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 1y1u_1_A DATA FIRST_RESID 138 DATA SEQUENCE SQKHLQINQR FEELRLITQD TENELKKLQQ TQEYFIIQYQ ESLRIQAQFA DATA SEQUENCE QLGQLNPQER MSRETALQQK QVSLETWLQR EAQTLQQYRV ELAEKHQKTL DATA SEQUENCE QLLRKQQTII LDDELIQWKR RQQLAGNGGP PEGSLDVLQS WCEKLAEIIW DATA SEQUENCE QNRQQIRRAE HLCQQLPIPG PVEEMLAEVN ATITDIISAL VTSTFIIEKQ DATA SEQUENCE PPQVLKTQTK FAATVRLLVG GKLNVHMNPP QVKATIISEQ QAKSLLKNEN DATA SEQUENCE TRNECSGEIL NNCCVMEYHQ ATGTLSAHFR NMSLKRXXXX XXXXXESVTE DATA SEQUENCE EKFTVLFESQ FSVGSNELVF QVKTLSLPVV VIVHGSQDHN ATATVLWDNA DATA SEQUENCE FAEPGRVPFA VPDKVLWPQL CEALNMKFKA EVQSNRGLTK ENLVFLAQKL DATA SEQUENCE FNISSNHLED YNSMSVSWSQ FNRENLPGWN YTFWQWFDGV MEVLKKHHKP DATA SEQUENCE HWNDGAILGF VNKQQAHDLL INKPDGTFLL RFSDSEIGGI TIAWKFDSPD DATA SEQUENCE RNLWNLKPFT TRDFSIRSLA DRLGDLNYLI YVFPDRPKDE VFAKYYTPVL DATA SEQUENCE AKA 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 138 S HA 0.000 nan 4.470 nan 0.000 0.327 138 S C 0.000 174.666 174.600 0.110 0.000 1.055 138 S CA 0.000 58.239 58.200 0.065 0.000 1.107 138 S CB 0.000 63.223 63.200 0.038 0.000 0.593 139 Q N 3.159 123.035 119.800 0.127 0.000 2.581 139 Q HA 0.439 4.779 4.340 0.001 0.000 0.222 139 Q C 1.094 177.162 176.000 0.114 0.000 0.904 139 Q CA 1.095 56.960 55.803 0.103 0.000 0.923 139 Q CB -0.174 28.606 28.738 0.071 0.000 1.117 139 Q HN 0.490 nan 8.270 nan 0.000 0.618 140 K N -0.459 120.029 120.400 0.146 0.000 2.296 140 K HA 0.037 4.358 4.320 0.001 0.000 0.200 140 K C 1.652 178.265 176.600 0.023 0.000 1.048 140 K CA 1.125 57.455 56.287 0.073 0.000 0.966 140 K CB -0.183 32.356 32.500 0.065 0.000 0.754 140 K HN 0.373 nan 8.250 nan 0.000 0.466 141 H N -0.430 118.688 119.070 0.081 0.000 2.329 141 H HA 0.122 4.678 4.556 0.001 0.000 0.306 141 H C 0.929 176.334 175.328 0.130 0.000 1.062 141 H CA 0.746 56.889 56.048 0.159 0.000 1.364 141 H CB -0.012 29.953 29.762 0.339 0.000 1.409 141 H HN -0.099 nan 8.280 nan 0.000 0.519 142 L N 1.699 123.079 121.223 0.261 0.000 2.786 142 L HA -0.084 4.257 4.340 0.001 0.000 0.250 142 L C 1.599 178.517 176.870 0.081 0.000 1.151 142 L CA 1.112 56.057 54.840 0.175 0.000 0.910 142 L CB -0.891 41.255 42.059 0.146 0.000 1.082 142 L HN 0.474 nan 8.230 nan 0.000 0.433 143 Q N 0.209 120.023 119.800 0.023 0.000 2.324 143 Q HA -0.012 4.328 4.340 0.001 0.000 0.207 143 Q C 2.231 178.156 176.000 -0.126 0.000 0.928 143 Q CA 0.341 56.116 55.803 -0.045 0.000 0.890 143 Q CB 0.357 29.056 28.738 -0.065 0.000 1.001 143 Q HN 0.615 nan 8.270 nan 0.000 0.517 144 I N -1.636 118.795 120.570 -0.232 0.000 2.761 144 I HA -0.062 4.108 4.170 0.001 0.000 0.261 144 I C 0.976 176.953 176.117 -0.235 0.000 1.198 144 I CA 0.750 61.789 61.300 -0.434 0.000 1.482 144 I CB -0.453 37.065 38.000 -0.803 0.000 1.100 144 I HN 0.083 nan 8.210 nan 0.000 0.445 145 N N 1.699 120.407 118.700 0.014 0.000 2.364 145 N HA -0.157 4.584 4.740 0.001 0.000 0.183 145 N C 1.744 177.354 175.510 0.167 0.000 1.022 145 N CA 1.198 54.389 53.050 0.236 0.000 0.883 145 N CB -0.081 38.565 38.487 0.265 0.000 0.965 145 N HN 0.660 nan 8.380 nan 0.000 0.438 146 Q N 0.270 120.105 119.800 0.059 0.000 2.084 146 Q HA 0.152 4.493 4.340 0.001 0.000 0.194 146 Q C 1.959 177.961 176.000 0.003 0.000 0.969 146 Q CA 0.282 56.106 55.803 0.037 0.000 0.829 146 Q CB 0.013 28.754 28.738 0.006 0.000 0.904 146 Q HN 0.121 nan 8.270 nan 0.000 0.464 147 R N -0.136 120.306 120.500 -0.097 0.000 2.185 147 R HA -0.184 4.156 4.340 0.001 0.000 0.247 147 R C 1.751 177.954 176.300 -0.163 0.000 1.159 147 R CA 1.317 57.313 56.100 -0.174 0.000 0.988 147 R CB -0.108 30.010 30.300 -0.304 0.000 0.871 147 R HN 0.231 nan 8.270 nan 0.000 0.458 148 F N 0.122 120.039 119.950 -0.055 0.000 2.118 148 F HA -0.142 4.385 4.527 0.001 0.000 0.293 148 F C 2.414 178.216 175.800 0.004 0.000 1.102 148 F CA 1.280 59.267 58.000 -0.022 0.000 1.247 148 F CB -0.041 38.959 39.000 -0.000 0.000 1.017 148 F HN 0.150 nan 8.300 nan 0.000 0.475 149 E N -0.095 120.234 120.200 0.215 0.000 2.418 149 E HA -0.131 4.219 4.350 0.001 0.000 0.197 149 E C 1.571 178.221 176.600 0.083 0.000 1.026 149 E CA 0.764 57.241 56.400 0.129 0.000 0.862 149 E CB -0.270 29.490 29.700 0.101 0.000 0.799 149 E HN 0.378 nan 8.360 nan 0.000 0.518 150 E N 1.377 121.615 120.200 0.063 0.000 2.008 150 E HA -0.104 4.247 4.350 0.001 0.000 0.191 150 E C 2.261 178.889 176.600 0.047 0.000 0.986 150 E CA 0.839 57.260 56.400 0.035 0.000 0.807 150 E CB -0.349 29.355 29.700 0.005 0.000 0.766 150 E HN 0.352 nan 8.360 nan 0.000 0.450 151 L N 0.728 121.985 121.223 0.057 0.000 2.103 151 L HA -0.296 4.045 4.340 0.001 0.000 0.215 151 L C 2.791 179.718 176.870 0.096 0.000 1.080 151 L CA 1.497 56.385 54.840 0.080 0.000 0.764 151 L CB -0.399 41.728 42.059 0.114 0.000 0.890 151 L HN 0.086 nan 8.230 nan 0.000 0.435 152 R N 0.491 121.056 120.500 0.108 0.000 2.070 152 R HA -0.196 4.145 4.340 0.001 0.000 0.232 152 R C 2.258 178.596 176.300 0.063 0.000 1.138 152 R CA 1.889 58.042 56.100 0.088 0.000 0.936 152 R CB -0.373 29.976 30.300 0.082 0.000 0.839 152 R HN 0.373 nan 8.270 nan 0.000 0.429 153 L N -0.785 120.469 121.223 0.051 0.000 2.072 153 L HA 0.091 4.431 4.340 0.001 0.000 0.205 153 L C 2.251 179.137 176.870 0.026 0.000 1.079 153 L CA 1.412 56.273 54.840 0.034 0.000 0.752 153 L CB -1.106 40.968 42.059 0.026 0.000 0.906 153 L HN 0.187 nan 8.230 nan 0.000 0.436 154 I N 0.803 121.388 120.570 0.026 0.000 2.151 154 I HA -0.284 3.886 4.170 0.001 0.000 0.243 154 I C 2.222 178.357 176.117 0.030 0.000 1.080 154 I CA 2.252 63.563 61.300 0.018 0.000 1.339 154 I CB -0.689 37.319 38.000 0.013 0.000 1.039 154 I HN 0.389 nan 8.210 nan 0.000 0.409 155 T N -0.065 114.522 114.554 0.055 0.000 2.788 155 T HA -0.226 4.124 4.350 0.001 0.000 0.268 155 T C 1.747 176.481 174.700 0.056 0.000 1.044 155 T CA 1.639 63.783 62.100 0.073 0.000 1.139 155 T CB -0.326 68.594 68.868 0.086 0.000 0.867 155 T HN 0.384 nan 8.240 nan 0.000 0.454 156 Q N 1.595 121.421 119.800 0.043 0.000 2.435 156 Q HA -0.065 4.275 4.340 0.001 0.000 0.207 156 Q C 1.493 177.504 176.000 0.019 0.000 0.956 156 Q CA 1.374 57.197 55.803 0.034 0.000 0.917 156 Q CB -0.211 28.546 28.738 0.032 0.000 0.997 156 Q HN 0.762 nan 8.270 nan 0.000 0.497 157 D N -2.877 117.528 120.400 0.008 0.000 2.380 157 D HA -0.061 4.579 4.640 0.001 0.000 0.212 157 D C 1.514 177.797 176.300 -0.029 0.000 1.021 157 D CA 1.067 55.059 54.000 -0.013 0.000 0.884 157 D CB -0.567 40.219 40.800 -0.023 0.000 1.001 157 D HN 0.197 nan 8.370 nan 0.000 0.506 158 T N -0.743 113.795 114.554 -0.027 0.000 2.759 158 T HA -0.256 4.095 4.350 0.001 0.000 0.269 158 T C 1.654 176.347 174.700 -0.012 0.000 1.042 158 T CA 1.580 63.641 62.100 -0.066 0.000 1.140 158 T CB -0.502 68.287 68.868 -0.133 0.000 0.864 158 T HN 0.300 nan 8.240 nan 0.000 0.455 159 E N 1.614 121.835 120.200 0.035 0.000 2.502 159 E HA -0.001 4.349 4.350 0.001 0.000 0.194 159 E C 1.408 178.017 176.600 0.015 0.000 1.062 159 E CA 0.369 56.792 56.400 0.038 0.000 0.867 159 E CB -0.687 29.042 29.700 0.048 0.000 0.888 159 E HN 0.405 nan 8.360 nan 0.000 0.510 160 N N 1.114 119.812 118.700 -0.002 0.000 2.250 160 N HA -0.063 4.678 4.740 0.001 0.000 0.181 160 N C 1.392 176.885 175.510 -0.027 0.000 1.017 160 N CA 0.991 54.034 53.050 -0.011 0.000 0.866 160 N CB 0.027 38.504 38.487 -0.016 0.000 0.985 160 N HN 0.227 nan 8.380 nan 0.000 0.429 161 E N 1.126 121.295 120.200 -0.052 0.000 2.031 161 E HA -0.053 4.298 4.350 0.001 0.000 0.193 161 E C 1.944 178.527 176.600 -0.027 0.000 0.994 161 E CA 0.390 56.744 56.400 -0.077 0.000 0.800 161 E CB -0.282 29.345 29.700 -0.121 0.000 0.752 161 E HN 0.116 nan 8.360 nan 0.000 0.447 162 L N 1.329 122.548 121.223 -0.006 0.000 2.021 162 L HA -0.280 4.061 4.340 0.001 0.000 0.215 162 L C 2.383 179.278 176.870 0.041 0.000 1.074 162 L CA 1.839 56.698 54.840 0.031 0.000 0.760 162 L CB -0.662 41.430 42.059 0.055 0.000 0.889 162 L HN 0.236 nan 8.230 nan 0.000 0.433 163 K N 1.381 121.800 120.400 0.031 0.000 2.002 163 K HA -0.235 4.085 4.320 0.001 0.000 0.209 163 K C 2.030 178.661 176.600 0.052 0.000 1.048 163 K CA 2.194 58.503 56.287 0.037 0.000 0.930 163 K CB -0.265 32.251 32.500 0.026 0.000 0.714 163 K HN 0.531 nan 8.250 nan 0.000 0.438 164 K N 0.939 121.366 120.400 0.046 0.000 2.057 164 K HA -0.080 4.241 4.320 0.001 0.000 0.206 164 K C 2.296 178.968 176.600 0.120 0.000 1.050 164 K CA 0.979 57.310 56.287 0.072 0.000 0.935 164 K CB -0.654 31.877 32.500 0.052 0.000 0.715 164 K HN 0.149 nan 8.250 nan 0.000 0.439 165 L N 1.190 122.482 121.223 0.114 0.000 2.447 165 L HA -0.139 4.201 4.340 0.001 0.000 0.225 165 L C 2.129 179.081 176.870 0.136 0.000 1.148 165 L CA 1.600 56.542 54.840 0.171 0.000 0.808 165 L CB -0.270 41.871 42.059 0.138 0.000 0.928 165 L HN 0.571 nan 8.230 nan 0.000 0.448 166 Q N -0.928 118.939 119.800 0.112 0.000 2.392 166 Q HA -0.089 4.251 4.340 0.001 0.000 0.219 166 Q C 1.801 177.876 176.000 0.124 0.000 0.895 166 Q CA 0.221 56.088 55.803 0.107 0.000 0.929 166 Q CB 0.443 29.231 28.738 0.083 0.000 1.077 166 Q HN 0.603 nan 8.270 nan 0.000 0.532 167 Q N -0.286 119.589 119.800 0.125 0.000 2.050 167 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 167 Q C 1.955 178.083 176.000 0.214 0.000 0.980 167 Q CA 2.131 58.018 55.803 0.141 0.000 0.840 167 Q CB -0.047 28.757 28.738 0.109 0.000 0.898 167 Q HN 0.304 nan 8.270 nan 0.000 0.424 168 T N 1.123 115.813 114.554 0.226 0.000 2.536 168 T HA -0.297 4.053 4.350 0.001 0.000 0.263 168 T C 1.757 176.628 174.700 0.285 0.000 1.115 168 T CA 1.581 63.846 62.100 0.275 0.000 1.180 168 T CB -0.481 68.509 68.868 0.204 0.000 0.864 168 T HN 0.313 nan 8.240 nan 0.000 0.419 169 Q N 0.165 120.078 119.800 0.188 0.000 2.082 169 Q HA -0.264 4.077 4.340 0.001 0.000 0.211 169 Q C 2.495 178.644 176.000 0.248 0.000 1.002 169 Q CA 2.085 57.994 55.803 0.176 0.000 0.868 169 Q CB -0.302 28.503 28.738 0.112 0.000 0.931 169 Q HN 0.466 nan 8.270 nan 0.000 0.414 170 E N -0.392 119.939 120.200 0.218 0.000 2.118 170 E HA -0.191 4.159 4.350 0.001 0.000 0.195 170 E C 1.565 178.326 176.600 0.269 0.000 0.992 170 E CA 1.357 57.879 56.400 0.203 0.000 0.804 170 E CB -0.291 29.507 29.700 0.163 0.000 0.741 170 E HN 0.507 nan 8.360 nan 0.000 0.458 171 Y N -1.113 119.289 120.300 0.170 0.000 2.153 171 Y HA -0.164 4.387 4.550 0.001 0.000 0.289 171 Y C 2.042 178.071 175.900 0.216 0.000 1.119 171 Y CA 1.196 59.394 58.100 0.163 0.000 1.116 171 Y CB -0.364 38.201 38.460 0.174 0.000 1.004 171 Y HN 0.138 nan 8.280 nan 0.000 0.501 172 F N 1.019 120.980 119.950 0.018 0.000 2.141 172 F HA -0.352 4.175 4.527 0.000 0.000 0.300 172 F C 1.903 177.722 175.800 0.032 0.000 1.079 172 F CA 1.967 59.955 58.000 -0.020 0.000 1.264 172 F CB -0.456 38.595 39.000 0.085 0.000 1.011 172 F HN 0.113 nan 8.300 nan 0.000 0.487 173 I N -0.436 120.300 120.570 0.276 0.000 2.315 173 I HA -0.244 3.926 4.170 0.001 0.000 0.248 173 I C 2.163 178.289 176.117 0.014 0.000 1.117 173 I CA 0.990 62.388 61.300 0.162 0.000 1.404 173 I CB -0.328 37.751 38.000 0.132 0.000 1.071 173 I HN 0.204 nan 8.210 nan 0.000 0.419 174 I N 0.277 120.849 120.570 0.003 0.000 3.111 174 I HA -0.185 3.986 4.170 0.001 0.000 0.272 174 I C 2.278 178.329 176.117 -0.110 0.000 1.268 174 I CA 1.271 62.558 61.300 -0.022 0.000 1.467 174 I CB -0.454 37.576 38.000 0.050 0.000 1.087 174 I HN 0.195 nan 8.210 nan 0.000 0.467 175 Q N -0.449 119.201 119.800 -0.250 0.000 2.008 175 Q HA -0.217 4.123 4.340 0.001 0.000 0.196 175 Q C 2.163 178.029 176.000 -0.224 0.000 0.973 175 Q CA 1.826 57.432 55.803 -0.328 0.000 0.826 175 Q CB -0.940 27.481 28.738 -0.528 0.000 0.894 175 Q HN 0.588 nan 8.270 nan 0.000 0.439 176 Y N 1.703 121.734 120.300 -0.448 0.000 2.205 176 Y HA -0.406 4.145 4.550 0.001 0.000 0.277 176 Y C 2.288 178.086 175.900 -0.170 0.000 1.251 176 Y CA 2.124 60.039 58.100 -0.308 0.000 1.154 176 Y CB 0.248 38.572 38.460 -0.227 0.000 0.949 176 Y HN 0.272 nan 8.280 nan 0.000 0.524 177 Q N -1.279 118.562 119.800 0.069 0.000 2.226 177 Q HA -0.132 4.209 4.340 0.001 0.000 0.199 177 Q C 2.085 178.073 176.000 -0.020 0.000 0.945 177 Q CA 0.930 56.748 55.803 0.025 0.000 0.861 177 Q CB -0.033 28.696 28.738 -0.015 0.000 0.953 177 Q HN 0.274 nan 8.270 nan 0.000 0.490 178 E N 0.457 120.621 120.200 -0.059 0.000 2.171 178 E HA -0.195 4.156 4.350 0.001 0.000 0.197 178 E C 1.823 178.374 176.600 -0.082 0.000 0.997 178 E CA 1.474 57.827 56.400 -0.078 0.000 0.810 178 E CB -0.266 29.368 29.700 -0.110 0.000 0.738 178 E HN 0.158 nan 8.360 nan 0.000 0.467 179 S N -0.975 114.677 115.700 -0.080 0.000 2.338 179 S HA -0.083 4.387 4.470 0.001 0.000 0.218 179 S C 1.833 176.407 174.600 -0.044 0.000 1.032 179 S CA 1.127 59.284 58.200 -0.072 0.000 0.999 179 S CB -0.429 62.716 63.200 -0.090 0.000 0.905 179 S HN 0.333 nan 8.310 nan 0.000 0.439 180 L N 1.240 122.459 121.223 -0.006 0.000 2.129 180 L HA -0.103 4.237 4.340 0.001 0.000 0.212 180 L C 2.617 179.475 176.870 -0.021 0.000 1.087 180 L CA 1.422 56.269 54.840 0.012 0.000 0.757 180 L CB -0.375 41.716 42.059 0.054 0.000 0.896 180 L HN 0.210 nan 8.230 nan 0.000 0.434 181 R N 0.568 121.044 120.500 -0.040 0.000 2.075 181 R HA -0.081 4.260 4.340 0.001 0.000 0.230 181 R C 1.838 178.078 176.300 -0.100 0.000 1.140 181 R CA 1.686 57.751 56.100 -0.059 0.000 0.928 181 R CB -0.594 29.671 30.300 -0.059 0.000 0.834 181 R HN 0.479 nan 8.270 nan 0.000 0.429 182 I N -0.685 119.808 120.570 -0.128 0.000 3.535 182 I HA -0.017 4.154 4.170 0.001 0.000 0.307 182 I C 0.830 176.747 176.117 -0.333 0.000 1.200 182 I CA 0.649 61.821 61.300 -0.213 0.000 1.193 182 I CB 0.141 38.029 38.000 -0.187 0.000 1.003 182 I HN 0.201 nan 8.210 nan 0.000 0.505 183 Q N 1.516 121.185 119.800 -0.219 0.000 2.620 183 Q HA 0.297 4.637 4.340 0.001 0.000 0.232 183 Q C 2.138 178.108 176.000 -0.050 0.000 0.836 183 Q CA 1.087 56.813 55.803 -0.128 0.000 0.938 183 Q CB 0.374 29.118 28.738 0.010 0.000 1.242 183 Q HN 0.610 nan 8.270 nan 0.000 0.624 184 A N 1.273 124.074 122.820 -0.032 0.000 2.248 184 A HA -0.093 4.228 4.320 0.001 0.000 0.210 184 A C 1.636 179.195 177.584 -0.040 0.000 1.174 184 A CA 0.693 52.729 52.037 -0.001 0.000 0.750 184 A CB -0.119 18.880 19.000 -0.000 0.000 0.780 184 A HN 0.198 nan 8.150 nan 0.000 0.478 185 Q N -1.386 118.327 119.800 -0.145 0.000 2.389 185 Q HA 0.055 4.396 4.340 0.001 0.000 0.204 185 Q C 1.161 177.061 176.000 -0.166 0.000 0.944 185 Q CA 0.751 56.441 55.803 -0.189 0.000 0.908 185 Q CB -0.195 28.372 28.738 -0.286 0.000 1.002 185 Q HN 0.865 nan 8.270 nan 0.000 0.493 186 F N 0.154 120.100 119.950 -0.006 0.000 2.149 186 F HA -0.045 4.482 4.527 0.000 0.000 0.294 186 F C 2.277 178.074 175.800 -0.004 0.000 1.095 186 F CA 0.573 58.569 58.000 -0.006 0.000 1.276 186 F CB -0.119 38.878 39.000 -0.006 0.000 1.023 186 F HN 0.021 nan 8.300 nan 0.000 0.480 187 A N -0.697 122.237 122.820 0.191 0.000 2.178 187 A HA -0.177 4.143 4.320 0.001 0.000 0.218 187 A C 1.746 179.368 177.584 0.064 0.000 1.157 187 A CA 1.301 53.399 52.037 0.102 0.000 0.689 187 A CB -0.525 18.519 19.000 0.074 0.000 0.787 187 A HN 0.510 nan 8.150 nan 0.000 0.465 188 Q N -1.016 118.816 119.800 0.053 0.000 2.194 188 Q HA 0.180 4.520 4.340 0.001 0.000 0.214 188 Q C 0.938 176.955 176.000 0.028 0.000 0.838 188 Q CA -0.170 55.649 55.803 0.027 0.000 0.972 188 Q CB 0.310 29.050 28.738 0.003 0.000 1.131 188 Q HN 0.722 nan 8.270 nan 0.000 0.498 189 L N -3.378 117.878 121.223 0.056 0.000 2.622 189 L HA 0.250 4.590 4.340 0.001 0.000 0.233 189 L C 1.713 178.608 176.870 0.042 0.000 1.156 189 L CA 1.084 55.956 54.840 0.055 0.000 0.866 189 L CB -0.883 41.234 42.059 0.097 0.000 0.980 189 L HN -0.024 nan 8.230 nan 0.000 0.448 190 G N -0.393 108.429 108.800 0.036 0.000 2.516 190 G HA2 -0.213 3.747 3.960 0.001 0.000 0.221 190 G HA3 -0.213 3.747 3.960 0.001 0.000 0.221 190 G C 0.746 175.657 174.900 0.018 0.000 1.107 190 G CA 0.217 45.332 45.100 0.026 0.000 0.747 190 G HN 0.579 nan 8.290 nan 0.000 0.567 191 Q N -0.209 119.600 119.800 0.016 0.000 2.389 191 Q HA 0.602 4.942 4.340 0.001 0.000 0.244 191 Q C -0.894 175.114 176.000 0.013 0.000 1.056 191 Q CA -0.037 55.773 55.803 0.011 0.000 0.908 191 Q CB 1.177 29.919 28.738 0.007 0.000 1.273 191 Q HN 0.232 nan 8.270 nan 0.000 0.471 192 L N 3.756 124.986 121.223 0.013 0.000 2.471 192 L HA 0.310 4.650 4.340 0.001 0.000 0.263 192 L C -0.463 176.414 176.870 0.011 0.000 0.985 192 L CA -0.754 54.095 54.840 0.015 0.000 0.868 192 L CB 0.916 42.987 42.059 0.019 0.000 1.203 192 L HN 0.649 nan 8.230 nan 0.000 0.429 193 N N 4.695 123.401 118.700 0.010 0.000 2.267 193 N HA 0.340 5.080 4.740 0.001 0.000 0.269 193 N C -2.252 173.263 175.510 0.008 0.000 1.287 193 N CA -0.704 52.351 53.050 0.008 0.000 0.916 193 N CB -0.655 37.836 38.487 0.006 0.000 1.052 193 N HN 0.186 nan 8.380 nan 0.000 0.496 194 P HA 0.084 nan 4.420 nan 0.000 0.200 194 P C 0.940 178.245 177.300 0.008 0.000 1.204 194 P CA 1.075 64.179 63.100 0.007 0.000 0.886 194 P CB -0.082 31.621 31.700 0.005 0.000 0.718 195 Q N -0.140 119.664 119.800 0.007 0.000 2.119 195 Q HA -0.145 4.195 4.340 0.001 0.000 0.201 195 Q C 1.975 177.982 176.000 0.011 0.000 0.972 195 Q CA 1.494 57.302 55.803 0.008 0.000 0.847 195 Q CB -0.601 28.141 28.738 0.006 0.000 0.903 195 Q HN 0.349 nan 8.270 nan 0.000 0.433 196 E N 0.217 120.423 120.200 0.010 0.000 2.216 196 E HA -0.025 4.326 4.350 0.001 0.000 0.192 196 E C 1.175 177.785 176.600 0.016 0.000 0.988 196 E CA 0.666 57.072 56.400 0.011 0.000 0.834 196 E CB 0.188 29.892 29.700 0.008 0.000 0.772 196 E HN 0.148 nan 8.360 nan 0.000 0.479 197 R N -0.551 119.960 120.500 0.018 0.000 2.432 197 R HA 0.268 4.608 4.340 0.001 0.000 0.260 197 R C 1.301 177.621 176.300 0.035 0.000 0.935 197 R CA -0.129 55.987 56.100 0.027 0.000 1.080 197 R CB 0.287 30.601 30.300 0.023 0.000 1.155 197 R HN 0.114 nan 8.270 nan 0.000 0.531 198 M N 0.008 119.624 119.600 0.027 0.000 2.115 198 M HA -0.045 4.435 4.480 0.001 0.000 0.261 198 M C 1.932 178.253 176.300 0.034 0.000 1.079 198 M CA 1.674 56.991 55.300 0.027 0.000 1.143 198 M CB -0.654 31.956 32.600 0.016 0.000 1.332 198 M HN 0.013 nan 8.290 nan 0.000 0.421 199 S N -0.270 115.446 115.700 0.027 0.000 2.786 199 S HA 0.067 4.538 4.470 0.001 0.000 0.223 199 S C 1.387 176.007 174.600 0.032 0.000 0.956 199 S CA 0.239 58.455 58.200 0.027 0.000 0.961 199 S CB -0.343 62.867 63.200 0.018 0.000 0.784 199 S HN 0.415 nan 8.310 nan 0.000 0.519 200 R N -0.103 120.423 120.500 0.043 0.000 2.509 200 R HA 0.259 4.599 4.340 0.001 0.000 0.297 200 R C 1.294 177.648 176.300 0.090 0.000 0.951 200 R CA 0.078 56.205 56.100 0.045 0.000 1.103 200 R CB 0.199 30.512 30.300 0.022 0.000 1.283 200 R HN 0.487 nan 8.270 nan 0.000 0.534 201 E N 0.094 120.372 120.200 0.131 0.000 2.209 201 E HA -0.173 4.177 4.350 0.001 0.000 0.196 201 E C 1.422 178.158 176.600 0.226 0.000 0.993 201 E CA 1.456 58.006 56.400 0.249 0.000 0.819 201 E CB 0.085 29.866 29.700 0.135 0.000 0.745 201 E HN 0.089 nan 8.360 nan 0.000 0.477 202 T N 0.041 114.664 114.554 0.116 0.000 2.668 202 T HA -0.077 4.273 4.350 0.001 0.000 0.258 202 T C 1.938 176.684 174.700 0.077 0.000 1.051 202 T CA 1.309 63.458 62.100 0.081 0.000 1.155 202 T CB -0.201 68.695 68.868 0.047 0.000 0.864 202 T HN 0.244 nan 8.240 nan 0.000 0.413 203 A N 0.849 123.699 122.820 0.050 0.000 2.024 203 A HA -0.008 4.312 4.320 0.001 0.000 0.220 203 A C 2.298 179.894 177.584 0.019 0.000 1.164 203 A CA 1.329 53.382 52.037 0.026 0.000 0.643 203 A CB -0.811 18.193 19.000 0.006 0.000 0.806 203 A HN 0.564 nan 8.150 nan 0.000 0.451 204 L N -1.510 119.732 121.223 0.031 0.000 1.988 204 L HA -0.225 4.115 4.340 0.001 0.000 0.207 204 L C 2.908 179.842 176.870 0.107 0.000 1.071 204 L CA 1.700 56.518 54.840 -0.036 0.000 0.744 204 L CB -0.647 41.275 42.059 -0.230 0.000 0.893 204 L HN 0.428 nan 8.230 nan 0.000 0.433 205 Q N -0.434 119.555 119.800 0.315 0.000 2.096 205 Q HA -0.281 4.059 4.340 0.001 0.000 0.204 205 Q C 2.256 178.333 176.000 0.129 0.000 0.982 205 Q CA 1.725 57.701 55.803 0.288 0.000 0.850 205 Q CB -0.060 28.788 28.738 0.183 0.000 0.901 205 Q HN 0.508 nan 8.270 nan 0.000 0.422 206 Q N 0.184 120.035 119.800 0.084 0.000 2.124 206 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 206 Q C 1.692 177.710 176.000 0.029 0.000 0.977 206 Q CA 1.075 56.906 55.803 0.047 0.000 0.850 206 Q CB 0.051 28.810 28.738 0.034 0.000 0.901 206 Q HN 0.208 nan 8.270 nan 0.000 0.429 207 K N 0.190 120.599 120.400 0.015 0.000 2.365 207 K HA -0.120 4.201 4.320 0.001 0.000 0.199 207 K C 1.913 178.506 176.600 -0.011 0.000 1.045 207 K CA 0.713 56.992 56.287 -0.012 0.000 0.962 207 K CB 0.153 32.627 32.500 -0.042 0.000 0.759 207 K HN 0.207 nan 8.250 nan 0.000 0.469 208 Q N -0.063 119.749 119.800 0.019 0.000 2.089 208 Q HA -0.045 4.295 4.340 0.001 0.000 0.195 208 Q C 2.034 178.052 176.000 0.030 0.000 0.963 208 Q CA 0.698 56.517 55.803 0.027 0.000 0.834 208 Q CB 0.281 29.069 28.738 0.083 0.000 0.906 208 Q HN 0.044 nan 8.270 nan 0.000 0.452 209 V N 1.151 121.089 119.914 0.041 0.000 2.324 209 V HA -0.317 3.804 4.120 0.001 0.000 0.250 209 V C 2.377 178.493 176.094 0.037 0.000 1.060 209 V CA 2.202 64.523 62.300 0.036 0.000 1.042 209 V CB -0.706 31.138 31.823 0.035 0.000 0.650 209 V HN 0.511 nan 8.190 nan 0.000 0.450 210 S N -0.526 115.196 115.700 0.036 0.000 2.355 210 S HA -0.129 4.342 4.470 0.001 0.000 0.222 210 S C 2.005 176.645 174.600 0.066 0.000 1.031 210 S CA 1.332 59.562 58.200 0.050 0.000 0.993 210 S CB -0.573 62.647 63.200 0.034 0.000 0.859 210 S HN 0.461 nan 8.310 nan 0.000 0.453 211 L N 1.340 122.578 121.223 0.024 0.000 1.961 211 L HA -0.129 4.211 4.340 0.001 0.000 0.210 211 L C 2.988 179.885 176.870 0.045 0.000 1.072 211 L CA 2.106 56.951 54.840 0.009 0.000 0.749 211 L CB -0.746 41.280 42.059 -0.055 0.000 0.889 211 L HN 0.378 nan 8.230 nan 0.000 0.432 212 E N -0.918 119.289 120.200 0.013 0.000 2.233 212 E HA -0.222 4.128 4.350 0.001 0.000 0.199 212 E C 1.920 178.540 176.600 0.033 0.000 1.004 212 E CA 1.731 58.132 56.400 0.003 0.000 0.819 212 E CB -0.016 29.682 29.700 -0.004 0.000 0.738 212 E HN 0.471 nan 8.360 nan 0.000 0.478 213 T N 0.091 114.682 114.554 0.062 0.000 2.698 213 T HA -0.167 4.183 4.350 0.001 0.000 0.260 213 T C 1.201 175.964 174.700 0.105 0.000 1.044 213 T CA 0.971 63.112 62.100 0.069 0.000 1.149 213 T CB -0.352 68.558 68.868 0.070 0.000 0.864 213 T HN 0.424 nan 8.240 nan 0.000 0.419 214 W N 1.964 123.247 121.300 -0.028 0.000 2.317 214 W HA -0.171 4.489 4.660 0.000 0.000 0.318 214 W C 1.792 178.303 176.519 -0.013 0.000 1.227 214 W CA 1.193 58.525 57.345 -0.021 0.000 1.269 214 W CB -0.921 28.516 29.460 -0.039 0.000 1.155 214 W HN 0.256 nan 8.180 nan 0.000 0.484 215 L N 0.569 121.928 121.223 0.226 0.000 2.042 215 L HA -0.304 4.037 4.340 0.001 0.000 0.210 215 L C 2.764 179.713 176.870 0.131 0.000 1.076 215 L CA 2.127 57.029 54.840 0.105 0.000 0.749 215 L CB -1.152 40.858 42.059 -0.082 0.000 0.893 215 L HN 0.045 nan 8.230 nan 0.000 0.432 216 Q N 0.146 119.973 119.800 0.046 0.000 2.079 216 Q HA -0.218 4.122 4.340 0.001 0.000 0.200 216 Q C 2.251 178.236 176.000 -0.025 0.000 0.974 216 Q CA 1.615 57.428 55.803 0.017 0.000 0.840 216 Q CB -0.118 28.617 28.738 -0.005 0.000 0.898 216 Q HN 0.182 nan 8.270 nan 0.000 0.430 217 R N 0.011 120.464 120.500 -0.077 0.000 2.092 217 R HA -0.026 4.314 4.340 0.001 0.000 0.231 217 R C 1.940 178.095 176.300 -0.242 0.000 1.119 217 R CA 1.671 57.672 56.100 -0.164 0.000 0.970 217 R CB -0.127 30.047 30.300 -0.210 0.000 0.864 217 R HN 0.365 nan 8.270 nan 0.000 0.440 218 E N -0.948 119.093 120.200 -0.265 0.000 2.299 218 E HA -0.010 4.340 4.350 0.001 0.000 0.193 218 E C 1.651 178.141 176.600 -0.183 0.000 0.998 218 E CA 0.550 56.790 56.400 -0.267 0.000 0.851 218 E CB 0.089 29.658 29.700 -0.219 0.000 0.795 218 E HN 0.437 nan 8.360 nan 0.000 0.492 219 A N 1.575 124.354 122.820 -0.067 0.000 1.873 219 A HA -0.308 4.012 4.320 0.001 0.000 0.218 219 A C 2.144 179.597 177.584 -0.219 0.000 1.193 219 A CA 2.170 54.086 52.037 -0.202 0.000 0.629 219 A CB -0.743 18.231 19.000 -0.042 0.000 0.826 219 A HN 0.329 nan 8.150 nan 0.000 0.447 220 Q N -0.788 118.915 119.800 -0.162 0.000 2.224 220 Q HA -0.066 4.274 4.340 0.001 0.000 0.203 220 Q C 1.597 177.472 176.000 -0.208 0.000 0.970 220 Q CA 2.342 58.053 55.803 -0.153 0.000 0.865 220 Q CB -1.436 27.235 28.738 -0.112 0.000 0.922 220 Q HN 0.420 nan 8.270 nan 0.000 0.445 221 T N 0.767 115.145 114.554 -0.293 0.000 2.708 221 T HA -0.071 4.279 4.350 0.001 0.000 0.266 221 T C 1.440 175.801 174.700 -0.565 0.000 1.037 221 T CA 1.245 63.058 62.100 -0.478 0.000 1.146 221 T CB -0.332 68.219 68.868 -0.529 0.000 0.865 221 T HN 0.243 nan 8.240 nan 0.000 0.435 222 L N 1.160 122.131 121.223 -0.420 0.000 2.083 222 L HA -0.040 4.301 4.340 0.001 0.000 0.209 222 L C 2.485 179.239 176.870 -0.194 0.000 1.083 222 L CA 1.810 56.455 54.840 -0.325 0.000 0.752 222 L CB -0.811 40.995 42.059 -0.422 0.000 0.899 222 L HN 0.221 nan 8.230 nan 0.000 0.433 223 Q N -1.036 118.657 119.800 -0.178 0.000 2.083 223 Q HA -0.230 4.111 4.340 0.001 0.000 0.198 223 Q C 2.292 178.264 176.000 -0.048 0.000 0.969 223 Q CA 1.893 57.637 55.803 -0.098 0.000 0.838 223 Q CB -0.222 28.461 28.738 -0.092 0.000 0.900 223 Q HN 0.645 nan 8.270 nan 0.000 0.436 224 Q N -0.924 118.841 119.800 -0.059 0.000 1.993 224 Q HA -0.215 4.125 4.340 0.001 0.000 0.202 224 Q C 1.906 177.983 176.000 0.128 0.000 0.984 224 Q CA 1.726 57.540 55.803 0.017 0.000 0.837 224 Q CB -0.428 28.316 28.738 0.010 0.000 0.902 224 Q HN 0.647 nan 8.270 nan 0.000 0.423 225 Y N -0.097 120.174 120.300 -0.048 0.000 2.151 225 Y HA -0.323 4.227 4.550 0.001 0.000 0.284 225 Y C 2.757 178.634 175.900 -0.039 0.000 1.166 225 Y CA 0.933 59.009 58.100 -0.040 0.000 1.163 225 Y CB -0.060 38.380 38.460 -0.034 0.000 0.974 225 Y HN 0.191 nan 8.280 nan 0.000 0.511 226 R N 0.202 120.782 120.500 0.134 0.000 2.094 226 R HA -0.182 4.158 4.340 0.001 0.000 0.239 226 R C 2.137 178.461 176.300 0.039 0.000 1.137 226 R CA 1.806 57.943 56.100 0.062 0.000 0.943 226 R CB -0.914 29.400 30.300 0.023 0.000 0.850 226 R HN 0.128 nan 8.270 nan 0.000 0.433 227 V N 1.393 121.326 119.914 0.031 0.000 2.332 227 V HA -0.266 3.854 4.120 0.001 0.000 0.248 227 V C 2.122 178.221 176.094 0.009 0.000 1.055 227 V CA 2.096 64.406 62.300 0.018 0.000 1.038 227 V CB -0.555 31.276 31.823 0.013 0.000 0.651 227 V HN 0.411 nan 8.190 nan 0.000 0.450 228 E N -0.029 120.181 120.200 0.016 0.000 2.058 228 E HA -0.230 4.120 4.350 0.001 0.000 0.194 228 E C 2.237 178.801 176.600 -0.061 0.000 0.997 228 E CA 1.405 57.795 56.400 -0.017 0.000 0.801 228 E CB -0.363 29.325 29.700 -0.020 0.000 0.746 228 E HN 0.451 nan 8.360 nan 0.000 0.450 229 L N 0.639 121.822 121.223 -0.067 0.000 2.156 229 L HA -0.017 4.323 4.340 0.001 0.000 0.208 229 L C 2.227 179.002 176.870 -0.157 0.000 1.095 229 L CA 1.436 56.188 54.840 -0.146 0.000 0.770 229 L CB -0.679 41.318 42.059 -0.103 0.000 0.914 229 L HN -0.012 nan 8.230 nan 0.000 0.439 230 A N 0.769 123.574 122.820 -0.025 0.000 1.897 230 A HA -0.201 4.120 4.320 0.001 0.000 0.215 230 A C 1.973 179.575 177.584 0.030 0.000 1.181 230 A CA 1.328 53.396 52.037 0.052 0.000 0.620 230 A CB -0.456 18.577 19.000 0.055 0.000 0.821 230 A HN 0.714 nan 8.150 nan 0.000 0.443 231 E N -0.592 119.604 120.200 -0.006 0.000 2.481 231 E HA -0.058 4.293 4.350 0.001 0.000 0.195 231 E C 1.589 178.172 176.600 -0.029 0.000 1.047 231 E CA 0.961 57.358 56.400 -0.006 0.000 0.867 231 E CB -0.080 29.615 29.700 -0.008 0.000 0.858 231 E HN 0.491 nan 8.360 nan 0.000 0.513 232 K N 0.458 120.807 120.400 -0.085 0.000 2.116 232 K HA -0.026 4.294 4.320 0.001 0.000 0.203 232 K C 1.653 178.191 176.600 -0.103 0.000 1.052 232 K CA 1.141 57.351 56.287 -0.127 0.000 0.952 232 K CB -0.003 32.370 32.500 -0.212 0.000 0.729 232 K HN 0.282 nan 8.250 nan 0.000 0.446 233 H N -0.727 118.338 119.070 -0.009 0.000 2.299 233 H HA -0.083 4.474 4.556 0.001 0.000 0.302 233 H C 2.016 177.340 175.328 -0.006 0.000 1.078 233 H CA 1.396 57.439 56.048 -0.007 0.000 1.323 233 H CB 0.081 29.838 29.762 -0.009 0.000 1.381 233 H HN 0.133 nan 8.280 nan 0.000 0.498 234 Q N 0.647 120.519 119.800 0.119 0.000 2.231 234 Q HA -0.315 4.025 4.340 0.001 0.000 0.217 234 Q C 2.048 178.072 176.000 0.040 0.000 1.013 234 Q CA 2.371 58.209 55.803 0.058 0.000 0.917 234 Q CB 0.011 28.769 28.738 0.032 0.000 0.968 234 Q HN 0.126 nan 8.270 nan 0.000 0.414 235 K N -1.176 119.242 120.400 0.030 0.000 2.021 235 K HA -0.053 4.268 4.320 0.001 0.000 0.205 235 K C 2.117 178.730 176.600 0.022 0.000 1.047 235 K CA 1.707 58.001 56.287 0.013 0.000 0.943 235 K CB -0.844 31.652 32.500 -0.007 0.000 0.725 235 K HN 0.309 nan 8.250 nan 0.000 0.439 236 T N 0.297 114.876 114.554 0.042 0.000 2.684 236 T HA -0.151 4.199 4.350 0.001 0.000 0.267 236 T C 1.858 176.585 174.700 0.046 0.000 1.036 236 T CA 1.719 63.850 62.100 0.051 0.000 1.148 236 T CB -0.330 68.589 68.868 0.085 0.000 0.863 236 T HN 0.195 nan 8.240 nan 0.000 0.436 237 L N 0.482 121.739 121.223 0.057 0.000 1.971 237 L HA -0.157 4.183 4.340 0.001 0.000 0.215 237 L C 3.110 179.990 176.870 0.016 0.000 1.072 237 L CA 1.945 56.807 54.840 0.036 0.000 0.758 237 L CB -0.892 41.187 42.059 0.034 0.000 0.889 237 L HN 0.317 nan 8.230 nan 0.000 0.433 238 Q N 0.154 119.961 119.800 0.012 0.000 2.082 238 Q HA -0.278 4.063 4.340 0.001 0.000 0.211 238 Q C 2.057 178.047 176.000 -0.017 0.000 1.002 238 Q CA 2.128 57.929 55.803 -0.003 0.000 0.868 238 Q CB -0.690 28.046 28.738 -0.004 0.000 0.931 238 Q HN 0.365 nan 8.270 nan 0.000 0.414 239 L N -0.515 120.697 121.223 -0.018 0.000 2.046 239 L HA -0.105 4.236 4.340 0.001 0.000 0.208 239 L C 2.040 178.878 176.870 -0.053 0.000 1.077 239 L CA 1.532 56.348 54.840 -0.040 0.000 0.747 239 L CB -0.811 41.227 42.059 -0.035 0.000 0.896 239 L HN 0.406 nan 8.230 nan 0.000 0.432 240 L N -0.367 120.842 121.223 -0.024 0.000 2.083 240 L HA -0.154 4.187 4.340 0.001 0.000 0.209 240 L C 2.670 179.523 176.870 -0.028 0.000 1.083 240 L CA 1.696 56.525 54.840 -0.018 0.000 0.752 240 L CB -0.774 41.301 42.059 0.026 0.000 0.899 240 L HN 0.295 nan 8.230 nan 0.000 0.433 241 R N -0.509 119.979 120.500 -0.020 0.000 2.148 241 R HA -0.172 4.168 4.340 0.001 0.000 0.227 241 R C 2.205 178.478 176.300 -0.045 0.000 1.103 241 R CA 1.244 57.331 56.100 -0.021 0.000 0.983 241 R CB -0.185 30.109 30.300 -0.011 0.000 0.874 241 R HN 0.215 nan 8.270 nan 0.000 0.451 242 K N 0.146 120.508 120.400 -0.064 0.000 1.984 242 K HA -0.138 4.182 4.320 0.001 0.000 0.209 242 K C 1.986 178.505 176.600 -0.135 0.000 1.046 242 K CA 1.831 58.064 56.287 -0.090 0.000 0.934 242 K CB -0.442 32.002 32.500 -0.093 0.000 0.717 242 K HN 0.084 nan 8.250 nan 0.000 0.438 243 Q N 0.738 120.428 119.800 -0.183 0.000 2.014 243 Q HA -0.270 4.071 4.340 0.001 0.000 0.207 243 Q C 2.161 178.035 176.000 -0.209 0.000 0.993 243 Q CA 2.523 58.153 55.803 -0.289 0.000 0.850 243 Q CB -0.546 27.956 28.738 -0.393 0.000 0.916 243 Q HN 0.446 nan 8.270 nan 0.000 0.417 244 Q N -0.765 118.968 119.800 -0.112 0.000 2.047 244 Q HA -0.230 4.110 4.340 0.001 0.000 0.211 244 Q C 1.954 177.923 176.000 -0.053 0.000 1.005 244 Q CA 3.029 58.804 55.803 -0.046 0.000 0.866 244 Q CB -0.865 27.865 28.738 -0.012 0.000 0.938 244 Q HN 0.508 nan 8.270 nan 0.000 0.414 245 T N 0.843 115.362 114.554 -0.058 0.000 2.635 245 T HA -0.171 4.180 4.350 0.001 0.000 0.267 245 T C 1.681 176.341 174.700 -0.068 0.000 1.040 245 T CA 1.567 63.637 62.100 -0.050 0.000 1.156 245 T CB -0.308 68.530 68.868 -0.049 0.000 0.863 245 T HN 0.212 nan 8.240 nan 0.000 0.430 246 I N 1.109 121.612 120.570 -0.111 0.000 2.127 246 I HA -0.127 4.044 4.170 0.001 0.000 0.241 246 I C 2.385 178.421 176.117 -0.134 0.000 1.075 246 I CA 0.978 62.195 61.300 -0.137 0.000 1.334 246 I CB -1.286 36.592 38.000 -0.203 0.000 1.040 246 I HN 0.227 nan 8.210 nan 0.000 0.405 247 I N 0.062 120.537 120.570 -0.158 0.000 2.076 247 I HA -0.293 3.877 4.170 0.001 0.000 0.237 247 I C 2.582 178.698 176.117 -0.002 0.000 1.059 247 I CA 1.600 62.839 61.300 -0.101 0.000 1.317 247 I CB -1.173 36.790 38.000 -0.061 0.000 1.037 247 I HN 0.164 nan 8.210 nan 0.000 0.398 248 L N 0.706 121.931 121.223 0.003 0.000 2.005 248 L HA -0.195 4.146 4.340 0.001 0.000 0.207 248 L C 2.207 179.094 176.870 0.028 0.000 1.072 248 L CA 1.845 56.701 54.840 0.026 0.000 0.744 248 L CB -0.998 41.074 42.059 0.022 0.000 0.895 248 L HN 0.277 nan 8.230 nan 0.000 0.433 249 D N -1.231 119.173 120.400 0.007 0.000 2.249 249 D HA -0.095 4.545 4.640 0.001 0.000 0.205 249 D C 1.371 177.682 176.300 0.017 0.000 0.962 249 D CA 0.783 54.791 54.000 0.012 0.000 0.860 249 D CB 0.168 40.968 40.800 -0.000 0.000 0.955 249 D HN 0.327 nan 8.370 nan 0.000 0.505 250 D N 0.486 120.888 120.400 0.004 0.000 2.584 250 D HA -0.043 4.597 4.640 0.001 0.000 0.254 250 D C 2.032 178.363 176.300 0.051 0.000 1.085 250 D CA 0.458 54.466 54.000 0.013 0.000 0.971 250 D CB 0.015 40.802 40.800 -0.022 0.000 1.103 250 D HN -0.109 nan 8.370 nan 0.000 0.453 251 E N 0.869 121.096 120.200 0.046 0.000 2.049 251 E HA -0.163 4.188 4.350 0.001 0.000 0.198 251 E C 2.225 178.939 176.600 0.189 0.000 1.007 251 E CA 0.569 57.044 56.400 0.126 0.000 0.809 251 E CB -0.508 29.272 29.700 0.135 0.000 0.749 251 E HN 0.188 nan 8.360 nan 0.000 0.450 252 L N 0.464 121.775 121.223 0.147 0.000 2.023 252 L HA -0.103 4.237 4.340 0.001 0.000 0.205 252 L C 2.167 179.165 176.870 0.213 0.000 1.073 252 L CA 1.112 56.048 54.840 0.160 0.000 0.745 252 L CB -0.417 41.695 42.059 0.087 0.000 0.900 252 L HN 0.014 nan 8.230 nan 0.000 0.435 253 I N 0.132 120.786 120.570 0.141 0.000 2.145 253 I HA -0.380 3.791 4.170 0.001 0.000 0.244 253 I C 2.611 178.806 176.117 0.131 0.000 1.075 253 I CA 1.692 63.063 61.300 0.118 0.000 1.332 253 I CB -1.346 36.697 38.000 0.072 0.000 1.033 253 I HN 0.585 nan 8.210 nan 0.000 0.410 254 Q N -0.771 119.114 119.800 0.142 0.000 2.020 254 Q HA -0.271 4.070 4.340 0.001 0.000 0.202 254 Q C 2.372 178.476 176.000 0.174 0.000 0.982 254 Q CA 2.120 58.005 55.803 0.137 0.000 0.838 254 Q CB -0.351 28.472 28.738 0.143 0.000 0.899 254 Q HN 0.594 nan 8.270 nan 0.000 0.423 255 W N 1.505 122.837 121.300 0.052 0.000 2.350 255 W HA -0.188 4.472 4.660 0.001 0.000 0.289 255 W C 1.828 178.358 176.519 0.017 0.000 1.215 255 W CA 1.383 58.752 57.345 0.040 0.000 1.236 255 W CB 0.130 29.619 29.460 0.049 0.000 1.130 255 W HN 0.026 nan 8.180 nan 0.000 0.541 256 K N 0.107 120.714 120.400 0.346 0.000 2.002 256 K HA -0.242 4.078 4.320 0.001 0.000 0.209 256 K C 2.156 178.719 176.600 -0.061 0.000 1.048 256 K CA 1.935 58.312 56.287 0.149 0.000 0.930 256 K CB -0.490 32.139 32.500 0.216 0.000 0.714 256 K HN 0.134 nan 8.250 nan 0.000 0.438 257 R N 1.326 121.817 120.500 -0.016 0.000 2.096 257 R HA -0.165 4.176 4.340 0.001 0.000 0.235 257 R C 2.224 178.455 176.300 -0.116 0.000 1.127 257 R CA 1.502 57.571 56.100 -0.052 0.000 0.968 257 R CB -0.187 30.103 30.300 -0.017 0.000 0.861 257 R HN -0.043 nan 8.270 nan 0.000 0.440 258 R N 0.651 121.066 120.500 -0.143 0.000 2.113 258 R HA -0.236 4.105 4.340 0.001 0.000 0.244 258 R C 2.387 178.512 176.300 -0.291 0.000 1.142 258 R CA 2.420 58.399 56.100 -0.202 0.000 0.953 258 R CB -0.411 29.750 30.300 -0.232 0.000 0.860 258 R HN 0.510 nan 8.270 nan 0.000 0.438 259 Q N -0.167 119.362 119.800 -0.451 0.000 2.020 259 Q HA -0.273 4.067 4.340 0.001 0.000 0.202 259 Q C 2.178 178.037 176.000 -0.236 0.000 0.982 259 Q CA 2.026 57.571 55.803 -0.430 0.000 0.838 259 Q CB -0.131 28.252 28.738 -0.592 0.000 0.899 259 Q HN 0.511 nan 8.270 nan 0.000 0.423 260 Q N -0.132 119.561 119.800 -0.178 0.000 2.112 260 Q HA -0.182 4.158 4.340 0.001 0.000 0.206 260 Q C 2.068 178.000 176.000 -0.112 0.000 0.987 260 Q CA 1.420 57.156 55.803 -0.113 0.000 0.858 260 Q CB -0.040 28.652 28.738 -0.077 0.000 0.905 260 Q HN 0.472 nan 8.270 nan 0.000 0.420 261 L N -0.453 120.698 121.223 -0.120 0.000 2.240 261 L HA -0.028 4.313 4.340 0.001 0.000 0.211 261 L C 2.388 179.199 176.870 -0.098 0.000 1.106 261 L CA 0.593 55.368 54.840 -0.108 0.000 0.793 261 L CB -0.524 41.478 42.059 -0.096 0.000 0.927 261 L HN 0.267 nan 8.230 nan 0.000 0.446 262 A N 0.594 123.343 122.820 -0.118 0.000 2.024 262 A HA -0.158 4.163 4.320 0.001 0.000 0.220 262 A C 2.359 179.896 177.584 -0.078 0.000 1.164 262 A CA 1.618 53.592 52.037 -0.104 0.000 0.643 262 A CB -1.013 17.902 19.000 -0.142 0.000 0.806 262 A HN 0.449 nan 8.150 nan 0.000 0.451 263 G N 0.449 109.200 108.800 -0.081 0.000 2.491 263 G HA2 -0.290 3.671 3.960 0.001 0.000 0.218 263 G HA3 -0.290 3.671 3.960 0.001 0.000 0.218 263 G C 0.977 175.856 174.900 -0.035 0.000 1.180 263 G CA 1.009 46.074 45.100 -0.058 0.000 0.774 263 G HN 0.575 nan 8.290 nan 0.000 0.562 264 N N 1.242 119.916 118.700 -0.043 0.000 2.410 264 N HA 0.223 4.963 4.740 0.001 0.000 0.231 264 N C 1.323 176.836 175.510 0.005 0.000 1.172 264 N CA 0.647 53.690 53.050 -0.011 0.000 0.849 264 N CB -0.166 38.292 38.487 -0.048 0.000 1.116 264 N HN 0.454 nan 8.380 nan 0.000 0.485 265 G N -0.322 108.472 108.800 -0.010 0.000 2.273 265 G HA2 -0.234 3.727 3.960 0.001 0.000 0.280 265 G HA3 -0.234 3.727 3.960 0.001 0.000 0.280 265 G C 0.616 175.506 174.900 -0.017 0.000 1.047 265 G CA 0.194 45.287 45.100 -0.011 0.000 0.869 265 G HN 0.598 nan 8.290 nan 0.000 0.502 266 G N -0.059 108.718 108.800 -0.037 0.000 2.651 266 G HA2 0.639 4.600 3.960 0.001 0.000 0.260 266 G HA3 0.639 4.600 3.960 0.001 0.000 0.260 266 G C -1.398 173.473 174.900 -0.049 0.000 1.216 266 G CA -0.417 44.657 45.100 -0.043 0.000 0.913 266 G HN 0.338 nan 8.290 nan 0.000 0.535 267 P HA 0.229 nan 4.420 nan 0.000 0.271 267 P C -2.608 174.646 177.300 -0.077 0.000 1.216 267 P CA -1.155 61.918 63.100 -0.046 0.000 0.776 267 P CB 0.406 32.087 31.700 -0.031 0.000 0.881 268 P HA -0.016 nan 4.420 nan 0.000 0.264 268 P C 0.873 178.090 177.300 -0.138 0.000 1.183 268 P CA 0.425 63.467 63.100 -0.098 0.000 0.763 268 P CB 0.301 31.968 31.700 -0.055 0.000 0.807 269 E N 2.148 122.192 120.200 -0.260 0.000 2.086 269 E HA -0.072 4.279 4.350 0.001 0.000 0.205 269 E C 1.228 177.728 176.600 -0.167 0.000 1.027 269 E CA 2.128 58.239 56.400 -0.480 0.000 0.830 269 E CB -0.699 28.419 29.700 -0.970 0.000 0.751 269 E HN 0.801 nan 8.360 nan 0.000 0.456 270 G N -0.857 107.951 108.800 0.014 0.000 2.541 270 G HA2 -0.134 3.827 3.960 0.001 0.000 0.686 270 G HA3 -0.134 3.827 3.960 0.001 0.000 0.686 270 G C -0.492 174.592 174.900 0.306 0.000 1.286 270 G CA -0.389 44.798 45.100 0.145 0.000 0.894 270 G HN 0.291 nan 8.290 nan 0.000 0.575 271 S N -0.877 114.926 115.700 0.171 0.000 2.531 271 S HA 0.333 4.804 4.470 0.001 0.000 0.279 271 S C 1.977 176.613 174.600 0.059 0.000 1.305 271 S CA 0.020 58.287 58.200 0.112 0.000 1.058 271 S CB 0.472 63.677 63.200 0.010 0.000 0.899 271 S HN 0.782 nan 8.310 nan 0.000 0.493 272 L N 3.687 124.885 121.223 -0.043 0.000 2.265 272 L HA -0.109 4.232 4.340 0.001 0.000 0.215 272 L C 1.790 178.485 176.870 -0.292 0.000 1.117 272 L CA 0.765 55.391 54.840 -0.358 0.000 0.782 272 L CB -0.389 41.422 42.059 -0.413 0.000 0.914 272 L HN 0.651 nan 8.230 nan 0.000 0.441 273 D N -0.433 119.850 120.400 -0.195 0.000 2.133 273 D HA -0.239 4.401 4.640 0.001 0.000 0.192 273 D C 2.182 178.307 176.300 -0.291 0.000 1.001 273 D CA 1.405 55.283 54.000 -0.203 0.000 0.844 273 D CB -0.309 40.398 40.800 -0.154 0.000 0.944 273 D HN 0.167 nan 8.370 nan 0.000 0.447 274 V N 0.075 119.790 119.914 -0.331 0.000 2.392 274 V HA -0.216 3.905 4.120 0.001 0.000 0.249 274 V C 2.234 177.824 176.094 -0.841 0.000 1.059 274 V CA 1.361 63.327 62.300 -0.556 0.000 1.051 274 V CB -0.154 31.415 31.823 -0.422 0.000 0.658 274 V HN 0.111 nan 8.190 nan 0.000 0.455 275 L N -0.613 120.312 121.223 -0.496 0.000 2.240 275 L HA -0.056 4.284 4.340 0.001 0.000 0.211 275 L C 2.441 179.234 176.870 -0.128 0.000 1.106 275 L CA 1.709 56.385 54.840 -0.274 0.000 0.793 275 L CB -0.483 41.480 42.059 -0.160 0.000 0.927 275 L HN 0.376 nan 8.230 nan 0.000 0.446 276 Q N -0.565 119.112 119.800 -0.205 0.000 2.016 276 Q HA -0.201 4.140 4.340 0.001 0.000 0.200 276 Q C 2.389 178.342 176.000 -0.078 0.000 0.978 276 Q CA 2.009 57.739 55.803 -0.122 0.000 0.833 276 Q CB 0.014 28.665 28.738 -0.146 0.000 0.895 276 Q HN 0.618 nan 8.270 nan 0.000 0.427 277 S N -0.011 115.594 115.700 -0.157 0.000 2.380 277 S HA -0.273 4.198 4.470 0.001 0.000 0.229 277 S C 1.587 176.200 174.600 0.022 0.000 1.050 277 S CA 1.588 59.709 58.200 -0.132 0.000 1.100 277 S CB -1.609 61.438 63.200 -0.255 0.000 0.984 277 S HN 0.620 nan 8.310 nan 0.000 0.434 278 W N 0.997 122.272 121.300 -0.042 0.000 2.290 278 W HA -0.263 4.397 4.660 0.000 0.000 0.328 278 W C 2.975 179.535 176.519 0.068 0.000 1.272 278 W CA 0.650 58.046 57.345 0.084 0.000 1.262 278 W CB -0.965 28.593 29.460 0.164 0.000 1.151 278 W HN 0.409 nan 8.180 nan 0.000 0.473 279 C N 0.173 119.639 119.300 0.276 0.000 2.440 279 C HA -0.159 4.301 4.460 0.001 0.000 0.278 279 C C 2.523 177.567 174.990 0.089 0.000 1.295 279 C CA 1.561 60.679 59.018 0.166 0.000 1.738 279 C CB -1.453 26.343 27.740 0.095 0.000 1.987 279 C HN 0.466 nan 8.230 nan 0.000 0.492 280 E N 1.491 121.709 120.200 0.030 0.000 2.076 280 E HA -0.209 4.142 4.350 0.001 0.000 0.190 280 E C 1.877 178.464 176.600 -0.023 0.000 0.979 280 E CA 0.990 57.387 56.400 -0.004 0.000 0.807 280 E CB -0.353 29.327 29.700 -0.034 0.000 0.761 280 E HN 0.442 nan 8.360 nan 0.000 0.454 281 K N 1.246 121.586 120.400 -0.101 0.000 2.044 281 K HA -0.131 4.190 4.320 0.001 0.000 0.210 281 K C 2.183 178.742 176.600 -0.067 0.000 1.049 281 K CA 1.385 57.520 56.287 -0.253 0.000 0.927 281 K CB -0.329 31.721 32.500 -0.751 0.000 0.713 281 K HN 0.164 nan 8.250 nan 0.000 0.443 282 L N -0.391 120.904 121.223 0.121 0.000 1.994 282 L HA -0.208 4.133 4.340 0.001 0.000 0.208 282 L C 2.408 179.383 176.870 0.174 0.000 1.071 282 L CA 1.466 56.473 54.840 0.279 0.000 0.745 282 L CB -0.569 41.663 42.059 0.288 0.000 0.892 282 L HN 0.361 nan 8.230 nan 0.000 0.431 283 A N -0.523 122.373 122.820 0.127 0.000 1.908 283 A HA -0.305 4.015 4.320 0.001 0.000 0.218 283 A C 2.204 179.881 177.584 0.154 0.000 1.181 283 A CA 2.106 54.217 52.037 0.124 0.000 0.627 283 A CB -0.631 18.407 19.000 0.063 0.000 0.818 283 A HN 0.554 nan 8.150 nan 0.000 0.445 284 E N -0.447 119.817 120.200 0.106 0.000 2.031 284 E HA -0.187 4.163 4.350 0.001 0.000 0.193 284 E C 1.900 178.597 176.600 0.163 0.000 0.994 284 E CA 1.467 57.938 56.400 0.119 0.000 0.800 284 E CB -0.203 29.529 29.700 0.053 0.000 0.752 284 E HN 0.537 nan 8.360 nan 0.000 0.447 285 I N 1.460 122.116 120.570 0.142 0.000 2.546 285 I HA -0.158 4.013 4.170 0.001 0.000 0.255 285 I C 2.024 178.228 176.117 0.145 0.000 1.163 285 I CA 0.743 62.129 61.300 0.144 0.000 1.457 285 I CB -0.513 37.580 38.000 0.156 0.000 1.092 285 I HN 0.304 nan 8.210 nan 0.000 0.434 286 I N 0.498 121.169 120.570 0.169 0.000 2.333 286 I HA -0.255 3.916 4.170 0.001 0.000 0.246 286 I C 2.388 178.607 176.117 0.170 0.000 1.106 286 I CA 1.338 62.728 61.300 0.151 0.000 1.411 286 I CB -0.883 37.210 38.000 0.155 0.000 1.082 286 I HN 0.441 nan 8.210 nan 0.000 0.420 287 W N 1.959 123.286 121.300 0.045 0.000 2.402 287 W HA -0.238 4.422 4.660 0.000 0.000 0.286 287 W C 2.259 178.795 176.519 0.028 0.000 1.221 287 W CA 1.174 58.544 57.345 0.042 0.000 1.257 287 W CB -0.133 29.358 29.460 0.052 0.000 1.120 287 W HN 0.337 nan 8.180 nan 0.000 0.551 288 Q N 0.492 120.372 119.800 0.133 0.000 1.927 288 Q HA -0.293 4.047 4.340 0.001 0.000 0.210 288 Q C 1.901 177.850 176.000 -0.085 0.000 1.001 288 Q CA 2.690 58.508 55.803 0.025 0.000 0.862 288 Q CB -0.954 27.830 28.738 0.077 0.000 0.934 288 Q HN 0.288 nan 8.270 nan 0.000 0.420 289 N N -0.240 118.433 118.700 -0.045 0.000 2.242 289 N HA -0.264 4.476 4.740 0.001 0.000 0.193 289 N C 1.626 176.982 175.510 -0.257 0.000 1.000 289 N CA 0.857 53.831 53.050 -0.126 0.000 0.885 289 N CB -0.032 38.419 38.487 -0.060 0.000 0.988 289 N HN 0.121 nan 8.380 nan 0.000 0.444 290 R N 1.436 121.774 120.500 -0.270 0.000 2.056 290 R HA -0.129 4.212 4.340 0.001 0.000 0.227 290 R C 2.020 178.078 176.300 -0.403 0.000 1.149 290 R CA 1.720 57.589 56.100 -0.384 0.000 0.937 290 R CB -0.367 29.584 30.300 -0.582 0.000 0.835 290 R HN 0.478 nan 8.270 nan 0.000 0.430 291 Q N 0.096 119.614 119.800 -0.470 0.000 2.297 291 Q HA -0.195 4.145 4.340 0.001 0.000 0.208 291 Q C 1.814 177.708 176.000 -0.176 0.000 0.981 291 Q CA 1.261 56.877 55.803 -0.312 0.000 0.876 291 Q CB -0.233 28.355 28.738 -0.250 0.000 0.921 291 Q HN 0.505 nan 8.270 nan 0.000 0.446 292 Q N 0.739 120.439 119.800 -0.166 0.000 2.020 292 Q HA -0.094 4.247 4.340 0.001 0.000 0.198 292 Q C 2.317 178.265 176.000 -0.087 0.000 0.974 292 Q CA 1.395 57.148 55.803 -0.083 0.000 0.829 292 Q CB -0.117 28.603 28.738 -0.030 0.000 0.894 292 Q HN 0.565 nan 8.270 nan 0.000 0.433 293 I N -0.793 119.642 120.570 -0.225 0.000 2.928 293 I HA -0.111 4.059 4.170 0.001 0.000 0.266 293 I C 1.801 177.867 176.117 -0.085 0.000 1.234 293 I CA 1.345 62.550 61.300 -0.158 0.000 1.483 293 I CB -0.512 37.340 38.000 -0.246 0.000 1.097 293 I HN 0.061 nan 8.210 nan 0.000 0.455 294 R N 1.014 121.447 120.500 -0.112 0.000 2.148 294 R HA 0.039 4.379 4.340 0.001 0.000 0.223 294 R C 2.463 178.756 176.300 -0.011 0.000 1.088 294 R CA 0.819 56.875 56.100 -0.073 0.000 0.985 294 R CB -0.066 30.160 30.300 -0.123 0.000 0.880 294 R HN 0.322 nan 8.270 nan 0.000 0.451 295 R N -0.647 119.843 120.500 -0.017 0.000 2.090 295 R HA 0.012 4.353 4.340 0.001 0.000 0.228 295 R C 2.154 178.499 176.300 0.074 0.000 1.110 295 R CA 1.141 57.253 56.100 0.021 0.000 0.973 295 R CB -0.153 30.145 30.300 -0.004 0.000 0.869 295 R HN 0.201 nan 8.270 nan 0.000 0.440 296 A N 1.558 124.411 122.820 0.055 0.000 1.883 296 A HA -0.201 4.120 4.320 0.001 0.000 0.217 296 A C 1.813 179.432 177.584 0.059 0.000 1.186 296 A CA 1.440 53.518 52.037 0.068 0.000 0.624 296 A CB -0.314 18.733 19.000 0.078 0.000 0.822 296 A HN 0.215 nan 8.150 nan 0.000 0.444 297 E N -0.285 119.941 120.200 0.043 0.000 2.026 297 E HA -0.286 4.064 4.350 0.001 0.000 0.206 297 E C 1.901 178.531 176.600 0.050 0.000 1.028 297 E CA 1.606 58.026 56.400 0.032 0.000 0.845 297 E CB -1.079 28.635 29.700 0.023 0.000 0.772 297 E HN 0.795 nan 8.360 nan 0.000 0.462 298 H N 0.898 119.963 119.070 -0.008 0.000 2.400 298 H HA -0.139 4.417 4.556 0.000 0.000 0.295 298 H C 2.228 177.560 175.328 0.006 0.000 1.118 298 H CA 1.428 57.475 56.048 -0.002 0.000 1.256 298 H CB -0.079 29.682 29.762 -0.002 0.000 1.365 298 H HN 0.082 nan 8.280 nan 0.000 0.502 299 L N -0.564 120.738 121.223 0.131 0.000 2.007 299 L HA -0.187 4.154 4.340 0.001 0.000 0.205 299 L C 3.045 179.926 176.870 0.019 0.000 1.073 299 L CA 1.320 56.210 54.840 0.084 0.000 0.744 299 L CB -0.623 41.489 42.059 0.088 0.000 0.898 299 L HN 0.386 nan 8.230 nan 0.000 0.435 300 C N -0.231 119.077 119.300 0.013 0.000 2.422 300 C HA -0.160 4.301 4.460 0.001 0.000 0.279 300 C C 2.511 177.487 174.990 -0.023 0.000 1.305 300 C CA 0.637 59.652 59.018 -0.005 0.000 1.757 300 C CB -1.275 26.466 27.740 0.001 0.000 1.962 300 C HN 0.623 nan 8.230 nan 0.000 0.499 301 Q N 0.262 120.035 119.800 -0.045 0.000 2.403 301 Q HA 0.043 4.383 4.340 0.001 0.000 0.203 301 Q C 1.536 177.473 176.000 -0.105 0.000 0.932 301 Q CA 0.819 56.580 55.803 -0.070 0.000 0.945 301 Q CB -0.218 28.471 28.738 -0.082 0.000 1.045 301 Q HN 0.687 nan 8.270 nan 0.000 0.511 302 Q N -0.141 119.598 119.800 -0.101 0.000 2.316 302 Q HA 0.273 4.613 4.340 0.001 0.000 0.235 302 Q C -0.555 175.422 176.000 -0.038 0.000 0.863 302 Q CA -0.005 55.740 55.803 -0.097 0.000 0.939 302 Q CB 1.056 29.714 28.738 -0.133 0.000 1.108 302 Q HN 0.282 nan 8.270 nan 0.000 0.522 303 L N 2.291 123.507 121.223 -0.013 0.000 2.514 303 L HA 0.391 4.731 4.340 0.001 0.000 0.257 303 L C -2.651 174.227 176.870 0.013 0.000 1.101 303 L CA -1.947 52.906 54.840 0.021 0.000 0.911 303 L CB 1.316 43.401 42.059 0.042 0.000 1.162 303 L HN -0.185 nan 8.230 nan 0.000 0.477 304 P HA 0.145 nan 4.420 nan 0.000 0.267 304 P C -0.659 176.649 177.300 0.013 0.000 1.201 304 P CA 0.190 63.298 63.100 0.013 0.000 0.775 304 P CB 0.660 32.372 31.700 0.021 0.000 0.854 305 I N -1.407 119.161 120.570 -0.003 0.000 2.860 305 I HA 0.253 4.423 4.170 0.001 0.000 0.297 305 I C -2.677 173.431 176.117 -0.014 0.000 1.625 305 I CA -2.497 58.792 61.300 -0.017 0.000 0.773 305 I CB -0.038 37.935 38.000 -0.044 0.000 1.973 305 I HN -0.011 nan 8.210 nan 0.000 0.588 306 P HA 0.172 nan 4.420 nan 0.000 0.241 306 P C 0.569 177.862 177.300 -0.011 0.000 1.093 306 P CA 1.072 64.168 63.100 -0.006 0.000 0.843 306 P CB -0.056 31.643 31.700 -0.003 0.000 0.760 307 G N 3.982 112.776 108.800 -0.010 0.000 2.606 307 G HA2 0.436 4.397 3.960 0.001 0.000 0.300 307 G HA3 0.436 4.397 3.960 0.001 0.000 0.300 307 G C -2.545 172.350 174.900 -0.008 0.000 1.360 307 G CA -0.801 44.292 45.100 -0.012 0.000 0.783 307 G HN 0.102 nan 8.290 nan 0.000 0.484 308 P HA 0.063 nan 4.420 nan 0.000 0.239 308 P C 1.420 178.720 177.300 -0.000 0.000 1.184 308 P CA 0.270 63.368 63.100 -0.003 0.000 0.760 308 P CB 0.424 32.121 31.700 -0.003 0.000 0.884 309 V N 1.012 120.926 119.914 -0.001 0.000 2.535 309 V HA -0.169 3.951 4.120 0.001 0.000 0.246 309 V C 2.480 178.577 176.094 0.005 0.000 1.045 309 V CA 1.561 63.863 62.300 0.004 0.000 1.058 309 V CB -0.758 31.066 31.823 0.002 0.000 0.689 309 V HN 0.199 nan 8.190 nan 0.000 0.461 310 E N -0.014 120.187 120.200 0.001 0.000 2.085 310 E HA -0.295 4.055 4.350 0.001 0.000 0.194 310 E C 2.008 178.609 176.600 0.002 0.000 0.994 310 E CA 1.471 57.871 56.400 0.000 0.000 0.801 310 E CB -0.122 29.577 29.700 -0.002 0.000 0.743 310 E HN 0.534 nan 8.360 nan 0.000 0.453 311 E N 1.100 121.301 120.200 0.002 0.000 1.998 311 E HA -0.145 4.205 4.350 0.001 0.000 0.196 311 E C 2.111 178.715 176.600 0.006 0.000 1.003 311 E CA 1.402 57.803 56.400 0.003 0.000 0.829 311 E CB -0.170 29.531 29.700 0.002 0.000 0.777 311 E HN 0.170 nan 8.360 nan 0.000 0.460 312 M N -0.064 119.542 119.600 0.010 0.000 2.116 312 M HA -0.268 4.213 4.480 0.001 0.000 0.255 312 M C 2.328 178.641 176.300 0.021 0.000 1.075 312 M CA 1.484 56.793 55.300 0.016 0.000 1.087 312 M CB -0.547 32.065 32.600 0.020 0.000 1.340 312 M HN 0.152 nan 8.290 nan 0.000 0.402 313 L N -0.308 120.927 121.223 0.019 0.000 1.994 313 L HA -0.201 4.139 4.340 0.001 0.000 0.208 313 L C 2.854 179.725 176.870 0.003 0.000 1.071 313 L CA 1.433 56.282 54.840 0.016 0.000 0.745 313 L CB -0.736 41.331 42.059 0.013 0.000 0.892 313 L HN 0.351 nan 8.230 nan 0.000 0.431 314 A N -1.014 121.806 122.820 0.001 0.000 1.969 314 A HA -0.223 4.097 4.320 0.001 0.000 0.218 314 A C 2.272 179.856 177.584 -0.001 0.000 1.169 314 A CA 1.572 53.607 52.037 -0.003 0.000 0.635 314 A CB -0.427 18.571 19.000 -0.003 0.000 0.810 314 A HN 0.445 nan 8.150 nan 0.000 0.445 315 E N -0.099 120.103 120.200 0.003 0.000 2.072 315 E HA -0.101 4.250 4.350 0.001 0.000 0.190 315 E C 1.992 178.595 176.600 0.005 0.000 0.982 315 E CA 1.315 57.718 56.400 0.005 0.000 0.803 315 E CB -0.109 29.595 29.700 0.007 0.000 0.755 315 E HN 0.290 nan 8.360 nan 0.000 0.453 316 V N 1.640 121.558 119.914 0.008 0.000 2.427 316 V HA -0.232 3.888 4.120 0.001 0.000 0.248 316 V C 2.212 178.295 176.094 -0.018 0.000 1.051 316 V CA 2.035 64.338 62.300 0.006 0.000 1.048 316 V CB -0.624 31.216 31.823 0.028 0.000 0.666 316 V HN 0.348 nan 8.190 nan 0.000 0.456 317 N N -0.797 117.888 118.700 -0.024 0.000 2.396 317 N HA -0.077 4.664 4.740 0.001 0.000 0.180 317 N C 1.804 177.305 175.510 -0.016 0.000 1.028 317 N CA 0.875 53.904 53.050 -0.035 0.000 0.893 317 N CB -0.072 38.393 38.487 -0.036 0.000 0.967 317 N HN 0.482 nan 8.380 nan 0.000 0.440 318 A N 0.110 122.927 122.820 -0.005 0.000 1.897 318 A HA -0.122 4.198 4.320 0.001 0.000 0.215 318 A C 2.262 179.852 177.584 0.011 0.000 1.181 318 A CA 1.936 53.975 52.037 0.004 0.000 0.620 318 A CB -1.019 17.984 19.000 0.004 0.000 0.821 318 A HN 0.526 nan 8.150 nan 0.000 0.443 319 T N -2.356 112.203 114.554 0.009 0.000 2.942 319 T HA 0.070 4.420 4.350 0.001 0.000 0.265 319 T C 1.830 176.542 174.700 0.020 0.000 1.062 319 T CA 1.049 63.158 62.100 0.014 0.000 1.139 319 T CB -0.371 68.504 68.868 0.012 0.000 0.883 319 T HN 0.305 nan 8.240 nan 0.000 0.468 320 I N 2.537 123.112 120.570 0.009 0.000 2.493 320 I HA -0.159 4.012 4.170 0.001 0.000 0.254 320 I C 2.451 178.598 176.117 0.049 0.000 1.160 320 I CA 1.577 62.885 61.300 0.013 0.000 1.445 320 I CB -0.235 37.747 38.000 -0.030 0.000 1.086 320 I HN 0.484 nan 8.210 nan 0.000 0.433 321 T N -2.713 111.872 114.554 0.052 0.000 2.896 321 T HA -0.106 4.244 4.350 0.001 0.000 0.263 321 T C 1.608 176.376 174.700 0.112 0.000 1.050 321 T CA 0.859 63.017 62.100 0.097 0.000 1.140 321 T CB -0.362 68.549 68.868 0.072 0.000 0.877 321 T HN 0.270 nan 8.240 nan 0.000 0.457 322 D N 1.659 122.102 120.400 0.073 0.000 2.117 322 D HA -0.058 4.582 4.640 0.001 0.000 0.197 322 D C 2.100 178.435 176.300 0.058 0.000 0.987 322 D CA 1.324 55.361 54.000 0.063 0.000 0.829 322 D CB -0.214 40.610 40.800 0.040 0.000 0.961 322 D HN 0.570 nan 8.370 nan 0.000 0.460 323 I N -0.897 119.706 120.570 0.056 0.000 2.546 323 I HA -0.129 4.041 4.170 0.001 0.000 0.255 323 I C 2.051 178.205 176.117 0.062 0.000 1.163 323 I CA 1.032 62.363 61.300 0.050 0.000 1.457 323 I CB -0.145 37.881 38.000 0.043 0.000 1.092 323 I HN -0.115 nan 8.210 nan 0.000 0.434 324 I N 0.538 121.166 120.570 0.097 0.000 2.233 324 I HA -0.191 3.979 4.170 0.001 0.000 0.243 324 I C 2.501 178.592 176.117 -0.044 0.000 1.093 324 I CA 1.327 62.685 61.300 0.096 0.000 1.380 324 I CB -0.427 37.719 38.000 0.244 0.000 1.067 324 I HN 0.255 nan 8.210 nan 0.000 0.413 325 S N 1.341 117.051 115.700 0.017 0.000 2.359 325 S HA -0.217 4.253 4.470 0.001 0.000 0.224 325 S C 2.270 176.806 174.600 -0.107 0.000 1.035 325 S CA 1.244 59.392 58.200 -0.085 0.000 1.018 325 S CB -0.619 62.662 63.200 0.135 0.000 0.876 325 S HN 0.526 nan 8.310 nan 0.000 0.448 326 A N 2.328 125.133 122.820 -0.025 0.000 1.859 326 A HA -0.195 4.126 4.320 0.001 0.000 0.218 326 A C 2.131 179.695 177.584 -0.034 0.000 1.242 326 A CA 1.910 53.938 52.037 -0.014 0.000 0.661 326 A CB -1.268 17.737 19.000 0.008 0.000 0.842 326 A HN 0.430 nan 8.150 nan 0.000 0.455 327 L N -0.654 120.552 121.223 -0.028 0.000 1.951 327 L HA -0.246 4.095 4.340 0.001 0.000 0.222 327 L C 2.627 179.464 176.870 -0.054 0.000 1.078 327 L CA 2.274 57.105 54.840 -0.015 0.000 0.778 327 L CB -0.550 41.520 42.059 0.018 0.000 0.893 327 L HN 0.347 nan 8.230 nan 0.000 0.436 328 V N -0.138 119.676 119.914 -0.166 0.000 2.220 328 V HA -0.397 3.724 4.120 0.001 0.000 0.250 328 V C 2.542 178.573 176.094 -0.105 0.000 1.056 328 V CA 2.674 64.847 62.300 -0.212 0.000 1.016 328 V CB -1.309 30.124 31.823 -0.650 0.000 0.639 328 V HN 0.635 nan 8.190 nan 0.000 0.446 329 T N 0.727 115.183 114.554 -0.164 0.000 2.652 329 T HA -0.201 4.149 4.350 0.001 0.000 0.267 329 T C 1.805 176.546 174.700 0.068 0.000 1.039 329 T CA 1.942 64.021 62.100 -0.034 0.000 1.153 329 T CB -0.627 68.222 68.868 -0.033 0.000 0.863 329 T HN 0.640 nan 8.240 nan 0.000 0.428 330 S N 1.622 117.343 115.700 0.036 0.000 2.603 330 S HA -0.018 4.452 4.470 0.001 0.000 0.229 330 S C 1.866 176.506 174.600 0.066 0.000 0.972 330 S CA 0.873 59.107 58.200 0.058 0.000 0.935 330 S CB -0.740 62.482 63.200 0.038 0.000 0.769 330 S HN 0.789 nan 8.310 nan 0.000 0.536 331 T N -1.854 112.747 114.554 0.078 0.000 3.069 331 T HA 0.317 4.667 4.350 0.001 0.000 0.252 331 T C -0.011 174.762 174.700 0.122 0.000 1.053 331 T CA -0.559 61.580 62.100 0.065 0.000 0.964 331 T CB -0.543 68.354 68.868 0.049 0.000 1.005 331 T HN 0.258 nan 8.240 nan 0.000 0.532 332 F N 4.515 124.474 119.950 0.015 0.000 2.423 332 F HA 0.534 5.061 4.527 0.001 0.000 0.356 332 F C -0.106 175.703 175.800 0.015 0.000 1.170 332 F CA -2.578 55.444 58.000 0.036 0.000 1.163 332 F CB -0.104 38.949 39.000 0.087 0.000 1.318 332 F HN 0.280 nan 8.300 nan 0.000 0.569 333 I N 4.279 124.655 120.570 -0.323 0.000 2.785 333 I HA 0.510 4.680 4.170 0.001 0.000 0.302 333 I C -0.895 175.000 176.117 -0.370 0.000 1.069 333 I CA -1.146 59.993 61.300 -0.268 0.000 1.045 333 I CB 2.333 40.267 38.000 -0.110 0.000 1.236 333 I HN 0.195 nan 8.210 nan 0.000 0.429 334 I N 3.938 124.338 120.570 -0.283 0.000 2.421 334 I HA 0.089 4.260 4.170 0.001 0.000 0.291 334 I C 1.230 177.300 176.117 -0.078 0.000 1.089 334 I CA 0.191 61.304 61.300 -0.311 0.000 1.354 334 I CB 0.921 38.720 38.000 -0.335 0.000 1.413 334 I HN 0.857 nan 8.210 nan 0.000 0.513 335 E N 6.588 126.728 120.200 -0.101 0.000 2.005 335 E HA -0.100 4.251 4.350 0.001 0.000 0.191 335 E C 0.923 177.550 176.600 0.045 0.000 0.987 335 E CA 0.875 57.310 56.400 0.059 0.000 0.814 335 E CB 0.323 29.999 29.700 -0.040 0.000 0.772 335 E HN 0.454 nan 8.360 nan 0.000 0.453 336 K N 1.334 121.705 120.400 -0.048 0.000 2.253 336 K HA 0.077 4.397 4.320 0.001 0.000 0.277 336 K C -0.912 175.650 176.600 -0.062 0.000 1.053 336 K CA -0.369 55.898 56.287 -0.033 0.000 0.892 336 K CB 1.327 33.824 32.500 -0.005 0.000 1.102 336 K HN -0.008 nan 8.250 nan 0.000 0.469 337 Q N 4.987 124.763 119.800 -0.041 0.000 2.293 337 Q HA 0.248 4.588 4.340 0.001 0.000 0.251 337 Q C -2.265 173.752 176.000 0.028 0.000 0.930 337 Q CA -1.703 54.081 55.803 -0.033 0.000 0.893 337 Q CB 0.968 29.684 28.738 -0.036 0.000 1.215 337 Q HN 0.382 nan 8.270 nan 0.000 0.425 338 P HA 0.076 nan 4.420 nan 0.000 0.268 338 P C -2.471 174.850 177.300 0.035 0.000 1.205 338 P CA -1.032 62.155 63.100 0.145 0.000 0.771 338 P CB -0.326 31.485 31.700 0.185 0.000 0.858 339 P HA -0.104 nan 4.420 nan 0.000 0.255 339 P C 0.994 178.236 177.300 -0.097 0.000 1.141 339 P CA 0.732 63.806 63.100 -0.043 0.000 0.767 339 P CB 0.130 31.790 31.700 -0.067 0.000 0.726 340 Q N 2.826 122.588 119.800 -0.064 0.000 2.224 340 Q HA -0.015 4.325 4.340 0.001 0.000 0.203 340 Q C 0.556 176.505 176.000 -0.084 0.000 0.970 340 Q CA 0.865 56.627 55.803 -0.068 0.000 0.865 340 Q CB 0.212 28.923 28.738 -0.047 0.000 0.922 340 Q HN 0.328 nan 8.270 nan 0.000 0.445 341 V N 1.328 121.190 119.914 -0.086 0.000 2.385 341 V HA 0.391 4.511 4.120 0.001 0.000 0.277 341 V C -1.745 174.272 176.094 -0.129 0.000 1.012 341 V CA -0.946 61.298 62.300 -0.093 0.000 0.832 341 V CB 0.663 32.454 31.823 -0.053 0.000 1.028 341 V HN 0.161 nan 8.190 nan 0.000 0.436 342 L N 5.076 126.189 121.223 -0.184 0.000 2.342 342 L HA 0.757 5.097 4.340 0.001 0.000 0.271 342 L C -0.133 176.626 176.870 -0.185 0.000 1.008 342 L CA -0.930 53.779 54.840 -0.218 0.000 0.818 342 L CB 1.444 43.260 42.059 -0.405 0.000 1.296 342 L HN 0.597 nan 8.230 nan 0.000 0.427 343 K N -0.599 119.720 120.400 -0.134 0.000 2.138 343 K HA 0.432 4.753 4.320 0.001 0.000 0.263 343 K C -0.037 176.522 176.600 -0.070 0.000 0.965 343 K CA -0.574 55.652 56.287 -0.102 0.000 0.868 343 K CB 1.418 33.877 32.500 -0.069 0.000 1.083 343 K HN 0.659 nan 8.250 nan 0.000 0.443 344 T N 2.145 116.661 114.554 -0.063 0.000 2.830 344 T HA -0.156 4.195 4.350 0.001 0.000 0.282 344 T C -0.238 174.466 174.700 0.006 0.000 1.024 344 T CA 0.958 63.039 62.100 -0.033 0.000 1.144 344 T CB -0.380 68.473 68.868 -0.025 0.000 1.035 344 T HN 0.666 nan 8.240 nan 0.000 0.507 345 Q N 1.967 121.787 119.800 0.033 0.000 2.443 345 Q HA -0.131 4.209 4.340 0.001 0.000 0.362 345 Q C -0.481 175.560 176.000 0.068 0.000 1.423 345 Q CA 1.160 56.996 55.803 0.055 0.000 1.037 345 Q CB -1.689 27.070 28.738 0.035 0.000 1.208 345 Q HN 0.770 nan 8.270 nan 0.000 0.334 346 T N 0.461 115.087 114.554 0.120 0.000 3.011 346 T HA 0.293 4.643 4.350 0.001 0.000 0.303 346 T C -0.423 174.426 174.700 0.249 0.000 0.997 346 T CA -1.025 61.155 62.100 0.134 0.000 1.007 346 T CB 1.562 70.482 68.868 0.088 0.000 1.017 346 T HN 0.276 nan 8.240 nan 0.000 0.443 347 K N 3.905 124.399 120.400 0.156 0.000 2.395 347 K HA 0.271 4.591 4.320 0.001 0.000 0.283 347 K C -0.682 176.041 176.600 0.204 0.000 1.068 347 K CA 0.065 56.423 56.287 0.118 0.000 1.039 347 K CB -0.051 32.479 32.500 0.049 0.000 0.924 347 K HN 0.613 nan 8.250 nan 0.000 0.468 348 F N 1.426 121.405 119.950 0.048 0.000 2.640 348 F HA 0.804 5.332 4.527 0.001 0.000 0.324 348 F C -1.011 174.846 175.800 0.096 0.000 1.077 348 F CA -1.198 56.836 58.000 0.057 0.000 0.965 348 F CB 1.192 40.218 39.000 0.043 0.000 1.351 348 F HN 0.336 nan 8.300 nan 0.000 0.487 349 A N 0.820 123.758 122.820 0.198 0.000 2.479 349 A HA 1.004 5.324 4.320 0.001 0.000 0.296 349 A C -1.446 176.266 177.584 0.212 0.000 1.121 349 A CA -0.457 51.659 52.037 0.131 0.000 0.743 349 A CB 1.334 20.410 19.000 0.126 0.000 1.323 349 A HN 1.912 nan 8.150 nan 0.000 0.415 350 A N -0.138 122.790 122.820 0.178 0.000 2.594 350 A HA 0.833 5.153 4.320 0.001 0.000 0.295 350 A C -0.736 176.850 177.584 0.004 0.000 1.071 350 A CA -0.410 51.656 52.037 0.048 0.000 0.685 350 A CB 1.412 20.406 19.000 -0.010 0.000 1.285 350 A HN 1.044 nan 8.150 nan 0.000 0.405 351 T N 1.176 115.637 114.554 -0.154 0.000 2.890 351 T HA 0.544 4.894 4.350 0.001 0.000 0.295 351 T C -0.967 173.527 174.700 -0.343 0.000 0.993 351 T CA -0.375 61.579 62.100 -0.242 0.000 0.979 351 T CB 1.089 69.769 68.868 -0.315 0.000 0.967 351 T HN 1.510 nan 8.240 nan 0.000 0.441 352 V N 4.956 124.661 119.914 -0.349 0.000 2.555 352 V HA 0.910 5.031 4.120 0.001 0.000 0.302 352 V C -0.523 175.395 176.094 -0.294 0.000 1.038 352 V CA -0.854 61.172 62.300 -0.456 0.000 0.887 352 V CB 1.534 32.901 31.823 -0.759 0.000 0.991 352 V HN 0.975 nan 8.190 nan 0.000 0.434 353 R N 4.809 125.128 120.500 -0.302 0.000 2.912 353 R HA 0.857 5.197 4.340 0.001 0.000 0.262 353 R C -1.844 174.390 176.300 -0.111 0.000 1.057 353 R CA -0.953 55.053 56.100 -0.156 0.000 0.981 353 R CB 1.910 32.132 30.300 -0.130 0.000 1.201 353 R HN 0.705 nan 8.270 nan 0.000 0.484 354 L N 2.408 123.649 121.223 0.030 0.000 2.372 354 L HA 0.365 4.706 4.340 0.001 0.000 0.274 354 L C -0.392 176.498 176.870 0.032 0.000 0.988 354 L CA -0.497 54.416 54.840 0.122 0.000 0.833 354 L CB 1.879 44.086 42.059 0.246 0.000 1.236 354 L HN 0.898 nan 8.230 nan 0.000 0.410 355 L N 4.254 125.481 121.223 0.005 0.000 2.109 355 L HA -0.071 4.270 4.340 0.001 0.000 0.207 355 L C 2.034 178.898 176.870 -0.010 0.000 1.086 355 L CA 1.326 56.148 54.840 -0.030 0.000 0.760 355 L CB -0.494 41.532 42.059 -0.054 0.000 0.910 355 L HN 0.757 nan 8.230 nan 0.000 0.437 356 V N -3.117 116.805 119.914 0.013 0.000 2.871 356 V HA 0.067 4.188 4.120 0.001 0.000 0.256 356 V C 2.404 178.487 176.094 -0.019 0.000 1.082 356 V CA 1.197 63.500 62.300 0.005 0.000 1.105 356 V CB -1.626 30.209 31.823 0.020 0.000 0.713 356 V HN 0.362 nan 8.190 nan 0.000 0.473 357 G N 1.286 110.076 108.800 -0.016 0.000 2.550 357 G HA2 -0.245 3.716 3.960 0.001 0.000 0.222 357 G HA3 -0.245 3.716 3.960 0.001 0.000 0.222 357 G C 1.435 176.309 174.900 -0.044 0.000 1.113 357 G CA 1.311 46.388 45.100 -0.038 0.000 0.748 357 G HN 0.770 nan 8.290 nan 0.000 0.585 358 G N 0.775 109.556 108.800 -0.031 0.000 2.604 358 G HA2 -0.165 3.795 3.960 0.001 0.000 0.216 358 G HA3 -0.165 3.795 3.960 0.001 0.000 0.216 358 G C 1.670 176.454 174.900 -0.193 0.000 1.265 358 G CA 1.528 46.590 45.100 -0.064 0.000 0.804 358 G HN 0.432 nan 8.290 nan 0.000 0.579 359 K N 0.351 120.688 120.400 -0.105 0.000 1.997 359 K HA 0.109 4.430 4.320 0.001 0.000 0.219 359 K C 1.107 177.631 176.600 -0.127 0.000 1.023 359 K CA 0.158 56.386 56.287 -0.098 0.000 1.003 359 K CB -1.289 31.178 32.500 -0.054 0.000 0.842 359 K HN 0.337 nan 8.250 nan 0.000 0.445 360 L N 2.204 123.321 121.223 -0.176 0.000 2.615 360 L HA 0.068 4.408 4.340 0.001 0.000 0.284 360 L C -0.389 176.366 176.870 -0.191 0.000 1.237 360 L CA -0.308 54.325 54.840 -0.345 0.000 0.905 360 L CB -0.614 41.168 42.059 -0.462 0.000 1.149 360 L HN 0.294 nan 8.230 nan 0.000 0.499 361 N N 3.048 121.632 118.700 -0.193 0.000 2.521 361 N HA 0.246 4.987 4.740 0.001 0.000 0.236 361 N C 0.229 175.677 175.510 -0.102 0.000 1.067 361 N CA -0.678 52.367 53.050 -0.009 0.000 0.939 361 N CB 1.362 39.793 38.487 -0.093 0.000 1.201 361 N HN 0.554 nan 8.380 nan 0.000 0.511 362 V N 0.980 120.908 119.914 0.023 0.000 3.307 362 V HA -0.036 4.084 4.120 0.001 0.000 0.244 362 V C 1.838 177.824 176.094 -0.181 0.000 1.196 362 V CA 0.861 63.054 62.300 -0.178 0.000 1.132 362 V CB -1.234 30.343 31.823 -0.410 0.000 0.875 362 V HN 0.762 nan 8.190 nan 0.000 0.468 363 H N -0.068 118.851 119.070 -0.253 0.000 2.472 363 H HA -0.237 4.320 4.556 0.001 0.000 0.296 363 H C 2.118 177.306 175.328 -0.233 0.000 1.120 363 H CA 1.966 57.849 56.048 -0.275 0.000 1.250 363 H CB -0.554 28.836 29.762 -0.620 0.000 1.366 363 H HN 0.227 nan 8.280 nan 0.000 0.524 364 M N 1.370 120.539 119.600 -0.717 0.000 2.106 364 M HA -0.116 4.364 4.480 0.001 0.000 0.259 364 M C 0.023 176.170 176.300 -0.254 0.000 1.068 364 M CA 1.464 56.449 55.300 -0.524 0.000 1.100 364 M CB -0.944 31.363 32.600 -0.489 0.000 1.351 364 M HN 0.640 nan 8.290 nan 0.000 0.404 365 N N -0.443 118.144 118.700 -0.187 0.000 2.607 365 N HA 0.333 5.073 4.740 0.001 0.000 0.271 365 N C -2.863 172.599 175.510 -0.080 0.000 1.142 365 N CA -1.397 51.590 53.050 -0.105 0.000 0.810 365 N CB 0.566 39.011 38.487 -0.069 0.000 1.306 365 N HN -0.101 nan 8.380 nan 0.000 0.536 366 P HA 0.067 nan 4.420 nan 0.000 0.260 366 P C -2.314 174.978 177.300 -0.014 0.000 1.172 366 P CA -0.281 62.794 63.100 -0.041 0.000 0.760 366 P CB 0.110 31.803 31.700 -0.012 0.000 0.773 367 P HA 0.179 nan 4.420 nan 0.000 0.276 367 P C -0.466 176.890 177.300 0.093 0.000 1.252 367 P CA -0.412 62.728 63.100 0.066 0.000 0.802 367 P CB 0.846 32.621 31.700 0.126 0.000 1.035 368 Q N 0.606 120.470 119.800 0.108 0.000 2.267 368 Q HA 0.357 4.697 4.340 0.001 0.000 0.255 368 Q C -1.116 175.003 176.000 0.198 0.000 0.923 368 Q CA -0.613 55.261 55.803 0.118 0.000 0.925 368 Q CB 0.716 29.503 28.738 0.082 0.000 1.195 368 Q HN 0.180 nan 8.270 nan 0.000 0.417 369 V N 4.608 124.692 119.914 0.282 0.000 2.394 369 V HA 0.323 4.443 4.120 0.001 0.000 0.282 369 V C -0.328 176.062 176.094 0.494 0.000 1.031 369 V CA -0.566 62.011 62.300 0.462 0.000 0.881 369 V CB 1.399 33.645 31.823 0.705 0.000 0.982 369 V HN 0.707 nan 8.190 nan 0.000 0.451 370 K N 3.901 124.530 120.400 0.380 0.000 2.339 370 K HA 0.735 5.055 4.320 0.001 0.000 0.264 370 K C -0.167 176.524 176.600 0.151 0.000 0.986 370 K CA -0.359 56.089 56.287 0.268 0.000 0.866 370 K CB 1.326 33.915 32.500 0.148 0.000 1.103 370 K HN 0.835 nan 8.250 nan 0.000 0.441 371 A N 2.819 125.706 122.820 0.112 0.000 2.354 371 A HA 0.464 4.784 4.320 0.001 0.000 0.269 371 A C -0.383 177.096 177.584 -0.175 0.000 1.109 371 A CA -0.180 51.647 52.037 -0.351 0.000 0.800 371 A CB 0.948 19.708 19.000 -0.399 0.000 1.045 371 A HN 0.713 nan 8.150 nan 0.000 0.489 372 T N 1.993 116.407 114.554 -0.233 0.000 3.395 372 T HA 0.402 4.752 4.350 0.001 0.000 0.330 372 T C -0.878 173.782 174.700 -0.066 0.000 1.076 372 T CA -0.392 61.657 62.100 -0.085 0.000 1.070 372 T CB 0.220 69.073 68.868 -0.026 0.000 1.119 372 T HN 0.895 nan 8.240 nan 0.000 0.462 373 I N 5.545 126.102 120.570 -0.021 0.000 2.441 373 I HA 0.704 4.875 4.170 0.001 0.000 0.287 373 I C -1.009 175.153 176.117 0.076 0.000 1.049 373 I CA -0.519 60.790 61.300 0.016 0.000 1.381 373 I CB 0.394 38.383 38.000 -0.018 0.000 1.409 373 I HN 0.743 nan 8.210 nan 0.000 0.523 374 I N 6.200 126.857 120.570 0.144 0.000 2.769 374 I HA 0.321 4.491 4.170 0.001 0.000 0.298 374 I C -0.097 176.175 176.117 0.258 0.000 1.128 374 I CA -0.174 61.230 61.300 0.174 0.000 1.031 374 I CB 2.375 40.451 38.000 0.127 0.000 1.235 374 I HN 0.715 nan 8.210 nan 0.000 0.423 375 S N 3.747 119.575 115.700 0.214 0.000 2.624 375 S HA 0.198 4.669 4.470 0.001 0.000 0.263 375 S C 1.077 175.729 174.600 0.087 0.000 1.287 375 S CA 0.109 58.364 58.200 0.091 0.000 0.990 375 S CB 1.052 64.264 63.200 0.020 0.000 0.950 375 S HN 0.798 nan 8.310 nan 0.000 0.561 376 E N 0.173 120.370 120.200 -0.005 0.000 2.058 376 E HA -0.261 4.089 4.350 0.001 0.000 0.194 376 E C 1.928 178.601 176.600 0.121 0.000 0.997 376 E CA 1.180 57.720 56.400 0.233 0.000 0.801 376 E CB -0.267 29.530 29.700 0.162 0.000 0.746 376 E HN 0.689 nan 8.360 nan 0.000 0.450 377 Q N 0.554 120.370 119.800 0.027 0.000 2.112 377 Q HA -0.240 4.100 4.340 0.001 0.000 0.206 377 Q C 2.038 178.054 176.000 0.026 0.000 0.987 377 Q CA 1.988 57.800 55.803 0.015 0.000 0.858 377 Q CB -0.136 28.600 28.738 -0.004 0.000 0.905 377 Q HN 0.504 nan 8.270 nan 0.000 0.420 378 Q N -1.133 118.694 119.800 0.045 0.000 2.137 378 Q HA 0.021 4.362 4.340 0.001 0.000 0.198 378 Q C 1.973 178.000 176.000 0.044 0.000 0.960 378 Q CA 0.997 56.829 55.803 0.049 0.000 0.847 378 Q CB -0.075 28.704 28.738 0.068 0.000 0.915 378 Q HN 0.401 nan 8.270 nan 0.000 0.448 379 A N 1.448 124.305 122.820 0.062 0.000 1.978 379 A HA -0.232 4.089 4.320 0.001 0.000 0.220 379 A C 1.863 179.419 177.584 -0.046 0.000 1.170 379 A CA 1.445 53.493 52.037 0.019 0.000 0.636 379 A CB -0.263 18.748 19.000 0.019 0.000 0.810 379 A HN 0.169 nan 8.150 nan 0.000 0.448 380 K N 0.168 120.541 120.400 -0.046 0.000 2.026 380 K HA -0.148 4.172 4.320 0.001 0.000 0.208 380 K C 2.489 179.073 176.600 -0.026 0.000 1.048 380 K CA 1.744 58.000 56.287 -0.052 0.000 0.929 380 K CB -0.220 32.258 32.500 -0.037 0.000 0.713 380 K HN 0.675 nan 8.250 nan 0.000 0.439 381 S N 1.357 117.054 115.700 -0.006 0.000 2.402 381 S HA -0.087 4.383 4.470 0.001 0.000 0.229 381 S C 1.944 176.547 174.600 0.005 0.000 1.021 381 S CA 0.585 58.786 58.200 0.002 0.000 0.974 381 S CB -0.321 62.886 63.200 0.011 0.000 0.800 381 S HN 0.220 nan 8.310 nan 0.000 0.484 382 L N 1.039 122.267 121.223 0.008 0.000 2.093 382 L HA 0.057 4.397 4.340 0.001 0.000 0.208 382 L C 2.242 179.116 176.870 0.007 0.000 1.085 382 L CA 1.487 56.336 54.840 0.015 0.000 0.755 382 L CB -0.927 41.148 42.059 0.028 0.000 0.904 382 L HN 0.411 nan 8.230 nan 0.000 0.435 383 L N 0.608 121.826 121.223 -0.009 0.000 1.961 383 L HA -0.157 4.184 4.340 0.001 0.000 0.209 383 L C 1.376 178.242 176.870 -0.007 0.000 1.075 383 L CA 1.137 55.969 54.840 -0.013 0.000 0.749 383 L CB -0.642 41.394 42.059 -0.037 0.000 0.890 383 L HN 0.307 nan 8.230 nan 0.000 0.433 384 K N 2.203 122.597 120.400 -0.010 0.000 2.081 384 K HA 0.037 4.357 4.320 0.001 0.000 0.230 384 K C -0.473 176.127 176.600 0.000 0.000 1.199 384 K CA -0.030 56.254 56.287 -0.005 0.000 1.130 384 K CB -1.247 31.248 32.500 -0.008 0.000 1.386 384 K HN 0.431 nan 8.250 nan 0.000 0.280 385 N N 3.755 122.457 118.700 0.004 0.000 2.210 385 N HA -0.167 4.574 4.740 0.001 0.000 0.285 385 N C -0.421 175.093 175.510 0.007 0.000 1.277 385 N CA 0.178 53.232 53.050 0.007 0.000 1.131 385 N CB -0.027 38.465 38.487 0.009 0.000 1.495 385 N HN 0.649 nan 8.380 nan 0.000 0.483 386 E N 2.249 122.453 120.200 0.007 0.000 3.108 386 E HA 0.173 4.523 4.350 0.001 0.000 0.228 386 E C -1.120 175.487 176.600 0.010 0.000 1.176 386 E CA -0.564 55.840 56.400 0.007 0.000 0.881 386 E CB -0.025 29.678 29.700 0.005 0.000 1.354 386 E HN 0.346 nan 8.360 nan 0.000 0.400 387 N N 0.575 119.282 118.700 0.012 0.000 2.495 387 N HA 0.322 5.062 4.740 0.001 0.000 0.294 387 N C -0.286 175.233 175.510 0.015 0.000 1.276 387 N CA -0.203 52.857 53.050 0.016 0.000 0.973 387 N CB 1.086 39.585 38.487 0.019 0.000 1.143 387 N HN 0.344 nan 8.380 nan 0.000 0.589 388 T N -0.802 113.763 114.554 0.018 0.000 3.401 388 T HA 0.216 4.567 4.350 0.001 0.000 0.341 388 T C 0.224 174.935 174.700 0.019 0.000 1.674 388 T CA -0.691 61.419 62.100 0.017 0.000 1.600 388 T CB 0.238 69.115 68.868 0.016 0.000 0.974 388 T HN 0.243 nan 8.240 nan 0.000 0.672 389 R N 2.985 123.496 120.500 0.019 0.000 4.314 389 R HA -0.075 4.266 4.340 0.001 0.000 0.237 389 R C 0.480 176.794 176.300 0.023 0.000 0.670 389 R CA 0.542 56.655 56.100 0.022 0.000 0.943 389 R CB -1.298 29.013 30.300 0.019 0.000 0.942 389 R HN 0.877 nan 8.270 nan 0.000 0.334 390 N N 0.329 119.044 118.700 0.026 0.000 2.467 390 N HA -0.128 4.613 4.740 0.001 0.000 0.316 390 N C -1.003 174.524 175.510 0.029 0.000 0.649 390 N CA -0.022 53.044 53.050 0.025 0.000 0.731 390 N CB 0.110 38.610 38.487 0.022 0.000 2.323 390 N HN 0.340 nan 8.380 nan 0.000 1.339 391 E N 1.628 121.846 120.200 0.031 0.000 2.408 391 E HA 0.333 4.683 4.350 0.001 0.000 0.259 391 E C 0.143 176.770 176.600 0.045 0.000 1.110 391 E CA -0.223 56.199 56.400 0.036 0.000 0.929 391 E CB 0.325 30.046 29.700 0.035 0.000 0.971 391 E HN 0.379 nan 8.360 nan 0.000 0.438 392 C N -1.152 118.179 119.300 0.053 0.000 2.890 392 C HA 0.359 4.819 4.460 0.001 0.000 0.264 392 C C -0.120 174.921 174.990 0.086 0.000 0.934 392 C CA -1.121 57.937 59.018 0.067 0.000 1.016 392 C CB -1.018 26.752 27.740 0.050 0.000 1.704 392 C HN 0.536 nan 8.230 nan 0.000 0.671 393 S N 1.611 117.376 115.700 0.108 0.000 2.945 393 S HA 0.354 4.825 4.470 0.001 0.000 0.317 393 S C 1.410 176.142 174.600 0.221 0.000 0.836 393 S CA 1.607 59.897 58.200 0.151 0.000 2.148 393 S CB -0.683 62.610 63.200 0.156 0.000 1.289 393 S HN 1.436 nan 8.310 nan 0.000 0.689 394 G N 0.669 109.531 108.800 0.103 0.000 4.073 394 G HA2 0.121 4.081 3.960 0.001 0.000 0.183 394 G HA3 0.121 4.081 3.960 0.001 0.000 0.183 394 G C -0.388 174.490 174.900 -0.037 0.000 0.873 394 G CA -0.075 45.019 45.100 -0.011 0.000 0.937 394 G HN 0.447 nan 8.290 nan 0.000 0.344 395 E N -0.287 119.916 120.200 0.005 0.000 9.220 395 E HA -0.200 4.150 4.350 0.001 0.000 0.468 395 E C 0.581 177.181 176.600 0.000 0.000 1.430 395 E CA 0.811 57.214 56.400 0.005 0.000 2.492 395 E CB -1.039 28.662 29.700 0.001 0.000 1.039 395 E HN 1.208 nan 8.360 nan 0.000 0.325 396 I N -1.048 119.527 120.570 0.008 0.000 3.205 396 I HA 0.230 4.400 4.170 0.001 0.000 0.287 396 I C 0.702 176.833 176.117 0.024 0.000 1.266 396 I CA -0.237 61.073 61.300 0.016 0.000 1.378 396 I CB -0.209 37.801 38.000 0.017 0.000 1.347 396 I HN 0.423 nan 8.210 nan 0.000 0.603 397 L N 1.213 122.458 121.223 0.037 0.000 2.493 397 L HA 0.511 4.851 4.340 0.001 0.000 0.265 397 L C -0.793 176.101 176.870 0.040 0.000 0.954 397 L CA -0.733 54.144 54.840 0.061 0.000 0.844 397 L CB 1.548 43.675 42.059 0.114 0.000 1.302 397 L HN 0.419 nan 8.230 nan 0.000 0.405 398 N N 3.324 122.038 118.700 0.024 0.000 3.117 398 N HA 0.158 4.898 4.740 0.001 0.000 0.323 398 N C -0.889 174.613 175.510 -0.012 0.000 1.245 398 N CA 0.350 53.402 53.050 0.003 0.000 1.191 398 N CB -0.858 37.628 38.487 -0.002 0.000 1.451 398 N HN 0.824 nan 8.380 nan 0.000 0.555 399 N N -0.342 118.366 118.700 0.014 0.000 3.217 399 N HA 0.160 4.901 4.740 0.001 0.000 0.236 399 N C -2.005 173.554 175.510 0.082 0.000 1.136 399 N CA -0.494 52.564 53.050 0.013 0.000 0.997 399 N CB 1.029 39.526 38.487 0.017 0.000 1.658 399 N HN 0.077 nan 8.380 nan 0.000 0.527 400 C N 2.502 121.786 119.300 -0.027 0.000 3.130 400 C HA 0.329 4.789 4.460 0.001 0.000 0.386 400 C C 0.267 175.169 174.990 -0.147 0.000 1.064 400 C CA -1.438 57.593 59.018 0.022 0.000 1.298 400 C CB -1.660 26.134 27.740 0.091 0.000 1.675 400 C HN 0.799 nan 8.230 nan 0.000 0.527 401 C N 1.000 120.044 119.300 -0.426 0.000 2.531 401 C HA 0.960 5.420 4.460 0.001 0.000 0.369 401 C C 0.110 175.007 174.990 -0.155 0.000 1.258 401 C CA -0.512 58.289 59.018 -0.361 0.000 1.876 401 C CB 0.452 27.846 27.740 -0.578 0.000 2.256 401 C HN 0.702 nan 8.230 nan 0.000 0.510 402 V N 2.988 122.846 119.914 -0.094 0.000 2.583 402 V HA 0.259 4.380 4.120 0.001 0.000 0.287 402 V C 0.768 176.870 176.094 0.014 0.000 1.051 402 V CA -0.169 62.122 62.300 -0.016 0.000 1.010 402 V CB 0.815 32.627 31.823 -0.019 0.000 0.988 402 V HN 0.916 nan 8.190 nan 0.000 0.478 403 M N 4.517 124.153 119.600 0.060 0.000 2.232 403 M HA 0.300 4.780 4.480 0.001 0.000 0.321 403 M C 0.206 176.530 176.300 0.039 0.000 1.101 403 M CA 0.494 55.840 55.300 0.077 0.000 1.181 403 M CB 0.364 33.016 32.600 0.086 0.000 1.432 403 M HN 0.889 nan 8.290 nan 0.000 0.457 404 E N 1.983 122.202 120.200 0.032 0.000 2.294 404 E HA 0.203 4.554 4.350 0.001 0.000 0.272 404 E C -1.932 174.616 176.600 -0.087 0.000 0.896 404 E CA -0.733 55.650 56.400 -0.028 0.000 0.802 404 E CB 1.008 30.656 29.700 -0.087 0.000 1.267 404 E HN 0.647 nan 8.360 nan 0.000 0.406 405 Y N 2.892 123.105 120.300 -0.144 0.000 2.402 405 Y HA 0.163 4.713 4.550 0.001 0.000 0.333 405 Y C -0.639 175.146 175.900 -0.191 0.000 1.076 405 Y CA 0.057 58.081 58.100 -0.126 0.000 1.299 405 Y CB 0.589 39.033 38.460 -0.028 0.000 1.197 405 Y HN 0.577 nan 8.280 nan 0.000 0.517 406 H N 5.002 123.798 119.070 -0.456 0.000 2.821 406 H HA 0.187 4.743 4.556 0.001 0.000 0.262 406 H C -0.467 174.431 175.328 -0.718 0.000 1.402 406 H CA -0.912 54.895 56.048 -0.402 0.000 1.293 406 H CB 0.135 29.752 29.762 -0.243 0.000 1.533 406 H HN 0.630 nan 8.280 nan 0.000 0.528 407 Q N 1.569 121.085 119.800 -0.473 0.000 2.342 407 Q HA 0.145 4.486 4.340 0.001 0.000 0.330 407 Q C 0.734 176.659 176.000 -0.124 0.000 1.117 407 Q CA 0.554 56.256 55.803 -0.167 0.000 1.010 407 Q CB 0.225 29.083 28.738 0.201 0.000 1.204 407 Q HN 0.775 nan 8.270 nan 0.000 0.400 408 A N 1.450 124.223 122.820 -0.079 0.000 2.800 408 A HA -0.211 4.109 4.320 0.001 0.000 0.292 408 A C 0.612 178.132 177.584 -0.108 0.000 1.474 408 A CA 1.197 53.195 52.037 -0.066 0.000 0.744 408 A CB -2.274 16.707 19.000 -0.032 0.000 1.044 408 A HN 0.858 nan 8.150 nan 0.000 0.489 409 T N -3.240 111.218 114.554 -0.160 0.000 3.285 409 T HA 0.417 4.767 4.350 0.001 0.000 0.263 409 T C 2.233 176.831 174.700 -0.171 0.000 0.836 409 T CA 1.177 63.188 62.100 -0.149 0.000 0.849 409 T CB -0.041 68.737 68.868 -0.149 0.000 1.252 409 T HN 2.283 nan 8.240 nan 0.000 0.617 410 G N 2.689 111.321 108.800 -0.279 0.000 2.184 410 G HA2 -0.283 3.677 3.960 0.001 0.000 0.264 410 G HA3 -0.283 3.677 3.960 0.001 0.000 0.264 410 G C 0.298 175.074 174.900 -0.208 0.000 0.975 410 G CA 0.613 45.572 45.100 -0.235 0.000 0.642 410 G HN 1.115 nan 8.290 nan 0.000 0.536 411 T N -0.913 113.507 114.554 -0.222 0.000 2.743 411 T HA 0.552 4.903 4.350 0.001 0.000 0.290 411 T C 0.618 175.277 174.700 -0.068 0.000 0.908 411 T CA -0.528 61.515 62.100 -0.095 0.000 1.092 411 T CB 1.547 70.402 68.868 -0.022 0.000 0.882 411 T HN 0.524 nan 8.240 nan 0.000 0.531 412 L N 4.053 125.283 121.223 0.011 0.000 2.395 412 L HA 0.227 4.567 4.340 0.001 0.000 0.268 412 L C 0.525 177.420 176.870 0.041 0.000 1.223 412 L CA -0.309 54.571 54.840 0.067 0.000 1.093 412 L CB -0.283 41.836 42.059 0.100 0.000 1.349 412 L HN 0.763 nan 8.230 nan 0.000 0.427 413 S N 2.136 117.863 115.700 0.045 0.000 2.634 413 S HA 0.685 5.155 4.470 0.001 0.000 0.261 413 S C 0.074 174.717 174.600 0.071 0.000 1.271 413 S CA -0.298 57.925 58.200 0.038 0.000 0.985 413 S CB 1.471 64.800 63.200 0.216 0.000 0.968 413 S HN 0.661 nan 8.310 nan 0.000 0.568 414 A N 1.754 124.592 122.820 0.029 0.000 2.604 414 A HA 0.512 4.832 4.320 0.001 0.000 0.285 414 A C -1.608 176.087 177.584 0.185 0.000 1.095 414 A CA -0.693 51.451 52.037 0.179 0.000 0.842 414 A CB 0.117 19.288 19.000 0.286 0.000 1.385 414 A HN 0.802 nan 8.150 nan 0.000 0.404 415 H N 1.027 120.192 119.070 0.158 0.000 2.604 415 H HA 0.497 5.053 4.556 0.000 0.000 0.306 415 H C -0.965 174.490 175.328 0.212 0.000 1.075 415 H CA -0.575 55.592 56.048 0.197 0.000 1.357 415 H CB 0.449 30.273 29.762 0.104 0.000 1.426 415 H HN 0.479 nan 8.280 nan 0.000 0.470 416 F N 3.235 123.262 119.950 0.128 0.000 2.509 416 F HA 0.212 4.739 4.527 0.001 0.000 0.344 416 F C 1.230 177.047 175.800 0.029 0.000 1.197 416 F CA -0.698 57.353 58.000 0.085 0.000 1.294 416 F CB 0.122 39.197 39.000 0.125 0.000 1.643 416 F HN 0.533 nan 8.300 nan 0.000 0.596 417 R N 0.302 120.891 120.500 0.148 0.000 2.328 417 R HA 0.096 4.436 4.340 0.001 0.000 0.200 417 R C -0.548 175.762 176.300 0.017 0.000 0.983 417 R CA 0.313 56.467 56.100 0.089 0.000 1.062 417 R CB -0.457 29.890 30.300 0.079 0.000 0.956 417 R HN 0.438 nan 8.270 nan 0.000 0.479 418 N N 0.752 119.436 118.700 -0.028 0.000 2.824 418 N HA 0.136 4.877 4.740 0.001 0.000 0.224 418 N C -0.857 174.552 175.510 -0.169 0.000 1.418 418 N CA -0.302 52.695 53.050 -0.089 0.000 0.743 418 N CB 0.410 38.870 38.487 -0.046 0.000 1.395 418 N HN -0.025 nan 8.380 nan 0.000 0.548 419 M N 0.391 119.749 119.600 -0.403 0.000 2.219 419 M HA 0.445 4.925 4.480 0.001 0.000 0.280 419 M C 0.173 176.221 176.300 -0.421 0.000 1.189 419 M CA -0.290 54.694 55.300 -0.526 0.000 1.010 419 M CB 1.164 33.208 32.600 -0.928 0.000 1.422 419 M HN 0.350 nan 8.290 nan 0.000 0.504 420 S N 0.453 116.090 115.700 -0.104 0.000 2.535 420 S HA 0.523 4.993 4.470 0.001 0.000 0.272 420 S C -1.569 173.177 174.600 0.243 0.000 1.149 420 S CA -0.805 57.493 58.200 0.163 0.000 0.888 420 S CB 1.176 64.413 63.200 0.063 0.000 1.110 420 S HN 0.502 nan 8.310 nan 0.000 0.463 421 L N 3.315 124.680 121.223 0.237 0.000 2.360 421 L HA 0.703 5.044 4.340 0.001 0.000 0.271 421 L C -0.471 176.417 176.870 0.031 0.000 1.057 421 L CA -0.196 54.703 54.840 0.099 0.000 0.803 421 L CB 1.507 43.566 42.059 -0.000 0.000 1.207 421 L HN 0.793 nan 8.230 nan 0.000 0.445 422 K N 2.452 122.847 120.400 -0.007 0.000 2.557 422 K HA 0.558 4.878 4.320 0.001 0.000 0.257 422 K C -1.149 175.425 176.600 -0.044 0.000 0.933 422 K CA -0.879 55.398 56.287 -0.016 0.000 0.820 422 K CB 2.713 35.214 32.500 0.002 0.000 1.330 422 K HN 0.525 nan 8.250 nan 0.000 0.432 434 S N -2.305 113.424 115.700 0.049 0.000 2.587 434 S HA 0.307 4.777 4.470 0.001 0.000 0.269 434 S C 0.629 175.270 174.600 0.069 0.000 1.154 434 S CA -0.671 57.571 58.200 0.070 0.000 0.824 434 S CB 1.780 65.041 63.200 0.102 0.000 1.118 434 S HN -0.121 nan 8.310 nan 0.000 0.462 435 V N 0.943 120.916 119.914 0.098 0.000 2.515 435 V HA -0.083 4.037 4.120 0.001 0.000 0.250 435 V C 2.590 178.767 176.094 0.139 0.000 1.058 435 V CA 2.405 64.783 62.300 0.129 0.000 1.064 435 V CB -0.620 31.300 31.823 0.162 0.000 0.675 435 V HN 1.065 nan 8.190 nan 0.000 0.461 436 T N -1.005 113.637 114.554 0.148 0.000 3.085 436 T HA -0.052 4.298 4.350 0.001 0.000 0.263 436 T C 1.407 176.166 174.700 0.098 0.000 1.127 436 T CA 0.971 63.158 62.100 0.146 0.000 1.103 436 T CB -0.115 68.873 68.868 0.200 0.000 0.921 436 T HN 0.605 nan 8.240 nan 0.000 0.510 437 E N 0.178 120.411 120.200 0.055 0.000 2.526 437 E HA 0.136 4.486 4.350 0.001 0.000 0.208 437 E C -0.040 176.491 176.600 -0.114 0.000 0.997 437 E CA -0.122 56.255 56.400 -0.038 0.000 0.961 437 E CB 0.581 30.256 29.700 -0.041 0.000 1.030 437 E HN 0.492 nan 8.360 nan 0.000 0.483 438 E N 2.169 122.324 120.200 -0.075 0.000 2.220 438 E HA 0.043 4.393 4.350 0.001 0.000 0.272 438 E C -0.648 175.779 176.600 -0.289 0.000 1.099 438 E CA 0.342 56.626 56.400 -0.193 0.000 0.907 438 E CB 0.485 30.143 29.700 -0.070 0.000 1.022 438 E HN -0.055 nan 8.360 nan 0.000 0.428 439 K N 3.182 123.319 120.400 -0.439 0.000 2.201 439 K HA 0.353 4.673 4.320 0.001 0.000 0.278 439 K C -0.829 175.363 176.600 -0.679 0.000 1.027 439 K CA -0.228 55.772 56.287 -0.479 0.000 0.909 439 K CB 0.775 32.951 32.500 -0.540 0.000 1.062 439 K HN 0.264 nan 8.250 nan 0.000 0.465 440 F N -0.048 119.750 119.950 -0.252 0.000 2.593 440 F HA 0.395 4.923 4.527 0.000 0.000 0.320 440 F C 0.473 176.171 175.800 -0.171 0.000 1.060 440 F CA -0.859 57.053 58.000 -0.147 0.000 0.940 440 F CB 2.349 41.292 39.000 -0.094 0.000 1.268 440 F HN 0.277 nan 8.300 nan 0.000 0.475 441 T N 1.240 115.902 114.554 0.180 0.000 2.886 441 T HA 0.609 4.959 4.350 0.001 0.000 0.292 441 T C -1.474 173.326 174.700 0.166 0.000 1.012 441 T CA -0.603 61.606 62.100 0.181 0.000 0.982 441 T CB 1.097 70.211 68.868 0.409 0.000 1.018 441 T HN 0.357 nan 8.240 nan 0.000 0.451 442 V N 6.130 126.130 119.914 0.143 0.000 2.427 442 V HA 0.386 4.506 4.120 0.001 0.000 0.268 442 V C 0.413 176.562 176.094 0.093 0.000 1.046 442 V CA -0.688 61.654 62.300 0.070 0.000 0.970 442 V CB 0.467 32.350 31.823 0.101 0.000 1.001 442 V HN 0.818 nan 8.190 nan 0.000 0.476 443 L N 6.011 127.224 121.223 -0.017 0.000 2.312 443 L HA 0.603 4.943 4.340 0.001 0.000 0.281 443 L C -0.908 175.895 176.870 -0.111 0.000 1.070 443 L CA 0.381 55.258 54.840 0.061 0.000 0.805 443 L CB 0.693 42.794 42.059 0.070 0.000 1.174 443 L HN 0.450 nan 8.230 nan 0.000 0.434 444 F N 3.551 123.570 119.950 0.114 0.000 2.375 444 F HA 0.440 4.967 4.527 0.001 0.000 0.361 444 F C -0.082 175.923 175.800 0.341 0.000 1.117 444 F CA -0.521 57.581 58.000 0.171 0.000 1.037 444 F CB 1.253 40.290 39.000 0.062 0.000 1.192 444 F HN 0.551 nan 8.300 nan 0.000 0.452 445 E N 1.098 121.512 120.200 0.356 0.000 2.238 445 E HA 0.782 5.132 4.350 0.001 0.000 0.267 445 E C -1.079 175.630 176.600 0.181 0.000 0.887 445 E CA -1.060 55.479 56.400 0.231 0.000 0.769 445 E CB 2.445 32.218 29.700 0.121 0.000 1.187 445 E HN 0.353 nan 8.360 nan 0.000 0.416 446 S N 1.525 117.223 115.700 -0.003 0.000 2.570 446 S HA 0.308 4.778 4.470 0.001 0.000 0.270 446 S C -1.643 172.921 174.600 -0.061 0.000 1.149 446 S CA -0.619 57.593 58.200 0.020 0.000 0.837 446 S CB 1.849 65.066 63.200 0.028 0.000 1.124 446 S HN 0.611 nan 8.310 nan 0.000 0.465 447 Q N 1.453 121.282 119.800 0.048 0.000 2.421 447 Q HA 0.803 5.143 4.340 0.001 0.000 0.280 447 Q C -1.766 174.304 176.000 0.117 0.000 1.085 447 Q CA -0.831 54.935 55.803 -0.061 0.000 0.807 447 Q CB 1.970 30.692 28.738 -0.028 0.000 1.405 447 Q HN 0.790 nan 8.270 nan 0.000 0.419 448 F N -2.038 117.923 119.950 0.019 0.000 2.985 448 F HA 0.408 4.935 4.527 0.000 0.000 0.332 448 F C -1.787 174.041 175.800 0.047 0.000 1.126 448 F CA -1.129 56.886 58.000 0.024 0.000 0.884 448 F CB 0.285 39.298 39.000 0.022 0.000 1.361 448 F HN 0.349 nan 8.300 nan 0.000 0.450 449 S N 0.695 116.593 115.700 0.330 0.000 2.501 449 S HA 0.855 5.325 4.470 0.001 0.000 0.301 449 S C -1.047 173.730 174.600 0.296 0.000 1.096 449 S CA -0.860 57.462 58.200 0.203 0.000 1.063 449 S CB 1.899 65.145 63.200 0.077 0.000 1.042 449 S HN 0.766 nan 8.310 nan 0.000 0.494 450 V N 2.072 122.138 119.914 0.253 0.000 2.472 450 V HA 0.841 4.961 4.120 0.001 0.000 0.290 450 V C 0.994 177.105 176.094 0.029 0.000 1.037 450 V CA 0.579 62.969 62.300 0.150 0.000 0.908 450 V CB 0.295 32.259 31.823 0.236 0.000 0.985 450 V HN 1.518 nan 8.190 nan 0.000 0.454 451 G N 3.994 112.700 108.800 -0.157 0.000 2.681 451 G HA2 -0.203 3.757 3.960 0.001 0.000 0.220 451 G HA3 -0.203 3.757 3.960 0.001 0.000 0.220 451 G C 0.772 175.709 174.900 0.061 0.000 1.353 451 G CA 0.014 45.084 45.100 -0.051 0.000 0.872 451 G HN 0.730 nan 8.290 nan 0.000 0.557 452 S N -0.514 115.269 115.700 0.138 0.000 2.374 452 S HA -0.143 4.327 4.470 0.001 0.000 0.227 452 S C 1.766 176.406 174.600 0.066 0.000 1.037 452 S CA 2.570 60.820 58.200 0.084 0.000 1.024 452 S CB -0.207 63.051 63.200 0.097 0.000 0.861 452 S HN 1.134 nan 8.310 nan 0.000 0.456 453 N N -1.463 117.293 118.700 0.094 0.000 2.378 453 N HA -0.076 4.664 4.740 0.001 0.000 0.317 453 N C 1.023 176.582 175.510 0.081 0.000 0.705 453 N CA 0.711 53.803 53.050 0.070 0.000 0.671 453 N CB -0.416 38.094 38.487 0.037 0.000 2.307 453 N HN 0.180 nan 8.380 nan 0.000 1.211 454 E N 0.977 121.232 120.200 0.091 0.000 2.360 454 E HA -0.298 4.053 4.350 0.001 0.000 0.251 454 E C -0.091 176.512 176.600 0.005 0.000 1.042 454 E CA 1.207 57.639 56.400 0.053 0.000 1.063 454 E CB -0.849 28.889 29.700 0.063 0.000 0.970 454 E HN 0.220 nan 8.360 nan 0.000 0.513 455 L N 1.291 122.536 121.223 0.037 0.000 2.410 455 L HA 0.198 4.538 4.340 0.001 0.000 0.273 455 L C -0.061 176.666 176.870 -0.237 0.000 1.152 455 L CA 0.204 54.965 54.840 -0.131 0.000 0.855 455 L CB 1.332 43.380 42.059 -0.018 0.000 1.129 455 L HN 0.292 nan 8.230 nan 0.000 0.463 456 V N 5.182 124.806 119.914 -0.484 0.000 2.638 456 V HA 0.631 4.751 4.120 0.001 0.000 0.306 456 V C -1.061 174.623 176.094 -0.684 0.000 1.052 456 V CA -0.432 61.626 62.300 -0.404 0.000 0.885 456 V CB 1.603 33.305 31.823 -0.202 0.000 0.999 456 V HN 0.505 nan 8.190 nan 0.000 0.424 457 F N 3.748 123.514 119.950 -0.306 0.000 2.593 457 F HA 0.679 5.206 4.527 0.001 0.000 0.320 457 F C 0.044 175.567 175.800 -0.461 0.000 1.060 457 F CA -0.658 57.115 58.000 -0.377 0.000 0.940 457 F CB 2.394 41.111 39.000 -0.471 0.000 1.268 457 F HN 0.538 nan 8.300 nan 0.000 0.475 458 Q N 1.976 121.720 119.800 -0.093 0.000 2.363 458 Q HA 0.594 4.935 4.340 0.001 0.000 0.265 458 Q C -1.016 174.889 176.000 -0.159 0.000 1.032 458 Q CA -0.983 54.723 55.803 -0.162 0.000 0.746 458 Q CB 2.078 30.765 28.738 -0.084 0.000 1.237 458 Q HN 0.544 nan 8.270 nan 0.000 0.475 459 V N -0.062 119.669 119.914 -0.305 0.000 2.607 459 V HA 0.576 4.696 4.120 0.001 0.000 0.289 459 V C -0.427 175.553 176.094 -0.190 0.000 1.053 459 V CA -0.462 61.649 62.300 -0.315 0.000 0.996 459 V CB 1.026 32.463 31.823 -0.643 0.000 0.995 459 V HN 0.684 nan 8.190 nan 0.000 0.476 460 K N 1.838 122.266 120.400 0.047 0.000 2.435 460 K HA 0.765 5.086 4.320 0.001 0.000 0.251 460 K C -0.855 175.966 176.600 0.367 0.000 0.954 460 K CA -0.530 55.881 56.287 0.207 0.000 0.820 460 K CB 2.346 34.920 32.500 0.124 0.000 1.292 460 K HN 0.964 nan 8.250 nan 0.000 0.436 461 T N 1.650 116.446 114.554 0.403 0.000 3.193 461 T HA 0.425 4.776 4.350 0.001 0.000 0.332 461 T C -1.667 173.190 174.700 0.263 0.000 1.208 461 T CA -0.659 61.616 62.100 0.292 0.000 1.080 461 T CB 0.594 69.578 68.868 0.193 0.000 1.180 461 T HN 0.356 nan 8.240 nan 0.000 0.469 462 L N 3.932 125.268 121.223 0.189 0.000 2.322 462 L HA 0.611 4.951 4.340 0.001 0.000 0.279 462 L C 0.965 177.959 176.870 0.207 0.000 1.036 462 L CA -0.861 54.102 54.840 0.205 0.000 0.807 462 L CB 1.889 44.038 42.059 0.150 0.000 1.226 462 L HN 0.830 nan 8.230 nan 0.000 0.433 463 S N 3.104 118.958 115.700 0.256 0.000 2.617 463 S HA 0.464 4.934 4.470 0.001 0.000 0.269 463 S C 0.031 174.744 174.600 0.189 0.000 1.292 463 S CA -0.857 57.463 58.200 0.201 0.000 1.010 463 S CB 0.769 64.114 63.200 0.241 0.000 0.944 463 S HN 0.435 nan 8.310 nan 0.000 0.536 464 L N 1.678 122.973 121.223 0.120 0.000 2.483 464 L HA 0.246 4.587 4.340 0.001 0.000 0.277 464 L C -1.941 174.969 176.870 0.065 0.000 1.248 464 L CA -1.557 53.351 54.840 0.113 0.000 0.825 464 L CB -0.375 41.707 42.059 0.037 0.000 1.096 464 L HN 0.529 nan 8.230 nan 0.000 0.512 465 P HA 0.199 nan 4.420 nan 0.000 0.274 465 P C -0.973 176.213 177.300 -0.190 0.000 1.246 465 P CA -0.223 62.682 63.100 -0.325 0.000 0.795 465 P CB 0.984 32.299 31.700 -0.643 0.000 1.006 466 V N 1.283 121.086 119.914 -0.185 0.000 2.925 466 V HA 0.347 4.467 4.120 0.001 0.000 0.311 466 V C -0.662 175.412 176.094 -0.035 0.000 1.104 466 V CA -0.738 61.507 62.300 -0.092 0.000 0.954 466 V CB 2.732 34.511 31.823 -0.074 0.000 1.022 466 V HN 0.151 nan 8.190 nan 0.000 0.427 467 V N 4.901 124.791 119.914 -0.039 0.000 2.350 467 V HA 0.421 4.541 4.120 0.001 0.000 0.285 467 V C -0.281 175.793 176.094 -0.034 0.000 1.014 467 V CA -0.642 61.666 62.300 0.013 0.000 0.831 467 V CB 1.683 33.494 31.823 -0.020 0.000 1.000 467 V HN 0.582 nan 8.190 nan 0.000 0.433 468 V N 6.757 126.672 119.914 0.002 0.000 2.461 468 V HA 0.478 4.599 4.120 0.001 0.000 0.275 468 V C -0.016 176.015 176.094 -0.104 0.000 1.047 468 V CA -0.329 61.885 62.300 -0.144 0.000 0.955 468 V CB 1.161 32.763 31.823 -0.368 0.000 0.988 468 V HN 0.812 nan 8.190 nan 0.000 0.471 469 I N 3.153 123.619 120.570 -0.173 0.000 2.411 469 I HA 0.638 4.809 4.170 0.001 0.000 0.284 469 I C -0.535 175.527 176.117 -0.091 0.000 1.012 469 I CA -0.719 60.414 61.300 -0.279 0.000 1.119 469 I CB 1.819 39.410 38.000 -0.683 0.000 1.261 469 I HN 0.330 nan 8.210 nan 0.000 0.448 470 V N 6.818 126.813 119.914 0.135 0.000 2.318 470 V HA 0.553 4.673 4.120 0.001 0.000 0.271 470 V C -0.839 175.468 176.094 0.356 0.000 1.030 470 V CA 0.557 62.960 62.300 0.171 0.000 0.844 470 V CB 0.306 32.181 31.823 0.087 0.000 1.015 470 V HN 0.876 nan 8.190 nan 0.000 0.460 471 H N 2.869 121.939 119.070 -0.000 0.000 3.161 471 H HA 0.699 5.255 4.556 0.001 0.000 0.285 471 H C 0.707 176.037 175.328 0.003 0.000 1.588 471 H CA 0.190 56.240 56.048 0.004 0.000 1.218 471 H CB 1.577 31.339 29.762 -0.001 0.000 1.841 471 H HN 0.500 nan 8.280 nan 0.000 0.623 472 G N -0.574 108.285 108.800 0.098 0.000 2.558 472 G HA2 0.293 4.253 3.960 0.001 0.000 0.218 472 G HA3 0.293 4.253 3.960 0.001 0.000 0.218 472 G C -0.553 174.420 174.900 0.122 0.000 1.567 472 G CA 0.301 45.446 45.100 0.076 0.000 0.950 472 G HN 0.391 nan 8.290 nan 0.000 0.517 473 S N -0.618 115.154 115.700 0.120 0.000 2.668 473 S HA 0.487 4.958 4.470 0.001 0.000 0.277 473 S C -1.076 173.608 174.600 0.141 0.000 1.170 473 S CA -0.423 57.837 58.200 0.100 0.000 0.994 473 S CB 1.896 65.078 63.200 -0.030 0.000 1.051 473 S HN 0.358 nan 8.310 nan 0.000 0.484 474 Q N 1.674 121.628 119.800 0.257 0.000 2.656 474 Q HA 0.259 4.600 4.340 0.001 0.000 0.389 474 Q C 0.355 176.343 176.000 -0.019 0.000 0.883 474 Q CA -0.225 55.678 55.803 0.166 0.000 1.056 474 Q CB 0.514 29.488 28.738 0.393 0.000 1.391 474 Q HN 0.617 nan 8.270 nan 0.000 0.399 475 D N -0.060 120.239 120.400 -0.168 0.000 2.158 475 D HA -0.215 4.425 4.640 0.001 0.000 0.197 475 D C 0.859 177.187 176.300 0.047 0.000 0.995 475 D CA 1.509 55.431 54.000 -0.130 0.000 0.846 475 D CB 0.364 41.045 40.800 -0.199 0.000 0.941 475 D HN 0.631 nan 8.370 nan 0.000 0.456 476 H N 0.149 119.323 119.070 0.172 0.000 2.290 476 H HA -0.052 4.504 4.556 0.001 0.000 0.298 476 H C 2.109 177.693 175.328 0.427 0.000 1.087 476 H CA 0.941 57.166 56.048 0.295 0.000 1.291 476 H CB 0.098 29.971 29.762 0.184 0.000 1.369 476 H HN 0.078 nan 8.280 nan 0.000 0.492 477 N N 0.442 119.387 118.700 0.409 0.000 2.142 477 N HA -0.082 4.658 4.740 0.001 0.000 0.186 477 N C 2.086 177.733 175.510 0.229 0.000 1.023 477 N CA 0.974 54.218 53.050 0.324 0.000 0.852 477 N CB -0.188 38.459 38.487 0.267 0.000 0.998 477 N HN 0.328 nan 8.380 nan 0.000 0.424 478 A N 0.383 123.304 122.820 0.167 0.000 1.877 478 A HA -0.118 4.202 4.320 0.001 0.000 0.216 478 A C 2.341 179.975 177.584 0.085 0.000 1.186 478 A CA 1.880 53.971 52.037 0.089 0.000 0.620 478 A CB -1.206 17.802 19.000 0.013 0.000 0.822 478 A HN 0.255 nan 8.150 nan 0.000 0.443 479 T N -0.508 114.130 114.554 0.140 0.000 2.946 479 T HA 0.025 4.376 4.350 0.001 0.000 0.271 479 T C 1.809 176.514 174.700 0.009 0.000 1.104 479 T CA 1.452 63.642 62.100 0.150 0.000 1.114 479 T CB -0.378 68.668 68.868 0.297 0.000 0.867 479 T HN 0.555 nan 8.240 nan 0.000 0.513 480 A N 0.412 123.139 122.820 -0.155 0.000 1.861 480 A HA 0.003 4.324 4.320 0.001 0.000 0.212 480 A C 2.541 180.178 177.584 0.089 0.000 1.199 480 A CA 1.969 53.712 52.037 -0.491 0.000 0.613 480 A CB -1.334 17.138 19.000 -0.881 0.000 0.846 480 A HN 0.529 nan 8.150 nan 0.000 0.446 481 T N -1.218 113.461 114.554 0.208 0.000 2.897 481 T HA -0.099 4.251 4.350 0.001 0.000 0.271 481 T C 1.663 176.349 174.700 -0.023 0.000 1.084 481 T CA 1.901 64.023 62.100 0.037 0.000 1.123 481 T CB -0.471 68.336 68.868 -0.102 0.000 0.865 481 T HN 0.047 nan 8.240 nan 0.000 0.496 482 V N 1.556 121.464 119.914 -0.009 0.000 2.302 482 V HA -0.002 4.119 4.120 0.001 0.000 0.243 482 V C 2.644 178.719 176.094 -0.031 0.000 1.036 482 V CA 1.299 63.578 62.300 -0.034 0.000 1.020 482 V CB -0.707 31.099 31.823 -0.029 0.000 0.657 482 V HN 0.426 nan 8.190 nan 0.000 0.453 483 L N -0.851 120.354 121.223 -0.030 0.000 1.978 483 L HA -0.268 4.073 4.340 0.001 0.000 0.218 483 L C 2.256 179.041 176.870 -0.142 0.000 1.075 483 L CA 2.690 57.485 54.840 -0.075 0.000 0.767 483 L CB -1.062 40.935 42.059 -0.102 0.000 0.890 483 L HN 0.512 nan 8.230 nan 0.000 0.434 484 W N 0.892 122.058 121.300 -0.223 0.000 2.342 484 W HA -0.237 4.424 4.660 0.000 0.000 0.297 484 W C 2.648 179.014 176.519 -0.254 0.000 1.213 484 W CA 1.941 59.138 57.345 -0.246 0.000 1.251 484 W CB -0.242 29.282 29.460 0.107 0.000 1.136 484 W HN 0.360 nan 8.180 nan 0.000 0.526 485 D N -0.677 119.763 120.400 0.066 0.000 2.097 485 D HA -0.176 4.465 4.640 0.001 0.000 0.197 485 D C 1.477 177.725 176.300 -0.086 0.000 0.984 485 D CA 1.432 55.442 54.000 0.016 0.000 0.826 485 D CB -0.373 40.421 40.800 -0.010 0.000 0.973 485 D HN 0.321 nan 8.370 nan 0.000 0.460 486 N N 0.023 118.638 118.700 -0.142 0.000 2.142 486 N HA -0.110 4.630 4.740 0.001 0.000 0.186 486 N C 1.917 177.277 175.510 -0.250 0.000 1.023 486 N CA 0.928 53.885 53.050 -0.155 0.000 0.852 486 N CB 0.028 38.434 38.487 -0.134 0.000 0.998 486 N HN 0.116 nan 8.380 nan 0.000 0.424 487 A N 0.932 123.460 122.820 -0.487 0.000 1.841 487 A HA -0.059 4.262 4.320 0.001 0.000 0.214 487 A C 1.452 178.727 177.584 -0.514 0.000 1.195 487 A CA 1.177 52.780 52.037 -0.723 0.000 0.611 487 A CB -0.744 17.349 19.000 -1.512 0.000 0.835 487 A HN 0.313 nan 8.150 nan 0.000 0.443 488 F N 0.120 119.925 119.950 -0.243 0.000 2.727 488 F HA 0.455 4.982 4.527 0.001 0.000 0.302 488 F C 1.311 177.028 175.800 -0.140 0.000 1.097 488 F CA -0.219 57.621 58.000 -0.267 0.000 1.330 488 F CB 0.022 38.713 39.000 -0.515 0.000 1.084 488 F HN 0.172 nan 8.300 nan 0.000 0.578 489 A N 1.246 124.079 122.820 0.023 0.000 2.566 489 A HA 0.005 4.326 4.320 0.001 0.000 0.245 489 A C 0.303 177.907 177.584 0.033 0.000 1.056 489 A CA -0.053 52.010 52.037 0.043 0.000 0.757 489 A CB -0.109 18.913 19.000 0.036 0.000 0.979 489 A HN 0.232 nan 8.150 nan 0.000 0.508 490 E N 2.348 122.568 120.200 0.034 0.000 2.383 490 E HA 0.359 4.709 4.350 0.001 0.000 0.264 490 E C -2.338 174.269 176.600 0.012 0.000 1.050 490 E CA -1.709 54.702 56.400 0.018 0.000 0.896 490 E CB 0.253 29.963 29.700 0.016 0.000 0.982 490 E HN 0.412 nan 8.360 nan 0.000 0.424 491 P HA 0.156 nan 4.420 nan 0.000 0.271 491 P C -0.013 177.288 177.300 0.002 0.000 1.220 491 P CA 0.474 63.579 63.100 0.007 0.000 0.768 491 P CB 0.782 32.487 31.700 0.009 0.000 0.848 492 G N 2.533 111.332 108.800 -0.002 0.000 2.249 492 G HA2 -0.308 3.653 3.960 0.001 0.000 0.273 492 G HA3 -0.308 3.653 3.960 0.001 0.000 0.273 492 G C -0.059 174.827 174.900 -0.024 0.000 1.036 492 G CA -0.172 44.921 45.100 -0.013 0.000 0.824 492 G HN 0.683 nan 8.290 nan 0.000 0.504 493 R N -0.716 119.769 120.500 -0.024 0.000 2.522 493 R HA 0.468 4.808 4.340 0.001 0.000 0.284 493 R C 0.730 176.982 176.300 -0.080 0.000 1.032 493 R CA -0.258 55.822 56.100 -0.033 0.000 1.049 493 R CB 0.785 31.079 30.300 -0.010 0.000 0.956 493 R HN 0.699 nan 8.270 nan 0.000 0.422 494 V N 6.151 126.020 119.914 -0.076 0.000 2.506 494 V HA -0.028 4.092 4.120 0.001 0.000 0.296 494 V C -1.332 174.640 176.094 -0.203 0.000 1.004 494 V CA -0.747 61.486 62.300 -0.111 0.000 1.150 494 V CB 0.271 32.052 31.823 -0.070 0.000 0.911 494 V HN 0.774 nan 8.190 nan 0.000 0.476 495 P HA -0.293 nan 4.420 nan 0.000 0.241 495 P C 0.392 177.161 177.300 -0.884 0.000 0.753 495 P CA 2.523 65.140 63.100 -0.804 0.000 1.066 495 P CB -0.204 30.975 31.700 -0.868 0.000 0.755 496 F N -2.542 117.396 119.950 -0.021 0.000 2.963 496 F HA 0.496 5.023 4.527 0.000 0.000 0.321 496 F C 0.669 176.454 175.800 -0.023 0.000 1.234 496 F CA -0.750 57.233 58.000 -0.029 0.000 1.296 496 F CB -0.050 38.919 39.000 -0.052 0.000 0.981 496 F HN -0.099 nan 8.300 nan 0.000 0.507 497 A N 1.706 124.567 122.820 0.067 0.000 2.410 497 A HA 0.540 4.860 4.320 0.001 0.000 0.292 497 A C 0.171 177.811 177.584 0.093 0.000 1.232 497 A CA -0.373 51.699 52.037 0.058 0.000 0.893 497 A CB -0.505 18.506 19.000 0.020 0.000 1.131 497 A HN 0.287 nan 8.150 nan 0.000 0.530 498 V N 1.393 121.381 119.914 0.122 0.000 2.834 498 V HA 0.648 4.769 4.120 0.001 0.000 0.313 498 V C -2.237 173.991 176.094 0.222 0.000 1.060 498 V CA -2.261 60.158 62.300 0.198 0.000 0.989 498 V CB 0.480 32.468 31.823 0.275 0.000 1.041 498 V HN 0.671 nan 8.190 nan 0.000 0.459 499 P HA 0.218 nan 4.420 nan 0.000 0.272 499 P C -0.138 177.446 177.300 0.472 0.000 1.248 499 P CA 0.117 63.364 63.100 0.244 0.000 0.799 499 P CB 0.599 32.315 31.700 0.026 0.000 0.997 500 D N -1.869 118.741 120.400 0.349 0.000 2.597 500 D HA 0.024 4.664 4.640 0.001 0.000 0.261 500 D C 0.072 176.656 176.300 0.473 0.000 1.023 500 D CA 0.532 54.738 54.000 0.343 0.000 0.927 500 D CB 0.348 41.247 40.800 0.165 0.000 1.168 500 D HN 0.307 nan 8.370 nan 0.000 0.491 501 K N -0.391 120.198 120.400 0.314 0.000 2.258 501 K HA 0.716 5.036 4.320 0.001 0.000 0.236 501 K C -1.148 175.475 176.600 0.037 0.000 1.008 501 K CA -1.017 55.420 56.287 0.251 0.000 0.869 501 K CB 2.830 35.425 32.500 0.157 0.000 1.171 501 K HN -0.136 nan 8.250 nan 0.000 0.447 502 V N 1.245 121.116 119.914 -0.071 0.000 3.000 502 V HA 0.148 4.268 4.120 0.001 0.000 0.300 502 V C -1.480 174.512 176.094 -0.171 0.000 1.251 502 V CA -1.025 61.053 62.300 -0.369 0.000 0.972 502 V CB 2.243 33.448 31.823 -1.029 0.000 1.065 502 V HN 0.569 nan 8.190 nan 0.000 0.431 503 L N 4.597 125.722 121.223 -0.162 0.000 2.410 503 L HA 0.172 4.512 4.340 0.001 0.000 0.273 503 L C 1.161 178.053 176.870 0.037 0.000 1.152 503 L CA 0.655 55.489 54.840 -0.009 0.000 0.855 503 L CB 0.306 42.352 42.059 -0.021 0.000 1.129 503 L HN 0.913 nan 8.230 nan 0.000 0.463 504 W N 6.426 127.742 121.300 0.027 0.000 2.280 504 W HA -0.260 4.401 4.660 0.001 0.000 0.332 504 W C -0.818 175.701 176.519 -0.000 0.000 1.300 504 W CA 2.129 59.513 57.345 0.064 0.000 1.274 504 W CB -1.003 28.566 29.460 0.181 0.000 1.141 504 W HN 0.539 nan 8.180 nan 0.000 0.474 505 P HA -0.244 nan 4.420 nan 0.000 0.221 505 P C 1.496 178.664 177.300 -0.220 0.000 1.145 505 P CA 2.502 65.500 63.100 -0.171 0.000 0.795 505 P CB -0.494 31.206 31.700 0.000 0.000 0.775 506 Q N -0.568 119.114 119.800 -0.197 0.000 2.096 506 Q HA -0.046 4.295 4.340 0.001 0.000 0.197 506 Q C 2.381 178.312 176.000 -0.116 0.000 0.964 506 Q CA 0.626 56.343 55.803 -0.144 0.000 0.838 506 Q CB -1.214 27.436 28.738 -0.147 0.000 0.906 506 Q HN 0.205 nan 8.270 nan 0.000 0.444 507 L N 0.838 121.894 121.223 -0.278 0.000 2.081 507 L HA -0.216 4.124 4.340 0.001 0.000 0.212 507 L C 2.364 178.980 176.870 -0.424 0.000 1.080 507 L CA 1.231 55.909 54.840 -0.271 0.000 0.754 507 L CB -0.355 41.425 42.059 -0.464 0.000 0.893 507 L HN 0.502 nan 8.230 nan 0.000 0.433 508 C N 0.502 119.418 119.300 -0.641 0.000 2.413 508 C HA -0.192 4.269 4.460 0.001 0.000 0.276 508 C C 2.539 177.390 174.990 -0.232 0.000 1.248 508 C CA 1.374 60.068 59.018 -0.539 0.000 1.742 508 C CB -0.991 26.440 27.740 -0.515 0.000 2.017 508 C HN 0.684 nan 8.230 nan 0.000 0.481 509 E N 1.200 121.305 120.200 -0.159 0.000 2.299 509 E HA 0.065 4.415 4.350 0.001 0.000 0.193 509 E C 1.963 178.535 176.600 -0.047 0.000 0.998 509 E CA 1.021 57.379 56.400 -0.070 0.000 0.851 509 E CB -0.232 29.439 29.700 -0.048 0.000 0.795 509 E HN 0.557 nan 8.360 nan 0.000 0.492 510 A N 2.321 125.095 122.820 -0.077 0.000 1.832 510 A HA -0.085 4.236 4.320 0.001 0.000 0.214 510 A C 2.285 179.888 177.584 0.031 0.000 1.200 510 A CA 1.170 53.155 52.037 -0.086 0.000 0.610 510 A CB -0.899 17.973 19.000 -0.212 0.000 0.842 510 A HN 0.236 nan 8.150 nan 0.000 0.444 511 L N -0.446 120.791 121.223 0.024 0.000 1.991 511 L HA -0.333 4.008 4.340 0.001 0.000 0.221 511 L C 2.566 179.623 176.870 0.313 0.000 1.079 511 L CA 2.221 57.145 54.840 0.139 0.000 0.778 511 L CB -0.824 41.124 42.059 -0.185 0.000 0.893 511 L HN 0.652 nan 8.230 nan 0.000 0.437 512 N N -0.422 118.373 118.700 0.158 0.000 2.061 512 N HA -0.278 4.462 4.740 0.001 0.000 0.193 512 N C 2.002 177.652 175.510 0.233 0.000 1.030 512 N CA 1.703 54.865 53.050 0.188 0.000 0.856 512 N CB -0.097 38.440 38.487 0.084 0.000 1.023 512 N HN 0.226 nan 8.380 nan 0.000 0.424 513 M N 0.373 120.061 119.600 0.147 0.000 2.065 513 M HA -0.220 4.261 4.480 0.001 0.000 0.259 513 M C 2.060 178.436 176.300 0.128 0.000 1.069 513 M CA 1.707 57.070 55.300 0.105 0.000 1.110 513 M CB -0.108 32.519 32.600 0.044 0.000 1.328 513 M HN -0.012 nan 8.290 nan 0.000 0.405 514 K N -0.005 120.501 120.400 0.177 0.000 2.097 514 K HA -0.181 4.139 4.320 0.001 0.000 0.206 514 K C 1.600 178.323 176.600 0.205 0.000 1.049 514 K CA 1.711 58.121 56.287 0.205 0.000 0.933 514 K CB -0.757 31.934 32.500 0.319 0.000 0.717 514 K HN 0.397 nan 8.250 nan 0.000 0.442 515 F N 1.667 121.704 119.950 0.145 0.000 2.026 515 F HA -0.246 4.281 4.527 0.001 0.000 0.296 515 F C 1.692 177.448 175.800 -0.073 0.000 1.133 515 F CA 1.958 59.968 58.000 0.017 0.000 1.188 515 F CB -0.213 38.823 39.000 0.059 0.000 0.968 515 F HN -0.050 nan 8.300 nan 0.000 0.476 516 K N 0.425 120.861 120.400 0.059 0.000 2.032 516 K HA -0.196 4.124 4.320 0.001 0.000 0.209 516 K C 2.292 178.818 176.600 -0.123 0.000 1.048 516 K CA 1.413 57.670 56.287 -0.051 0.000 0.927 516 K CB -0.984 31.570 32.500 0.091 0.000 0.712 516 K HN 0.398 nan 8.250 nan 0.000 0.441 517 A N 1.663 124.449 122.820 -0.056 0.000 1.917 517 A HA -0.261 4.059 4.320 0.001 0.000 0.219 517 A C 2.157 179.678 177.584 -0.105 0.000 1.182 517 A CA 2.111 54.114 52.037 -0.056 0.000 0.633 517 A CB -0.437 18.554 19.000 -0.014 0.000 0.819 517 A HN 0.384 nan 8.150 nan 0.000 0.448 518 E N -0.332 119.773 120.200 -0.158 0.000 2.051 518 E HA -0.089 4.261 4.350 0.001 0.000 0.189 518 E C 1.766 178.199 176.600 -0.278 0.000 0.979 518 E CA 1.577 57.864 56.400 -0.189 0.000 0.803 518 E CB -0.165 29.418 29.700 -0.195 0.000 0.761 518 E HN 0.500 nan 8.360 nan 0.000 0.451 519 V N -1.633 118.007 119.914 -0.457 0.000 3.541 519 V HA 0.108 4.229 4.120 0.001 0.000 0.267 519 V C 0.523 176.455 176.094 -0.271 0.000 1.213 519 V CA 0.546 62.564 62.300 -0.469 0.000 1.149 519 V CB -0.653 30.658 31.823 -0.853 0.000 0.822 519 V HN 0.309 nan 8.190 nan 0.000 0.462 520 Q N 0.574 120.249 119.800 -0.209 0.000 2.453 520 Q HA -0.191 4.150 4.340 0.001 0.000 0.330 520 Q C 0.128 176.094 176.000 -0.056 0.000 1.417 520 Q CA 0.907 56.646 55.803 -0.107 0.000 0.902 520 Q CB -1.282 27.405 28.738 -0.085 0.000 1.154 520 Q HN 0.892 nan 8.270 nan 0.000 0.395 521 S N -0.236 115.439 115.700 -0.042 0.000 2.588 521 S HA 0.569 5.039 4.470 0.001 0.000 0.275 521 S C -0.110 174.543 174.600 0.089 0.000 1.130 521 S CA -0.452 57.787 58.200 0.064 0.000 0.855 521 S CB 0.979 64.286 63.200 0.177 0.000 1.116 521 S HN 0.442 nan 8.310 nan 0.000 0.472 522 N N 1.595 120.368 118.700 0.122 0.000 2.346 522 N HA 0.223 4.964 4.740 0.001 0.000 0.225 522 N C -0.470 175.175 175.510 0.225 0.000 1.144 522 N CA -0.329 52.807 53.050 0.143 0.000 0.837 522 N CB -0.224 38.323 38.487 0.100 0.000 1.069 522 N HN 0.179 nan 8.380 nan 0.000 0.487 523 R N 0.798 121.507 120.500 0.347 0.000 2.419 523 R HA 0.448 4.789 4.340 0.001 0.000 0.305 523 R C 0.809 177.500 176.300 0.652 0.000 1.242 523 R CA -0.314 56.131 56.100 0.575 0.000 1.105 523 R CB -0.009 30.786 30.300 0.826 0.000 1.116 523 R HN 0.382 nan 8.270 nan 0.000 0.523 524 G N 1.222 110.284 108.800 0.436 0.000 2.543 524 G HA2 0.252 4.212 3.960 0.001 0.000 0.290 524 G HA3 0.252 4.212 3.960 0.001 0.000 0.290 524 G C -0.749 174.316 174.900 0.275 0.000 1.310 524 G CA -0.696 44.609 45.100 0.343 0.000 1.025 524 G HN 0.335 nan 8.290 nan 0.000 0.502 525 L N 1.949 123.193 121.223 0.035 0.000 2.536 525 L HA 0.189 4.529 4.340 0.001 0.000 0.282 525 L C 1.707 178.603 176.870 0.044 0.000 1.147 525 L CA -0.266 54.512 54.840 -0.102 0.000 0.936 525 L CB -0.861 41.062 42.059 -0.227 0.000 1.279 525 L HN 0.703 nan 8.230 nan 0.000 0.461 526 T N 0.079 114.705 114.554 0.120 0.000 2.734 526 T HA 0.091 4.441 4.350 0.001 0.000 0.314 526 T C 1.550 176.316 174.700 0.109 0.000 1.057 526 T CA -0.517 61.660 62.100 0.128 0.000 1.047 526 T CB 0.955 69.914 68.868 0.152 0.000 0.991 526 T HN 0.405 nan 8.240 nan 0.000 0.540 527 K N 0.893 121.361 120.400 0.114 0.000 2.032 527 K HA -0.176 4.145 4.320 0.001 0.000 0.218 527 K C 2.358 179.044 176.600 0.143 0.000 1.054 527 K CA 2.274 58.634 56.287 0.122 0.000 0.941 527 K CB -0.639 31.931 32.500 0.117 0.000 0.720 527 K HN 0.791 nan 8.250 nan 0.000 0.449 528 E N 0.334 120.623 120.200 0.148 0.000 2.038 528 E HA -0.205 4.146 4.350 0.001 0.000 0.195 528 E C 1.976 178.697 176.600 0.202 0.000 1.000 528 E CA 1.562 58.066 56.400 0.173 0.000 0.803 528 E CB -0.367 29.432 29.700 0.163 0.000 0.750 528 E HN 0.411 nan 8.360 nan 0.000 0.448 529 N N 0.891 119.691 118.700 0.166 0.000 2.021 529 N HA -0.218 4.523 4.740 0.001 0.000 0.198 529 N C 2.048 177.637 175.510 0.131 0.000 1.041 529 N CA 1.107 54.215 53.050 0.096 0.000 0.862 529 N CB -0.300 38.099 38.487 -0.147 0.000 1.048 529 N HN 0.049 nan 8.380 nan 0.000 0.427 530 L N 0.742 122.031 121.223 0.109 0.000 2.103 530 L HA -0.260 4.081 4.340 0.001 0.000 0.215 530 L C 2.250 179.282 176.870 0.270 0.000 1.080 530 L CA 1.148 56.112 54.840 0.206 0.000 0.764 530 L CB -0.589 41.583 42.059 0.188 0.000 0.890 530 L HN 0.156 nan 8.230 nan 0.000 0.435 531 V N -0.436 119.597 119.914 0.197 0.000 2.244 531 V HA -0.317 3.803 4.120 0.001 0.000 0.244 531 V C 2.188 178.349 176.094 0.111 0.000 1.042 531 V CA 1.986 64.347 62.300 0.102 0.000 1.006 531 V CB -0.649 31.273 31.823 0.164 0.000 0.641 531 V HN 0.420 nan 8.190 nan 0.000 0.446 532 F N 0.725 120.749 119.950 0.123 0.000 2.111 532 F HA -0.304 4.223 4.527 0.001 0.000 0.300 532 F C 1.902 177.795 175.800 0.155 0.000 1.088 532 F CA 2.037 60.135 58.000 0.164 0.000 1.243 532 F CB -0.485 38.684 39.000 0.282 0.000 0.996 532 F HN 0.071 nan 8.300 nan 0.000 0.483 533 L N 0.461 121.750 121.223 0.109 0.000 1.948 533 L HA -0.192 4.148 4.340 0.001 0.000 0.212 533 L C 2.966 179.766 176.870 -0.118 0.000 1.074 533 L CA 1.542 56.474 54.840 0.154 0.000 0.753 533 L CB -1.586 40.798 42.059 0.542 0.000 0.888 533 L HN 0.238 nan 8.230 nan 0.000 0.432 534 A N -0.535 122.092 122.820 -0.322 0.000 1.929 534 A HA -0.375 3.945 4.320 0.001 0.000 0.221 534 A C 2.224 179.456 177.584 -0.587 0.000 1.211 534 A CA 2.503 53.885 52.037 -1.092 0.000 0.657 534 A CB -0.849 17.039 19.000 -1.853 0.000 0.827 534 A HN 0.573 nan 8.150 nan 0.000 0.462 535 Q N -0.948 118.649 119.800 -0.338 0.000 2.002 535 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 535 Q C 2.301 178.198 176.000 -0.172 0.000 0.988 535 Q CA 2.054 57.775 55.803 -0.138 0.000 0.843 535 Q CB -0.233 28.458 28.738 -0.079 0.000 0.908 535 Q HN 0.778 nan 8.270 nan 0.000 0.420 536 K N 0.475 120.691 120.400 -0.308 0.000 2.001 536 K HA -0.210 4.111 4.320 0.001 0.000 0.214 536 K C 2.093 178.632 176.600 -0.101 0.000 1.050 536 K CA 1.344 57.472 56.287 -0.265 0.000 0.934 536 K CB -0.330 31.868 32.500 -0.503 0.000 0.718 536 K HN 0.198 nan 8.250 nan 0.000 0.443 537 L N 0.613 121.750 121.223 -0.143 0.000 2.017 537 L HA -0.130 4.210 4.340 0.001 0.000 0.208 537 L C 1.881 178.489 176.870 -0.437 0.000 1.073 537 L CA 1.867 56.480 54.840 -0.379 0.000 0.745 537 L CB -0.835 40.591 42.059 -1.056 0.000 0.894 537 L HN 0.261 nan 8.230 nan 0.000 0.432 538 F N 0.066 119.845 119.950 -0.285 0.000 2.664 538 F HA 0.058 4.585 4.527 0.001 0.000 0.296 538 F C 1.095 176.840 175.800 -0.092 0.000 1.125 538 F CA 0.387 58.283 58.000 -0.174 0.000 1.444 538 F CB -0.184 38.732 39.000 -0.141 0.000 1.114 538 F HN 0.264 nan 8.300 nan 0.000 0.576 539 N N 1.236 119.964 118.700 0.046 0.000 2.696 539 N HA -0.220 4.520 4.740 0.001 0.000 0.256 539 N C -1.078 174.462 175.510 0.050 0.000 1.031 539 N CA 0.240 53.306 53.050 0.025 0.000 0.730 539 N CB -1.014 37.476 38.487 0.004 0.000 0.894 539 N HN 0.178 nan 8.380 nan 0.000 0.544 540 I N -0.819 119.795 120.570 0.072 0.000 3.095 540 I HA 0.404 4.574 4.170 0.001 0.000 0.310 540 I C 1.082 177.231 176.117 0.054 0.000 1.196 540 I CA -0.590 60.739 61.300 0.047 0.000 0.985 540 I CB 1.745 39.756 38.000 0.020 0.000 1.250 540 I HN 0.099 nan 8.210 nan 0.000 0.446 541 S N 0.639 116.355 115.700 0.025 0.000 2.425 541 S HA 0.036 4.507 4.470 0.001 0.000 0.225 541 S C 0.670 175.306 174.600 0.060 0.000 1.024 541 S CA 0.204 58.426 58.200 0.037 0.000 0.951 541 S CB -0.329 62.881 63.200 0.016 0.000 0.796 541 S HN 0.674 nan 8.310 nan 0.000 0.498 542 S N 3.137 118.847 115.700 0.016 0.000 3.332 542 S HA -0.127 4.343 4.470 0.001 0.000 0.395 542 S C 1.049 175.734 174.600 0.141 0.000 1.180 542 S CA 0.372 58.569 58.200 -0.005 0.000 0.985 542 S CB -0.310 62.724 63.200 -0.277 0.000 0.694 542 S HN 0.794 nan 8.310 nan 0.000 0.502 543 N N 1.561 120.370 118.700 0.183 0.000 2.205 543 N HA 0.007 4.748 4.740 0.001 0.000 0.201 543 N C 0.078 175.768 175.510 0.301 0.000 1.128 543 N CA -0.404 52.773 53.050 0.211 0.000 0.867 543 N CB 0.351 38.920 38.487 0.137 0.000 0.996 543 N HN 0.766 nan 8.380 nan 0.000 0.503 544 H N -1.110 118.027 119.070 0.112 0.000 2.806 544 H HA 0.189 4.746 4.556 0.001 0.000 0.367 544 H C 0.336 175.762 175.328 0.163 0.000 1.136 544 H CA -1.110 55.011 56.048 0.123 0.000 1.178 544 H CB 1.202 31.011 29.762 0.079 0.000 1.718 544 H HN -0.041 nan 8.280 nan 0.000 0.540 545 L N 1.374 122.658 121.223 0.103 0.000 1.989 545 L HA -0.216 4.124 4.340 0.001 0.000 0.211 545 L C 2.572 179.482 176.870 0.067 0.000 1.071 545 L CA 2.120 57.056 54.840 0.159 0.000 0.749 545 L CB -0.276 41.887 42.059 0.174 0.000 0.890 545 L HN 0.832 nan 8.230 nan 0.000 0.431 546 E N -0.680 119.465 120.200 -0.091 0.000 2.393 546 E HA -0.295 4.055 4.350 0.001 0.000 0.201 546 E C 1.225 177.728 176.600 -0.162 0.000 1.025 546 E CA 1.499 57.846 56.400 -0.088 0.000 0.856 546 E CB -0.679 28.976 29.700 -0.076 0.000 0.771 546 E HN 0.587 nan 8.360 nan 0.000 0.526 547 D N 0.797 121.005 120.400 -0.319 0.000 2.123 547 D HA -0.179 4.461 4.640 0.001 0.000 0.196 547 D C 1.578 177.634 176.300 -0.407 0.000 0.992 547 D CA 1.304 55.057 54.000 -0.411 0.000 0.833 547 D CB -0.515 39.914 40.800 -0.617 0.000 0.954 547 D HN 0.443 nan 8.370 nan 0.000 0.455 548 Y N 0.984 121.153 120.300 -0.218 0.000 2.544 548 Y HA -0.004 4.546 4.550 0.001 0.000 0.286 548 Y C 1.866 177.726 175.900 -0.065 0.000 1.141 548 Y CA 0.053 58.000 58.100 -0.255 0.000 1.299 548 Y CB -0.358 37.870 38.460 -0.388 0.000 1.030 548 Y HN -0.115 nan 8.280 nan 0.000 0.543 549 N N -0.170 118.595 118.700 0.110 0.000 2.144 549 N HA -0.209 4.531 4.740 0.001 0.000 0.195 549 N C 1.488 177.032 175.510 0.056 0.000 1.006 549 N CA 1.983 55.089 53.050 0.094 0.000 0.880 549 N CB -0.465 38.043 38.487 0.036 0.000 1.018 549 N HN 0.176 nan 8.380 nan 0.000 0.443 550 S N -0.521 115.178 115.700 -0.002 0.000 2.540 550 S HA 0.258 4.729 4.470 0.001 0.000 0.218 550 S C 0.756 175.346 174.600 -0.016 0.000 0.977 550 S CA -0.270 57.920 58.200 -0.016 0.000 0.918 550 S CB 0.406 63.578 63.200 -0.046 0.000 0.806 550 S HN 0.191 nan 8.310 nan 0.000 0.496 551 M N 1.942 121.526 119.600 -0.028 0.000 2.113 551 M HA 0.211 4.692 4.480 0.001 0.000 0.288 551 M C 0.326 176.719 176.300 0.155 0.000 1.225 551 M CA 0.306 55.587 55.300 -0.032 0.000 1.148 551 M CB 0.095 32.494 32.600 -0.335 0.000 1.388 551 M HN 0.210 nan 8.290 nan 0.000 0.469 552 S N -0.245 115.612 115.700 0.261 0.000 2.572 552 S HA 0.653 5.124 4.470 0.001 0.000 0.274 552 S C -1.072 173.730 174.600 0.337 0.000 1.150 552 S CA -1.015 57.337 58.200 0.253 0.000 0.944 552 S CB 1.382 64.664 63.200 0.137 0.000 1.071 552 S HN 0.429 nan 8.310 nan 0.000 0.479 553 V N 2.163 122.243 119.914 0.276 0.000 2.384 553 V HA 0.664 4.785 4.120 0.001 0.000 0.287 553 V C 0.750 176.997 176.094 0.254 0.000 1.020 553 V CA -0.674 61.754 62.300 0.213 0.000 0.850 553 V CB 1.088 33.029 31.823 0.197 0.000 0.987 553 V HN 1.020 nan 8.190 nan 0.000 0.436 554 S N 4.756 120.580 115.700 0.207 0.000 2.593 554 S HA 0.093 4.563 4.470 0.001 0.000 0.269 554 S C 1.012 175.756 174.600 0.239 0.000 1.334 554 S CA -0.319 58.022 58.200 0.235 0.000 1.015 554 S CB 0.653 63.940 63.200 0.144 0.000 0.912 554 S HN 0.936 nan 8.310 nan 0.000 0.541 555 W N 3.180 124.407 121.300 -0.122 0.000 2.318 555 W HA -0.212 4.448 4.660 0.001 0.000 0.313 555 W C 2.011 178.467 176.519 -0.104 0.000 1.221 555 W CA 2.105 59.169 57.345 -0.469 0.000 1.266 555 W CB -1.019 27.976 29.460 -0.776 0.000 1.150 555 W HN 0.914 nan 8.180 nan 0.000 0.496 556 S N 0.626 116.282 115.700 -0.074 0.000 2.447 556 S HA -0.224 4.246 4.470 0.001 0.000 0.233 556 S C 1.475 176.005 174.600 -0.117 0.000 1.006 556 S CA 1.434 59.554 58.200 -0.134 0.000 0.957 556 S CB -0.580 62.636 63.200 0.026 0.000 0.773 556 S HN 0.572 nan 8.310 nan 0.000 0.507 557 Q N -0.836 118.936 119.800 -0.046 0.000 2.360 557 Q HA 0.308 4.649 4.340 0.001 0.000 0.202 557 Q C 1.248 177.241 176.000 -0.012 0.000 0.915 557 Q CA 0.275 56.053 55.803 -0.042 0.000 0.943 557 Q CB -0.096 28.614 28.738 -0.048 0.000 1.064 557 Q HN 0.682 nan 8.270 nan 0.000 0.511 558 F N 0.362 120.194 119.950 -0.197 0.000 2.383 558 F HA 0.217 4.744 4.527 0.001 0.000 0.287 558 F C 0.994 176.710 175.800 -0.141 0.000 1.069 558 F CA 0.795 58.727 58.000 -0.113 0.000 1.402 558 F CB 0.586 39.551 39.000 -0.058 0.000 1.116 558 F HN -0.107 nan 8.300 nan 0.000 0.549 559 N N -1.194 117.174 118.700 -0.553 0.000 2.162 559 N HA 0.122 4.863 4.740 0.001 0.000 0.232 559 N C 1.065 176.318 175.510 -0.429 0.000 1.361 559 N CA -0.049 52.659 53.050 -0.570 0.000 0.786 559 N CB 0.253 38.242 38.487 -0.830 0.000 1.290 559 N HN 0.104 nan 8.380 nan 0.000 0.505 560 R N 0.396 120.687 120.500 -0.348 0.000 2.013 560 R HA 0.276 4.616 4.340 0.001 0.000 0.198 560 R C -0.498 175.762 176.300 -0.066 0.000 1.407 560 R CA 0.268 56.282 56.100 -0.144 0.000 1.140 560 R CB 0.032 30.281 30.300 -0.085 0.000 1.011 560 R HN -0.021 nan 8.270 nan 0.000 0.472 561 E N 2.149 122.314 120.200 -0.059 0.000 2.417 561 E HA 0.019 4.370 4.350 0.001 0.000 0.261 561 E C -0.912 175.676 176.600 -0.020 0.000 1.000 561 E CA 0.283 56.666 56.400 -0.029 0.000 0.919 561 E CB 0.400 30.084 29.700 -0.026 0.000 0.955 561 E HN 0.251 nan 8.360 nan 0.000 0.455 562 N N 2.967 121.660 118.700 -0.012 0.000 2.518 562 N HA 0.057 4.798 4.740 0.001 0.000 0.266 562 N C -0.179 175.305 175.510 -0.043 0.000 1.196 562 N CA -0.277 52.762 53.050 -0.019 0.000 0.947 562 N CB 0.685 39.162 38.487 -0.018 0.000 1.098 562 N HN 0.298 nan 8.380 nan 0.000 0.450 563 L N 3.491 124.674 121.223 -0.067 0.000 2.490 563 L HA 0.017 4.358 4.340 0.001 0.000 0.274 563 L C -1.054 175.779 176.870 -0.061 0.000 1.201 563 L CA -1.110 53.709 54.840 -0.035 0.000 0.869 563 L CB 0.204 42.265 42.059 0.004 0.000 1.123 563 L HN 0.336 nan 8.230 nan 0.000 0.484 564 P HA -0.275 nan 4.420 nan 0.000 0.225 564 P C 1.319 178.466 177.300 -0.254 0.000 1.154 564 P CA 1.996 65.023 63.100 -0.121 0.000 0.933 564 P CB 0.101 31.748 31.700 -0.089 0.000 0.790 565 G N -3.578 104.970 108.800 -0.420 0.000 2.484 565 G HA2 -0.071 3.890 3.960 0.001 0.000 0.218 565 G HA3 -0.071 3.890 3.960 0.001 0.000 0.218 565 G C 0.011 174.219 174.900 -1.153 0.000 1.130 565 G CA 0.245 44.733 45.100 -1.020 0.000 0.784 565 G HN 0.273 nan 8.290 nan 0.000 0.543 566 W N -1.676 119.475 121.300 -0.249 0.000 2.967 566 W HA 0.498 5.159 4.660 0.001 0.000 0.342 566 W C 0.319 176.672 176.519 -0.277 0.000 1.162 566 W CA -1.083 56.060 57.345 -0.335 0.000 1.085 566 W CB 1.016 29.929 29.460 -0.911 0.000 1.460 566 W HN -0.324 nan 8.180 nan 0.000 0.584 567 N N 1.235 120.035 118.700 0.166 0.000 2.453 567 N HA 0.104 4.845 4.740 0.001 0.000 0.270 567 N C -1.402 174.231 175.510 0.206 0.000 1.195 567 N CA -0.024 53.105 53.050 0.132 0.000 0.902 567 N CB 0.236 38.810 38.487 0.145 0.000 1.186 567 N HN 0.396 nan 8.380 nan 0.000 0.510 568 Y N -2.035 118.380 120.300 0.191 0.000 2.605 568 Y HA 0.539 5.090 4.550 0.001 0.000 0.343 568 Y C 0.541 176.508 175.900 0.112 0.000 1.036 568 Y CA -1.257 56.914 58.100 0.119 0.000 1.065 568 Y CB 0.252 38.762 38.460 0.083 0.000 1.288 568 Y HN -0.159 nan 8.280 nan 0.000 0.481 569 T N -1.733 112.981 114.554 0.266 0.000 2.810 569 T HA 0.195 4.545 4.350 0.001 0.000 0.277 569 T C 0.502 175.351 174.700 0.249 0.000 0.973 569 T CA -0.214 61.981 62.100 0.158 0.000 0.949 569 T CB 0.683 69.590 68.868 0.066 0.000 1.075 569 T HN 0.790 nan 8.240 nan 0.000 0.537 570 F N -0.115 119.863 119.950 0.045 0.000 2.075 570 F HA 0.008 4.535 4.527 0.001 0.000 0.297 570 F C 2.240 178.114 175.800 0.123 0.000 1.113 570 F CA 1.534 59.586 58.000 0.087 0.000 1.218 570 F CB -0.283 38.723 39.000 0.011 0.000 0.984 570 F HN 0.742 nan 8.300 nan 0.000 0.472 571 W N 1.503 122.677 121.300 -0.210 0.000 2.338 571 W HA -0.265 4.396 4.660 0.001 0.000 0.304 571 W C 2.149 178.594 176.519 -0.123 0.000 1.212 571 W CA 1.886 59.040 57.345 -0.319 0.000 1.264 571 W CB -0.742 28.326 29.460 -0.652 0.000 1.142 571 W HN 0.199 nan 8.180 nan 0.000 0.512 572 Q N -0.418 119.324 119.800 -0.095 0.000 2.082 572 Q HA -0.299 4.041 4.340 0.001 0.000 0.211 572 Q C 1.910 177.691 176.000 -0.367 0.000 1.002 572 Q CA 3.317 59.008 55.803 -0.186 0.000 0.868 572 Q CB -1.138 27.631 28.738 0.052 0.000 0.931 572 Q HN 0.419 nan 8.270 nan 0.000 0.414 573 W N -0.270 120.784 121.300 -0.411 0.000 2.329 573 W HA -0.266 4.394 4.660 0.001 0.000 0.324 573 W C 1.979 178.187 176.519 -0.519 0.000 1.222 573 W CA 1.917 58.956 57.345 -0.511 0.000 1.270 573 W CB -0.773 28.488 29.460 -0.332 0.000 1.167 573 W HN 0.210 nan 8.180 nan 0.000 0.467 574 F N 1.221 120.930 119.950 -0.401 0.000 2.202 574 F HA -0.275 4.253 4.527 0.001 0.000 0.301 574 F C 2.262 177.639 175.800 -0.704 0.000 1.082 574 F CA 2.320 60.067 58.000 -0.423 0.000 1.313 574 F CB -0.581 38.210 39.000 -0.349 0.000 1.024 574 F HN -0.091 nan 8.300 nan 0.000 0.495 575 D N -0.015 119.810 120.400 -0.958 0.000 2.078 575 D HA -0.145 4.496 4.640 0.001 0.000 0.193 575 D C 2.472 178.295 176.300 -0.796 0.000 0.990 575 D CA 1.719 55.090 54.000 -1.047 0.000 0.827 575 D CB -1.047 39.031 40.800 -1.203 0.000 0.975 575 D HN 0.290 nan 8.370 nan 0.000 0.451 576 G N 0.266 108.587 108.800 -0.799 0.000 2.485 576 G HA2 -0.210 3.750 3.960 0.001 0.000 0.221 576 G HA3 -0.210 3.750 3.960 0.001 0.000 0.221 576 G C 1.891 176.352 174.900 -0.732 0.000 1.115 576 G CA 1.207 45.880 45.100 -0.712 0.000 0.751 576 G HN 0.322 nan 8.290 nan 0.000 0.567 577 V N 1.077 120.413 119.914 -0.963 0.000 2.229 577 V HA -0.224 3.897 4.120 0.001 0.000 0.243 577 V C 2.877 178.544 176.094 -0.711 0.000 1.042 577 V CA 2.236 63.883 62.300 -1.087 0.000 1.000 577 V CB -0.564 30.417 31.823 -1.403 0.000 0.637 577 V HN 0.371 nan 8.190 nan 0.000 0.446 578 M N -0.623 118.586 119.600 -0.652 0.000 2.106 578 M HA -0.255 4.226 4.480 0.001 0.000 0.259 578 M C 2.215 178.305 176.300 -0.350 0.000 1.068 578 M CA 1.989 56.995 55.300 -0.491 0.000 1.100 578 M CB -0.514 31.823 32.600 -0.439 0.000 1.351 578 M HN 0.314 nan 8.290 nan 0.000 0.404 579 E N 0.230 120.229 120.200 -0.334 0.000 2.001 579 E HA -0.159 4.191 4.350 0.001 0.000 0.195 579 E C 1.941 178.474 176.600 -0.113 0.000 1.002 579 E CA 1.934 58.217 56.400 -0.195 0.000 0.819 579 E CB -0.435 29.158 29.700 -0.178 0.000 0.769 579 E HN 0.452 nan 8.360 nan 0.000 0.454 580 V N -0.417 119.445 119.914 -0.085 0.000 2.392 580 V HA -0.242 3.879 4.120 0.001 0.000 0.249 580 V C 2.341 178.575 176.094 0.233 0.000 1.059 580 V CA 1.602 63.992 62.300 0.151 0.000 1.051 580 V CB -0.862 31.098 31.823 0.227 0.000 0.658 580 V HN 0.189 nan 8.190 nan 0.000 0.455 581 L N 0.918 122.173 121.223 0.053 0.000 1.976 581 L HA -0.196 4.144 4.340 0.001 0.000 0.209 581 L C 2.816 179.681 176.870 -0.009 0.000 1.071 581 L CA 2.617 57.512 54.840 0.091 0.000 0.746 581 L CB -0.518 41.473 42.059 -0.113 0.000 0.890 581 L HN 0.509 nan 8.230 nan 0.000 0.432 582 K N -0.058 120.256 120.400 -0.143 0.000 2.442 582 K HA -0.176 4.144 4.320 0.001 0.000 0.198 582 K C 1.768 178.270 176.600 -0.163 0.000 1.042 582 K CA 1.233 57.421 56.287 -0.164 0.000 0.958 582 K CB -0.114 32.268 32.500 -0.197 0.000 0.766 582 K HN 0.090 nan 8.250 nan 0.000 0.474 583 K N -0.608 119.698 120.400 -0.156 0.000 2.098 583 K HA 0.013 4.333 4.320 0.001 0.000 0.203 583 K C 0.834 177.094 176.600 -0.566 0.000 1.051 583 K CA 1.210 57.310 56.287 -0.312 0.000 0.957 583 K CB 0.117 32.480 32.500 -0.227 0.000 0.738 583 K HN 0.444 nan 8.250 nan 0.000 0.447 584 H N -2.958 115.913 119.070 -0.331 0.000 3.436 584 H HA 0.228 4.784 4.556 0.001 0.000 0.244 584 H C 0.239 175.163 175.328 -0.673 0.000 1.009 584 H CA 0.003 55.684 56.048 -0.611 0.000 1.129 584 H CB 0.755 29.905 29.762 -1.019 0.000 1.473 584 H HN 0.143 nan 8.280 nan 0.000 0.510 585 H N 0.686 119.786 119.070 0.049 0.000 2.512 585 H HA 0.255 4.812 4.556 0.001 0.000 0.276 585 H C 0.829 176.159 175.328 0.003 0.000 1.126 585 H CA -0.077 56.048 56.048 0.129 0.000 1.060 585 H CB 0.730 30.635 29.762 0.239 0.000 1.646 585 H HN 0.268 nan 8.280 nan 0.000 0.571 586 K N 0.979 121.348 120.400 -0.052 0.000 2.020 586 K HA -0.117 4.203 4.320 0.001 0.000 0.212 586 K C -0.731 175.841 176.600 -0.047 0.000 1.050 586 K CA 1.524 57.783 56.287 -0.047 0.000 0.929 586 K CB -0.912 31.525 32.500 -0.104 0.000 0.714 586 K HN 0.241 nan 8.250 nan 0.000 0.443 587 P HA -0.145 nan 4.420 nan 0.000 0.214 587 P C 0.754 177.940 177.300 -0.189 0.000 1.163 587 P CA 1.446 64.400 63.100 -0.245 0.000 0.883 587 P CB -0.138 31.273 31.700 -0.482 0.000 0.788 588 H N -3.536 115.451 119.070 -0.138 0.000 2.492 588 H HA -0.163 4.393 4.556 0.001 0.000 0.296 588 H C 1.774 177.108 175.328 0.010 0.000 1.095 588 H CA 0.860 56.847 56.048 -0.102 0.000 1.281 588 H CB -0.649 29.091 29.762 -0.036 0.000 1.374 588 H HN 0.242 nan 8.280 nan 0.000 0.545 589 W N 2.207 123.557 121.300 0.082 0.000 2.418 589 W HA -0.132 4.528 4.660 0.001 0.000 0.319 589 W C 2.380 178.954 176.519 0.092 0.000 1.183 589 W CA 1.582 58.995 57.345 0.112 0.000 1.327 589 W CB -0.141 29.397 29.460 0.131 0.000 1.163 589 W HN 0.244 nan 8.180 nan 0.000 0.479 590 N N -0.164 118.719 118.700 0.304 0.000 2.309 590 N HA -0.186 4.554 4.740 0.001 0.000 0.182 590 N C 1.120 176.663 175.510 0.055 0.000 1.018 590 N CA 1.548 54.709 53.050 0.185 0.000 0.876 590 N CB -0.981 37.611 38.487 0.174 0.000 0.972 590 N HN 0.118 nan 8.380 nan 0.000 0.434 591 D N 0.725 121.146 120.400 0.036 0.000 2.149 591 D HA -0.132 4.509 4.640 0.001 0.000 0.194 591 D C 1.474 177.731 176.300 -0.071 0.000 1.001 591 D CA 2.629 56.625 54.000 -0.006 0.000 0.849 591 D CB -0.488 40.315 40.800 0.006 0.000 0.939 591 D HN 0.612 nan 8.370 nan 0.000 0.449 592 G N -1.572 107.149 108.800 -0.132 0.000 2.201 592 G HA2 -0.239 3.721 3.960 0.001 0.000 0.212 592 G HA3 -0.239 3.721 3.960 0.001 0.000 0.212 592 G C 1.238 176.006 174.900 -0.220 0.000 0.994 592 G CA 0.632 45.605 45.100 -0.212 0.000 0.644 592 G HN 0.601 nan 8.290 nan 0.000 0.508 593 A N -0.285 122.431 122.820 -0.174 0.000 2.019 593 A HA 0.408 4.728 4.320 0.001 0.000 0.219 593 A C 1.406 178.964 177.584 -0.043 0.000 1.164 593 A CA 1.770 53.734 52.037 -0.121 0.000 0.644 593 A CB -0.131 18.725 19.000 -0.240 0.000 0.805 593 A HN 1.653 nan 8.150 nan 0.000 0.449 594 I N -1.405 119.069 120.570 -0.160 0.000 2.405 594 I HA 0.426 4.596 4.170 0.001 0.000 0.280 594 I C 0.556 176.472 176.117 -0.335 0.000 1.027 594 I CA -0.687 60.502 61.300 -0.185 0.000 1.161 594 I CB 1.142 39.085 38.000 -0.095 0.000 1.300 594 I HN 0.041 nan 8.210 nan 0.000 0.463 595 L N 7.618 128.681 121.223 -0.268 0.000 2.017 595 L HA 0.208 4.549 4.340 0.001 0.000 0.208 595 L C 1.843 178.526 176.870 -0.312 0.000 1.073 595 L CA 2.482 57.174 54.840 -0.246 0.000 0.745 595 L CB -0.831 41.111 42.059 -0.194 0.000 0.894 595 L HN 0.974 nan 8.230 nan 0.000 0.432 596 G N -1.495 106.949 108.800 -0.594 0.000 4.039 596 G HA2 -0.371 3.590 3.960 0.001 0.000 0.220 596 G HA3 -0.371 3.590 3.960 0.001 0.000 0.220 596 G C 0.522 174.833 174.900 -0.982 0.000 1.391 596 G CA 0.381 44.712 45.100 -1.281 0.000 0.920 596 G HN 0.273 nan 8.290 nan 0.000 0.599 597 F N 1.854 121.615 119.950 -0.315 0.000 2.509 597 F HA 0.672 5.199 4.527 0.001 0.000 0.344 597 F C 0.331 175.542 175.800 -0.980 0.000 1.197 597 F CA -0.386 57.155 58.000 -0.765 0.000 1.294 597 F CB 1.159 40.053 39.000 -0.177 0.000 1.643 597 F HN 0.159 nan 8.300 nan 0.000 0.596 598 V N 1.706 121.137 119.914 -0.805 0.000 2.932 598 V HA 0.289 4.409 4.120 0.001 0.000 0.307 598 V C -0.626 175.495 176.094 0.045 0.000 1.147 598 V CA -1.248 60.924 62.300 -0.213 0.000 0.951 598 V CB 2.538 34.261 31.823 -0.166 0.000 1.031 598 V HN 0.570 nan 8.190 nan 0.000 0.426 599 N N 2.401 121.257 118.700 0.260 0.000 2.472 599 N HA 0.331 5.072 4.740 0.001 0.000 0.289 599 N C 0.605 176.206 175.510 0.152 0.000 1.156 599 N CA -0.749 52.465 53.050 0.274 0.000 0.940 599 N CB 2.039 40.697 38.487 0.285 0.000 1.200 599 N HN 0.479 nan 8.380 nan 0.000 0.511 600 K N 0.857 121.342 120.400 0.143 0.000 2.097 600 K HA -0.340 3.981 4.320 0.001 0.000 0.214 600 K C 2.046 178.702 176.600 0.094 0.000 1.052 600 K CA 2.074 58.423 56.287 0.102 0.000 0.932 600 K CB -0.397 32.159 32.500 0.094 0.000 0.716 600 K HN 0.676 nan 8.250 nan 0.000 0.455 601 Q N 0.577 120.427 119.800 0.083 0.000 2.030 601 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 601 Q C 2.109 178.174 176.000 0.109 0.000 0.986 601 Q CA 2.183 58.027 55.803 0.068 0.000 0.843 601 Q CB -0.336 28.423 28.738 0.035 0.000 0.904 601 Q HN 0.569 nan 8.270 nan 0.000 0.420 602 Q N -0.598 119.258 119.800 0.093 0.000 2.124 602 Q HA -0.113 4.227 4.340 0.001 0.000 0.202 602 Q C 2.029 178.042 176.000 0.021 0.000 0.977 602 Q CA 1.563 57.405 55.803 0.065 0.000 0.850 602 Q CB -0.367 28.409 28.738 0.063 0.000 0.901 602 Q HN 0.529 nan 8.270 nan 0.000 0.429 603 A N 0.784 123.618 122.820 0.022 0.000 1.883 603 A HA -0.286 4.035 4.320 0.001 0.000 0.217 603 A C 1.984 179.583 177.584 0.024 0.000 1.186 603 A CA 1.853 53.882 52.037 -0.013 0.000 0.624 603 A CB -0.968 18.044 19.000 0.020 0.000 0.822 603 A HN 0.522 nan 8.150 nan 0.000 0.444 604 H N 0.345 119.405 119.070 -0.017 0.000 2.319 604 H HA -0.144 4.413 4.556 0.001 0.000 0.299 604 H C 1.346 176.673 175.328 -0.001 0.000 1.092 604 H CA 2.012 58.051 56.048 -0.015 0.000 1.302 604 H CB -0.178 29.571 29.762 -0.021 0.000 1.373 604 H HN 0.462 nan 8.280 nan 0.000 0.497 605 D N 0.975 121.471 120.400 0.160 0.000 2.103 605 D HA -0.101 4.539 4.640 0.001 0.000 0.199 605 D C 2.533 178.855 176.300 0.037 0.000 0.978 605 D CA 0.695 54.760 54.000 0.108 0.000 0.829 605 D CB -0.255 40.620 40.800 0.124 0.000 0.981 605 D HN 0.406 nan 8.370 nan 0.000 0.464 606 L N 0.137 121.368 121.223 0.013 0.000 2.362 606 L HA -0.043 4.298 4.340 0.001 0.000 0.219 606 L C 2.246 179.215 176.870 0.164 0.000 1.134 606 L CA 0.548 55.409 54.840 0.035 0.000 0.807 606 L CB -0.190 41.716 42.059 -0.255 0.000 0.927 606 L HN 0.014 nan 8.230 nan 0.000 0.447 607 L N -0.628 120.634 121.223 0.064 0.000 2.500 607 L HA 0.050 4.391 4.340 0.001 0.000 0.219 607 L C 2.472 179.359 176.870 0.028 0.000 1.057 607 L CA 0.113 55.016 54.840 0.105 0.000 0.854 607 L CB 0.036 42.139 42.059 0.073 0.000 1.078 607 L HN 0.140 nan 8.230 nan 0.000 0.480 608 I N -0.133 120.385 120.570 -0.086 0.000 2.113 608 I HA -0.345 3.825 4.170 0.001 0.000 0.242 608 I C 1.711 177.803 176.117 -0.042 0.000 1.064 608 I CA 2.398 63.618 61.300 -0.134 0.000 1.320 608 I CB -0.905 36.951 38.000 -0.239 0.000 1.028 608 I HN 0.472 nan 8.210 nan 0.000 0.406 609 N N 1.143 119.839 118.700 -0.006 0.000 2.449 609 N HA 0.023 4.763 4.740 0.001 0.000 0.191 609 N C 0.190 175.715 175.510 0.024 0.000 1.161 609 N CA -0.041 53.015 53.050 0.011 0.000 0.863 609 N CB 0.123 38.620 38.487 0.017 0.000 0.980 609 N HN 0.356 nan 8.380 nan 0.000 0.458 610 K N 1.641 122.067 120.400 0.043 0.000 2.098 610 K HA 0.400 4.720 4.320 0.001 0.000 0.244 610 K C -2.222 174.406 176.600 0.047 0.000 1.014 610 K CA -1.989 54.335 56.287 0.062 0.000 0.917 610 K CB 0.191 32.762 32.500 0.118 0.000 1.072 610 K HN -0.030 nan 8.250 nan 0.000 0.477 611 P HA 0.008 nan 4.420 nan 0.000 0.271 611 P C -0.619 176.650 177.300 -0.051 0.000 1.233 611 P CA -0.104 63.031 63.100 0.057 0.000 0.789 611 P CB 0.315 32.150 31.700 0.226 0.000 0.951 612 D N 0.689 120.946 120.400 -0.238 0.000 2.349 612 D HA 0.306 4.946 4.640 0.001 0.000 0.266 612 D C 1.420 177.453 176.300 -0.445 0.000 1.293 612 D CA 1.465 55.087 54.000 -0.629 0.000 0.926 612 D CB -0.345 39.703 40.800 -1.252 0.000 1.090 612 D HN 0.630 nan 8.370 nan 0.000 0.502 613 G N 2.210 110.965 108.800 -0.076 0.000 2.336 613 G HA2 -0.229 3.731 3.960 0.001 0.000 0.194 613 G HA3 -0.229 3.731 3.960 0.001 0.000 0.194 613 G C 0.617 175.703 174.900 0.310 0.000 0.999 613 G CA -0.163 45.083 45.100 0.243 0.000 0.669 613 G HN 0.517 nan 8.290 nan 0.000 0.482 614 T N 2.162 116.827 114.554 0.185 0.000 2.891 614 T HA 0.425 4.775 4.350 0.001 0.000 0.296 614 T C 0.041 175.006 174.700 0.442 0.000 1.025 614 T CA 1.354 63.611 62.100 0.260 0.000 1.149 614 T CB -0.024 68.984 68.868 0.234 0.000 1.007 614 T HN 1.142 nan 8.240 nan 0.000 0.528 615 F N 1.830 121.968 119.950 0.312 0.000 2.754 615 F HA 0.833 5.360 4.527 0.001 0.000 0.320 615 F C -1.586 174.372 175.800 0.263 0.000 1.156 615 F CA -1.803 56.388 58.000 0.318 0.000 0.950 615 F CB 1.030 40.232 39.000 0.337 0.000 1.388 615 F HN 0.445 nan 8.300 nan 0.000 0.485 616 L N -0.204 121.286 121.223 0.444 0.000 2.502 616 L HA 0.784 5.124 4.340 0.001 0.000 0.253 616 L C -1.938 175.092 176.870 0.266 0.000 1.070 616 L CA -1.335 53.644 54.840 0.230 0.000 0.871 616 L CB 1.809 43.852 42.059 -0.026 0.000 1.487 616 L HN 0.764 nan 8.230 nan 0.000 0.408 617 L N 1.185 122.462 121.223 0.090 0.000 2.333 617 L HA 0.748 5.088 4.340 0.001 0.000 0.280 617 L C -0.316 176.411 176.870 -0.238 0.000 1.004 617 L CA -0.505 54.325 54.840 -0.017 0.000 0.820 617 L CB 1.770 43.818 42.059 -0.017 0.000 1.247 617 L HN 0.692 nan 8.230 nan 0.000 0.416 618 R N 2.479 122.840 120.500 -0.233 0.000 2.575 618 R HA 0.472 4.812 4.340 0.001 0.000 0.293 618 R C -1.251 174.901 176.300 -0.248 0.000 0.983 618 R CA -0.643 55.278 56.100 -0.299 0.000 0.887 618 R CB 1.551 31.790 30.300 -0.101 0.000 1.184 618 R HN 0.395 nan 8.270 nan 0.000 0.445 619 F N 2.443 122.345 119.950 -0.081 0.000 2.494 619 F HA 0.070 4.598 4.527 0.001 0.000 0.369 619 F C 0.732 176.663 175.800 0.219 0.000 1.098 619 F CA -0.078 57.907 58.000 -0.026 0.000 1.154 619 F CB 0.979 39.892 39.000 -0.145 0.000 1.103 619 F HN 0.371 nan 8.300 nan 0.000 0.549 620 S N 3.134 118.984 115.700 0.250 0.000 2.519 620 S HA -0.047 4.423 4.470 0.001 0.000 0.320 620 S C 0.731 175.475 174.600 0.240 0.000 1.179 620 S CA -0.498 57.809 58.200 0.179 0.000 1.173 620 S CB -0.074 63.145 63.200 0.031 0.000 1.224 620 S HN 0.624 nan 8.310 nan 0.000 0.542 621 D N 2.718 123.325 120.400 0.345 0.000 2.178 621 D HA -0.153 4.487 4.640 0.001 0.000 0.201 621 D C 1.677 177.673 176.300 -0.507 0.000 0.980 621 D CA 1.042 55.065 54.000 0.038 0.000 0.842 621 D CB -0.351 40.385 40.800 -0.106 0.000 0.948 621 D HN 0.449 nan 8.370 nan 0.000 0.472 622 S N -0.119 115.510 115.700 -0.118 0.000 2.457 622 S HA -0.320 4.150 4.470 0.001 0.000 0.269 622 S C 0.925 175.455 174.600 -0.117 0.000 1.139 622 S CA 2.174 60.373 58.200 -0.002 0.000 1.176 622 S CB -0.573 62.667 63.200 0.067 0.000 1.088 622 S HN 0.690 nan 8.310 nan 0.000 0.443 623 E N -1.187 118.914 120.200 -0.165 0.000 2.390 623 E HA 0.369 4.719 4.350 0.001 0.000 0.280 623 E C 0.556 177.011 176.600 -0.242 0.000 0.992 623 E CA -0.597 55.720 56.400 -0.139 0.000 0.790 623 E CB 0.281 29.942 29.700 -0.065 0.000 1.248 623 E HN -0.060 nan 8.360 nan 0.000 0.447 624 I N 1.422 121.859 120.570 -0.222 0.000 2.381 624 I HA -0.004 4.166 4.170 0.001 0.000 0.255 624 I C 1.135 176.988 176.117 -0.440 0.000 1.140 624 I CA 1.888 62.994 61.300 -0.324 0.000 1.404 624 I CB -1.390 36.514 38.000 -0.159 0.000 1.075 624 I HN 0.626 nan 8.210 nan 0.000 0.433 625 G N 0.586 109.166 108.800 -0.366 0.000 4.836 625 G HA2 0.510 4.471 3.960 0.001 0.000 0.222 625 G HA3 0.510 4.471 3.960 0.001 0.000 0.222 625 G C -0.097 174.638 174.900 -0.275 0.000 1.332 625 G CA 0.149 44.987 45.100 -0.438 0.000 0.606 625 G HN 0.536 nan 8.290 nan 0.000 0.357 626 G N -0.234 108.432 108.800 -0.223 0.000 3.042 626 G HA2 0.740 4.700 3.960 0.001 0.000 0.278 626 G HA3 0.740 4.700 3.960 0.001 0.000 0.278 626 G C -1.142 173.786 174.900 0.048 0.000 1.371 626 G CA -1.013 44.055 45.100 -0.054 0.000 1.009 626 G HN 0.379 nan 8.290 nan 0.000 0.523 627 I N 1.110 121.750 120.570 0.117 0.000 2.447 627 I HA 0.298 4.469 4.170 0.001 0.000 0.287 627 I C 0.217 176.346 176.117 0.020 0.000 1.023 627 I CA -0.706 60.658 61.300 0.106 0.000 1.083 627 I CB 2.295 40.375 38.000 0.133 0.000 1.245 627 I HN 0.547 nan 8.210 nan 0.000 0.434 628 T N 3.954 118.497 114.554 -0.018 0.000 2.889 628 T HA 0.640 4.990 4.350 0.001 0.000 0.291 628 T C -0.188 174.524 174.700 0.020 0.000 0.995 628 T CA -0.532 61.536 62.100 -0.052 0.000 1.092 628 T CB 1.118 69.980 68.868 -0.010 0.000 0.954 628 T HN 0.307 nan 8.240 nan 0.000 0.506 629 I N 2.429 123.028 120.570 0.048 0.000 2.312 629 I HA 0.483 4.653 4.170 0.001 0.000 0.291 629 I C 0.587 176.893 176.117 0.315 0.000 1.031 629 I CA -0.655 60.745 61.300 0.167 0.000 1.293 629 I CB 0.780 38.841 38.000 0.103 0.000 1.403 629 I HN 0.856 nan 8.210 nan 0.000 0.484 630 A N 7.368 130.379 122.820 0.318 0.000 2.276 630 A HA 0.682 5.002 4.320 0.001 0.000 0.316 630 A C -0.877 177.027 177.584 0.533 0.000 1.229 630 A CA -0.460 51.770 52.037 0.322 0.000 0.851 630 A CB 0.401 19.497 19.000 0.159 0.000 1.165 630 A HN 0.869 nan 8.150 nan 0.000 0.513 631 W N 2.357 123.834 121.300 0.295 0.000 3.307 631 W HA 0.815 5.475 4.660 0.001 0.000 0.325 631 W C -0.692 176.038 176.519 0.353 0.000 1.255 631 W CA -0.961 56.608 57.345 0.373 0.000 1.006 631 W CB 1.218 30.917 29.460 0.398 0.000 1.608 631 W HN 0.549 nan 8.180 nan 0.000 0.620 632 K N 1.933 122.596 120.400 0.439 0.000 2.601 632 K HA 0.388 4.708 4.320 0.001 0.000 0.249 632 K C -2.488 174.353 176.600 0.402 0.000 0.966 632 K CA -0.477 55.970 56.287 0.267 0.000 0.827 632 K CB 1.473 34.059 32.500 0.143 0.000 1.178 632 K HN 0.634 nan 8.250 nan 0.000 0.437 633 F N 2.092 122.296 119.950 0.425 0.000 2.538 633 F HA 0.242 4.769 4.527 0.001 0.000 0.325 633 F C 1.281 177.272 175.800 0.319 0.000 1.066 633 F CA -0.421 57.767 58.000 0.313 0.000 0.946 633 F CB 1.845 40.949 39.000 0.174 0.000 1.199 633 F HN 0.616 nan 8.300 nan 0.000 0.473 634 D N 0.501 121.118 120.400 0.361 0.000 2.219 634 D HA -0.120 4.520 4.640 0.001 0.000 0.205 634 D C 0.948 177.390 176.300 0.237 0.000 0.970 634 D CA 1.101 55.225 54.000 0.208 0.000 0.851 634 D CB 0.184 41.041 40.800 0.095 0.000 0.943 634 D HN 0.190 nan 8.370 nan 0.000 0.488 635 S N 0.714 116.616 115.700 0.337 0.000 3.700 635 S HA 0.180 4.651 4.470 0.001 0.000 0.192 635 S C -1.730 173.033 174.600 0.271 0.000 1.430 635 S CA -1.380 56.971 58.200 0.251 0.000 0.999 635 S CB 0.370 63.703 63.200 0.222 0.000 1.411 635 S HN 0.052 nan 8.310 nan 0.000 0.491 636 P HA 0.483 nan 4.420 nan 0.000 0.193 636 P C -0.342 176.622 177.300 -0.562 0.000 1.168 636 P CA 0.389 63.353 63.100 -0.226 0.000 0.844 636 P CB 0.470 32.078 31.700 -0.153 0.000 0.699 637 D N -4.117 116.055 120.400 -0.379 0.000 3.122 637 D HA 0.028 4.669 4.640 0.001 0.000 0.304 637 D C 0.498 176.713 176.300 -0.141 0.000 1.162 637 D CA -0.571 53.267 54.000 -0.268 0.000 0.715 637 D CB 0.287 40.873 40.800 -0.356 0.000 1.299 637 D HN -0.249 nan 8.370 nan 0.000 0.465 638 R N 0.256 120.705 120.500 -0.085 0.000 2.200 638 R HA 0.077 4.417 4.340 0.001 0.000 0.208 638 R C 0.638 176.901 176.300 -0.061 0.000 1.033 638 R CA 0.587 56.675 56.100 -0.021 0.000 1.000 638 R CB -0.715 29.544 30.300 -0.067 0.000 0.906 638 R HN 0.193 nan 8.270 nan 0.000 0.462 639 N N 1.411 120.029 118.700 -0.137 0.000 3.188 639 N HA 0.088 4.829 4.740 0.001 0.000 0.279 639 N C -0.736 174.570 175.510 -0.339 0.000 1.213 639 N CA 0.002 52.944 53.050 -0.179 0.000 1.138 639 N CB -0.098 38.285 38.487 -0.173 0.000 1.417 639 N HN 0.109 nan 8.380 nan 0.000 0.526 640 L N 0.922 121.978 121.223 -0.279 0.000 2.436 640 L HA 0.271 4.611 4.340 0.001 0.000 0.265 640 L C -0.002 176.559 176.870 -0.515 0.000 1.168 640 L CA -0.790 53.773 54.840 -0.462 0.000 0.815 640 L CB 0.601 42.511 42.059 -0.248 0.000 1.109 640 L HN 0.458 nan 8.230 nan 0.000 0.462 641 W N 4.387 125.373 121.300 -0.523 0.000 2.797 641 W HA -0.032 4.629 4.660 0.001 0.000 0.371 641 W C 0.132 176.020 176.519 -1.052 0.000 1.334 641 W CA -0.193 56.490 57.345 -1.103 0.000 1.333 641 W CB -0.702 27.556 29.460 -2.003 0.000 1.445 641 W HN 0.502 nan 8.180 nan 0.000 0.579 642 N N 3.683 122.167 118.700 -0.360 0.000 2.397 642 N HA 0.568 5.309 4.740 0.001 0.000 0.291 642 N C -1.224 174.371 175.510 0.141 0.000 1.065 642 N CA -1.112 51.937 53.050 -0.002 0.000 0.884 642 N CB 1.196 39.702 38.487 0.030 0.000 1.551 642 N HN 0.326 nan 8.380 nan 0.000 0.487 643 L N -1.171 120.250 121.223 0.331 0.000 2.375 643 L HA 0.680 5.020 4.340 0.001 0.000 0.268 643 L C -0.122 176.724 176.870 -0.041 0.000 1.058 643 L CA -1.160 53.789 54.840 0.183 0.000 0.803 643 L CB 1.024 43.235 42.059 0.254 0.000 1.212 643 L HN 0.391 nan 8.230 nan 0.000 0.451 644 K N 1.358 121.700 120.400 -0.097 0.000 2.380 644 K HA 0.252 4.572 4.320 0.001 0.000 0.267 644 K C -2.245 174.138 176.600 -0.362 0.000 0.990 644 K CA -0.982 55.215 56.287 -0.149 0.000 0.946 644 K CB 0.049 32.501 32.500 -0.080 0.000 0.937 644 K HN 0.494 nan 8.250 nan 0.000 0.491 645 P HA -0.025 nan 4.420 nan 0.000 0.269 645 P C -0.940 176.110 177.300 -0.417 0.000 1.215 645 P CA 0.322 63.234 63.100 -0.313 0.000 0.780 645 P CB 0.360 31.976 31.700 -0.140 0.000 0.898 646 F N 0.104 119.931 119.950 -0.204 0.000 2.436 646 F HA 0.404 4.932 4.527 0.001 0.000 0.340 646 F C 1.409 176.913 175.800 -0.495 0.000 1.113 646 F CA -0.556 57.165 58.000 -0.465 0.000 1.022 646 F CB 1.684 40.181 39.000 -0.838 0.000 1.128 646 F HN 0.241 nan 8.300 nan 0.000 0.466 647 T N -1.663 112.748 114.554 -0.239 0.000 2.876 647 T HA 0.143 4.493 4.350 0.001 0.000 0.277 647 T C 1.206 175.795 174.700 -0.186 0.000 0.997 647 T CA -0.189 61.819 62.100 -0.153 0.000 0.966 647 T CB 1.432 70.248 68.868 -0.088 0.000 1.312 647 T HN 0.576 nan 8.240 nan 0.000 0.598 648 T N -0.472 114.093 114.554 0.019 0.000 2.737 648 T HA -0.134 4.216 4.350 0.001 0.000 0.269 648 T C 2.055 176.767 174.700 0.020 0.000 1.040 648 T CA 1.880 64.050 62.100 0.118 0.000 1.142 648 T CB -0.556 68.450 68.868 0.230 0.000 0.861 648 T HN 0.579 nan 8.240 nan 0.000 0.456 649 R N 0.411 120.896 120.500 -0.025 0.000 2.171 649 R HA -0.148 4.192 4.340 0.001 0.000 0.226 649 R C 2.165 178.409 176.300 -0.094 0.000 1.113 649 R CA 2.585 58.665 56.100 -0.034 0.000 0.887 649 R CB -0.643 29.632 30.300 -0.041 0.000 0.830 649 R HN 0.499 nan 8.270 nan 0.000 0.432 650 D N -0.377 119.907 120.400 -0.195 0.000 2.191 650 D HA -0.242 4.398 4.640 0.001 0.000 0.190 650 D C 1.707 177.828 176.300 -0.299 0.000 1.007 650 D CA 1.924 55.734 54.000 -0.317 0.000 0.865 650 D CB -0.392 40.118 40.800 -0.484 0.000 0.929 650 D HN 0.290 nan 8.370 nan 0.000 0.447 651 F N 0.550 120.359 119.950 -0.235 0.000 2.325 651 F HA -0.097 4.431 4.527 0.001 0.000 0.299 651 F C 2.530 178.205 175.800 -0.208 0.000 1.090 651 F CA 0.270 58.064 58.000 -0.344 0.000 1.392 651 F CB 0.079 38.653 39.000 -0.711 0.000 1.053 651 F HN -0.094 nan 8.300 nan 0.000 0.521 652 S N 0.871 116.628 115.700 0.094 0.000 2.325 652 S HA -0.189 4.282 4.470 0.001 0.000 0.213 652 S C 1.990 176.626 174.600 0.060 0.000 1.031 652 S CA 1.013 59.299 58.200 0.143 0.000 0.984 652 S CB -0.647 62.643 63.200 0.150 0.000 0.939 652 S HN 0.368 nan 8.310 nan 0.000 0.438 653 I N 1.007 121.586 120.570 0.015 0.000 2.285 653 I HA -0.198 3.973 4.170 0.001 0.000 0.253 653 I C 0.835 176.938 176.117 -0.023 0.000 1.104 653 I CA 1.532 62.824 61.300 -0.013 0.000 1.372 653 I CB 0.110 38.090 38.000 -0.033 0.000 1.057 653 I HN 0.111 nan 8.210 nan 0.000 0.431 654 R N -0.290 120.191 120.500 -0.032 0.000 2.579 654 R HA 0.292 4.632 4.340 0.001 0.000 0.260 654 R C -0.726 175.588 176.300 0.023 0.000 1.103 654 R CA -0.029 56.056 56.100 -0.025 0.000 0.942 654 R CB 1.207 31.460 30.300 -0.078 0.000 1.251 654 R HN 0.240 nan 8.270 nan 0.000 0.450 655 S N 3.224 118.956 115.700 0.053 0.000 2.580 655 S HA 0.092 4.562 4.470 0.001 0.000 0.274 655 S C 1.250 175.897 174.600 0.078 0.000 1.329 655 S CA -0.680 57.572 58.200 0.087 0.000 1.036 655 S CB 1.343 64.595 63.200 0.086 0.000 0.919 655 S HN 0.658 nan 8.310 nan 0.000 0.515 656 L N 3.081 124.326 121.223 0.036 0.000 1.990 656 L HA -0.047 4.294 4.340 0.001 0.000 0.213 656 L C 2.626 179.441 176.870 -0.091 0.000 1.072 656 L CA 2.622 57.462 54.840 0.000 0.000 0.755 656 L CB -1.401 40.500 42.059 -0.262 0.000 0.889 656 L HN 0.951 nan 8.230 nan 0.000 0.432 657 A N -0.582 122.211 122.820 -0.045 0.000 1.892 657 A HA -0.298 4.023 4.320 0.001 0.000 0.218 657 A C 2.062 179.736 177.584 0.151 0.000 1.188 657 A CA 2.230 54.295 52.037 0.047 0.000 0.631 657 A CB -1.109 18.115 19.000 0.373 0.000 0.822 657 A HN 0.638 nan 8.150 nan 0.000 0.447 658 D N -0.743 119.751 120.400 0.157 0.000 2.092 658 D HA -0.147 4.493 4.640 0.001 0.000 0.193 658 D C 2.202 178.463 176.300 -0.064 0.000 0.994 658 D CA 1.383 55.429 54.000 0.077 0.000 0.828 658 D CB -0.384 40.443 40.800 0.044 0.000 0.963 658 D HN 0.448 nan 8.370 nan 0.000 0.450 659 R N 0.190 120.634 120.500 -0.094 0.000 2.103 659 R HA -0.113 4.227 4.340 0.001 0.000 0.242 659 R C 2.607 178.783 176.300 -0.207 0.000 1.142 659 R CA 0.855 56.852 56.100 -0.171 0.000 0.960 659 R CB -0.384 29.771 30.300 -0.241 0.000 0.858 659 R HN 0.234 nan 8.270 nan 0.000 0.439 660 L N -0.976 120.103 121.223 -0.240 0.000 2.093 660 L HA -0.051 4.290 4.340 0.001 0.000 0.208 660 L C 2.475 179.152 176.870 -0.322 0.000 1.085 660 L CA 1.251 55.866 54.840 -0.376 0.000 0.755 660 L CB -0.583 41.127 42.059 -0.582 0.000 0.904 660 L HN 0.352 nan 8.230 nan 0.000 0.435 661 G N -0.859 107.827 108.800 -0.189 0.000 2.598 661 G HA2 -0.169 3.791 3.960 0.001 0.000 0.215 661 G HA3 -0.169 3.791 3.960 0.001 0.000 0.215 661 G C 1.053 175.750 174.900 -0.338 0.000 1.131 661 G CA 0.417 45.352 45.100 -0.273 0.000 0.785 661 G HN 0.308 nan 8.290 nan 0.000 0.539 662 D N 0.072 120.294 120.400 -0.297 0.000 2.305 662 D HA 0.065 4.706 4.640 0.001 0.000 0.206 662 D C 0.986 177.094 176.300 -0.321 0.000 0.974 662 D CA 0.146 53.986 54.000 -0.268 0.000 0.871 662 D CB 0.382 41.057 40.800 -0.208 0.000 0.947 662 D HN 0.249 nan 8.370 nan 0.000 0.516 663 L N 2.015 122.964 121.223 -0.456 0.000 2.265 663 L HA 0.264 4.604 4.340 0.001 0.000 0.288 663 L C 1.330 177.721 176.870 -0.799 0.000 1.058 663 L CA -0.464 53.915 54.840 -0.768 0.000 0.809 663 L CB 1.034 42.422 42.059 -1.117 0.000 1.179 663 L HN -0.216 nan 8.230 nan 0.000 0.429 664 N N 2.343 120.651 118.700 -0.652 0.000 2.250 664 N HA -0.155 4.585 4.740 0.001 0.000 0.181 664 N C 1.672 176.979 175.510 -0.338 0.000 1.017 664 N CA 1.164 53.990 53.050 -0.374 0.000 0.866 664 N CB -0.007 38.362 38.487 -0.197 0.000 0.985 664 N HN 0.712 nan 8.380 nan 0.000 0.429 665 Y N 1.099 121.214 120.300 -0.309 0.000 2.256 665 Y HA 0.044 4.594 4.550 0.001 0.000 0.288 665 Y C 1.033 176.829 175.900 -0.174 0.000 1.155 665 Y CA 0.093 58.038 58.100 -0.258 0.000 1.203 665 Y CB -1.027 37.158 38.460 -0.458 0.000 0.980 665 Y HN -0.146 nan 8.280 nan 0.000 0.530 666 L N 1.592 122.436 121.223 -0.631 0.000 2.600 666 L HA 0.022 4.362 4.340 0.001 0.000 0.278 666 L C 0.615 177.476 176.870 -0.016 0.000 1.139 666 L CA 0.005 54.612 54.840 -0.388 0.000 0.933 666 L CB 0.292 41.766 42.059 -0.976 0.000 1.266 666 L HN 0.316 nan 8.230 nan 0.000 0.471 667 I N 3.158 123.827 120.570 0.165 0.000 2.899 667 I HA 0.083 4.254 4.170 0.001 0.000 0.257 667 I C -0.237 175.840 176.117 -0.066 0.000 1.115 667 I CA 0.415 61.669 61.300 -0.076 0.000 1.451 667 I CB 0.535 38.331 38.000 -0.339 0.000 1.251 667 I HN 0.391 nan 8.210 nan 0.000 0.456 668 Y N -1.097 119.320 120.300 0.195 0.000 2.534 668 Y HA 0.561 5.111 4.550 0.001 0.000 0.345 668 Y C -0.377 175.284 175.900 -0.398 0.000 1.031 668 Y CA -2.293 55.808 58.100 0.002 0.000 1.022 668 Y CB 0.272 38.724 38.460 -0.013 0.000 1.292 668 Y HN -0.178 nan 8.280 nan 0.000 0.459 669 V N 2.994 122.756 119.914 -0.254 0.000 2.508 669 V HA 0.174 4.294 4.120 0.001 0.000 0.281 669 V C 1.209 177.167 176.094 -0.226 0.000 1.041 669 V CA -0.399 61.575 62.300 -0.543 0.000 1.016 669 V CB 0.173 31.922 31.823 -0.122 0.000 0.984 669 V HN 0.931 nan 8.190 nan 0.000 0.478 670 F N 6.248 125.992 119.950 -0.344 0.000 2.659 670 F HA -0.270 4.257 4.527 0.001 0.000 0.288 670 F C -0.639 175.101 175.800 -0.099 0.000 1.265 670 F CA 3.542 61.446 58.000 -0.161 0.000 1.439 670 F CB -2.241 36.695 39.000 -0.106 0.000 0.807 670 F HN 0.584 nan 8.300 nan 0.000 0.572 671 P HA -0.183 nan 4.420 nan 0.000 0.219 671 P C 0.714 177.645 177.300 -0.615 0.000 1.158 671 P CA 3.169 65.712 63.100 -0.928 0.000 0.895 671 P CB -0.103 31.355 31.700 -0.403 0.000 0.792 672 D N -5.554 114.611 120.400 -0.391 0.000 1.520 672 D HA -0.055 4.586 4.640 0.001 0.000 0.776 672 D C 0.171 176.228 176.300 -0.406 0.000 0.570 672 D CA -0.153 53.628 54.000 -0.365 0.000 1.290 672 D CB -0.772 39.826 40.800 -0.337 0.000 1.181 672 D HN 0.176 nan 8.370 nan 0.000 0.425 673 R N 2.831 123.173 120.500 -0.264 0.000 2.537 673 R HA 0.299 4.639 4.340 0.001 0.000 0.281 673 R C -2.307 173.969 176.300 -0.040 0.000 0.988 673 R CA -0.705 55.287 56.100 -0.179 0.000 1.077 673 R CB -0.600 29.630 30.300 -0.117 0.000 0.932 673 R HN 0.030 nan 8.270 nan 0.000 0.409 674 P HA -0.047 nan 4.420 nan 0.000 0.270 674 P C -0.062 177.405 177.300 0.278 0.000 1.223 674 P CA -0.296 62.999 63.100 0.324 0.000 0.785 674 P CB 0.907 32.767 31.700 0.268 0.000 0.923 675 K N 1.459 122.067 120.400 0.347 0.000 1.963 675 K HA -0.202 4.118 4.320 0.001 0.000 0.216 675 K C 1.248 178.084 176.600 0.392 0.000 1.045 675 K CA 2.438 58.979 56.287 0.423 0.000 0.954 675 K CB -0.814 31.929 32.500 0.405 0.000 0.732 675 K HN 0.322 nan 8.250 nan 0.000 0.442 676 D N 0.638 121.237 120.400 0.332 0.000 2.347 676 D HA -0.287 4.353 4.640 0.001 0.000 0.189 676 D C 1.738 178.118 176.300 0.133 0.000 1.020 676 D CA 2.044 56.215 54.000 0.286 0.000 0.875 676 D CB -0.471 40.465 40.800 0.228 0.000 0.928 676 D HN 0.468 nan 8.370 nan 0.000 0.454 677 E N -0.167 120.096 120.200 0.105 0.000 2.086 677 E HA -0.236 4.115 4.350 0.001 0.000 0.205 677 E C 1.643 178.217 176.600 -0.043 0.000 1.027 677 E CA 1.655 58.068 56.400 0.021 0.000 0.830 677 E CB 0.002 29.715 29.700 0.021 0.000 0.751 677 E HN 0.166 nan 8.360 nan 0.000 0.456 678 V N -0.322 119.568 119.914 -0.039 0.000 3.649 678 V HA 0.009 4.129 4.120 0.001 0.000 0.275 678 V C 0.551 176.308 176.094 -0.562 0.000 1.281 678 V CA 0.760 62.896 62.300 -0.273 0.000 1.143 678 V CB -0.111 31.513 31.823 -0.331 0.000 0.892 678 V HN 0.284 nan 8.190 nan 0.000 0.441 679 F N -1.124 118.806 119.950 -0.034 0.000 2.856 679 F HA 0.408 4.935 4.527 0.001 0.000 0.338 679 F C 2.138 177.512 175.800 -0.709 0.000 1.005 679 F CA 0.529 58.445 58.000 -0.140 0.000 1.155 679 F CB -0.305 38.623 39.000 -0.122 0.000 1.010 679 F HN -0.018 nan 8.300 nan 0.000 0.587 680 A N 0.633 123.079 122.820 -0.622 0.000 2.084 680 A HA -0.250 4.070 4.320 0.001 0.000 0.221 680 A C 2.224 179.568 177.584 -0.400 0.000 1.161 680 A CA 1.885 53.539 52.037 -0.639 0.000 0.653 680 A CB -0.660 18.292 19.000 -0.080 0.000 0.802 680 A HN 0.335 nan 8.150 nan 0.000 0.457 681 K N -1.439 118.659 120.400 -0.503 0.000 2.063 681 K HA -0.194 4.127 4.320 0.001 0.000 0.208 681 K C 0.941 177.208 176.600 -0.555 0.000 1.048 681 K CA 1.921 57.821 56.287 -0.645 0.000 0.928 681 K CB -0.230 31.581 32.500 -1.147 0.000 0.713 681 K HN 0.652 nan 8.250 nan 0.000 0.442 682 Y N -1.332 118.917 120.300 -0.085 0.000 2.458 682 Y HA 0.170 4.720 4.550 0.001 0.000 0.256 682 Y C -0.037 175.927 175.900 0.107 0.000 1.159 682 Y CA -0.647 57.473 58.100 0.034 0.000 1.261 682 Y CB -0.275 38.287 38.460 0.170 0.000 1.119 682 Y HN -0.066 nan 8.280 nan 0.000 0.524 683 Y N 0.489 120.902 120.300 0.187 0.000 2.480 683 Y HA 0.114 4.665 4.550 0.001 0.000 0.338 683 Y C 1.183 177.129 175.900 0.078 0.000 1.220 683 Y CA -0.254 57.917 58.100 0.117 0.000 1.430 683 Y CB 0.679 39.182 38.460 0.072 0.000 1.311 683 Y HN -0.177 nan 8.280 nan 0.000 0.575 684 T N 5.097 119.789 114.554 0.230 0.000 2.771 684 T HA 0.297 4.648 4.350 0.001 0.000 0.291 684 T C -1.761 172.989 174.700 0.084 0.000 0.954 684 T CA -1.591 60.584 62.100 0.126 0.000 1.045 684 T CB 0.346 69.267 68.868 0.087 0.000 0.917 684 T HN 0.500 nan 8.240 nan 0.000 0.484 685 P HA 0.653 nan 4.420 nan 0.000 0.328 685 P C -0.662 176.650 177.300 0.019 0.000 1.305 685 P CA -0.477 62.646 63.100 0.038 0.000 0.745 685 P CB 0.567 32.289 31.700 0.036 0.000 1.462 686 V N -2.379 117.541 119.914 0.010 0.000 4.537 686 V HA 0.223 4.344 4.120 0.001 0.000 0.308 686 V C 0.499 176.595 176.094 0.004 0.000 1.541 686 V CA -0.728 61.575 62.300 0.005 0.000 0.869 686 V CB -0.100 31.723 31.823 -0.001 0.000 1.211 686 V HN 0.187 nan 8.190 nan 0.000 0.463 687 L N 1.546 122.769 121.223 0.000 0.000 3.035 687 L HA 0.648 4.988 4.340 0.001 0.000 0.232 687 L C 0.671 177.539 176.870 -0.004 0.000 1.341 687 L CA 0.359 55.199 54.840 -0.001 0.000 1.177 687 L CB -0.139 41.919 42.059 -0.002 0.000 1.555 687 L HN 0.685 nan 8.230 nan 0.000 0.473 688 A N -0.297 122.521 122.820 -0.004 0.000 2.529 688 A HA 0.615 4.936 4.320 0.001 0.000 0.269 688 A C 0.590 178.168 177.584 -0.009 0.000 1.509 688 A CA -0.196 51.836 52.037 -0.009 0.000 0.857 688 A CB 0.759 19.751 19.000 -0.013 0.000 1.531 688 A HN 0.240 nan 8.150 nan 0.000 0.541 689 K N -1.776 118.615 120.400 -0.014 0.000 1.950 689 K HA 0.668 4.988 4.320 0.001 0.000 0.259 689 K C 0.153 176.744 176.600 -0.015 0.000 1.013 689 K CA -0.200 56.078 56.287 -0.014 0.000 1.147 689 K CB 0.797 33.287 32.500 -0.017 0.000 2.115 689 K HN 0.732 nan 8.250 nan 0.000 0.877 690 A N 0.000 122.810 122.820 -0.017 0.000 2.254 690 A HA 0.000 4.320 4.320 0.001 0.000 0.244 690 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 690 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 690 A HN 0.000 nan 8.150 nan 0.000 0.486