350 -0.004 0.000 0.251 352 T C 0.379 175.055 174.700 -0.039 0.000 1.040 352 T CA 0.044 62.127 62.100 -0.028 0.000 0.985 352 T CB 0.272 69.103 68.868 -0.062 0.000 1.011 352 T HN 0.572 nan 8.240 nan 0.000 0.509 353 Q N 1.491 121.242 119.800 -0.082 0.000 2.268 353 Q HA 0.431 4.769 4.340 -0.004 0.000 0.266 353 Q C -3.134 172.844 176.000 -0.037 0.000 1.006 353 Q CA -2.217 53.551 55.803 -0.058 0.000 0.824 353 Q CB 2.874 31.559 28.738 -0.089 0.000 1.306 353 Q HN 0.059 nan 8.270 nan 0.000 0.424 354 P HA 0.263 nan 4.420 nan 0.000 0.289 354 P C -0.881 176.426 177.300 0.012 0.000 1.299 354 P CA -0.449 62.650 63.100 -0.002 0.000 0.766 354 P CB 0.854 32.554 31.700 0.000 0.000 1.226 355 R N -0.720 119.790 120.500 0.018 0.000 2.598 355 R HA 0.484 4.822 4.340 -0.004 0.000 0.279 355 R C -2.185 174.130 176.300 0.026 0.000 0.984 355 R CA -2.424 53.696 56.100 0.033 0.000 0.999 355 R CB -0.813 29.508 30.300 0.035 0.000 1.114 355 R HN 0.352 nan 8.270 nan 0.000 0.493 356 P HA -0.001 nan 4.420 nan 0.000 0.262 356 P C 0.670 177.982 177.300 0.020 0.000 1.182 356 P CA 1.031 64.145 63.100 0.024 0.000 0.761 356 P CB 0.351 32.076 31.700 0.042 0.000 0.795 357 G N 1.830 110.637 108.800 0.011 0.000 2.179 357 G HA2 -0.212 3.746 3.960 -0.004 0.000 0.260 357 G HA3 -0.212 3.746 3.960 -0.004 0.000 0.260 357 G C 0.500 175.404 174.900 0.008 0.000 0.977 357 G CA 0.018 45.124 45.100 0.010 0.000 0.641 357 G HN 0.859 nan 8.290 nan 0.000 0.533 358 A N 0.037 122.862 122.820 0.008 0.000 2.483 358 A HA 0.689 5.006 4.320 -0.004 0.000 0.238 358 A C 0.823 178.408 177.584 0.002 0.000 1.070 358 A CA 1.204 53.245 52.037 0.006 0.000 0.770 358 A CB 0.473 19.477 19.000 0.006 0.000 1.008 358 A HN 2.110 nan 8.150 nan 0.000 0.497 359 A N 1.930 124.751 122.820 0.002 0.000 2.256 359 A HA 0.560 4.877 4.320 -0.004 0.000 0.317 359 A C 0.017 177.601 177.584 -0.000 0.000 1.318 359 A CA -0.138 51.899 52.037 0.000 0.000 0.894 359 A CB 0.115 19.115 19.000 0.001 0.000 1.165 359 A HN 2.057 nan 8.150 nan 0.000 0.525 360 V N 1.042 120.955 119.914 -0.002 0.000 2.532 360 V HA 0.757 4.874 4.120 -0.004 0.000 0.295 360 V C -2.594 173.499 176.094 -0.003 0.000 1.041 360 V CA -2.473 59.826 62.300 -0.002 0.000 0.926 360 V CB 1.349 33.171 31.823 -0.003 0.000 0.992 360 V HN 0.677 nan 8.190 nan 0.000 0.457 361 P HA 0.325 nan 4.420 nan 0.000 0.272 361 P C -2.666 174.632 177.300 -0.003 0.000 1.223 361 P CA -1.360 61.738 63.100 -0.002 0.000 0.784 361 P CB -0.042 31.657 31.700 -0.001 0.000 0.923 362 P HA 0.208 nan 4.420 nan 0.000 0.272 362 P C 0.704 178.002 177.300 -0.003 0.000 1.230 362 P CA 0.684 63.782 63.100 -0.004 0.000 0.788 362 P CB 0.213 31.911 31.700 -0.004 0.000 0.949 363 G N 0.913 109.711 108.800 -0.004 0.000 2.637 363 G HA2 -0.101 3.856 3.960 -0.004 0.000 0.211 363 G HA3 -0.101 3.856 3.960 -0.004 0.000 0.211 363 G C -1.063 173.836 174.900 -0.002 0.000 1.213 363 G CA -0.482 44.617 45.100 -0.003 0.000 1.207 363 G HN 0.532 nan 8.290 nan 0.000 0.559 364 E N 0.359 120.558 120.200 -0.000 0.000 2.231 364 E HA 0.613 4.961 4.350 -0.004 0.000 0.277 364 E C -0.938 175.663 176.600 0.002 0.000 0.999 364 E CA -0.579 55.822 56.400 0.001 0.000 0.827 364 E CB 2.371 32.073 29.700 0.003 0.000 1.101 364 E HN 0.634 nan 8.360 nan 0.000 0.393 365 L N 1.558 122.784 121.223 0.005 0.000 2.381 365 L HA 0.348 4.686 4.340 -0.004 0.000 0.274 365 L C -0.707 176.171 176.870 0.013 0.000 0.988 365 L CA -0.212 54.631 54.840 0.006 0.000 0.824 365 L CB 2.048 44.110 42.059 0.005 0.000 1.263 365 L HN 0.260 nan 8.230 nan 0.000 0.410 366 T N 4.684 119.243 114.554 0.008 0.000 2.728 366 T HA 0.498 4.846 4.350 -0.004 0.000 0.296 366 T C -0.271 174.433 174.700 0.008 0.000 0.940 366 T CA -0.269 61.837 62.100 0.011 0.000 1.013 366 T CB 0.759 69.624 68.868 -0.005 0.000 0.912 366 T HN 0.374 nan 8.240 nan 0.000 0.484 367 V N 5.230 125.172 119.914 0.046 0.000 2.427 367 V HA 0.499 4.617 4.120 -0.004 0.000 0.286 367 V C 0.180 176.248 176.094 -0.043 0.000 1.034 367 V CA -0.687 61.650 62.300 0.061 0.000 0.893 367 V CB 1.288 33.230 31.823 0.198 0.000 0.982 367 V HN 0.750 nan 8.190 nan 0.000 0.452 368 K N 2.413 122.622 120.400 -0.318 0.000 2.443 368 K HA 0.888 5.206 4.320 -0.004 0.000 0.251 368 K C -0.062 175.791 176.600 -1.245 0.000 0.972 368 K CA -0.643 55.199 56.287 -0.741 0.000 0.833 368 K CB 2.776 35.026 32.500 -0.418 0.000 1.317 368 K HN 0.913 nan 8.250 nan 0.000 0.441 369 G N 0.411 108.071 108.800 -1.901 0.000 2.490 369 G HA2 0.390 4.348 3.960 -0.004 0.000 0.308 369 G HA3 0.390 4.348 3.960 -0.004 0.000 0.308 369 G C -2.154 172.068 174.900 -1.130 0.000 1.286 369 G CA -0.702 43.586 45.100 -1.353 0.000 0.825 369 G HN 0.544 nan 8.290 nan 0.000 0.479 370 Y N -1.517 118.539 120.300 -0.408 0.000 2.598 370 Y HA 0.914 5.462 4.550 -0.005 0.000 0.340 370 Y C -0.068 176.049 175.900 0.361 0.000 1.038 370 Y CA -1.334 56.663 58.100 -0.172 0.000 1.100 370 Y CB 1.797 40.046 38.460 -0.351 0.000 1.281 370 Y HN 1.248 nan 8.280 nan 0.000 0.488 371 A N 1.201 124.373 122.820 0.586 0.000 2.572 371 A HA 0.754 5.072 4.320 -0.004 0.000 0.295 371 A C -2.278 175.695 177.584 0.648 0.000 1.072 371 A CA -0.583 51.767 52.037 0.521 0.000 0.691 371 A CB 1.294 20.484 19.000 0.316 0.000 1.291 371 A HN 1.056 nan 8.150 nan 0.000 0.404 372 W N 0.427 121.918 121.300 0.317 0.000 3.161 372 W HA 0.615 5.271 4.660 -0.007 0.000 0.314 372 W C -1.053 175.571 176.519 0.176 0.000 1.245 372 W CA 0.251 57.760 57.345 0.272 0.000 1.191 372 W CB 1.498 31.148 29.460 0.318 0.000 1.392 372 W HN 1.119 nan 8.180 nan 0.000 0.568 373 S N 1.821 117.093 115.700 -0.714 0.000 2.569 373 S HA 0.744 5.212 4.470 -0.004 0.000 0.280 373 S C -0.136 173.576 174.600 -1.479 0.000 1.111 373 S CA -0.048 57.694 58.200 -0.764 0.000 0.887 373 S CB 1.003 63.984 63.200 -0.365 0.000 1.095 373 S HN 1.056 nan 8.310 nan 0.000 0.476 374 G N 0.623 108.845 108.800 -0.964 0.000 2.651 374 G HA2 0.451 4.408 3.960 -0.004 0.000 0.260 374 G HA3 0.451 4.408 3.960 -0.004 0.000 0.260 374 G C 1.103 175.841 174.900 -0.270 0.000 1.216 374 G CA 0.156 44.881 45.100 -0.626 0.000 0.913 374 G HN 1.927 nan 8.290 nan 0.000 0.535 375 G N -1.784 107.022 108.800 0.010 0.000 2.187 375 G HA2 0.184 4.141 3.960 -0.004 0.000 0.261 375 G HA3 0.184 4.141 3.960 -0.004 0.000 0.261 375 G C 1.472 176.437 174.900 0.108 0.000 1.000 375 G CA 1.183 46.358 45.100 0.125 0.000 0.718 375 G HN 2.588 nan 8.290 nan 0.000 0.519 376 G N -1.564 107.247 108.800 0.018 0.000 2.143 376 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.249 376 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.249 376 G C 0.362 175.034 174.900 -0.380 0.000 0.981 376 G CA 0.809 45.625 45.100 -0.473 0.000 0.665 376 G HN 1.025 nan 8.290 nan 0.000 0.528 377 R N 0.716 121.046 120.500 -0.284 0.000 2.347 377 R HA 0.390 4.727 4.340 -0.004 0.000 0.304 377 R C 0.448 176.592 176.300 -0.260 0.000 1.072 377 R CA -0.316 55.632 56.100 -0.253 0.000 0.980 377 R CB 0.931 31.101 30.300 -0.218 0.000 0.986 377 R HN 0.518 nan 8.270 nan 0.000 0.448 378 E N 2.434 122.508 120.200 -0.210 0.000 2.331 378 E HA 0.085 4.433 4.350 -0.004 0.000 0.272 378 E C -0.655 175.865 176.600 -0.134 0.000 1.036 378 E CA -0.541 55.770 56.400 -0.149 0.000 0.864 378 E CB 1.049 30.673 29.700 -0.126 0.000 1.035 378 E HN 0.211 nan 8.360 nan 0.000 0.408 379 V N 5.641 125.518 119.914 -0.062 0.000 2.479 379 V HA -0.023 4.094 4.120 -0.004 0.000 0.281 379 V C 1.158 177.215 176.094 -0.063 0.000 1.031 379 V CA 0.132 62.404 62.300 -0.045 0.000 1.038 379 V CB 0.860 32.713 31.823 0.050 0.000 0.981 379 V HN 0.704 nan 8.190 nan 0.000 0.478 380 V N 2.425 122.271 119.914 -0.113 0.000 3.644 380 V HA 0.461 4.579 4.120 -0.004 0.000 0.267 380 V C 0.684 176.725 176.094 -0.088 0.000 1.277 380 V CA 0.269 62.503 62.300 -0.111 0.000 1.096 380 V CB -0.200 31.520 31.823 -0.172 0.000 0.828 380 V HN 0.777 nan 8.190 nan 0.000 0.446 381 R N -0.538 119.900 120.500 -0.103 0.000 2.604 381 R HA 0.676 5.013 4.340 -0.004 0.000 0.261 381 R C -2.346 173.848 176.300 -0.177 0.000 1.080 381 R CA -0.395 55.633 56.100 -0.121 0.000 0.917 381 R CB 2.763 32.990 30.300 -0.121 0.000 1.252 381 R HN 0.085 nan 8.270 nan 0.000 0.456 382 V N 3.638 123.413 119.914 -0.233 0.000 2.483 382 V HA 0.355 4.472 4.120 -0.004 0.000 0.297 382 V C -0.918 174.936 176.094 -0.401 0.000 1.027 382 V CA -0.829 61.229 62.300 -0.402 0.000 0.855 382 V CB 1.914 33.342 31.823 -0.658 0.000 0.995 382 V HN 0.694 nan 8.190 nan 0.000 0.424 383 D N 3.558 123.713 120.400 -0.409 0.000 2.177 383 D HA 0.582 5.220 4.640 -0.004 0.000 0.247 383 D C -0.623 175.608 176.300 -0.115 0.000 1.063 383 D CA -0.132 53.709 54.000 -0.265 0.000 0.867 383 D CB 2.661 43.177 40.800 -0.474 0.000 1.168 383 D HN 0.254 nan 8.370 nan 0.000 0.445 384 V N 1.127 121.068 119.914 0.046 0.000 2.588 384 V HA 0.423 4.541 4.120 -0.004 0.000 0.304 384 V C 0.040 176.128 176.094 -0.011 0.000 1.042 384 V CA -0.646 61.650 62.300 -0.007 0.000 0.877 384 V CB 1.944 33.686 31.823 -0.135 0.000 0.996 384 V HN 0.505 nan 8.190 nan 0.000 0.425 385 S N 3.325 118.852 115.700 -0.288 0.000 2.532 385 S HA 0.711 5.179 4.470 -0.004 0.000 0.301 385 S C 0.243 174.653 174.600 -0.316 0.000 1.083 385 S CA -0.641 57.215 58.200 -0.573 0.000 1.025 385 S CB 1.530 63.942 63.200 -1.313 0.000 1.056 385 S HN 0.633 nan 8.310 nan 0.000 0.494 386 L N 2.039 123.107 121.223 -0.257 0.000 2.766 386 L HA 0.333 4.670 4.340 -0.004 0.000 0.242 386 L C 0.015 176.790 176.870 -0.157 0.000 1.136 386 L CA 0.050 54.795 54.840 -0.158 0.000 0.933 386 L CB 0.099 42.098 42.059 -0.101 0.000 1.241 386 L HN 0.649 nan 8.230 nan 0.000 0.522 387 D N -0.795 119.475 120.400 -0.217 0.000 2.788 387 D HA 0.240 4.878 4.640 -0.004 0.000 0.289 387 D C 1.123 177.318 176.300 -0.174 0.000 1.340 387 D CA -0.083 53.817 54.000 -0.167 0.000 0.831 387 D CB 0.418 41.129 40.800 -0.148 0.000 1.103 387 D HN 0.095 nan 8.370 nan 0.000 0.476 388 G N -0.263 108.430 108.800 -0.179 0.000 2.153 388 G HA2 -0.038 3.920 3.960 -0.004 0.000 0.252 388 G HA3 -0.038 3.920 3.960 -0.004 0.000 0.252 388 G C 1.109 175.937 174.900 -0.120 0.000 0.994 388 G CA 0.260 45.294 45.100 -0.110 0.000 0.698 388 G HN 1.500 nan 8.290 nan 0.000 0.521 389 G N -1.546 107.017 108.800 -0.394 0.000 2.144 389 G HA2 -0.230 3.727 3.960 -0.004 0.000 0.218 389 G HA3 -0.230 3.727 3.960 -0.004 0.000 0.218 389 G C 1.008 175.728 174.900 -0.300 0.000 0.988 389 G CA 1.063 45.855 45.100 -0.513 0.000 0.659 389 G HN 0.883 nan 8.290 nan 0.000 0.522 390 R N 0.069 120.391 120.500 -0.297 0.000 2.075 390 R HA 0.166 4.504 4.340 -0.004 0.000 0.226 390 R C 1.406 177.604 176.300 -0.170 0.000 1.114 390 R CA 1.676 57.696 56.100 -0.133 0.000 0.972 390 R CB -0.085 30.160 30.300 -0.093 0.000 0.869 390 R HN 0.640 nan 8.270 nan 0.000 0.437 391 T N -2.487 111.846 114.554 -0.368 0.000 2.900 391 T HA 0.515 4.863 4.350 -0.004 0.000 0.295 391 T C -1.251 173.155 174.700 -0.489 0.000 1.044 391 T CA -0.910 61.039 62.100 -0.252 0.000 0.995 391 T CB 1.709 70.503 68.868 -0.124 0.000 1.072 391 T HN 0.140 nan 8.240 nan 0.000 0.473 392 W N 0.560 121.815 121.300 -0.075 0.000 2.936 392 W HA 0.708 5.366 4.660 -0.004 0.000 0.338 392 W C -0.193 176.269 176.519 -0.095 0.000 1.121 392 W CA -0.887 56.391 57.345 -0.111 0.000 1.209 392 W CB 2.139 31.509 29.460 -0.150 0.000 1.420 392 W HN 0.574 nan 8.180 nan 0.000 0.516 393 K N 1.069 121.551 120.400 0.137 0.000 2.385 393 K HA 0.635 4.953 4.320 -0.004 0.000 0.248 393 K C -1.182 175.430 176.600 0.021 0.000 0.955 393 K CA -1.156 55.165 56.287 0.056 0.000 0.816 393 K CB 2.707 35.219 32.500 0.020 0.000 1.250 393 K HN 0.166 nan 8.250 nan 0.000 0.434 394 V N 2.285 122.194 119.914 -0.008 0.000 2.488 394 V HA 0.221 4.339 4.120 -0.004 0.000 0.277 394 V C 0.328 176.399 176.094 -0.039 0.000 1.046 394 V CA -0.402 61.869 62.300 -0.049 0.000 0.986 394 V CB 1.030 32.828 31.823 -0.043 0.000 0.989 394 V HN 0.904 nan 8.190 nan 0.000 0.475 395 A N 5.541 128.313 122.820 -0.080 0.000 2.304 395 A HA 0.584 4.902 4.320 -0.004 0.000 0.271 395 A C 0.345 177.954 177.584 0.042 0.000 1.091 395 A CA -0.469 51.568 52.037 -0.000 0.000 0.812 395 A CB 0.284 19.260 19.000 -0.039 0.000 1.056 395 A HN 0.867 nan 8.150 nan 0.000 0.489 396 R N 0.862 121.422 120.500 0.100 0.000 2.308 396 R HA 0.508 4.845 4.340 -0.004 0.000 0.305 396 R C -1.109 175.265 176.300 0.123 0.000 1.053 396 R CA -0.237 55.912 56.100 0.082 0.000 0.957 396 R CB 0.188 30.527 30.300 0.065 0.000 1.022 396 R HN 0.661 nan 8.270 nan 0.000 0.461 397 L N 5.178 126.452 121.223 0.086 0.000 2.322 397 L HA 0.479 4.816 4.340 -0.004 0.000 0.279 397 L C -0.519 176.389 176.870 0.063 0.000 1.036 397 L CA -0.953 53.949 54.840 0.104 0.000 0.807 397 L CB 1.718 43.823 42.059 0.075 0.000 1.226 397 L HN 0.608 nan 8.230 nan 0.000 0.433 398 M N 1.903 121.543 119.600 0.066 0.000 2.259 398 M HA 0.734 5.211 4.480 -0.004 0.000 0.304 398 M C -0.039 176.267 176.300 0.010 0.000 1.019 398 M CA -0.081 55.224 55.300 0.009 0.000 0.922 398 M CB 2.269 34.866 32.600 -0.006 0.000 1.600 398 M HN 0.668 nan 8.290 nan 0.000 0.433 399 G N 0.594 109.332 108.800 -0.104 0.000 2.554 399 G HA2 0.421 4.379 3.960 -0.004 0.000 0.306 399 G HA3 0.421 4.379 3.960 -0.004 0.000 0.306 399 G C -1.137 173.565 174.900 -0.330 0.000 1.320 399 G CA -0.645 44.361 45.100 -0.157 0.000 0.800 399 G HN 0.646 nan 8.290 nan 0.000 0.481 400 D N -0.845 119.423 120.400 -0.220 0.000 2.328 400 D HA 0.056 4.693 4.640 -0.004 0.000 0.221 400 D C 0.568 176.849 176.300 -0.031 0.000 1.072 400 D CA -0.214 53.700 54.000 -0.144 0.000 0.850 400 D CB -0.111 40.718 40.800 0.049 0.000 0.922 400 D HN 0.608 nan 8.370 nan 0.000 0.516 401 K N -0.150 120.238 120.400 -0.020 0.000 3.278 401 K HA -0.165 4.153 4.320 -0.004 0.000 0.270 401 K C 0.149 176.741 176.600 -0.014 0.000 0.955 401 K CA 0.404 56.680 56.287 -0.018 0.000 0.723 401 K CB -1.837 30.645 32.500 -0.029 0.000 1.382 401 K HN 0.452 nan 8.250 nan 0.000 0.461 402 A N 1.121 123.935 122.820 -0.009 0.000 2.448 402 A HA 0.320 4.638 4.320 -0.004 0.000 0.239 402 A C -1.624 175.917 177.584 -0.073 0.000 1.080 402 A CA -0.873 51.142 52.037 -0.036 0.000 0.779 402 A CB -0.045 18.911 19.000 -0.074 0.000 1.026 402 A HN 0.128 nan 8.150 nan 0.000 0.499 403 P HA 0.158 nan 4.420 nan 0.000 0.267 403 P C -2.450 174.774 177.300 -0.127 0.000 1.201 403 P CA -0.649 62.405 63.100 -0.077 0.000 0.775 403 P CB -0.406 31.263 31.700 -0.052 0.000 0.854 404 P HA -0.065 nan 4.420 nan 0.000 0.260 404 P C 0.970 178.177 177.300 -0.154 0.000 1.172 404 P CA 1.348 64.381 63.100 -0.112 0.000 0.760 404 P CB -0.111 31.548 31.700 -0.068 0.000 0.773 405 G N 3.478 112.157 108.800 -0.202 0.000 2.166 405 G HA2 -0.328 3.629 3.960 -0.004 0.000 0.260 405 G HA3 -0.328 3.629 3.960 -0.004 0.000 0.260 405 G C 0.664 175.269 174.900 -0.490 0.000 0.986 405 G CA 0.093 45.041 45.100 -0.253 0.000 0.683 405 G HN 0.606 nan 8.290 nan 0.000 0.527 406 R N -0.375 119.751 120.500 -0.624 0.000 2.659 406 R HA 0.502 4.840 4.340 -0.004 0.000 0.418 406 R C 0.924 176.486 176.300 -1.230 0.000 1.076 406 R CA 0.330 55.725 56.100 -1.174 0.000 1.093 406 R CB 0.800 30.787 30.300 -0.521 0.000 1.400 406 R HN 0.450 nan 8.270 nan 0.000 0.583 407 A N 0.489 122.832 122.820 -0.795 0.000 2.990 407 A HA 0.088 4.405 4.320 -0.004 0.000 0.282 407 A C 0.173 177.645 177.584 -0.187 0.000 1.688 407 A CA -0.534 51.279 52.037 -0.373 0.000 1.391 407 A CB -0.637 18.238 19.000 -0.208 0.000 1.112 407 A HN 0.599 nan 8.150 nan 0.000 0.588 408 W N 1.991 123.394 121.300 0.171 0.000 2.584 408 W HA 0.292 4.949 4.660 -0.005 0.000 0.264 408 W C 1.184 177.966 176.519 0.439 0.000 1.264 408 W CA 0.308 57.812 57.345 0.266 0.000 1.306 408 W CB 0.287 29.867 29.460 0.201 0.000 1.110 408 W HN 0.641 nan 8.180 nan 0.000 0.606 409 A N 0.753 123.904 122.820 0.553 0.000 2.306 409 A HA 0.512 4.830 4.320 -0.004 0.000 0.330 409 A C -0.504 177.490 177.584 0.683 0.000 1.146 409 A CA -0.858 51.456 52.037 0.461 0.000 0.827 409 A CB 0.136 19.377 19.000 0.402 0.000 1.178 409 A HN 0.197 nan 8.150 nan 0.000 0.490 410 W N 0.759 122.306 121.300 0.412 0.000 2.034 410 W HA 0.545 5.203 4.660 -0.004 0.000 0.357 410 W C 0.009 176.789 176.519 0.435 0.000 1.326 410 W CA -1.131 56.488 57.345 0.457 0.000 1.318 410 W CB -0.558 29.035 29.460 0.221 0.000 1.193 410 W HN 0.876 nan 8.180 nan 0.000 0.620 411 A N 2.570 125.732 122.820 0.571 0.000 2.304 411 A HA 0.698 5.016 4.320 -0.004 0.000 0.323 411 A C -0.762 176.911 177.584 0.149 0.000 1.195 411 A CA -0.965 51.285 52.037 0.355 0.000 0.826 411 A CB 0.351 19.518 19.000 0.279 0.000 1.184 411 A HN 0.694 nan 8.150 nan 0.000 0.496 412 L N 3.264 124.496 121.223 0.015 0.000 2.334 412 L HA 0.562 4.899 4.340 -0.004 0.000 0.277 412 L C -0.157 176.730 176.870 0.028 0.000 1.075 412 L CA -0.549 54.190 54.840 -0.169 0.000 0.804 412 L CB 0.949 42.853 42.059 -0.258 0.000 1.174 412 L HN 0.881 nan 8.230 nan 0.000 0.438 413 W N 2.683 123.940 121.300 -0.072 0.000 2.962 413 W HA 0.721 5.378 4.660 -0.005 0.000 0.341 413 W C -1.199 175.295 176.519 -0.042 0.000 1.155 413 W CA -0.813 56.506 57.345 -0.043 0.000 1.165 413 W CB 1.538 30.978 29.460 -0.033 0.000 1.435 413 W HN 0.662 nan 8.180 nan 0.000 0.546 414 E N 1.396 121.789 120.200 0.320 0.000 2.392 414 E HA 0.719 5.066 4.350 -0.004 0.000 0.279 414 E C -2.526 174.239 176.600 0.274 0.000 0.964 414 E CA -1.070 55.458 56.400 0.212 0.000 0.777 414 E CB 2.836 32.546 29.700 0.017 0.000 1.249 414 E HN 0.394 nan 8.360 nan 0.000 0.449 415 L N 1.155 122.525 121.223 0.244 0.000 2.470 415 L HA 0.500 4.838 4.340 -0.004 0.000 0.268 415 L C -1.462 175.468 176.870 0.100 0.000 0.964 415 L CA 0.056 54.992 54.840 0.159 0.000 0.839 415 L CB 2.603 44.762 42.059 0.166 0.000 1.276 415 L HN 0.749 nan 8.230 nan 0.000 0.403 416 T N 4.143 118.733 114.554 0.060 0.000 2.758 416 T HA 0.680 5.027 4.350 -0.004 0.000 0.285 416 T C -1.054 173.662 174.700 0.028 0.000 0.981 416 T CA -0.328 61.794 62.100 0.037 0.000 0.965 416 T CB 1.422 70.304 68.868 0.024 0.000 0.927 416 T HN 0.462 nan 8.240 nan 0.000 0.448 417 V N 5.744 125.671 119.914 0.021 0.000 2.841 417 V HA 0.648 4.766 4.120 -0.004 0.000 0.310 417 V C -2.561 173.536 176.094 0.004 0.000 1.090 417 V CA -2.699 59.607 62.300 0.011 0.000 0.930 417 V CB 2.695 34.524 31.823 0.010 0.000 1.014 417 V HN 0.620 nan 8.190 nan 0.000 0.425 418 P HA 0.299 nan 4.420 nan 0.000 0.276 418 P C -0.965 176.330 177.300 -0.008 0.000 1.230 418 P CA 0.142 63.240 63.100 -0.004 0.000 0.776 418 P CB 1.270 32.968 31.700 -0.004 0.000 0.888 419 V N -0.146 119.764 119.914 -0.008 0.000 2.735 419 V HA 0.558 4.675 4.120 -0.004 0.000 0.310 419 V C -0.279 175.809 176.094 -0.010 0.000 1.061 419 V CA -1.157 61.137 62.300 -0.011 0.000 0.913 419 V CB 2.057 33.874 31.823 -0.011 0.000 1.005 419 V HN 0.517 nan 8.190 nan 0.000 0.428 420 E N 2.822 123.014 120.200 -0.012 0.000 2.216 420 E HA 0.669 5.016 4.350 -0.004 0.000 0.279 420 E C 0.315 176.909 176.600 -0.010 0.000 0.997 420 E CA -0.606 55.788 56.400 -0.011 0.000 0.817 420 E CB 1.722 31.414 29.700 -0.012 0.000 1.096 420 E HN 1.260 nan 8.360 nan 0.000 0.393 421 A N 2.940 125.755 122.820 -0.008 0.000 2.567 421 A HA 0.339 4.657 4.320 -0.004 0.000 0.240 421 A C 1.186 178.766 177.584 -0.008 0.000 1.053 421 A CA 0.895 52.927 52.037 -0.007 0.000 0.755 421 A CB -0.514 18.482 19.000 -0.005 0.000 0.978 421 A HN 1.085 nan 8.150 nan 0.000 0.507 422 G N 1.676 110.472 108.800 -0.007 0.000 2.179 422 G HA2 -0.171 3.787 3.960 -0.004 0.000 0.260 422 G HA3 -0.171 3.787 3.960 -0.004 0.000 0.260 422 G C 0.516 175.410 174.900 -0.010 0.000 0.977 422 G CA 1.180 46.276 45.100 -0.008 0.000 0.641 422 G HN 2.116 nan 8.290 nan 0.000 0.533 423 T N -1.683 112.864 114.554 -0.012 0.000 2.912 423 T HA 0.708 5.056 4.350 -0.004 0.000 0.280 423 T C -0.477 174.213 174.700 -0.016 0.000 0.989 423 T CA -0.623 61.468 62.100 -0.015 0.000 0.995 423 T CB 2.505 71.362 68.868 -0.018 0.000 1.077 423 T HN 0.099 nan 8.240 nan 0.000 0.531 424 E N 1.178 121.367 120.200 -0.019 0.000 2.187 424 E HA 0.490 4.837 4.350 -0.004 0.000 0.268 424 E C -0.736 175.847 176.600 -0.028 0.000 0.896 424 E CA -0.568 55.820 56.400 -0.020 0.000 0.766 424 E CB 2.056 31.745 29.700 -0.018 0.000 1.142 424 E HN 0.591 nan 8.360 nan 0.000 0.408 425 L N 1.351 122.556 121.223 -0.030 0.000 2.334 425 L HA 0.448 4.786 4.340 -0.004 0.000 0.276 425 L C 0.324 177.168 176.870 -0.044 0.000 1.014 425 L CA -0.680 54.136 54.840 -0.041 0.000 0.815 425 L CB 1.603 43.639 42.059 -0.037 0.000 1.268 425 L HN 0.429 nan 8.230 nan 0.000 0.428 426 E N 3.524 123.688 120.200 -0.060 0.000 2.207 426 E HA 0.398 4.746 4.350 -0.004 0.000 0.250 426 E C -1.100 175.448 176.600 -0.087 0.000 0.890 426 E CA -0.520 55.843 56.400 -0.062 0.000 0.749 426 E CB 1.063 30.732 29.700 -0.051 0.000 1.193 426 E HN 0.492 nan 8.360 nan 0.000 0.423 427 I N 4.384 124.910 120.570 -0.074 0.000 2.416 427 I HA 0.216 4.384 4.170 -0.004 0.000 0.288 427 I C -0.402 175.673 176.117 -0.070 0.000 1.051 427 I CA -0.613 60.645 61.300 -0.071 0.000 1.375 427 I CB 1.155 39.141 38.000 -0.023 0.000 1.407 427 I HN 0.227 nan 8.210 nan 0.000 0.516 428 V N 5.570 125.435 119.914 -0.083 0.000 2.735 428 V HA 0.482 4.599 4.120 -0.004 0.000 0.310 428 V C -0.223 175.900 176.094 0.049 0.000 1.061 428 V CA -0.706 61.593 62.300 -0.001 0.000 0.913 428 V CB 1.836 33.659 31.823 0.000 0.000 1.005 428 V HN 0.991 nan 8.190 nan 0.000 0.428 429 C N 3.154 122.507 119.300 0.089 0.000 2.707 429 C HA 1.021 5.479 4.460 -0.004 0.000 0.313 429 C C -0.744 174.159 174.990 -0.145 0.000 1.209 429 C CA -0.876 58.108 59.018 -0.056 0.000 1.635 429 C CB 1.405 29.045 27.740 -0.166 0.000 2.206 429 C HN 1.112 nan 8.230 nan 0.000 0.485 430 K N 1.974 122.150 120.400 -0.374 0.000 2.532 430 K HA 0.859 5.176 4.320 -0.004 0.000 0.265 430 K C -1.194 175.178 176.600 -0.381 0.000 0.948 430 K CA -0.370 55.648 56.287 -0.449 0.000 0.842 430 K CB 1.935 33.843 32.500 -0.988 0.000 1.392 430 K HN 1.262 nan 8.250 nan 0.000 0.436 431 A N 1.449 124.137 122.820 -0.220 0.000 2.384 431 A HA 0.766 5.083 4.320 -0.004 0.000 0.312 431 A C -1.162 176.343 177.584 -0.131 0.000 1.113 431 A CA -0.833 51.099 52.037 -0.175 0.000 0.779 431 A CB 1.870 20.823 19.000 -0.078 0.000 1.307 431 A HN 0.389 nan 8.150 nan 0.000 0.436 432 V N 2.092 121.927 119.914 -0.133 0.000 2.656 432 V HA 0.449 4.566 4.120 -0.004 0.000 0.307 432 V C -0.741 175.266 176.094 -0.146 0.000 1.051 432 V CA -0.633 61.597 62.300 -0.116 0.000 0.893 432 V CB 1.791 33.550 31.823 -0.107 0.000 0.999 432 V HN 1.112 nan 8.190 nan 0.000 0.426 433 D N 2.327 122.628 120.400 -0.165 0.000 2.478 433 D HA 0.238 4.876 4.640 -0.004 0.000 0.263 433 D C 1.185 177.265 176.300 -0.366 0.000 1.153 433 D CA -0.003 53.868 54.000 -0.216 0.000 1.038 433 D CB 1.194 41.886 40.800 -0.180 0.000 1.120 433 D HN 0.433 nan 8.370 nan 0.000 0.564 434 S N -1.252 114.246 115.700 -0.336 0.000 2.555 434 S HA -0.049 4.419 4.470 -0.004 0.000 0.230 434 S C 1.155 175.500 174.600 -0.424 0.000 0.978 434 S CA 0.238 58.190 58.200 -0.414 0.000 0.934 434 S CB -0.463 62.586 63.200 -0.252 0.000 0.766 434 S HN 0.349 nan 8.310 nan 0.000 0.533 435 S N 0.388 115.916 115.700 -0.286 0.000 2.557 435 S HA 0.309 4.776 4.470 -0.004 0.000 0.223 435 S C -0.509 174.109 174.600 0.030 0.000 0.969 435 S CA -0.597 57.546 58.200 -0.096 0.000 0.927 435 S CB -0.597 62.576 63.200 -0.044 0.000 0.806 435 S HN 0.566 nan 8.310 nan 0.000 0.489 436 Y N 0.903 121.177 120.300 -0.045 0.000 4.490 436 Y HA -0.229 4.318 4.550 -0.004 0.000 0.233 436 Y C 0.285 176.165 175.900 -0.034 0.000 1.101 436 Y CA -0.226 57.849 58.100 -0.042 0.000 2.010 436 Y CB -2.700 35.738 38.460 -0.038 0.000 1.622 436 Y HN 0.292 nan 8.280 nan 0.000 0.675 437 N N 0.861 119.574 118.700 0.022 0.000 2.508 437 N HA 0.491 5.228 4.740 -0.004 0.000 0.264 437 N C 0.391 175.909 175.510 0.013 0.000 1.216 437 N CA 0.540 53.601 53.050 0.019 0.000 0.943 437 N CB 1.629 40.112 38.487 -0.007 0.000 1.113 437 N HN 0.228 nan 8.380 nan 0.000 0.447 438 V N -0.874 119.063 119.914 0.039 0.000 3.158 438 V HA 0.518 4.636 4.120 -0.004 0.000 0.315 438 V C -0.278 175.877 176.094 0.102 0.000 1.148 438 V CA -1.001 61.333 62.300 0.056 0.000 1.042 438 V CB 1.625 33.493 31.823 0.076 0.000 1.101 438 V HN 0.480 nan 8.190 nan 0.000 0.448 439 Q N 1.786 121.696 119.800 0.183 0.000 2.222 439 Q HA 0.519 4.856 4.340 -0.004 0.000 0.252 439 Q C -2.534 173.622 176.000 0.260 0.000 0.926 439 Q CA -1.897 54.057 55.803 0.251 0.000 0.899 439 Q CB 1.790 30.745 28.738 0.361 0.000 1.250 439 Q HN 0.679 nan 8.270 nan 0.000 0.441 440 P HA -0.049 nan 4.420 nan 0.000 0.272 440 P C -0.443 176.582 177.300 -0.458 0.000 1.223 440 P CA -0.010 63.031 63.100 -0.097 0.000 0.784 440 P CB 0.743 32.410 31.700 -0.054 0.000 0.923 441 D N -0.389 119.525 120.400 -0.809 0.000 2.289 441 D HA -0.042 4.596 4.640 -0.004 0.000 0.207 441 D C 0.242 176.090 176.300 -0.754 0.000 0.966 441 D CA 0.388 53.402 54.000 -1.644 0.000 0.868 441 D CB -0.165 39.561 40.800 -1.791 0.000 0.943 441 D HN 0.365 nan 8.370 nan 0.000 0.514 442 S N -1.303 114.179 115.700 -0.364 0.000 2.564 442 S HA 0.445 4.913 4.470 -0.004 0.000 0.274 442 S C 0.685 175.259 174.600 -0.043 0.000 1.124 442 S CA -0.593 57.518 58.200 -0.148 0.000 0.869 442 S CB 1.851 64.980 63.200 -0.120 0.000 1.105 442 S HN -0.147 nan 8.310 nan 0.000 0.472 443 V N 1.699 121.630 119.914 0.029 0.000 2.379 443 V HA -0.023 4.095 4.120 -0.004 0.000 0.245 443 V C 3.001 179.169 176.094 0.123 0.000 1.044 443 V CA 2.032 64.387 62.300 0.091 0.000 1.036 443 V CB -1.736 30.168 31.823 0.134 0.000 0.664 443 V HN 1.043 nan 8.190 nan 0.000 0.453 444 A N 0.963 123.836 122.820 0.088 0.000 1.892 444 A HA -0.177 4.141 4.320 -0.004 0.000 0.218 444 A C 0.695 178.344 177.584 0.109 0.000 1.188 444 A CA 2.384 54.474 52.037 0.088 0.000 0.631 444 A CB -1.994 17.016 19.000 0.017 0.000 0.822 444 A HN 0.566 nan 8.150 nan 0.000 0.447 445 P HA -0.037 nan 4.420 nan 0.000 0.226 445 P C 1.113 178.467 177.300 0.091 0.000 1.153 445 P CA 0.971 64.107 63.100 0.060 0.000 0.777 445 P CB -0.107 31.601 31.700 0.013 0.000 0.794 446 I N -7.166 113.467 120.570 0.105 0.000 3.928 446 I HA 0.303 4.471 4.170 -0.004 0.000 0.335 446 I C 0.453 176.648 176.117 0.131 0.000 1.325 446 I CA -0.787 60.571 61.300 0.096 0.000 1.107 446 I CB -0.466 37.569 38.000 0.058 0.000 1.014 446 I HN -0.211 nan 8.210 nan 0.000 0.400 447 W N 4.714 126.026 121.300 0.019 0.000 2.231 447 W HA 0.196 4.855 4.660 -0.002 0.000 0.341 447 W C -0.016 176.520 176.519 0.028 0.000 1.298 447 W CA 0.518 57.878 57.345 0.026 0.000 1.266 447 W CB 0.404 29.877 29.460 0.022 0.000 1.172 447 W HN 0.474 nan 8.180 nan 0.000 0.568 448 N N 3.461 121.655 118.700 -0.844 0.000 2.396 448 N HA 0.259 4.997 4.740 -0.004 0.000 0.275 448 N C -0.343 174.331 175.510 -1.393 0.000 1.218 448 N CA -0.876 51.691 53.050 -0.806 0.000 0.812 448 N CB 1.149 39.449 38.487 -0.313 0.000 1.592 448 N HN 0.401 nan 8.380 nan 0.000 0.480 449 L N 0.923 121.612 121.223 -0.890 0.000 2.127 449 L HA 0.062 4.399 4.340 -0.004 0.000 0.211 449 L C 1.782 178.458 176.870 -0.323 0.000 1.089 449 L CA 1.740 56.262 54.840 -0.529 0.000 0.757 449 L CB -0.379 41.630 42.059 -0.082 0.000 0.899 449 L HN 0.669 nan 8.230 nan 0.000 0.434 450 R N -0.475 119.871 120.500 -0.257 0.000 2.276 450 R HA 0.139 4.476 4.340 -0.004 0.000 0.203 450 R C 1.193 177.412 176.300 -0.136 0.000 1.017 450 R CA 0.612 56.635 56.100 -0.129 0.000 1.010 450 R CB -0.343 29.919 30.300 -0.064 0.000 0.900 450 R HN 0.541 nan 8.270 nan 0.000 0.469 451 G N 1.580 110.214 108.800 -0.277 0.000 2.249 451 G HA2 -0.268 3.690 3.960 -0.004 0.000 0.273 451 G HA3 -0.268 3.690 3.960 -0.004 0.000 0.273 451 G C 0.267 175.114 174.900 -0.088 0.000 1.036 451 G CA 0.519 45.491 45.100 -0.214 0.000 0.824 451 G HN 0.285 nan 8.290 nan 0.000 0.504 452 V N -3.111 116.750 119.914 -0.087 0.000 3.109 452 V HA 0.808 4.925 4.120 -0.004 0.000 0.317 452 V C 1.573 177.654 176.094 -0.020 0.000 1.074 452 V CA -0.544 61.741 62.300 -0.024 0.000 1.033 452 V CB 1.510 33.332 31.823 -0.001 0.000 1.111 452 V HN 1.093 nan 8.190 nan 0.000 0.458 453 L N 0.087 121.317 121.223 0.012 0.000 3.597 453 L HA -0.147 4.190 4.340 -0.004 0.000 0.440 453 L C 0.675 177.569 176.870 0.039 0.000 1.277 453 L CA 0.985 55.846 54.840 0.034 0.000 0.852 453 L CB -1.508 40.570 42.059 0.032 0.000 1.708 453 L HN 0.969 nan 8.230 nan 0.000 0.885 454 S N 0.209 115.935 115.700 0.043 0.000 2.681 454 S HA 0.436 4.904 4.470 -0.004 0.000 0.313 454 S C 1.054 175.707 174.600 0.088 0.000 1.137 454 S CA 0.221 58.457 58.200 0.060 0.000 1.045 454 S CB 0.149 63.384 63.200 0.059 0.000 1.208 454 S HN 0.454 nan 8.310 nan 0.000 0.523 455 T N 1.261 115.877 114.554 0.102 0.000 3.275 455 T HA 0.538 4.885 4.350 -0.004 0.000 0.298 455 T C 0.485 175.281 174.700 0.160 0.000 0.988 455 T CA -0.029 62.152 62.100 0.135 0.000 0.936 455 T CB 0.173 69.123 68.868 0.136 0.000 1.159 455 T HN 0.576 nan 8.240 nan 0.000 0.519 456 A N 1.133 124.036 122.820 0.138 0.000 2.386 456 A HA 0.471 4.788 4.320 -0.004 0.000 0.246 456 A C 0.158 177.916 177.584 0.290 0.000 1.089 456 A CA -0.569 51.545 52.037 0.129 0.000 0.790 456 A CB -0.137 18.900 19.000 0.062 0.000 1.042 456 A HN 0.530 nan 8.150 nan 0.000 0.497 457 W N 1.265 122.636 121.300 0.119 0.000 2.347 457 W HA 0.075 4.733 4.660 -0.003 0.000 0.333 457 W C 0.980 177.613 176.519 0.188 0.000 1.383 457 W CA 0.183 57.617 57.345 0.148 0.000 1.283 457 W CB -0.862 28.699 29.460 0.168 0.000 1.253 457 W HN 0.663 nan 8.180 nan 0.000 0.563 458 H N 4.570 123.811 119.070 0.285 0.000 2.803 458 H HA 0.267 4.821 4.556 -0.004 0.000 0.330 458 H C -0.191 175.246 175.328 0.181 0.000 1.057 458 H CA -0.061 56.100 56.048 0.188 0.000 1.458 458 H CB 0.542 30.381 29.762 0.128 0.000 1.470 458 H HN 0.322 nan 8.280 nan 0.000 0.560 459 R N 4.187 124.625 120.500 -0.102 0.000 2.480 459 R HA 0.398 4.735 4.340 -0.004 0.000 0.306 459 R C -1.351 174.793 176.300 -0.260 0.000 0.958 459 R CA -0.918 55.107 56.100 -0.125 0.000 0.861 459 R CB 2.397 32.712 30.300 0.026 0.000 1.171 459 R HN 0.250 nan 8.270 nan 0.000 0.445 460 V N 3.815 123.595 119.914 -0.222 0.000 2.443 460 V HA 0.401 4.519 4.120 -0.004 0.000 0.293 460 V C -0.094 175.956 176.094 -0.072 0.000 1.021 460 V CA -0.848 61.357 62.300 -0.159 0.000 0.848 460 V CB 1.753 33.479 31.823 -0.162 0.000 0.998 460 V HN 0.645 nan 8.190 nan 0.000 0.424 461 R N 3.263 123.739 120.500 -0.041 0.000 2.254 461 R HA 0.738 5.075 4.340 -0.004 0.000 0.318 461 R C -0.591 175.699 176.300 -0.017 0.000 1.031 461 R CA -0.357 55.728 56.100 -0.025 0.000 0.905 461 R CB 1.795 32.087 30.300 -0.014 0.000 1.050 461 R HN 0.668 nan 8.270 nan 0.000 0.456 462 V N -1.063 118.841 119.914 -0.017 0.000 3.078 462 V HA 0.640 4.758 4.120 -0.004 0.000 0.311 462 V C -0.468 175.619 176.094 -0.012 0.000 1.138 462 V CA -0.871 61.422 62.300 -0.011 0.000 1.007 462 V CB 2.441 34.258 31.823 -0.009 0.000 1.045 462 V HN 0.609 nan 8.190 nan 0.000 0.432 463 S N 1.206 116.901 115.700 -0.008 0.000 2.501 463 S HA 0.745 5.213 4.470 -0.004 0.000 0.301 463 S C -0.415 174.181 174.600 -0.007 0.000 1.096 463 S CA -0.591 57.604 58.200 -0.008 0.000 1.063 463 S CB 1.669 64.866 63.200 -0.005 0.000 1.042 463 S HN 0.833 nan 8.310 nan 0.000 0.494 464 V N 3.712 123.621 119.914 -0.009 0.000 2.432 464 V HA 0.226 4.343 4.120 -0.004 0.000 0.275 464 V C 0.408 176.499 176.094 -0.006 0.000 1.043 464 V CA -0.684 61.612 62.300 -0.008 0.000 0.925 464 V CB 0.845 32.662 31.823 -0.010 0.000 0.985 464 V HN 0.843 nan 8.190 nan 0.000 0.466 465 Q N 2.582 122.380 119.800 -0.004 0.000 2.479 465 Q HA 0.090 4.428 4.340 -0.004 0.000 0.267 465 Q C -0.119 175.879 176.000 -0.004 0.000 1.071 465 Q CA 0.064 55.865 55.803 -0.003 0.000 0.935 465 Q CB 0.531 29.267 28.738 -0.002 0.000 1.295 465 Q HN 0.650 nan 8.270 nan 0.000 0.476 466 D N 0.000 120.398 120.400 -0.003 0.000 6.856 466 D HA 0.000 4.638 4.640 -0.004 0.000 0.175 466 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 466 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 466 D HN 0.000 nan 8.370 nan 0.000 0.683