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 3o7z_1_C DATA FIRST_RESID 118 DATA SEQUENCE HLRPYETLGA HADTMDGVTG TRFSVWAPNA RRVSVVGQFN YWDGRRHPMR DATA SEQUENCE LRKESGIWEL FIPGAHNGQL YKYEMIDANG NLRLKSDPYA FEAQMRPETA DATA SEQUENCE SLICGLPEKV VQTEERKKAN QFDAPISIYE VHLGSWRRHT DNNFWLSYRE DATA SEQUENCE LADQLVPYAK WMGFTHLELL PINEHPFDGS WGYQPTGLYA PTRRFGTRDD DATA SEQUENCE FRYFIDAAHA AGLNVILDWV PGHFPTDDFA LAEFDGTNLY EHSXXXXXXX DATA SEQUENCE XXXXXLIYNY GRREVSNFLV GNALYWIERF GIDALRVDAV ASMIYRDXXX DATA SEQUENCE XXXXXXXNEF GGRENLEAIE FLRNTNRILG EQVSGAVTMA EESTDFPGVS DATA SEQUENCE RPQDMGGLGF WYKWNLGWMH DTLDYMKLDP VYRQYHHDKL TFGILYNYTE DATA SEQUENCE NFVLPLSHDE VVHGKKSILD RMPGDAWQKF ANLRAYYGWM WAFPGKKLLF DATA SEQUENCE MGNEFAQGRE WNHDASLDWH LLEGGDNWHH GVQRLVRDLN LTYRHHKAMH DATA SEQUENCE ELDFDPYGFE WLVVDDKERS VLIFVRRDKE GNEIIVASNF TPVPRHDYRF DATA SEQUENCE GINQPGKWRE ILNTDSMHYH GSNAGNGGTV HSDEIASHGR QHSLSLTLPP DATA SEQUENCE LATIWLVREA E 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 118 H HA 0.000 nan 4.556 nan 0.000 0.296 118 H C 0.000 175.321 175.328 -0.011 0.000 0.993 118 H CA 0.000 56.024 56.048 -0.040 0.000 1.023 118 H CB 0.000 29.745 29.762 -0.028 0.000 1.292 119 L N 1.075 122.290 121.223 -0.014 0.000 2.240 119 L HA 0.279 4.619 4.340 0.001 0.000 0.211 119 L C 1.086 177.974 176.870 0.030 0.000 1.106 119 L CA 1.424 56.279 54.840 0.024 0.000 0.793 119 L CB -0.109 41.962 42.059 0.019 0.000 0.927 119 L HN 0.513 nan 8.230 nan 0.000 0.446 120 R N -0.224 120.217 120.500 -0.098 0.000 2.748 120 R HA 0.216 4.557 4.340 0.001 0.000 0.283 120 R C -1.683 174.344 176.300 -0.455 0.000 1.507 120 R CA -1.146 54.742 56.100 -0.354 0.000 1.666 120 R CB 0.521 30.474 30.300 -0.578 0.000 1.237 120 R HN 0.009 nan 8.270 nan 0.000 0.633 121 P HA -0.202 nan 4.420 nan 0.000 0.225 121 P C 0.711 177.859 177.300 -0.252 0.000 1.148 121 P CA 1.132 64.152 63.100 -0.133 0.000 0.779 121 P CB 0.054 31.797 31.700 0.072 0.000 0.780 122 Y N 0.081 120.384 120.300 0.005 0.000 2.497 122 Y HA 0.096 4.647 4.550 0.001 0.000 0.292 122 Y C 1.757 177.752 175.900 0.159 0.000 1.137 122 Y CA 0.338 58.466 58.100 0.047 0.000 1.285 122 Y CB -1.673 36.913 38.460 0.209 0.000 0.991 122 Y HN -0.037 nan 8.280 nan 0.000 0.556 123 E N 0.349 120.385 120.200 -0.274 0.000 2.481 123 E HA -0.034 4.316 4.350 0.001 0.000 0.195 123 E C 1.396 177.744 176.600 -0.420 0.000 1.047 123 E CA 1.235 57.502 56.400 -0.221 0.000 0.867 123 E CB 0.148 29.665 29.700 -0.305 0.000 0.858 123 E HN 0.766 nan 8.360 nan 0.000 0.513 124 T N -2.650 111.696 114.554 -0.347 0.000 3.115 124 T HA 0.206 4.557 4.350 0.001 0.000 0.256 124 T C 0.823 175.424 174.700 -0.165 0.000 0.970 124 T CA -0.413 61.475 62.100 -0.354 0.000 1.010 124 T CB 0.072 68.808 68.868 -0.220 0.000 1.151 124 T HN -0.116 nan 8.240 nan 0.000 0.479 125 L N 2.210 123.340 121.223 -0.155 0.000 2.453 125 L HA 0.546 4.887 4.340 0.001 0.000 0.261 125 L C 1.496 178.386 176.870 0.033 0.000 1.179 125 L CA 0.762 55.505 54.840 -0.161 0.000 0.813 125 L CB 0.145 41.853 42.059 -0.586 0.000 1.110 125 L HN 0.819 nan 8.230 nan 0.000 0.466 126 G N 1.453 110.337 108.800 0.141 0.000 2.527 126 G HA2 -0.053 3.907 3.960 0.001 0.000 0.227 126 G HA3 -0.053 3.907 3.960 0.001 0.000 0.227 126 G C -0.715 174.285 174.900 0.166 0.000 1.291 126 G CA -0.244 44.965 45.100 0.182 0.000 0.904 126 G HN 1.039 nan 8.290 nan 0.000 0.577 127 A N 0.401 123.167 122.820 -0.090 0.000 2.287 127 A HA 0.805 5.126 4.320 0.001 0.000 0.317 127 A C -0.299 177.040 177.584 -0.408 0.000 1.220 127 A CA -0.274 51.557 52.037 -0.343 0.000 0.835 127 A CB 0.710 19.398 19.000 -0.520 0.000 1.180 127 A HN 0.972 nan 8.150 nan 0.000 0.500 128 H N 1.218 120.183 119.070 -0.174 0.000 2.806 128 H HA 0.536 5.092 4.556 0.001 0.000 0.367 128 H C 0.119 175.390 175.328 -0.096 0.000 1.136 128 H CA -0.298 55.721 56.048 -0.047 0.000 1.178 128 H CB 2.139 31.909 29.762 0.013 0.000 1.718 128 H HN 0.882 nan 8.280 nan 0.000 0.540 129 A N 2.235 125.095 122.820 0.067 0.000 2.540 129 A HA 0.192 4.512 4.320 0.001 0.000 0.239 129 A C 0.024 177.668 177.584 0.100 0.000 1.061 129 A CA 0.606 52.673 52.037 0.049 0.000 0.758 129 A CB 0.049 19.079 19.000 0.049 0.000 0.991 129 A HN 0.703 nan 8.150 nan 0.000 0.502 130 D N -0.524 119.978 120.400 0.170 0.000 2.599 130 D HA 0.620 5.261 4.640 0.001 0.000 0.252 130 D C -1.387 175.024 176.300 0.185 0.000 1.232 130 D CA -0.041 54.062 54.000 0.172 0.000 0.819 130 D CB 2.133 43.062 40.800 0.215 0.000 1.401 130 D HN 0.352 nan 8.370 nan 0.000 0.429 131 T N 1.912 116.438 114.554 -0.048 0.000 2.937 131 T HA 0.389 4.740 4.350 0.001 0.000 0.297 131 T C -0.439 174.089 174.700 -0.288 0.000 0.991 131 T CA -0.568 61.480 62.100 -0.088 0.000 0.990 131 T CB 0.764 69.613 68.868 -0.032 0.000 0.991 131 T HN 0.184 nan 8.240 nan 0.000 0.440 132 M N 3.226 122.589 119.600 -0.396 0.000 2.065 132 M HA 0.269 4.750 4.480 0.001 0.000 0.332 132 M C -0.403 175.801 176.300 -0.159 0.000 0.988 132 M CA -0.327 54.746 55.300 -0.378 0.000 0.944 132 M CB 0.572 32.795 32.600 -0.628 0.000 1.357 132 M HN 0.617 nan 8.290 nan 0.000 0.388 133 D N 2.629 122.964 120.400 -0.109 0.000 2.760 133 D HA -0.144 4.496 4.640 0.001 0.000 0.244 133 D C 1.144 177.428 176.300 -0.028 0.000 1.123 133 D CA 1.883 55.849 54.000 -0.057 0.000 0.719 133 D CB -0.915 39.858 40.800 -0.045 0.000 1.045 133 D HN 1.140 nan 8.370 nan 0.000 0.426 134 G N -1.795 106.991 108.800 -0.024 0.000 2.184 134 G HA2 -0.318 3.642 3.960 0.001 0.000 0.264 134 G HA3 -0.318 3.642 3.960 0.001 0.000 0.264 134 G C 0.421 175.335 174.900 0.023 0.000 0.975 134 G CA 0.306 45.406 45.100 -0.001 0.000 0.642 134 G HN 0.750 nan 8.290 nan 0.000 0.536 135 V N 2.545 122.479 119.914 0.034 0.000 2.318 135 V HA 0.585 4.706 4.120 0.001 0.000 0.271 135 V C 0.977 177.190 176.094 0.198 0.000 1.030 135 V CA 0.106 62.471 62.300 0.107 0.000 0.844 135 V CB 0.952 32.863 31.823 0.146 0.000 1.015 135 V HN 0.686 nan 8.190 nan 0.000 0.460 136 T N 2.322 116.977 114.554 0.169 0.000 2.899 136 T HA 0.884 5.235 4.350 0.001 0.000 0.284 136 T C 0.308 175.122 174.700 0.191 0.000 1.004 136 T CA 0.323 62.547 62.100 0.206 0.000 1.043 136 T CB 1.924 70.849 68.868 0.094 0.000 1.013 136 T HN 1.196 nan 8.240 nan 0.000 0.518 137 G N 0.482 109.361 108.800 0.133 0.000 2.367 137 G HA2 0.449 4.409 3.960 0.001 0.000 0.272 137 G HA3 0.449 4.409 3.960 0.001 0.000 0.272 137 G C -1.157 173.591 174.900 -0.254 0.000 1.271 137 G CA -0.521 44.446 45.100 -0.222 0.000 0.893 137 G HN 0.901 nan 8.290 nan 0.000 0.485 138 T N 0.601 114.798 114.554 -0.596 0.000 2.824 138 T HA 0.636 4.986 4.350 0.001 0.000 0.282 138 T C -0.128 174.225 174.700 -0.578 0.000 0.993 138 T CA -0.529 61.250 62.100 -0.536 0.000 0.967 138 T CB 1.858 70.275 68.868 -0.751 0.000 0.960 138 T HN 0.650 nan 8.240 nan 0.000 0.441 139 R N 2.550 122.890 120.500 -0.268 0.000 2.312 139 R HA 0.552 4.893 4.340 0.001 0.000 0.311 139 R C -1.379 174.720 176.300 -0.335 0.000 1.004 139 R CA -0.443 55.622 56.100 -0.058 0.000 0.902 139 R CB 0.460 30.859 30.300 0.164 0.000 1.073 139 R HN 0.478 nan 8.270 nan 0.000 0.457 140 F N 1.238 121.233 119.950 0.075 0.000 2.469 140 F HA 0.421 4.949 4.527 0.001 0.000 0.332 140 F C 0.044 175.975 175.800 0.219 0.000 1.103 140 F CA -0.473 57.609 58.000 0.137 0.000 0.979 140 F CB 2.487 41.561 39.000 0.124 0.000 1.137 140 F HN 0.362 nan 8.300 nan 0.000 0.463 141 S N 1.894 117.849 115.700 0.424 0.000 2.614 141 S HA 0.654 5.125 4.470 0.001 0.000 0.275 141 S C -1.609 173.154 174.600 0.272 0.000 1.161 141 S CA -0.682 57.693 58.200 0.292 0.000 0.969 141 S CB 1.965 65.280 63.200 0.192 0.000 1.059 141 S HN 0.514 nan 8.310 nan 0.000 0.482 142 V N 4.142 124.183 119.914 0.211 0.000 2.851 142 V HA 0.660 4.780 4.120 0.001 0.000 0.307 142 V C -1.999 174.312 176.094 0.361 0.000 1.129 142 V CA -0.659 61.756 62.300 0.191 0.000 0.932 142 V CB 1.747 33.423 31.823 -0.244 0.000 1.024 142 V HN 0.964 nan 8.190 nan 0.000 0.426 143 W N 7.210 128.628 121.300 0.196 0.000 2.387 143 W HA 0.715 5.376 4.660 0.001 0.000 0.310 143 W C 0.021 176.714 176.519 0.290 0.000 1.181 143 W CA -0.244 57.217 57.345 0.194 0.000 1.333 143 W CB 0.939 30.466 29.460 0.111 0.000 1.286 143 W HN 0.903 nan 8.180 nan 0.000 0.455 144 A N 8.616 131.473 122.820 0.062 0.000 3.307 144 A HA 0.332 4.652 4.320 0.001 0.000 0.289 144 A C -2.012 175.620 177.584 0.080 0.000 1.138 144 A CA -0.840 51.209 52.037 0.020 0.000 0.860 144 A CB 0.550 19.663 19.000 0.188 0.000 1.318 144 A HN 0.394 nan 8.150 nan 0.000 0.551 145 P HA -0.136 nan 4.420 nan 0.000 0.218 145 P C 0.696 177.999 177.300 0.005 0.000 1.148 145 P CA 1.636 64.681 63.100 -0.091 0.000 0.822 145 P CB 0.083 31.699 31.700 -0.140 0.000 0.784 146 N N -1.560 117.135 118.700 -0.008 0.000 2.203 146 N HA 0.251 4.991 4.740 0.001 0.000 0.207 146 N C 0.295 175.841 175.510 0.061 0.000 1.130 146 N CA -0.288 52.774 53.050 0.020 0.000 0.861 146 N CB 0.141 38.612 38.487 -0.027 0.000 1.005 146 N HN 0.044 nan 8.380 nan 0.000 0.507 147 A N 0.865 123.762 122.820 0.128 0.000 2.406 147 A HA 0.218 4.539 4.320 0.001 0.000 0.243 147 A C 1.121 178.810 177.584 0.176 0.000 1.082 147 A CA -0.106 51.965 52.037 0.056 0.000 0.786 147 A CB 0.542 19.485 19.000 -0.096 0.000 1.029 147 A HN 0.273 nan 8.150 nan 0.000 0.495 148 R N -0.367 120.165 120.500 0.052 0.000 2.156 148 R HA 0.163 4.504 4.340 0.001 0.000 0.207 148 R C 0.521 176.904 176.300 0.139 0.000 1.040 148 R CA 0.620 56.788 56.100 0.112 0.000 1.013 148 R CB 0.267 30.587 30.300 0.033 0.000 0.931 148 R HN 0.686 nan 8.270 nan 0.000 0.465 149 R N 0.376 120.796 120.500 -0.134 0.000 2.604 149 R HA 0.397 4.738 4.340 0.001 0.000 0.270 149 R C -1.886 173.999 176.300 -0.692 0.000 1.052 149 R CA -0.457 55.462 56.100 -0.301 0.000 0.902 149 R CB 2.683 32.913 30.300 -0.116 0.000 1.233 149 R HN -0.144 nan 8.270 nan 0.000 0.455 150 V N 1.553 120.890 119.914 -0.962 0.000 2.733 150 V HA 0.475 4.595 4.120 0.001 0.000 0.306 150 V C -0.539 175.381 176.094 -0.289 0.000 1.084 150 V CA -0.784 61.079 62.300 -0.729 0.000 0.905 150 V CB 2.166 33.296 31.823 -1.156 0.000 1.010 150 V HN 0.745 nan 8.190 nan 0.000 0.424 151 S N 2.070 117.707 115.700 -0.104 0.000 2.607 151 S HA 0.734 5.204 4.470 0.001 0.000 0.303 151 S C -0.461 174.211 174.600 0.119 0.000 1.086 151 S CA -0.662 57.556 58.200 0.030 0.000 0.995 151 S CB 2.163 65.380 63.200 0.028 0.000 1.084 151 S HN 0.520 nan 8.310 nan 0.000 0.507 152 V N 2.883 122.844 119.914 0.078 0.000 2.406 152 V HA 0.514 4.635 4.120 0.001 0.000 0.272 152 V C -0.044 176.012 176.094 -0.064 0.000 1.043 152 V CA -0.555 61.692 62.300 -0.088 0.000 0.915 152 V CB 0.574 32.085 31.823 -0.521 0.000 0.988 152 V HN 0.684 nan 8.190 nan 0.000 0.466 153 V N 2.191 122.033 119.914 -0.119 0.000 2.735 153 V HA 1.141 5.262 4.120 0.001 0.000 0.310 153 V C 0.097 175.748 176.094 -0.739 0.000 1.061 153 V CA 0.165 62.316 62.300 -0.249 0.000 0.913 153 V CB 1.372 33.201 31.823 0.009 0.000 1.005 153 V HN 1.129 nan 8.190 nan 0.000 0.428 154 G N 2.286 110.129 108.800 -1.594 0.000 2.428 154 G HA2 0.309 4.270 3.960 0.001 0.000 0.305 154 G HA3 0.309 4.270 3.960 0.001 0.000 0.305 154 G C -0.366 173.111 174.900 -2.372 0.000 1.260 154 G CA -0.014 43.618 45.100 -2.448 0.000 0.853 154 G HN 0.596 nan 8.290 nan 0.000 0.480 155 Q N -0.768 118.103 119.800 -1.548 0.000 2.224 155 Q HA -0.022 4.319 4.340 0.001 0.000 0.203 155 Q C 2.001 177.653 176.000 -0.580 0.000 0.970 155 Q CA 1.849 57.217 55.803 -0.726 0.000 0.865 155 Q CB -0.254 28.343 28.738 -0.234 0.000 0.922 155 Q HN 0.582 nan 8.270 nan 0.000 0.445 156 F N -1.599 118.122 119.950 -0.381 0.000 2.802 156 F HA 0.146 4.673 4.527 0.001 0.000 0.300 156 F C 1.007 176.609 175.800 -0.330 0.000 1.168 156 F CA 0.379 58.192 58.000 -0.312 0.000 1.433 156 F CB -0.202 38.634 39.000 -0.273 0.000 1.115 156 F HN -0.044 nan 8.300 nan 0.000 0.582 157 N N -1.537 116.827 118.700 -0.561 0.000 2.145 157 N HA 0.081 4.821 4.740 0.001 0.000 0.219 157 N C -0.470 174.906 175.510 -0.223 0.000 1.266 157 N CA -0.112 52.758 53.050 -0.301 0.000 0.902 157 N CB 0.338 38.649 38.487 -0.293 0.000 1.078 157 N HN 0.220 nan 8.380 nan 0.000 0.513 158 Y N -0.380 119.782 120.300 -0.230 0.000 3.721 158 Y HA -0.307 4.244 4.550 0.001 0.000 0.218 158 Y C -0.581 175.352 175.900 0.055 0.000 1.188 158 Y CA 0.014 58.084 58.100 -0.049 0.000 1.607 158 Y CB -2.331 36.143 38.460 0.024 0.000 1.496 158 Y HN 0.306 nan 8.280 nan 0.000 0.626 159 W N -1.253 120.022 121.300 -0.041 0.000 4.233 159 W HA -0.267 4.393 4.660 0.001 0.000 0.328 159 W C 0.489 176.989 176.519 -0.033 0.000 1.212 159 W CA 1.119 58.417 57.345 -0.079 0.000 0.752 159 W CB -1.302 28.119 29.460 -0.065 0.000 2.277 159 W HN 0.362 nan 8.180 nan 0.000 1.465 160 D N 0.545 121.008 120.400 0.105 0.000 2.336 160 D HA 0.314 4.954 4.640 0.001 0.000 0.249 160 D C 1.524 177.856 176.300 0.054 0.000 1.213 160 D CA 0.965 55.018 54.000 0.089 0.000 0.870 160 D CB 1.060 41.908 40.800 0.080 0.000 1.076 160 D HN 0.090 nan 8.370 nan 0.000 0.483 161 G N 4.326 113.158 108.800 0.053 0.000 2.471 161 G HA2 -0.223 3.738 3.960 0.001 0.000 0.219 161 G HA3 -0.223 3.738 3.960 0.001 0.000 0.219 161 G C 1.236 176.148 174.900 0.019 0.000 1.125 161 G CA 0.202 45.323 45.100 0.035 0.000 0.775 161 G HN 0.537 nan 8.290 nan 0.000 0.548 162 R N 0.060 120.566 120.500 0.010 0.000 2.427 162 R HA 0.316 4.656 4.340 0.001 0.000 0.262 162 R C 1.402 177.683 176.300 -0.032 0.000 0.943 162 R CA -0.397 55.701 56.100 -0.003 0.000 1.081 162 R CB -0.205 30.093 30.300 -0.002 0.000 1.166 162 R HN 0.117 nan 8.270 nan 0.000 0.534 163 R N 0.336 120.803 120.500 -0.056 0.000 2.100 163 R HA 0.098 4.438 4.340 0.001 0.000 0.220 163 R C -0.022 176.060 176.300 -0.363 0.000 1.091 163 R CA 0.775 56.753 56.100 -0.204 0.000 0.986 163 R CB 0.162 30.333 30.300 -0.216 0.000 0.888 163 R HN 0.328 nan 8.270 nan 0.000 0.444 164 H N 0.350 119.431 119.070 0.019 0.000 2.439 164 H HA 0.284 4.841 4.556 0.001 0.000 0.228 164 H C -2.330 173.018 175.328 0.034 0.000 1.423 164 H CA -2.072 53.990 56.048 0.023 0.000 1.386 164 H CB 1.302 31.068 29.762 0.007 0.000 1.641 164 H HN 0.055 nan 8.280 nan 0.000 0.508 165 P HA 0.104 nan 4.420 nan 0.000 0.271 165 P C 0.233 177.643 177.300 0.185 0.000 1.218 165 P CA -0.114 63.059 63.100 0.122 0.000 0.780 165 P CB 1.383 33.142 31.700 0.098 0.000 0.901 166 M N 1.589 121.330 119.600 0.236 0.000 2.706 166 M HA 0.506 4.987 4.480 0.001 0.000 0.304 166 M C 0.609 177.188 176.300 0.465 0.000 1.217 166 M CA -0.734 54.770 55.300 0.339 0.000 0.922 166 M CB 1.836 34.671 32.600 0.392 0.000 1.637 166 M HN 0.205 nan 8.290 nan 0.000 0.492 167 R N 1.080 121.792 120.500 0.353 0.000 2.534 167 R HA 0.533 4.874 4.340 0.001 0.000 0.301 167 R C -1.652 174.600 176.300 -0.080 0.000 0.961 167 R CA -0.621 55.577 56.100 0.163 0.000 0.871 167 R CB 1.361 31.712 30.300 0.084 0.000 1.170 167 R HN 0.749 nan 8.270 nan 0.000 0.446 168 L N 5.552 126.450 121.223 -0.542 0.000 2.313 168 L HA 0.320 4.661 4.340 0.001 0.000 0.282 168 L C -0.191 176.438 176.870 -0.402 0.000 1.092 168 L CA -0.449 53.859 54.840 -0.887 0.000 0.831 168 L CB 0.487 41.706 42.059 -1.400 0.000 1.159 168 L HN 0.604 nan 8.230 nan 0.000 0.442 169 R N 5.287 125.625 120.500 -0.270 0.000 2.210 169 R HA 0.122 4.463 4.340 0.001 0.000 0.338 169 R C 0.593 176.804 176.300 -0.150 0.000 1.062 169 R CA -0.597 55.414 56.100 -0.148 0.000 0.902 169 R CB 0.651 30.908 30.300 -0.072 0.000 1.050 169 R HN 0.522 nan 8.270 nan 0.000 0.461 170 K N 2.555 122.876 120.400 -0.133 0.000 2.147 170 K HA -0.166 4.154 4.320 0.001 0.000 0.205 170 K C 1.170 177.739 176.600 -0.051 0.000 1.049 170 K CA 1.513 57.736 56.287 -0.106 0.000 0.936 170 K CB 0.286 32.736 32.500 -0.084 0.000 0.722 170 K HN 0.496 nan 8.250 nan 0.000 0.446 171 E N 0.362 120.541 120.200 -0.036 0.000 2.153 171 E HA -0.123 4.227 4.350 0.001 0.000 0.194 171 E C 1.843 178.452 176.600 0.015 0.000 0.988 171 E CA 1.658 58.051 56.400 -0.011 0.000 0.811 171 E CB -0.199 29.493 29.700 -0.014 0.000 0.746 171 E HN 0.353 nan 8.360 nan 0.000 0.466 172 S N -1.863 113.851 115.700 0.023 0.000 2.539 172 S HA 0.380 4.851 4.470 0.001 0.000 0.226 172 S C 1.698 176.419 174.600 0.202 0.000 1.054 172 S CA 0.039 58.284 58.200 0.075 0.000 0.910 172 S CB 0.608 63.833 63.200 0.042 0.000 0.818 172 S HN 0.435 nan 8.310 nan 0.000 0.490 173 G N 1.352 110.225 108.800 0.122 0.000 2.132 173 G HA2 -0.182 3.778 3.960 0.001 0.000 0.234 173 G HA3 -0.182 3.778 3.960 0.001 0.000 0.234 173 G C -0.150 174.871 174.900 0.201 0.000 0.989 173 G CA 0.097 45.281 45.100 0.140 0.000 0.676 173 G HN 0.564 nan 8.290 nan 0.000 0.522 174 I N 0.428 121.078 120.570 0.133 0.000 2.312 174 I HA 0.398 4.568 4.170 0.001 0.000 0.290 174 I C 0.203 176.352 176.117 0.053 0.000 1.008 174 I CA -1.004 60.412 61.300 0.194 0.000 1.226 174 I CB 0.615 38.715 38.000 0.166 0.000 1.371 174 I HN 0.108 nan 8.210 nan 0.000 0.468 175 W N 5.890 127.242 121.300 0.087 0.000 2.287 175 W HA 0.377 5.037 4.660 0.001 0.000 0.313 175 W C 0.443 177.017 176.519 0.092 0.000 1.267 175 W CA -0.120 57.263 57.345 0.063 0.000 1.201 175 W CB 0.447 29.919 29.460 0.020 0.000 1.196 175 W HN 0.402 nan 8.180 nan 0.000 0.536 176 E N 2.706 123.080 120.200 0.290 0.000 2.288 176 E HA 0.716 5.066 4.350 0.001 0.000 0.268 176 E C -2.044 174.717 176.600 0.268 0.000 0.885 176 E CA -1.055 55.495 56.400 0.250 0.000 0.767 176 E CB 1.825 31.620 29.700 0.158 0.000 1.220 176 E HN 0.427 nan 8.360 nan 0.000 0.427 177 L N 3.948 125.349 121.223 0.297 0.000 2.592 177 L HA 0.475 4.816 4.340 0.001 0.000 0.258 177 L C -2.143 174.922 176.870 0.325 0.000 0.926 177 L CA -0.423 54.589 54.840 0.286 0.000 0.885 177 L CB 1.616 43.828 42.059 0.256 0.000 1.380 177 L HN 0.644 nan 8.230 nan 0.000 0.415 178 F N 5.578 125.595 119.950 0.111 0.000 2.408 178 F HA 0.722 5.249 4.527 0.001 0.000 0.344 178 F C -0.531 175.285 175.800 0.026 0.000 1.112 178 F CA -0.445 57.587 58.000 0.053 0.000 1.096 178 F CB 0.923 39.934 39.000 0.018 0.000 1.129 178 F HN 0.328 nan 8.300 nan 0.000 0.486 179 I N 8.081 128.216 120.570 -0.725 0.000 2.420 179 I HA 0.286 4.457 4.170 0.001 0.000 0.282 179 I C -2.409 173.171 176.117 -0.896 0.000 1.019 179 I CA -2.233 58.671 61.300 -0.659 0.000 1.130 179 I CB 1.381 38.973 38.000 -0.680 0.000 1.262 179 I HN 0.384 nan 8.210 nan 0.000 0.454 180 P HA 0.103 nan 4.420 nan 0.000 0.268 180 P C 0.979 178.129 177.300 -0.250 0.000 1.204 180 P CA 0.731 63.633 63.100 -0.331 0.000 0.768 180 P CB 0.842 32.530 31.700 -0.021 0.000 0.842 181 G N 1.975 110.671 108.800 -0.173 0.000 2.363 181 G HA2 -0.265 3.695 3.960 0.001 0.000 0.238 181 G HA3 -0.265 3.695 3.960 0.001 0.000 0.238 181 G C 0.477 175.353 174.900 -0.040 0.000 1.062 181 G CA 0.049 45.106 45.100 -0.072 0.000 0.629 181 G HN 0.861 nan 8.290 nan 0.000 0.514 182 A N 2.419 125.078 122.820 -0.269 0.000 2.524 182 A HA 0.561 4.882 4.320 0.001 0.000 0.250 182 A C 0.607 178.075 177.584 -0.194 0.000 1.078 182 A CA 1.049 52.860 52.037 -0.376 0.000 0.761 182 A CB -0.249 18.234 19.000 -0.862 0.000 1.012 182 A HN 1.535 nan 8.150 nan 0.000 0.500 183 H N 1.043 120.043 119.070 -0.117 0.000 2.949 183 H HA 0.435 4.992 4.556 0.001 0.000 0.356 183 H C -0.726 174.602 175.328 -0.001 0.000 1.212 183 H CA -1.291 54.718 56.048 -0.065 0.000 1.136 183 H CB 0.336 30.079 29.762 -0.032 0.000 1.869 183 H HN 0.518 nan 8.280 nan 0.000 0.556 184 N N -0.610 118.170 118.700 0.133 0.000 2.294 184 N HA 0.149 4.890 4.740 0.001 0.000 0.248 184 N C 1.457 177.048 175.510 0.136 0.000 1.242 184 N CA 2.598 55.718 53.050 0.117 0.000 0.848 184 N CB 0.104 38.669 38.487 0.131 0.000 1.084 184 N HN 0.942 nan 8.380 nan 0.000 0.457 185 G N 0.673 109.539 108.800 0.109 0.000 2.241 185 G HA2 -0.267 3.693 3.960 0.001 0.000 0.244 185 G HA3 -0.267 3.693 3.960 0.001 0.000 0.244 185 G C -0.169 174.772 174.900 0.068 0.000 0.998 185 G CA -0.111 45.054 45.100 0.109 0.000 0.621 185 G HN 0.605 nan 8.290 nan 0.000 0.519 186 Q N 0.480 120.280 119.800 -0.001 0.000 2.261 186 Q HA 0.629 4.969 4.340 0.001 0.000 0.252 186 Q C 0.391 176.485 176.000 0.156 0.000 0.915 186 Q CA -0.419 55.396 55.803 0.021 0.000 0.915 186 Q CB 1.461 30.169 28.738 -0.049 0.000 1.204 186 Q HN 0.459 nan 8.270 nan 0.000 0.421 187 L N 3.713 125.011 121.223 0.124 0.000 2.397 187 L HA 0.328 4.669 4.340 0.001 0.000 0.271 187 L C -0.368 176.542 176.870 0.066 0.000 1.148 187 L CA -0.288 54.656 54.840 0.173 0.000 0.825 187 L CB -0.161 42.060 42.059 0.269 0.000 1.117 187 L HN 0.634 nan 8.230 nan 0.000 0.456 188 Y N 0.648 120.934 120.300 -0.022 0.000 2.689 188 Y HA 0.768 5.319 4.550 0.001 0.000 0.333 188 Y C -1.319 174.566 175.900 -0.025 0.000 1.208 188 Y CA -1.513 56.460 58.100 -0.213 0.000 1.055 188 Y CB 1.530 39.910 38.460 -0.134 0.000 1.304 188 Y HN 0.394 nan 8.280 nan 0.000 0.455 189 K N 0.245 120.599 120.400 -0.077 0.000 2.533 189 K HA 0.450 4.770 4.320 0.001 0.000 0.284 189 K C -2.187 174.302 176.600 -0.185 0.000 1.025 189 K CA -1.088 55.099 56.287 -0.167 0.000 0.900 189 K CB 2.395 34.931 32.500 0.060 0.000 1.519 189 K HN 0.629 nan 8.250 nan 0.000 0.432 190 Y N 1.081 121.446 120.300 0.109 0.000 2.330 190 Y HA 0.252 4.802 4.550 0.001 0.000 0.336 190 Y C 0.101 175.983 175.900 -0.031 0.000 1.036 190 Y CA -0.558 57.567 58.100 0.042 0.000 1.125 190 Y CB 1.403 39.890 38.460 0.045 0.000 1.194 190 Y HN 0.422 nan 8.280 nan 0.000 0.469 191 E N 5.390 125.646 120.200 0.092 0.000 2.146 191 E HA 0.461 4.812 4.350 0.001 0.000 0.282 191 E C -1.000 175.548 176.600 -0.087 0.000 0.989 191 E CA -0.664 55.735 56.400 -0.001 0.000 0.799 191 E CB 0.651 30.354 29.700 0.006 0.000 1.088 191 E HN 0.732 nan 8.360 nan 0.000 0.397 192 M N 3.204 122.715 119.600 -0.148 0.000 2.530 192 M HA 0.496 4.977 4.480 0.001 0.000 0.307 192 M C -1.135 175.046 176.300 -0.198 0.000 1.161 192 M CA -0.937 54.219 55.300 -0.239 0.000 0.903 192 M CB 1.674 34.068 32.600 -0.343 0.000 1.711 192 M HN 0.204 nan 8.290 nan 0.000 0.451 193 I N 2.720 123.172 120.570 -0.196 0.000 2.291 193 I HA 0.210 4.380 4.170 0.001 0.000 0.292 193 I C 0.024 176.050 176.117 -0.151 0.000 1.064 193 I CA -0.152 61.062 61.300 -0.144 0.000 1.269 193 I CB 0.016 37.956 38.000 -0.099 0.000 1.418 193 I HN 0.803 nan 8.210 nan 0.000 0.485 194 D N 4.348 124.656 120.400 -0.153 0.000 2.535 194 D HA -0.140 4.500 4.640 0.001 0.000 0.223 194 D C 1.274 177.521 176.300 -0.088 0.000 1.264 194 D CA 0.632 54.549 54.000 -0.138 0.000 0.883 194 D CB 0.847 41.570 40.800 -0.129 0.000 1.245 194 D HN 0.687 nan 8.370 nan 0.000 0.539 195 A N 2.273 125.049 122.820 -0.074 0.000 2.019 195 A HA -0.168 4.153 4.320 0.001 0.000 0.219 195 A C 1.206 178.767 177.584 -0.039 0.000 1.164 195 A CA 1.128 53.141 52.037 -0.041 0.000 0.644 195 A CB -0.164 18.814 19.000 -0.037 0.000 0.805 195 A HN 0.572 nan 8.150 nan 0.000 0.449 196 N N -0.763 117.904 118.700 -0.055 0.000 2.376 196 N HA 0.247 4.987 4.740 0.001 0.000 0.249 196 N C 0.999 176.479 175.510 -0.050 0.000 1.140 196 N CA 0.699 53.720 53.050 -0.048 0.000 0.870 196 N CB 0.680 39.136 38.487 -0.052 0.000 1.124 196 N HN 0.562 nan 8.380 nan 0.000 0.505 197 G N 1.110 109.880 108.800 -0.051 0.000 2.245 197 G HA2 -0.284 3.677 3.960 0.001 0.000 0.264 197 G HA3 -0.284 3.677 3.960 0.001 0.000 0.264 197 G C 0.193 175.055 174.900 -0.064 0.000 0.985 197 G CA -0.156 44.915 45.100 -0.049 0.000 0.625 197 G HN 0.355 nan 8.290 nan 0.000 0.536 198 N N 0.477 119.127 118.700 -0.083 0.000 2.513 198 N HA 0.353 5.094 4.740 0.001 0.000 0.268 198 N C -0.007 175.436 175.510 -0.113 0.000 1.180 198 N CA -0.216 52.775 53.050 -0.098 0.000 0.948 198 N CB 1.378 39.794 38.487 -0.119 0.000 1.083 198 N HN 0.288 nan 8.380 nan 0.000 0.455 199 L N 4.038 125.203 121.223 -0.097 0.000 2.315 199 L HA 0.276 4.617 4.340 0.001 0.000 0.283 199 L C -0.300 176.501 176.870 -0.115 0.000 1.089 199 L CA 0.201 54.983 54.840 -0.098 0.000 0.833 199 L CB -0.098 41.919 42.059 -0.070 0.000 1.170 199 L HN 0.321 nan 8.230 nan 0.000 0.442 200 R N 5.263 125.681 120.500 -0.136 0.000 2.621 200 R HA 0.518 4.858 4.340 0.001 0.000 0.284 200 R C -1.353 174.873 176.300 -0.123 0.000 0.998 200 R CA -0.753 55.257 56.100 -0.152 0.000 0.895 200 R CB 1.667 31.831 30.300 -0.226 0.000 1.195 200 R HN 0.606 nan 8.270 nan 0.000 0.450 201 L N 3.125 124.295 121.223 -0.089 0.000 2.289 201 L HA 0.481 4.821 4.340 0.001 0.000 0.285 201 L C 0.126 176.968 176.870 -0.046 0.000 1.049 201 L CA -0.274 54.538 54.840 -0.047 0.000 0.804 201 L CB 0.976 43.016 42.059 -0.033 0.000 1.195 201 L HN 0.253 nan 8.230 nan 0.000 0.428 202 K N 2.377 122.776 120.400 -0.002 0.000 2.371 202 K HA 0.492 4.812 4.320 0.001 0.000 0.251 202 K C -0.918 175.759 176.600 0.128 0.000 0.934 202 K CA -0.769 55.542 56.287 0.039 0.000 0.798 202 K CB 2.166 34.624 32.500 -0.070 0.000 1.204 202 K HN 0.410 nan 8.250 nan 0.000 0.427 203 S N 1.348 117.121 115.700 0.122 0.000 2.576 203 S HA 0.008 4.479 4.470 0.001 0.000 0.276 203 S C -0.131 174.618 174.600 0.248 0.000 1.339 203 S CA -0.389 57.861 58.200 0.083 0.000 1.039 203 S CB 0.562 63.785 63.200 0.037 0.000 0.902 203 S HN 0.471 nan 8.310 nan 0.000 0.516 204 D N 2.219 122.721 120.400 0.169 0.000 2.371 204 D HA 0.144 4.785 4.640 0.001 0.000 0.256 204 D C -1.352 175.043 176.300 0.159 0.000 1.193 204 D CA -1.883 52.325 54.000 0.346 0.000 0.881 204 D CB 1.116 42.116 40.800 0.333 0.000 1.143 204 D HN 0.133 nan 8.370 nan 0.000 0.473 205 P HA -0.122 nan 4.420 nan 0.000 0.222 205 P C 0.358 177.605 177.300 -0.089 0.000 1.147 205 P CA 0.931 63.972 63.100 -0.098 0.000 0.790 205 P CB 0.019 31.443 31.700 -0.461 0.000 0.780 206 Y N -0.107 120.186 120.300 -0.011 0.000 2.645 206 Y HA 0.405 4.955 4.550 0.001 0.000 0.307 206 Y C 1.108 176.601 175.900 -0.679 0.000 1.151 206 Y CA -0.796 57.086 58.100 -0.365 0.000 1.291 206 Y CB -0.794 37.463 38.460 -0.339 0.000 1.135 206 Y HN -0.132 nan 8.280 nan 0.000 0.523 207 A N -0.028 122.662 122.820 -0.217 0.000 2.515 207 A HA 0.108 4.429 4.320 0.001 0.000 0.263 207 A C 0.273 177.771 177.584 -0.144 0.000 1.096 207 A CA 0.054 51.958 52.037 -0.221 0.000 0.769 207 A CB -0.360 18.602 19.000 -0.064 0.000 1.040 207 A HN 0.478 nan 8.150 nan 0.000 0.505 208 F N 0.785 120.836 119.950 0.168 0.000 2.789 208 F HA 0.250 4.778 4.527 0.001 0.000 0.300 208 F C 1.082 177.026 175.800 0.241 0.000 1.132 208 F CA 0.619 58.752 58.000 0.221 0.000 1.404 208 F CB -0.038 39.098 39.000 0.228 0.000 1.114 208 F HN 0.674 nan 8.300 nan 0.000 0.584 209 E N -0.711 119.663 120.200 0.291 0.000 2.375 209 E HA 0.673 5.024 4.350 0.001 0.000 0.280 209 E C -1.471 175.204 176.600 0.125 0.000 0.972 209 E CA -0.683 55.852 56.400 0.225 0.000 0.782 209 E CB 2.104 31.947 29.700 0.238 0.000 1.229 209 E HN -0.038 nan 8.360 nan 0.000 0.439 210 A N 2.351 125.224 122.820 0.088 0.000 2.437 210 A HA 0.557 4.877 4.320 0.001 0.000 0.292 210 A C -0.799 176.797 177.584 0.020 0.000 1.173 210 A CA -0.651 51.403 52.037 0.028 0.000 0.785 210 A CB 1.475 20.477 19.000 0.003 0.000 1.351 210 A HN 0.602 nan 8.150 nan 0.000 0.431 211 Q N -0.424 119.372 119.800 -0.007 0.000 2.492 211 Q HA 0.384 4.725 4.340 0.001 0.000 0.238 211 Q C -0.673 175.298 176.000 -0.049 0.000 1.045 211 Q CA 0.060 55.853 55.803 -0.016 0.000 0.934 211 Q CB 0.290 29.012 28.738 -0.026 0.000 1.276 211 Q HN 0.631 nan 8.270 nan 0.000 0.521 212 M N 0.598 120.161 119.600 -0.061 0.000 2.699 212 M HA -0.122 4.359 4.480 0.001 0.000 0.215 212 M C -1.342 174.925 176.300 -0.056 0.000 0.591 212 M CA 0.452 55.727 55.300 -0.041 0.000 0.670 212 M CB -1.260 31.335 32.600 -0.009 0.000 2.328 212 M HN 0.670 nan 8.290 nan 0.000 0.779 213 R N 0.352 120.805 120.500 -0.078 0.000 2.652 213 R HA 0.630 4.971 4.340 0.001 0.000 0.272 213 R C -0.438 175.819 176.300 -0.071 0.000 1.162 213 R CA -0.509 55.536 56.100 -0.090 0.000 1.199 213 R CB -0.593 29.632 30.300 -0.126 0.000 1.166 213 R HN 0.238 nan 8.270 nan 0.000 0.597 214 P HA -0.075 nan 4.420 nan 0.000 0.234 214 P C -0.674 176.563 177.300 -0.105 0.000 1.167 214 P CA 0.692 63.733 63.100 -0.099 0.000 0.763 214 P CB 0.131 31.784 31.700 -0.077 0.000 0.835 215 E N 0.574 120.719 120.200 -0.092 0.000 2.492 215 E HA -0.027 4.323 4.350 0.001 0.000 0.266 215 E C 0.919 177.461 176.600 -0.097 0.000 1.187 215 E CA 1.352 57.693 56.400 -0.098 0.000 1.036 215 E CB -0.038 29.607 29.700 -0.092 0.000 0.994 215 E HN 0.257 nan 8.360 nan 0.000 0.468 216 T N -3.996 110.500 114.554 -0.096 0.000 3.192 216 T HA 0.417 4.767 4.350 0.001 0.000 0.295 216 T C 0.441 175.095 174.700 -0.077 0.000 0.947 216 T CA 0.029 62.079 62.100 -0.083 0.000 0.916 216 T CB 0.321 69.145 68.868 -0.074 0.000 1.169 216 T HN 0.541 nan 8.240 nan 0.000 0.540 217 A N 1.636 124.411 122.820 -0.075 0.000 2.386 217 A HA 0.675 4.996 4.320 0.001 0.000 0.246 217 A C 0.397 177.918 177.584 -0.104 0.000 1.089 217 A CA -0.309 51.691 52.037 -0.062 0.000 0.790 217 A CB 0.171 19.207 19.000 0.060 0.000 1.042 217 A HN 0.465 nan 8.150 nan 0.000 0.497 218 S N -0.514 115.032 115.700 -0.258 0.000 2.593 218 S HA 0.605 5.075 4.470 0.001 0.000 0.297 218 S C -0.534 173.968 174.600 -0.162 0.000 1.112 218 S CA -0.447 57.573 58.200 -0.300 0.000 1.043 218 S CB 1.167 64.022 63.200 -0.575 0.000 1.054 218 S HN 0.557 nan 8.310 nan 0.000 0.516 219 L N 2.272 123.526 121.223 0.053 0.000 2.317 219 L HA 0.541 4.881 4.340 0.001 0.000 0.281 219 L C -0.727 176.336 176.870 0.322 0.000 1.024 219 L CA -0.737 54.223 54.840 0.200 0.000 0.810 219 L CB 0.989 43.144 42.059 0.161 0.000 1.240 219 L HN 0.599 nan 8.230 nan 0.000 0.427 220 I N 3.830 124.605 120.570 0.342 0.000 2.517 220 I HA 0.018 4.189 4.170 0.001 0.000 0.285 220 I C 0.691 176.905 176.117 0.162 0.000 1.106 220 I CA 0.073 61.497 61.300 0.206 0.000 1.402 220 I CB 0.437 38.474 38.000 0.062 0.000 1.399 220 I HN 0.887 nan 8.210 nan 0.000 0.535 221 C N 2.523 121.931 119.300 0.179 0.000 4.921 221 C HA 0.545 5.005 4.460 0.001 0.000 0.477 221 C C 0.854 175.937 174.990 0.156 0.000 1.492 221 C CA 0.040 59.162 59.018 0.173 0.000 2.292 221 C CB -0.427 27.439 27.740 0.210 0.000 3.214 221 C HN 1.080 nan 8.230 nan 0.000 0.562 222 G N 1.740 110.669 108.800 0.215 0.000 2.681 222 G HA2 0.089 4.050 3.960 0.001 0.000 0.220 222 G HA3 0.089 4.050 3.960 0.001 0.000 0.220 222 G C -1.136 173.722 174.900 -0.071 0.000 1.353 222 G CA -0.103 45.054 45.100 0.094 0.000 0.872 222 G HN 0.701 nan 8.290 nan 0.000 0.557 223 L N 2.068 123.200 121.223 -0.152 0.000 2.334 223 L HA 0.584 4.924 4.340 0.001 0.000 0.277 223 L C -1.290 175.489 176.870 -0.152 0.000 1.075 223 L CA -1.433 53.268 54.840 -0.231 0.000 0.804 223 L CB 0.572 42.556 42.059 -0.124 0.000 1.174 223 L HN 0.521 nan 8.230 nan 0.000 0.438 224 P HA 0.091 nan 4.420 nan 0.000 0.271 224 P C 0.457 177.634 177.300 -0.204 0.000 1.233 224 P CA -0.375 62.565 63.100 -0.266 0.000 0.789 224 P CB 0.739 32.114 31.700 -0.541 0.000 0.951 225 E N 1.071 121.176 120.200 -0.160 0.000 2.038 225 E HA -0.149 4.202 4.350 0.001 0.000 0.195 225 E C -0.072 176.466 176.600 -0.103 0.000 1.000 225 E CA 1.674 58.011 56.400 -0.104 0.000 0.803 225 E CB -0.198 29.453 29.700 -0.081 0.000 0.750 225 E HN 0.471 nan 8.360 nan 0.000 0.448 226 K N -1.787 118.532 120.400 -0.135 0.000 2.847 226 K HA -0.028 4.292 4.320 0.001 0.000 1.023 226 K C -2.091 174.461 176.600 -0.081 0.000 1.074 226 K CA 0.249 56.475 56.287 -0.101 0.000 0.992 226 K CB -0.805 31.660 32.500 -0.057 0.000 3.427 226 K HN -0.071 nan 8.250 nan 0.000 0.138 227 V N 4.624 124.493 119.914 -0.074 0.000 2.409 227 V HA 0.426 4.546 4.120 0.001 0.000 0.291 227 V C 0.002 176.065 176.094 -0.052 0.000 1.020 227 V CA -0.923 61.342 62.300 -0.058 0.000 0.848 227 V CB 1.763 33.560 31.823 -0.043 0.000 0.990 227 V HN 0.502 nan 8.190 nan 0.000 0.430 228 V N 4.813 124.694 119.914 -0.056 0.000 2.439 228 V HA 0.135 4.255 4.120 0.001 0.000 0.271 228 V C 0.540 176.582 176.094 -0.086 0.000 1.040 228 V CA -0.028 62.234 62.300 -0.062 0.000 1.002 228 V CB 0.967 32.755 31.823 -0.058 0.000 1.000 228 V HN 0.988 nan 8.190 nan 0.000 0.477 229 Q N 3.759 123.503 119.800 -0.094 0.000 2.311 229 Q HA 0.171 4.512 4.340 0.001 0.000 0.272 229 Q C 0.546 176.467 176.000 -0.133 0.000 1.012 229 Q CA -0.337 55.384 55.803 -0.136 0.000 0.891 229 Q CB 0.836 29.498 28.738 -0.126 0.000 1.201 229 Q HN 0.942 nan 8.270 nan 0.000 0.391 230 T N 1.047 115.503 114.554 -0.164 0.000 2.860 230 T HA 0.096 4.447 4.350 0.001 0.000 0.299 230 T C 0.919 175.548 174.700 -0.119 0.000 1.045 230 T CA -0.739 61.282 62.100 -0.132 0.000 1.071 230 T CB 0.921 69.706 68.868 -0.139 0.000 0.985 230 T HN 0.634 nan 8.240 nan 0.000 0.537 231 E N 1.233 121.378 120.200 -0.093 0.000 2.153 231 E HA -0.143 4.208 4.350 0.001 0.000 0.194 231 E C 1.956 178.505 176.600 -0.084 0.000 0.988 231 E CA 1.345 57.696 56.400 -0.082 0.000 0.811 231 E CB -0.117 29.545 29.700 -0.063 0.000 0.746 231 E HN 0.838 nan 8.360 nan 0.000 0.466 232 E N 0.537 120.683 120.200 -0.089 0.000 2.051 232 E HA -0.124 4.226 4.350 0.001 0.000 0.192 232 E C 2.212 178.750 176.600 -0.103 0.000 0.991 232 E CA 0.690 57.038 56.400 -0.086 0.000 0.799 232 E CB -0.087 29.562 29.700 -0.084 0.000 0.748 232 E HN 0.159 nan 8.360 nan 0.000 0.449 233 R N 0.937 121.351 120.500 -0.142 0.000 2.115 233 R HA -0.064 4.276 4.340 0.001 0.000 0.230 233 R C 2.211 178.434 176.300 -0.129 0.000 1.111 233 R CA 0.872 56.871 56.100 -0.168 0.000 0.976 233 R CB -0.105 30.037 30.300 -0.263 0.000 0.870 233 R HN 0.070 nan 8.270 nan 0.000 0.445 234 K N 0.910 121.236 120.400 -0.124 0.000 2.057 234 K HA -0.178 4.142 4.320 0.001 0.000 0.207 234 K C 2.097 178.636 176.600 -0.101 0.000 1.049 234 K CA 1.354 57.567 56.287 -0.123 0.000 0.931 234 K CB -0.056 32.371 32.500 -0.123 0.000 0.714 234 K HN 0.036 nan 8.250 nan 0.000 0.440 235 K N 0.906 121.260 120.400 -0.076 0.000 2.148 235 K HA -0.053 4.268 4.320 0.001 0.000 0.204 235 K C 1.804 178.395 176.600 -0.016 0.000 1.050 235 K CA 1.119 57.377 56.287 -0.048 0.000 0.942 235 K CB -0.016 32.460 32.500 -0.039 0.000 0.724 235 K HN 0.096 nan 8.250 nan 0.000 0.446 236 A N 0.630 123.442 122.820 -0.012 0.000 2.209 236 A HA -0.040 4.280 4.320 0.001 0.000 0.212 236 A C 1.085 178.766 177.584 0.161 0.000 1.158 236 A CA 1.052 53.119 52.037 0.051 0.000 0.742 236 A CB -0.479 18.521 19.000 -0.000 0.000 0.790 236 A HN 0.532 nan 8.150 nan 0.000 0.472 237 N N -0.951 117.799 118.700 0.084 0.000 2.254 237 N HA 0.025 4.766 4.740 0.001 0.000 0.190 237 N C 0.032 175.593 175.510 0.085 0.000 1.107 237 N CA -0.213 52.898 53.050 0.102 0.000 0.869 237 N CB 0.211 38.705 38.487 0.012 0.000 0.983 237 N HN 0.325 nan 8.380 nan 0.000 0.487 238 Q N 0.032 119.844 119.800 0.020 0.000 2.317 238 Q HA 0.148 4.489 4.340 0.001 0.000 0.229 238 Q C 0.809 176.917 176.000 0.180 0.000 0.984 238 Q CA -0.005 55.757 55.803 -0.068 0.000 0.911 238 Q CB 0.438 29.122 28.738 -0.091 0.000 1.217 238 Q HN 0.223 nan 8.270 nan 0.000 0.501 239 F N 0.600 120.749 119.950 0.332 0.000 2.161 239 F HA -0.230 4.297 4.527 0.001 0.000 0.300 239 F C 1.626 177.663 175.800 0.395 0.000 1.089 239 F CA 1.038 59.336 58.000 0.495 0.000 1.282 239 F CB -0.011 39.261 39.000 0.452 0.000 1.010 239 F HN 0.520 nan 8.300 nan 0.000 0.485 240 D N 0.124 120.766 120.400 0.403 0.000 2.328 240 D HA 0.128 4.768 4.640 0.001 0.000 0.226 240 D C 0.526 176.972 176.300 0.244 0.000 1.066 240 D CA 0.230 54.390 54.000 0.267 0.000 0.861 240 D CB -0.531 40.382 40.800 0.188 0.000 0.912 240 D HN 0.122 nan 8.370 nan 0.000 0.521 241 A N 1.399 124.346 122.820 0.212 0.000 2.286 241 A HA 0.555 4.876 4.320 0.001 0.000 0.286 241 A C -2.459 175.109 177.584 -0.028 0.000 1.097 241 A CA -1.473 50.621 52.037 0.095 0.000 0.821 241 A CB 0.496 19.541 19.000 0.075 0.000 1.076 241 A HN 0.023 nan 8.150 nan 0.000 0.490 242 P HA 0.391 nan 4.420 nan 0.000 0.282 242 P C -1.054 176.204 177.300 -0.070 0.000 1.274 242 P CA 0.382 63.122 63.100 -0.600 0.000 0.770 242 P CB 0.540 31.495 31.700 -1.242 0.000 0.867 243 I N 2.149 122.796 120.570 0.128 0.000 2.418 243 I HA 0.290 4.461 4.170 0.001 0.000 0.287 243 I C 0.149 176.310 176.117 0.073 0.000 1.008 243 I CA -0.415 60.909 61.300 0.040 0.000 1.104 243 I CB 1.922 39.801 38.000 -0.201 0.000 1.264 243 I HN 0.237 nan 8.210 nan 0.000 0.438 244 S N 7.389 123.179 115.700 0.151 0.000 2.756 244 S HA 0.632 5.102 4.470 0.001 0.000 0.303 244 S C -0.753 174.059 174.600 0.353 0.000 1.135 244 S CA -0.416 57.876 58.200 0.154 0.000 1.066 244 S CB 0.633 63.983 63.200 0.250 0.000 1.008 244 S HN 0.421 nan 8.310 nan 0.000 0.482 245 I N 4.666 125.362 120.570 0.209 0.000 2.359 245 I HA 0.340 4.511 4.170 0.001 0.000 0.294 245 I C -0.671 175.497 176.117 0.086 0.000 0.987 245 I CA -0.794 60.610 61.300 0.172 0.000 1.225 245 I CB 1.282 39.303 38.000 0.035 0.000 1.366 245 I HN 0.645 nan 8.210 nan 0.000 0.466 246 Y N 6.280 126.384 120.300 -0.328 0.000 2.404 246 Y HA 0.257 4.808 4.550 0.001 0.000 0.344 246 Y C 0.266 176.017 175.900 -0.249 0.000 0.970 246 Y CA -0.470 57.226 58.100 -0.673 0.000 1.180 246 Y CB 0.720 38.501 38.460 -1.132 0.000 1.138 246 Y HN 0.547 nan 8.280 nan 0.000 0.510 247 E N 6.092 126.067 120.200 -0.375 0.000 2.194 247 E HA 0.406 4.757 4.350 0.001 0.000 0.284 247 E C -1.396 174.944 176.600 -0.433 0.000 1.035 247 E CA -0.617 55.675 56.400 -0.179 0.000 0.836 247 E CB 0.976 30.765 29.700 0.148 0.000 1.070 247 E HN 0.548 nan 8.360 nan 0.000 0.401 248 V N 2.385 122.127 119.914 -0.287 0.000 2.709 248 V HA 0.376 4.497 4.120 0.001 0.000 0.308 248 V C -0.779 175.269 176.094 -0.077 0.000 1.062 248 V CA -0.920 61.177 62.300 -0.339 0.000 0.901 248 V CB 1.713 33.291 31.823 -0.407 0.000 1.003 248 V HN 0.768 nan 8.190 nan 0.000 0.425 249 H N 4.847 123.843 119.070 -0.123 0.000 2.594 249 H HA 0.443 5.000 4.556 0.001 0.000 0.304 249 H C 0.335 175.695 175.328 0.052 0.000 1.068 249 H CA -0.514 55.545 56.048 0.018 0.000 1.308 249 H CB 1.854 31.709 29.762 0.154 0.000 1.409 249 H HN 0.853 nan 8.280 nan 0.000 0.460 250 L N 3.608 124.590 121.223 -0.403 0.000 2.265 250 L HA -0.071 4.270 4.340 0.001 0.000 0.215 250 L C 2.300 178.792 176.870 -0.630 0.000 1.117 250 L CA 1.276 55.766 54.840 -0.584 0.000 0.782 250 L CB -0.099 41.434 42.059 -0.877 0.000 0.914 250 L HN 0.743 nan 8.230 nan 0.000 0.441 251 G N -1.346 107.135 108.800 -0.531 0.000 2.777 251 G HA2 -0.087 3.873 3.960 0.001 0.000 0.211 251 G HA3 -0.087 3.873 3.960 0.001 0.000 0.211 251 G C 1.190 176.416 174.900 0.545 0.000 1.149 251 G CA 0.773 45.908 45.100 0.059 0.000 0.785 251 G HN 0.479 nan 8.290 nan 0.000 0.536 252 S N -2.418 113.602 115.700 0.534 0.000 2.893 252 S HA 0.063 4.534 4.470 0.001 0.000 0.258 252 S C 1.119 176.032 174.600 0.521 0.000 1.034 252 S CA -0.345 58.245 58.200 0.650 0.000 1.167 252 S CB -0.403 63.339 63.200 0.903 0.000 1.137 252 S HN 0.374 nan 8.310 nan 0.000 0.650 253 W N 3.122 124.569 121.300 0.245 0.000 2.380 253 W HA 0.297 4.957 4.660 0.001 0.000 0.317 253 W C 0.757 177.511 176.519 0.392 0.000 1.196 253 W CA 1.088 58.568 57.345 0.225 0.000 1.307 253 W CB 0.130 29.655 29.460 0.109 0.000 1.157 253 W HN 0.152 nan 8.180 nan 0.000 0.483 254 R N -0.355 120.262 120.500 0.195 0.000 2.855 254 R HA 0.479 4.819 4.340 0.001 0.000 0.266 254 R C -0.886 175.473 176.300 0.099 0.000 1.034 254 R CA -0.992 55.088 56.100 -0.033 0.000 0.944 254 R CB 1.999 32.031 30.300 -0.447 0.000 1.219 254 R HN -0.300 nan 8.270 nan 0.000 0.474 255 R N 0.199 120.712 120.500 0.022 0.000 2.799 255 R HA 0.296 4.637 4.340 0.001 0.000 0.270 255 R C -1.122 175.145 176.300 -0.055 0.000 1.010 255 R CA -1.045 55.089 56.100 0.056 0.000 0.916 255 R CB 1.308 31.684 30.300 0.127 0.000 1.228 255 R HN 0.662 nan 8.270 nan 0.000 0.469 256 H N 0.548 119.672 119.070 0.091 0.000 2.955 256 H HA 0.014 4.571 4.556 0.001 0.000 0.290 256 H C 1.220 176.538 175.328 -0.018 0.000 1.047 256 H CA 0.748 56.811 56.048 0.025 0.000 1.484 256 H CB 0.926 30.700 29.762 0.020 0.000 1.501 256 H HN 0.639 nan 8.280 nan 0.000 0.521 257 T N -0.088 114.506 114.554 0.066 0.000 2.759 257 T HA -0.241 4.109 4.350 0.001 0.000 0.269 257 T C 1.478 176.172 174.700 -0.010 0.000 1.042 257 T CA 1.381 63.493 62.100 0.020 0.000 1.140 257 T CB 0.019 68.888 68.868 0.002 0.000 0.864 257 T HN 0.697 nan 8.240 nan 0.000 0.455 258 D N 3.034 123.418 120.400 -0.027 0.000 2.103 258 D HA -0.225 4.415 4.640 0.001 0.000 0.190 258 D C 1.784 177.997 176.300 -0.146 0.000 0.997 258 D CA 1.925 55.871 54.000 -0.089 0.000 0.833 258 D CB -0.622 40.106 40.800 -0.120 0.000 0.961 258 D HN 0.819 nan 8.370 nan 0.000 0.447 259 N N -0.836 117.722 118.700 -0.237 0.000 2.171 259 N HA -0.022 4.718 4.740 0.001 0.000 0.212 259 N C 0.169 175.590 175.510 -0.147 0.000 1.184 259 N CA -0.006 52.813 53.050 -0.384 0.000 0.888 259 N CB 0.386 38.221 38.487 -1.087 0.000 1.038 259 N HN -0.067 nan 8.380 nan 0.000 0.517 260 N N -0.343 118.353 118.700 -0.008 0.000 2.850 260 N HA -0.163 4.578 4.740 0.001 0.000 0.249 260 N C -1.219 174.436 175.510 0.241 0.000 1.060 260 N CA 0.319 53.431 53.050 0.103 0.000 0.825 260 N CB -1.502 37.023 38.487 0.064 0.000 1.132 260 N HN 0.191 nan 8.380 nan 0.000 0.564 261 F N 0.403 120.362 119.950 0.013 0.000 2.450 261 F HA 0.278 4.805 4.527 0.001 0.000 0.339 261 F C 1.358 177.258 175.800 0.166 0.000 1.146 261 F CA -0.908 57.096 58.000 0.007 0.000 1.267 261 F CB -0.011 39.039 39.000 0.083 0.000 1.178 261 F HN -0.041 nan 8.300 nan 0.000 0.585 262 W N 3.395 124.917 121.300 0.371 0.000 2.170 262 W HA 0.112 4.773 4.660 0.001 0.000 0.342 262 W C 0.096 176.806 176.519 0.319 0.000 1.294 262 W CA -0.699 56.835 57.345 0.315 0.000 1.246 262 W CB -0.011 29.666 29.460 0.361 0.000 1.156 262 W HN 0.165 nan 8.180 nan 0.000 0.572 263 L N 3.061 124.514 121.223 0.383 0.000 2.439 263 L HA 0.052 4.392 4.340 0.001 0.000 0.269 263 L C 1.169 178.183 176.870 0.239 0.000 1.179 263 L CA -0.147 54.829 54.840 0.227 0.000 0.828 263 L CB 0.103 42.207 42.059 0.075 0.000 1.106 263 L HN 0.397 nan 8.230 nan 0.000 0.467 264 S N 0.826 116.664 115.700 0.229 0.000 2.655 264 S HA 0.144 4.615 4.470 0.001 0.000 0.265 264 S C 0.933 175.555 174.600 0.036 0.000 1.240 264 S CA -0.483 57.803 58.200 0.144 0.000 0.986 264 S CB 0.473 63.784 63.200 0.185 0.000 0.985 264 S HN 0.428 nan 8.310 nan 0.000 0.562 265 Y N 0.684 121.065 120.300 0.135 0.000 2.207 265 Y HA -0.052 4.499 4.550 0.001 0.000 0.287 265 Y C 2.793 178.789 175.900 0.159 0.000 1.156 265 Y CA 1.455 59.575 58.100 0.033 0.000 1.182 265 Y CB -0.530 38.034 38.460 0.174 0.000 0.979 265 Y HN 0.604 nan 8.280 nan 0.000 0.521 266 R N 0.118 120.812 120.500 0.323 0.000 2.066 266 R HA -0.161 4.180 4.340 0.001 0.000 0.232 266 R C 2.080 178.532 176.300 0.254 0.000 1.131 266 R CA 1.683 57.941 56.100 0.263 0.000 0.955 266 R CB -0.364 29.985 30.300 0.082 0.000 0.851 266 R HN 0.442 nan 8.270 nan 0.000 0.432 267 E N 0.646 120.966 120.200 0.201 0.000 2.160 267 E HA -0.190 4.160 4.350 0.001 0.000 0.195 267 E C 1.980 178.693 176.600 0.189 0.000 0.991 267 E CA 1.004 57.514 56.400 0.183 0.000 0.810 267 E CB -0.077 29.730 29.700 0.179 0.000 0.742 267 E HN 0.289 nan 8.360 nan 0.000 0.466 268 L N 0.241 121.566 121.223 0.170 0.000 2.156 268 L HA -0.083 4.258 4.340 0.001 0.000 0.208 268 L C 2.483 179.580 176.870 0.378 0.000 1.095 268 L CA 0.680 55.614 54.840 0.157 0.000 0.770 268 L CB -0.291 41.681 42.059 -0.146 0.000 0.914 268 L HN 0.134 nan 8.230 nan 0.000 0.439 269 A N -0.291 122.833 122.820 0.508 0.000 1.933 269 A HA -0.215 4.106 4.320 0.001 0.000 0.218 269 A C 1.801 179.530 177.584 0.241 0.000 1.175 269 A CA 1.925 54.215 52.037 0.422 0.000 0.628 269 A CB -0.359 18.940 19.000 0.498 0.000 0.814 269 A HN 0.325 nan 8.150 nan 0.000 0.444 270 D N -1.325 119.218 120.400 0.238 0.000 2.348 270 D HA 0.032 4.672 4.640 0.001 0.000 0.211 270 D C 1.932 178.322 176.300 0.150 0.000 0.998 270 D CA 0.830 54.933 54.000 0.173 0.000 0.873 270 D CB 0.185 41.081 40.800 0.161 0.000 0.925 270 D HN 0.675 nan 8.370 nan 0.000 0.524 271 Q N -0.918 118.990 119.800 0.180 0.000 2.586 271 Q HA 0.135 4.476 4.340 0.001 0.000 0.243 271 Q C 1.697 177.845 176.000 0.248 0.000 0.846 271 Q CA -0.197 55.736 55.803 0.218 0.000 0.959 271 Q CB 0.325 29.220 28.738 0.262 0.000 1.227 271 Q HN 0.045 nan 8.270 nan 0.000 0.611 272 L N 0.994 122.240 121.223 0.038 0.000 2.044 272 L HA -0.045 4.296 4.340 0.001 0.000 0.205 272 L C 2.042 178.921 176.870 0.014 0.000 1.075 272 L CA 1.401 56.050 54.840 -0.319 0.000 0.747 272 L CB -0.455 41.203 42.059 -0.669 0.000 0.903 272 L HN -0.015 nan 8.230 nan 0.000 0.435 273 V N 0.788 120.732 119.914 0.050 0.000 2.255 273 V HA -0.195 3.925 4.120 0.001 0.000 0.247 273 V C -0.001 176.141 176.094 0.080 0.000 1.051 273 V CA 2.420 64.725 62.300 0.009 0.000 1.018 273 V CB -1.788 29.979 31.823 -0.093 0.000 0.641 273 V HN 0.360 nan 8.190 nan 0.000 0.445 274 P HA -0.198 nan 4.420 nan 0.000 0.216 274 P C 1.557 178.997 177.300 0.232 0.000 1.150 274 P CA 1.541 64.728 63.100 0.146 0.000 0.837 274 P CB -0.140 31.631 31.700 0.118 0.000 0.786 275 Y N 0.780 121.174 120.300 0.156 0.000 2.145 275 Y HA -0.190 4.360 4.550 0.001 0.000 0.286 275 Y C 2.371 178.406 175.900 0.224 0.000 1.145 275 Y CA 1.958 60.198 58.100 0.233 0.000 1.148 275 Y CB -0.948 37.705 38.460 0.321 0.000 0.981 275 Y HN -0.117 nan 8.280 nan 0.000 0.507 276 A N -0.013 122.911 122.820 0.173 0.000 2.014 276 A HA -0.129 4.192 4.320 0.001 0.000 0.218 276 A C 2.247 179.912 177.584 0.135 0.000 1.163 276 A CA 1.547 53.629 52.037 0.075 0.000 0.652 276 A CB -0.667 18.384 19.000 0.085 0.000 0.808 276 A HN 0.533 nan 8.150 nan 0.000 0.449 277 K N -0.941 119.532 120.400 0.122 0.000 1.984 277 K HA -0.190 4.131 4.320 0.001 0.000 0.209 277 K C 2.013 178.673 176.600 0.100 0.000 1.046 277 K CA 1.478 57.829 56.287 0.107 0.000 0.934 277 K CB -0.415 32.148 32.500 0.105 0.000 0.717 277 K HN 0.696 nan 8.250 nan 0.000 0.438 278 W N 0.972 122.242 121.300 -0.050 0.000 2.304 278 W HA -0.264 4.396 4.660 0.000 0.000 0.315 278 W C 1.441 177.880 176.519 -0.133 0.000 1.233 278 W CA 1.259 58.558 57.345 -0.077 0.000 1.261 278 W CB -0.112 29.310 29.460 -0.063 0.000 1.150 278 W HN 0.181 nan 8.180 nan 0.000 0.494 279 M N 0.506 120.005 119.600 -0.168 0.000 2.632 279 M HA 0.012 4.493 4.480 0.001 0.000 0.256 279 M C 1.833 177.879 176.300 -0.422 0.000 1.080 279 M CA 1.724 56.834 55.300 -0.317 0.000 1.084 279 M CB -1.722 30.733 32.600 -0.241 0.000 1.439 279 M HN 0.332 nan 8.290 nan 0.000 0.509 280 G N 0.217 108.851 108.800 -0.276 0.000 2.141 280 G HA2 -0.250 3.710 3.960 0.001 0.000 0.242 280 G HA3 -0.250 3.710 3.960 0.001 0.000 0.242 280 G C -0.011 174.787 174.900 -0.170 0.000 0.982 280 G CA -0.381 44.579 45.100 -0.234 0.000 0.662 280 G HN 0.389 nan 8.290 nan 0.000 0.527 281 F N 0.854 120.816 119.950 0.020 0.000 2.450 281 F HA 0.425 4.953 4.527 0.001 0.000 0.339 281 F C 2.085 177.945 175.800 0.099 0.000 1.146 281 F CA 0.845 58.906 58.000 0.102 0.000 1.267 281 F CB 0.961 40.031 39.000 0.116 0.000 1.178 281 F HN 0.096 nan 8.300 nan 0.000 0.585 282 T N -2.913 111.849 114.554 0.347 0.000 3.037 282 T HA 0.148 4.499 4.350 0.001 0.000 0.252 282 T C 0.289 175.108 174.700 0.199 0.000 1.073 282 T CA 0.394 62.645 62.100 0.253 0.000 1.091 282 T CB -0.260 68.808 68.868 0.332 0.000 0.935 282 T HN 0.531 nan 8.240 nan 0.000 0.488 283 H N -0.309 118.859 119.070 0.164 0.000 2.806 283 H HA 0.590 5.147 4.556 0.002 0.000 0.367 283 H C -1.763 173.630 175.328 0.109 0.000 1.136 283 H CA -1.055 55.058 56.048 0.109 0.000 1.178 283 H CB 2.410 32.222 29.762 0.083 0.000 1.718 283 H HN 0.026 nan 8.280 nan 0.000 0.540 284 L N 2.391 123.714 121.223 0.167 0.000 2.305 284 L HA 0.228 4.569 4.340 0.001 0.000 0.284 284 L C -0.056 176.883 176.870 0.115 0.000 1.013 284 L CA -0.212 54.696 54.840 0.113 0.000 0.819 284 L CB 1.427 43.517 42.059 0.052 0.000 1.227 284 L HN 0.645 nan 8.230 nan 0.000 0.417 285 E N 5.327 125.584 120.200 0.095 0.000 2.133 285 E HA 0.442 4.792 4.350 0.001 0.000 0.274 285 E C -1.485 175.160 176.600 0.076 0.000 0.930 285 E CA -0.610 55.859 56.400 0.114 0.000 0.770 285 E CB 0.896 30.695 29.700 0.164 0.000 1.104 285 E HN 0.609 nan 8.360 nan 0.000 0.403 286 L N 4.944 126.215 121.223 0.081 0.000 2.276 286 L HA 0.305 4.645 4.340 0.001 0.000 0.286 286 L C -0.007 176.882 176.870 0.032 0.000 1.061 286 L CA -1.014 53.855 54.840 0.049 0.000 0.807 286 L CB 0.565 42.668 42.059 0.073 0.000 1.177 286 L HN 0.518 nan 8.230 nan 0.000 0.429 287 L N 5.041 126.278 121.223 0.023 0.000 2.516 287 L HA 0.064 4.404 4.340 0.001 0.000 0.288 287 L C -1.886 174.912 176.870 -0.121 0.000 1.246 287 L CA -0.581 54.238 54.840 -0.035 0.000 0.844 287 L CB -0.467 41.596 42.059 0.008 0.000 1.106 287 L HN 0.386 nan 8.230 nan 0.000 0.509 288 P HA -0.061 nan 4.420 nan 0.000 0.262 288 P C 0.039 177.219 177.300 -0.200 0.000 1.182 288 P CA 0.216 63.148 63.100 -0.279 0.000 0.761 288 P CB 0.243 31.693 31.700 -0.416 0.000 0.795 289 I N -0.216 120.210 120.570 -0.241 0.000 3.976 289 I HA 0.198 4.369 4.170 0.001 0.000 0.337 289 I C 0.169 176.175 176.117 -0.185 0.000 1.359 289 I CA -1.048 60.132 61.300 -0.201 0.000 1.098 289 I CB -1.682 36.121 38.000 -0.327 0.000 1.027 289 I HN 0.052 nan 8.210 nan 0.000 0.394 290 N N 1.837 120.458 118.700 -0.133 0.000 2.407 290 N HA -0.060 4.681 4.740 0.001 0.000 0.250 290 N C 0.114 175.708 175.510 0.139 0.000 1.236 290 N CA 0.063 53.148 53.050 0.060 0.000 0.879 290 N CB 0.380 38.937 38.487 0.117 0.000 1.088 290 N HN 0.367 nan 8.380 nan 0.000 0.450 291 E N 0.718 120.987 120.200 0.116 0.000 2.413 291 E HA 0.026 4.377 4.350 0.001 0.000 0.263 291 E C -0.573 176.090 176.600 0.106 0.000 1.015 291 E CA 0.168 56.597 56.400 0.047 0.000 0.916 291 E CB 0.204 29.905 29.700 0.001 0.000 0.947 291 E HN 0.757 nan 8.360 nan 0.000 0.440 292 H N 2.818 121.835 119.070 -0.089 0.000 3.085 292 H HA 0.243 4.800 4.556 0.001 0.000 0.356 292 H C -2.621 172.621 175.328 -0.143 0.000 1.178 292 H CA -1.864 54.133 56.048 -0.086 0.000 1.214 292 H CB 1.449 31.185 29.762 -0.043 0.000 1.881 292 H HN 0.374 nan 8.280 nan 0.000 0.538 293 P HA 0.142 nan 4.420 nan 0.000 0.235 293 P C -0.309 176.635 177.300 -0.594 0.000 1.177 293 P CA 0.355 63.158 63.100 -0.495 0.000 0.785 293 P CB 0.476 31.764 31.700 -0.686 0.000 0.885 294 F N 0.585 120.590 119.950 0.091 0.000 2.460 294 F HA 0.253 4.780 4.527 0.001 0.000 0.341 294 F C 1.190 177.121 175.800 0.217 0.000 1.130 294 F CA -0.930 57.138 58.000 0.113 0.000 0.962 294 F CB 1.387 40.420 39.000 0.055 0.000 1.171 294 F HN -0.351 nan 8.300 nan 0.000 0.436 295 D N 2.440 123.094 120.400 0.423 0.000 2.158 295 D HA -0.160 4.480 4.640 0.001 0.000 0.197 295 D C 2.253 178.765 176.300 0.353 0.000 0.995 295 D CA 1.445 55.742 54.000 0.495 0.000 0.846 295 D CB -0.234 40.928 40.800 0.604 0.000 0.941 295 D HN 0.792 nan 8.370 nan 0.000 0.456 296 G N 0.196 109.078 108.800 0.138 0.000 2.679 296 G HA2 -0.164 3.797 3.960 0.001 0.000 0.212 296 G HA3 -0.164 3.797 3.960 0.001 0.000 0.212 296 G C 1.504 176.092 174.900 -0.520 0.000 1.137 296 G CA 0.905 45.789 45.100 -0.361 0.000 0.787 296 G HN 0.394 nan 8.290 nan 0.000 0.534 297 S N -0.937 114.651 115.700 -0.186 0.000 2.562 297 S HA -0.028 4.443 4.470 0.001 0.000 0.221 297 S C 1.258 175.791 174.600 -0.112 0.000 0.975 297 S CA 0.762 58.822 58.200 -0.234 0.000 0.918 297 S CB -0.483 62.705 63.200 -0.021 0.000 0.772 297 S HN 0.570 nan 8.310 nan 0.000 0.531 298 W N 0.015 121.310 121.300 -0.008 0.000 2.902 298 W HA -0.236 4.424 4.660 0.001 0.000 0.278 298 W C 1.339 177.724 176.519 -0.224 0.000 1.066 298 W CA 0.507 57.863 57.345 0.018 0.000 0.570 298 W CB -2.319 27.223 29.460 0.136 0.000 2.092 298 W HN 1.000 nan 8.180 nan 0.000 1.423 299 G N -2.246 106.286 108.800 -0.446 0.000 2.232 299 G HA2 -0.386 3.574 3.960 0.001 0.000 0.226 299 G HA3 -0.386 3.574 3.960 0.001 0.000 0.226 299 G C 0.522 175.062 174.900 -0.600 0.000 0.996 299 G CA 0.218 44.713 45.100 -1.008 0.000 0.626 299 G HN 0.372 nan 8.290 nan 0.000 0.509 300 Y N 1.224 121.418 120.300 -0.177 0.000 2.632 300 Y HA 0.278 4.829 4.550 0.001 0.000 0.301 300 Y C 1.819 177.568 175.900 -0.252 0.000 1.172 300 Y CA 1.353 59.328 58.100 -0.208 0.000 1.328 300 Y CB 0.385 38.679 38.460 -0.276 0.000 1.016 300 Y HN 0.341 nan 8.280 nan 0.000 0.529 301 Q N 1.580 121.339 119.800 -0.068 0.000 2.607 301 Q HA 0.243 4.584 4.340 0.001 0.000 0.247 301 Q C -2.578 173.445 176.000 0.040 0.000 1.033 301 Q CA -2.279 53.523 55.803 -0.000 0.000 0.769 301 Q CB 1.218 29.970 28.738 0.024 0.000 1.169 301 Q HN 0.038 nan 8.270 nan 0.000 0.508 302 P HA 0.058 nan 4.420 nan 0.000 0.274 302 P C 0.281 177.601 177.300 0.034 0.000 1.246 302 P CA -0.063 63.071 63.100 0.056 0.000 0.795 302 P CB 1.256 32.988 31.700 0.052 0.000 1.006 303 T N -3.726 110.849 114.554 0.034 0.000 2.969 303 T HA 0.365 4.716 4.350 0.001 0.000 0.258 303 T C 0.758 175.467 174.700 0.015 0.000 0.962 303 T CA -0.014 62.086 62.100 0.000 0.000 0.903 303 T CB -0.060 68.798 68.868 -0.016 0.000 1.177 303 T HN 0.564 nan 8.240 nan 0.000 0.511 304 G N 1.537 110.369 108.800 0.052 0.000 2.824 304 G HA2 0.512 4.473 3.960 0.001 0.000 0.288 304 G HA3 0.512 4.473 3.960 0.001 0.000 0.288 304 G C 0.269 175.248 174.900 0.131 0.000 1.554 304 G CA -0.494 44.659 45.100 0.087 0.000 1.107 304 G HN 0.063 nan 8.290 nan 0.000 0.566 305 L N 1.073 122.370 121.223 0.122 0.000 2.187 305 L HA -0.025 4.316 4.340 0.001 0.000 0.213 305 L C 1.716 178.597 176.870 0.019 0.000 1.100 305 L CA 1.612 56.483 54.840 0.052 0.000 0.765 305 L CB -0.866 41.088 42.059 -0.175 0.000 0.904 305 L HN 0.668 nan 8.230 nan 0.000 0.437 306 Y N -1.149 119.139 120.300 -0.020 0.000 2.458 306 Y HA 0.401 4.951 4.550 0.001 0.000 0.256 306 Y C 1.035 176.974 175.900 0.065 0.000 1.159 306 Y CA -0.121 57.838 58.100 -0.236 0.000 1.261 306 Y CB 0.282 38.543 38.460 -0.332 0.000 1.119 306 Y HN 0.021 nan 8.280 nan 0.000 0.524 307 A N 1.365 124.368 122.820 0.306 0.000 2.287 307 A HA 0.567 4.888 4.320 0.001 0.000 0.317 307 A C -2.769 174.979 177.584 0.273 0.000 1.220 307 A CA -1.905 50.313 52.037 0.302 0.000 0.835 307 A CB 0.320 19.440 19.000 0.201 0.000 1.180 307 A HN -0.124 nan 8.150 nan 0.000 0.500 308 P HA 0.109 nan 4.420 nan 0.000 0.271 308 P C 0.444 177.763 177.300 0.032 0.000 1.216 308 P CA 0.231 63.322 63.100 -0.016 0.000 0.771 308 P CB 0.502 32.047 31.700 -0.259 0.000 0.864 309 T N 2.963 117.501 114.554 -0.027 0.000 2.933 309 T HA -0.081 4.269 4.350 0.001 0.000 0.306 309 T C 1.407 176.040 174.700 -0.112 0.000 1.045 309 T CA 0.047 62.071 62.100 -0.127 0.000 1.143 309 T CB -0.086 68.596 68.868 -0.309 0.000 1.003 309 T HN 0.219 nan 8.240 nan 0.000 0.540 310 R N 3.121 123.525 120.500 -0.160 0.000 2.307 310 R HA 0.132 4.472 4.340 0.001 0.000 0.199 310 R C 2.308 178.420 176.300 -0.313 0.000 1.000 310 R CA 0.708 56.739 56.100 -0.115 0.000 1.023 310 R CB -0.430 29.832 30.300 -0.064 0.000 0.908 310 R HN 0.718 nan 8.270 nan 0.000 0.473 311 R N -0.920 119.177 120.500 -0.672 0.000 2.119 311 R HA -0.164 4.176 4.340 0.001 0.000 0.246 311 R C 0.994 176.708 176.300 -0.976 0.000 1.146 311 R CA 2.040 57.473 56.100 -1.113 0.000 0.962 311 R CB -0.186 28.799 30.300 -2.192 0.000 0.863 311 R HN 0.209 nan 8.270 nan 0.000 0.442 312 F N -1.010 118.619 119.950 -0.536 0.000 2.661 312 F HA 0.404 4.932 4.527 0.001 0.000 0.306 312 F C 0.946 176.480 175.800 -0.443 0.000 1.094 312 F CA 0.009 57.618 58.000 -0.651 0.000 1.254 312 F CB 1.237 39.497 39.000 -1.233 0.000 1.040 312 F HN 0.142 nan 8.300 nan 0.000 0.562 313 G N 0.419 109.204 108.800 -0.025 0.000 2.315 313 G HA2 0.169 4.130 3.960 0.001 0.000 0.296 313 G HA3 0.169 4.130 3.960 0.001 0.000 0.296 313 G C -0.492 174.620 174.900 0.352 0.000 1.289 313 G CA -0.629 44.608 45.100 0.230 0.000 0.996 313 G HN 0.191 nan 8.290 nan 0.000 0.487 314 T N -2.031 112.726 114.554 0.338 0.000 2.770 314 T HA 0.504 4.854 4.350 0.001 0.000 0.281 314 T C 1.792 176.709 174.700 0.362 0.000 0.981 314 T CA 0.833 63.110 62.100 0.295 0.000 0.955 314 T CB 1.170 70.173 68.868 0.225 0.000 1.060 314 T HN 1.352 nan 8.240 nan 0.000 0.531 315 R N 0.249 120.953 120.500 0.341 0.000 2.115 315 R HA -0.007 4.334 4.340 0.001 0.000 0.230 315 R C 1.411 177.977 176.300 0.443 0.000 1.111 315 R CA 1.594 57.963 56.100 0.449 0.000 0.976 315 R CB -0.960 29.652 30.300 0.520 0.000 0.870 315 R HN 0.588 nan 8.270 nan 0.000 0.445 316 D N 0.919 121.498 120.400 0.299 0.000 2.183 316 D HA -0.104 4.536 4.640 0.001 0.000 0.203 316 D C 0.985 177.431 176.300 0.244 0.000 0.969 316 D CA 1.103 55.236 54.000 0.222 0.000 0.842 316 D CB -0.239 40.656 40.800 0.159 0.000 0.957 316 D HN 0.280 nan 8.370 nan 0.000 0.484 317 D N 0.125 120.693 120.400 0.280 0.000 2.117 317 D HA -0.154 4.487 4.640 0.001 0.000 0.197 317 D C 1.828 178.298 176.300 0.284 0.000 0.987 317 D CA 0.474 54.670 54.000 0.327 0.000 0.829 317 D CB -0.429 40.647 40.800 0.460 0.000 0.961 317 D HN 0.218 nan 8.370 nan 0.000 0.460 318 F N 1.789 121.641 119.950 -0.164 0.000 2.234 318 F HA -0.100 4.428 4.527 0.002 0.000 0.299 318 F C 2.276 178.115 175.800 0.065 0.000 1.087 318 F CA 0.947 58.627 58.000 -0.533 0.000 1.340 318 F CB -0.023 38.498 39.000 -0.800 0.000 1.031 318 F HN -0.232 nan 8.300 nan 0.000 0.500 319 R N -0.506 120.054 120.500 0.099 0.000 2.092 319 R HA -0.220 4.120 4.340 0.001 0.000 0.231 319 R C 2.153 178.429 176.300 -0.040 0.000 1.119 319 R CA 1.953 58.047 56.100 -0.009 0.000 0.970 319 R CB -1.517 28.795 30.300 0.020 0.000 0.864 319 R HN 0.490 nan 8.270 nan 0.000 0.440 320 Y N -0.150 120.138 120.300 -0.020 0.000 2.200 320 Y HA -0.170 4.380 4.550 -0.000 0.000 0.290 320 Y C 1.777 177.670 175.900 -0.012 0.000 1.137 320 Y CA 1.919 60.020 58.100 0.002 0.000 1.163 320 Y CB -0.510 37.996 38.460 0.077 0.000 0.988 320 Y HN 0.163 nan 8.280 nan 0.000 0.518 321 F N 0.399 120.358 119.950 0.014 0.000 2.069 321 F HA -0.301 4.227 4.527 0.001 0.000 0.298 321 F C 2.010 177.620 175.800 -0.317 0.000 1.113 321 F CA 1.883 59.827 58.000 -0.095 0.000 1.214 321 F CB -0.373 38.624 39.000 -0.006 0.000 0.978 321 F HN -0.001 nan 8.300 nan 0.000 0.474 322 I N 0.771 121.012 120.570 -0.548 0.000 2.127 322 I HA -0.316 3.855 4.170 0.001 0.000 0.241 322 I C 2.093 177.743 176.117 -0.779 0.000 1.075 322 I CA 1.622 62.473 61.300 -0.747 0.000 1.334 322 I CB -1.674 35.944 38.000 -0.637 0.000 1.040 322 I HN 0.195 nan 8.210 nan 0.000 0.405 323 D N 1.311 121.393 120.400 -0.530 0.000 2.157 323 D HA -0.208 4.432 4.640 0.001 0.000 0.191 323 D C 2.241 178.289 176.300 -0.420 0.000 1.004 323 D CA 1.979 55.737 54.000 -0.402 0.000 0.854 323 D CB -0.199 40.411 40.800 -0.317 0.000 0.936 323 D HN 0.391 nan 8.370 nan 0.000 0.446 324 A N 0.938 123.444 122.820 -0.524 0.000 1.902 324 A HA -0.039 4.281 4.320 0.001 0.000 0.217 324 A C 2.352 179.714 177.584 -0.370 0.000 1.181 324 A CA 2.424 54.201 52.037 -0.433 0.000 0.623 324 A CB -0.770 17.980 19.000 -0.417 0.000 0.818 324 A HN 0.255 nan 8.150 nan 0.000 0.443 325 A N -0.417 122.085 122.820 -0.529 0.000 1.883 325 A HA -0.233 4.087 4.320 0.001 0.000 0.217 325 A C 1.922 179.370 177.584 -0.227 0.000 1.186 325 A CA 1.836 53.611 52.037 -0.437 0.000 0.624 325 A CB -1.162 17.480 19.000 -0.597 0.000 0.822 325 A HN 0.769 nan 8.150 nan 0.000 0.444 326 H N -0.832 118.091 119.070 -0.245 0.000 2.387 326 H HA -0.011 4.545 4.556 0.000 0.000 0.299 326 H C 2.392 177.629 175.328 -0.153 0.000 1.090 326 H CA 0.717 56.654 56.048 -0.185 0.000 1.332 326 H CB -0.019 29.639 29.762 -0.172 0.000 1.386 326 H HN 0.570 nan 8.280 nan 0.000 0.516 327 A N 0.883 123.672 122.820 -0.052 0.000 2.067 327 A HA 0.049 4.370 4.320 0.001 0.000 0.219 327 A C 2.249 179.802 177.584 -0.053 0.000 1.158 327 A CA 1.112 53.112 52.037 -0.063 0.000 0.661 327 A CB -0.355 18.584 19.000 -0.101 0.000 0.801 327 A HN 0.453 nan 8.150 nan 0.000 0.452 328 A N -1.651 121.132 122.820 -0.062 0.000 2.307 328 A HA 0.447 4.767 4.320 0.001 0.000 0.218 328 A C 1.589 179.158 177.584 -0.026 0.000 1.228 328 A CA 0.939 52.954 52.037 -0.037 0.000 0.857 328 A CB -0.864 18.113 19.000 -0.038 0.000 0.897 328 A HN 1.778 nan 8.150 nan 0.000 0.495 329 G N -0.668 108.113 108.800 -0.033 0.000 2.176 329 G HA2 -0.216 3.745 3.960 0.001 0.000 0.252 329 G HA3 -0.216 3.745 3.960 0.001 0.000 0.252 329 G C -0.057 174.815 174.900 -0.045 0.000 1.024 329 G CA 0.505 45.582 45.100 -0.038 0.000 0.755 329 G HN 0.470 nan 8.290 nan 0.000 0.507 330 L N -0.223 120.972 121.223 -0.047 0.000 2.334 330 L HA 0.447 4.788 4.340 0.001 0.000 0.275 330 L C 0.748 177.556 176.870 -0.103 0.000 1.036 330 L CA -0.930 53.867 54.840 -0.072 0.000 0.807 330 L CB 1.189 43.216 42.059 -0.054 0.000 1.231 330 L HN 0.146 nan 8.230 nan 0.000 0.438 331 N N 0.258 118.785 118.700 -0.289 0.000 2.509 331 N HA 0.419 5.159 4.740 0.001 0.000 0.287 331 N C -1.228 174.199 175.510 -0.138 0.000 1.121 331 N CA -0.592 52.270 53.050 -0.313 0.000 0.977 331 N CB 2.206 40.229 38.487 -0.773 0.000 1.167 331 N HN 0.163 nan 8.380 nan 0.000 0.476 332 V N 3.451 123.363 119.914 -0.004 0.000 2.384 332 V HA 0.389 4.509 4.120 0.001 0.000 0.287 332 V C 0.123 176.276 176.094 0.099 0.000 1.020 332 V CA -0.601 61.718 62.300 0.032 0.000 0.850 332 V CB 1.063 32.865 31.823 -0.034 0.000 0.987 332 V HN 0.511 nan 8.190 nan 0.000 0.436 333 I N 5.641 126.296 120.570 0.142 0.000 2.353 333 I HA 0.396 4.567 4.170 0.001 0.000 0.293 333 I C -0.563 175.619 176.117 0.109 0.000 0.992 333 I CA -0.620 60.769 61.300 0.149 0.000 1.268 333 I CB 1.610 39.725 38.000 0.193 0.000 1.387 333 I HN 0.379 nan 8.210 nan 0.000 0.478 334 L N 6.014 127.282 121.223 0.074 0.000 2.313 334 L HA 0.458 4.798 4.340 0.001 0.000 0.283 334 L C -0.623 176.288 176.870 0.067 0.000 1.013 334 L CA -0.277 54.570 54.840 0.011 0.000 0.816 334 L CB 1.094 43.074 42.059 -0.131 0.000 1.236 334 L HN 0.381 nan 8.230 nan 0.000 0.419 335 D N 4.397 124.838 120.400 0.070 0.000 2.382 335 D HA 0.068 4.709 4.640 0.001 0.000 0.259 335 D C -1.039 175.357 176.300 0.161 0.000 1.224 335 D CA 0.614 54.696 54.000 0.136 0.000 0.894 335 D CB 0.119 40.987 40.800 0.113 0.000 1.127 335 D HN 0.480 nan 8.370 nan 0.000 0.487 336 W N 3.523 124.845 121.300 0.036 0.000 2.570 336 W HA 0.438 5.099 4.660 0.001 0.000 0.337 336 W C -0.482 176.121 176.519 0.140 0.000 1.067 336 W CA -1.204 56.169 57.345 0.046 0.000 1.229 336 W CB 1.167 30.681 29.460 0.090 0.000 1.355 336 W HN 0.114 nan 8.180 nan 0.000 0.555 337 V N 4.961 124.716 119.914 -0.265 0.000 2.454 337 V HA 0.381 4.501 4.120 0.001 0.000 0.255 337 V C -1.877 174.010 176.094 -0.345 0.000 1.009 337 V CA -1.296 60.925 62.300 -0.133 0.000 1.149 337 V CB 0.539 32.432 31.823 0.116 0.000 1.418 337 V HN 0.562 nan 8.190 nan 0.000 0.567 338 P HA 0.176 nan 4.420 nan 0.000 0.245 338 P C 1.135 178.419 177.300 -0.026 0.000 1.212 338 P CA 1.086 63.868 63.100 -0.530 0.000 0.774 338 P CB 0.415 31.644 31.700 -0.785 0.000 0.999 339 G N -1.411 107.376 108.800 -0.022 0.000 3.159 339 G HA2 0.050 4.010 3.960 0.001 0.000 0.232 339 G HA3 0.050 4.010 3.960 0.001 0.000 0.232 339 G C -0.350 174.458 174.900 -0.154 0.000 1.116 339 G CA -0.044 45.056 45.100 0.001 0.000 0.767 339 G HN 0.335 nan 8.290 nan 0.000 0.547 340 H N -0.384 118.820 119.070 0.223 0.000 2.786 340 H HA 0.328 4.884 4.556 0.001 0.000 0.284 340 H C -0.934 174.480 175.328 0.142 0.000 1.104 340 H CA -0.924 55.227 56.048 0.170 0.000 1.339 340 H CB 1.008 30.849 29.762 0.133 0.000 1.427 340 H HN 0.091 nan 8.280 nan 0.000 0.497 341 F N 4.115 124.042 119.950 -0.038 0.000 2.629 341 F HA 0.072 4.600 4.527 0.001 0.000 0.377 341 F C -1.872 173.853 175.800 -0.125 0.000 1.101 341 F CA -1.610 56.170 58.000 -0.367 0.000 1.301 341 F CB 0.628 39.321 39.000 -0.512 0.000 1.062 341 F HN 0.353 nan 8.300 nan 0.000 0.583 342 P HA 0.082 nan 4.420 nan 0.000 0.271 342 P C 0.035 177.340 177.300 0.008 0.000 1.233 342 P CA 0.198 63.175 63.100 -0.205 0.000 0.764 342 P CB 0.649 32.158 31.700 -0.317 0.000 0.825 343 T N -1.692 112.895 114.554 0.055 0.000 3.085 343 T HA 0.194 4.544 4.350 0.001 0.000 0.264 343 T C 0.164 174.860 174.700 -0.007 0.000 1.019 343 T CA -0.124 62.007 62.100 0.053 0.000 0.910 343 T CB -0.061 68.836 68.868 0.048 0.000 1.059 343 T HN 0.149 nan 8.240 nan 0.000 0.542 344 D N 2.190 122.598 120.400 0.013 0.000 2.248 344 D HA 0.290 4.930 4.640 0.001 0.000 0.246 344 D C -0.604 175.697 176.300 0.001 0.000 1.027 344 D CA -0.264 53.751 54.000 0.025 0.000 0.853 344 D CB 1.538 42.395 40.800 0.095 0.000 1.243 344 D HN 0.083 nan 8.370 nan 0.000 0.462 345 D N 1.199 121.597 120.400 -0.004 0.000 2.751 345 D HA -0.246 4.394 4.640 0.001 0.000 0.233 345 D C 0.296 176.671 176.300 0.125 0.000 1.149 345 D CA 0.411 54.428 54.000 0.029 0.000 0.682 345 D CB -1.683 39.119 40.800 0.003 0.000 1.068 345 D HN 0.447 nan 8.370 nan 0.000 0.429 346 F N -1.858 118.108 119.950 0.027 0.000 3.021 346 F HA -0.336 4.191 4.527 0.001 0.000 0.256 346 F C 1.948 177.772 175.800 0.040 0.000 0.976 346 F CA 0.597 58.618 58.000 0.034 0.000 0.861 346 F CB -1.519 37.489 39.000 0.014 0.000 0.778 346 F HN 0.340 nan 8.300 nan 0.000 0.765 347 A N -0.844 122.081 122.820 0.176 0.000 1.883 347 A HA -0.033 4.287 4.320 0.001 0.000 0.217 347 A C 2.031 179.692 177.584 0.129 0.000 1.186 347 A CA 2.189 54.291 52.037 0.109 0.000 0.624 347 A CB -0.209 18.801 19.000 0.016 0.000 0.822 347 A HN 0.457 nan 8.150 nan 0.000 0.444 348 L N -2.991 118.284 121.223 0.085 0.000 2.953 348 L HA 0.484 4.825 4.340 0.001 0.000 0.258 348 L C 1.201 178.256 176.870 0.309 0.000 1.100 348 L CA 0.856 55.702 54.840 0.010 0.000 0.971 348 L CB -0.139 41.615 42.059 -0.508 0.000 1.474 348 L HN 0.283 nan 8.230 nan 0.000 0.540 349 A N 0.498 123.584 122.820 0.443 0.000 2.561 349 A HA 0.131 4.452 4.320 0.001 0.000 0.234 349 A C 0.696 178.507 177.584 0.378 0.000 1.055 349 A CA 0.569 52.917 52.037 0.518 0.000 0.756 349 A CB -0.360 18.926 19.000 0.477 0.000 0.986 349 A HN 0.477 nan 8.150 nan 0.000 0.505 350 E N 0.454 120.814 120.200 0.267 0.000 2.494 350 E HA -0.304 4.046 4.350 0.001 0.000 0.249 350 E C 0.263 176.923 176.600 0.101 0.000 1.184 350 E CA 0.750 57.228 56.400 0.131 0.000 0.727 350 E CB -1.767 27.955 29.700 0.037 0.000 1.281 350 E HN 0.793 nan 8.360 nan 0.000 0.405 351 F N 2.471 122.475 119.950 0.090 0.000 2.085 351 F HA -0.260 4.268 4.527 0.001 0.000 0.299 351 F C 1.986 177.765 175.800 -0.034 0.000 1.096 351 F CA 2.520 60.555 58.000 0.058 0.000 1.227 351 F CB 0.160 39.272 39.000 0.187 0.000 0.983 351 F HN 0.176 nan 8.300 nan 0.000 0.482 352 D N -1.590 118.790 120.400 -0.033 0.000 2.463 352 D HA 0.253 4.894 4.640 0.001 0.000 0.224 352 D C 1.553 177.773 176.300 -0.134 0.000 1.174 352 D CA 0.613 54.522 54.000 -0.151 0.000 0.829 352 D CB -0.047 40.706 40.800 -0.077 0.000 0.993 352 D HN 0.465 nan 8.370 nan 0.000 0.497 353 G N -0.025 108.697 108.800 -0.130 0.000 2.234 353 G HA2 -0.261 3.699 3.960 0.001 0.000 0.235 353 G HA3 -0.261 3.699 3.960 0.001 0.000 0.235 353 G C 0.529 175.392 174.900 -0.062 0.000 0.997 353 G CA 0.428 45.461 45.100 -0.111 0.000 0.623 353 G HN 0.849 nan 8.290 nan 0.000 0.514 354 T N -1.685 112.844 114.554 -0.041 0.000 2.919 354 T HA 0.569 4.919 4.350 0.001 0.000 0.282 354 T C 0.103 174.810 174.700 0.011 0.000 1.020 354 T CA -0.013 62.075 62.100 -0.019 0.000 0.994 354 T CB 1.290 70.140 68.868 -0.029 0.000 1.180 354 T HN 0.160 nan 8.240 nan 0.000 0.566 355 N N 1.406 120.116 118.700 0.015 0.000 2.819 355 N HA 0.208 4.948 4.740 0.001 0.000 0.284 355 N C 1.024 176.550 175.510 0.027 0.000 1.196 355 N CA -0.232 52.837 53.050 0.031 0.000 1.114 355 N CB 0.096 38.590 38.487 0.013 0.000 1.437 355 N HN 0.423 nan 8.380 nan 0.000 0.518 356 L N 0.544 121.800 121.223 0.055 0.000 2.023 356 L HA -0.123 4.217 4.340 0.001 0.000 0.205 356 L C 0.822 177.680 176.870 -0.019 0.000 1.073 356 L CA 1.596 56.399 54.840 -0.062 0.000 0.745 356 L CB -0.008 41.980 42.059 -0.118 0.000 0.900 356 L HN 0.559 nan 8.230 nan 0.000 0.435 357 Y N -0.507 119.885 120.300 0.153 0.000 2.522 357 Y HA 0.033 4.584 4.550 0.001 0.000 0.277 357 Y C 1.308 177.326 175.900 0.198 0.000 1.104 357 Y CA -0.303 57.949 58.100 0.252 0.000 1.260 357 Y CB 0.458 39.094 38.460 0.293 0.000 1.151 357 Y HN 0.202 nan 8.280 nan 0.000 0.539 358 E N 0.318 120.581 120.200 0.105 0.000 2.222 358 E HA 0.124 4.475 4.350 0.001 0.000 0.272 358 E C -1.345 175.114 176.600 -0.236 0.000 0.982 358 E CA -0.625 55.521 56.400 -0.423 0.000 0.842 358 E CB 0.718 29.749 29.700 -1.114 0.000 1.144 358 E HN 0.331 nan 8.360 nan 0.000 0.397 359 H N 0.739 119.675 119.070 -0.224 0.000 2.848 359 H HA 0.077 4.633 4.556 0.001 0.000 0.341 359 H C 0.598 175.847 175.328 -0.132 0.000 1.060 359 H CA 0.352 56.326 56.048 -0.123 0.000 1.444 359 H CB 0.874 30.584 29.762 -0.088 0.000 1.446 359 H HN 0.636 nan 8.280 nan 0.000 0.583 374 I N -1.899 118.428 120.570 -0.406 0.000 2.894 374 I HA 0.520 4.691 4.170 0.001 0.000 0.302 374 I C -1.272 174.592 176.117 -0.422 0.000 1.188 374 I CA -0.855 60.283 61.300 -0.270 0.000 1.014 374 I CB 2.459 40.450 38.000 -0.016 0.000 1.242 374 I HN 0.698 nan 8.210 nan 0.000 0.430 375 Y N 2.371 122.517 120.300 -0.258 0.000 2.597 375 Y HA -0.002 4.549 4.550 0.001 0.000 0.336 375 Y C 1.156 176.665 175.900 -0.653 0.000 1.216 375 Y CA 0.417 58.263 58.100 -0.424 0.000 1.463 375 Y CB 0.220 38.156 38.460 -0.873 0.000 1.303 375 Y HN 0.567 nan 8.280 nan 0.000 0.576 376 N N 3.270 121.764 118.700 -0.343 0.000 3.050 376 N HA -0.016 4.725 4.740 0.001 0.000 0.289 376 N C 0.268 175.609 175.510 -0.282 0.000 1.209 376 N CA 0.262 52.957 53.050 -0.591 0.000 1.154 376 N CB -0.563 37.596 38.487 -0.546 0.000 1.444 376 N HN 0.593 nan 8.380 nan 0.000 0.529 377 Y N 0.046 120.295 120.300 -0.085 0.000 2.228 377 Y HA -0.208 4.342 4.550 0.001 0.000 0.285 377 Y C 2.297 178.200 175.900 0.005 0.000 1.178 377 Y CA 1.340 59.360 58.100 -0.133 0.000 1.202 377 Y CB -0.049 38.318 38.460 -0.155 0.000 0.974 377 Y HN 0.468 nan 8.280 nan 0.000 0.527 378 G N -0.205 108.695 108.800 0.166 0.000 2.511 378 G HA2 -0.144 3.816 3.960 0.001 0.000 0.217 378 G HA3 -0.144 3.816 3.960 0.001 0.000 0.217 378 G C 0.702 175.663 174.900 0.102 0.000 1.133 378 G CA -0.319 44.875 45.100 0.156 0.000 0.792 378 G HN 0.179 nan 8.290 nan 0.000 0.539 379 R N 0.210 120.742 120.500 0.054 0.000 2.491 379 R HA 0.322 4.662 4.340 0.001 0.000 0.283 379 R C 1.759 178.082 176.300 0.037 0.000 1.072 379 R CA -0.443 55.685 56.100 0.046 0.000 1.048 379 R CB 0.556 30.880 30.300 0.041 0.000 0.983 379 R HN 0.115 nan 8.270 nan 0.000 0.450 380 R N 2.822 123.331 120.500 0.015 0.000 2.094 380 R HA -0.214 4.126 4.340 0.001 0.000 0.239 380 R C 1.117 177.372 176.300 -0.075 0.000 1.137 380 R CA 2.557 58.651 56.100 -0.010 0.000 0.943 380 R CB -0.080 30.201 30.300 -0.031 0.000 0.850 380 R HN 0.775 nan 8.270 nan 0.000 0.433 381 E N -0.777 119.265 120.200 -0.263 0.000 2.204 381 E HA -0.097 4.254 4.350 0.001 0.000 0.194 381 E C 1.862 178.329 176.600 -0.222 0.000 0.989 381 E CA 1.209 57.312 56.400 -0.495 0.000 0.824 381 E CB 0.026 28.820 29.700 -1.509 0.000 0.756 381 E HN 0.157 nan 8.360 nan 0.000 0.477 382 V N -0.048 119.809 119.914 -0.095 0.000 2.453 382 V HA -0.188 3.933 4.120 0.001 0.000 0.247 382 V C 2.251 178.477 176.094 0.221 0.000 1.048 382 V CA 1.701 64.065 62.300 0.108 0.000 1.049 382 V CB -0.371 31.509 31.823 0.094 0.000 0.672 382 V HN 0.259 nan 8.190 nan 0.000 0.457 383 S N 0.248 116.057 115.700 0.182 0.000 2.383 383 S HA -0.169 4.302 4.470 0.001 0.000 0.227 383 S C 1.935 176.747 174.600 0.352 0.000 1.026 383 S CA 1.470 59.862 58.200 0.320 0.000 0.981 383 S CB -0.367 63.031 63.200 0.330 0.000 0.818 383 S HN 0.636 nan 8.310 nan 0.000 0.472 384 N N 0.990 119.841 118.700 0.251 0.000 2.084 384 N HA -0.076 4.664 4.740 0.001 0.000 0.190 384 N C 1.403 177.145 175.510 0.387 0.000 1.030 384 N CA 1.174 54.377 53.050 0.254 0.000 0.849 384 N CB -0.891 37.683 38.487 0.144 0.000 1.012 384 N HN 0.461 nan 8.380 nan 0.000 0.423 385 F N 1.769 121.888 119.950 0.282 0.000 2.085 385 F HA -0.210 4.318 4.527 0.001 0.000 0.299 385 F C 2.011 178.029 175.800 0.363 0.000 1.096 385 F CA 1.471 59.696 58.000 0.376 0.000 1.227 385 F CB -0.443 38.752 39.000 0.325 0.000 0.983 385 F HN -0.025 nan 8.300 nan 0.000 0.482 386 L N -1.197 120.174 121.223 0.247 0.000 2.068 386 L HA -0.150 4.191 4.340 0.001 0.000 0.204 386 L C 2.394 179.561 176.870 0.495 0.000 1.076 386 L CA 0.845 55.819 54.840 0.222 0.000 0.753 386 L CB -0.846 41.357 42.059 0.240 0.000 0.910 386 L HN -0.031 nan 8.230 nan 0.000 0.439 387 V N 0.411 120.613 119.914 0.479 0.000 2.287 387 V HA -0.237 3.883 4.120 0.001 0.000 0.248 387 V C 2.634 178.893 176.094 0.275 0.000 1.053 387 V CA 2.112 64.614 62.300 0.338 0.000 1.027 387 V CB -1.337 30.625 31.823 0.232 0.000 0.646 387 V HN 0.588 nan 8.190 nan 0.000 0.447 388 G N -0.357 108.646 108.800 0.338 0.000 2.442 388 G HA2 -0.346 3.614 3.960 0.001 0.000 0.219 388 G HA3 -0.346 3.614 3.960 0.001 0.000 0.219 388 G C 1.494 176.646 174.900 0.419 0.000 1.141 388 G CA 1.019 46.406 45.100 0.478 0.000 0.763 388 G HN 0.554 nan 8.290 nan 0.000 0.554 389 N N 0.922 119.728 118.700 0.177 0.000 2.244 389 N HA -0.058 4.682 4.740 0.001 0.000 0.183 389 N C 2.502 177.985 175.510 -0.045 0.000 1.016 389 N CA 1.037 53.949 53.050 -0.230 0.000 0.866 389 N CB -0.101 38.123 38.487 -0.438 0.000 0.980 389 N HN 0.272 nan 8.380 nan 0.000 0.430 390 A N 1.158 123.939 122.820 -0.066 0.000 1.873 390 A HA -0.067 4.254 4.320 0.001 0.000 0.215 390 A C 2.042 179.547 177.584 -0.132 0.000 1.186 390 A CA 0.707 52.477 52.037 -0.445 0.000 0.616 390 A CB -0.550 17.986 19.000 -0.773 0.000 0.823 390 A HN 0.233 nan 8.150 nan 0.000 0.442 391 L N -1.455 119.781 121.223 0.022 0.000 2.131 391 L HA -0.138 4.203 4.340 0.001 0.000 0.210 391 L C 2.296 179.222 176.870 0.095 0.000 1.092 391 L CA 1.827 56.734 54.840 0.110 0.000 0.759 391 L CB -1.447 40.766 42.059 0.255 0.000 0.903 391 L HN 0.678 nan 8.230 nan 0.000 0.435 392 Y N -1.809 118.372 120.300 -0.198 0.000 2.184 392 Y HA -0.225 4.326 4.550 0.002 0.000 0.290 392 Y C 2.297 178.043 175.900 -0.256 0.000 1.129 392 Y CA 1.234 59.018 58.100 -0.526 0.000 1.144 392 Y CB -0.513 37.416 38.460 -0.885 0.000 0.995 392 Y HN 0.098 nan 8.280 nan 0.000 0.513 393 W N 0.609 121.906 121.300 -0.005 0.000 2.355 393 W HA -0.189 4.471 4.660 0.000 0.000 0.309 393 W C 2.259 178.767 176.519 -0.018 0.000 1.206 393 W CA 1.437 58.760 57.345 -0.036 0.000 1.284 393 W CB -0.338 29.096 29.460 -0.043 0.000 1.145 393 W HN 0.048 nan 8.180 nan 0.000 0.502 394 I N -0.107 120.562 120.570 0.164 0.000 2.315 394 I HA -0.233 3.937 4.170 0.001 0.000 0.248 394 I C 2.081 178.224 176.117 0.043 0.000 1.117 394 I CA 1.467 62.819 61.300 0.086 0.000 1.404 394 I CB -0.404 37.608 38.000 0.020 0.000 1.071 394 I HN 0.042 nan 8.210 nan 0.000 0.419 395 E N 0.008 120.212 120.200 0.007 0.000 2.216 395 E HA 0.005 4.356 4.350 0.001 0.000 0.192 395 E C 1.919 178.467 176.600 -0.087 0.000 0.973 395 E CA 0.339 56.730 56.400 -0.015 0.000 0.851 395 E CB 0.268 29.994 29.700 0.043 0.000 0.804 395 E HN 0.287 nan 8.360 nan 0.000 0.477 396 R N -0.618 119.763 120.500 -0.198 0.000 2.308 396 R HA 0.143 4.484 4.340 0.001 0.000 0.202 396 R C 0.791 176.785 176.300 -0.510 0.000 0.898 396 R CA 0.379 56.245 56.100 -0.390 0.000 1.046 396 R CB 0.308 30.227 30.300 -0.634 0.000 1.026 396 R HN 0.177 nan 8.270 nan 0.000 0.512 397 F N -0.859 118.995 119.950 -0.159 0.000 2.817 397 F HA 0.266 4.794 4.527 0.002 0.000 0.333 397 F C 1.265 177.048 175.800 -0.029 0.000 1.085 397 F CA 0.327 58.303 58.000 -0.041 0.000 1.170 397 F CB 0.930 40.047 39.000 0.194 0.000 1.066 397 F HN 0.144 nan 8.300 nan 0.000 0.564 398 G N 2.214 111.097 108.800 0.137 0.000 2.153 398 G HA2 -0.340 3.621 3.960 0.001 0.000 0.252 398 G HA3 -0.340 3.621 3.960 0.001 0.000 0.252 398 G C 0.320 175.347 174.900 0.211 0.000 0.994 398 G CA 0.297 45.491 45.100 0.156 0.000 0.698 398 G HN 0.449 nan 8.290 nan 0.000 0.521 399 I N -1.823 118.859 120.570 0.187 0.000 2.754 399 I HA 0.453 4.623 4.170 0.001 0.000 0.285 399 I C 0.753 176.929 176.117 0.098 0.000 1.166 399 I CA 0.230 61.619 61.300 0.148 0.000 1.417 399 I CB 0.658 38.742 38.000 0.140 0.000 1.382 399 I HN 0.008 nan 8.210 nan 0.000 0.588 400 D N 5.106 125.556 120.400 0.083 0.000 2.366 400 D HA 0.318 4.959 4.640 0.001 0.000 0.205 400 D C 0.208 176.525 176.300 0.028 0.000 1.022 400 D CA 0.781 54.797 54.000 0.027 0.000 0.868 400 D CB 0.715 41.519 40.800 0.007 0.000 0.953 400 D HN 0.732 nan 8.370 nan 0.000 0.514 401 A N 0.516 123.373 122.820 0.062 0.000 2.594 401 A HA 0.577 4.898 4.320 0.001 0.000 0.296 401 A C -1.733 175.904 177.584 0.089 0.000 1.056 401 A CA -0.612 51.473 52.037 0.081 0.000 0.693 401 A CB 0.917 20.002 19.000 0.142 0.000 1.278 401 A HN 0.032 nan 8.150 nan 0.000 0.408 402 L N 1.630 122.916 121.223 0.104 0.000 2.346 402 L HA 0.703 5.044 4.340 0.001 0.000 0.276 402 L C 0.256 177.272 176.870 0.243 0.000 1.006 402 L CA -0.699 54.222 54.840 0.135 0.000 0.817 402 L CB 1.983 44.056 42.059 0.023 0.000 1.272 402 L HN 0.802 nan 8.230 nan 0.000 0.421 403 R N 2.396 123.048 120.500 0.253 0.000 2.393 403 R HA 0.562 4.903 4.340 0.001 0.000 0.315 403 R C -1.619 174.817 176.300 0.226 0.000 0.952 403 R CA -0.531 55.694 56.100 0.209 0.000 0.842 403 R CB 1.925 32.316 30.300 0.151 0.000 1.163 403 R HN 0.425 nan 8.270 nan 0.000 0.450 404 V N 6.046 126.065 119.914 0.176 0.000 2.364 404 V HA 0.081 4.201 4.120 0.001 0.000 0.272 404 V C 0.299 176.343 176.094 -0.084 0.000 1.036 404 V CA -0.696 61.687 62.300 0.139 0.000 0.880 404 V CB 1.100 33.074 31.823 0.251 0.000 0.991 404 V HN 0.800 nan 8.190 nan 0.000 0.460 405 D N 4.594 124.981 120.400 -0.021 0.000 2.358 405 D HA 0.333 4.974 4.640 0.001 0.000 0.244 405 D C 0.587 176.831 176.300 -0.094 0.000 1.163 405 D CA 0.211 54.144 54.000 -0.110 0.000 0.945 405 D CB 1.464 42.263 40.800 -0.002 0.000 1.152 405 D HN 0.987 nan 8.370 nan 0.000 0.451 406 A N 1.015 123.769 122.820 -0.109 0.000 2.415 406 A HA -0.131 4.189 4.320 0.001 0.000 0.292 406 A C 1.240 178.779 177.584 -0.075 0.000 1.452 406 A CA 0.698 52.702 52.037 -0.055 0.000 0.750 406 A CB -1.976 17.030 19.000 0.010 0.000 1.099 406 A HN 0.490 nan 8.150 nan 0.000 0.391 407 V N -0.216 119.636 119.914 -0.102 0.000 2.626 407 V HA -0.194 3.927 4.120 0.001 0.000 0.252 407 V C 2.833 178.877 176.094 -0.083 0.000 1.067 407 V CA 2.493 64.724 62.300 -0.116 0.000 1.081 407 V CB -1.000 30.706 31.823 -0.194 0.000 0.686 407 V HN 1.195 nan 8.190 nan 0.000 0.468 408 A N 0.237 123.058 122.820 0.000 0.000 1.902 408 A HA -0.237 4.084 4.320 0.001 0.000 0.217 408 A C 2.539 180.206 177.584 0.138 0.000 1.181 408 A CA 2.166 54.284 52.037 0.136 0.000 0.623 408 A CB -0.802 18.320 19.000 0.203 0.000 0.818 408 A HN 0.568 nan 8.150 nan 0.000 0.443 409 S N -1.211 114.534 115.700 0.075 0.000 2.507 409 S HA -0.058 4.412 4.470 0.001 0.000 0.235 409 S C 1.806 176.429 174.600 0.039 0.000 0.988 409 S CA 1.474 59.714 58.200 0.068 0.000 0.944 409 S CB -0.492 62.734 63.200 0.044 0.000 0.762 409 S HN 0.528 nan 8.310 nan 0.000 0.526 410 M N 0.587 120.179 119.600 -0.012 0.000 2.486 410 M HA 0.298 4.779 4.480 0.001 0.000 0.264 410 M C 1.786 178.044 176.300 -0.070 0.000 1.125 410 M CA 0.727 56.017 55.300 -0.016 0.000 1.144 410 M CB -0.018 32.537 32.600 -0.075 0.000 1.353 410 M HN 0.524 nan 8.290 nan 0.000 0.466 411 I N -3.375 117.087 120.570 -0.180 0.000 3.968 411 I HA 0.169 4.340 4.170 0.001 0.000 0.328 411 I C -0.551 175.255 176.117 -0.517 0.000 1.290 411 I CA -0.153 60.915 61.300 -0.386 0.000 1.163 411 I CB 0.192 37.822 38.000 -0.618 0.000 1.024 411 I HN -0.035 nan 8.210 nan 0.000 0.413 412 Y N 1.887 122.206 120.300 0.031 0.000 2.361 412 Y HA 0.392 4.943 4.550 0.001 0.000 0.337 412 Y C 1.350 177.278 175.900 0.047 0.000 0.965 412 Y CA -1.188 56.941 58.100 0.048 0.000 1.091 412 Y CB 1.568 40.057 38.460 0.048 0.000 1.182 412 Y HN -0.033 nan 8.280 nan 0.000 0.450 413 R N 0.495 121.115 120.500 0.201 0.000 2.226 413 R HA -0.177 4.163 4.340 0.001 0.000 0.246 413 R C -0.383 175.985 176.300 0.113 0.000 1.161 413 R CA 1.888 58.064 56.100 0.127 0.000 0.997 413 R CB -0.196 30.163 30.300 0.100 0.000 0.870 413 R HN 0.757 nan 8.270 nan 0.000 0.465 426 E N 2.383 122.660 120.200 0.128 0.000 3.449 426 E HA -0.293 4.058 4.350 0.001 0.000 0.438 426 E C -0.175 176.604 176.600 0.298 0.000 1.418 426 E CA 2.622 59.129 56.400 0.179 0.000 1.256 426 E CB -0.512 29.320 29.700 0.219 0.000 1.209 426 E HN 0.557 nan 8.360 nan 0.000 0.378 427 F N -1.580 118.389 119.950 0.032 0.000 2.872 427 F HA 0.714 5.242 4.527 0.001 0.000 0.363 427 F C -0.103 175.716 175.800 0.032 0.000 1.357 427 F CA -0.430 57.587 58.000 0.029 0.000 1.174 427 F CB 0.883 39.899 39.000 0.026 0.000 1.860 427 F HN 0.412 nan 8.300 nan 0.000 0.615 428 G N 0.492 109.273 108.800 -0.032 0.000 2.682 428 G HA2 0.632 4.592 3.960 0.001 0.000 0.300 428 G HA3 0.632 4.592 3.960 0.001 0.000 0.300 428 G C -0.252 174.679 174.900 0.052 0.000 1.391 428 G CA -0.654 44.495 45.100 0.081 0.000 0.990 428 G HN 1.299 nan 8.290 nan 0.000 0.501 429 G N 0.110 108.957 108.800 0.079 0.000 2.787 429 G HA2 0.065 4.026 3.960 0.001 0.000 0.685 429 G HA3 0.065 4.026 3.960 0.001 0.000 0.685 429 G C 0.052 175.019 174.900 0.112 0.000 1.437 429 G CA 0.144 45.292 45.100 0.080 0.000 0.872 429 G HN 1.235 nan 8.290 nan 0.000 0.566 430 R N -0.465 120.117 120.500 0.137 0.000 2.346 430 R HA 0.195 4.536 4.340 0.001 0.000 0.145 430 R C 0.276 176.712 176.300 0.226 0.000 0.557 430 R CA 0.855 57.039 56.100 0.140 0.000 0.789 430 R CB 0.110 30.475 30.300 0.108 0.000 1.270 430 R HN 0.931 nan 8.270 nan 0.000 0.505 431 E N -0.883 119.452 120.200 0.225 0.000 2.390 431 E HA 0.347 4.698 4.350 0.001 0.000 0.242 431 E C -1.118 175.541 176.600 0.098 0.000 0.907 431 E CA -0.982 55.544 56.400 0.209 0.000 0.884 431 E CB 0.361 30.162 29.700 0.168 0.000 1.788 431 E HN -0.089 nan 8.360 nan 0.000 0.427 432 N N 0.483 119.190 118.700 0.011 0.000 2.518 432 N HA 0.256 4.996 4.740 0.001 0.000 0.254 432 N C -0.018 175.516 175.510 0.040 0.000 0.979 432 N CA -0.332 52.741 53.050 0.039 0.000 0.930 432 N CB 0.823 39.335 38.487 0.042 0.000 1.152 432 N HN 0.671 nan 8.380 nan 0.000 0.505 433 L N 1.937 123.211 121.223 0.086 0.000 2.217 433 L HA -0.004 4.336 4.340 0.001 0.000 0.211 433 L C 1.718 178.647 176.870 0.097 0.000 1.107 433 L CA 0.900 55.797 54.840 0.096 0.000 0.783 433 L CB 0.039 42.170 42.059 0.121 0.000 0.919 433 L HN 0.553 nan 8.230 nan 0.000 0.442 434 E N 0.419 120.696 120.200 0.128 0.000 2.107 434 E HA -0.146 4.204 4.350 0.001 0.000 0.191 434 E C 2.323 179.014 176.600 0.151 0.000 0.982 434 E CA 1.025 57.531 56.400 0.178 0.000 0.809 434 E CB 0.000 29.859 29.700 0.265 0.000 0.756 434 E HN 0.469 nan 8.360 nan 0.000 0.459 435 A N 1.481 124.340 122.820 0.065 0.000 1.855 435 A HA -0.158 4.163 4.320 0.001 0.000 0.215 435 A C 2.183 179.725 177.584 -0.070 0.000 1.191 435 A CA 0.964 52.914 52.037 -0.144 0.000 0.613 435 A CB -0.623 18.279 19.000 -0.163 0.000 0.829 435 A HN 0.110 nan 8.150 nan 0.000 0.442 436 I N -0.394 120.142 120.570 -0.056 0.000 2.151 436 I HA -0.300 3.871 4.170 0.001 0.000 0.243 436 I C 2.608 178.721 176.117 -0.007 0.000 1.080 436 I CA 1.998 63.264 61.300 -0.057 0.000 1.339 436 I CB -0.283 37.700 38.000 -0.027 0.000 1.039 436 I HN 0.478 nan 8.210 nan 0.000 0.409 437 E N 1.198 121.423 120.200 0.042 0.000 2.077 437 E HA -0.286 4.064 4.350 0.001 0.000 0.193 437 E C 2.045 178.675 176.600 0.049 0.000 0.989 437 E CA 1.583 58.014 56.400 0.053 0.000 0.800 437 E CB -0.521 29.231 29.700 0.086 0.000 0.746 437 E HN 0.437 nan 8.360 nan 0.000 0.452 438 F N 0.624 120.543 119.950 -0.051 0.000 2.134 438 F HA -0.085 4.442 4.527 0.001 0.000 0.299 438 F C 1.820 177.573 175.800 -0.079 0.000 1.097 438 F CA 1.474 59.441 58.000 -0.055 0.000 1.264 438 F CB -0.218 38.707 39.000 -0.126 0.000 1.001 438 F HN 0.063 nan 8.300 nan 0.000 0.479 439 L N -0.191 120.909 121.223 -0.206 0.000 2.141 439 L HA -0.151 4.189 4.340 0.001 0.000 0.209 439 L C 2.658 179.322 176.870 -0.342 0.000 1.094 439 L CA 1.130 55.793 54.840 -0.295 0.000 0.763 439 L CB -0.562 41.460 42.059 -0.061 0.000 0.908 439 L HN 0.081 nan 8.230 nan 0.000 0.437 440 R N -0.182 120.189 120.500 -0.216 0.000 2.062 440 R HA -0.161 4.179 4.340 0.001 0.000 0.231 440 R C 2.137 178.321 176.300 -0.192 0.000 1.136 440 R CA 1.703 57.696 56.100 -0.179 0.000 0.948 440 R CB -0.366 29.883 30.300 -0.085 0.000 0.845 440 R HN 0.253 nan 8.270 nan 0.000 0.430 441 N N -0.227 118.367 118.700 -0.177 0.000 2.104 441 N HA -0.132 4.609 4.740 0.001 0.000 0.190 441 N C 1.447 176.838 175.510 -0.198 0.000 1.024 441 N CA 1.850 54.812 53.050 -0.146 0.000 0.853 441 N CB -0.195 38.238 38.487 -0.090 0.000 1.008 441 N HN 0.074 nan 8.380 nan 0.000 0.424 442 T N 0.500 114.844 114.554 -0.350 0.000 2.720 442 T HA -0.084 4.267 4.350 0.001 0.000 0.268 442 T C 1.526 176.096 174.700 -0.218 0.000 1.037 442 T CA 1.101 63.001 62.100 -0.333 0.000 1.144 442 T CB -0.294 68.249 68.868 -0.542 0.000 0.864 442 T HN 0.306 nan 8.240 nan 0.000 0.444 443 N N 0.698 119.239 118.700 -0.264 0.000 2.216 443 N HA -0.028 4.712 4.740 0.001 0.000 0.183 443 N C 1.991 177.446 175.510 -0.093 0.000 1.017 443 N CA 0.704 53.636 53.050 -0.196 0.000 0.861 443 N CB -0.276 38.013 38.487 -0.330 0.000 0.986 443 N HN 0.403 nan 8.380 nan 0.000 0.428 444 R N 0.962 121.395 120.500 -0.112 0.000 2.073 444 R HA -0.018 4.323 4.340 0.001 0.000 0.234 444 R C 2.127 178.411 176.300 -0.028 0.000 1.134 444 R CA 1.026 57.088 56.100 -0.063 0.000 0.952 444 R CB -0.259 30.001 30.300 -0.066 0.000 0.850 444 R HN 0.114 nan 8.270 nan 0.000 0.433 445 I N 0.714 121.258 120.570 -0.042 0.000 2.179 445 I HA -0.283 3.888 4.170 0.001 0.000 0.242 445 I C 2.012 178.127 176.117 -0.004 0.000 1.088 445 I CA 0.756 62.045 61.300 -0.019 0.000 1.357 445 I CB -0.208 37.780 38.000 -0.020 0.000 1.051 445 I HN 0.189 nan 8.210 nan 0.000 0.409 446 L N 0.703 121.919 121.223 -0.012 0.000 2.042 446 L HA -0.141 4.199 4.340 0.001 0.000 0.210 446 L C 2.558 179.448 176.870 0.033 0.000 1.076 446 L CA 2.102 56.940 54.840 -0.003 0.000 0.749 446 L CB -1.896 40.151 42.059 -0.019 0.000 0.893 446 L HN 0.280 nan 8.230 nan 0.000 0.432 447 G N -1.345 107.516 108.800 0.102 0.000 2.462 447 G HA2 -0.227 3.734 3.960 0.001 0.000 0.220 447 G HA3 -0.227 3.734 3.960 0.001 0.000 0.220 447 G C 1.503 176.451 174.900 0.079 0.000 1.121 447 G CA 0.766 45.967 45.100 0.169 0.000 0.758 447 G HN 0.503 nan 8.290 nan 0.000 0.559 448 E N -0.733 119.491 120.200 0.040 0.000 2.201 448 E HA 0.021 4.372 4.350 0.001 0.000 0.193 448 E C 2.536 179.141 176.600 0.007 0.000 0.957 448 E CA 0.230 56.642 56.400 0.020 0.000 0.858 448 E CB 0.041 29.748 29.700 0.012 0.000 0.816 448 E HN 0.218 nan 8.360 nan 0.000 0.475 449 Q N 0.301 120.104 119.800 0.005 0.000 2.204 449 Q HA -0.001 4.339 4.340 0.001 0.000 0.198 449 Q C 1.262 177.257 176.000 -0.008 0.000 0.946 449 Q CA 0.940 56.744 55.803 0.002 0.000 0.859 449 Q CB 0.938 29.683 28.738 0.012 0.000 0.946 449 Q HN 0.232 nan 8.270 nan 0.000 0.474 450 V N -1.657 118.245 119.914 -0.019 0.000 2.502 450 V HA 0.428 4.549 4.120 0.001 0.000 0.261 450 V C -0.149 175.900 176.094 -0.074 0.000 0.996 450 V CA -0.825 61.450 62.300 -0.041 0.000 1.095 450 V CB 0.885 32.685 31.823 -0.039 0.000 1.325 450 V HN 0.003 nan 8.190 nan 0.000 0.574 451 S N 1.998 117.658 115.700 -0.067 0.000 2.549 451 S HA 0.560 5.030 4.470 0.001 0.000 0.283 451 S C 1.544 176.052 174.600 -0.154 0.000 1.320 451 S CA 1.479 59.619 58.200 -0.100 0.000 1.058 451 S CB 0.645 63.816 63.200 -0.048 0.000 0.882 451 S HN 2.380 nan 8.310 nan 0.000 0.498 452 G N 3.036 111.681 108.800 -0.259 0.000 2.313 452 G HA2 -0.090 3.870 3.960 0.001 0.000 0.215 452 G HA3 -0.090 3.870 3.960 0.001 0.000 0.215 452 G C 0.175 174.896 174.900 -0.299 0.000 1.023 452 G CA -0.059 44.881 45.100 -0.267 0.000 0.626 452 G HN 1.497 nan 8.290 nan 0.000 0.503 453 A N 1.099 123.761 122.820 -0.262 0.000 2.269 453 A HA 0.779 5.100 4.320 0.001 0.000 0.302 453 A C 0.667 178.079 177.584 -0.286 0.000 1.266 453 A CA 0.314 52.229 52.037 -0.205 0.000 0.894 453 A CB 0.595 19.524 19.000 -0.118 0.000 1.147 453 A HN 1.875 nan 8.150 nan 0.000 0.537 454 V N 1.200 120.959 119.914 -0.258 0.000 3.109 454 V HA 0.930 5.050 4.120 0.001 0.000 0.317 454 V C 0.219 176.372 176.094 0.098 0.000 1.074 454 V CA -0.033 62.117 62.300 -0.251 0.000 1.033 454 V CB 1.361 33.044 31.823 -0.233 0.000 1.111 454 V HN 1.056 nan 8.190 nan 0.000 0.458 455 T N 0.391 115.143 114.554 0.331 0.000 2.893 455 T HA 0.782 5.133 4.350 0.001 0.000 0.291 455 T C -0.747 174.302 174.700 0.582 0.000 1.028 455 T CA -0.594 61.761 62.100 0.424 0.000 0.995 455 T CB 1.698 70.802 68.868 0.392 0.000 1.051 455 T HN 0.830 nan 8.240 nan 0.000 0.470 456 M N 1.866 121.756 119.600 0.482 0.000 2.530 456 M HA 0.763 5.244 4.480 0.001 0.000 0.307 456 M C -1.096 175.213 176.300 0.015 0.000 1.161 456 M CA -0.486 55.014 55.300 0.334 0.000 0.903 456 M CB 2.294 35.068 32.600 0.289 0.000 1.711 456 M HN 1.065 nan 8.290 nan 0.000 0.451 457 A N 2.101 124.767 122.820 -0.257 0.000 2.414 457 A HA 0.716 5.037 4.320 0.001 0.000 0.306 457 A C -1.512 175.803 177.584 -0.448 0.000 1.054 457 A CA -0.599 51.053 52.037 -0.642 0.000 0.724 457 A CB 1.606 19.769 19.000 -1.394 0.000 1.267 457 A HN 0.674 nan 8.150 nan 0.000 0.418 458 E N 2.082 121.991 120.200 -0.486 0.000 2.129 458 E HA 0.351 4.702 4.350 0.001 0.000 0.268 458 E C -1.414 175.089 176.600 -0.162 0.000 0.900 458 E CA -0.206 55.997 56.400 -0.327 0.000 0.755 458 E CB 1.258 30.620 29.700 -0.563 0.000 1.117 458 E HN 0.615 nan 8.360 nan 0.000 0.410 459 E N 3.080 123.267 120.200 -0.022 0.000 2.241 459 E HA 0.250 4.601 4.350 0.001 0.000 0.263 459 E C -0.525 176.148 176.600 0.122 0.000 0.882 459 E CA -0.327 56.090 56.400 0.030 0.000 0.769 459 E CB 1.638 31.351 29.700 0.021 0.000 1.185 459 E HN 0.447 nan 8.360 nan 0.000 0.415 460 S N 1.705 117.479 115.700 0.123 0.000 2.478 460 S HA -0.010 4.461 4.470 0.001 0.000 0.222 460 S C 1.187 175.862 174.600 0.126 0.000 1.008 460 S CA 0.564 58.843 58.200 0.133 0.000 0.928 460 S CB 0.125 63.390 63.200 0.107 0.000 0.781 460 S HN 0.729 nan 8.310 nan 0.000 0.518 461 T N 0.291 114.936 114.554 0.151 0.000 2.852 461 T HA 0.303 4.653 4.350 0.001 0.000 0.281 461 T C -0.500 174.302 174.700 0.171 0.000 0.993 461 T CA -0.612 61.565 62.100 0.129 0.000 0.933 461 T CB 0.501 69.443 68.868 0.123 0.000 1.187 461 T HN -0.163 nan 8.240 nan 0.000 0.559 462 D N 0.780 121.268 120.400 0.146 0.000 3.133 462 D HA 0.233 4.874 4.640 0.001 0.000 0.288 462 D C -0.748 175.657 176.300 0.174 0.000 1.346 462 D CA -0.281 53.804 54.000 0.142 0.000 0.934 462 D CB -0.550 40.290 40.800 0.066 0.000 1.042 462 D HN 0.455 nan 8.370 nan 0.000 0.506 463 F N 3.254 123.280 119.950 0.127 0.000 2.578 463 F HA 0.119 4.647 4.527 0.001 0.000 0.381 463 F C -1.799 174.048 175.800 0.078 0.000 1.069 463 F CA -1.252 56.823 58.000 0.124 0.000 1.231 463 F CB 0.587 39.664 39.000 0.127 0.000 1.086 463 F HN 0.029 nan 8.300 nan 0.000 0.564 464 P HA 0.230 nan 4.420 nan 0.000 0.278 464 P C -0.028 177.222 177.300 -0.084 0.000 1.238 464 P CA 0.149 63.131 63.100 -0.197 0.000 0.794 464 P CB 1.040 32.591 31.700 -0.249 0.000 0.955 465 G N 1.507 110.313 108.800 0.011 0.000 2.295 465 G HA2 -0.238 3.722 3.960 0.001 0.000 0.287 465 G HA3 -0.238 3.722 3.960 0.001 0.000 0.287 465 G C 0.721 175.708 174.900 0.146 0.000 1.055 465 G CA 0.109 45.232 45.100 0.038 0.000 0.922 465 G HN 0.361 nan 8.290 nan 0.000 0.503 466 V N 0.427 120.448 119.914 0.178 0.000 2.307 466 V HA -0.086 4.034 4.120 0.001 0.000 0.245 466 V C 2.402 178.590 176.094 0.157 0.000 1.045 466 V CA 2.634 65.060 62.300 0.210 0.000 1.024 466 V CB -0.090 31.815 31.823 0.137 0.000 0.651 466 V HN 1.234 nan 8.190 nan 0.000 0.449 467 S N 0.401 116.106 115.700 0.009 0.000 2.519 467 S HA 0.336 4.806 4.470 0.001 0.000 0.245 467 S C 0.262 174.753 174.600 -0.182 0.000 1.152 467 S CA -0.580 57.577 58.200 -0.071 0.000 1.175 467 S CB -0.136 62.966 63.200 -0.163 0.000 0.829 467 S HN 0.300 nan 8.310 nan 0.000 0.472 468 R N 1.221 121.647 120.500 -0.122 0.000 2.803 468 R HA 0.597 4.938 4.340 0.001 0.000 0.276 468 R C -3.204 173.004 176.300 -0.154 0.000 0.978 468 R CA -2.439 53.567 56.100 -0.156 0.000 0.939 468 R CB 0.602 30.840 30.300 -0.102 0.000 1.179 468 R HN 0.151 nan 8.270 nan 0.000 0.472 469 P HA 0.024 nan 4.420 nan 0.000 0.267 469 P C 0.165 177.401 177.300 -0.107 0.000 1.201 469 P CA 0.093 63.088 63.100 -0.175 0.000 0.775 469 P CB 0.627 32.237 31.700 -0.151 0.000 0.854 470 Q N 0.792 120.530 119.800 -0.104 0.000 2.170 470 Q HA -0.177 4.163 4.340 0.001 0.000 0.203 470 Q C 1.301 177.279 176.000 -0.037 0.000 0.976 470 Q CA 1.754 57.520 55.803 -0.061 0.000 0.858 470 Q CB -0.572 28.124 28.738 -0.071 0.000 0.907 470 Q HN 0.489 nan 8.270 nan 0.000 0.433 471 D N -0.492 119.880 120.400 -0.046 0.000 2.178 471 D HA -0.091 4.550 4.640 0.001 0.000 0.202 471 D C 0.775 177.060 176.300 -0.025 0.000 0.974 471 D CA 0.875 54.856 54.000 -0.031 0.000 0.841 471 D CB 0.106 40.886 40.800 -0.034 0.000 0.953 471 D HN 0.250 nan 8.370 nan 0.000 0.478 472 M N -0.913 118.666 119.600 -0.034 0.000 2.652 472 M HA 0.361 4.841 4.480 0.001 0.000 0.226 472 M C 1.092 177.380 176.300 -0.021 0.000 1.244 472 M CA 0.135 55.417 55.300 -0.030 0.000 0.986 472 M CB -0.598 31.977 32.600 -0.041 0.000 1.666 472 M HN 0.045 nan 8.290 nan 0.000 0.460 473 G N 0.340 109.136 108.800 -0.006 0.000 2.143 473 G HA2 -0.172 3.789 3.960 0.001 0.000 0.248 473 G HA3 -0.172 3.789 3.960 0.001 0.000 0.248 473 G C 0.350 175.281 174.900 0.052 0.000 0.991 473 G CA 0.012 45.123 45.100 0.017 0.000 0.689 473 G HN 0.820 nan 8.290 nan 0.000 0.522 474 G N -1.367 107.455 108.800 0.037 0.000 2.522 474 G HA2 0.610 4.570 3.960 0.001 0.000 0.304 474 G HA3 0.610 4.570 3.960 0.001 0.000 0.304 474 G C 1.021 175.978 174.900 0.095 0.000 1.210 474 G CA -0.565 44.583 45.100 0.080 0.000 0.960 474 G HN 0.482 nan 8.290 nan 0.000 0.497 475 L N 0.307 121.611 121.223 0.136 0.000 2.567 475 L HA 0.228 4.569 4.340 0.001 0.000 0.225 475 L C 2.026 178.838 176.870 -0.096 0.000 1.119 475 L CA 0.661 55.542 54.840 0.070 0.000 0.871 475 L CB 0.041 42.216 42.059 0.193 0.000 1.036 475 L HN 0.922 nan 8.230 nan 0.000 0.459 476 G N 0.075 108.815 108.800 -0.100 0.000 2.143 476 G HA2 -0.294 3.666 3.960 0.001 0.000 0.249 476 G HA3 -0.294 3.666 3.960 0.001 0.000 0.249 476 G C 0.163 174.888 174.900 -0.292 0.000 0.981 476 G CA -0.279 44.673 45.100 -0.247 0.000 0.665 476 G HN 0.158 nan 8.290 nan 0.000 0.528 477 F N -1.209 118.695 119.950 -0.078 0.000 2.435 477 F HA 0.496 5.024 4.527 0.001 0.000 0.316 477 F C 1.586 177.351 175.800 -0.057 0.000 1.220 477 F CA -0.321 57.692 58.000 0.022 0.000 1.241 477 F CB 0.424 39.464 39.000 0.066 0.000 1.234 477 F HN 0.035 nan 8.300 nan 0.000 0.569 478 W N -0.380 121.025 121.300 0.175 0.000 2.640 478 W HA 0.105 4.766 4.660 0.002 0.000 0.271 478 W C -0.546 175.836 176.519 -0.229 0.000 1.218 478 W CA 0.635 57.961 57.345 -0.031 0.000 1.382 478 W CB 0.232 29.653 29.460 -0.065 0.000 1.067 478 W HN 0.309 nan 8.180 nan 0.000 0.590 479 Y N 0.054 120.569 120.300 0.358 0.000 2.581 479 Y HA 0.372 4.923 4.550 0.001 0.000 0.345 479 Y C -0.207 175.775 175.900 0.136 0.000 1.036 479 Y CA -1.195 57.026 58.100 0.201 0.000 1.042 479 Y CB 1.698 40.317 38.460 0.264 0.000 1.289 479 Y HN -0.455 nan 8.280 nan 0.000 0.471 480 K N 1.189 121.746 120.400 0.261 0.000 2.427 480 K HA 0.376 4.697 4.320 0.001 0.000 0.252 480 K C -1.687 175.208 176.600 0.491 0.000 0.931 480 K CA -0.655 55.766 56.287 0.223 0.000 0.793 480 K CB 1.164 33.689 32.500 0.042 0.000 1.211 480 K HN 0.607 nan 8.250 nan 0.000 0.426 481 W N 2.360 123.772 121.300 0.187 0.000 2.223 481 W HA 0.078 4.739 4.660 0.001 0.000 0.334 481 W C 0.776 177.504 176.519 0.349 0.000 1.334 481 W CA -0.222 57.251 57.345 0.214 0.000 1.246 481 W CB 0.122 29.655 29.460 0.121 0.000 1.184 481 W HN 0.487 nan 8.180 nan 0.000 0.563 482 N N 4.125 123.093 118.700 0.445 0.000 3.083 482 N HA 0.097 4.838 4.740 0.001 0.000 0.260 482 N C 1.094 176.750 175.510 0.243 0.000 1.163 482 N CA 0.026 53.224 53.050 0.247 0.000 1.060 482 N CB 0.002 38.383 38.487 -0.177 0.000 1.345 482 N HN 0.415 nan 8.380 nan 0.000 0.515 483 L N 0.475 121.874 121.223 0.294 0.000 2.046 483 L HA -0.087 4.253 4.340 0.001 0.000 0.208 483 L C 2.380 179.406 176.870 0.259 0.000 1.077 483 L CA 1.388 56.368 54.840 0.234 0.000 0.747 483 L CB -0.674 41.560 42.059 0.292 0.000 0.896 483 L HN 0.431 nan 8.230 nan 0.000 0.432 484 G N -0.205 108.761 108.800 0.276 0.000 2.599 484 G HA2 -0.366 3.594 3.960 0.001 0.000 0.219 484 G HA3 -0.366 3.594 3.960 0.001 0.000 0.219 484 G C 1.253 176.329 174.900 0.293 0.000 1.193 484 G CA 1.055 46.316 45.100 0.267 0.000 0.778 484 G HN 0.542 nan 8.290 nan 0.000 0.589 485 W N 0.477 121.840 121.300 0.105 0.000 2.338 485 W HA -0.110 4.550 4.660 0.001 0.000 0.304 485 W C 2.595 179.109 176.519 -0.008 0.000 1.212 485 W CA 2.240 59.587 57.345 0.003 0.000 1.264 485 W CB -0.044 29.321 29.460 -0.158 0.000 1.142 485 W HN 0.188 nan 8.180 nan 0.000 0.512 486 M N -0.122 119.601 119.600 0.204 0.000 2.086 486 M HA -0.235 4.245 4.480 0.001 0.000 0.261 486 M C 1.827 178.010 176.300 -0.195 0.000 1.067 486 M CA 2.242 57.537 55.300 -0.009 0.000 1.116 486 M CB -1.277 31.331 32.600 0.013 0.000 1.348 486 M HN 0.158 nan 8.290 nan 0.000 0.407 487 H N 0.212 119.266 119.070 -0.026 0.000 2.321 487 H HA -0.153 4.403 4.556 0.001 0.000 0.300 487 H C 1.786 177.032 175.328 -0.136 0.000 1.087 487 H CA 1.957 57.967 56.048 -0.064 0.000 1.319 487 H CB -0.101 29.648 29.762 -0.022 0.000 1.379 487 H HN 0.410 nan 8.280 nan 0.000 0.501 488 D N -0.577 119.806 120.400 -0.029 0.000 2.104 488 D HA -0.148 4.492 4.640 0.001 0.000 0.194 488 D C 2.419 178.558 176.300 -0.268 0.000 0.994 488 D CA 2.075 56.002 54.000 -0.122 0.000 0.830 488 D CB -0.563 40.199 40.800 -0.064 0.000 0.959 488 D HN 0.537 nan 8.370 nan 0.000 0.452 489 T N -1.160 113.096 114.554 -0.497 0.000 2.896 489 T HA -0.057 4.293 4.350 0.001 0.000 0.263 489 T C 2.003 176.432 174.700 -0.452 0.000 1.050 489 T CA 0.273 62.032 62.100 -0.568 0.000 1.140 489 T CB -0.243 68.090 68.868 -0.892 0.000 0.877 489 T HN -0.047 nan 8.240 nan 0.000 0.457 490 L N 1.967 122.960 121.223 -0.383 0.000 2.093 490 L HA 0.023 4.363 4.340 0.001 0.000 0.208 490 L C 2.298 179.016 176.870 -0.254 0.000 1.085 490 L CA 1.575 56.212 54.840 -0.339 0.000 0.755 490 L CB -1.363 40.569 42.059 -0.210 0.000 0.904 490 L HN 0.272 nan 8.230 nan 0.000 0.435 491 D N -1.382 118.905 120.400 -0.188 0.000 2.104 491 D HA -0.267 4.374 4.640 0.001 0.000 0.194 491 D C 2.083 178.267 176.300 -0.193 0.000 0.994 491 D CA 1.228 55.126 54.000 -0.170 0.000 0.830 491 D CB -0.219 40.497 40.800 -0.141 0.000 0.959 491 D HN 0.328 nan 8.370 nan 0.000 0.452 492 Y N 0.832 120.940 120.300 -0.321 0.000 2.128 492 Y HA -0.217 4.333 4.550 0.001 0.000 0.284 492 Y C 2.202 177.900 175.900 -0.336 0.000 1.154 492 Y CA 1.520 59.423 58.100 -0.328 0.000 1.149 492 Y CB -0.100 38.109 38.460 -0.419 0.000 0.976 492 Y HN -0.145 nan 8.280 nan 0.000 0.505 493 M N 0.408 119.814 119.600 -0.323 0.000 2.296 493 M HA -0.159 4.321 4.480 0.001 0.000 0.265 493 M C 1.774 177.881 176.300 -0.322 0.000 1.064 493 M CA 1.444 56.514 55.300 -0.383 0.000 1.109 493 M CB -0.827 31.468 32.600 -0.509 0.000 1.396 493 M HN 0.297 nan 8.290 nan 0.000 0.430 494 K N 0.347 120.579 120.400 -0.281 0.000 2.147 494 K HA -0.000 4.321 4.320 0.001 0.000 0.205 494 K C 0.717 177.207 176.600 -0.184 0.000 1.049 494 K CA 0.481 56.641 56.287 -0.211 0.000 0.936 494 K CB -0.344 32.049 32.500 -0.179 0.000 0.722 494 K HN 0.295 nan 8.250 nan 0.000 0.446 495 L N 2.168 123.255 121.223 -0.227 0.000 2.485 495 L HA -0.026 4.315 4.340 0.001 0.000 0.275 495 L C 0.283 177.105 176.870 -0.080 0.000 1.207 495 L CA -0.227 54.530 54.840 -0.139 0.000 0.855 495 L CB 0.101 42.052 42.059 -0.179 0.000 1.114 495 L HN 0.072 nan 8.230 nan 0.000 0.485 496 D N 3.702 124.155 120.400 0.088 0.000 2.417 496 D HA 0.041 4.681 4.640 0.001 0.000 0.250 496 D C -1.458 174.814 176.300 -0.047 0.000 1.166 496 D CA -0.967 53.057 54.000 0.039 0.000 0.881 496 D CB 1.122 41.983 40.800 0.101 0.000 1.164 496 D HN 0.234 nan 8.370 nan 0.000 0.467 497 P HA -0.269 nan 4.420 nan 0.000 0.220 497 P C 1.506 178.731 177.300 -0.124 0.000 1.155 497 P CA 0.692 63.735 63.100 -0.095 0.000 0.880 497 P CB 0.121 31.793 31.700 -0.047 0.000 0.790 498 V N -2.065 117.721 119.914 -0.212 0.000 2.428 498 V HA -0.266 3.855 4.120 0.001 0.000 0.255 498 V C 1.903 177.834 176.094 -0.271 0.000 1.080 498 V CA 1.916 64.028 62.300 -0.313 0.000 1.083 498 V CB -1.213 30.303 31.823 -0.512 0.000 0.665 498 V HN 0.200 nan 8.190 nan 0.000 0.461 499 Y N -1.275 119.046 120.300 0.035 0.000 2.462 499 Y HA 0.141 4.691 4.550 0.001 0.000 0.261 499 Y C 2.379 178.330 175.900 0.085 0.000 1.146 499 Y CA -0.125 58.067 58.100 0.154 0.000 1.283 499 Y CB -0.056 38.504 38.460 0.167 0.000 1.090 499 Y HN 0.087 nan 8.280 nan 0.000 0.526 500 R N 0.976 121.502 120.500 0.043 0.000 2.152 500 R HA -0.198 4.142 4.340 0.001 0.000 0.232 500 R C 2.269 178.618 176.300 0.081 0.000 1.117 500 R CA 1.564 57.647 56.100 -0.030 0.000 0.981 500 R CB -0.266 29.877 30.300 -0.263 0.000 0.870 500 R HN 0.562 nan 8.270 nan 0.000 0.451 501 Q N -0.216 119.503 119.800 -0.134 0.000 2.234 501 Q HA -0.213 4.127 4.340 0.001 0.000 0.206 501 Q C 0.810 176.599 176.000 -0.351 0.000 0.980 501 Q CA 1.666 57.293 55.803 -0.292 0.000 0.869 501 Q CB -0.281 28.144 28.738 -0.522 0.000 0.912 501 Q HN 0.531 nan 8.270 nan 0.000 0.436 502 Y N -0.464 119.814 120.300 -0.036 0.000 2.482 502 Y HA 0.122 4.672 4.550 0.001 0.000 0.270 502 Y C 0.817 176.431 175.900 -0.476 0.000 1.152 502 Y CA 0.115 58.060 58.100 -0.257 0.000 1.292 502 Y CB 0.551 38.798 38.460 -0.355 0.000 1.070 502 Y HN 0.268 nan 8.280 nan 0.000 0.528 503 H N -1.504 117.700 119.070 0.224 0.000 2.562 503 H HA 0.127 4.683 4.556 0.001 0.000 0.249 503 H C 0.980 176.446 175.328 0.230 0.000 1.195 503 H CA -0.130 56.033 56.048 0.192 0.000 0.938 503 H CB -0.184 29.666 29.762 0.146 0.000 1.891 503 H HN 0.487 nan 8.280 nan 0.000 0.595 504 H N 1.927 121.084 119.070 0.145 0.000 2.422 504 H HA -0.111 4.445 4.556 0.001 0.000 0.298 504 H C 1.189 176.512 175.328 -0.009 0.000 1.098 504 H CA 1.709 57.786 56.048 0.050 0.000 1.315 504 H CB 0.518 30.288 29.762 0.014 0.000 1.382 504 H HN 0.574 nan 8.280 nan 0.000 0.523 505 D N 0.539 121.013 120.400 0.124 0.000 2.263 505 D HA -0.157 4.484 4.640 0.001 0.000 0.208 505 D C 1.671 178.012 176.300 0.068 0.000 0.971 505 D CA 0.623 54.683 54.000 0.100 0.000 0.867 505 D CB -0.278 40.582 40.800 0.099 0.000 0.929 505 D HN 0.365 nan 8.370 nan 0.000 0.492 506 K N -0.428 119.972 120.400 -0.001 0.000 2.211 506 K HA -0.046 4.275 4.320 0.001 0.000 0.203 506 K C 1.705 178.201 176.600 -0.174 0.000 1.050 506 K CA 0.396 56.648 56.287 -0.058 0.000 0.945 506 K CB 0.180 32.661 32.500 -0.032 0.000 0.732 506 K HN 0.090 nan 8.250 nan 0.000 0.451 507 L N 0.050 121.069 121.223 -0.339 0.000 2.416 507 L HA -0.017 4.324 4.340 0.001 0.000 0.216 507 L C 2.253 179.241 176.870 0.196 0.000 1.098 507 L CA 1.532 56.201 54.840 -0.285 0.000 0.840 507 L CB -0.553 41.057 42.059 -0.749 0.000 0.981 507 L HN 0.228 nan 8.230 nan 0.000 0.462 508 T N -5.099 109.555 114.554 0.167 0.000 3.044 508 T HA -0.050 4.301 4.350 0.001 0.000 0.250 508 T C 1.740 176.679 174.700 0.399 0.000 1.081 508 T CA 0.064 62.380 62.100 0.360 0.000 1.040 508 T CB -0.538 68.336 68.868 0.010 0.000 0.962 508 T HN 0.123 nan 8.240 nan 0.000 0.506 509 F N 2.311 122.370 119.950 0.182 0.000 2.325 509 F HA 0.250 4.778 4.527 0.001 0.000 0.299 509 F C 2.291 178.208 175.800 0.196 0.000 1.090 509 F CA 0.739 58.854 58.000 0.193 0.000 1.392 509 F CB -0.364 38.739 39.000 0.171 0.000 1.053 509 F HN 0.266 nan 8.300 nan 0.000 0.521 510 G N 1.247 110.119 108.800 0.119 0.000 2.440 510 G HA2 -0.258 3.703 3.960 0.001 0.000 0.218 510 G HA3 -0.258 3.703 3.960 0.001 0.000 0.218 510 G C 1.578 176.211 174.900 -0.444 0.000 1.154 510 G CA 1.056 46.051 45.100 -0.175 0.000 0.767 510 G HN 0.350 nan 8.290 nan 0.000 0.552 511 I N 0.875 121.363 120.570 -0.136 0.000 2.454 511 I HA -0.049 4.121 4.170 0.001 0.000 0.254 511 I C 2.655 178.615 176.117 -0.262 0.000 1.156 511 I CA 0.674 61.764 61.300 -0.350 0.000 1.433 511 I CB -0.790 37.071 38.000 -0.232 0.000 1.082 511 I HN 0.200 nan 8.210 nan 0.000 0.432 512 L N 0.084 121.171 121.223 -0.226 0.000 2.131 512 L HA -0.210 4.130 4.340 0.001 0.000 0.210 512 L C 2.091 178.900 176.870 -0.100 0.000 1.092 512 L CA 1.482 56.239 54.840 -0.138 0.000 0.759 512 L CB -0.491 41.459 42.059 -0.181 0.000 0.903 512 L HN 0.413 nan 8.230 nan 0.000 0.435 513 Y N -4.418 115.751 120.300 -0.218 0.000 2.641 513 Y HA 0.259 4.810 4.550 0.001 0.000 0.248 513 Y C 1.593 177.502 175.900 0.014 0.000 1.170 513 Y CA -0.611 57.443 58.100 -0.077 0.000 1.201 513 Y CB -1.208 37.207 38.460 -0.075 0.000 1.232 513 Y HN 0.007 nan 8.280 nan 0.000 0.537 514 N N 0.631 119.038 118.700 -0.488 0.000 2.223 514 N HA -0.203 4.537 4.740 0.001 0.000 0.185 514 N C 0.217 175.498 175.510 -0.382 0.000 1.016 514 N CA 1.369 54.121 53.050 -0.496 0.000 0.863 514 N CB -0.139 37.766 38.487 -0.970 0.000 0.983 514 N HN 0.529 nan 8.380 nan 0.000 0.429 515 Y N 0.116 120.444 120.300 0.047 0.000 2.470 515 Y HA 0.103 4.653 4.550 0.001 0.000 0.284 515 Y C 2.214 178.123 175.900 0.014 0.000 1.188 515 Y CA 0.455 58.574 58.100 0.031 0.000 1.269 515 Y CB -0.192 38.268 38.460 0.000 0.000 1.094 515 Y HN 0.123 nan 8.280 nan 0.000 0.518 516 T N -3.489 111.139 114.554 0.122 0.000 3.051 516 T HA 0.132 4.482 4.350 0.001 0.000 0.255 516 T C 0.454 175.102 174.700 -0.085 0.000 1.085 516 T CA 0.378 62.518 62.100 0.066 0.000 1.109 516 T CB 0.363 69.319 68.868 0.147 0.000 0.921 516 T HN 0.017 nan 8.240 nan 0.000 0.488 517 E N 1.217 121.267 120.200 -0.250 0.000 2.413 517 E HA 0.344 4.695 4.350 0.001 0.000 0.277 517 E C -1.359 174.825 176.600 -0.692 0.000 0.958 517 E CA -0.791 55.261 56.400 -0.580 0.000 0.779 517 E CB 1.418 30.526 29.700 -0.988 0.000 1.278 517 E HN 0.091 nan 8.360 nan 0.000 0.456 518 N N 1.721 119.999 118.700 -0.704 0.000 2.602 518 N HA 0.242 4.982 4.740 0.001 0.000 0.238 518 N C -0.727 174.654 175.510 -0.214 0.000 1.084 518 N CA 0.094 52.643 53.050 -0.835 0.000 0.952 518 N CB -0.189 37.603 38.487 -1.158 0.000 1.244 518 N HN 0.207 nan 8.380 nan 0.000 0.512 519 F N 0.424 120.520 119.950 0.244 0.000 2.399 519 F HA 0.218 4.745 4.527 0.001 0.000 0.342 519 F C 0.911 176.851 175.800 0.235 0.000 1.106 519 F CA -0.687 57.452 58.000 0.232 0.000 1.196 519 F CB 0.991 40.058 39.000 0.111 0.000 1.163 519 F HN -0.000 nan 8.300 nan 0.000 0.547 520 V N 4.943 125.093 119.914 0.392 0.000 2.398 520 V HA 0.251 4.372 4.120 0.001 0.000 0.286 520 V C -0.050 175.990 176.094 -0.089 0.000 1.026 520 V CA -0.918 61.438 62.300 0.094 0.000 0.868 520 V CB 1.431 33.294 31.823 0.066 0.000 0.982 520 V HN 0.484 nan 8.190 nan 0.000 0.443 521 L N 8.057 129.090 121.223 -0.317 0.000 2.325 521 L HA 0.393 4.733 4.340 0.001 0.000 0.284 521 L C -2.327 174.297 176.870 -0.409 0.000 1.089 521 L CA -1.190 53.355 54.840 -0.491 0.000 0.836 521 L CB 0.762 42.248 42.059 -0.956 0.000 1.184 521 L HN 0.448 nan 8.230 nan 0.000 0.444 522 P HA 0.291 nan 4.420 nan 0.000 0.307 522 P C -0.963 176.186 177.300 -0.251 0.000 1.417 522 P CA -0.670 62.117 63.100 -0.522 0.000 0.973 522 P CB 2.229 33.293 31.700 -1.060 0.000 1.048 523 L N 2.587 123.703 121.223 -0.178 0.000 2.417 523 L HA 0.333 4.674 4.340 0.001 0.000 0.258 523 L C 0.968 177.778 176.870 -0.100 0.000 1.088 523 L CA 0.075 54.887 54.840 -0.047 0.000 0.975 523 L CB -0.272 41.845 42.059 0.097 0.000 1.341 523 L HN 0.401 nan 8.230 nan 0.000 0.431 524 S N 0.553 116.119 115.700 -0.223 0.000 2.694 524 S HA 0.236 4.706 4.470 0.001 0.000 0.278 524 S C 1.534 175.894 174.600 -0.401 0.000 1.152 524 S CA 0.235 58.269 58.200 -0.276 0.000 1.010 524 S CB 0.642 63.621 63.200 -0.369 0.000 1.104 524 S HN 0.775 nan 8.310 nan 0.000 0.547 525 H N -0.621 117.965 119.070 -0.808 0.000 2.491 525 H HA 0.145 4.702 4.556 0.001 0.000 0.290 525 H C 1.170 176.219 175.328 -0.464 0.000 1.050 525 H CA 1.501 56.754 56.048 -1.325 0.000 1.309 525 H CB -0.373 28.042 29.762 -2.244 0.000 1.392 525 H HN 0.529 nan 8.280 nan 0.000 0.554 526 D N 0.640 120.596 120.400 -0.740 0.000 2.264 526 D HA -0.094 4.547 4.640 0.001 0.000 0.208 526 D C 1.194 177.438 176.300 -0.094 0.000 0.966 526 D CA 0.736 54.569 54.000 -0.277 0.000 0.864 526 D CB 0.047 40.723 40.800 -0.207 0.000 0.933 526 D HN 0.520 nan 8.370 nan 0.000 0.499 527 E N 0.049 120.172 120.200 -0.129 0.000 2.489 527 E HA -0.002 4.348 4.350 0.001 0.000 0.193 527 E C 1.288 177.883 176.600 -0.008 0.000 1.057 527 E CA 0.127 56.498 56.400 -0.049 0.000 0.866 527 E CB 0.600 30.262 29.700 -0.062 0.000 0.916 527 E HN 0.238 nan 8.360 nan 0.000 0.500 528 V N -2.153 117.759 119.914 -0.003 0.000 3.017 528 V HA 0.290 4.410 4.120 0.001 0.000 0.354 528 V C 0.433 176.584 176.094 0.095 0.000 1.389 528 V CA -0.569 61.770 62.300 0.065 0.000 1.163 528 V CB -0.221 31.673 31.823 0.120 0.000 1.178 528 V HN -0.092 nan 8.190 nan 0.000 0.547 529 V N -3.832 116.102 119.914 0.034 0.000 3.182 529 V HA 0.677 4.798 4.120 0.001 0.000 0.311 529 V C 0.644 176.711 176.094 -0.044 0.000 1.221 529 V CA -0.846 61.410 62.300 -0.074 0.000 1.060 529 V CB 1.085 32.751 31.823 -0.261 0.000 1.164 529 V HN 0.514 nan 8.190 nan 0.000 0.466 530 H N 0.339 119.502 119.070 0.156 0.000 2.506 530 H HA -0.168 4.388 4.556 0.001 0.000 0.323 530 H C 1.436 176.807 175.328 0.071 0.000 1.076 530 H CA 1.213 57.324 56.048 0.106 0.000 1.108 530 H CB -1.656 28.168 29.762 0.104 0.000 1.569 530 H HN 2.039 nan 8.280 nan 0.000 0.399 531 G N 0.269 109.152 108.800 0.138 0.000 2.296 531 G HA2 -0.405 3.556 3.960 0.001 0.000 0.282 531 G HA3 -0.405 3.556 3.960 0.001 0.000 0.282 531 G C 1.167 176.111 174.900 0.074 0.000 1.014 531 G CA 0.865 46.019 45.100 0.089 0.000 0.812 531 G HN 0.598 nan 8.290 nan 0.000 0.508 532 K N 0.224 120.671 120.400 0.079 0.000 2.426 532 K HA 0.083 4.404 4.320 0.001 0.000 0.193 532 K C 1.208 177.828 176.600 0.034 0.000 1.028 532 K CA 0.793 57.114 56.287 0.057 0.000 1.047 532 K CB 0.005 32.545 32.500 0.067 0.000 0.821 532 K HN 0.845 nan 8.250 nan 0.000 0.513 533 K N 0.067 120.489 120.400 0.037 0.000 1.857 533 K HA -0.155 4.166 4.320 0.001 0.000 0.673 533 K C -0.233 176.384 176.600 0.029 0.000 2.567 533 K CA 0.526 56.829 56.287 0.026 0.000 1.857 533 K CB -1.421 31.081 32.500 0.003 0.000 2.792 533 K HN 0.178 nan 8.250 nan 0.000 0.151 534 S N 0.228 115.944 115.700 0.027 0.000 2.587 534 S HA 0.192 4.662 4.470 0.001 0.000 0.260 534 S C 1.630 176.233 174.600 0.005 0.000 1.353 534 S CA -0.408 57.811 58.200 0.031 0.000 0.995 534 S CB 0.476 63.688 63.200 0.021 0.000 0.912 534 S HN 0.457 nan 8.310 nan 0.000 0.568 535 I N 0.576 121.161 120.570 0.025 0.000 2.252 535 I HA -0.079 4.092 4.170 0.001 0.000 0.245 535 I C 2.347 178.424 176.117 -0.067 0.000 1.102 535 I CA 0.970 62.281 61.300 0.019 0.000 1.385 535 I CB -1.750 36.329 38.000 0.133 0.000 1.064 535 I HN 0.702 nan 8.210 nan 0.000 0.414 536 L N 1.367 122.532 121.223 -0.098 0.000 2.013 536 L HA -0.227 4.113 4.340 0.001 0.000 0.212 536 L C 1.871 178.607 176.870 -0.223 0.000 1.073 536 L CA 2.049 56.753 54.840 -0.227 0.000 0.753 536 L CB -0.895 41.003 42.059 -0.268 0.000 0.890 536 L HN 0.145 nan 8.230 nan 0.000 0.432 537 D N -0.716 119.600 120.400 -0.140 0.000 2.350 537 D HA -0.092 4.548 4.640 0.001 0.000 0.216 537 D C 2.203 178.433 176.300 -0.117 0.000 0.968 537 D CA 0.613 54.542 54.000 -0.120 0.000 0.894 537 D CB 0.011 40.772 40.800 -0.064 0.000 0.909 537 D HN 0.409 nan 8.370 nan 0.000 0.520 538 R N -0.521 119.904 120.500 -0.124 0.000 2.236 538 R HA 0.080 4.421 4.340 0.001 0.000 0.208 538 R C 0.579 176.779 176.300 -0.167 0.000 1.036 538 R CA 0.277 56.297 56.100 -0.133 0.000 1.001 538 R CB 0.135 30.353 30.300 -0.137 0.000 0.896 538 R HN 0.081 nan 8.270 nan 0.000 0.464 539 M N 2.293 121.773 119.600 -0.199 0.000 2.219 539 M HA 0.184 4.664 4.480 0.001 0.000 0.353 539 M C -2.124 174.068 176.300 -0.179 0.000 1.304 539 M CA -2.497 52.674 55.300 -0.215 0.000 1.115 539 M CB 0.287 32.721 32.600 -0.277 0.000 1.664 539 M HN -0.135 nan 8.290 nan 0.000 0.459 540 P HA 0.652 nan 4.420 nan 0.000 0.281 540 P C 0.138 177.387 177.300 -0.085 0.000 1.264 540 P CA 0.103 63.142 63.100 -0.101 0.000 0.824 540 P CB 1.214 32.867 31.700 -0.079 0.000 1.092 541 G N 1.013 109.781 108.800 -0.053 0.000 2.610 541 G HA2 -0.032 3.928 3.960 0.001 0.000 0.304 541 G HA3 -0.032 3.928 3.960 0.001 0.000 0.304 541 G C -0.932 173.954 174.900 -0.023 0.000 1.309 541 G CA -0.160 44.927 45.100 -0.021 0.000 0.906 541 G HN 0.840 nan 8.290 nan 0.000 0.521 542 D N 0.131 120.544 120.400 0.022 0.000 2.384 542 D HA 0.615 5.256 4.640 0.001 0.000 0.244 542 D C 1.781 178.070 176.300 -0.019 0.000 1.251 542 D CA 1.009 55.027 54.000 0.030 0.000 0.961 542 D CB 0.277 41.129 40.800 0.086 0.000 1.116 542 D HN 1.488 nan 8.370 nan 0.000 0.484 543 A N 0.479 123.266 122.820 -0.054 0.000 1.870 543 A HA -0.247 4.074 4.320 0.001 0.000 0.219 543 A C 2.056 179.410 177.584 -0.383 0.000 1.224 543 A CA 2.385 54.253 52.037 -0.282 0.000 0.650 543 A CB -1.893 16.899 19.000 -0.347 0.000 0.836 543 A HN 0.846 nan 8.150 nan 0.000 0.454 544 W N 0.322 121.466 121.300 -0.260 0.000 2.304 544 W HA -0.292 4.369 4.660 0.001 0.000 0.315 544 W C 2.523 179.012 176.519 -0.051 0.000 1.233 544 W CA 2.476 59.799 57.345 -0.037 0.000 1.261 544 W CB -0.276 29.291 29.460 0.178 0.000 1.150 544 W HN 0.510 nan 8.180 nan 0.000 0.494 545 Q N -0.285 119.643 119.800 0.213 0.000 2.123 545 Q HA -0.189 4.151 4.340 0.001 0.000 0.199 545 Q C 2.287 178.188 176.000 -0.166 0.000 0.966 545 Q CA 1.675 57.532 55.803 0.090 0.000 0.845 545 Q CB -0.227 28.625 28.738 0.189 0.000 0.907 545 Q HN 0.282 nan 8.270 nan 0.000 0.439 546 K N 0.129 120.382 120.400 -0.245 0.000 2.020 546 K HA -0.172 4.148 4.320 0.001 0.000 0.212 546 K C 1.902 178.204 176.600 -0.497 0.000 1.050 546 K CA 1.444 57.495 56.287 -0.392 0.000 0.929 546 K CB -0.369 31.814 32.500 -0.528 0.000 0.714 546 K HN 0.165 nan 8.250 nan 0.000 0.443 547 F N 1.297 120.941 119.950 -0.510 0.000 2.171 547 F HA -0.171 4.357 4.527 0.001 0.000 0.300 547 F C 2.689 178.224 175.800 -0.442 0.000 1.090 547 F CA 1.090 58.790 58.000 -0.499 0.000 1.293 547 F CB -0.540 38.056 39.000 -0.673 0.000 1.013 547 F HN 0.075 nan 8.300 nan 0.000 0.486 548 A N 0.356 122.927 122.820 -0.416 0.000 1.883 548 A HA -0.219 4.102 4.320 0.001 0.000 0.217 548 A C 2.188 179.639 177.584 -0.221 0.000 1.186 548 A CA 1.973 53.735 52.037 -0.459 0.000 0.624 548 A CB -0.878 17.615 19.000 -0.844 0.000 0.822 548 A HN 0.372 nan 8.150 nan 0.000 0.444 549 N N -0.351 118.240 118.700 -0.183 0.000 2.069 549 N HA -0.162 4.579 4.740 0.001 0.000 0.191 549 N C 1.705 177.170 175.510 -0.075 0.000 1.031 549 N CA 1.681 54.681 53.050 -0.083 0.000 0.852 549 N CB -0.442 37.978 38.487 -0.112 0.000 1.018 549 N HN 0.395 nan 8.380 nan 0.000 0.423 550 L N 1.979 123.083 121.223 -0.198 0.000 2.042 550 L HA -0.129 4.211 4.340 0.001 0.000 0.210 550 L C 2.341 179.014 176.870 -0.329 0.000 1.076 550 L CA 1.566 56.236 54.840 -0.285 0.000 0.749 550 L CB -0.330 41.495 42.059 -0.390 0.000 0.893 550 L HN 0.041 nan 8.230 nan 0.000 0.432 551 R N -1.069 119.306 120.500 -0.208 0.000 2.062 551 R HA -0.042 4.298 4.340 0.001 0.000 0.229 551 R C 2.253 178.535 176.300 -0.029 0.000 1.128 551 R CA 1.189 57.194 56.100 -0.158 0.000 0.960 551 R CB -0.568 29.652 30.300 -0.134 0.000 0.855 551 R HN 0.505 nan 8.270 nan 0.000 0.432 552 A N 0.237 123.068 122.820 0.020 0.000 1.933 552 A HA -0.226 4.095 4.320 0.001 0.000 0.218 552 A C 1.940 179.748 177.584 0.373 0.000 1.175 552 A CA 1.157 53.260 52.037 0.109 0.000 0.628 552 A CB -0.744 18.259 19.000 0.006 0.000 0.814 552 A HN 0.512 nan 8.150 nan 0.000 0.444 553 Y N -1.117 119.326 120.300 0.239 0.000 2.114 553 Y HA -0.303 4.247 4.550 0.001 0.000 0.284 553 Y C 2.354 178.607 175.900 0.588 0.000 1.143 553 Y CA 1.940 60.269 58.100 0.381 0.000 1.135 553 Y CB -0.280 38.286 38.460 0.177 0.000 0.980 553 Y HN 0.375 nan 8.280 nan 0.000 0.499 554 Y N 0.316 120.738 120.300 0.205 0.000 2.207 554 Y HA -0.170 4.381 4.550 0.001 0.000 0.287 554 Y C 2.662 178.725 175.900 0.272 0.000 1.156 554 Y CA 0.764 58.963 58.100 0.165 0.000 1.182 554 Y CB -1.542 36.928 38.460 0.017 0.000 0.979 554 Y HN 0.275 nan 8.280 nan 0.000 0.521 555 G N -0.771 108.251 108.800 0.370 0.000 2.442 555 G HA2 -0.275 3.686 3.960 0.001 0.000 0.219 555 G HA3 -0.275 3.686 3.960 0.001 0.000 0.219 555 G C 1.645 176.967 174.900 0.703 0.000 1.141 555 G CA 0.708 46.022 45.100 0.357 0.000 0.763 555 G HN 0.579 nan 8.290 nan 0.000 0.554 556 W N 0.584 122.186 121.300 0.504 0.000 2.476 556 W HA 0.114 4.775 4.660 0.001 0.000 0.281 556 W C 2.156 179.027 176.519 0.587 0.000 1.230 556 W CA 1.026 58.729 57.345 0.597 0.000 1.287 556 W CB -0.090 29.769 29.460 0.665 0.000 1.108 556 W HN 0.289 nan 8.180 nan 0.000 0.567 557 M N -0.430 119.549 119.600 0.631 0.000 2.200 557 M HA -0.162 4.318 4.480 0.001 0.000 0.265 557 M C 2.089 178.481 176.300 0.155 0.000 1.066 557 M CA 1.715 57.233 55.300 0.364 0.000 1.127 557 M CB -0.885 31.882 32.600 0.279 0.000 1.379 557 M HN -0.016 nan 8.290 nan 0.000 0.420 558 W N 0.371 121.743 121.300 0.119 0.000 2.519 558 W HA -0.035 4.625 4.660 0.001 0.000 0.266 558 W C 2.177 178.723 176.519 0.046 0.000 1.253 558 W CA 1.105 58.479 57.345 0.049 0.000 1.274 558 W CB -0.015 29.581 29.460 0.227 0.000 1.114 558 W HN 0.421 nan 8.180 nan 0.000 0.596 559 A N -0.730 122.258 122.820 0.279 0.000 2.030 559 A HA -0.027 4.293 4.320 0.001 0.000 0.215 559 A C 0.551 178.114 177.584 -0.036 0.000 1.164 559 A CA 0.047 52.030 52.037 -0.091 0.000 0.697 559 A CB -0.811 18.043 19.000 -0.243 0.000 0.827 559 A HN 0.036 nan 8.150 nan 0.000 0.457 560 F N 1.268 121.067 119.950 -0.251 0.000 2.518 560 F HA 0.327 4.854 4.527 0.001 0.000 0.359 560 F C -2.176 173.333 175.800 -0.485 0.000 1.118 560 F CA -2.128 55.576 58.000 -0.494 0.000 1.287 560 F CB 0.597 39.274 39.000 -0.538 0.000 1.132 560 F HN -0.011 nan 8.300 nan 0.000 0.587 561 P HA 0.333 nan 4.420 nan 0.000 0.268 561 P C -0.640 176.405 177.300 -0.425 0.000 1.204 561 P CA 0.355 63.072 63.100 -0.637 0.000 0.768 561 P CB 0.472 31.669 31.700 -0.837 0.000 0.842 562 G N 1.141 109.740 108.800 -0.335 0.000 2.528 562 G HA2 0.030 3.990 3.960 0.001 0.000 0.681 562 G HA3 0.030 3.990 3.960 0.001 0.000 0.681 562 G C -1.037 173.759 174.900 -0.172 0.000 1.340 562 G CA -0.987 44.026 45.100 -0.145 0.000 0.855 562 G HN 0.296 nan 8.290 nan 0.000 0.649 563 K N 0.387 120.766 120.400 -0.035 0.000 2.143 563 K HA 0.462 4.783 4.320 0.001 0.000 0.239 563 K C 0.383 176.774 176.600 -0.348 0.000 1.048 563 K CA -0.006 56.200 56.287 -0.135 0.000 0.867 563 K CB 0.350 32.785 32.500 -0.108 0.000 1.088 563 K HN 0.561 nan 8.250 nan 0.000 0.510 564 K N 0.976 121.117 120.400 -0.432 0.000 2.426 564 K HA 0.446 4.767 4.320 0.001 0.000 0.254 564 K C -0.562 175.803 176.600 -0.392 0.000 0.936 564 K CA -0.686 55.229 56.287 -0.621 0.000 0.801 564 K CB 1.744 33.562 32.500 -1.138 0.000 1.139 564 K HN 0.487 nan 8.250 nan 0.000 0.424 565 L N 3.077 124.074 121.223 -0.377 0.000 2.386 565 L HA 0.580 4.920 4.340 0.001 0.000 0.271 565 L C -1.719 175.048 176.870 -0.172 0.000 0.993 565 L CA -1.103 53.590 54.840 -0.245 0.000 0.819 565 L CB 1.604 43.449 42.059 -0.357 0.000 1.294 565 L HN 0.570 nan 8.230 nan 0.000 0.414 566 L N 4.431 125.641 121.223 -0.022 0.000 2.470 566 L HA 0.491 4.832 4.340 0.001 0.000 0.268 566 L C -1.373 175.518 176.870 0.036 0.000 0.964 566 L CA -0.106 54.775 54.840 0.068 0.000 0.839 566 L CB 1.752 43.977 42.059 0.276 0.000 1.276 566 L HN 0.528 nan 8.230 nan 0.000 0.403 567 F N 6.013 125.881 119.950 -0.137 0.000 2.412 567 F HA 0.496 5.023 4.527 0.001 0.000 0.348 567 F C 0.715 176.366 175.800 -0.248 0.000 1.102 567 F CA -0.865 56.987 58.000 -0.247 0.000 1.196 567 F CB 1.010 39.876 39.000 -0.223 0.000 1.144 567 F HN 0.633 nan 8.300 nan 0.000 0.541 568 M N 4.746 123.616 119.600 -1.216 0.000 2.226 568 M HA 0.263 4.743 4.480 0.001 0.000 0.352 568 M C 0.864 176.797 176.300 -0.610 0.000 1.226 568 M CA 1.239 56.056 55.300 -0.807 0.000 0.943 568 M CB -0.608 31.536 32.600 -0.760 0.000 1.805 568 M HN 1.039 nan 8.290 nan 0.000 0.465 569 G N 2.833 111.380 108.800 -0.422 0.000 2.308 569 G HA2 -0.303 3.657 3.960 0.001 0.000 0.221 569 G HA3 -0.303 3.657 3.960 0.001 0.000 0.221 569 G C 0.663 175.135 174.900 -0.713 0.000 1.032 569 G CA 0.458 45.045 45.100 -0.854 0.000 0.623 569 G HN 0.854 nan 8.290 nan 0.000 0.506 570 N N 1.170 119.730 118.700 -0.232 0.000 2.309 570 N HA -0.027 4.714 4.740 0.001 0.000 0.182 570 N C 1.982 177.561 175.510 0.114 0.000 1.018 570 N CA 1.171 54.227 53.050 0.010 0.000 0.876 570 N CB -0.128 38.453 38.487 0.156 0.000 0.972 570 N HN 0.707 nan 8.380 nan 0.000 0.434 571 E N 1.365 121.629 120.200 0.105 0.000 2.427 571 E HA -0.149 4.201 4.350 0.001 0.000 0.196 571 E C 0.545 177.358 176.600 0.355 0.000 1.028 571 E CA 0.764 57.343 56.400 0.298 0.000 0.864 571 E CB -0.192 29.788 29.700 0.466 0.000 0.813 571 E HN 0.634 nan 8.360 nan 0.000 0.514 572 F N -1.383 118.724 119.950 0.263 0.000 2.735 572 F HA 0.727 5.255 4.527 0.001 0.000 0.308 572 F C 0.461 176.452 175.800 0.320 0.000 1.112 572 F CA -0.654 57.497 58.000 0.251 0.000 1.235 572 F CB 0.277 39.375 39.000 0.163 0.000 1.027 572 F HN 0.021 nan 8.300 nan 0.000 0.528 573 A N 1.219 124.119 122.820 0.133 0.000 2.475 573 A HA -0.304 4.016 4.320 0.001 0.000 0.295 573 A C 0.413 178.116 177.584 0.198 0.000 1.457 573 A CA 0.863 52.994 52.037 0.157 0.000 0.734 573 A CB -2.357 16.776 19.000 0.221 0.000 1.118 573 A HN 0.776 nan 8.150 nan 0.000 0.400 574 Q N -0.328 119.397 119.800 -0.125 0.000 2.283 574 Q HA 0.258 4.599 4.340 0.001 0.000 0.301 574 Q C 1.539 177.571 176.000 0.053 0.000 1.063 574 Q CA 1.016 56.788 55.803 -0.052 0.000 0.952 574 Q CB 0.346 28.970 28.738 -0.191 0.000 1.166 574 Q HN 0.996 nan 8.270 nan 0.000 0.381 575 G N 4.801 113.665 108.800 0.107 0.000 2.394 575 G HA2 -0.110 3.851 3.960 0.001 0.000 0.214 575 G HA3 -0.110 3.851 3.960 0.001 0.000 0.214 575 G C 0.310 175.243 174.900 0.056 0.000 1.176 575 G CA 0.052 45.206 45.100 0.091 0.000 0.786 575 G HN 0.525 nan 8.290 nan 0.000 0.533 576 R N 1.043 121.581 120.500 0.064 0.000 2.577 576 R HA 0.354 4.695 4.340 0.001 0.000 0.269 576 R C 0.288 176.635 176.300 0.078 0.000 1.084 576 R CA -0.329 55.811 56.100 0.068 0.000 1.163 576 R CB 0.718 31.066 30.300 0.079 0.000 1.100 576 R HN 0.552 nan 8.270 nan 0.000 0.547 577 E N 0.967 121.217 120.200 0.083 0.000 2.345 577 E HA -0.000 4.350 4.350 0.001 0.000 0.259 577 E C -0.812 175.896 176.600 0.180 0.000 1.117 577 E CA -0.731 55.740 56.400 0.120 0.000 0.913 577 E CB 0.571 30.327 29.700 0.092 0.000 1.057 577 E HN 0.467 nan 8.360 nan 0.000 0.432 578 W N 2.730 124.059 121.300 0.050 0.000 2.264 578 W HA 0.082 4.743 4.660 0.001 0.000 0.331 578 W C -0.747 175.816 176.519 0.074 0.000 1.364 578 W CA -0.316 57.080 57.345 0.084 0.000 1.253 578 W CB 0.045 29.607 29.460 0.169 0.000 1.215 578 W HN 0.632 nan 8.180 nan 0.000 0.561 579 N N 4.139 122.669 118.700 -0.283 0.000 2.524 579 N HA 0.065 4.805 4.740 0.001 0.000 0.261 579 N C 0.888 176.115 175.510 -0.471 0.000 0.998 579 N CA -0.527 52.279 53.050 -0.407 0.000 0.915 579 N CB 0.454 38.867 38.487 -0.124 0.000 1.187 579 N HN 0.716 nan 8.380 nan 0.000 0.507 580 H N 1.204 119.849 119.070 -0.708 0.000 2.518 580 H HA -0.012 4.544 4.556 0.001 0.000 0.289 580 H C 0.403 175.866 175.328 0.226 0.000 1.051 580 H CA 0.916 56.829 56.048 -0.225 0.000 1.280 580 H CB 0.235 29.842 29.762 -0.259 0.000 1.380 580 H HN 0.420 nan 8.280 nan 0.000 0.566 581 D N -0.006 120.162 120.400 -0.386 0.000 2.368 581 D HA 0.439 5.079 4.640 0.001 0.000 0.218 581 D C -0.000 176.305 176.300 0.009 0.000 1.112 581 D CA 0.412 54.321 54.000 -0.152 0.000 0.834 581 D CB 0.328 40.930 40.800 -0.331 0.000 0.953 581 D HN 0.599 nan 8.370 nan 0.000 0.505 582 A N -1.033 121.836 122.820 0.080 0.000 2.533 582 A HA 0.660 4.981 4.320 0.001 0.000 0.293 582 A C -0.543 177.166 177.584 0.207 0.000 1.228 582 A CA -0.574 51.531 52.037 0.114 0.000 0.689 582 A CB 1.055 20.092 19.000 0.062 0.000 1.303 582 A HN -0.011 nan 8.150 nan 0.000 0.444 583 S N -0.697 115.116 115.700 0.187 0.000 2.632 583 S HA 0.613 5.083 4.470 0.001 0.000 0.271 583 S C 0.126 174.840 174.600 0.190 0.000 1.260 583 S CA -0.531 57.802 58.200 0.222 0.000 1.010 583 S CB -0.121 63.204 63.200 0.208 0.000 0.965 583 S HN 0.616 nan 8.310 nan 0.000 0.534 584 L N 1.985 123.290 121.223 0.136 0.000 2.479 584 L HA 0.179 4.520 4.340 0.001 0.000 0.270 584 L C 0.419 177.241 176.870 -0.080 0.000 1.236 584 L CA -0.291 54.528 54.840 -0.036 0.000 0.823 584 L CB 0.140 42.017 42.059 -0.303 0.000 1.098 584 L HN 0.629 nan 8.230 nan 0.000 0.500 585 D N 0.737 121.096 120.400 -0.068 0.000 2.934 585 D HA 0.002 4.643 4.640 0.001 0.000 0.237 585 D C 0.766 176.870 176.300 -0.326 0.000 1.158 585 D CA 0.238 54.185 54.000 -0.089 0.000 0.971 585 D CB -0.151 40.571 40.800 -0.130 0.000 1.123 585 D HN 0.434 nan 8.370 nan 0.000 0.467 586 W N 0.451 121.635 121.300 -0.194 0.000 2.387 586 W HA -0.177 4.484 4.660 0.002 0.000 0.272 586 W C 2.500 178.823 176.519 -0.327 0.000 1.224 586 W CA 0.565 57.654 57.345 -0.426 0.000 1.210 586 W CB -0.491 28.751 29.460 -0.363 0.000 1.125 586 W HN 0.462 nan 8.180 nan 0.000 0.572 587 H N -0.333 118.749 119.070 0.021 0.000 2.489 587 H HA -0.130 4.427 4.556 0.001 0.000 0.295 587 H C 1.765 177.055 175.328 -0.062 0.000 1.082 587 H CA 1.401 57.444 56.048 -0.007 0.000 1.295 587 H CB -0.919 28.848 29.762 0.008 0.000 1.380 587 H HN 0.241 nan 8.280 nan 0.000 0.548 588 L N 0.642 121.481 121.223 -0.640 0.000 2.189 588 L HA -0.154 4.187 4.340 0.001 0.000 0.214 588 L C 2.117 178.783 176.870 -0.339 0.000 1.097 588 L CA 0.948 55.468 54.840 -0.533 0.000 0.764 588 L CB -0.211 41.395 42.059 -0.756 0.000 0.900 588 L HN 0.255 nan 8.230 nan 0.000 0.436 589 L N -1.201 119.842 121.223 -0.299 0.000 2.629 589 L HA 0.111 4.452 4.340 0.001 0.000 0.230 589 L C 0.593 177.507 176.870 0.073 0.000 1.151 589 L CA -0.324 54.353 54.840 -0.272 0.000 0.924 589 L CB -0.121 41.804 42.059 -0.223 0.000 1.137 589 L HN 0.070 nan 8.230 nan 0.000 0.457 590 E N 0.701 120.938 120.200 0.062 0.000 2.349 590 E HA 0.498 4.848 4.350 0.001 0.000 0.262 590 E C 0.731 177.417 176.600 0.144 0.000 1.088 590 E CA 0.626 57.094 56.400 0.112 0.000 0.899 590 E CB 1.015 30.774 29.700 0.100 0.000 1.044 590 E HN 0.216 nan 8.360 nan 0.000 0.420 591 G N 0.748 109.614 108.800 0.111 0.000 2.642 591 G HA2 -0.131 3.830 3.960 0.001 0.000 0.231 591 G HA3 -0.131 3.830 3.960 0.001 0.000 0.231 591 G C 0.424 175.380 174.900 0.094 0.000 1.338 591 G CA -0.427 44.727 45.100 0.089 0.000 0.883 591 G HN 0.725 nan 8.290 nan 0.000 0.570 592 G N -0.878 107.958 108.800 0.061 0.000 2.667 592 G HA2 0.446 4.407 3.960 0.001 0.000 0.250 592 G HA3 0.446 4.407 3.960 0.001 0.000 0.250 592 G C -0.020 174.913 174.900 0.055 0.000 1.212 592 G CA 0.746 45.861 45.100 0.024 0.000 0.874 592 G HN 0.941 nan 8.290 nan 0.000 0.561 593 D N -0.162 120.226 120.400 -0.022 0.000 2.451 593 D HA 0.163 4.804 4.640 0.001 0.000 0.254 593 D C 0.625 177.017 176.300 0.154 0.000 1.204 593 D CA 0.490 54.519 54.000 0.048 0.000 0.896 593 D CB 0.292 41.109 40.800 0.027 0.000 1.136 593 D HN 0.512 nan 8.370 nan 0.000 0.499 594 N N 1.938 120.818 118.700 0.299 0.000 3.002 594 N HA 0.267 5.008 4.740 0.001 0.000 0.331 594 N C 0.452 175.745 175.510 -0.362 0.000 1.384 594 N CA -0.867 52.085 53.050 -0.163 0.000 0.780 594 N CB 0.019 38.519 38.487 0.021 0.000 1.492 594 N HN 0.277 nan 8.380 nan 0.000 0.608 595 W N 0.118 121.035 121.300 -0.638 0.000 2.350 595 W HA -0.109 4.552 4.660 0.001 0.000 0.289 595 W C 1.630 177.802 176.519 -0.578 0.000 1.215 595 W CA 1.238 58.006 57.345 -0.961 0.000 1.236 595 W CB -0.648 27.567 29.460 -2.075 0.000 1.130 595 W HN 0.613 nan 8.180 nan 0.000 0.541 596 H N -1.960 117.103 119.070 -0.013 0.000 2.389 596 H HA -0.102 4.454 4.556 0.001 0.000 0.299 596 H C 1.990 177.391 175.328 0.122 0.000 1.081 596 H CA 1.375 57.499 56.048 0.128 0.000 1.345 596 H CB -0.474 29.346 29.762 0.097 0.000 1.393 596 H HN 0.233 nan 8.280 nan 0.000 0.520 597 H N 0.152 119.395 119.070 0.289 0.000 2.353 597 H HA -0.071 4.485 4.556 0.001 0.000 0.300 597 H C 2.539 178.037 175.328 0.284 0.000 1.090 597 H CA 1.067 57.273 56.048 0.262 0.000 1.327 597 H CB -0.526 29.362 29.762 0.210 0.000 1.383 597 H HN 0.426 nan 8.280 nan 0.000 0.508 598 G N 0.799 109.860 108.800 0.436 0.000 2.491 598 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 598 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 598 G C 1.965 177.066 174.900 0.335 0.000 1.180 598 G CA 1.504 46.865 45.100 0.435 0.000 0.774 598 G HN 0.296 nan 8.290 nan 0.000 0.562 599 V N 0.505 120.582 119.914 0.272 0.000 2.407 599 V HA -0.247 3.873 4.120 0.001 0.000 0.248 599 V C 2.754 178.982 176.094 0.223 0.000 1.055 599 V CA 2.303 64.735 62.300 0.219 0.000 1.049 599 V CB -0.530 31.461 31.823 0.279 0.000 0.662 599 V HN 0.492 nan 8.190 nan 0.000 0.455 600 Q N -0.279 119.703 119.800 0.304 0.000 2.119 600 Q HA -0.223 4.118 4.340 0.001 0.000 0.201 600 Q C 2.469 178.591 176.000 0.203 0.000 0.972 600 Q CA 1.554 57.539 55.803 0.305 0.000 0.847 600 Q CB 0.010 28.994 28.738 0.409 0.000 0.903 600 Q HN 0.505 nan 8.270 nan 0.000 0.433 601 R N -0.090 120.554 120.500 0.241 0.000 2.096 601 R HA -0.149 4.191 4.340 0.001 0.000 0.235 601 R C 2.252 178.637 176.300 0.140 0.000 1.127 601 R CA 1.185 57.419 56.100 0.223 0.000 0.968 601 R CB -0.251 30.241 30.300 0.321 0.000 0.861 601 R HN 0.258 nan 8.270 nan 0.000 0.440 602 L N -0.112 121.097 121.223 -0.023 0.000 2.141 602 L HA -0.082 4.258 4.340 0.001 0.000 0.209 602 L C 1.760 178.399 176.870 -0.386 0.000 1.094 602 L CA 1.425 55.981 54.840 -0.473 0.000 0.763 602 L CB -0.114 41.432 42.059 -0.855 0.000 0.908 602 L HN -0.041 nan 8.230 nan 0.000 0.437 603 V N 0.054 119.815 119.914 -0.256 0.000 2.358 603 V HA -0.256 3.865 4.120 0.001 0.000 0.246 603 V C 2.765 178.579 176.094 -0.466 0.000 1.047 603 V CA 2.015 64.065 62.300 -0.417 0.000 1.035 603 V CB -0.736 30.969 31.823 -0.196 0.000 0.658 603 V HN 0.553 nan 8.190 nan 0.000 0.452 604 R N 0.344 120.667 120.500 -0.297 0.000 2.073 604 R HA -0.193 4.148 4.340 0.001 0.000 0.234 604 R C 2.003 178.122 176.300 -0.301 0.000 1.134 604 R CA 2.238 58.141 56.100 -0.328 0.000 0.952 604 R CB -0.418 29.708 30.300 -0.290 0.000 0.850 604 R HN 0.473 nan 8.270 nan 0.000 0.433 605 D N 0.559 120.822 120.400 -0.228 0.000 2.117 605 D HA -0.153 4.487 4.640 0.001 0.000 0.197 605 D C 2.010 178.164 176.300 -0.242 0.000 0.987 605 D CA 1.218 55.114 54.000 -0.173 0.000 0.829 605 D CB -0.181 40.602 40.800 -0.029 0.000 0.961 605 D HN 0.289 nan 8.370 nan 0.000 0.460 606 L N 0.665 121.623 121.223 -0.442 0.000 2.046 606 L HA -0.171 4.170 4.340 0.001 0.000 0.208 606 L C 2.165 178.882 176.870 -0.254 0.000 1.077 606 L CA 0.871 55.377 54.840 -0.557 0.000 0.747 606 L CB -0.429 40.928 42.059 -1.170 0.000 0.896 606 L HN -0.012 nan 8.230 nan 0.000 0.432 607 N N 0.196 118.715 118.700 -0.301 0.000 2.084 607 N HA -0.143 4.597 4.740 0.001 0.000 0.190 607 N C 1.947 177.549 175.510 0.153 0.000 1.030 607 N CA 1.344 54.433 53.050 0.066 0.000 0.849 607 N CB -0.326 38.029 38.487 -0.220 0.000 1.012 607 N HN 0.268 nan 8.380 nan 0.000 0.423 608 L N 0.369 121.588 121.223 -0.006 0.000 2.093 608 L HA -0.108 4.233 4.340 0.001 0.000 0.208 608 L C 2.171 179.127 176.870 0.144 0.000 1.085 608 L CA 1.031 55.879 54.840 0.013 0.000 0.755 608 L CB -0.750 41.248 42.059 -0.102 0.000 0.904 608 L HN 0.154 nan 8.230 nan 0.000 0.435 609 T N -1.180 113.495 114.554 0.202 0.000 2.701 609 T HA -0.248 4.103 4.350 0.001 0.000 0.263 609 T C 1.703 176.765 174.700 0.604 0.000 1.040 609 T CA 1.402 63.744 62.100 0.403 0.000 1.147 609 T CB -0.495 68.569 68.868 0.326 0.000 0.865 609 T HN 0.263 nan 8.240 nan 0.000 0.426 610 Y N 2.587 123.192 120.300 0.508 0.000 2.062 610 Y HA -0.320 4.231 4.550 0.001 0.000 0.273 610 Y C 2.362 178.479 175.900 0.362 0.000 1.206 610 Y CA 1.672 60.063 58.100 0.485 0.000 1.125 610 Y CB -0.344 38.452 38.460 0.560 0.000 0.951 610 Y HN 0.075 nan 8.280 nan 0.000 0.501 611 R N -1.851 118.705 120.500 0.092 0.000 2.153 611 R HA -0.100 4.240 4.340 0.001 0.000 0.218 611 R C 2.060 178.392 176.300 0.054 0.000 1.072 611 R CA 1.144 57.157 56.100 -0.144 0.000 0.990 611 R CB -0.476 29.780 30.300 -0.074 0.000 0.889 611 R HN 0.466 nan 8.270 nan 0.000 0.452 612 H N 0.035 119.136 119.070 0.052 0.000 2.363 612 H HA 0.042 4.598 4.556 0.001 0.000 0.301 612 H C 0.054 175.306 175.328 -0.128 0.000 1.074 612 H CA 1.046 57.061 56.048 -0.056 0.000 1.354 612 H CB 0.314 30.012 29.762 -0.107 0.000 1.397 612 H HN 0.110 nan 8.280 nan 0.000 0.516 613 H N 0.905 120.048 119.070 0.123 0.000 2.594 613 H HA 0.108 4.664 4.556 0.001 0.000 0.304 613 H C 0.869 176.118 175.328 -0.132 0.000 1.068 613 H CA -0.283 55.766 56.048 0.002 0.000 1.308 613 H CB 1.553 31.367 29.762 0.087 0.000 1.409 613 H HN 0.275 nan 8.280 nan 0.000 0.460 614 K N 2.608 122.889 120.400 -0.197 0.000 2.103 614 K HA -0.151 4.170 4.320 0.001 0.000 0.207 614 K C 2.098 178.361 176.600 -0.563 0.000 1.048 614 K CA 1.350 57.292 56.287 -0.576 0.000 0.930 614 K CB 0.102 32.416 32.500 -0.310 0.000 0.716 614 K HN 0.625 nan 8.250 nan 0.000 0.444 615 A N 0.617 123.285 122.820 -0.253 0.000 2.024 615 A HA -0.179 4.141 4.320 0.001 0.000 0.220 615 A C 1.793 179.251 177.584 -0.210 0.000 1.164 615 A CA 1.433 53.352 52.037 -0.197 0.000 0.643 615 A CB -0.355 18.572 19.000 -0.122 0.000 0.806 615 A HN 0.174 nan 8.150 nan 0.000 0.451 616 M N -0.582 118.912 119.600 -0.177 0.000 2.659 616 M HA 0.023 4.503 4.480 0.001 0.000 0.243 616 M C 0.988 177.316 176.300 0.046 0.000 1.111 616 M CA 1.502 56.765 55.300 -0.061 0.000 1.070 616 M CB -1.221 31.441 32.600 0.102 0.000 1.525 616 M HN 0.919 nan 8.290 nan 0.000 0.517 617 H N -4.292 114.709 119.070 -0.115 0.000 3.749 617 H HA 0.305 4.861 4.556 0.001 0.000 0.266 617 H C 1.071 176.330 175.328 -0.114 0.000 1.123 617 H CA -0.166 55.802 56.048 -0.133 0.000 1.189 617 H CB -0.420 29.140 29.762 -0.337 0.000 1.731 617 H HN 0.163 nan 8.280 nan 0.000 0.863 618 E N 0.504 120.520 120.200 -0.307 0.000 2.152 618 E HA 0.030 4.381 4.350 0.001 0.000 0.192 618 E C -0.057 176.518 176.600 -0.042 0.000 0.983 618 E CA 0.782 57.104 56.400 -0.131 0.000 0.818 618 E CB 0.402 30.001 29.700 -0.169 0.000 0.758 618 E HN 0.212 nan 8.360 nan 0.000 0.467 619 L N 1.245 122.410 121.223 -0.096 0.000 3.025 619 L HA 0.112 4.453 4.340 0.001 0.000 0.307 619 L C 0.213 176.988 176.870 -0.159 0.000 1.303 619 L CA 0.103 54.907 54.840 -0.060 0.000 0.817 619 L CB 0.798 42.862 42.059 0.009 0.000 1.227 619 L HN -0.134 nan 8.230 nan 0.000 0.571 620 D N 0.098 120.263 120.400 -0.392 0.000 2.149 620 D HA -0.162 4.478 4.640 0.001 0.000 0.198 620 D C 1.277 177.263 176.300 -0.523 0.000 0.990 620 D CA 1.839 55.449 54.000 -0.650 0.000 0.839 620 D CB 0.133 40.243 40.800 -1.149 0.000 0.948 620 D HN 0.405 nan 8.370 nan 0.000 0.460 621 F N -0.086 119.907 119.950 0.072 0.000 2.639 621 F HA 0.199 4.727 4.527 0.001 0.000 0.300 621 F C 0.600 176.490 175.800 0.151 0.000 1.109 621 F CA -0.620 57.436 58.000 0.093 0.000 1.335 621 F CB 0.642 39.589 39.000 -0.089 0.000 1.014 621 F HN -0.319 nan 8.300 nan 0.000 0.537 622 D N 0.513 121.038 120.400 0.209 0.000 2.629 622 D HA 0.245 4.885 4.640 0.001 0.000 0.250 622 D C -2.119 174.146 176.300 -0.058 0.000 1.126 622 D CA -2.310 51.719 54.000 0.048 0.000 0.852 622 D CB 2.564 43.408 40.800 0.073 0.000 1.335 622 D HN -0.194 nan 8.370 nan 0.000 0.518 623 P HA -0.137 nan 4.420 nan 0.000 0.218 623 P C 1.220 178.494 177.300 -0.044 0.000 1.148 623 P CA 0.751 63.589 63.100 -0.436 0.000 0.822 623 P CB 0.024 31.404 31.700 -0.533 0.000 0.784 624 Y N 0.996 121.226 120.300 -0.115 0.000 2.241 624 Y HA -0.120 4.430 4.550 0.001 0.000 0.286 624 Y C 2.217 178.092 175.900 -0.042 0.000 1.166 624 Y CA 1.887 59.950 58.100 -0.062 0.000 1.203 624 Y CB -1.062 37.365 38.460 -0.055 0.000 0.977 624 Y HN -0.093 nan 8.280 nan 0.000 0.529 625 G N -1.604 107.187 108.800 -0.016 0.000 2.956 625 G HA2 -0.029 3.931 3.960 0.001 0.000 0.207 625 G HA3 -0.029 3.931 3.960 0.001 0.000 0.207 625 G C -0.498 174.354 174.900 -0.079 0.000 1.162 625 G CA 0.063 45.106 45.100 -0.095 0.000 0.796 625 G HN 0.319 nan 8.290 nan 0.000 0.527 626 F N -0.449 119.353 119.950 -0.247 0.000 2.604 626 F HA 0.586 5.113 4.527 0.001 0.000 0.316 626 F C -1.313 174.319 175.800 -0.280 0.000 1.136 626 F CA -1.136 56.674 58.000 -0.316 0.000 0.989 626 F CB 1.884 40.619 39.000 -0.441 0.000 1.258 626 F HN -0.021 nan 8.300 nan 0.000 0.451 627 E N 5.222 124.866 120.200 -0.927 0.000 2.308 627 E HA 0.234 4.585 4.350 0.001 0.000 0.275 627 E C -1.787 174.376 176.600 -0.728 0.000 0.890 627 E CA -0.752 55.308 56.400 -0.565 0.000 0.754 627 E CB 1.371 30.924 29.700 -0.245 0.000 1.207 627 E HN 0.707 nan 8.360 nan 0.000 0.426 628 W N 4.378 125.524 121.300 -0.257 0.000 2.190 628 W HA 0.174 4.835 4.660 0.001 0.000 0.330 628 W C 0.936 177.420 176.519 -0.058 0.000 1.299 628 W CA -0.289 57.006 57.345 -0.084 0.000 1.215 628 W CB 0.655 30.180 29.460 0.110 0.000 1.147 628 W HN 0.567 nan 8.180 nan 0.000 0.563 629 L N 2.413 123.780 121.223 0.239 0.000 2.526 629 L HA 0.205 4.545 4.340 0.001 0.000 0.210 629 L C 0.086 176.982 176.870 0.044 0.000 1.048 629 L CA 0.309 55.209 54.840 0.100 0.000 0.852 629 L CB -0.072 41.991 42.059 0.007 0.000 1.128 629 L HN 0.076 nan 8.230 nan 0.000 0.482 630 V N 0.464 120.441 119.914 0.106 0.000 2.443 630 V HA 0.164 4.284 4.120 0.001 0.000 0.272 630 V C 0.436 176.657 176.094 0.211 0.000 1.002 630 V CA -0.067 62.275 62.300 0.069 0.000 0.840 630 V CB 2.093 33.906 31.823 -0.017 0.000 1.042 630 V HN -0.025 nan 8.190 nan 0.000 0.446 631 V N 2.943 122.907 119.914 0.083 0.000 3.307 631 V HA 0.087 4.207 4.120 0.001 0.000 0.253 631 V C 1.448 177.525 176.094 -0.028 0.000 1.149 631 V CA 1.607 63.775 62.300 -0.220 0.000 1.112 631 V CB 0.565 31.922 31.823 -0.777 0.000 0.777 631 V HN 0.984 nan 8.190 nan 0.000 0.464 632 D N -0.988 119.418 120.400 0.011 0.000 2.525 632 D HA 0.047 4.688 4.640 0.001 0.000 0.229 632 D C 0.192 176.438 176.300 -0.091 0.000 1.202 632 D CA -0.231 53.742 54.000 -0.045 0.000 0.828 632 D CB -0.043 40.750 40.800 -0.012 0.000 1.008 632 D HN 0.343 nan 8.370 nan 0.000 0.493 633 D N 1.541 121.911 120.400 -0.049 0.000 2.563 633 D HA 0.082 4.723 4.640 0.001 0.000 0.222 633 D C 0.894 177.027 176.300 -0.278 0.000 1.145 633 D CA -0.161 53.815 54.000 -0.040 0.000 1.001 633 D CB 0.630 41.536 40.800 0.176 0.000 1.049 633 D HN 0.122 nan 8.370 nan 0.000 0.515 634 K N 1.541 121.669 120.400 -0.454 0.000 2.076 634 K HA -0.121 4.200 4.320 0.001 0.000 0.204 634 K C 1.845 178.333 176.600 -0.187 0.000 1.051 634 K CA 0.842 56.825 56.287 -0.507 0.000 0.949 634 K CB 0.135 32.404 32.500 -0.386 0.000 0.726 634 K HN 0.404 nan 8.250 nan 0.000 0.443 635 E N 1.568 121.690 120.200 -0.130 0.000 2.118 635 E HA -0.213 4.137 4.350 0.001 0.000 0.195 635 E C 1.834 178.414 176.600 -0.034 0.000 0.992 635 E CA 1.201 57.548 56.400 -0.089 0.000 0.804 635 E CB -0.126 29.544 29.700 -0.051 0.000 0.741 635 E HN 0.191 nan 8.360 nan 0.000 0.458 636 R N -0.079 120.436 120.500 0.025 0.000 2.312 636 R HA 0.186 4.527 4.340 0.001 0.000 0.205 636 R C -0.142 176.219 176.300 0.101 0.000 0.904 636 R CA 0.515 56.656 56.100 0.068 0.000 1.052 636 R CB 0.511 30.887 30.300 0.127 0.000 1.014 636 R HN 0.013 nan 8.270 nan 0.000 0.503 637 S N 0.256 116.039 115.700 0.140 0.000 3.711 637 S HA -0.105 4.366 4.470 0.001 0.000 0.374 637 S C -0.374 174.406 174.600 0.299 0.000 0.969 637 S CA 0.397 58.774 58.200 0.296 0.000 1.198 637 S CB -1.088 62.289 63.200 0.295 0.000 0.903 637 S HN 0.101 nan 8.310 nan 0.000 0.493 638 V N 1.855 121.915 119.914 0.243 0.000 2.495 638 V HA 0.681 4.801 4.120 0.001 0.000 0.298 638 V C -0.075 176.162 176.094 0.238 0.000 1.031 638 V CA -0.611 61.758 62.300 0.116 0.000 0.871 638 V CB 1.787 33.534 31.823 -0.126 0.000 0.988 638 V HN 0.382 nan 8.190 nan 0.000 0.432 639 L N 6.341 127.720 121.223 0.260 0.000 2.386 639 L HA 0.674 5.014 4.340 0.001 0.000 0.271 639 L C -0.640 176.464 176.870 0.389 0.000 0.993 639 L CA -0.090 55.023 54.840 0.455 0.000 0.819 639 L CB 2.008 44.481 42.059 0.689 0.000 1.294 639 L HN 0.425 nan 8.230 nan 0.000 0.414 640 I N 3.225 123.999 120.570 0.339 0.000 2.534 640 I HA 0.565 4.735 4.170 0.001 0.000 0.288 640 I C -0.976 175.230 176.117 0.149 0.000 1.077 640 I CA -0.504 60.798 61.300 0.004 0.000 1.051 640 I CB 1.704 39.440 38.000 -0.441 0.000 1.234 640 I HN 0.523 nan 8.210 nan 0.000 0.425 641 F N 4.630 124.486 119.950 -0.157 0.000 2.706 641 F HA 0.870 5.398 4.527 0.001 0.000 0.328 641 F C -1.515 173.991 175.800 -0.491 0.000 1.123 641 F CA -1.267 56.460 58.000 -0.456 0.000 0.978 641 F CB 1.311 39.746 39.000 -0.941 0.000 1.404 641 F HN 0.025 nan 8.300 nan 0.000 0.497 642 V N 2.318 122.020 119.914 -0.353 0.000 2.531 642 V HA 0.566 4.687 4.120 0.001 0.000 0.301 642 V C -0.764 175.147 176.094 -0.305 0.000 1.034 642 V CA -0.696 61.416 62.300 -0.313 0.000 0.865 642 V CB 1.740 33.408 31.823 -0.257 0.000 0.995 642 V HN 0.664 nan 8.190 nan 0.000 0.424 643 R N 3.713 124.082 120.500 -0.220 0.000 2.486 643 R HA 0.656 4.997 4.340 0.001 0.000 0.286 643 R C -0.346 175.841 176.300 -0.189 0.000 0.999 643 R CA -0.696 55.290 56.100 -0.189 0.000 0.993 643 R CB 1.447 31.634 30.300 -0.188 0.000 1.084 643 R HN 0.728 nan 8.270 nan 0.000 0.487 644 R N 1.179 121.561 120.500 -0.197 0.000 2.574 644 R HA 0.201 4.542 4.340 0.001 0.000 0.288 644 R C -0.992 175.217 176.300 -0.152 0.000 1.004 644 R CA -0.609 55.365 56.100 -0.211 0.000 0.895 644 R CB 1.121 31.195 30.300 -0.377 0.000 1.191 644 R HN 0.702 nan 8.270 nan 0.000 0.444 645 D N 2.292 122.631 120.400 -0.103 0.000 2.423 645 D HA 0.098 4.739 4.640 0.001 0.000 0.255 645 D C 0.309 176.639 176.300 0.048 0.000 1.174 645 D CA -0.511 53.452 54.000 -0.061 0.000 1.008 645 D CB 0.818 41.565 40.800 -0.089 0.000 1.101 645 D HN 0.472 nan 8.370 nan 0.000 0.516 646 K N -0.974 119.457 120.400 0.052 0.000 2.286 646 K HA -0.182 4.138 4.320 0.001 0.000 0.203 646 K C 1.092 177.750 176.600 0.098 0.000 1.045 646 K CA 1.213 57.556 56.287 0.094 0.000 0.935 646 K CB 0.049 32.569 32.500 0.035 0.000 0.737 646 K HN 0.356 nan 8.250 nan 0.000 0.460 647 E N -1.150 119.086 120.200 0.061 0.000 2.442 647 E HA 0.021 4.372 4.350 0.001 0.000 0.195 647 E C 0.899 177.547 176.600 0.079 0.000 1.030 647 E CA 0.650 57.078 56.400 0.047 0.000 0.869 647 E CB 0.626 30.329 29.700 0.006 0.000 0.857 647 E HN 0.410 nan 8.360 nan 0.000 0.505 648 G N 0.475 109.343 108.800 0.113 0.000 2.175 648 G HA2 -0.251 3.709 3.960 0.001 0.000 0.244 648 G HA3 -0.251 3.709 3.960 0.001 0.000 0.244 648 G C -0.026 174.872 174.900 -0.003 0.000 0.982 648 G CA -0.045 45.104 45.100 0.082 0.000 0.641 648 G HN 0.173 nan 8.290 nan 0.000 0.527 649 N N 1.534 120.225 118.700 -0.015 0.000 2.497 649 N HA 0.348 5.089 4.740 0.001 0.000 0.268 649 N C 0.074 175.563 175.510 -0.035 0.000 1.171 649 N CA 0.525 53.557 53.050 -0.029 0.000 0.948 649 N CB 0.801 39.267 38.487 -0.035 0.000 1.069 649 N HN 0.598 nan 8.380 nan 0.000 0.460 650 E N 0.903 121.111 120.200 0.012 0.000 2.195 650 E HA 0.469 4.819 4.350 0.001 0.000 0.271 650 E C -0.313 176.361 176.600 0.123 0.000 0.923 650 E CA -0.836 55.591 56.400 0.045 0.000 0.790 650 E CB 2.049 31.820 29.700 0.119 0.000 1.155 650 E HN 0.527 nan 8.360 nan 0.000 0.402 651 I N 0.409 120.996 120.570 0.028 0.000 2.474 651 I HA 0.449 4.620 4.170 0.001 0.000 0.294 651 I C -1.064 175.014 176.117 -0.065 0.000 1.005 651 I CA -0.534 60.804 61.300 0.063 0.000 1.113 651 I CB 1.087 39.053 38.000 -0.057 0.000 1.289 651 I HN 0.436 nan 8.210 nan 0.000 0.436 652 I N 6.779 127.341 120.570 -0.013 0.000 2.395 652 I HA 0.376 4.547 4.170 0.001 0.000 0.289 652 I C -0.616 175.359 176.117 -0.238 0.000 1.023 652 I CA -0.847 60.336 61.300 -0.195 0.000 1.350 652 I CB 1.488 39.346 38.000 -0.236 0.000 1.409 652 I HN 0.370 nan 8.210 nan 0.000 0.507 653 V N 5.934 125.549 119.914 -0.498 0.000 2.378 653 V HA 0.660 4.781 4.120 0.001 0.000 0.288 653 V C 0.064 175.889 176.094 -0.447 0.000 1.016 653 V CA -0.501 61.464 62.300 -0.559 0.000 0.840 653 V CB 1.383 32.430 31.823 -1.293 0.000 0.994 653 V HN 0.835 nan 8.190 nan 0.000 0.431 654 A N 3.626 126.346 122.820 -0.167 0.000 2.332 654 A HA 0.815 5.136 4.320 0.001 0.000 0.300 654 A C -0.246 177.303 177.584 -0.058 0.000 1.153 654 A CA -0.403 51.537 52.037 -0.161 0.000 0.764 654 A CB 1.393 20.250 19.000 -0.238 0.000 1.174 654 A HN 0.649 nan 8.150 nan 0.000 0.467 655 S N 1.674 117.369 115.700 -0.008 0.000 2.454 655 S HA 0.450 4.920 4.470 0.001 0.000 0.306 655 S C -0.219 174.193 174.600 -0.314 0.000 1.100 655 S CA -0.695 57.394 58.200 -0.184 0.000 1.087 655 S CB 1.053 64.176 63.200 -0.127 0.000 1.019 655 S HN 0.774 nan 8.310 nan 0.000 0.480 656 N N 2.381 120.833 118.700 -0.415 0.000 2.569 656 N HA 0.306 5.047 4.740 0.001 0.000 0.254 656 N C -0.958 174.378 175.510 -0.289 0.000 1.004 656 N CA -0.402 52.490 53.050 -0.264 0.000 0.904 656 N CB 0.349 38.728 38.487 -0.180 0.000 1.165 656 N HN 0.481 nan 8.380 nan 0.000 0.513 657 F N 1.511 121.485 119.950 0.040 0.000 2.663 657 F HA 0.193 4.720 4.527 0.001 0.000 0.299 657 F C 0.690 176.507 175.800 0.028 0.000 1.143 657 F CA 0.042 58.076 58.000 0.056 0.000 1.387 657 F CB 0.797 39.883 39.000 0.143 0.000 1.019 657 F HN 0.258 nan 8.300 nan 0.000 0.523 658 T N 1.743 116.374 114.554 0.127 0.000 2.885 658 T HA 0.234 4.585 4.350 0.001 0.000 0.285 658 T C -1.892 172.850 174.700 0.069 0.000 1.019 658 T CA -1.466 60.681 62.100 0.079 0.000 1.010 658 T CB 1.990 70.890 68.868 0.053 0.000 1.022 658 T HN -0.190 nan 8.240 nan 0.000 0.466 659 P HA 0.132 nan 4.420 nan 0.000 0.253 659 P C -0.166 177.165 177.300 0.052 0.000 1.281 659 P CA 0.074 63.238 63.100 0.107 0.000 0.792 659 P CB -0.015 31.756 31.700 0.119 0.000 1.193 660 V N 2.973 122.903 119.914 0.027 0.000 2.385 660 V HA 0.232 4.353 4.120 0.001 0.000 0.269 660 V C -2.137 173.944 176.094 -0.023 0.000 1.043 660 V CA -2.022 60.281 62.300 0.005 0.000 0.906 660 V CB 0.933 32.761 31.823 0.009 0.000 0.995 660 V HN -0.024 nan 8.190 nan 0.000 0.467 661 P HA 0.197 nan 4.420 nan 0.000 0.267 661 P C -0.599 176.550 177.300 -0.252 0.000 1.205 661 P CA -0.184 62.817 63.100 -0.165 0.000 0.765 661 P CB 0.389 31.980 31.700 -0.181 0.000 0.828 662 R N 3.271 123.619 120.500 -0.254 0.000 2.255 662 R HA 0.400 4.741 4.340 0.001 0.000 0.326 662 R C 0.156 176.334 176.300 -0.203 0.000 0.986 662 R CA -0.360 55.662 56.100 -0.131 0.000 0.847 662 R CB 0.389 30.686 30.300 -0.005 0.000 1.111 662 R HN 0.609 nan 8.270 nan 0.000 0.452 663 H N 1.361 120.511 119.070 0.134 0.000 2.573 663 H HA 0.184 4.741 4.556 0.001 0.000 0.351 663 H C -0.046 175.367 175.328 0.142 0.000 1.163 663 H CA -0.463 55.657 56.048 0.120 0.000 1.205 663 H CB 1.499 31.308 29.762 0.079 0.000 1.605 663 H HN 0.489 nan 8.280 nan 0.000 0.525 664 D N 0.806 121.363 120.400 0.262 0.000 2.708 664 D HA -0.285 4.356 4.640 0.001 0.000 0.236 664 D C -0.385 176.028 176.300 0.188 0.000 1.146 664 D CA 0.743 54.851 54.000 0.180 0.000 0.662 664 D CB -1.569 39.306 40.800 0.126 0.000 1.059 664 D HN 0.482 nan 8.370 nan 0.000 0.428 665 Y N 1.332 121.711 120.300 0.131 0.000 2.539 665 Y HA 0.198 4.749 4.550 0.001 0.000 0.352 665 Y C 0.826 176.849 175.900 0.206 0.000 1.004 665 Y CA -0.441 57.755 58.100 0.161 0.000 1.278 665 Y CB 0.416 38.971 38.460 0.159 0.000 1.136 665 Y HN -0.038 nan 8.280 nan 0.000 0.528 666 R N 7.120 127.604 120.500 -0.026 0.000 2.297 666 R HA 0.484 4.825 4.340 0.001 0.000 0.308 666 R C -1.666 174.733 176.300 0.166 0.000 1.029 666 R CA -0.397 55.718 56.100 0.025 0.000 0.929 666 R CB 0.436 30.721 30.300 -0.025 0.000 1.046 666 R HN 0.653 nan 8.270 nan 0.000 0.461 667 F N 0.495 120.497 119.950 0.088 0.000 2.631 667 F HA 0.587 5.115 4.527 0.001 0.000 0.308 667 F C -0.247 175.584 175.800 0.051 0.000 1.097 667 F CA -1.284 56.764 58.000 0.079 0.000 0.952 667 F CB 0.865 39.859 39.000 -0.010 0.000 1.307 667 F HN 0.551 nan 8.300 nan 0.000 0.450 668 G N 2.088 111.021 108.800 0.221 0.000 2.442 668 G HA2 0.487 4.447 3.960 0.001 0.000 0.249 668 G HA3 0.487 4.447 3.960 0.001 0.000 0.249 668 G C -0.640 174.312 174.900 0.086 0.000 1.263 668 G CA -0.463 44.707 45.100 0.116 0.000 0.846 668 G HN 1.035 nan 8.290 nan 0.000 0.555 669 I N -1.151 119.422 120.570 0.004 0.000 3.108 669 I HA 0.517 4.688 4.170 0.001 0.000 0.312 669 I C 0.112 176.261 176.117 0.053 0.000 1.095 669 I CA -1.456 59.830 61.300 -0.023 0.000 1.000 669 I CB 2.256 40.135 38.000 -0.200 0.000 1.229 669 I HN 0.274 nan 8.210 nan 0.000 0.454 670 N N 0.522 119.257 118.700 0.059 0.000 2.388 670 N HA 0.079 4.819 4.740 0.001 0.000 0.176 670 N C -0.401 175.187 175.510 0.131 0.000 1.062 670 N CA 0.575 53.681 53.050 0.094 0.000 0.895 670 N CB 0.322 38.845 38.487 0.061 0.000 1.018 670 N HN 0.621 nan 8.380 nan 0.000 0.456 671 Q N 1.375 121.281 119.800 0.177 0.000 2.394 671 Q HA 0.329 4.670 4.340 0.001 0.000 0.261 671 Q C -2.547 173.576 176.000 0.205 0.000 1.023 671 Q CA -1.792 54.125 55.803 0.191 0.000 0.720 671 Q CB 2.497 31.376 28.738 0.235 0.000 1.241 671 Q HN 0.087 nan 8.270 nan 0.000 0.483 672 P HA 0.230 nan 4.420 nan 0.000 0.269 672 P C 0.209 177.445 177.300 -0.107 0.000 1.215 672 P CA 0.519 63.501 63.100 -0.197 0.000 0.780 672 P CB 1.211 32.452 31.700 -0.765 0.000 0.898 673 G N 1.207 109.899 108.800 -0.180 0.000 2.332 673 G HA2 0.059 4.019 3.960 0.001 0.000 0.265 673 G HA3 0.059 4.019 3.960 0.001 0.000 0.265 673 G C -1.679 172.910 174.900 -0.518 0.000 1.329 673 G CA -0.786 44.088 45.100 -0.376 0.000 0.949 673 G HN 0.473 nan 8.290 nan 0.000 0.476 674 K N -0.290 119.848 120.400 -0.438 0.000 2.213 674 K HA 0.556 4.876 4.320 0.001 0.000 0.270 674 K C -1.403 175.030 176.600 -0.278 0.000 1.002 674 K CA -0.254 55.881 56.287 -0.253 0.000 0.868 674 K CB 1.842 34.268 32.500 -0.123 0.000 1.093 674 K HN 0.423 nan 8.250 nan 0.000 0.454 675 W N 1.655 122.906 121.300 -0.082 0.000 2.781 675 W HA 0.498 5.159 4.660 0.001 0.000 0.345 675 W C -0.072 176.448 176.519 0.001 0.000 1.085 675 W CA -0.709 56.615 57.345 -0.035 0.000 1.198 675 W CB 1.764 31.206 29.460 -0.031 0.000 1.423 675 W HN 0.415 nan 8.180 nan 0.000 0.532 676 R N 1.280 121.934 120.500 0.256 0.000 2.668 676 R HA 0.303 4.643 4.340 0.001 0.000 0.272 676 R C -0.965 175.437 176.300 0.170 0.000 1.019 676 R CA -0.753 55.445 56.100 0.163 0.000 0.894 676 R CB 1.679 32.033 30.300 0.089 0.000 1.228 676 R HN 0.597 nan 8.270 nan 0.000 0.460 677 E N 3.642 123.921 120.200 0.132 0.000 2.384 677 E HA 0.071 4.421 4.350 0.001 0.000 0.266 677 E C 0.754 177.409 176.600 0.093 0.000 1.012 677 E CA 0.199 56.667 56.400 0.114 0.000 0.901 677 E CB 0.828 30.576 29.700 0.079 0.000 0.967 677 E HN 0.559 nan 8.360 nan 0.000 0.435 678 I N 0.188 120.816 120.570 0.098 0.000 4.323 678 I HA 0.308 4.478 4.170 0.001 0.000 0.328 678 I C -0.089 176.036 176.117 0.014 0.000 1.310 678 I CA -0.174 61.171 61.300 0.075 0.000 1.186 678 I CB 0.559 38.610 38.000 0.084 0.000 1.130 678 I HN 0.245 nan 8.210 nan 0.000 0.411 679 L N 1.331 122.526 121.223 -0.046 0.000 2.472 679 L HA 0.549 4.889 4.340 0.001 0.000 0.260 679 L C -1.673 175.106 176.870 -0.152 0.000 0.963 679 L CA -0.217 54.495 54.840 -0.214 0.000 0.829 679 L CB 2.326 43.958 42.059 -0.713 0.000 1.348 679 L HN 0.249 nan 8.230 nan 0.000 0.408 680 N N 0.898 119.564 118.700 -0.057 0.000 2.599 680 N HA 0.174 4.915 4.740 0.001 0.000 0.283 680 N C 0.307 175.883 175.510 0.110 0.000 1.160 680 N CA 0.292 53.345 53.050 0.005 0.000 0.869 680 N CB 1.398 39.901 38.487 0.028 0.000 1.448 680 N HN 0.764 nan 8.380 nan 0.000 0.535 681 T N -0.487 114.074 114.554 0.011 0.000 3.072 681 T HA -0.099 4.252 4.350 0.001 0.000 0.266 681 T C 1.006 175.791 174.700 0.141 0.000 1.127 681 T CA 1.078 63.187 62.100 0.014 0.000 1.107 681 T CB -0.086 68.724 68.868 -0.097 0.000 0.910 681 T HN 0.439 nan 8.240 nan 0.000 0.513 682 D N 1.633 122.107 120.400 0.124 0.000 2.328 682 D HA 0.130 4.771 4.640 0.001 0.000 0.226 682 D C 0.714 177.101 176.300 0.145 0.000 1.066 682 D CA -0.063 54.026 54.000 0.148 0.000 0.861 682 D CB -0.127 40.764 40.800 0.151 0.000 0.912 682 D HN 0.462 nan 8.370 nan 0.000 0.521 683 S N -0.202 115.573 115.700 0.125 0.000 2.563 683 S HA -0.073 4.398 4.470 0.001 0.000 0.284 683 S C 1.529 176.057 174.600 -0.120 0.000 1.331 683 S CA -0.430 57.725 58.200 -0.075 0.000 1.047 683 S CB 0.615 63.656 63.200 -0.264 0.000 0.859 683 S HN 0.301 nan 8.310 nan 0.000 0.514 684 M N 3.205 122.675 119.600 -0.217 0.000 2.202 684 M HA -0.140 4.341 4.480 0.001 0.000 0.262 684 M C 1.393 177.532 176.300 -0.268 0.000 1.063 684 M CA 1.626 56.805 55.300 -0.202 0.000 1.097 684 M CB -0.399 32.069 32.600 -0.221 0.000 1.382 684 M HN 0.846 nan 8.290 nan 0.000 0.413 685 H N -1.036 117.814 119.070 -0.366 0.000 2.489 685 H HA -0.143 4.414 4.556 0.001 0.000 0.295 685 H C 0.924 176.013 175.328 -0.399 0.000 1.082 685 H CA 1.331 57.102 56.048 -0.461 0.000 1.295 685 H CB -0.405 28.990 29.762 -0.611 0.000 1.380 685 H HN 0.520 nan 8.280 nan 0.000 0.548 686 Y N -1.101 119.216 120.300 0.028 0.000 2.458 686 Y HA 0.147 4.697 4.550 0.001 0.000 0.256 686 Y C 0.454 176.433 175.900 0.132 0.000 1.159 686 Y CA -0.262 57.878 58.100 0.068 0.000 1.261 686 Y CB -0.149 38.343 38.460 0.054 0.000 1.119 686 Y HN 0.230 nan 8.280 nan 0.000 0.524 687 H N -2.238 116.915 119.070 0.137 0.000 3.049 687 H HA -0.107 4.450 4.556 0.001 0.000 0.250 687 H C 1.313 176.769 175.328 0.214 0.000 1.219 687 H CA 0.160 56.271 56.048 0.105 0.000 1.117 687 H CB -1.144 28.604 29.762 -0.023 0.000 1.251 687 H HN 0.477 nan 8.280 nan 0.000 0.338 688 G N -0.305 108.655 108.800 0.267 0.000 2.588 688 G HA2 0.306 4.267 3.960 0.001 0.000 0.278 688 G HA3 0.306 4.267 3.960 0.001 0.000 0.278 688 G C 1.140 176.302 174.900 0.437 0.000 1.307 688 G CA -0.031 45.265 45.100 0.326 0.000 1.016 688 G HN 0.454 nan 8.290 nan 0.000 0.503 689 S N -1.402 114.609 115.700 0.519 0.000 2.562 689 S HA -0.006 4.464 4.470 0.001 0.000 0.221 689 S C 1.107 175.797 174.600 0.149 0.000 0.975 689 S CA 0.777 59.161 58.200 0.307 0.000 0.918 689 S CB -0.276 63.047 63.200 0.206 0.000 0.772 689 S HN 0.884 nan 8.310 nan 0.000 0.531 690 N N 0.471 119.245 118.700 0.123 0.000 2.862 690 N HA -0.158 4.582 4.740 0.001 0.000 0.248 690 N C -0.043 175.492 175.510 0.042 0.000 1.116 690 N CA 0.350 53.419 53.050 0.032 0.000 0.727 690 N CB -1.467 37.005 38.487 -0.023 0.000 1.083 690 N HN 0.693 nan 8.380 nan 0.000 0.555 691 A N 0.104 122.972 122.820 0.080 0.000 2.304 691 A HA 0.813 5.134 4.320 0.001 0.000 0.271 691 A C 1.009 178.633 177.584 0.068 0.000 1.091 691 A CA 0.788 52.875 52.037 0.084 0.000 0.812 691 A CB 1.317 20.379 19.000 0.103 0.000 1.056 691 A HN 0.707 nan 8.150 nan 0.000 0.489 692 G N -0.068 108.777 108.800 0.076 0.000 2.323 692 G HA2 0.343 4.304 3.960 0.001 0.000 0.291 692 G HA3 0.343 4.304 3.960 0.001 0.000 0.291 692 G C -1.521 173.429 174.900 0.083 0.000 1.278 692 G CA -0.904 44.237 45.100 0.068 0.000 0.860 692 G HN 0.717 nan 8.290 nan 0.000 0.504 693 N N 0.614 119.362 118.700 0.079 0.000 2.678 693 N HA 0.469 5.209 4.740 0.001 0.000 0.231 693 N C 0.514 176.065 175.510 0.068 0.000 1.038 693 N CA 0.245 53.346 53.050 0.086 0.000 0.932 693 N CB 1.542 40.089 38.487 0.100 0.000 1.176 693 N HN 0.841 nan 8.380 nan 0.000 0.511 694 G N 1.707 110.540 108.800 0.056 0.000 2.726 694 G HA2 0.410 4.371 3.960 0.001 0.000 0.283 694 G HA3 0.410 4.371 3.960 0.001 0.000 0.283 694 G C 0.749 175.674 174.900 0.042 0.000 0.689 694 G CA 0.379 45.502 45.100 0.039 0.000 2.087 694 G HN 0.750 nan 8.290 nan 0.000 0.546 695 G N 0.532 109.361 108.800 0.048 0.000 2.409 695 G HA2 0.023 3.984 3.960 0.001 0.000 0.421 695 G HA3 0.023 3.984 3.960 0.001 0.000 0.421 695 G C -0.077 174.865 174.900 0.071 0.000 1.259 695 G CA -0.465 44.666 45.100 0.052 0.000 1.011 695 G HN 0.625 nan 8.290 nan 0.000 0.497 696 T N 0.296 114.893 114.554 0.071 0.000 2.916 696 T HA 0.463 4.814 4.350 0.001 0.000 0.303 696 T C 0.469 175.235 174.700 0.109 0.000 1.025 696 T CA 0.310 62.463 62.100 0.089 0.000 1.142 696 T CB 0.992 69.902 68.868 0.071 0.000 0.947 696 T HN 1.002 nan 8.240 nan 0.000 0.544 697 V N 4.590 124.587 119.914 0.139 0.000 2.459 697 V HA 0.297 4.418 4.120 0.001 0.000 0.295 697 V C 0.126 176.326 176.094 0.178 0.000 1.029 697 V CA -0.955 61.433 62.300 0.147 0.000 0.874 697 V CB 1.561 33.460 31.823 0.126 0.000 0.985 697 V HN 0.796 nan 8.190 nan 0.000 0.438 698 H N 2.622 121.748 119.070 0.094 0.000 2.481 698 H HA 0.426 4.983 4.556 0.001 0.000 0.339 698 H C 0.273 175.652 175.328 0.086 0.000 1.131 698 H CA -0.132 55.974 56.048 0.097 0.000 1.301 698 H CB 1.967 31.763 29.762 0.057 0.000 1.476 698 H HN 0.794 nan 8.280 nan 0.000 0.529 699 S N 3.744 119.486 115.700 0.070 0.000 2.603 699 S HA 0.169 4.640 4.470 0.001 0.000 0.268 699 S C -0.240 174.507 174.600 0.245 0.000 1.317 699 S CA -0.801 57.463 58.200 0.108 0.000 1.012 699 S CB 1.200 64.418 63.200 0.031 0.000 0.926 699 S HN 0.580 nan 8.310 nan 0.000 0.539 700 D N 0.441 120.935 120.400 0.156 0.000 2.269 700 D HA 0.233 4.873 4.640 0.001 0.000 0.244 700 D C -0.506 175.922 176.300 0.214 0.000 0.992 700 D CA -0.465 53.632 54.000 0.161 0.000 0.894 700 D CB 1.327 42.177 40.800 0.083 0.000 1.248 700 D HN 0.795 nan 8.370 nan 0.000 0.468 701 E N 1.197 121.514 120.200 0.196 0.000 2.392 701 E HA 0.199 4.550 4.350 0.001 0.000 0.307 701 E C -0.592 176.013 176.600 0.008 0.000 1.505 701 E CA -0.146 56.322 56.400 0.114 0.000 1.716 701 E CB -0.224 29.538 29.700 0.103 0.000 1.450 701 E HN 0.309 nan 8.360 nan 0.000 0.484 702 I N 1.746 122.323 120.570 0.012 0.000 2.382 702 I HA 0.292 4.462 4.170 0.001 0.000 0.286 702 I C 0.311 176.416 176.117 -0.020 0.000 1.002 702 I CA -0.772 60.524 61.300 -0.008 0.000 1.135 702 I CB 1.651 39.652 38.000 0.003 0.000 1.288 702 I HN 0.186 nan 8.210 nan 0.000 0.448 703 A N 4.680 127.480 122.820 -0.033 0.000 2.531 703 A HA 0.432 4.752 4.320 0.001 0.000 0.236 703 A C 0.183 177.765 177.584 -0.003 0.000 1.062 703 A CA 0.429 52.450 52.037 -0.027 0.000 0.760 703 A CB 0.383 19.365 19.000 -0.030 0.000 0.995 703 A HN 0.647 nan 8.150 nan 0.000 0.501 704 S N 0.440 116.160 115.700 0.033 0.000 2.543 704 S HA 0.481 4.952 4.470 0.001 0.000 0.273 704 S C -0.195 174.515 174.600 0.185 0.000 1.152 704 S CA -0.515 57.734 58.200 0.081 0.000 0.910 704 S CB 0.362 63.656 63.200 0.157 0.000 1.105 704 S HN 0.984 nan 8.310 nan 0.000 0.465 705 H N 2.266 121.362 119.070 0.042 0.000 2.690 705 H HA -0.230 4.327 4.556 0.001 0.000 0.309 705 H C 1.210 176.571 175.328 0.056 0.000 1.138 705 H CA 1.401 57.486 56.048 0.061 0.000 1.142 705 H CB -1.467 28.357 29.762 0.105 0.000 1.410 705 H HN 1.598 nan 8.280 nan 0.000 0.409 706 G N -0.154 108.705 108.800 0.098 0.000 2.143 706 G HA2 -0.325 3.636 3.960 0.001 0.000 0.249 706 G HA3 -0.325 3.636 3.960 0.001 0.000 0.249 706 G C 0.322 175.265 174.900 0.071 0.000 0.981 706 G CA 0.609 45.753 45.100 0.073 0.000 0.665 706 G HN 0.568 nan 8.290 nan 0.000 0.528 707 R N -0.811 119.738 120.500 0.082 0.000 2.832 707 R HA 0.586 4.926 4.340 0.001 0.000 0.271 707 R C 1.169 177.478 176.300 0.016 0.000 0.996 707 R CA -0.360 55.778 56.100 0.064 0.000 0.977 707 R CB 0.995 31.351 30.300 0.094 0.000 1.168 707 R HN 0.195 nan 8.270 nan 0.000 0.482 708 Q N 0.374 120.161 119.800 -0.021 0.000 2.137 708 Q HA -0.037 4.303 4.340 0.001 0.000 0.198 708 Q C -0.288 175.540 176.000 -0.287 0.000 0.960 708 Q CA 1.354 57.060 55.803 -0.161 0.000 0.847 708 Q CB 0.344 28.960 28.738 -0.204 0.000 0.915 708 Q HN 0.520 nan 8.270 nan 0.000 0.448 709 H N -0.878 118.207 119.070 0.025 0.000 2.616 709 H HA 0.434 4.990 4.556 0.001 0.000 0.353 709 H C -0.882 174.428 175.328 -0.030 0.000 1.170 709 H CA -0.341 55.714 56.048 0.011 0.000 1.212 709 H CB 1.991 31.770 29.762 0.028 0.000 1.653 709 H HN 0.117 nan 8.280 nan 0.000 0.537 710 S N 1.422 117.165 115.700 0.072 0.000 2.595 710 S HA 0.597 5.068 4.470 0.001 0.000 0.281 710 S C -1.372 173.104 174.600 -0.206 0.000 1.117 710 S CA -1.022 57.123 58.200 -0.091 0.000 0.873 710 S CB 1.387 64.553 63.200 -0.055 0.000 1.108 710 S HN 0.444 nan 8.310 nan 0.000 0.477 711 L N 1.567 122.489 121.223 -0.502 0.000 2.346 711 L HA 0.681 5.022 4.340 0.001 0.000 0.274 711 L C -0.427 176.181 176.870 -0.436 0.000 1.007 711 L CA -0.590 53.929 54.840 -0.535 0.000 0.818 711 L CB 2.222 43.768 42.059 -0.854 0.000 1.284 711 L HN 0.879 nan 8.230 nan 0.000 0.424 712 S N 4.335 119.939 115.700 -0.160 0.000 2.669 712 S HA 0.641 5.112 4.470 0.001 0.000 0.315 712 S C -0.762 173.885 174.600 0.079 0.000 1.106 712 S CA -0.539 57.656 58.200 -0.008 0.000 1.107 712 S CB 0.243 63.455 63.200 0.020 0.000 0.990 712 S HN 0.418 nan 8.310 nan 0.000 0.471 713 L N 2.771 124.108 121.223 0.189 0.000 2.303 713 L HA 0.592 4.933 4.340 0.001 0.000 0.266 713 L C 0.232 177.233 176.870 0.219 0.000 1.011 713 L CA -1.008 53.956 54.840 0.206 0.000 0.818 713 L CB 2.181 44.400 42.059 0.267 0.000 1.326 713 L HN 0.389 nan 8.230 nan 0.000 0.435 714 T N 2.709 117.369 114.554 0.176 0.000 2.771 714 T HA 0.461 4.812 4.350 0.001 0.000 0.291 714 T C -0.160 174.576 174.700 0.060 0.000 0.954 714 T CA -0.297 61.889 62.100 0.142 0.000 1.045 714 T CB 0.348 69.338 68.868 0.203 0.000 0.917 714 T HN 0.219 nan 8.240 nan 0.000 0.484 715 L N 6.740 127.947 121.223 -0.026 0.000 2.265 715 L HA 0.370 4.711 4.340 0.001 0.000 0.289 715 L C -2.153 174.666 176.870 -0.084 0.000 1.033 715 L CA -2.329 52.464 54.840 -0.079 0.000 0.814 715 L CB 1.158 43.105 42.059 -0.187 0.000 1.203 715 L HN 0.328 nan 8.230 nan 0.000 0.423 716 P HA 0.118 nan 4.420 nan 0.000 0.270 716 P C -2.528 174.778 177.300 0.011 0.000 1.223 716 P CA -1.226 61.877 63.100 0.006 0.000 0.785 716 P CB -0.181 31.547 31.700 0.048 0.000 0.923 717 P HA 0.136 nan 4.420 nan 0.000 0.280 717 P C 0.067 177.465 177.300 0.163 0.000 1.244 717 P CA -0.065 63.102 63.100 0.113 0.000 0.784 717 P CB 0.367 32.163 31.700 0.161 0.000 0.913 718 L N -0.215 121.056 121.223 0.080 0.000 3.795 718 L HA -0.237 4.104 4.340 0.001 0.000 0.489 718 L C 0.129 176.978 176.870 -0.034 0.000 1.259 718 L CA 0.548 55.408 54.840 0.034 0.000 0.765 718 L CB -1.648 40.472 42.059 0.101 0.000 1.519 718 L HN 0.612 nan 8.230 nan 0.000 0.842 719 A N -0.444 122.320 122.820 -0.094 0.000 2.587 719 A HA 0.883 5.203 4.320 0.001 0.000 0.293 719 A C -0.216 177.290 177.584 -0.129 0.000 1.087 719 A CA 0.206 52.198 52.037 -0.075 0.000 0.692 719 A CB 2.088 21.085 19.000 -0.005 0.000 1.291 719 A HN 0.206 nan 8.150 nan 0.000 0.407 720 T N 0.007 114.525 114.554 -0.061 0.000 2.908 720 T HA 0.763 5.114 4.350 0.001 0.000 0.290 720 T C -0.612 174.090 174.700 0.005 0.000 1.034 720 T CA -0.375 61.724 62.100 -0.002 0.000 1.010 720 T CB 0.659 69.620 68.868 0.155 0.000 1.068 720 T HN 1.453 nan 8.240 nan 0.000 0.481 721 I N -0.304 120.305 120.570 0.066 0.000 2.769 721 I HA 0.796 4.967 4.170 0.001 0.000 0.298 721 I C -1.717 174.566 176.117 0.276 0.000 1.128 721 I CA -1.188 60.147 61.300 0.059 0.000 1.031 721 I CB 2.085 40.114 38.000 0.049 0.000 1.235 721 I HN 0.545 nan 8.210 nan 0.000 0.423 722 W N 5.290 126.579 121.300 -0.018 0.000 2.632 722 W HA 0.681 5.341 4.660 0.001 0.000 0.328 722 W C -1.151 175.375 176.519 0.011 0.000 1.044 722 W CA -1.094 56.229 57.345 -0.037 0.000 1.225 722 W CB 1.541 30.976 29.460 -0.042 0.000 1.396 722 W HN 0.203 nan 8.180 nan 0.000 0.499 723 L N 3.206 124.588 121.223 0.266 0.000 2.342 723 L HA 0.635 4.975 4.340 0.001 0.000 0.271 723 L C -0.066 177.026 176.870 0.370 0.000 1.008 723 L CA -1.124 53.897 54.840 0.300 0.000 0.818 723 L CB 1.228 43.488 42.059 0.335 0.000 1.296 723 L HN 0.178 nan 8.230 nan 0.000 0.427 724 V N 3.079 123.159 119.914 0.277 0.000 2.919 724 V HA 0.543 4.663 4.120 0.001 0.000 0.316 724 V C -0.094 175.878 176.094 -0.204 0.000 1.077 724 V CA -0.863 61.492 62.300 0.091 0.000 0.977 724 V CB 2.657 34.479 31.823 -0.001 0.000 1.039 724 V HN 0.850 nan 8.190 nan 0.000 0.441 725 R N 3.494 123.558 120.500 -0.727 0.000 2.254 725 R HA 0.333 4.674 4.340 0.001 0.000 0.318 725 R C -0.260 175.731 176.300 -0.515 0.000 1.031 725 R CA -0.512 54.909 56.100 -1.132 0.000 0.905 725 R CB 0.691 30.090 30.300 -1.502 0.000 1.050 725 R HN 0.759 nan 8.270 nan 0.000 0.456 726 E N 2.251 122.207 120.200 -0.406 0.000 2.398 726 E HA 0.088 4.438 4.350 0.001 0.000 0.263 726 E C -0.285 176.192 176.600 -0.204 0.000 1.046 726 E CA -0.114 56.156 56.400 -0.218 0.000 0.908 726 E CB 0.895 30.507 29.700 -0.147 0.000 0.963 726 E HN 0.620 nan 8.360 nan 0.000 0.431 727 A N 2.827 125.570 122.820 -0.128 0.000 2.407 727 A HA 0.142 4.463 4.320 0.001 0.000 0.248 727 A C 0.534 178.067 177.584 -0.085 0.000 1.082 727 A CA -0.301 51.674 52.037 -0.104 0.000 0.785 727 A CB 0.199 19.158 19.000 -0.068 0.000 1.020 727 A HN 0.649 nan 8.150 nan 0.000 0.489 728 E N 0.000 120.155 120.200 -0.075 0.000 2.725 728 E HA 0.000 4.351 4.350 0.001 0.000 0.291 728 E CA 0.000 56.370 56.400 -0.049 0.000 0.976 728 E CB 0.000 29.672 29.700 -0.047 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440