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 1d3y_1_B DATA FIRST_RESID 71 DATA SEQUENCE NQAKIFAQTT KMLEFAKQLL ETDDFSTLRE AYYVSKNWGE ARFDDQQASN DATA SEQUENCE NVIEDLEAAL GVLREHLGFI PEEDGSSVVG PLKIIEETPE GELVVDCTKL DATA SEQUENCE GTGAYNIPND VTKLNLETDA DFILAIETSG MFARLNAERF WDKHNCILVS DATA SEQUENCE LKGVPARATR RFIKRLHEEH DLPVLVFTDG DPYGYLNIYR TLKVGXXXXX DATA SEQUENCE XXXXKLSIPA ARLIGVTPQD IIDYDLPTHP LKEQDIKRIK DGLKNDDFVR DATA SEQUENCE SFPEWQKALK QMLDMGVRAE QQSLAKYGLK YVVNTYLPEK IKDESTWLP 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 71 N HA 0.000 nan 4.740 nan 0.000 0.220 71 N C 0.000 175.546 175.510 0.061 0.000 1.280 71 N CA 0.000 53.078 53.050 0.047 0.000 0.885 71 N CB 0.000 38.508 38.487 0.035 0.000 1.341 72 Q N -0.321 119.508 119.800 0.049 0.000 1.978 72 Q HA -0.287 4.060 4.340 0.012 0.000 0.211 72 Q C 1.513 177.563 176.000 0.084 0.000 1.013 72 Q CA 2.719 58.553 55.803 0.053 0.000 0.869 72 Q CB -1.249 27.497 28.738 0.013 0.000 0.953 72 Q HN 0.736 nan 8.270 nan 0.000 0.415 73 A N 1.457 124.313 122.820 0.059 0.000 1.898 73 A HA -0.167 4.160 4.320 0.012 0.000 0.216 73 A C 2.205 179.859 177.584 0.116 0.000 1.181 73 A CA 1.747 53.831 52.037 0.078 0.000 0.620 73 A CB -0.590 18.430 19.000 0.033 0.000 0.819 73 A HN 0.480 nan 8.150 nan 0.000 0.442 74 K N -0.230 120.219 120.400 0.083 0.000 2.026 74 K HA -0.111 4.216 4.320 0.012 0.000 0.208 74 K C 1.840 178.493 176.600 0.087 0.000 1.048 74 K CA 1.736 58.064 56.287 0.069 0.000 0.929 74 K CB -0.328 32.205 32.500 0.056 0.000 0.713 74 K HN 0.496 nan 8.250 nan 0.000 0.439 75 I N 0.381 121.024 120.570 0.121 0.000 2.286 75 I HA -0.258 3.919 4.170 0.012 0.000 0.248 75 I C 2.204 178.405 176.117 0.139 0.000 1.115 75 I CA 0.982 62.368 61.300 0.142 0.000 1.392 75 I CB -0.237 37.852 38.000 0.147 0.000 1.065 75 I HN 0.154 nan 8.210 nan 0.000 0.418 76 F N 1.489 121.454 119.950 0.025 0.000 2.146 76 F HA -0.207 4.327 4.527 0.012 0.000 0.298 76 F C 2.505 178.295 175.800 -0.017 0.000 1.096 76 F CA 1.437 59.442 58.000 0.010 0.000 1.275 76 F CB -0.306 38.696 39.000 0.003 0.000 1.008 76 F HN -0.002 nan 8.300 nan 0.000 0.480 77 A N -0.250 122.627 122.820 0.094 0.000 1.902 77 A HA -0.239 4.088 4.320 0.012 0.000 0.217 77 A C 2.104 179.590 177.584 -0.163 0.000 1.181 77 A CA 1.839 53.854 52.037 -0.036 0.000 0.623 77 A CB -0.838 18.161 19.000 -0.003 0.000 0.818 77 A HN 0.566 nan 8.150 nan 0.000 0.443 78 Q N -0.957 118.775 119.800 -0.113 0.000 2.124 78 Q HA -0.122 4.225 4.340 0.012 0.000 0.202 78 Q C 2.135 178.087 176.000 -0.081 0.000 0.977 78 Q CA 1.850 57.572 55.803 -0.135 0.000 0.850 78 Q CB -0.417 28.260 28.738 -0.101 0.000 0.901 78 Q HN 0.663 nan 8.270 nan 0.000 0.429 79 T N 0.389 114.893 114.554 -0.082 0.000 2.821 79 T HA -0.120 4.237 4.350 0.012 0.000 0.267 79 T C 1.925 176.497 174.700 -0.213 0.000 1.046 79 T CA 1.634 63.667 62.100 -0.111 0.000 1.139 79 T CB -0.328 68.428 68.868 -0.187 0.000 0.871 79 T HN 0.325 nan 8.240 nan 0.000 0.454 80 T N 2.139 116.488 114.554 -0.341 0.000 2.746 80 T HA -0.072 4.285 4.350 0.012 0.000 0.267 80 T C 2.071 176.599 174.700 -0.286 0.000 1.039 80 T CA 0.857 62.773 62.100 -0.308 0.000 1.142 80 T CB -0.094 68.595 68.868 -0.298 0.000 0.866 80 T HN 0.229 nan 8.240 nan 0.000 0.444 81 K N 0.783 120.908 120.400 -0.458 0.000 2.097 81 K HA 0.101 4.428 4.320 0.012 0.000 0.205 81 K C 2.183 178.486 176.600 -0.494 0.000 1.050 81 K CA 0.895 56.705 56.287 -0.797 0.000 0.938 81 K CB -0.474 30.984 32.500 -1.736 0.000 0.718 81 K HN 0.301 nan 8.250 nan 0.000 0.442 82 M N 0.630 120.132 119.600 -0.163 0.000 2.229 82 M HA -0.033 4.454 4.480 0.012 0.000 0.264 82 M C 1.801 178.306 176.300 0.343 0.000 1.063 82 M CA 1.199 56.700 55.300 0.335 0.000 1.114 82 M CB -0.063 32.757 32.600 0.366 0.000 1.387 82 M HN 0.005 nan 8.290 nan 0.000 0.420 83 L N -0.747 120.554 121.223 0.130 0.000 2.240 83 L HA -0.110 4.237 4.340 0.012 0.000 0.211 83 L C 2.255 179.177 176.870 0.086 0.000 1.106 83 L CA 0.983 55.888 54.840 0.110 0.000 0.793 83 L CB -0.495 41.573 42.059 0.015 0.000 0.927 83 L HN 0.308 nan 8.230 nan 0.000 0.446 84 E N 0.433 120.662 120.200 0.047 0.000 2.106 84 E HA -0.261 4.096 4.350 0.012 0.000 0.192 84 E C 2.039 178.743 176.600 0.173 0.000 0.984 84 E CA 1.332 57.762 56.400 0.050 0.000 0.806 84 E CB -0.306 29.374 29.700 -0.033 0.000 0.750 84 E HN 0.426 nan 8.360 nan 0.000 0.458 85 F N 0.148 120.156 119.950 0.097 0.000 2.146 85 F HA -0.103 4.431 4.527 0.012 0.000 0.298 85 F C 2.066 177.930 175.800 0.105 0.000 1.096 85 F CA 1.065 59.176 58.000 0.185 0.000 1.275 85 F CB -0.114 39.129 39.000 0.406 0.000 1.008 85 F HN 0.187 nan 8.300 nan 0.000 0.480 86 A N 0.532 123.384 122.820 0.053 0.000 1.933 86 A HA -0.245 4.082 4.320 0.012 0.000 0.218 86 A C 2.182 179.681 177.584 -0.141 0.000 1.175 86 A CA 1.840 53.744 52.037 -0.221 0.000 0.628 86 A CB -0.816 18.159 19.000 -0.041 0.000 0.814 86 A HN 0.497 nan 8.150 nan 0.000 0.444 87 K N -0.333 120.051 120.400 -0.026 0.000 2.063 87 K HA -0.229 4.098 4.320 0.012 0.000 0.208 87 K C 2.163 178.747 176.600 -0.027 0.000 1.048 87 K CA 1.817 58.092 56.287 -0.020 0.000 0.928 87 K CB -0.251 32.254 32.500 0.008 0.000 0.713 87 K HN 0.628 nan 8.250 nan 0.000 0.442 88 Q N 0.424 120.228 119.800 0.006 0.000 2.124 88 Q HA -0.127 4.220 4.340 0.012 0.000 0.202 88 Q C 2.287 178.257 176.000 -0.049 0.000 0.977 88 Q CA 1.416 57.231 55.803 0.021 0.000 0.850 88 Q CB -0.089 28.727 28.738 0.129 0.000 0.901 88 Q HN 0.360 nan 8.270 nan 0.000 0.429 89 L N 0.322 121.441 121.223 -0.173 0.000 1.994 89 L HA -0.232 4.115 4.340 0.012 0.000 0.208 89 L C 2.359 179.141 176.870 -0.147 0.000 1.071 89 L CA 1.161 55.856 54.840 -0.242 0.000 0.745 89 L CB -0.534 41.237 42.059 -0.481 0.000 0.892 89 L HN 0.251 nan 8.230 nan 0.000 0.431 90 L N -0.126 121.015 121.223 -0.137 0.000 2.046 90 L HA -0.205 4.142 4.340 0.012 0.000 0.208 90 L C 2.718 179.558 176.870 -0.050 0.000 1.077 90 L CA 1.578 56.368 54.840 -0.084 0.000 0.747 90 L CB -0.698 41.316 42.059 -0.075 0.000 0.896 90 L HN 0.448 nan 8.230 nan 0.000 0.432 91 E N 0.180 120.355 120.200 -0.041 0.000 2.274 91 E HA -0.177 4.180 4.350 0.012 0.000 0.194 91 E C 1.437 178.026 176.600 -0.018 0.000 0.996 91 E CA 1.575 57.962 56.400 -0.022 0.000 0.840 91 E CB -0.214 29.479 29.700 -0.012 0.000 0.772 91 E HN 0.513 nan 8.360 nan 0.000 0.491 92 T N -1.780 112.759 114.554 -0.024 0.000 3.145 92 T HA 0.095 4.452 4.350 0.012 0.000 0.255 92 T C 0.232 174.923 174.700 -0.016 0.000 1.039 92 T CA 0.198 62.287 62.100 -0.017 0.000 0.928 92 T CB -0.057 68.801 68.868 -0.016 0.000 1.029 92 T HN 0.169 nan 8.240 nan 0.000 0.554 93 D N 0.785 121.175 120.400 -0.017 0.000 2.689 93 D HA -0.153 4.494 4.640 0.012 0.000 0.237 93 D C -0.583 175.729 176.300 0.020 0.000 1.148 93 D CA 0.806 54.807 54.000 0.003 0.000 0.656 93 D CB -1.264 39.544 40.800 0.013 0.000 1.050 93 D HN 0.592 nan 8.370 nan 0.000 0.426 94 D N -1.091 119.300 120.400 -0.015 0.000 2.585 94 D HA 0.717 5.364 4.640 0.012 0.000 0.254 94 D C -0.242 176.052 176.300 -0.009 0.000 1.067 94 D CA -0.627 53.351 54.000 -0.038 0.000 1.090 94 D CB 0.927 41.642 40.800 -0.141 0.000 1.408 94 D HN 0.069 nan 8.370 nan 0.000 0.554 95 F N -1.211 118.682 119.950 -0.095 0.000 2.650 95 F HA 0.721 5.256 4.527 0.013 0.000 0.320 95 F C -0.751 174.992 175.800 -0.095 0.000 1.091 95 F CA -1.016 56.905 58.000 -0.132 0.000 0.962 95 F CB 1.579 40.543 39.000 -0.060 0.000 1.363 95 F HN 0.099 nan 8.300 nan 0.000 0.482 96 S N 0.679 116.440 115.700 0.102 0.000 2.614 96 S HA 0.542 5.019 4.470 0.012 0.000 0.288 96 S C -0.541 174.306 174.600 0.411 0.000 1.137 96 S CA -0.215 58.109 58.200 0.206 0.000 0.992 96 S CB 0.865 64.218 63.200 0.255 0.000 1.026 96 S HN 1.169 nan 8.310 nan 0.000 0.486 97 T N 3.021 117.818 114.554 0.405 0.000 2.766 97 T HA 0.327 4.684 4.350 0.012 0.000 0.295 97 T C 1.795 176.660 174.700 0.275 0.000 1.024 97 T CA -0.625 61.663 62.100 0.315 0.000 1.018 97 T CB 0.121 69.142 68.868 0.254 0.000 1.002 97 T HN 0.588 nan 8.240 nan 0.000 0.532 98 L N 0.208 121.538 121.223 0.178 0.000 2.046 98 L HA -0.076 4.271 4.340 0.012 0.000 0.208 98 L C 3.292 180.215 176.870 0.089 0.000 1.077 98 L CA 1.429 56.328 54.840 0.099 0.000 0.747 98 L CB -0.574 41.490 42.059 0.010 0.000 0.896 98 L HN 0.697 nan 8.230 nan 0.000 0.432 99 R N 0.058 120.629 120.500 0.117 0.000 2.092 99 R HA -0.132 4.215 4.340 0.012 0.000 0.231 99 R C 2.168 178.618 176.300 0.250 0.000 1.119 99 R CA 1.121 57.312 56.100 0.152 0.000 0.970 99 R CB -0.258 30.182 30.300 0.233 0.000 0.864 99 R HN 0.441 nan 8.270 nan 0.000 0.440 100 E N 0.745 121.107 120.200 0.270 0.000 2.085 100 E HA -0.218 4.139 4.350 0.012 0.000 0.194 100 E C 2.067 178.818 176.600 0.251 0.000 0.994 100 E CA 1.340 57.907 56.400 0.278 0.000 0.801 100 E CB -0.119 29.735 29.700 0.258 0.000 0.743 100 E HN 0.363 nan 8.360 nan 0.000 0.453 101 A N 0.841 123.848 122.820 0.312 0.000 1.877 101 A HA -0.234 4.093 4.320 0.012 0.000 0.216 101 A C 2.067 179.688 177.584 0.060 0.000 1.186 101 A CA 1.586 53.829 52.037 0.342 0.000 0.620 101 A CB -0.884 18.347 19.000 0.385 0.000 0.822 101 A HN 0.433 nan 8.150 nan 0.000 0.443 102 Y N -0.515 119.699 120.300 -0.143 0.000 2.114 102 Y HA -0.299 4.258 4.550 0.012 0.000 0.282 102 Y C 2.091 177.780 175.900 -0.352 0.000 1.165 102 Y CA 1.854 59.777 58.100 -0.294 0.000 1.148 102 Y CB -0.757 37.408 38.460 -0.491 0.000 0.972 102 Y HN 0.431 nan 8.280 nan 0.000 0.504 103 Y N -1.613 118.520 120.300 -0.278 0.000 2.314 103 Y HA -0.133 4.424 4.550 0.012 0.000 0.293 103 Y C 2.525 178.187 175.900 -0.396 0.000 1.129 103 Y CA 0.907 58.768 58.100 -0.398 0.000 1.201 103 Y CB -0.333 38.007 38.460 -0.201 0.000 0.999 103 Y HN -0.077 nan 8.280 nan 0.000 0.541 104 V N -0.176 119.587 119.914 -0.251 0.000 2.490 104 V HA -0.311 3.816 4.120 0.012 0.000 0.250 104 V C 2.394 177.976 176.094 -0.853 0.000 1.061 104 V CA 2.114 64.136 62.300 -0.463 0.000 1.064 104 V CB -0.871 30.584 31.823 -0.614 0.000 0.670 104 V HN 0.565 nan 8.190 nan 0.000 0.461 105 S N -0.326 114.715 115.700 -1.098 0.000 2.500 105 S HA -0.166 4.311 4.470 0.012 0.000 0.239 105 S C 1.757 175.758 174.600 -0.998 0.000 0.989 105 S CA 0.771 57.908 58.200 -1.772 0.000 0.951 105 S CB -0.326 62.205 63.200 -1.115 0.000 0.759 105 S HN 0.489 nan 8.310 nan 0.000 0.523 106 K N 1.937 121.969 120.400 -0.613 0.000 2.515 106 K HA 0.154 4.481 4.320 0.012 0.000 0.196 106 K C 0.935 177.388 176.600 -0.245 0.000 1.038 106 K CA 0.309 56.385 56.287 -0.352 0.000 0.967 106 K CB -0.542 31.806 32.500 -0.254 0.000 0.780 106 K HN 0.534 nan 8.250 nan 0.000 0.483 107 N N -0.409 118.114 118.700 -0.294 0.000 2.398 107 N HA -0.049 4.698 4.740 0.012 0.000 0.188 107 N C 0.111 175.691 175.510 0.118 0.000 1.122 107 N CA 0.322 53.319 53.050 -0.088 0.000 0.866 107 N CB 0.217 38.675 38.487 -0.049 0.000 0.970 107 N HN 0.225 nan 8.380 nan 0.000 0.462 108 W N 1.696 122.926 121.300 -0.117 0.000 3.269 108 W HA 0.382 5.049 4.660 0.012 0.000 0.413 108 W C 1.471 177.929 176.519 -0.101 0.000 1.057 108 W CA -0.830 56.444 57.345 -0.118 0.000 1.953 108 W CB -1.099 28.262 29.460 -0.165 0.000 1.053 108 W HN -0.020 nan 8.180 nan 0.000 0.753 109 G N 2.594 111.455 108.800 0.103 0.000 2.660 109 G HA2 -0.457 3.510 3.960 0.012 0.000 0.321 109 G HA3 -0.457 3.510 3.960 0.012 0.000 0.321 109 G C 1.308 176.228 174.900 0.034 0.000 1.246 109 G CA 1.312 46.440 45.100 0.046 0.000 1.000 109 G HN 0.305 nan 8.290 nan 0.000 0.550 110 E N 1.915 122.131 120.200 0.026 0.000 2.478 110 E HA 0.246 4.603 4.350 0.012 0.000 0.198 110 E C 1.988 178.596 176.600 0.014 0.000 1.046 110 E CA 1.654 58.064 56.400 0.016 0.000 0.870 110 E CB -0.401 29.306 29.700 0.012 0.000 0.818 110 E HN 1.341 nan 8.360 nan 0.000 0.527 111 A N 1.899 124.738 122.820 0.032 0.000 2.423 111 A HA 0.114 4.441 4.320 0.012 0.000 0.246 111 A C 0.996 178.583 177.584 0.005 0.000 1.278 111 A CA -0.377 51.668 52.037 0.014 0.000 0.903 111 A CB -0.490 18.509 19.000 -0.001 0.000 0.997 111 A HN 0.304 nan 8.150 nan 0.000 0.510 112 R N -0.926 119.563 120.500 -0.019 0.000 2.694 112 R HA 0.344 4.691 4.340 0.012 0.000 0.268 112 R C -1.174 175.014 176.300 -0.187 0.000 1.061 112 R CA -0.184 55.825 56.100 -0.152 0.000 1.133 112 R CB 0.144 30.369 30.300 -0.124 0.000 1.020 112 R HN 0.097 nan 8.270 nan 0.000 0.475 113 F N 1.142 121.089 119.950 -0.006 0.000 2.429 113 F HA 0.058 4.592 4.527 0.012 0.000 0.348 113 F C 1.245 177.128 175.800 0.138 0.000 1.109 113 F CA -0.205 57.851 58.000 0.094 0.000 1.232 113 F CB 1.035 40.135 39.000 0.166 0.000 1.157 113 F HN 0.618 nan 8.300 nan 0.000 0.564 114 D N 0.868 121.456 120.400 0.314 0.000 2.194 114 D HA -0.031 4.617 4.640 0.012 0.000 0.204 114 D C -0.067 176.370 176.300 0.228 0.000 0.964 114 D CA 1.259 55.383 54.000 0.208 0.000 0.846 114 D CB -0.144 40.733 40.800 0.128 0.000 0.962 114 D HN 0.671 nan 8.370 nan 0.000 0.490 115 D N -2.424 118.073 120.400 0.160 0.000 2.599 115 D HA 0.134 4.781 4.640 0.012 0.000 0.252 115 D C 0.554 176.491 176.300 -0.605 0.000 1.232 115 D CA -0.693 53.216 54.000 -0.151 0.000 0.819 115 D CB 1.163 41.893 40.800 -0.116 0.000 1.401 115 D HN -0.385 nan 8.370 nan 0.000 0.429 116 Q N -0.060 119.140 119.800 -1.000 0.000 2.096 116 Q HA -0.240 4.107 4.340 0.012 0.000 0.204 116 Q C 1.878 177.540 176.000 -0.562 0.000 0.982 116 Q CA 2.234 57.418 55.803 -1.031 0.000 0.850 116 Q CB -0.216 28.081 28.738 -0.736 0.000 0.901 116 Q HN 0.603 nan 8.270 nan 0.000 0.422 117 Q N -0.597 118.978 119.800 -0.374 0.000 2.084 117 Q HA -0.083 4.264 4.340 0.012 0.000 0.202 117 Q C 1.834 177.674 176.000 -0.266 0.000 0.978 117 Q CA 2.020 57.667 55.803 -0.260 0.000 0.844 117 Q CB -0.639 27.997 28.738 -0.170 0.000 0.898 117 Q HN 0.460 nan 8.270 nan 0.000 0.426 118 A N -0.658 122.010 122.820 -0.253 0.000 1.933 118 A HA -0.178 4.149 4.320 0.012 0.000 0.218 118 A C 2.286 179.518 177.584 -0.586 0.000 1.175 118 A CA 1.800 53.712 52.037 -0.208 0.000 0.628 118 A CB -1.075 17.944 19.000 0.031 0.000 0.814 118 A HN 0.437 nan 8.150 nan 0.000 0.444 119 S N 0.039 115.120 115.700 -1.032 0.000 2.356 119 S HA -0.179 4.298 4.470 0.012 0.000 0.223 119 S C 1.958 176.115 174.600 -0.738 0.000 1.032 119 S CA 1.605 58.852 58.200 -1.588 0.000 1.005 119 S CB -0.541 62.045 63.200 -1.022 0.000 0.867 119 S HN 0.657 nan 8.310 nan 0.000 0.449 120 N N 2.422 120.836 118.700 -0.476 0.000 2.149 120 N HA -0.051 4.696 4.740 0.012 0.000 0.188 120 N C 1.446 176.813 175.510 -0.239 0.000 1.019 120 N CA 1.155 54.024 53.050 -0.301 0.000 0.857 120 N CB -0.887 37.463 38.487 -0.228 0.000 0.997 120 N HN 0.419 nan 8.380 nan 0.000 0.426 121 N N 0.419 118.984 118.700 -0.225 0.000 2.120 121 N HA -0.077 4.670 4.740 0.012 0.000 0.188 121 N C 1.792 177.242 175.510 -0.100 0.000 1.024 121 N CA 0.565 53.536 53.050 -0.132 0.000 0.852 121 N CB -0.504 37.928 38.487 -0.092 0.000 1.003 121 N HN 0.061 nan 8.380 nan 0.000 0.424 122 V N 1.520 121.362 119.914 -0.121 0.000 2.358 122 V HA -0.137 3.990 4.120 0.012 0.000 0.246 122 V C 2.240 178.282 176.094 -0.087 0.000 1.047 122 V CA 1.072 63.353 62.300 -0.031 0.000 1.035 122 V CB -0.334 31.563 31.823 0.123 0.000 0.658 122 V HN 0.222 nan 8.190 nan 0.000 0.452 123 I N -0.263 120.187 120.570 -0.199 0.000 2.202 123 I HA -0.225 3.952 4.170 0.012 0.000 0.242 123 I C 2.571 178.626 176.117 -0.103 0.000 1.091 123 I CA 1.558 62.714 61.300 -0.240 0.000 1.368 123 I CB -0.397 37.367 38.000 -0.392 0.000 1.058 123 I HN 0.376 nan 8.210 nan 0.000 0.410 124 E N 0.740 120.885 120.200 -0.091 0.000 2.058 124 E HA -0.260 4.097 4.350 0.012 0.000 0.194 124 E C 1.673 178.259 176.600 -0.023 0.000 0.997 124 E CA 1.566 57.937 56.400 -0.049 0.000 0.801 124 E CB -0.146 29.521 29.700 -0.055 0.000 0.746 124 E HN 0.465 nan 8.360 nan 0.000 0.450 125 D N 0.514 120.902 120.400 -0.020 0.000 2.178 125 D HA -0.090 4.557 4.640 0.012 0.000 0.202 125 D C 2.003 178.313 176.300 0.017 0.000 0.974 125 D CA 0.586 54.588 54.000 0.004 0.000 0.841 125 D CB -0.108 40.700 40.800 0.013 0.000 0.953 125 D HN 0.135 nan 8.370 nan 0.000 0.478 126 L N 0.556 121.789 121.223 0.016 0.000 2.056 126 L HA -0.133 4.214 4.340 0.012 0.000 0.207 126 L C 2.440 179.340 176.870 0.051 0.000 1.078 126 L CA 1.072 55.936 54.840 0.040 0.000 0.749 126 L CB -0.286 41.811 42.059 0.063 0.000 0.901 126 L HN 0.055 nan 8.230 nan 0.000 0.433 127 E N 0.424 120.650 120.200 0.044 0.000 2.051 127 E HA -0.257 4.100 4.350 0.012 0.000 0.192 127 E C 2.167 178.786 176.600 0.032 0.000 0.991 127 E CA 1.332 57.758 56.400 0.043 0.000 0.799 127 E CB 0.012 29.729 29.700 0.029 0.000 0.748 127 E HN 0.456 nan 8.360 nan 0.000 0.449 128 A N 0.803 123.637 122.820 0.023 0.000 1.930 128 A HA 0.013 4.340 4.320 0.012 0.000 0.217 128 A C 2.277 179.878 177.584 0.028 0.000 1.175 128 A CA 1.580 53.630 52.037 0.021 0.000 0.627 128 A CB -0.459 18.550 19.000 0.015 0.000 0.815 128 A HN 0.406 nan 8.150 nan 0.000 0.443 129 A N -0.657 122.183 122.820 0.034 0.000 1.975 129 A HA 0.250 4.577 4.320 0.012 0.000 0.215 129 A C 1.970 179.578 177.584 0.041 0.000 1.170 129 A CA 0.995 53.055 52.037 0.039 0.000 0.656 129 A CB -0.306 18.721 19.000 0.044 0.000 0.821 129 A HN 0.424 nan 8.150 nan 0.000 0.449 130 L N -1.511 119.738 121.223 0.044 0.000 2.416 130 L HA 0.220 4.567 4.340 0.012 0.000 0.216 130 L C 1.623 178.520 176.870 0.045 0.000 1.098 130 L CA 0.591 55.458 54.840 0.046 0.000 0.840 130 L CB -0.331 41.761 42.059 0.055 0.000 0.981 130 L HN 0.532 nan 8.230 nan 0.000 0.462 131 G N 1.145 109.970 108.800 0.043 0.000 2.160 131 G HA2 -0.224 3.743 3.960 0.012 0.000 0.244 131 G HA3 -0.224 3.743 3.960 0.012 0.000 0.244 131 G C -0.121 174.810 174.900 0.052 0.000 1.022 131 G CA 0.138 45.262 45.100 0.040 0.000 0.741 131 G HN 0.138 nan 8.290 nan 0.000 0.508 132 V N 0.496 120.447 119.914 0.061 0.000 2.604 132 V HA 0.635 4.762 4.120 0.012 0.000 0.305 132 V C 0.728 176.857 176.094 0.060 0.000 1.043 132 V CA -1.153 61.199 62.300 0.087 0.000 0.888 132 V CB 1.810 33.698 31.823 0.108 0.000 0.995 132 V HN 0.393 nan 8.190 nan 0.000 0.429 133 L N 5.162 126.393 121.223 0.014 0.000 2.543 133 L HA 0.091 4.438 4.340 0.012 0.000 0.285 133 L C 2.104 178.963 176.870 -0.018 0.000 1.236 133 L CA 0.680 55.472 54.840 -0.080 0.000 0.871 133 L CB 0.337 42.211 42.059 -0.307 0.000 1.121 133 L HN 0.825 nan 8.230 nan 0.000 0.501 134 R N 1.658 122.168 120.500 0.017 0.000 2.127 134 R HA -0.194 4.153 4.340 0.012 0.000 0.238 134 R C 1.133 177.506 176.300 0.122 0.000 1.134 134 R CA 1.884 58.054 56.100 0.117 0.000 0.975 134 R CB -0.392 29.979 30.300 0.118 0.000 0.865 134 R HN 0.707 nan 8.270 nan 0.000 0.447 135 E N 0.579 120.786 120.200 0.011 0.000 2.204 135 E HA -0.107 4.251 4.350 0.012 0.000 0.194 135 E C 1.527 178.163 176.600 0.059 0.000 0.989 135 E CA 1.224 57.627 56.400 0.004 0.000 0.824 135 E CB -0.171 29.497 29.700 -0.053 0.000 0.756 135 E HN 0.656 nan 8.360 nan 0.000 0.477 136 H N -0.709 118.370 119.070 0.014 0.000 2.547 136 H HA 0.091 4.654 4.556 0.012 0.000 0.272 136 H C 1.263 176.573 175.328 -0.030 0.000 0.989 136 H CA 0.215 56.259 56.048 -0.006 0.000 1.214 136 H CB 0.252 30.018 29.762 0.007 0.000 1.389 136 H HN 0.100 nan 8.280 nan 0.000 0.577 137 L N -0.962 120.311 121.223 0.083 0.000 2.567 137 L HA 0.193 4.540 4.340 0.012 0.000 0.225 137 L C 1.551 178.221 176.870 -0.334 0.000 1.119 137 L CA 0.555 55.377 54.840 -0.030 0.000 0.871 137 L CB 0.560 42.700 42.059 0.134 0.000 1.036 137 L HN 0.457 nan 8.230 nan 0.000 0.459 138 G N -0.270 108.366 108.800 -0.273 0.000 2.184 138 G HA2 -0.246 3.721 3.960 0.012 0.000 0.206 138 G HA3 -0.246 3.721 3.960 0.012 0.000 0.206 138 G C 0.013 174.664 174.900 -0.415 0.000 0.995 138 G CA -0.654 44.218 45.100 -0.381 0.000 0.651 138 G HN 0.173 nan 8.290 nan 0.000 0.511 139 F N 1.672 121.641 119.950 0.032 0.000 2.385 139 F HA 0.684 5.218 4.527 0.011 0.000 0.360 139 F C 0.936 176.764 175.800 0.048 0.000 1.122 139 F CA -0.942 57.089 58.000 0.052 0.000 1.090 139 F CB 0.995 40.022 39.000 0.045 0.000 1.150 139 F HN 0.277 nan 8.300 nan 0.000 0.472 140 I N 1.586 122.298 120.570 0.235 0.000 2.797 140 I HA 0.749 4.926 4.170 0.012 0.000 0.307 140 I C -2.851 173.323 176.117 0.094 0.000 1.033 140 I CA -3.001 58.364 61.300 0.108 0.000 1.071 140 I CB 2.060 40.062 38.000 0.003 0.000 1.255 140 I HN 0.177 nan 8.210 nan 0.000 0.445 141 P HA 0.141 nan 4.420 nan 0.000 0.272 141 P C -0.145 177.168 177.300 0.021 0.000 1.240 141 P CA -0.085 63.025 63.100 0.017 0.000 0.791 141 P CB 0.555 32.247 31.700 -0.013 0.000 0.978 142 E N 0.020 120.230 120.200 0.017 0.000 2.230 142 E HA -0.021 4.337 4.350 0.012 0.000 0.192 142 E C 0.052 176.649 176.600 -0.006 0.000 0.987 142 E CA 0.778 57.191 56.400 0.021 0.000 0.841 142 E CB 0.150 29.864 29.700 0.023 0.000 0.783 142 E HN 0.574 nan 8.360 nan 0.000 0.481 143 E N 2.292 122.479 120.200 -0.022 0.000 2.283 143 E HA 0.031 4.388 4.350 0.012 0.000 0.278 143 E C -0.256 176.309 176.600 -0.059 0.000 1.027 143 E CA -0.491 55.885 56.400 -0.040 0.000 0.843 143 E CB 0.820 30.496 29.700 -0.041 0.000 1.062 143 E HN 0.087 nan 8.360 nan 0.000 0.401 144 D N 1.937 122.291 120.400 -0.077 0.000 2.398 144 D HA 0.187 4.834 4.640 0.012 0.000 0.247 144 D C 0.560 176.790 176.300 -0.117 0.000 1.227 144 D CA -0.562 53.373 54.000 -0.109 0.000 0.980 144 D CB 0.468 41.189 40.800 -0.132 0.000 1.106 144 D HN 0.413 nan 8.370 nan 0.000 0.493 145 G N -1.097 107.613 108.800 -0.150 0.000 2.535 145 G HA2 0.434 4.401 3.960 0.012 0.000 0.282 145 G HA3 0.434 4.401 3.960 0.012 0.000 0.282 145 G C 0.318 175.102 174.900 -0.194 0.000 1.350 145 G CA 0.003 45.008 45.100 -0.158 0.000 1.039 145 G HN 0.655 nan 8.290 nan 0.000 0.509 146 S N -1.244 114.333 115.700 -0.206 0.000 2.414 146 S HA 0.620 5.097 4.470 0.012 0.000 0.267 146 S C 0.423 174.838 174.600 -0.309 0.000 1.165 146 S CA 0.193 58.251 58.200 -0.237 0.000 1.028 146 S CB 0.540 63.620 63.200 -0.200 0.000 1.154 146 S HN 1.118 nan 8.310 nan 0.000 0.472 147 S N -0.312 115.146 115.700 -0.403 0.000 2.537 147 S HA 0.763 5.240 4.470 0.012 0.000 0.301 147 S C -0.758 173.679 174.600 -0.270 0.000 1.092 147 S CA -0.794 57.151 58.200 -0.424 0.000 1.048 147 S CB 1.175 63.985 63.200 -0.650 0.000 1.053 147 S HN 0.801 nan 8.310 nan 0.000 0.501 148 V N 1.288 121.206 119.914 0.007 0.000 2.789 148 V HA 0.876 5.003 4.120 0.012 0.000 0.311 148 V C -0.235 175.990 176.094 0.218 0.000 1.073 148 V CA -0.831 61.580 62.300 0.184 0.000 0.921 148 V CB 1.189 33.092 31.823 0.133 0.000 1.009 148 V HN 1.109 nan 8.190 nan 0.000 0.426 149 V N -0.169 119.819 119.914 0.123 0.000 3.188 149 V HA 1.146 5.273 4.120 0.012 0.000 0.305 149 V C 0.015 175.826 176.094 -0.472 0.000 1.232 149 V CA 0.031 62.183 62.300 -0.246 0.000 1.043 149 V CB 1.326 32.878 31.823 -0.452 0.000 1.068 149 V HN 2.118 nan 8.190 nan 0.000 0.439 150 G N 1.210 109.488 108.800 -0.871 0.000 2.331 150 G HA2 0.208 4.176 3.960 0.012 0.000 0.402 150 G HA3 0.208 4.176 3.960 0.012 0.000 0.402 150 G C -3.360 171.343 174.900 -0.328 0.000 1.275 150 G CA -0.236 44.478 45.100 -0.643 0.000 1.003 150 G HN 0.918 nan 8.290 nan 0.000 0.500 151 P HA 0.459 nan 4.420 nan 0.000 0.264 151 P C -0.657 176.589 177.300 -0.090 0.000 1.537 151 P CA 0.448 63.526 63.100 -0.036 0.000 1.189 151 P CB 0.371 32.093 31.700 0.036 0.000 1.687 152 L N 2.512 123.663 121.223 -0.121 0.000 2.643 152 L HA 0.445 4.792 4.340 0.012 0.000 0.257 152 L C -1.513 175.276 176.870 -0.134 0.000 0.922 152 L CA -0.478 54.280 54.840 -0.136 0.000 0.909 152 L CB 2.234 44.218 42.059 -0.124 0.000 1.424 152 L HN -0.034 nan 8.230 nan 0.000 0.422 153 K N 5.420 125.744 120.400 -0.127 0.000 2.274 153 K HA 0.649 4.976 4.320 0.012 0.000 0.262 153 K C -1.213 175.315 176.600 -0.121 0.000 0.961 153 K CA -0.545 55.674 56.287 -0.114 0.000 0.833 153 K CB 1.973 34.427 32.500 -0.076 0.000 1.102 153 K HN 0.534 nan 8.250 nan 0.000 0.436 154 I N 4.956 125.434 120.570 -0.155 0.000 2.330 154 I HA 0.340 4.517 4.170 0.012 0.000 0.289 154 I C -0.425 175.640 176.117 -0.086 0.000 1.001 154 I CA -0.539 60.675 61.300 -0.144 0.000 1.193 154 I CB 0.890 38.706 38.000 -0.306 0.000 1.345 154 I HN 0.374 nan 8.210 nan 0.000 0.461 155 I N 6.389 126.937 120.570 -0.037 0.000 2.509 155 I HA 0.416 4.593 4.170 0.012 0.000 0.293 155 I C -0.438 175.684 176.117 0.008 0.000 1.020 155 I CA -0.483 60.808 61.300 -0.014 0.000 1.088 155 I CB 1.799 39.794 38.000 -0.010 0.000 1.267 155 I HN 0.522 nan 8.210 nan 0.000 0.430 156 E N 4.870 125.078 120.200 0.014 0.000 2.272 156 E HA 0.381 4.738 4.350 0.012 0.000 0.269 156 E C -1.307 175.305 176.600 0.019 0.000 0.877 156 E CA -0.815 55.600 56.400 0.024 0.000 0.755 156 E CB 2.453 32.175 29.700 0.037 0.000 1.192 156 E HN 0.494 nan 8.360 nan 0.000 0.422 157 E N 1.312 121.523 120.200 0.018 0.000 2.283 157 E HA 0.275 4.632 4.350 0.012 0.000 0.278 157 E C -0.551 176.060 176.600 0.017 0.000 1.027 157 E CA -0.075 56.334 56.400 0.015 0.000 0.843 157 E CB 1.830 31.537 29.700 0.011 0.000 1.062 157 E HN 0.197 nan 8.360 nan 0.000 0.401 158 T N 1.954 116.518 114.554 0.016 0.000 2.887 158 T HA 0.309 4.666 4.350 0.012 0.000 0.292 158 T C -1.972 172.737 174.700 0.014 0.000 1.087 158 T CA -2.234 59.877 62.100 0.017 0.000 1.009 158 T CB 1.106 69.986 68.868 0.019 0.000 1.203 158 T HN 0.122 nan 8.240 nan 0.000 0.518 159 P HA -0.030 nan 4.420 nan 0.000 0.215 159 P C 0.762 178.068 177.300 0.010 0.000 1.153 159 P CA 1.218 64.325 63.100 0.011 0.000 0.853 159 P CB 0.154 31.861 31.700 0.011 0.000 0.788 160 E N -1.241 118.966 120.200 0.011 0.000 2.274 160 E HA 0.165 4.522 4.350 0.012 0.000 0.194 160 E C 1.423 178.028 176.600 0.009 0.000 0.996 160 E CA 1.051 57.457 56.400 0.010 0.000 0.840 160 E CB -0.326 29.381 29.700 0.011 0.000 0.772 160 E HN 0.318 nan 8.360 nan 0.000 0.491 161 G N 0.107 108.913 108.800 0.010 0.000 2.458 161 G HA2 -0.063 3.904 3.960 0.012 0.000 0.066 161 G HA3 -0.063 3.904 3.960 0.012 0.000 0.066 161 G C -1.419 173.486 174.900 0.009 0.000 0.986 161 G CA -0.412 44.693 45.100 0.009 0.000 1.131 161 G HN 0.096 nan 8.290 nan 0.000 0.453 162 E N -0.192 120.013 120.200 0.009 0.000 2.234 162 E HA 0.654 5.011 4.350 0.012 0.000 0.266 162 E C -1.452 175.153 176.600 0.009 0.000 0.877 162 E CA -0.759 55.645 56.400 0.008 0.000 0.758 162 E CB 2.080 31.783 29.700 0.005 0.000 1.170 162 E HN 0.572 nan 8.360 nan 0.000 0.415 163 L N 5.359 126.588 121.223 0.011 0.000 2.280 163 L HA 0.530 4.877 4.340 0.012 0.000 0.287 163 L C -1.599 175.273 176.870 0.003 0.000 1.023 163 L CA -0.699 54.148 54.840 0.012 0.000 0.819 163 L CB 1.231 43.303 42.059 0.021 0.000 1.212 163 L HN 0.388 nan 8.230 nan 0.000 0.420 164 V N 5.639 125.551 119.914 -0.003 0.000 2.448 164 V HA 0.425 4.552 4.120 0.012 0.000 0.295 164 V C -0.359 175.719 176.094 -0.028 0.000 1.025 164 V CA -0.646 61.642 62.300 -0.019 0.000 0.859 164 V CB 1.889 33.701 31.823 -0.019 0.000 0.988 164 V HN 0.467 nan 8.190 nan 0.000 0.431 165 V N 3.579 123.455 119.914 -0.062 0.000 2.334 165 V HA 0.362 4.489 4.120 0.012 0.000 0.281 165 V C -0.363 175.660 176.094 -0.118 0.000 1.016 165 V CA -0.460 61.790 62.300 -0.083 0.000 0.832 165 V CB 1.640 33.386 31.823 -0.128 0.000 0.999 165 V HN 0.894 nan 8.190 nan 0.000 0.439 166 D N 3.689 124.040 120.400 -0.081 0.000 2.380 166 D HA 0.167 4.815 4.640 0.012 0.000 0.230 166 D C 0.740 176.969 176.300 -0.117 0.000 1.154 166 D CA -0.311 53.636 54.000 -0.088 0.000 0.859 166 D CB 1.426 42.196 40.800 -0.050 0.000 1.045 166 D HN 0.571 nan 8.370 nan 0.000 0.495 167 C N 2.654 121.853 119.300 -0.169 0.000 2.546 167 C HA 0.004 4.471 4.460 0.012 0.000 0.275 167 C C 2.101 176.855 174.990 -0.393 0.000 1.393 167 C CA 0.758 59.639 59.018 -0.229 0.000 1.703 167 C CB -1.791 25.818 27.740 -0.218 0.000 1.710 167 C HN 0.747 nan 8.230 nan 0.000 0.581 168 T N -3.955 110.410 114.554 -0.316 0.000 3.069 168 T HA 0.132 4.489 4.350 0.012 0.000 0.252 168 T C 0.877 175.541 174.700 -0.059 0.000 1.053 168 T CA 0.443 62.332 62.100 -0.351 0.000 0.964 168 T CB -0.093 68.767 68.868 -0.013 0.000 1.005 168 T HN 0.253 nan 8.240 nan 0.000 0.532 169 K N 1.032 121.396 120.400 -0.059 0.000 2.758 169 K HA 0.439 4.766 4.320 0.012 0.000 0.208 169 K C 0.501 177.110 176.600 0.015 0.000 1.091 169 K CA -0.087 56.209 56.287 0.016 0.000 1.059 169 K CB 0.502 33.011 32.500 0.014 0.000 0.801 169 K HN 0.378 nan 8.250 nan 0.000 0.470 170 L N -0.756 120.465 121.223 -0.002 0.000 2.640 170 L HA 0.147 4.494 4.340 0.012 0.000 0.230 170 L C 1.193 178.098 176.870 0.058 0.000 1.123 170 L CA 0.245 55.098 54.840 0.022 0.000 0.900 170 L CB -0.070 41.993 42.059 0.007 0.000 1.146 170 L HN 0.415 nan 8.230 nan 0.000 0.484 171 G N 0.838 109.691 108.800 0.088 0.000 2.583 171 G HA2 -0.394 3.573 3.960 0.012 0.000 0.292 171 G HA3 -0.394 3.573 3.960 0.012 0.000 0.292 171 G C 0.779 175.750 174.900 0.119 0.000 1.203 171 G CA 0.542 45.708 45.100 0.109 0.000 0.987 171 G HN 0.115 nan 8.290 nan 0.000 0.554 172 T N 1.963 116.576 114.554 0.097 0.000 2.867 172 T HA 0.258 4.615 4.350 0.012 0.000 0.268 172 T C 1.800 176.567 174.700 0.111 0.000 1.057 172 T CA 2.118 64.277 62.100 0.099 0.000 1.136 172 T CB -0.658 68.256 68.868 0.076 0.000 0.874 172 T HN 1.201 nan 8.240 nan 0.000 0.466 173 G N 0.429 109.286 108.800 0.096 0.000 2.504 173 G HA2 0.637 4.604 3.960 0.012 0.000 0.257 173 G HA3 0.637 4.604 3.960 0.012 0.000 0.257 173 G C -0.478 174.500 174.900 0.131 0.000 1.451 173 G CA 0.004 45.164 45.100 0.100 0.000 1.059 173 G HN 0.592 nan 8.290 nan 0.000 0.550 174 A N -2.649 120.237 122.820 0.110 0.000 2.536 174 A HA 0.561 4.888 4.320 0.012 0.000 0.293 174 A C -1.891 175.748 177.584 0.092 0.000 1.119 174 A CA -0.639 51.478 52.037 0.134 0.000 0.654 174 A CB 0.524 19.671 19.000 0.245 0.000 1.291 174 A HN 1.040 nan 8.150 nan 0.000 0.439 175 Y N 1.218 121.490 120.300 -0.046 0.000 2.336 175 Y HA 0.489 5.046 4.550 0.011 0.000 0.335 175 Y C 0.310 176.120 175.900 -0.150 0.000 1.046 175 Y CA 0.014 58.059 58.100 -0.091 0.000 1.198 175 Y CB 0.740 39.141 38.460 -0.098 0.000 1.182 175 Y HN 0.706 nan 8.280 nan 0.000 0.502 176 N N 6.266 124.608 118.700 -0.596 0.000 2.406 176 N HA 0.261 5.008 4.740 0.012 0.000 0.251 176 N C -0.845 174.183 175.510 -0.803 0.000 1.069 176 N CA -0.336 52.385 53.050 -0.549 0.000 0.947 176 N CB 0.323 38.578 38.487 -0.387 0.000 1.111 176 N HN 0.631 nan 8.380 nan 0.000 0.497 177 I N 5.618 125.844 120.570 -0.574 0.000 2.741 177 I HA 0.029 4.206 4.170 0.012 0.000 0.288 177 I C -1.579 174.328 176.117 -0.350 0.000 1.192 177 I CA -1.222 59.785 61.300 -0.489 0.000 1.426 177 I CB 0.250 37.946 38.000 -0.506 0.000 1.367 177 I HN 0.417 nan 8.210 nan 0.000 0.563 178 P HA 0.123 nan 4.420 nan 0.000 0.274 178 P C -0.257 176.952 177.300 -0.152 0.000 1.256 178 P CA -0.277 62.703 63.100 -0.199 0.000 0.795 178 P CB 0.672 32.286 31.700 -0.144 0.000 1.038 179 N N -0.483 118.122 118.700 -0.158 0.000 2.149 179 N HA -0.141 4.607 4.740 0.012 0.000 0.188 179 N C 0.353 175.792 175.510 -0.119 0.000 1.019 179 N CA 1.552 54.523 53.050 -0.133 0.000 0.857 179 N CB -0.492 37.908 38.487 -0.145 0.000 0.997 179 N HN 0.526 nan 8.380 nan 0.000 0.426 180 D N -0.835 119.472 120.400 -0.155 0.000 2.408 180 D HA 0.199 4.847 4.640 0.012 0.000 0.243 180 D C 0.379 176.657 176.300 -0.037 0.000 1.075 180 D CA -0.585 53.350 54.000 -0.108 0.000 0.832 180 D CB 1.563 42.253 40.800 -0.184 0.000 1.162 180 D HN -0.060 nan 8.370 nan 0.000 0.515 181 V N 1.200 121.136 119.914 0.037 0.000 3.542 181 V HA 0.141 4.268 4.120 0.012 0.000 0.296 181 V C 1.566 177.727 176.094 0.111 0.000 1.364 181 V CA 0.245 62.616 62.300 0.119 0.000 1.118 181 V CB -0.287 31.681 31.823 0.243 0.000 0.972 181 V HN 0.473 nan 8.190 nan 0.000 0.430 182 T N 1.268 115.872 114.554 0.084 0.000 2.665 182 T HA -0.202 4.155 4.350 0.012 0.000 0.268 182 T C 1.627 176.382 174.700 0.091 0.000 1.035 182 T CA 2.394 64.566 62.100 0.120 0.000 1.151 182 T CB -0.261 68.704 68.868 0.162 0.000 0.862 182 T HN 0.469 nan 8.240 nan 0.000 0.438 183 K N 0.533 120.973 120.400 0.067 0.000 2.487 183 K HA 0.242 4.569 4.320 0.012 0.000 0.192 183 K C 0.125 176.761 176.600 0.060 0.000 1.027 183 K CA 0.034 56.353 56.287 0.054 0.000 1.054 183 K CB -0.182 32.344 32.500 0.044 0.000 0.824 183 K HN 0.356 nan 8.250 nan 0.000 0.510 184 L N 1.851 123.123 121.223 0.082 0.000 2.349 184 L HA 0.149 4.496 4.340 0.012 0.000 0.275 184 L C 0.010 176.915 176.870 0.059 0.000 1.115 184 L CA -0.411 54.481 54.840 0.088 0.000 0.820 184 L CB 0.580 42.732 42.059 0.155 0.000 1.135 184 L HN 0.162 nan 8.230 nan 0.000 0.445 185 N N 4.480 123.203 118.700 0.038 0.000 2.430 185 N HA 0.548 5.295 4.740 0.012 0.000 0.292 185 N C -0.917 174.604 175.510 0.018 0.000 1.051 185 N CA -0.436 52.632 53.050 0.029 0.000 0.917 185 N CB 2.323 40.822 38.487 0.021 0.000 1.164 185 N HN 0.381 nan 8.380 nan 0.000 0.484 186 L N 1.418 122.664 121.223 0.039 0.000 2.333 186 L HA 0.482 4.829 4.340 0.012 0.000 0.280 186 L C 0.073 176.951 176.870 0.013 0.000 1.004 186 L CA -0.545 54.290 54.840 -0.007 0.000 0.820 186 L CB 1.768 43.799 42.059 -0.047 0.000 1.247 186 L HN 0.293 nan 8.230 nan 0.000 0.416 187 E N 1.722 121.864 120.200 -0.097 0.000 2.224 187 E HA 0.626 4.983 4.350 0.012 0.000 0.265 187 E C -1.037 175.436 176.600 -0.210 0.000 0.878 187 E CA -0.468 55.879 56.400 -0.088 0.000 0.759 187 E CB 2.871 32.559 29.700 -0.021 0.000 1.164 187 E HN 0.504 nan 8.360 nan 0.000 0.414 188 T N 0.957 115.350 114.554 -0.269 0.000 2.957 188 T HA 0.119 4.477 4.350 0.012 0.000 0.336 188 T C -1.432 173.203 174.700 -0.110 0.000 1.462 188 T CA -0.606 61.361 62.100 -0.223 0.000 1.073 188 T CB 1.477 70.149 68.868 -0.326 0.000 1.319 188 T HN 0.399 nan 8.240 nan 0.000 0.485 189 D N 2.236 122.604 120.400 -0.053 0.000 2.538 189 D HA 0.438 5.085 4.640 0.012 0.000 0.231 189 D C 0.800 177.099 176.300 -0.001 0.000 1.229 189 D CA -0.080 53.916 54.000 -0.006 0.000 0.828 189 D CB 0.243 41.047 40.800 0.007 0.000 1.035 189 D HN 0.818 nan 8.370 nan 0.000 0.495 190 A N 0.152 122.955 122.820 -0.028 0.000 2.429 190 A HA 0.152 4.479 4.320 0.012 0.000 0.242 190 A C 1.027 178.623 177.584 0.020 0.000 1.088 190 A CA 0.069 52.089 52.037 -0.027 0.000 0.784 190 A CB 0.449 19.408 19.000 -0.069 0.000 1.038 190 A HN 0.146 nan 8.150 nan 0.000 0.501 191 D N -1.192 119.227 120.400 0.031 0.000 2.338 191 D HA 0.247 4.894 4.640 0.012 0.000 0.208 191 D C -0.020 176.478 176.300 0.330 0.000 0.997 191 D CA 1.429 55.541 54.000 0.186 0.000 0.880 191 D CB 0.142 41.117 40.800 0.292 0.000 0.980 191 D HN 0.536 nan 8.370 nan 0.000 0.509 192 F N -1.386 118.629 119.950 0.108 0.000 2.817 192 F HA 0.497 5.026 4.527 0.003 0.000 0.317 192 F C -1.709 174.160 175.800 0.116 0.000 1.168 192 F CA -1.423 56.646 58.000 0.115 0.000 0.911 192 F CB 0.829 39.898 39.000 0.117 0.000 1.337 192 F HN -0.408 nan 8.300 nan 0.000 0.464 193 I N 2.364 123.093 120.570 0.265 0.000 2.377 193 I HA 0.452 4.629 4.170 0.012 0.000 0.293 193 I C -1.279 175.010 176.117 0.286 0.000 0.987 193 I CA -0.904 60.496 61.300 0.167 0.000 1.185 193 I CB 1.813 39.908 38.000 0.159 0.000 1.341 193 I HN 0.564 nan 8.210 nan 0.000 0.455 194 L N 7.194 128.554 121.223 0.229 0.000 2.295 194 L HA 0.660 5.007 4.340 0.012 0.000 0.281 194 L C -0.058 176.945 176.870 0.222 0.000 1.018 194 L CA -0.257 54.744 54.840 0.269 0.000 0.841 194 L CB 0.905 43.140 42.059 0.294 0.000 1.218 194 L HN 0.659 nan 8.230 nan 0.000 0.424 195 A N 6.657 129.594 122.820 0.196 0.000 2.269 195 A HA 0.666 4.993 4.320 0.012 0.000 0.302 195 A C -0.418 177.279 177.584 0.189 0.000 1.266 195 A CA -0.262 51.882 52.037 0.178 0.000 0.894 195 A CB -0.247 18.836 19.000 0.138 0.000 1.147 195 A HN 0.683 nan 8.150 nan 0.000 0.537 196 I N 2.436 123.118 120.570 0.186 0.000 2.362 196 I HA 0.194 4.371 4.170 0.012 0.000 0.289 196 I C 1.318 177.467 176.117 0.053 0.000 0.994 196 I CA -0.279 61.109 61.300 0.147 0.000 1.158 196 I CB 1.781 39.914 38.000 0.220 0.000 1.315 196 I HN 1.001 nan 8.210 nan 0.000 0.451 197 E N 3.801 123.982 120.200 -0.031 0.000 2.013 197 E HA -0.179 4.178 4.350 0.012 0.000 0.202 197 E C 0.700 177.278 176.600 -0.036 0.000 1.018 197 E CA 1.612 57.991 56.400 -0.035 0.000 0.834 197 E CB 0.165 29.826 29.700 -0.065 0.000 0.770 197 E HN 0.718 nan 8.360 nan 0.000 0.459 198 T N -1.240 113.274 114.554 -0.066 0.000 2.913 198 T HA 0.169 4.526 4.350 0.012 0.000 0.287 198 T C 1.136 175.843 174.700 0.011 0.000 1.008 198 T CA -0.095 61.981 62.100 -0.041 0.000 1.067 198 T CB 1.661 70.492 68.868 -0.062 0.000 0.996 198 T HN 0.217 nan 8.240 nan 0.000 0.513 199 S N 1.639 117.338 115.700 -0.001 0.000 2.428 199 S HA 0.048 4.525 4.470 0.012 0.000 0.230 199 S C 2.252 176.913 174.600 0.102 0.000 1.014 199 S CA 0.705 58.921 58.200 0.026 0.000 0.957 199 S CB -1.180 61.999 63.200 -0.034 0.000 0.784 199 S HN 1.008 nan 8.310 nan 0.000 0.499 200 G N 1.521 110.353 108.800 0.053 0.000 2.402 200 G HA2 -0.131 3.836 3.960 0.012 0.000 0.216 200 G HA3 -0.131 3.836 3.960 0.012 0.000 0.216 200 G C 1.391 176.332 174.900 0.069 0.000 1.162 200 G CA 1.111 46.243 45.100 0.053 0.000 0.777 200 G HN 0.515 nan 8.290 nan 0.000 0.539 201 M N -0.094 119.535 119.600 0.048 0.000 2.175 201 M HA 0.190 4.677 4.480 0.012 0.000 0.264 201 M C 2.076 178.445 176.300 0.115 0.000 1.063 201 M CA 1.050 56.376 55.300 0.042 0.000 1.119 201 M CB -0.578 31.987 32.600 -0.058 0.000 1.377 201 M HN 0.203 nan 8.290 nan 0.000 0.415 202 F N 0.590 120.549 119.950 0.014 0.000 2.126 202 F HA -0.123 4.415 4.527 0.018 0.000 0.299 202 F C 2.059 177.902 175.800 0.072 0.000 1.096 202 F CA 1.887 59.917 58.000 0.050 0.000 1.255 202 F CB -0.646 38.374 39.000 0.033 0.000 0.997 202 F HN 0.217 nan 8.300 nan 0.000 0.479 203 A N 0.498 123.475 122.820 0.261 0.000 1.908 203 A HA -0.253 4.074 4.320 0.012 0.000 0.218 203 A C 2.159 179.779 177.584 0.059 0.000 1.181 203 A CA 2.009 54.141 52.037 0.158 0.000 0.627 203 A CB -0.820 18.269 19.000 0.148 0.000 0.818 203 A HN 0.451 nan 8.150 nan 0.000 0.445 204 R N 0.172 120.704 120.500 0.055 0.000 2.075 204 R HA 0.024 4.371 4.340 0.012 0.000 0.232 204 R C 1.860 178.177 176.300 0.029 0.000 1.126 204 R CA 1.718 57.845 56.100 0.044 0.000 0.963 204 R CB -0.851 29.479 30.300 0.050 0.000 0.858 204 R HN 0.498 nan 8.270 nan 0.000 0.435 205 L N 0.399 121.619 121.223 -0.004 0.000 2.093 205 L HA -0.091 4.256 4.340 0.012 0.000 0.208 205 L C 2.467 179.362 176.870 0.042 0.000 1.085 205 L CA 1.771 56.610 54.840 -0.000 0.000 0.755 205 L CB -0.728 41.288 42.059 -0.071 0.000 0.904 205 L HN 0.465 nan 8.230 nan 0.000 0.435 206 N N 0.325 118.979 118.700 -0.077 0.000 2.106 206 N HA -0.173 4.574 4.740 0.012 0.000 0.188 206 N C 1.985 177.585 175.510 0.150 0.000 1.029 206 N CA 1.114 54.194 53.050 0.049 0.000 0.848 206 N CB 0.075 38.418 38.487 -0.241 0.000 1.007 206 N HN 0.275 nan 8.380 nan 0.000 0.423 207 A N 1.201 124.066 122.820 0.076 0.000 1.908 207 A HA -0.123 4.204 4.320 0.012 0.000 0.218 207 A C 1.678 179.287 177.584 0.042 0.000 1.181 207 A CA 1.323 53.404 52.037 0.072 0.000 0.627 207 A CB -0.297 18.738 19.000 0.059 0.000 0.818 207 A HN 0.378 nan 8.150 nan 0.000 0.445 208 E N -0.628 119.592 120.200 0.034 0.000 2.476 208 E HA 0.071 4.428 4.350 0.012 0.000 0.191 208 E C -0.155 176.399 176.600 -0.077 0.000 1.064 208 E CA -0.073 56.334 56.400 0.011 0.000 0.866 208 E CB -0.211 29.527 29.700 0.064 0.000 0.952 208 E HN 0.562 nan 8.360 nan 0.000 0.492 209 R N -0.346 120.042 120.500 -0.187 0.000 3.333 209 R HA -0.224 4.123 4.340 0.012 0.000 0.256 209 R C 0.769 176.716 176.300 -0.590 0.000 1.010 209 R CA 0.287 55.977 56.100 -0.683 0.000 0.680 209 R CB -2.558 27.326 30.300 -0.692 0.000 1.102 209 R HN 0.187 nan 8.270 nan 0.000 0.440 210 F N 0.997 120.746 119.950 -0.336 0.000 2.216 210 F HA -0.198 4.316 4.527 -0.021 0.000 0.300 210 F C 2.234 178.019 175.800 -0.025 0.000 1.085 210 F CA 1.918 59.868 58.000 -0.083 0.000 1.326 210 F CB -0.015 38.980 39.000 -0.008 0.000 1.027 210 F HN 0.434 nan 8.300 nan 0.000 0.497 211 W N -0.096 121.292 121.300 0.146 0.000 2.392 211 W HA -0.151 4.523 4.660 0.024 0.000 0.279 211 W C 1.556 178.047 176.519 -0.047 0.000 1.225 211 W CA 0.984 58.347 57.345 0.030 0.000 1.233 211 W CB -1.281 28.185 29.460 0.011 0.000 1.122 211 W HN 0.138 nan 8.180 nan 0.000 0.561 212 D N 1.524 121.633 120.400 -0.486 0.000 2.106 212 D HA -0.116 4.531 4.640 0.012 0.000 0.203 212 D C 1.983 178.119 176.300 -0.273 0.000 0.977 212 D CA 2.030 55.800 54.000 -0.384 0.000 0.844 212 D CB -0.093 40.258 40.800 -0.749 0.000 1.002 212 D HN -0.013 nan 8.370 nan 0.000 0.461 213 K N -0.645 119.533 120.400 -0.370 0.000 2.044 213 K HA -0.139 4.188 4.320 0.012 0.000 0.210 213 K C 1.833 178.112 176.600 -0.535 0.000 1.049 213 K CA 1.346 57.369 56.287 -0.440 0.000 0.927 213 K CB -0.259 31.932 32.500 -0.516 0.000 0.713 213 K HN 0.415 nan 8.250 nan 0.000 0.443 214 H N -0.281 118.570 119.070 -0.366 0.000 2.517 214 H HA 0.100 4.646 4.556 -0.016 0.000 0.282 214 H C -0.066 175.180 175.328 -0.137 0.000 1.023 214 H CA -0.198 55.706 56.048 -0.241 0.000 1.169 214 H CB 0.054 29.584 29.762 -0.388 0.000 1.454 214 H HN 0.196 nan 8.280 nan 0.000 0.556 215 N N 1.701 120.372 118.700 -0.048 0.000 2.686 215 N HA -0.183 4.564 4.740 0.012 0.000 0.261 215 N C -0.769 174.651 175.510 -0.151 0.000 1.001 215 N CA 0.678 53.711 53.050 -0.029 0.000 0.764 215 N CB -1.415 37.067 38.487 -0.008 0.000 0.898 215 N HN 0.546 nan 8.380 nan 0.000 0.544 216 C N -0.690 118.498 119.300 -0.186 0.000 2.898 216 C HA 0.757 5.224 4.460 0.012 0.000 0.304 216 C C 0.572 175.495 174.990 -0.112 0.000 1.237 216 C CA -1.659 57.089 59.018 -0.451 0.000 1.529 216 C CB 0.877 27.909 27.740 -1.181 0.000 2.021 216 C HN 0.352 nan 8.230 nan 0.000 0.474 217 I N 2.577 123.082 120.570 -0.109 0.000 2.371 217 I HA 0.310 4.487 4.170 0.012 0.000 0.290 217 I C -0.136 176.034 176.117 0.088 0.000 1.028 217 I CA -0.054 61.249 61.300 0.006 0.000 1.345 217 I CB 0.811 38.819 38.000 0.014 0.000 1.407 217 I HN 0.522 nan 8.210 nan 0.000 0.501 218 L N 7.279 128.582 121.223 0.133 0.000 2.275 218 L HA 0.538 4.885 4.340 0.012 0.000 0.288 218 L C -0.569 176.518 176.870 0.361 0.000 1.046 218 L CA -0.751 54.225 54.840 0.227 0.000 0.805 218 L CB 1.203 43.346 42.059 0.141 0.000 1.193 218 L HN 0.287 nan 8.230 nan 0.000 0.426 219 V N 1.776 121.892 119.914 0.337 0.000 2.483 219 V HA 0.294 4.421 4.120 0.012 0.000 0.297 219 V C 0.245 176.456 176.094 0.195 0.000 1.027 219 V CA -0.607 61.849 62.300 0.261 0.000 0.855 219 V CB 1.910 33.865 31.823 0.221 0.000 0.995 219 V HN 0.926 nan 8.190 nan 0.000 0.424 220 S N 5.049 120.742 115.700 -0.012 0.000 2.603 220 S HA 0.588 5.065 4.470 0.012 0.000 0.268 220 S C 0.559 175.122 174.600 -0.062 0.000 1.317 220 S CA -0.508 57.644 58.200 -0.080 0.000 1.012 220 S CB 1.254 64.201 63.200 -0.422 0.000 0.926 220 S HN 0.529 nan 8.310 nan 0.000 0.539 221 L N 0.179 121.382 121.223 -0.033 0.000 2.547 221 L HA 0.369 4.717 4.340 0.012 0.000 0.218 221 L C 0.547 177.389 176.870 -0.046 0.000 1.048 221 L CA -0.206 54.619 54.840 -0.026 0.000 0.859 221 L CB -0.465 41.597 42.059 0.006 0.000 1.128 221 L HN 0.803 nan 8.230 nan 0.000 0.483 222 K N 0.880 121.252 120.400 -0.047 0.000 3.117 222 K HA -0.129 4.198 4.320 0.012 0.000 0.269 222 K C 0.242 176.834 176.600 -0.013 0.000 1.098 222 K CA 0.364 56.622 56.287 -0.048 0.000 0.785 222 K CB -1.792 30.660 32.500 -0.080 0.000 1.242 222 K HN 0.652 nan 8.250 nan 0.000 0.491 223 G N -1.678 107.135 108.800 0.022 0.000 2.384 223 G HA2 -0.126 3.841 3.960 0.012 0.000 0.204 223 G HA3 -0.126 3.841 3.960 0.012 0.000 0.204 223 G C -0.648 174.283 174.900 0.051 0.000 1.237 223 G CA -0.685 44.468 45.100 0.088 0.000 1.060 223 G HN 0.360 nan 8.290 nan 0.000 0.514 224 V N 3.777 123.721 119.914 0.049 0.000 2.485 224 V HA 0.348 4.476 4.120 0.012 0.000 0.287 224 V C -1.077 174.996 176.094 -0.034 0.000 1.022 224 V CA -0.118 62.157 62.300 -0.041 0.000 1.067 224 V CB 0.768 32.550 31.823 -0.070 0.000 0.967 224 V HN 0.665 nan 8.190 nan 0.000 0.479 225 P HA 0.157 nan 4.420 nan 0.000 0.265 225 P C -0.115 177.159 177.300 -0.043 0.000 1.193 225 P CA -0.017 63.059 63.100 -0.040 0.000 0.765 225 P CB 0.658 32.337 31.700 -0.034 0.000 0.823 226 A N 3.855 126.649 122.820 -0.043 0.000 2.429 226 A HA 0.050 4.377 4.320 0.012 0.000 0.242 226 A C 1.822 179.384 177.584 -0.035 0.000 1.088 226 A CA -0.098 51.913 52.037 -0.042 0.000 0.784 226 A CB -0.116 18.853 19.000 -0.051 0.000 1.038 226 A HN 0.583 nan 8.150 nan 0.000 0.501 227 R N 0.229 120.708 120.500 -0.034 0.000 2.091 227 R HA -0.200 4.147 4.340 0.012 0.000 0.238 227 R C 2.323 178.616 176.300 -0.013 0.000 1.136 227 R CA 1.724 57.808 56.100 -0.027 0.000 0.959 227 R CB -0.454 29.829 30.300 -0.028 0.000 0.856 227 R HN 0.838 nan 8.270 nan 0.000 0.437 228 A N -0.182 122.627 122.820 -0.019 0.000 1.902 228 A HA -0.146 4.181 4.320 0.012 0.000 0.217 228 A C 2.134 179.739 177.584 0.035 0.000 1.181 228 A CA 1.998 54.033 52.037 -0.003 0.000 0.623 228 A CB -0.715 18.259 19.000 -0.044 0.000 0.818 228 A HN 0.357 nan 8.150 nan 0.000 0.443 229 T N -0.197 114.359 114.554 0.004 0.000 2.708 229 T HA -0.146 4.211 4.350 0.012 0.000 0.266 229 T C 2.052 176.807 174.700 0.090 0.000 1.037 229 T CA 1.587 63.708 62.100 0.036 0.000 1.146 229 T CB -0.246 68.614 68.868 -0.013 0.000 0.865 229 T HN 0.537 nan 8.240 nan 0.000 0.435 230 R N 0.768 121.292 120.500 0.040 0.000 2.073 230 R HA 0.020 4.367 4.340 0.012 0.000 0.234 230 R C 2.811 179.144 176.300 0.054 0.000 1.134 230 R CA 1.148 57.264 56.100 0.027 0.000 0.952 230 R CB -0.195 30.096 30.300 -0.015 0.000 0.850 230 R HN 0.333 nan 8.270 nan 0.000 0.433 231 R N -0.302 120.236 120.500 0.062 0.000 2.081 231 R HA -0.136 4.211 4.340 0.012 0.000 0.235 231 R C 2.181 178.555 176.300 0.124 0.000 1.131 231 R CA 1.331 57.473 56.100 0.069 0.000 0.960 231 R CB -0.487 29.844 30.300 0.053 0.000 0.856 231 R HN 0.197 nan 8.270 nan 0.000 0.436 232 F N 1.656 121.617 119.950 0.019 0.000 2.102 232 F HA -0.148 4.385 4.527 0.010 0.000 0.298 232 F C 2.152 177.983 175.800 0.053 0.000 1.105 232 F CA 1.368 59.391 58.000 0.039 0.000 1.239 232 F CB -0.175 38.849 39.000 0.040 0.000 0.991 232 F HN -0.137 nan 8.300 nan 0.000 0.474 233 I N 0.014 120.694 120.570 0.183 0.000 2.252 233 I HA -0.300 3.878 4.170 0.012 0.000 0.245 233 I C 2.494 178.649 176.117 0.062 0.000 1.102 233 I CA 1.492 62.852 61.300 0.100 0.000 1.385 233 I CB -0.548 37.523 38.000 0.118 0.000 1.064 233 I HN 0.091 nan 8.210 nan 0.000 0.414 234 K N 1.109 121.548 120.400 0.064 0.000 2.057 234 K HA -0.171 4.156 4.320 0.012 0.000 0.207 234 K C 2.354 179.003 176.600 0.081 0.000 1.049 234 K CA 1.311 57.652 56.287 0.090 0.000 0.931 234 K CB 0.006 32.541 32.500 0.059 0.000 0.714 234 K HN 0.178 nan 8.250 nan 0.000 0.440 235 R N 0.441 120.949 120.500 0.015 0.000 2.083 235 R HA -0.122 4.225 4.340 0.012 0.000 0.237 235 R C 2.458 178.749 176.300 -0.014 0.000 1.137 235 R CA 1.600 57.690 56.100 -0.016 0.000 0.951 235 R CB -0.469 29.799 30.300 -0.053 0.000 0.851 235 R HN 0.227 nan 8.270 nan 0.000 0.434 236 L N -0.718 120.458 121.223 -0.079 0.000 2.012 236 L HA -0.253 4.094 4.340 0.012 0.000 0.210 236 L C 2.627 179.560 176.870 0.104 0.000 1.073 236 L CA 1.736 56.566 54.840 -0.017 0.000 0.748 236 L CB -0.682 41.289 42.059 -0.147 0.000 0.891 236 L HN 0.294 nan 8.230 nan 0.000 0.431 237 H N 0.170 119.252 119.070 0.020 0.000 2.290 237 H HA -0.184 4.379 4.556 0.011 0.000 0.298 237 H C 2.201 177.554 175.328 0.042 0.000 1.087 237 H CA 2.034 58.110 56.048 0.047 0.000 1.291 237 H CB 0.108 29.895 29.762 0.042 0.000 1.369 237 H HN 0.210 nan 8.280 nan 0.000 0.492 238 E N 0.281 120.411 120.200 -0.117 0.000 2.072 238 E HA -0.116 4.241 4.350 0.012 0.000 0.190 238 E C 2.236 178.745 176.600 -0.152 0.000 0.982 238 E CA 1.169 57.459 56.400 -0.184 0.000 0.803 238 E CB -0.051 29.619 29.700 -0.050 0.000 0.755 238 E HN 0.713 nan 8.360 nan 0.000 0.453 239 E N -0.226 119.905 120.200 -0.115 0.000 2.216 239 E HA -0.071 4.286 4.350 0.012 0.000 0.192 239 E C 1.205 177.544 176.600 -0.436 0.000 0.988 239 E CA 0.614 56.865 56.400 -0.247 0.000 0.834 239 E CB 0.122 29.682 29.700 -0.234 0.000 0.772 239 E HN 0.332 nan 8.360 nan 0.000 0.479 240 H N -0.041 118.985 119.070 -0.073 0.000 2.785 240 H HA 0.089 4.653 4.556 0.012 0.000 0.268 240 H C -0.583 174.720 175.328 -0.041 0.000 1.153 240 H CA -0.083 55.935 56.048 -0.049 0.000 1.111 240 H CB 0.630 30.368 29.762 -0.041 0.000 1.633 240 H HN 0.034 nan 8.280 nan 0.000 0.576 241 D N 1.318 121.702 120.400 -0.027 0.000 2.737 241 D HA -0.177 4.470 4.640 0.012 0.000 0.238 241 D C -0.285 176.049 176.300 0.057 0.000 1.157 241 D CA 0.524 54.498 54.000 -0.044 0.000 0.694 241 D CB -1.477 39.318 40.800 -0.008 0.000 1.021 241 D HN 0.423 nan 8.370 nan 0.000 0.420 242 L N 0.210 121.495 121.223 0.104 0.000 2.298 242 L HA 0.386 4.734 4.340 0.012 0.000 0.284 242 L C -2.034 175.066 176.870 0.384 0.000 1.013 242 L CA -1.906 53.068 54.840 0.223 0.000 0.824 242 L CB 1.612 43.786 42.059 0.192 0.000 1.221 242 L HN -0.286 nan 8.230 nan 0.000 0.418 243 P HA -0.032 nan 4.420 nan 0.000 0.265 243 P C -0.652 176.788 177.300 0.233 0.000 1.187 243 P CA -0.053 63.224 63.100 0.295 0.000 0.766 243 P CB 0.627 32.467 31.700 0.233 0.000 0.820 244 V N 5.254 125.218 119.914 0.083 0.000 2.294 244 V HA 0.219 4.346 4.120 0.012 0.000 0.272 244 V C 0.234 176.318 176.094 -0.017 0.000 1.027 244 V CA -0.292 62.029 62.300 0.035 0.000 0.823 244 V CB 0.302 32.076 31.823 -0.082 0.000 1.030 244 V HN 0.356 nan 8.190 nan 0.000 0.457 245 L N 5.865 127.089 121.223 0.002 0.000 2.264 245 L HA 0.580 4.927 4.340 0.012 0.000 0.289 245 L C -0.413 176.437 176.870 -0.033 0.000 1.044 245 L CA -0.604 54.134 54.840 -0.170 0.000 0.807 245 L CB 1.665 43.561 42.059 -0.272 0.000 1.192 245 L HN 0.323 nan 8.230 nan 0.000 0.425 246 V N 3.635 123.522 119.914 -0.044 0.000 2.435 246 V HA 0.376 4.504 4.120 0.012 0.000 0.290 246 V C -0.569 175.612 176.094 0.146 0.000 1.030 246 V CA -0.521 61.838 62.300 0.098 0.000 0.881 246 V CB 1.976 33.924 31.823 0.208 0.000 0.983 246 V HN 0.420 nan 8.190 nan 0.000 0.445 247 F N 5.154 125.117 119.950 0.022 0.000 2.434 247 F HA 0.702 5.242 4.527 0.021 0.000 0.355 247 F C 0.205 176.047 175.800 0.070 0.000 1.115 247 F CA -0.773 57.250 58.000 0.038 0.000 1.010 247 F CB 1.286 40.301 39.000 0.025 0.000 1.234 247 F HN 0.679 nan 8.300 nan 0.000 0.439 248 T N 1.460 116.076 114.554 0.105 0.000 2.910 248 T HA 0.486 4.844 4.350 0.012 0.000 0.287 248 T C -0.378 174.265 174.700 -0.095 0.000 1.050 248 T CA -0.969 61.114 62.100 -0.029 0.000 1.011 248 T CB 1.469 70.402 68.868 0.109 0.000 1.195 248 T HN 0.297 nan 8.240 nan 0.000 0.540 249 D N 0.352 120.691 120.400 -0.101 0.000 2.378 249 D HA 0.304 4.951 4.640 0.012 0.000 0.238 249 D C 0.776 177.053 176.300 -0.037 0.000 1.180 249 D CA 0.290 54.240 54.000 -0.083 0.000 0.895 249 D CB 0.357 41.114 40.800 -0.071 0.000 1.192 249 D HN 0.857 nan 8.370 nan 0.000 0.438 250 G N 0.946 109.745 108.800 -0.002 0.000 3.161 250 G HA2 0.395 4.362 3.960 0.012 0.000 0.293 250 G HA3 0.395 4.362 3.960 0.012 0.000 0.293 250 G C -0.718 174.083 174.900 -0.165 0.000 0.893 250 G CA -0.435 44.690 45.100 0.041 0.000 1.756 250 G HN 0.432 nan 8.290 nan 0.000 0.549 251 D N 0.015 120.091 120.400 -0.540 0.000 2.599 251 D HA 0.366 5.013 4.640 0.012 0.000 0.252 251 D C -2.455 173.499 176.300 -0.576 0.000 1.232 251 D CA -1.862 51.910 54.000 -0.379 0.000 0.819 251 D CB 1.252 41.977 40.800 -0.126 0.000 1.401 251 D HN -0.082 nan 8.370 nan 0.000 0.429 252 P HA -0.174 nan 4.420 nan 0.000 0.216 252 P C 1.034 178.347 177.300 0.022 0.000 1.153 252 P CA 1.255 64.358 63.100 0.005 0.000 0.858 252 P CB -0.077 31.681 31.700 0.097 0.000 0.789 253 Y N 0.509 120.757 120.300 -0.087 0.000 2.181 253 Y HA -0.136 4.420 4.550 0.011 0.000 0.288 253 Y C 2.505 178.373 175.900 -0.054 0.000 1.146 253 Y CA 2.082 60.149 58.100 -0.055 0.000 1.164 253 Y CB -1.079 37.347 38.460 -0.057 0.000 0.982 253 Y HN -0.120 nan 8.280 nan 0.000 0.515 254 G N -1.083 107.707 108.800 -0.016 0.000 2.446 254 G HA2 -0.297 3.670 3.960 0.012 0.000 0.217 254 G HA3 -0.297 3.670 3.960 0.012 0.000 0.217 254 G C 1.441 176.400 174.900 0.099 0.000 1.168 254 G CA 1.306 46.388 45.100 -0.030 0.000 0.771 254 G HN 0.574 nan 8.290 nan 0.000 0.551 255 Y N -0.055 120.325 120.300 0.134 0.000 2.153 255 Y HA 0.165 4.721 4.550 0.009 0.000 0.289 255 Y C 2.612 178.507 175.900 -0.009 0.000 1.119 255 Y CA 0.198 58.383 58.100 0.141 0.000 1.116 255 Y CB -0.116 38.480 38.460 0.226 0.000 1.004 255 Y HN -0.003 nan 8.280 nan 0.000 0.501 256 L N -0.101 121.192 121.223 0.116 0.000 2.592 256 L HA 0.033 4.380 4.340 0.012 0.000 0.227 256 L C 1.087 177.877 176.870 -0.134 0.000 1.127 256 L CA 0.272 55.117 54.840 0.008 0.000 0.884 256 L CB -0.185 41.911 42.059 0.061 0.000 1.065 256 L HN 0.372 nan 8.230 nan 0.000 0.457 257 N N -0.609 117.935 118.700 -0.260 0.000 2.677 257 N HA 0.182 4.929 4.740 0.012 0.000 0.242 257 N C 1.788 177.081 175.510 -0.362 0.000 1.044 257 N CA 0.313 53.111 53.050 -0.419 0.000 0.934 257 N CB 0.778 38.737 38.487 -0.879 0.000 1.595 257 N HN 0.112 nan 8.380 nan 0.000 0.459 258 I N 0.828 121.201 120.570 -0.328 0.000 2.188 258 I HA -0.219 3.958 4.170 0.012 0.000 0.237 258 I C 2.450 178.519 176.117 -0.079 0.000 1.073 258 I CA 1.095 62.295 61.300 -0.165 0.000 1.359 258 I CB -0.412 37.544 38.000 -0.073 0.000 1.083 258 I HN 0.074 nan 8.210 nan 0.000 0.412 259 Y N 2.002 122.239 120.300 -0.105 0.000 2.145 259 Y HA -0.243 4.315 4.550 0.014 0.000 0.286 259 Y C 2.797 178.544 175.900 -0.255 0.000 1.145 259 Y CA 1.623 59.663 58.100 -0.100 0.000 1.148 259 Y CB -0.441 38.038 38.460 0.032 0.000 0.981 259 Y HN -0.049 nan 8.280 nan 0.000 0.507 260 R N -0.516 119.667 120.500 -0.528 0.000 2.091 260 R HA -0.166 4.181 4.340 0.012 0.000 0.238 260 R C 1.997 177.942 176.300 -0.593 0.000 1.136 260 R CA 2.107 57.733 56.100 -0.789 0.000 0.959 260 R CB -0.522 29.463 30.300 -0.524 0.000 0.856 260 R HN 0.371 nan 8.270 nan 0.000 0.437 261 T N 1.460 115.784 114.554 -0.384 0.000 2.746 261 T HA -0.143 4.214 4.350 0.012 0.000 0.267 261 T C 1.650 176.182 174.700 -0.279 0.000 1.039 261 T CA 1.107 63.039 62.100 -0.280 0.000 1.142 261 T CB -0.167 68.580 68.868 -0.201 0.000 0.866 261 T HN 0.095 nan 8.240 nan 0.000 0.444 262 L N 1.064 122.105 121.223 -0.303 0.000 2.017 262 L HA 0.005 4.352 4.340 0.012 0.000 0.208 262 L C 2.396 179.065 176.870 -0.335 0.000 1.073 262 L CA 1.828 56.512 54.840 -0.259 0.000 0.745 262 L CB -0.427 41.514 42.059 -0.196 0.000 0.894 262 L HN 0.098 nan 8.230 nan 0.000 0.432 263 K N -1.576 118.484 120.400 -0.567 0.000 2.031 263 K HA -0.067 4.260 4.320 0.012 0.000 0.205 263 K C 1.647 178.017 176.600 -0.384 0.000 1.049 263 K CA 1.681 57.639 56.287 -0.549 0.000 0.939 263 K CB 0.161 32.109 32.500 -0.920 0.000 0.717 263 K HN 0.240 nan 8.250 nan 0.000 0.438 264 V N -0.846 118.810 119.914 -0.430 0.000 3.379 264 V HA 0.267 4.394 4.120 0.012 0.000 0.249 264 V C 0.701 176.682 176.094 -0.189 0.000 1.184 264 V CA 0.444 62.579 62.300 -0.275 0.000 1.106 264 V CB 0.546 32.182 31.823 -0.312 0.000 0.826 264 V HN 0.639 nan 8.190 nan 0.000 0.465 276 L N 2.449 123.655 121.223 -0.028 0.000 2.693 276 L HA 0.343 4.690 4.340 0.012 0.000 0.235 276 L C 0.244 177.091 176.870 -0.038 0.000 1.127 276 L CA 0.034 54.857 54.840 -0.028 0.000 0.914 276 L CB 0.913 42.951 42.059 -0.036 0.000 1.193 276 L HN 0.216 nan 8.230 nan 0.000 0.502 277 S N 0.719 116.391 115.700 -0.048 0.000 2.573 277 S HA 0.319 4.796 4.470 0.012 0.000 0.277 277 S C -0.106 174.461 174.600 -0.056 0.000 1.346 277 S CA -0.191 57.964 58.200 -0.075 0.000 1.034 277 S CB 0.855 64.009 63.200 -0.076 0.000 0.879 277 S HN 0.201 nan 8.310 nan 0.000 0.528 278 I N 3.105 123.616 120.570 -0.099 0.000 2.668 278 I HA 0.281 4.458 4.170 0.012 0.000 0.276 278 I C -1.800 174.247 176.117 -0.117 0.000 1.139 278 I CA -2.189 59.050 61.300 -0.103 0.000 1.133 278 I CB 1.734 39.633 38.000 -0.168 0.000 1.327 278 I HN 0.499 nan 8.210 nan 0.000 0.520 279 P HA -0.186 nan 4.420 nan 0.000 0.219 279 P C 1.351 178.673 177.300 0.037 0.000 1.146 279 P CA 1.083 64.187 63.100 0.006 0.000 0.808 279 P CB 0.345 32.091 31.700 0.076 0.000 0.779 280 A N -0.400 122.433 122.820 0.023 0.000 2.206 280 A HA 0.326 4.653 4.320 0.012 0.000 0.211 280 A C 1.347 178.933 177.584 0.004 0.000 1.158 280 A CA 0.346 52.416 52.037 0.054 0.000 0.761 280 A CB -1.035 18.038 19.000 0.121 0.000 0.801 280 A HN 0.258 nan 8.150 nan 0.000 0.473 281 A N 0.984 123.765 122.820 -0.066 0.000 2.540 281 A HA 0.431 4.758 4.320 0.012 0.000 0.239 281 A C 0.282 177.977 177.584 0.185 0.000 1.061 281 A CA 0.104 52.141 52.037 0.000 0.000 0.758 281 A CB 0.090 19.069 19.000 -0.036 0.000 0.991 281 A HN 0.380 nan 8.150 nan 0.000 0.502 282 R N 2.390 122.958 120.500 0.115 0.000 2.534 282 R HA 0.311 4.658 4.340 0.012 0.000 0.301 282 R C -1.041 175.151 176.300 -0.180 0.000 0.961 282 R CA -0.897 55.221 56.100 0.029 0.000 0.871 282 R CB 1.547 31.788 30.300 -0.097 0.000 1.170 282 R HN 0.657 nan 8.270 nan 0.000 0.446 283 L N 6.275 127.283 121.223 -0.357 0.000 2.342 283 L HA 0.193 4.540 4.340 0.012 0.000 0.285 283 L C 1.196 177.868 176.870 -0.330 0.000 1.095 283 L CA 0.303 54.868 54.840 -0.458 0.000 0.843 283 L CB 0.173 41.828 42.059 -0.674 0.000 1.201 283 L HN 0.796 nan 8.230 nan 0.000 0.445 284 I N 2.080 122.415 120.570 -0.391 0.000 3.226 284 I HA 0.417 4.594 4.170 0.012 0.000 0.277 284 I C 0.753 176.798 176.117 -0.119 0.000 1.243 284 I CA 0.346 61.355 61.300 -0.485 0.000 1.459 284 I CB 0.252 37.796 38.000 -0.760 0.000 1.093 284 I HN 0.579 nan 8.210 nan 0.000 0.453 285 G N 0.314 109.139 108.800 0.043 0.000 2.320 285 G HA2 0.323 4.290 3.960 0.012 0.000 0.296 285 G HA3 0.323 4.290 3.960 0.012 0.000 0.296 285 G C -1.312 173.865 174.900 0.463 0.000 1.306 285 G CA -0.535 44.728 45.100 0.272 0.000 0.836 285 G HN -0.151 nan 8.290 nan 0.000 0.517 286 V N 2.130 122.334 119.914 0.483 0.000 2.420 286 V HA 0.318 4.445 4.120 0.012 0.000 0.274 286 V C 1.414 177.746 176.094 0.396 0.000 1.003 286 V CA 0.673 63.217 62.300 0.407 0.000 1.092 286 V CB -0.407 31.571 31.823 0.258 0.000 1.002 286 V HN 1.036 nan 8.190 nan 0.000 0.473 287 T N 4.060 118.781 114.554 0.279 0.000 2.816 287 T HA 0.318 4.675 4.350 0.012 0.000 0.282 287 T C -1.546 173.275 174.700 0.202 0.000 0.993 287 T CA -1.797 60.385 62.100 0.136 0.000 0.994 287 T CB 1.431 70.280 68.868 -0.032 0.000 1.025 287 T HN 0.363 nan 8.240 nan 0.000 0.529 288 P HA -0.103 nan 4.420 nan 0.000 0.215 288 P C 1.683 179.051 177.300 0.113 0.000 1.153 288 P CA 0.989 64.181 63.100 0.153 0.000 0.853 288 P CB 0.043 31.811 31.700 0.112 0.000 0.788 289 Q N -0.119 119.722 119.800 0.068 0.000 2.224 289 Q HA -0.153 4.194 4.340 0.012 0.000 0.203 289 Q C 1.579 177.656 176.000 0.128 0.000 0.970 289 Q CA 1.555 57.398 55.803 0.065 0.000 0.865 289 Q CB -1.077 27.672 28.738 0.018 0.000 0.922 289 Q HN 0.118 nan 8.270 nan 0.000 0.445 290 D N -0.163 120.362 120.400 0.207 0.000 2.149 290 D HA -0.155 4.492 4.640 0.012 0.000 0.198 290 D C 1.703 178.223 176.300 0.367 0.000 0.990 290 D CA 1.207 55.438 54.000 0.385 0.000 0.839 290 D CB -0.149 40.923 40.800 0.453 0.000 0.948 290 D HN 0.381 nan 8.370 nan 0.000 0.460 291 I N 0.486 121.203 120.570 0.246 0.000 2.208 291 I HA -0.261 3.916 4.170 0.012 0.000 0.245 291 I C 2.315 178.528 176.117 0.160 0.000 1.097 291 I CA 0.839 62.255 61.300 0.193 0.000 1.363 291 I CB -0.175 37.913 38.000 0.147 0.000 1.051 291 I HN -0.013 nan 8.210 nan 0.000 0.413 292 I N 0.418 121.060 120.570 0.121 0.000 2.193 292 I HA -0.262 3.915 4.170 0.012 0.000 0.240 292 I C 2.118 178.261 176.117 0.044 0.000 1.084 292 I CA 1.356 62.699 61.300 0.071 0.000 1.365 292 I CB -0.485 37.542 38.000 0.045 0.000 1.064 292 I HN 0.170 nan 8.210 nan 0.000 0.410 293 D N 0.295 120.708 120.400 0.022 0.000 2.123 293 D HA -0.199 4.449 4.640 0.012 0.000 0.196 293 D C 1.728 177.866 176.300 -0.269 0.000 0.992 293 D CA 1.761 55.672 54.000 -0.148 0.000 0.833 293 D CB -0.266 40.396 40.800 -0.231 0.000 0.954 293 D HN 0.416 nan 8.370 nan 0.000 0.455 294 Y N 0.090 120.452 120.300 0.103 0.000 2.468 294 Y HA 0.086 4.632 4.550 -0.007 0.000 0.268 294 Y C 0.168 176.101 175.900 0.055 0.000 1.177 294 Y CA -0.352 57.803 58.100 0.093 0.000 1.265 294 Y CB 0.269 38.872 38.460 0.238 0.000 1.103 294 Y HN -0.202 nan 8.280 nan 0.000 0.522 295 D N 1.167 121.665 120.400 0.163 0.000 2.735 295 D HA -0.212 4.435 4.640 0.012 0.000 0.235 295 D C -0.686 175.770 176.300 0.260 0.000 1.175 295 D CA 0.456 54.557 54.000 0.168 0.000 0.683 295 D CB -0.978 39.904 40.800 0.136 0.000 1.008 295 D HN 0.289 nan 8.370 nan 0.000 0.416 296 L N 0.309 121.666 121.223 0.223 0.000 2.397 296 L HA 0.385 4.732 4.340 0.012 0.000 0.271 296 L C -1.421 175.478 176.870 0.048 0.000 1.148 296 L CA -1.803 53.140 54.840 0.172 0.000 0.825 296 L CB 0.231 42.370 42.059 0.133 0.000 1.117 296 L HN 0.033 nan 8.230 nan 0.000 0.456 297 P HA 0.047 nan 4.420 nan 0.000 0.263 297 P C -0.447 176.742 177.300 -0.184 0.000 1.195 297 P CA -0.046 62.980 63.100 -0.123 0.000 0.762 297 P CB 0.509 32.109 31.700 -0.166 0.000 0.799 298 T N 0.366 114.789 114.554 -0.219 0.000 2.938 298 T HA 0.540 4.897 4.350 0.012 0.000 0.285 298 T C -0.446 173.977 174.700 -0.462 0.000 1.028 298 T CA -0.736 61.226 62.100 -0.229 0.000 1.005 298 T CB 1.165 69.991 68.868 -0.071 0.000 1.157 298 T HN 0.317 nan 8.240 nan 0.000 0.550 299 H N 0.228 119.303 119.070 0.008 0.000 2.768 299 H HA 0.493 5.056 4.556 0.012 0.000 0.371 299 H C -2.723 172.611 175.328 0.010 0.000 1.151 299 H CA -1.874 54.175 56.048 0.002 0.000 1.165 299 H CB 2.025 31.782 29.762 -0.009 0.000 1.722 299 H HN 0.480 nan 8.280 nan 0.000 0.543 300 P HA 0.076 nan 4.420 nan 0.000 0.271 300 P C 0.250 177.593 177.300 0.072 0.000 1.218 300 P CA -0.313 62.835 63.100 0.079 0.000 0.780 300 P CB 1.079 32.816 31.700 0.061 0.000 0.901 301 L N 2.437 123.697 121.223 0.061 0.000 2.514 301 L HA 0.052 4.399 4.340 0.012 0.000 0.280 301 L C 1.368 178.261 176.870 0.038 0.000 1.223 301 L CA 0.494 55.366 54.840 0.053 0.000 0.864 301 L CB -0.222 41.872 42.059 0.058 0.000 1.118 301 L HN 0.333 nan 8.230 nan 0.000 0.494 302 K N 1.641 122.058 120.400 0.027 0.000 2.132 302 K HA 0.161 4.488 4.320 0.012 0.000 0.241 302 K C 0.844 177.456 176.600 0.020 0.000 1.000 302 K CA -0.784 55.513 56.287 0.015 0.000 0.911 302 K CB 1.020 33.519 32.500 -0.002 0.000 1.093 302 K HN 0.433 nan 8.250 nan 0.000 0.460 303 E N 0.793 121.002 120.200 0.015 0.000 2.086 303 E HA -0.340 4.018 4.350 0.012 0.000 0.205 303 E C 1.834 178.448 176.600 0.022 0.000 1.027 303 E CA 1.726 58.136 56.400 0.017 0.000 0.830 303 E CB -0.267 29.439 29.700 0.010 0.000 0.751 303 E HN 0.562 nan 8.360 nan 0.000 0.456 304 Q N 0.351 120.161 119.800 0.017 0.000 2.124 304 Q HA -0.211 4.136 4.340 0.012 0.000 0.202 304 Q C 1.392 177.416 176.000 0.039 0.000 0.977 304 Q CA 1.710 57.527 55.803 0.023 0.000 0.850 304 Q CB -0.028 28.717 28.738 0.011 0.000 0.901 304 Q HN 0.308 nan 8.270 nan 0.000 0.429 305 D N 0.444 120.867 120.400 0.039 0.000 2.104 305 D HA -0.175 4.472 4.640 0.012 0.000 0.194 305 D C 1.962 178.301 176.300 0.066 0.000 0.994 305 D CA 1.250 55.283 54.000 0.056 0.000 0.830 305 D CB -0.284 40.545 40.800 0.049 0.000 0.959 305 D HN 0.367 nan 8.370 nan 0.000 0.452 306 I N 0.624 121.228 120.570 0.056 0.000 2.208 306 I HA -0.272 3.905 4.170 0.012 0.000 0.245 306 I C 2.367 178.518 176.117 0.057 0.000 1.097 306 I CA 0.999 62.334 61.300 0.058 0.000 1.363 306 I CB -0.148 37.881 38.000 0.047 0.000 1.051 306 I HN -0.100 nan 8.210 nan 0.000 0.413 307 K N 1.255 121.684 120.400 0.048 0.000 2.097 307 K HA -0.130 4.197 4.320 0.012 0.000 0.206 307 K C 2.140 178.772 176.600 0.054 0.000 1.049 307 K CA 1.467 57.781 56.287 0.045 0.000 0.933 307 K CB -0.188 32.334 32.500 0.036 0.000 0.717 307 K HN 0.129 nan 8.250 nan 0.000 0.442 308 R N -0.202 120.336 120.500 0.064 0.000 2.081 308 R HA -0.026 4.321 4.340 0.012 0.000 0.235 308 R C 2.313 178.664 176.300 0.085 0.000 1.131 308 R CA 1.723 57.868 56.100 0.074 0.000 0.960 308 R CB -0.377 29.976 30.300 0.089 0.000 0.856 308 R HN 0.212 nan 8.270 nan 0.000 0.436 309 I N 0.823 121.452 120.570 0.097 0.000 2.142 309 I HA -0.310 3.867 4.170 0.012 0.000 0.240 309 I C 2.159 178.328 176.117 0.087 0.000 1.078 309 I CA 1.518 62.885 61.300 0.113 0.000 1.343 309 I CB -0.281 37.794 38.000 0.126 0.000 1.046 309 I HN 0.126 nan 8.210 nan 0.000 0.405 310 K N 0.658 121.100 120.400 0.070 0.000 2.032 310 K HA -0.211 4.116 4.320 0.012 0.000 0.209 310 K C 1.749 178.379 176.600 0.049 0.000 1.048 310 K CA 1.852 58.172 56.287 0.055 0.000 0.927 310 K CB -0.249 32.279 32.500 0.046 0.000 0.712 310 K HN 0.281 nan 8.250 nan 0.000 0.441 311 D N -0.019 120.410 120.400 0.048 0.000 2.123 311 D HA -0.127 4.520 4.640 0.012 0.000 0.196 311 D C 1.968 178.295 176.300 0.044 0.000 0.992 311 D CA 1.446 55.471 54.000 0.042 0.000 0.833 311 D CB -0.598 40.227 40.800 0.040 0.000 0.954 311 D HN 0.374 nan 8.370 nan 0.000 0.455 312 G N 0.644 109.476 108.800 0.055 0.000 2.421 312 G HA2 -0.193 3.774 3.960 0.012 0.000 0.216 312 G HA3 -0.193 3.774 3.960 0.012 0.000 0.216 312 G C 1.773 176.698 174.900 0.042 0.000 1.171 312 G CA 0.289 45.422 45.100 0.055 0.000 0.775 312 G HN 0.252 nan 8.290 nan 0.000 0.543 313 L N -0.382 120.870 121.223 0.048 0.000 2.141 313 L HA 0.006 4.353 4.340 0.012 0.000 0.209 313 L C 2.905 179.793 176.870 0.029 0.000 1.094 313 L CA 1.157 56.021 54.840 0.040 0.000 0.763 313 L CB -0.168 41.921 42.059 0.050 0.000 0.908 313 L HN 0.159 nan 8.230 nan 0.000 0.437 314 K N -0.558 119.861 120.400 0.030 0.000 2.044 314 K HA -0.012 4.316 4.320 0.012 0.000 0.204 314 K C 1.668 178.281 176.600 0.022 0.000 1.045 314 K CA 1.126 57.427 56.287 0.024 0.000 0.951 314 K CB 0.159 32.674 32.500 0.025 0.000 0.738 314 K HN 0.223 nan 8.250 nan 0.000 0.443 315 N N 0.242 118.957 118.700 0.025 0.000 2.348 315 N HA -0.056 4.691 4.740 0.012 0.000 0.183 315 N C -0.362 175.166 175.510 0.030 0.000 1.094 315 N CA 0.248 53.313 53.050 0.024 0.000 0.885 315 N CB 0.333 38.834 38.487 0.024 0.000 1.065 315 N HN 0.099 nan 8.380 nan 0.000 0.472 316 D N 1.817 122.238 120.400 0.036 0.000 2.371 316 D HA 0.000 4.647 4.640 0.012 0.000 0.256 316 D C 0.565 176.896 176.300 0.052 0.000 1.193 316 D CA 0.147 54.179 54.000 0.055 0.000 0.881 316 D CB 0.932 41.775 40.800 0.072 0.000 1.143 316 D HN -0.014 nan 8.370 nan 0.000 0.473 317 D N 2.950 123.393 120.400 0.071 0.000 2.224 317 D HA -0.165 4.482 4.640 0.012 0.000 0.205 317 D C 1.647 178.018 176.300 0.119 0.000 0.965 317 D CA 0.449 54.490 54.000 0.068 0.000 0.852 317 D CB 0.080 40.917 40.800 0.061 0.000 0.947 317 D HN 0.488 nan 8.370 nan 0.000 0.494 318 F N 1.520 121.492 119.950 0.037 0.000 2.102 318 F HA -0.196 4.337 4.527 0.010 0.000 0.298 318 F C 2.030 177.935 175.800 0.175 0.000 1.105 318 F CA 1.103 59.162 58.000 0.099 0.000 1.239 318 F CB -0.725 38.270 39.000 -0.009 0.000 0.991 318 F HN -0.227 nan 8.300 nan 0.000 0.474 319 V N 1.941 121.619 119.914 -0.394 0.000 2.343 319 V HA -0.257 3.870 4.120 0.012 0.000 0.247 319 V C 2.721 178.741 176.094 -0.123 0.000 1.051 319 V CA 2.171 64.227 62.300 -0.407 0.000 1.036 319 V CB -0.949 30.761 31.823 -0.188 0.000 0.654 319 V HN 0.421 nan 8.190 nan 0.000 0.451 320 R N 0.415 120.879 120.500 -0.060 0.000 2.237 320 R HA -0.125 4.222 4.340 0.012 0.000 0.219 320 R C 2.319 178.579 176.300 -0.066 0.000 1.080 320 R CA 1.640 57.719 56.100 -0.034 0.000 0.995 320 R CB -0.222 30.068 30.300 -0.017 0.000 0.875 320 R HN 0.571 nan 8.270 nan 0.000 0.462 321 S N -0.680 114.952 115.700 -0.114 0.000 2.478 321 S HA 0.057 4.534 4.470 0.012 0.000 0.222 321 S C 0.126 174.426 174.600 -0.499 0.000 1.008 321 S CA -0.178 57.832 58.200 -0.318 0.000 0.928 321 S CB 0.127 63.077 63.200 -0.416 0.000 0.781 321 S HN 0.214 nan 8.310 nan 0.000 0.518 322 F N 1.589 121.539 119.950 -0.000 0.000 2.430 322 F HA 0.489 5.024 4.527 0.014 0.000 0.362 322 F C -1.993 173.838 175.800 0.051 0.000 1.103 322 F CA -2.253 55.786 58.000 0.065 0.000 1.045 322 F CB 1.817 40.928 39.000 0.185 0.000 1.276 322 F HN -0.018 nan 8.300 nan 0.000 0.444 323 P HA -0.205 nan 4.420 nan 0.000 0.216 323 P C 0.983 178.329 177.300 0.077 0.000 1.150 323 P CA 1.601 64.752 63.100 0.086 0.000 0.843 323 P CB 0.268 31.997 31.700 0.047 0.000 0.787 324 E N -1.765 118.481 120.200 0.076 0.000 2.110 324 E HA -0.190 4.167 4.350 0.012 0.000 0.193 324 E C 1.899 178.430 176.600 -0.115 0.000 0.988 324 E CA 1.157 57.528 56.400 -0.048 0.000 0.804 324 E CB -1.000 28.632 29.700 -0.114 0.000 0.745 324 E HN 0.395 nan 8.360 nan 0.000 0.458 325 W N 1.343 122.633 121.300 -0.017 0.000 2.418 325 W HA -0.098 4.570 4.660 0.013 0.000 0.292 325 W C 2.424 178.897 176.519 -0.077 0.000 1.213 325 W CA 0.877 58.165 57.345 -0.095 0.000 1.283 325 W CB 0.023 29.352 29.460 -0.218 0.000 1.119 325 W HN 0.086 nan 8.180 nan 0.000 0.542 326 Q N 0.333 120.240 119.800 0.179 0.000 2.050 326 Q HA -0.269 4.078 4.340 0.012 0.000 0.202 326 Q C 2.125 178.171 176.000 0.076 0.000 0.980 326 Q CA 1.921 57.788 55.803 0.106 0.000 0.840 326 Q CB -0.344 28.434 28.738 0.066 0.000 0.898 326 Q HN 0.199 nan 8.270 nan 0.000 0.424 327 K N 0.285 120.710 120.400 0.041 0.000 2.057 327 K HA -0.151 4.176 4.320 0.012 0.000 0.207 327 K C 1.976 178.576 176.600 -0.000 0.000 1.049 327 K CA 1.245 57.539 56.287 0.012 0.000 0.931 327 K CB -0.173 32.319 32.500 -0.014 0.000 0.714 327 K HN 0.183 nan 8.250 nan 0.000 0.440 328 A N 1.076 123.870 122.820 -0.043 0.000 1.902 328 A HA -0.097 4.230 4.320 0.012 0.000 0.217 328 A C 2.110 179.723 177.584 0.048 0.000 1.181 328 A CA 1.341 53.330 52.037 -0.080 0.000 0.623 328 A CB -0.608 18.195 19.000 -0.328 0.000 0.818 328 A HN 0.334 nan 8.150 nan 0.000 0.443 329 L N -1.022 120.284 121.223 0.139 0.000 2.141 329 L HA -0.149 4.198 4.340 0.012 0.000 0.209 329 L C 2.511 179.463 176.870 0.137 0.000 1.094 329 L CA 1.442 56.400 54.840 0.198 0.000 0.763 329 L CB -0.341 41.853 42.059 0.225 0.000 0.908 329 L HN 0.341 nan 8.230 nan 0.000 0.437 330 K N -0.397 120.060 120.400 0.095 0.000 2.155 330 K HA -0.191 4.136 4.320 0.012 0.000 0.203 330 K C 2.123 178.763 176.600 0.066 0.000 1.052 330 K CA 0.909 57.240 56.287 0.072 0.000 0.948 330 K CB -0.022 32.509 32.500 0.053 0.000 0.728 330 K HN 0.278 nan 8.250 nan 0.000 0.448 331 Q N 1.042 120.877 119.800 0.060 0.000 2.050 331 Q HA -0.189 4.158 4.340 0.012 0.000 0.202 331 Q C 2.179 178.226 176.000 0.078 0.000 0.980 331 Q CA 1.565 57.400 55.803 0.054 0.000 0.840 331 Q CB -0.033 28.726 28.738 0.034 0.000 0.898 331 Q HN 0.281 nan 8.270 nan 0.000 0.424 332 M N 0.007 119.674 119.600 0.113 0.000 2.117 332 M HA -0.181 4.306 4.480 0.012 0.000 0.262 332 M C 1.929 178.298 176.300 0.115 0.000 1.065 332 M CA 1.234 56.619 55.300 0.142 0.000 1.114 332 M CB -0.050 32.687 32.600 0.228 0.000 1.361 332 M HN 0.377 nan 8.290 nan 0.000 0.408 333 L N 0.613 121.900 121.223 0.106 0.000 2.046 333 L HA -0.218 4.129 4.340 0.012 0.000 0.208 333 L C 1.839 178.749 176.870 0.066 0.000 1.077 333 L CA 2.362 57.252 54.840 0.085 0.000 0.747 333 L CB -0.662 41.444 42.059 0.079 0.000 0.896 333 L HN 0.434 nan 8.230 nan 0.000 0.432 334 D N -1.392 119.044 120.400 0.060 0.000 2.144 334 D HA -0.214 4.433 4.640 0.012 0.000 0.200 334 D C 2.170 178.499 176.300 0.047 0.000 0.978 334 D CA 1.418 55.446 54.000 0.048 0.000 0.833 334 D CB 0.032 40.856 40.800 0.041 0.000 0.961 334 D HN 0.329 nan 8.370 nan 0.000 0.470 335 M N -0.864 118.770 119.600 0.056 0.000 2.175 335 M HA 0.064 4.551 4.480 0.012 0.000 0.264 335 M C 1.803 178.135 176.300 0.054 0.000 1.063 335 M CA 1.474 56.807 55.300 0.055 0.000 1.119 335 M CB -0.144 32.496 32.600 0.067 0.000 1.377 335 M HN 0.241 nan 8.290 nan 0.000 0.415 336 G N 0.929 109.765 108.800 0.061 0.000 2.155 336 G HA2 -0.201 3.766 3.960 0.012 0.000 0.257 336 G HA3 -0.201 3.766 3.960 0.012 0.000 0.257 336 G C 0.113 175.049 174.900 0.059 0.000 0.983 336 G CA 0.272 45.406 45.100 0.057 0.000 0.676 336 G HN 0.582 nan 8.290 nan 0.000 0.528 337 V N -3.557 116.397 119.914 0.067 0.000 3.141 337 V HA 1.035 5.162 4.120 0.012 0.000 0.312 337 V C -0.211 175.930 176.094 0.079 0.000 1.157 337 V CA -0.802 61.538 62.300 0.066 0.000 1.041 337 V CB 1.867 33.720 31.823 0.050 0.000 1.071 337 V HN 1.035 nan 8.190 nan 0.000 0.441 338 R N 1.195 121.740 120.500 0.074 0.000 2.799 338 R HA 0.982 5.329 4.340 0.012 0.000 0.270 338 R C -1.009 175.327 176.300 0.060 0.000 1.010 338 R CA -0.575 55.569 56.100 0.074 0.000 0.916 338 R CB 2.148 32.483 30.300 0.058 0.000 1.228 338 R HN 1.562 nan 8.270 nan 0.000 0.469 339 A N 1.023 123.877 122.820 0.056 0.000 2.455 339 A HA 0.414 4.741 4.320 0.012 0.000 0.300 339 A C -1.002 176.599 177.584 0.028 0.000 1.040 339 A CA -0.880 51.179 52.037 0.036 0.000 0.697 339 A CB 1.568 20.591 19.000 0.038 0.000 1.265 339 A HN 0.773 nan 8.150 nan 0.000 0.407 340 E N 1.048 121.263 120.200 0.026 0.000 2.390 340 E HA 0.081 4.438 4.350 0.012 0.000 0.261 340 E C 0.912 177.479 176.600 -0.055 0.000 1.076 340 E CA 0.012 56.406 56.400 -0.010 0.000 0.905 340 E CB 0.824 30.530 29.700 0.010 0.000 0.984 340 E HN 0.767 nan 8.360 nan 0.000 0.427 341 Q N 1.504 121.228 119.800 -0.127 0.000 2.224 341 Q HA -0.219 4.129 4.340 0.012 0.000 0.203 341 Q C 1.187 177.102 176.000 -0.141 0.000 0.970 341 Q CA 1.300 56.977 55.803 -0.211 0.000 0.865 341 Q CB -0.039 28.348 28.738 -0.586 0.000 0.922 341 Q HN 0.512 nan 8.270 nan 0.000 0.445 342 Q N 1.114 120.853 119.800 -0.102 0.000 2.482 342 Q HA -0.009 4.338 4.340 0.012 0.000 0.209 342 Q C 1.849 177.831 176.000 -0.031 0.000 0.961 342 Q CA 0.817 56.591 55.803 -0.049 0.000 0.945 342 Q CB 0.279 28.994 28.738 -0.037 0.000 1.012 342 Q HN 0.585 nan 8.270 nan 0.000 0.515 343 S N -0.011 115.667 115.700 -0.038 0.000 2.474 343 S HA -0.092 4.385 4.470 0.012 0.000 0.235 343 S C 1.715 176.293 174.600 -0.037 0.000 0.997 343 S CA 0.506 58.680 58.200 -0.044 0.000 0.949 343 S CB -0.239 62.935 63.200 -0.044 0.000 0.766 343 S HN 0.374 nan 8.310 nan 0.000 0.517 344 L N 1.014 122.240 121.223 0.005 0.000 2.261 344 L HA -0.036 4.311 4.340 0.012 0.000 0.216 344 L C 2.952 179.875 176.870 0.088 0.000 1.114 344 L CA 0.996 55.903 54.840 0.112 0.000 0.777 344 L CB -0.683 41.447 42.059 0.118 0.000 0.910 344 L HN 0.492 nan 8.230 nan 0.000 0.440 345 A N -0.129 122.701 122.820 0.017 0.000 2.172 345 A HA -0.218 4.109 4.320 0.012 0.000 0.216 345 A C 2.365 179.884 177.584 -0.107 0.000 1.154 345 A CA 1.406 53.441 52.037 -0.003 0.000 0.701 345 A CB -0.443 18.556 19.000 -0.002 0.000 0.789 345 A HN 0.389 nan 8.150 nan 0.000 0.465 346 K N -0.915 119.335 120.400 -0.249 0.000 2.152 346 K HA -0.179 4.148 4.320 0.012 0.000 0.206 346 K C 0.659 176.911 176.600 -0.581 0.000 1.048 346 K CA 1.672 57.686 56.287 -0.456 0.000 0.933 346 K CB -0.294 31.799 32.500 -0.679 0.000 0.721 346 K HN 0.628 nan 8.250 nan 0.000 0.447 347 Y N 0.243 120.406 120.300 -0.229 0.000 2.495 347 Y HA 0.262 4.821 4.550 0.014 0.000 0.293 347 Y C 0.580 176.406 175.900 -0.123 0.000 1.186 347 Y CA -0.047 57.853 58.100 -0.335 0.000 1.266 347 Y CB 0.839 38.696 38.460 -1.006 0.000 1.101 347 Y HN 0.252 nan 8.280 nan 0.000 0.517 348 G N -0.598 108.228 108.800 0.044 0.000 2.525 348 G HA2 -0.156 3.811 3.960 0.012 0.000 0.685 348 G HA3 -0.156 3.811 3.960 0.012 0.000 0.685 348 G C -0.007 174.969 174.900 0.128 0.000 1.285 348 G CA -0.854 44.308 45.100 0.102 0.000 0.849 348 G HN 0.176 nan 8.290 nan 0.000 0.653 349 L N -0.149 121.131 121.223 0.095 0.000 2.201 349 L HA 0.037 4.384 4.340 0.012 0.000 0.212 349 L C 2.676 179.616 176.870 0.117 0.000 1.105 349 L CA 1.513 56.405 54.840 0.088 0.000 0.775 349 L CB -0.204 41.892 42.059 0.061 0.000 0.913 349 L HN 0.598 nan 8.230 nan 0.000 0.440 350 K N -1.621 118.862 120.400 0.140 0.000 2.374 350 K HA -0.040 4.287 4.320 0.012 0.000 0.196 350 K C 1.605 178.316 176.600 0.185 0.000 1.023 350 K CA -0.012 56.360 56.287 0.141 0.000 1.103 350 K CB 0.227 32.796 32.500 0.115 0.000 0.848 350 K HN 0.104 nan 8.250 nan 0.000 0.528 351 Y N 1.059 121.420 120.300 0.102 0.000 2.165 351 Y HA -0.285 4.317 4.550 0.086 0.000 0.286 351 Y C 2.073 178.041 175.900 0.113 0.000 1.155 351 Y CA 1.297 59.471 58.100 0.124 0.000 1.164 351 Y CB -0.282 38.280 38.460 0.171 0.000 0.978 351 Y HN -0.135 nan 8.280 nan 0.000 0.513 352 V N -0.903 119.124 119.914 0.188 0.000 2.332 352 V HA -0.256 3.871 4.120 0.012 0.000 0.248 352 V C 2.089 178.190 176.094 0.012 0.000 1.055 352 V CA 2.174 64.521 62.300 0.080 0.000 1.038 352 V CB -0.618 31.270 31.823 0.108 0.000 0.651 352 V HN 0.359 nan 8.190 nan 0.000 0.450 353 V N 0.737 120.689 119.914 0.064 0.000 2.379 353 V HA -0.113 4.014 4.120 0.012 0.000 0.245 353 V C 2.198 178.422 176.094 0.218 0.000 1.044 353 V CA 2.312 64.712 62.300 0.166 0.000 1.036 353 V CB -0.673 31.271 31.823 0.203 0.000 0.664 353 V HN 0.608 nan 8.190 nan 0.000 0.453 354 N N -1.144 117.617 118.700 0.101 0.000 2.388 354 N HA 0.012 4.759 4.740 0.012 0.000 0.176 354 N C 1.616 177.113 175.510 -0.022 0.000 1.062 354 N CA 1.144 54.238 53.050 0.072 0.000 0.895 354 N CB 0.556 39.082 38.487 0.065 0.000 1.018 354 N HN 0.419 nan 8.380 nan 0.000 0.456 355 T N -0.703 113.740 114.554 -0.186 0.000 3.205 355 T HA 0.054 4.411 4.350 0.012 0.000 0.238 355 T C 1.545 176.082 174.700 -0.272 0.000 0.974 355 T CA -0.055 61.859 62.100 -0.310 0.000 1.246 355 T CB -0.242 68.195 68.868 -0.719 0.000 1.007 355 T HN 0.060 nan 8.240 nan 0.000 0.414 356 Y N 2.156 122.125 120.300 -0.552 0.000 2.089 356 Y HA -0.038 4.508 4.550 -0.005 0.000 0.282 356 Y C 2.078 177.774 175.900 -0.340 0.000 1.139 356 Y CA 1.415 59.212 58.100 -0.506 0.000 1.123 356 Y CB -0.549 37.578 38.460 -0.556 0.000 0.980 356 Y HN 0.065 nan 8.280 nan 0.000 0.493 357 L N -0.184 120.903 121.223 -0.226 0.000 2.017 357 L HA -0.161 4.186 4.340 0.012 0.000 0.208 357 L C -0.456 176.320 176.870 -0.156 0.000 1.073 357 L CA 1.408 56.061 54.840 -0.312 0.000 0.745 357 L CB -1.802 40.025 42.059 -0.386 0.000 0.894 357 L HN 0.222 nan 8.230 nan 0.000 0.432 358 P HA -0.188 nan 4.420 nan 0.000 0.215 358 P C 1.278 178.565 177.300 -0.021 0.000 1.157 358 P CA 1.393 64.518 63.100 0.042 0.000 0.874 358 P CB 0.035 31.800 31.700 0.109 0.000 0.790 359 E N -0.351 119.802 120.200 -0.079 0.000 2.077 359 E HA -0.178 4.179 4.350 0.012 0.000 0.193 359 E C 1.971 178.509 176.600 -0.102 0.000 0.989 359 E CA 0.992 57.351 56.400 -0.068 0.000 0.800 359 E CB -0.265 29.424 29.700 -0.018 0.000 0.746 359 E HN 0.254 nan 8.360 nan 0.000 0.452 360 K N 0.502 120.755 120.400 -0.244 0.000 2.062 360 K HA -0.065 4.262 4.320 0.012 0.000 0.205 360 K C 2.186 178.829 176.600 0.072 0.000 1.051 360 K CA 0.750 56.912 56.287 -0.209 0.000 0.941 360 K CB -0.145 31.994 32.500 -0.602 0.000 0.719 360 K HN 0.185 nan 8.250 nan 0.000 0.440 361 I N 1.219 121.789 120.570 0.000 0.000 2.394 361 I HA -0.254 3.923 4.170 0.012 0.000 0.251 361 I C 2.176 178.392 176.117 0.165 0.000 1.136 361 I CA 1.287 62.651 61.300 0.107 0.000 1.425 361 I CB -0.085 37.889 38.000 -0.045 0.000 1.079 361 I HN 0.099 nan 8.210 nan 0.000 0.425 362 K N -0.117 120.309 120.400 0.044 0.000 2.103 362 K HA -0.105 4.222 4.320 0.012 0.000 0.204 362 K C 0.619 177.153 176.600 -0.110 0.000 1.052 362 K CA 0.720 56.995 56.287 -0.019 0.000 0.945 362 K CB -0.021 32.466 32.500 -0.021 0.000 0.722 362 K HN 0.060 nan 8.250 nan 0.000 0.443 363 D N 1.644 121.976 120.400 -0.114 0.000 2.468 363 D HA -0.032 4.615 4.640 0.012 0.000 0.218 363 D C 0.444 176.436 176.300 -0.513 0.000 1.155 363 D CA -0.067 53.795 54.000 -0.230 0.000 0.924 363 D CB 0.564 41.282 40.800 -0.137 0.000 1.029 363 D HN 0.249 nan 8.370 nan 0.000 0.515 364 E N 1.097 120.764 120.200 -0.888 0.000 2.511 364 E HA -0.110 4.247 4.350 0.012 0.000 0.196 364 E C 0.882 176.947 176.600 -0.892 0.000 1.066 364 E CA 0.243 55.602 56.400 -1.736 0.000 0.871 364 E CB 0.073 28.602 29.700 -1.952 0.000 0.863 364 E HN 0.252 nan 8.360 nan 0.000 0.520 365 S N 0.465 115.873 115.700 -0.486 0.000 2.522 365 S HA -0.084 4.393 4.470 0.012 0.000 0.227 365 S C 1.901 176.385 174.600 -0.193 0.000 0.986 365 S CA 0.839 58.874 58.200 -0.275 0.000 0.929 365 S CB -0.243 62.842 63.200 -0.192 0.000 0.769 365 S HN 0.385 nan 8.310 nan 0.000 0.529 366 T N -2.989 111.453 114.554 -0.186 0.000 3.086 366 T HA 0.256 4.613 4.350 0.012 0.000 0.250 366 T C 0.126 174.878 174.700 0.088 0.000 1.074 366 T CA -0.756 61.318 62.100 -0.043 0.000 0.988 366 T CB -0.347 68.523 68.868 0.003 0.000 0.988 366 T HN 0.345 nan 8.240 nan 0.000 0.530 367 W N 0.613 121.819 121.300 -0.156 0.000 2.183 367 W HA 0.574 5.235 4.660 0.001 0.000 0.348 367 W C 1.275 177.635 176.519 -0.266 0.000 1.257 367 W CA -2.232 55.004 57.345 -0.183 0.000 1.324 367 W CB 0.169 29.549 29.460 -0.134 0.000 1.144 367 W HN 0.035 nan 8.180 nan 0.000 0.622 368 L N 1.556 122.695 121.223 -0.140 0.000 2.062 368 L HA 0.022 4.369 4.340 0.012 0.000 0.202 368 L C -1.125 175.549 176.870 -0.327 0.000 1.079 368 L CA 0.373 54.898 54.840 -0.526 0.000 0.755 368 L CB -1.574 39.677 42.059 -1.346 0.000 0.913 368 L HN 0.120 nan 8.230 nan 0.000 0.445 369 P HA 0.000 nan 4.420 nan 0.000 0.216 369 P CA 0.000 63.118 63.100 0.030 0.000 0.800 369 P CB 0.000 31.734 31.700 0.057 0.000 0.726