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 1qz7_1_A DATA FIRST_RESID 142 DATA SEQUENCE YQDDAELATR AIPELTKLLN DEDQVVVNKA AVMVHQLSKK EASRHAIMRS DATA SEQUENCE PQMVSAIVRT MQNTNDVETA RCTAGTLHNL SHHREGLLAI FKSGGIPALV DATA SEQUENCE KMLGSPVDSV LFYAITTLHN LLLHQEGAKM AVRLAGGLQK MVALLNKTNV DATA SEQUENCE KFLAITTDCL QILAYGNQES KLIILASGGP QALVNIMRTY TYEKLLWTTS DATA SEQUENCE RVLKVLSVCS SNKPAIVEAG GMQALGLHLT DPSQRLVQNC LWTLRNLSDA DATA SEQUENCE ATKQEGMEGL LGTLVQLLGS DDINVVTCAA GILSNLTCNN YKNKMMVCQV DATA SEQUENCE GGIEALVRTV LRAGDREDIT EPAICALRHL TSRHQEAEMA QNAVRLHYGL DATA SEQUENCE PVVVKLLHPP SHWPLIKATV GLIRNLALCP ANHAPLREQG AIPRLVQLLV DATA SEQUENCE RAHQDTQRRT SMGGTQQQFV EGVRMEEIVE GCTGALHILA RDVHNRIVIR DATA SEQUENCE GLNTIPLFVQ LLYSPIENIQ RVAAGVLCEL AQDKEAAEAI EAEGATAPLT DATA SEQUENCE ELLHSRNEGV ATYAAAVLFR MSED 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 142 Y HA 0.000 nan 4.550 nan 0.000 0.201 142 Y C 0.000 175.890 175.900 -0.017 0.000 1.272 142 Y CA 0.000 58.090 58.100 -0.016 0.000 1.940 142 Y CB 0.000 38.448 38.460 -0.021 0.000 1.050 143 Q N 1.347 121.274 119.800 0.213 0.000 2.508 143 Q HA -0.035 4.290 4.340 -0.025 0.000 0.214 143 Q C 0.943 176.971 176.000 0.047 0.000 0.979 143 Q CA 1.777 57.660 55.803 0.134 0.000 0.911 143 Q CB -0.771 28.018 28.738 0.086 0.000 0.969 143 Q HN 0.744 nan 8.270 nan 0.000 0.504 144 D N -2.707 117.697 120.400 0.006 0.000 2.469 144 D HA 0.051 4.676 4.640 -0.025 0.000 0.213 144 D C -0.036 176.222 176.300 -0.071 0.000 1.135 144 D CA 0.478 54.464 54.000 -0.023 0.000 0.834 144 D CB 0.205 40.998 40.800 -0.012 0.000 1.009 144 D HN 0.380 nan 8.370 nan 0.000 0.507 145 D N 1.740 122.051 120.400 -0.148 0.000 2.146 145 D HA 0.076 4.701 4.640 -0.025 0.000 0.209 145 D C 1.816 178.003 176.300 -0.189 0.000 0.973 145 D CA 1.527 55.393 54.000 -0.222 0.000 0.860 145 D CB -0.132 40.401 40.800 -0.444 0.000 1.015 145 D HN 0.255 nan 8.370 nan 0.000 0.465 146 A N -0.603 122.092 122.820 -0.208 0.000 2.268 146 A HA 0.399 4.704 4.320 -0.025 0.000 0.221 146 A C 1.409 178.961 177.584 -0.052 0.000 1.287 146 A CA 1.294 53.263 52.037 -0.113 0.000 0.902 146 A CB -0.797 18.159 19.000 -0.073 0.000 0.877 146 A HN 0.281 nan 8.150 nan 0.000 0.487 147 E N -1.502 118.667 120.200 -0.052 0.000 2.571 147 E HA 0.294 4.629 4.350 -0.025 0.000 0.204 147 E C 1.487 178.071 176.600 -0.027 0.000 0.851 147 E CA 0.686 57.070 56.400 -0.027 0.000 1.358 147 E CB -0.480 29.212 29.700 -0.014 0.000 1.327 147 E HN 0.428 nan 8.360 nan 0.000 0.665 148 L N 0.475 121.676 121.223 -0.036 0.000 2.221 148 L HA 0.540 4.865 4.340 -0.025 0.000 0.202 148 L C 2.698 179.548 176.870 -0.033 0.000 1.074 148 L CA 2.096 56.918 54.840 -0.030 0.000 0.795 148 L CB -0.082 41.959 42.059 -0.029 0.000 0.960 148 L HN 0.345 nan 8.230 nan 0.000 0.458 149 A N -0.750 122.041 122.820 -0.048 0.000 1.972 149 A HA -0.214 4.091 4.320 -0.025 0.000 0.219 149 A C 2.297 179.861 177.584 -0.033 0.000 1.169 149 A CA 2.280 54.290 52.037 -0.045 0.000 0.635 149 A CB -1.342 17.618 19.000 -0.066 0.000 0.810 149 A HN 0.617 nan 8.150 nan 0.000 0.446 150 T N -2.288 112.246 114.554 -0.033 0.000 2.746 150 T HA -0.089 4.246 4.350 -0.025 0.000 0.267 150 T C 1.998 176.688 174.700 -0.016 0.000 1.039 150 T CA 1.932 64.019 62.100 -0.021 0.000 1.142 150 T CB -0.635 68.222 68.868 -0.019 0.000 0.866 150 T HN 0.554 nan 8.240 nan 0.000 0.444 151 R N 0.851 121.342 120.500 -0.016 0.000 2.307 151 R HA 0.663 4.988 4.340 -0.025 0.000 0.199 151 R C 2.409 178.702 176.300 -0.012 0.000 1.000 151 R CA 1.094 57.187 56.100 -0.012 0.000 1.023 151 R CB -1.174 29.119 30.300 -0.011 0.000 0.908 151 R HN 0.755 nan 8.270 nan 0.000 0.473 152 A N 0.062 122.873 122.820 -0.015 0.000 2.115 152 A HA 0.289 4.594 4.320 -0.025 0.000 0.211 152 A C 1.992 179.569 177.584 -0.011 0.000 1.169 152 A CA 0.327 52.356 52.037 -0.013 0.000 0.787 152 A CB 0.102 19.092 19.000 -0.017 0.000 0.858 152 A HN 0.308 nan 8.150 nan 0.000 0.474 153 I N 0.769 121.332 120.570 -0.012 0.000 2.127 153 I HA -0.146 4.009 4.170 -0.025 0.000 0.241 153 I C -0.584 175.529 176.117 -0.007 0.000 1.075 153 I CA 1.527 62.821 61.300 -0.010 0.000 1.334 153 I CB -2.214 35.780 38.000 -0.010 0.000 1.040 153 I HN 0.129 nan 8.210 nan 0.000 0.405 154 P HA -0.152 nan 4.420 nan 0.000 0.221 154 P C 1.484 178.782 177.300 -0.004 0.000 1.145 154 P CA 1.186 64.283 63.100 -0.005 0.000 0.795 154 P CB 0.159 31.856 31.700 -0.005 0.000 0.775 155 E N 0.201 120.398 120.200 -0.005 0.000 1.999 155 E HA -0.124 4.211 4.350 -0.025 0.000 0.194 155 E C 1.853 178.452 176.600 -0.003 0.000 0.995 155 E CA 1.241 57.639 56.400 -0.004 0.000 0.825 155 E CB -1.261 28.437 29.700 -0.005 0.000 0.777 155 E HN 0.051 nan 8.360 nan 0.000 0.459 156 L N 0.454 121.676 121.223 -0.002 0.000 2.189 156 L HA -0.194 4.131 4.340 -0.025 0.000 0.214 156 L C 2.378 179.247 176.870 -0.000 0.000 1.097 156 L CA 1.623 56.463 54.840 -0.000 0.000 0.764 156 L CB -0.680 41.379 42.059 0.001 0.000 0.900 156 L HN 0.253 nan 8.230 nan 0.000 0.436 157 T N -0.704 113.849 114.554 -0.002 0.000 2.915 157 T HA -0.155 4.180 4.350 -0.025 0.000 0.269 157 T C 1.886 176.585 174.700 -0.002 0.000 1.071 157 T CA 1.086 63.184 62.100 -0.002 0.000 1.132 157 T CB -0.031 68.835 68.868 -0.004 0.000 0.878 157 T HN 0.350 nan 8.240 nan 0.000 0.479 158 K N 0.412 120.811 120.400 -0.002 0.000 2.103 158 K HA 0.081 4.386 4.320 -0.025 0.000 0.204 158 K C 2.088 178.687 176.600 -0.001 0.000 1.052 158 K CA 0.634 56.919 56.287 -0.002 0.000 0.945 158 K CB -0.231 32.268 32.500 -0.002 0.000 0.722 158 K HN 0.130 nan 8.250 nan 0.000 0.443 159 L N 1.184 122.407 121.223 -0.001 0.000 2.109 159 L HA -0.078 4.247 4.340 -0.025 0.000 0.207 159 L C 1.716 178.586 176.870 0.000 0.000 1.086 159 L CA 1.365 56.205 54.840 0.000 0.000 0.760 159 L CB -0.290 41.770 42.059 0.001 0.000 0.910 159 L HN 0.128 nan 8.230 nan 0.000 0.437 160 L N -0.066 121.157 121.223 0.000 0.000 2.450 160 L HA -0.114 4.211 4.340 -0.025 0.000 0.224 160 L C 1.211 178.080 176.870 -0.001 0.000 1.149 160 L CA 1.179 56.019 54.840 -0.000 0.000 0.816 160 L CB -1.204 40.855 42.059 0.000 0.000 0.932 160 L HN 0.487 nan 8.230 nan 0.000 0.449 161 N N -0.748 117.950 118.700 -0.002 0.000 2.214 161 N HA -0.003 4.722 4.740 -0.025 0.000 0.214 161 N C 0.341 175.850 175.510 -0.002 0.000 1.132 161 N CA -0.042 53.006 53.050 -0.003 0.000 0.856 161 N CB 0.752 39.237 38.487 -0.003 0.000 1.020 161 N HN 0.270 nan 8.380 nan 0.000 0.509 162 D N 1.065 121.463 120.400 -0.002 0.000 2.399 162 D HA -0.001 4.624 4.640 -0.025 0.000 0.241 162 D C 0.505 176.803 176.300 -0.002 0.000 1.133 162 D CA 0.198 54.197 54.000 -0.002 0.000 0.890 162 D CB 1.448 42.247 40.800 -0.001 0.000 1.201 162 D HN -0.064 nan 8.370 nan 0.000 0.432 163 E N 0.799 120.998 120.200 -0.002 0.000 2.358 163 E HA -0.046 4.289 4.350 -0.025 0.000 0.195 163 E C -0.184 176.415 176.600 -0.002 0.000 1.010 163 E CA 0.249 56.647 56.400 -0.002 0.000 0.856 163 E CB 0.040 29.739 29.700 -0.002 0.000 0.795 163 E HN 0.403 nan 8.360 nan 0.000 0.504 164 D N 0.876 121.274 120.400 -0.002 0.000 2.359 164 D HA -0.028 4.597 4.640 -0.025 0.000 0.250 164 D C -0.204 176.095 176.300 -0.002 0.000 1.264 164 D CA -0.067 53.932 54.000 -0.002 0.000 0.911 164 D CB 0.427 41.227 40.800 -0.002 0.000 1.056 164 D HN -0.227 nan 8.370 nan 0.000 0.499 165 Q N 3.385 123.184 119.800 -0.003 0.000 2.800 165 Q HA 0.087 4.412 4.340 -0.025 0.000 0.261 165 Q C 0.126 176.124 176.000 -0.003 0.000 1.093 165 Q CA 0.119 55.920 55.803 -0.004 0.000 0.943 165 Q CB 0.372 29.108 28.738 -0.004 0.000 1.591 165 Q HN 0.479 nan 8.270 nan 0.000 0.429 166 V N -2.316 117.596 119.914 -0.003 0.000 3.110 166 V HA -0.044 4.061 4.120 -0.025 0.000 0.233 166 V C 1.329 177.423 176.094 -0.001 0.000 1.550 166 V CA 0.172 62.471 62.300 -0.002 0.000 1.186 166 V CB 0.718 32.540 31.823 -0.002 0.000 1.052 166 V HN 0.158 nan 8.190 nan 0.000 0.452 167 V N -0.010 119.904 119.914 -0.000 0.000 3.307 167 V HA 0.029 4.134 4.120 -0.025 0.000 0.253 167 V C 2.204 178.299 176.094 0.001 0.000 1.149 167 V CA 1.159 63.460 62.300 0.001 0.000 1.112 167 V CB 0.842 32.666 31.823 0.001 0.000 0.777 167 V HN 0.386 nan 8.190 nan 0.000 0.464 168 V N 1.603 121.517 119.914 0.000 0.000 2.720 168 V HA -0.229 3.876 4.120 -0.025 0.000 0.256 168 V C 2.105 178.200 176.094 0.001 0.000 1.082 168 V CA 2.158 64.458 62.300 0.000 0.000 1.101 168 V CB -1.049 30.773 31.823 -0.001 0.000 0.693 168 V HN 0.647 nan 8.190 nan 0.000 0.479 169 N N -0.271 118.429 118.700 0.000 0.000 2.300 169 N HA -0.081 4.644 4.740 -0.025 0.000 0.179 169 N C 1.809 177.322 175.510 0.005 0.000 1.016 169 N CA 0.578 53.628 53.050 -0.000 0.000 0.876 169 N CB -0.245 38.241 38.487 -0.002 0.000 0.979 169 N HN 0.246 nan 8.380 nan 0.000 0.432 170 K N 1.086 121.490 120.400 0.006 0.000 2.032 170 K HA 0.030 4.335 4.320 -0.025 0.000 0.209 170 K C 1.945 178.554 176.600 0.014 0.000 1.048 170 K CA 1.196 57.489 56.287 0.010 0.000 0.927 170 K CB -0.565 31.939 32.500 0.007 0.000 0.712 170 K HN 0.218 nan 8.250 nan 0.000 0.441 171 A N 1.151 123.978 122.820 0.011 0.000 1.877 171 A HA -0.108 4.197 4.320 -0.025 0.000 0.216 171 A C 2.386 179.983 177.584 0.021 0.000 1.186 171 A CA 2.199 54.244 52.037 0.013 0.000 0.620 171 A CB -0.712 18.293 19.000 0.008 0.000 0.822 171 A HN 0.332 nan 8.150 nan 0.000 0.443 172 A N -0.471 122.359 122.820 0.017 0.000 1.958 172 A HA -0.112 4.193 4.320 -0.025 0.000 0.221 172 A C 2.244 179.856 177.584 0.046 0.000 1.178 172 A CA 2.188 54.237 52.037 0.021 0.000 0.642 172 A CB -1.007 17.994 19.000 0.002 0.000 0.816 172 A HN 0.456 nan 8.150 nan 0.000 0.453 173 V N -0.402 119.539 119.914 0.045 0.000 2.270 173 V HA -0.300 3.805 4.120 -0.025 0.000 0.245 173 V C 2.628 178.778 176.094 0.094 0.000 1.043 173 V CA 2.192 64.537 62.300 0.074 0.000 1.014 173 V CB -0.770 31.084 31.823 0.050 0.000 0.645 173 V HN 0.580 nan 8.190 nan 0.000 0.447 174 M N -0.311 119.322 119.600 0.055 0.000 2.080 174 M HA -0.168 4.297 4.480 -0.025 0.000 0.260 174 M C 2.243 178.566 176.300 0.038 0.000 1.068 174 M CA 1.677 57.000 55.300 0.038 0.000 1.109 174 M CB -0.624 31.989 32.600 0.021 0.000 1.342 174 M HN 0.233 nan 8.290 nan 0.000 0.405 175 V N -0.451 119.490 119.914 0.045 0.000 2.332 175 V HA -0.308 3.797 4.120 -0.025 0.000 0.248 175 V C 2.306 178.435 176.094 0.059 0.000 1.055 175 V CA 2.397 64.720 62.300 0.038 0.000 1.038 175 V CB -1.066 30.778 31.823 0.036 0.000 0.651 175 V HN 0.482 nan 8.190 nan 0.000 0.450 176 H N 0.473 119.536 119.070 -0.012 0.000 2.387 176 H HA -0.165 4.376 4.556 -0.025 0.000 0.299 176 H C 2.340 177.666 175.328 -0.004 0.000 1.090 176 H CA 2.140 58.179 56.048 -0.015 0.000 1.332 176 H CB -0.095 29.665 29.762 -0.004 0.000 1.386 176 H HN 0.526 nan 8.280 nan 0.000 0.516 177 Q N -0.165 119.616 119.800 -0.031 0.000 2.124 177 Q HA -0.053 4.272 4.340 -0.025 0.000 0.202 177 Q C 1.559 177.510 176.000 -0.082 0.000 0.977 177 Q CA 1.115 56.873 55.803 -0.076 0.000 0.850 177 Q CB 0.035 28.768 28.738 -0.007 0.000 0.901 177 Q HN 0.456 nan 8.270 nan 0.000 0.429 178 L N 0.736 121.930 121.223 -0.049 0.000 2.798 178 L HA 0.018 4.343 4.340 -0.025 0.000 0.254 178 L C 0.586 177.425 176.870 -0.052 0.000 1.176 178 L CA 0.098 54.912 54.840 -0.044 0.000 0.991 178 L CB 0.059 42.102 42.059 -0.026 0.000 1.225 178 L HN 0.080 nan 8.230 nan 0.000 0.420 179 S N -1.463 114.180 115.700 -0.094 0.000 2.787 179 S HA 0.143 4.598 4.470 -0.025 0.000 0.255 179 S C 1.266 175.809 174.600 -0.095 0.000 1.051 179 S CA -0.373 57.768 58.200 -0.098 0.000 1.124 179 S CB 0.542 63.656 63.200 -0.144 0.000 1.104 179 S HN 0.360 nan 8.310 nan 0.000 0.623 180 K N 1.035 121.383 120.400 -0.086 0.000 2.360 180 K HA 0.250 4.555 4.320 -0.025 0.000 0.196 180 K C 0.099 176.703 176.600 0.007 0.000 1.049 180 K CA 0.279 56.539 56.287 -0.044 0.000 1.049 180 K CB 0.577 33.038 32.500 -0.066 0.000 0.881 180 K HN 0.066 nan 8.250 nan 0.000 0.542 181 K N 1.280 121.679 120.400 -0.001 0.000 2.130 181 K HA 0.153 4.458 4.320 -0.025 0.000 0.268 181 K C 0.510 177.130 176.600 0.033 0.000 0.983 181 K CA -0.421 55.871 56.287 0.007 0.000 0.893 181 K CB 1.389 33.862 32.500 -0.044 0.000 1.066 181 K HN -0.084 nan 8.250 nan 0.000 0.450 182 E N 1.342 121.577 120.200 0.059 0.000 2.130 182 E HA -0.259 4.076 4.350 -0.025 0.000 0.196 182 E C 1.579 178.163 176.600 -0.028 0.000 0.998 182 E CA 1.695 58.131 56.400 0.061 0.000 0.806 182 E CB -0.100 29.696 29.700 0.159 0.000 0.738 182 E HN 0.720 nan 8.360 nan 0.000 0.459 183 A N 1.559 124.295 122.820 -0.139 0.000 1.831 183 A HA -0.119 4.186 4.320 -0.025 0.000 0.213 183 A C 2.450 179.994 177.584 -0.066 0.000 1.223 183 A CA 1.931 53.850 52.037 -0.197 0.000 0.604 183 A CB -0.931 17.791 19.000 -0.464 0.000 0.878 183 A HN 0.325 nan 8.150 nan 0.000 0.450 184 S N 0.249 115.898 115.700 -0.086 0.000 2.400 184 S HA -0.331 4.124 4.470 -0.025 0.000 0.234 184 S C 2.040 176.640 174.600 0.001 0.000 1.049 184 S CA 1.803 59.977 58.200 -0.044 0.000 1.039 184 S CB -0.627 62.542 63.200 -0.052 0.000 0.856 184 S HN 0.585 nan 8.310 nan 0.000 0.465 185 R N 0.745 121.269 120.500 0.041 0.000 2.070 185 R HA -0.145 4.180 4.340 -0.025 0.000 0.232 185 R C 2.104 178.429 176.300 0.041 0.000 1.138 185 R CA 1.985 58.121 56.100 0.060 0.000 0.936 185 R CB -0.497 29.889 30.300 0.142 0.000 0.839 185 R HN 0.564 nan 8.270 nan 0.000 0.429 186 H N -0.377 118.653 119.070 -0.065 0.000 2.559 186 H HA 0.104 4.645 4.556 -0.025 0.000 0.273 186 H C 1.509 176.809 175.328 -0.046 0.000 1.000 186 H CA 0.857 56.866 56.048 -0.065 0.000 1.195 186 H CB 0.075 29.790 29.762 -0.079 0.000 1.368 186 H HN 0.395 nan 8.280 nan 0.000 0.592 187 A N 0.477 123.331 122.820 0.058 0.000 1.843 187 A HA -0.032 4.273 4.320 -0.025 0.000 0.213 187 A C 2.259 179.843 177.584 0.001 0.000 1.202 187 A CA 1.040 53.086 52.037 0.015 0.000 0.607 187 A CB -0.474 18.520 19.000 -0.011 0.000 0.847 187 A HN 0.288 nan 8.150 nan 0.000 0.445 188 I N -0.587 119.979 120.570 -0.007 0.000 2.163 188 I HA -0.271 3.884 4.170 -0.025 0.000 0.240 188 I C 2.733 178.838 176.117 -0.019 0.000 1.081 188 I CA 1.804 63.096 61.300 -0.013 0.000 1.353 188 I CB -0.383 37.609 38.000 -0.015 0.000 1.054 188 I HN 0.470 nan 8.210 nan 0.000 0.407 189 M N 0.942 120.521 119.600 -0.036 0.000 2.143 189 M HA -0.265 4.200 4.480 -0.025 0.000 0.258 189 M C 2.020 178.297 176.300 -0.038 0.000 1.071 189 M CA 1.990 57.258 55.300 -0.054 0.000 1.088 189 M CB -0.162 32.361 32.600 -0.127 0.000 1.360 189 M HN 0.120 nan 8.290 nan 0.000 0.404 190 R N -0.628 119.856 120.500 -0.025 0.000 2.317 190 R HA 0.120 4.445 4.340 -0.025 0.000 0.208 190 R C 0.491 176.790 176.300 -0.002 0.000 0.914 190 R CA 0.027 56.122 56.100 -0.008 0.000 1.060 190 R CB 0.190 30.496 30.300 0.010 0.000 1.015 190 R HN 0.178 nan 8.270 nan 0.000 0.498 191 S N 1.399 117.096 115.700 -0.006 0.000 2.567 191 S HA 0.246 4.701 4.470 -0.025 0.000 0.262 191 S C -1.918 172.678 174.600 -0.005 0.000 1.237 191 S CA -2.028 56.169 58.200 -0.004 0.000 1.093 191 S CB 0.758 63.955 63.200 -0.005 0.000 1.095 191 S HN -0.083 nan 8.310 nan 0.000 0.489 192 P HA -0.216 nan 4.420 nan 0.000 0.218 192 P C 1.301 178.596 177.300 -0.007 0.000 1.152 192 P CA 1.408 64.505 63.100 -0.006 0.000 0.857 192 P CB 0.127 31.824 31.700 -0.005 0.000 0.787 193 Q N -1.906 117.890 119.800 -0.007 0.000 2.061 193 Q HA -0.170 4.155 4.340 -0.025 0.000 0.204 193 Q C 2.135 178.131 176.000 -0.006 0.000 0.984 193 Q CA 1.257 57.056 55.803 -0.007 0.000 0.846 193 Q CB -0.512 28.223 28.738 -0.006 0.000 0.902 193 Q HN 0.241 nan 8.270 nan 0.000 0.421 194 M N 0.170 119.766 119.600 -0.006 0.000 2.091 194 M HA -0.167 4.298 4.480 -0.025 0.000 0.259 194 M C 2.410 178.707 176.300 -0.005 0.000 1.076 194 M CA 1.269 56.566 55.300 -0.005 0.000 1.111 194 M CB -1.043 31.553 32.600 -0.006 0.000 1.291 194 M HN 0.111 nan 8.290 nan 0.000 0.417 195 V N -0.017 119.893 119.914 -0.006 0.000 2.277 195 V HA -0.361 3.744 4.120 -0.025 0.000 0.255 195 V C 2.662 178.753 176.094 -0.005 0.000 1.074 195 V CA 2.431 64.728 62.300 -0.004 0.000 1.058 195 V CB -1.360 30.462 31.823 -0.003 0.000 0.656 195 V HN 0.580 nan 8.190 nan 0.000 0.449 196 S N -0.611 115.084 115.700 -0.008 0.000 2.353 196 S HA -0.212 4.243 4.470 -0.025 0.000 0.222 196 S C 2.115 176.710 174.600 -0.008 0.000 1.035 196 S CA 1.838 60.031 58.200 -0.011 0.000 1.025 196 S CB -0.409 62.783 63.200 -0.014 0.000 0.902 196 S HN 0.674 nan 8.310 nan 0.000 0.440 197 A N 1.610 124.426 122.820 -0.006 0.000 1.858 197 A HA -0.006 4.299 4.320 -0.025 0.000 0.216 197 A C 2.138 179.720 177.584 -0.003 0.000 1.190 197 A CA 1.613 53.648 52.037 -0.005 0.000 0.617 197 A CB -0.975 18.023 19.000 -0.004 0.000 0.827 197 A HN 0.627 nan 8.150 nan 0.000 0.443 198 I N -0.262 120.307 120.570 -0.002 0.000 2.113 198 I HA -0.305 3.850 4.170 -0.025 0.000 0.242 198 I C 2.375 178.492 176.117 0.000 0.000 1.064 198 I CA 1.702 63.002 61.300 -0.000 0.000 1.320 198 I CB -0.576 37.425 38.000 0.001 0.000 1.028 198 I HN 0.179 nan 8.210 nan 0.000 0.406 199 V N 0.727 120.642 119.914 0.001 0.000 2.295 199 V HA -0.266 3.839 4.120 -0.025 0.000 0.246 199 V C 2.564 178.660 176.094 0.003 0.000 1.049 199 V CA 1.861 64.163 62.300 0.004 0.000 1.024 199 V CB -0.787 31.038 31.823 0.004 0.000 0.648 199 V HN 0.374 nan 8.190 nan 0.000 0.447 200 R N -0.337 120.162 120.500 -0.001 0.000 2.096 200 R HA -0.139 4.186 4.340 -0.025 0.000 0.235 200 R C 2.388 178.687 176.300 -0.001 0.000 1.127 200 R CA 1.886 57.984 56.100 -0.002 0.000 0.968 200 R CB -0.782 29.515 30.300 -0.005 0.000 0.861 200 R HN 0.526 nan 8.270 nan 0.000 0.440 201 T N 1.753 116.306 114.554 -0.001 0.000 2.595 201 T HA -0.231 4.103 4.350 -0.025 0.000 0.264 201 T C 1.776 176.475 174.700 -0.001 0.000 1.058 201 T CA 1.596 63.695 62.100 -0.002 0.000 1.166 201 T CB -0.277 68.590 68.868 -0.002 0.000 0.863 201 T HN 0.247 nan 8.240 nan 0.000 0.415 202 M N 1.398 120.998 119.600 -0.000 0.000 2.308 202 M HA -0.356 4.109 4.480 -0.025 0.000 0.257 202 M C 2.644 178.947 176.300 0.004 0.000 1.070 202 M CA 2.456 57.757 55.300 0.002 0.000 1.080 202 M CB -0.453 32.151 32.600 0.008 0.000 1.274 202 M HN 0.429 nan 8.290 nan 0.000 0.434 203 Q N -0.624 119.180 119.800 0.007 0.000 2.084 203 Q HA -0.187 4.138 4.340 -0.025 0.000 0.202 203 Q C 1.501 177.503 176.000 0.003 0.000 0.978 203 Q CA 1.691 57.498 55.803 0.007 0.000 0.844 203 Q CB -0.688 28.055 28.738 0.009 0.000 0.898 203 Q HN 0.623 nan 8.270 nan 0.000 0.426 204 N N 1.093 119.793 118.700 0.000 0.000 2.083 204 N HA -0.085 4.640 4.740 -0.025 0.000 0.190 204 N C 0.680 176.188 175.510 -0.003 0.000 1.047 204 N CA 1.489 54.538 53.050 -0.002 0.000 0.845 204 N CB -0.729 37.757 38.487 -0.002 0.000 1.025 204 N HN 0.273 nan 8.380 nan 0.000 0.428 205 T N 2.172 116.724 114.554 -0.004 0.000 2.765 205 T HA -0.005 4.330 4.350 -0.025 0.000 0.284 205 T C 0.948 175.643 174.700 -0.008 0.000 0.946 205 T CA -0.294 61.803 62.100 -0.006 0.000 1.185 205 T CB -0.258 68.606 68.868 -0.007 0.000 0.887 205 T HN 0.339 nan 8.240 nan 0.000 0.532 206 N N 3.438 122.132 118.700 -0.009 0.000 2.467 206 N HA -0.020 4.705 4.740 -0.025 0.000 0.184 206 N C 0.274 175.774 175.510 -0.016 0.000 1.106 206 N CA -0.080 52.962 53.050 -0.012 0.000 0.892 206 N CB -0.152 38.328 38.487 -0.012 0.000 0.969 206 N HN 0.655 nan 8.380 nan 0.000 0.454 207 D N 0.847 121.238 120.400 -0.015 0.000 2.554 207 D HA -0.092 4.533 4.640 -0.025 0.000 0.251 207 D C 0.802 177.089 176.300 -0.022 0.000 1.213 207 D CA 0.008 53.998 54.000 -0.017 0.000 0.900 207 D CB 0.689 41.481 40.800 -0.014 0.000 1.135 207 D HN 0.216 nan 8.370 nan 0.000 0.522 208 V N 1.502 121.400 119.914 -0.027 0.000 3.264 208 V HA 0.078 4.183 4.120 -0.025 0.000 0.343 208 V C 0.837 176.910 176.094 -0.036 0.000 1.235 208 V CA 0.846 63.125 62.300 -0.035 0.000 1.439 208 V CB -1.023 30.775 31.823 -0.042 0.000 1.119 208 V HN 0.729 nan 8.190 nan 0.000 0.423 209 E N -0.586 119.596 120.200 -0.029 0.000 2.701 209 E HA 0.025 4.360 4.350 -0.025 0.000 0.201 209 E C 1.702 178.284 176.600 -0.030 0.000 0.961 209 E CA 0.685 57.068 56.400 -0.029 0.000 1.659 209 E CB 0.484 30.171 29.700 -0.022 0.000 1.970 209 E HN 0.520 nan 8.360 nan 0.000 1.021 210 T N 0.379 114.918 114.554 -0.025 0.000 3.035 210 T HA 0.176 4.511 4.350 -0.025 0.000 0.259 210 T C 1.664 176.348 174.700 -0.027 0.000 1.078 210 T CA 0.754 62.840 62.100 -0.025 0.000 1.132 210 T CB 0.186 69.045 68.868 -0.015 0.000 0.900 210 T HN 0.234 nan 8.240 nan 0.000 0.480 211 A N 2.689 125.496 122.820 -0.021 0.000 1.978 211 A HA -0.173 4.132 4.320 -0.025 0.000 0.220 211 A C 2.313 179.896 177.584 -0.001 0.000 1.170 211 A CA 1.718 53.748 52.037 -0.011 0.000 0.636 211 A CB -0.430 18.562 19.000 -0.013 0.000 0.810 211 A HN 0.658 nan 8.150 nan 0.000 0.448 212 R N -1.378 119.117 120.500 -0.008 0.000 2.140 212 R HA 0.023 4.348 4.340 -0.025 0.000 0.213 212 R C 1.969 178.221 176.300 -0.079 0.000 1.059 212 R CA 1.228 57.350 56.100 0.038 0.000 1.000 212 R CB -1.084 29.235 30.300 0.032 0.000 0.910 212 R HN 0.363 nan 8.270 nan 0.000 0.455 213 C N 1.721 120.931 119.300 -0.151 0.000 2.432 213 C HA -0.078 4.367 4.460 -0.025 0.000 0.277 213 C C 2.985 177.867 174.990 -0.181 0.000 1.249 213 C CA 1.394 60.241 59.018 -0.285 0.000 1.725 213 C CB -0.862 26.803 27.740 -0.125 0.000 2.028 213 C HN 0.740 nan 8.230 nan 0.000 0.477 214 T N 0.842 115.347 114.554 -0.081 0.000 2.668 214 T HA -0.077 4.258 4.350 -0.025 0.000 0.262 214 T C 2.080 176.742 174.700 -0.063 0.000 1.045 214 T CA 1.626 63.702 62.100 -0.041 0.000 1.152 214 T CB -0.789 68.067 68.868 -0.018 0.000 0.864 214 T HN 0.489 nan 8.240 nan 0.000 0.419 215 A N 1.985 124.770 122.820 -0.059 0.000 1.948 215 A HA 0.123 4.428 4.320 -0.025 0.000 0.220 215 A C 2.718 180.108 177.584 -0.324 0.000 1.177 215 A CA 1.945 53.945 52.037 -0.062 0.000 0.636 215 A CB -1.691 17.358 19.000 0.082 0.000 0.815 215 A HN 0.680 nan 8.150 nan 0.000 0.449 216 G N -1.740 106.744 108.800 -0.527 0.000 2.471 216 G HA2 -0.033 3.912 3.960 -0.025 0.000 0.219 216 G HA3 -0.033 3.912 3.960 -0.025 0.000 0.219 216 G C 1.456 176.240 174.900 -0.193 0.000 1.125 216 G CA 1.530 46.080 45.100 -0.918 0.000 0.775 216 G HN 0.458 nan 8.290 nan 0.000 0.548 217 T N 1.436 115.976 114.554 -0.023 0.000 2.698 217 T HA 0.003 4.338 4.350 -0.025 0.000 0.260 217 T C 2.437 177.103 174.700 -0.057 0.000 1.044 217 T CA 0.737 62.858 62.100 0.035 0.000 1.149 217 T CB -0.259 68.637 68.868 0.046 0.000 0.864 217 T HN 0.156 nan 8.240 nan 0.000 0.419 218 L N 0.693 121.884 121.223 -0.052 0.000 2.043 218 L HA -0.206 4.119 4.340 -0.025 0.000 0.212 218 L C 2.674 179.512 176.870 -0.054 0.000 1.075 218 L CA 1.662 56.481 54.840 -0.034 0.000 0.752 218 L CB -0.841 41.220 42.059 0.004 0.000 0.891 218 L HN 0.478 nan 8.230 nan 0.000 0.432 219 H N 0.709 119.673 119.070 -0.176 0.000 2.387 219 H HA -0.148 4.392 4.556 -0.025 0.000 0.299 219 H C 1.815 176.914 175.328 -0.383 0.000 1.090 219 H CA 1.897 57.839 56.048 -0.177 0.000 1.332 219 H CB 0.103 29.758 29.762 -0.178 0.000 1.386 219 H HN 0.504 nan 8.280 nan 0.000 0.516 220 N N -0.008 118.397 118.700 -0.492 0.000 2.331 220 N HA -0.060 4.665 4.740 -0.025 0.000 0.180 220 N C 2.014 177.223 175.510 -0.502 0.000 1.019 220 N CA 0.453 53.118 53.050 -0.641 0.000 0.881 220 N CB 0.234 38.553 38.487 -0.279 0.000 0.972 220 N HN 0.294 nan 8.380 nan 0.000 0.435 221 L N 0.415 121.472 121.223 -0.276 0.000 2.179 221 L HA -0.033 4.292 4.340 -0.025 0.000 0.208 221 L C 2.247 179.047 176.870 -0.117 0.000 1.096 221 L CA 0.638 55.405 54.840 -0.122 0.000 0.779 221 L CB -0.456 41.563 42.059 -0.066 0.000 0.922 221 L HN 0.208 nan 8.230 nan 0.000 0.443 222 S N -1.821 113.782 115.700 -0.161 0.000 2.584 222 S HA -0.159 4.296 4.470 -0.025 0.000 0.240 222 S C 1.323 175.937 174.600 0.023 0.000 0.975 222 S CA 0.605 58.781 58.200 -0.040 0.000 0.949 222 S CB -0.840 62.373 63.200 0.021 0.000 0.761 222 S HN 0.563 nan 8.310 nan 0.000 0.536 223 H N 0.109 119.008 119.070 -0.286 0.000 2.539 223 H HA 0.227 4.768 4.556 -0.025 0.000 0.267 223 H C -0.136 174.854 175.328 -0.563 0.000 0.982 223 H CA -0.032 55.764 56.048 -0.420 0.000 1.146 223 H CB 0.236 29.672 29.762 -0.544 0.000 1.382 223 H HN 0.473 nan 8.280 nan 0.000 0.577 224 H N -0.385 118.709 119.070 0.041 0.000 2.679 224 H HA 0.233 4.774 4.556 -0.025 0.000 0.360 224 H C 0.628 175.942 175.328 -0.024 0.000 1.105 224 H CA -0.595 55.444 56.048 -0.015 0.000 1.196 224 H CB 1.574 31.282 29.762 -0.089 0.000 1.636 224 H HN 0.135 nan 8.280 nan 0.000 0.531 225 R N 1.047 121.607 120.500 0.100 0.000 2.103 225 R HA -0.186 4.139 4.340 -0.025 0.000 0.242 225 R C 1.138 177.465 176.300 0.046 0.000 1.142 225 R CA 1.943 58.075 56.100 0.052 0.000 0.960 225 R CB 0.098 30.417 30.300 0.032 0.000 0.858 225 R HN 0.594 nan 8.270 nan 0.000 0.439 226 E N -0.175 120.043 120.200 0.031 0.000 2.118 226 E HA -0.129 4.206 4.350 -0.025 0.000 0.195 226 E C 2.049 178.652 176.600 0.005 0.000 0.992 226 E CA 1.351 57.752 56.400 0.001 0.000 0.804 226 E CB -0.470 29.197 29.700 -0.056 0.000 0.741 226 E HN 0.495 nan 8.360 nan 0.000 0.458 227 G N 1.001 109.808 108.800 0.012 0.000 2.414 227 G HA2 -0.214 3.731 3.960 -0.025 0.000 0.215 227 G HA3 -0.214 3.731 3.960 -0.025 0.000 0.215 227 G C 1.552 176.475 174.900 0.039 0.000 1.188 227 G CA 0.710 45.816 45.100 0.012 0.000 0.783 227 G HN 0.136 nan 8.290 nan 0.000 0.537 228 L N -0.256 120.999 121.223 0.052 0.000 1.990 228 L HA -0.128 4.197 4.340 -0.025 0.000 0.213 228 L C 2.749 179.682 176.870 0.104 0.000 1.072 228 L CA 1.028 55.909 54.840 0.068 0.000 0.755 228 L CB -0.590 41.504 42.059 0.058 0.000 0.889 228 L HN 0.254 nan 8.230 nan 0.000 0.432 229 L N 0.220 121.500 121.223 0.095 0.000 2.012 229 L HA -0.173 4.152 4.340 -0.025 0.000 0.210 229 L C 2.652 179.615 176.870 0.156 0.000 1.073 229 L CA 2.117 57.044 54.840 0.145 0.000 0.748 229 L CB -0.850 41.268 42.059 0.097 0.000 0.891 229 L HN 0.167 nan 8.230 nan 0.000 0.431 230 A N -0.168 122.704 122.820 0.086 0.000 1.883 230 A HA -0.219 4.086 4.320 -0.025 0.000 0.217 230 A C 2.285 179.906 177.584 0.063 0.000 1.186 230 A CA 2.294 54.364 52.037 0.055 0.000 0.624 230 A CB -0.976 18.037 19.000 0.021 0.000 0.822 230 A HN 0.551 nan 8.150 nan 0.000 0.444 231 I N -1.954 118.665 120.570 0.082 0.000 2.286 231 I HA -0.216 3.938 4.170 -0.025 0.000 0.248 231 I C 2.351 178.546 176.117 0.130 0.000 1.115 231 I CA 1.447 62.798 61.300 0.085 0.000 1.392 231 I CB -0.369 37.684 38.000 0.088 0.000 1.065 231 I HN 0.425 nan 8.210 nan 0.000 0.418 232 F N 2.246 122.204 119.950 0.013 0.000 2.134 232 F HA -0.191 4.322 4.527 -0.024 0.000 0.299 232 F C 2.330 178.137 175.800 0.012 0.000 1.097 232 F CA 1.653 59.662 58.000 0.015 0.000 1.264 232 F CB -0.311 38.699 39.000 0.017 0.000 1.001 232 F HN -0.134 nan 8.300 nan 0.000 0.479 233 K N -0.149 120.183 120.400 -0.113 0.000 2.097 233 K HA -0.108 4.196 4.320 -0.025 0.000 0.205 233 K C 2.154 178.654 176.600 -0.167 0.000 1.050 233 K CA 1.481 57.642 56.287 -0.209 0.000 0.938 233 K CB -0.412 32.051 32.500 -0.061 0.000 0.718 233 K HN 0.361 nan 8.250 nan 0.000 0.442 234 S N -0.146 115.502 115.700 -0.087 0.000 2.561 234 S HA 0.049 4.504 4.470 -0.025 0.000 0.225 234 S C 1.245 175.802 174.600 -0.071 0.000 0.977 234 S CA 0.407 58.570 58.200 -0.062 0.000 0.926 234 S CB -0.059 63.126 63.200 -0.026 0.000 0.769 234 S HN 0.418 nan 8.310 nan 0.000 0.533 235 G N 0.279 109.014 108.800 -0.108 0.000 2.212 235 G HA2 -0.131 3.814 3.960 -0.025 0.000 0.255 235 G HA3 -0.131 3.814 3.960 -0.025 0.000 0.255 235 G C 0.713 175.602 174.900 -0.019 0.000 1.062 235 G CA 0.084 45.133 45.100 -0.086 0.000 0.815 235 G HN 0.909 nan 8.290 nan 0.000 0.497 236 G N -0.203 108.604 108.800 0.012 0.000 2.448 236 G HA2 0.078 4.023 3.960 -0.025 0.000 0.218 236 G HA3 0.078 4.023 3.960 -0.025 0.000 0.218 236 G C 1.794 176.732 174.900 0.064 0.000 1.135 236 G CA 1.130 46.255 45.100 0.041 0.000 0.784 236 G HN 0.612 nan 8.290 nan 0.000 0.543 237 I N 1.426 122.051 120.570 0.093 0.000 2.127 237 I HA -0.142 4.013 4.170 -0.025 0.000 0.241 237 I C -0.160 176.002 176.117 0.076 0.000 1.075 237 I CA 1.272 62.637 61.300 0.109 0.000 1.334 237 I CB -0.716 37.383 38.000 0.166 0.000 1.040 237 I HN 0.143 nan 8.210 nan 0.000 0.405 238 P HA -0.140 nan 4.420 nan 0.000 0.220 238 P C 1.276 178.599 177.300 0.037 0.000 1.148 238 P CA 1.581 64.705 63.100 0.041 0.000 0.803 238 P CB 0.012 31.726 31.700 0.023 0.000 0.782 239 A N -0.441 122.401 122.820 0.036 0.000 1.840 239 A HA -0.121 4.184 4.320 -0.025 0.000 0.214 239 A C 2.149 179.760 177.584 0.046 0.000 1.198 239 A CA 1.213 53.270 52.037 0.034 0.000 0.608 239 A CB -1.603 17.413 19.000 0.027 0.000 0.839 239 A HN 0.068 nan 8.150 nan 0.000 0.443 240 L N -0.159 121.100 121.223 0.060 0.000 2.081 240 L HA -0.211 4.114 4.340 -0.025 0.000 0.212 240 L C 2.451 179.368 176.870 0.077 0.000 1.080 240 L CA 1.180 56.066 54.840 0.077 0.000 0.754 240 L CB -0.612 41.503 42.059 0.094 0.000 0.893 240 L HN 0.251 nan 8.230 nan 0.000 0.433 241 V N -0.173 119.782 119.914 0.069 0.000 2.515 241 V HA -0.273 3.832 4.120 -0.025 0.000 0.250 241 V C 2.539 178.666 176.094 0.054 0.000 1.058 241 V CA 1.740 64.079 62.300 0.064 0.000 1.064 241 V CB -0.490 31.367 31.823 0.057 0.000 0.675 241 V HN 0.447 nan 8.190 nan 0.000 0.461 242 K N -0.286 120.141 120.400 0.045 0.000 2.097 242 K HA -0.133 4.172 4.320 -0.025 0.000 0.205 242 K C 2.023 178.644 176.600 0.035 0.000 1.050 242 K CA 1.238 57.545 56.287 0.034 0.000 0.938 242 K CB -0.068 32.447 32.500 0.026 0.000 0.718 242 K HN 0.244 nan 8.250 nan 0.000 0.442 243 M N 1.029 120.654 119.600 0.043 0.000 2.630 243 M HA -0.045 4.420 4.480 -0.025 0.000 0.254 243 M C 1.617 177.946 176.300 0.049 0.000 1.092 243 M CA 0.912 56.237 55.300 0.041 0.000 1.087 243 M CB -0.449 32.182 32.600 0.052 0.000 1.453 243 M HN 0.190 nan 8.290 nan 0.000 0.509 244 L N -0.792 120.471 121.223 0.067 0.000 2.456 244 L HA -0.052 4.273 4.340 -0.025 0.000 0.224 244 L C 2.099 179.006 176.870 0.060 0.000 1.148 244 L CA 0.628 55.522 54.840 0.090 0.000 0.825 244 L CB -0.763 41.360 42.059 0.107 0.000 0.937 244 L HN 0.357 nan 8.230 nan 0.000 0.450 245 G N -1.324 107.497 108.800 0.035 0.000 3.088 245 G HA2 -0.065 3.879 3.960 -0.025 0.000 0.217 245 G HA3 -0.065 3.879 3.960 -0.025 0.000 0.217 245 G C 0.652 175.547 174.900 -0.009 0.000 1.159 245 G CA -0.084 45.026 45.100 0.016 0.000 0.760 245 G HN 0.204 nan 8.290 nan 0.000 0.550 246 S N 1.591 117.280 115.700 -0.019 0.000 2.533 246 S HA 0.251 4.706 4.470 -0.025 0.000 0.282 246 S C -0.658 173.890 174.600 -0.086 0.000 1.304 246 S CA -0.888 57.283 58.200 -0.048 0.000 1.063 246 S CB 1.381 64.550 63.200 -0.051 0.000 0.881 246 S HN 0.144 nan 8.310 nan 0.000 0.493 247 P HA 0.119 nan 4.420 nan 0.000 0.249 247 P C -0.420 176.792 177.300 -0.146 0.000 1.229 247 P CA 0.107 63.144 63.100 -0.104 0.000 0.788 247 P CB 0.023 31.679 31.700 -0.072 0.000 1.072 248 V N 1.814 121.630 119.914 -0.165 0.000 2.270 248 V HA 0.078 4.183 4.120 -0.025 0.000 0.263 248 V C 1.240 177.125 176.094 -0.349 0.000 1.066 248 V CA -0.161 62.015 62.300 -0.207 0.000 0.857 248 V CB 0.309 32.041 31.823 -0.150 0.000 1.099 248 V HN -0.100 nan 8.190 nan 0.000 0.476 249 D N 2.923 123.033 120.400 -0.482 0.000 2.242 249 D HA -0.263 4.362 4.640 -0.025 0.000 0.190 249 D C 2.310 177.869 176.300 -1.236 0.000 1.012 249 D CA 2.344 55.766 54.000 -0.963 0.000 0.875 249 D CB -0.050 40.197 40.800 -0.922 0.000 0.922 249 D HN 0.726 nan 8.370 nan 0.000 0.448 250 S N -0.462 114.804 115.700 -0.722 0.000 2.399 250 S HA -0.131 4.324 4.470 -0.025 0.000 0.231 250 S C 2.212 176.544 174.600 -0.447 0.000 1.022 250 S CA 1.160 59.013 58.200 -0.577 0.000 0.983 250 S CB -0.575 62.407 63.200 -0.364 0.000 0.803 250 S HN 0.165 nan 8.310 nan 0.000 0.480 251 V N 1.746 121.501 119.914 -0.266 0.000 2.346 251 V HA 0.002 4.107 4.120 -0.025 0.000 0.244 251 V C 2.465 178.537 176.094 -0.036 0.000 1.037 251 V CA 1.427 63.695 62.300 -0.053 0.000 1.029 251 V CB -0.780 31.017 31.823 -0.044 0.000 0.663 251 V HN 0.450 nan 8.190 nan 0.000 0.454 252 L N -0.758 120.360 121.223 -0.174 0.000 1.990 252 L HA -0.216 4.109 4.340 -0.025 0.000 0.213 252 L C 2.534 179.511 176.870 0.177 0.000 1.072 252 L CA 2.070 56.871 54.840 -0.065 0.000 0.755 252 L CB -0.386 41.514 42.059 -0.264 0.000 0.889 252 L HN 0.259 nan 8.230 nan 0.000 0.432 253 F N -0.934 118.971 119.950 -0.076 0.000 2.171 253 F HA -0.245 4.267 4.527 -0.025 0.000 0.300 253 F C 2.419 178.223 175.800 0.006 0.000 1.090 253 F CA 0.715 58.696 58.000 -0.033 0.000 1.293 253 F CB -1.510 37.387 39.000 -0.171 0.000 1.013 253 F HN 0.147 nan 8.300 nan 0.000 0.486 254 Y N -0.266 120.102 120.300 0.114 0.000 2.293 254 Y HA -0.147 4.388 4.550 -0.025 0.000 0.291 254 Y C 2.499 178.442 175.900 0.072 0.000 1.137 254 Y CA 0.422 58.519 58.100 -0.005 0.000 1.202 254 Y CB -0.206 38.248 38.460 -0.010 0.000 0.990 254 Y HN 0.040 nan 8.280 nan 0.000 0.537 255 A N 0.080 123.062 122.820 0.270 0.000 1.840 255 A HA -0.192 4.113 4.320 -0.025 0.000 0.214 255 A C 2.023 179.734 177.584 0.212 0.000 1.198 255 A CA 1.500 53.663 52.037 0.209 0.000 0.608 255 A CB -0.900 18.199 19.000 0.166 0.000 0.839 255 A HN 0.404 nan 8.150 nan 0.000 0.443 256 I N -0.204 120.513 120.570 0.246 0.000 2.361 256 I HA -0.153 4.002 4.170 -0.025 0.000 0.251 256 I C 2.282 178.506 176.117 0.179 0.000 1.133 256 I CA 2.056 63.474 61.300 0.197 0.000 1.413 256 I CB -0.319 37.818 38.000 0.229 0.000 1.073 256 I HN 0.287 nan 8.210 nan 0.000 0.424 257 T N -0.546 114.143 114.554 0.226 0.000 2.896 257 T HA -0.094 4.241 4.350 -0.025 0.000 0.263 257 T C 1.762 176.671 174.700 0.347 0.000 1.050 257 T CA 1.824 64.089 62.100 0.275 0.000 1.140 257 T CB -0.225 68.787 68.868 0.240 0.000 0.877 257 T HN 0.375 nan 8.240 nan 0.000 0.457 258 T N 2.450 117.204 114.554 0.334 0.000 2.770 258 T HA 0.115 4.450 4.350 -0.025 0.000 0.263 258 T C 1.985 176.802 174.700 0.195 0.000 1.039 258 T CA 0.729 63.004 62.100 0.292 0.000 1.142 258 T CB -0.390 68.625 68.868 0.245 0.000 0.868 258 T HN 0.228 nan 8.240 nan 0.000 0.435 259 L N 0.256 121.584 121.223 0.176 0.000 2.079 259 L HA -0.163 4.162 4.340 -0.025 0.000 0.210 259 L C 2.585 179.538 176.870 0.139 0.000 1.081 259 L CA 1.501 56.421 54.840 0.133 0.000 0.752 259 L CB -0.662 41.467 42.059 0.117 0.000 0.896 259 L HN 0.491 nan 8.230 nan 0.000 0.433 260 H N 0.176 119.269 119.070 0.040 0.000 2.353 260 H HA -0.146 4.395 4.556 -0.025 0.000 0.300 260 H C 1.980 177.286 175.328 -0.037 0.000 1.090 260 H CA 1.317 57.361 56.048 -0.008 0.000 1.327 260 H CB 0.393 30.158 29.762 0.005 0.000 1.383 260 H HN 0.359 nan 8.280 nan 0.000 0.508 261 N N 0.762 119.460 118.700 -0.003 0.000 2.142 261 N HA -0.120 4.605 4.740 -0.025 0.000 0.186 261 N C 2.241 177.699 175.510 -0.088 0.000 1.023 261 N CA 0.727 53.733 53.050 -0.073 0.000 0.852 261 N CB -0.266 38.276 38.487 0.091 0.000 0.998 261 N HN 0.386 nan 8.380 nan 0.000 0.424 262 L N 0.548 121.761 121.223 -0.016 0.000 2.056 262 L HA -0.057 4.268 4.340 -0.025 0.000 0.207 262 L C 2.052 178.864 176.870 -0.097 0.000 1.078 262 L CA 0.759 55.580 54.840 -0.031 0.000 0.749 262 L CB -0.334 41.738 42.059 0.021 0.000 0.901 262 L HN 0.101 nan 8.230 nan 0.000 0.433 263 L N -0.757 120.415 121.223 -0.085 0.000 2.478 263 L HA -0.115 4.210 4.340 -0.025 0.000 0.223 263 L C 2.124 178.882 176.870 -0.187 0.000 1.140 263 L CA 0.542 55.325 54.840 -0.095 0.000 0.842 263 L CB -0.071 41.977 42.059 -0.019 0.000 0.953 263 L HN 0.305 nan 8.230 nan 0.000 0.452 264 L N -1.486 119.524 121.223 -0.355 0.000 2.408 264 L HA 0.035 4.360 4.340 -0.025 0.000 0.215 264 L C 1.515 177.940 176.870 -0.743 0.000 1.081 264 L CA 0.394 54.849 54.840 -0.642 0.000 0.840 264 L CB 0.093 41.535 42.059 -1.027 0.000 1.002 264 L HN 0.365 nan 8.230 nan 0.000 0.468 265 H N -2.493 116.521 119.070 -0.092 0.000 3.540 265 H HA 0.260 4.801 4.556 -0.025 0.000 0.259 265 H C -0.345 174.932 175.328 -0.085 0.000 1.197 265 H CA -0.120 55.882 56.048 -0.077 0.000 1.136 265 H CB 0.787 30.510 29.762 -0.064 0.000 1.605 265 H HN 0.065 nan 8.280 nan 0.000 0.657 266 Q N 2.736 122.503 119.800 -0.054 0.000 2.357 266 Q HA 0.180 4.505 4.340 -0.025 0.000 0.266 266 Q C -0.425 175.437 176.000 -0.231 0.000 1.021 266 Q CA -0.584 55.135 55.803 -0.140 0.000 0.784 266 Q CB 1.058 29.686 28.738 -0.183 0.000 1.243 266 Q HN 0.438 nan 8.270 nan 0.000 0.465 267 E N 2.561 122.641 120.200 -0.200 0.000 2.376 267 E HA 0.380 4.715 4.350 -0.025 0.000 0.266 267 E C 0.412 176.803 176.600 -0.349 0.000 1.009 267 E CA 0.343 56.629 56.400 -0.190 0.000 0.902 267 E CB 0.457 30.096 29.700 -0.101 0.000 0.972 267 E HN 0.832 nan 8.360 nan 0.000 0.439 268 G N 2.499 111.142 108.800 -0.261 0.000 2.232 268 G HA2 -0.373 3.572 3.960 -0.025 0.000 0.226 268 G HA3 -0.373 3.572 3.960 -0.025 0.000 0.226 268 G C 1.026 175.764 174.900 -0.270 0.000 0.996 268 G CA 0.307 45.255 45.100 -0.254 0.000 0.626 268 G HN 0.868 nan 8.290 nan 0.000 0.509 269 A N 0.672 123.273 122.820 -0.365 0.000 1.902 269 A HA 0.071 4.376 4.320 -0.025 0.000 0.217 269 A C 2.167 179.730 177.584 -0.034 0.000 1.181 269 A CA 2.335 54.265 52.037 -0.179 0.000 0.623 269 A CB -0.492 18.408 19.000 -0.167 0.000 0.818 269 A HN 0.541 nan 8.150 nan 0.000 0.443 270 K N -0.860 119.514 120.400 -0.044 0.000 2.044 270 K HA -0.190 4.115 4.320 -0.025 0.000 0.210 270 K C 2.150 178.763 176.600 0.022 0.000 1.049 270 K CA 1.913 58.196 56.287 -0.006 0.000 0.927 270 K CB -0.369 32.125 32.500 -0.009 0.000 0.713 270 K HN 0.522 nan 8.250 nan 0.000 0.443 271 M N 0.335 119.954 119.600 0.032 0.000 2.065 271 M HA -0.195 4.270 4.480 -0.025 0.000 0.259 271 M C 2.544 178.892 176.300 0.080 0.000 1.069 271 M CA 1.750 57.084 55.300 0.056 0.000 1.110 271 M CB -0.513 32.131 32.600 0.073 0.000 1.328 271 M HN 0.261 nan 8.290 nan 0.000 0.405 272 A N 0.012 122.910 122.820 0.131 0.000 1.873 272 A HA -0.151 4.154 4.320 -0.025 0.000 0.218 272 A C 2.224 179.867 177.584 0.098 0.000 1.193 272 A CA 2.067 54.195 52.037 0.151 0.000 0.629 272 A CB -1.200 17.971 19.000 0.285 0.000 0.826 272 A HN 0.320 nan 8.150 nan 0.000 0.447 273 V N 0.061 120.026 119.914 0.084 0.000 2.287 273 V HA -0.308 3.797 4.120 -0.025 0.000 0.248 273 V C 2.679 178.801 176.094 0.047 0.000 1.053 273 V CA 2.368 64.705 62.300 0.062 0.000 1.027 273 V CB -0.868 30.983 31.823 0.048 0.000 0.646 273 V HN 0.531 nan 8.190 nan 0.000 0.447 274 R N -0.411 120.113 120.500 0.040 0.000 2.073 274 R HA -0.122 4.203 4.340 -0.025 0.000 0.234 274 R C 2.316 178.635 176.300 0.032 0.000 1.134 274 R CA 1.517 57.635 56.100 0.031 0.000 0.952 274 R CB -0.540 29.775 30.300 0.025 0.000 0.850 274 R HN 0.423 nan 8.270 nan 0.000 0.433 275 L N 0.264 121.511 121.223 0.040 0.000 1.989 275 L HA -0.190 4.135 4.340 -0.025 0.000 0.211 275 L C 2.582 179.471 176.870 0.033 0.000 1.071 275 L CA 1.502 56.363 54.840 0.036 0.000 0.749 275 L CB -0.621 41.465 42.059 0.044 0.000 0.890 275 L HN 0.244 nan 8.230 nan 0.000 0.431 276 A N -0.366 122.478 122.820 0.039 0.000 2.216 276 A HA 0.165 4.470 4.320 -0.025 0.000 0.214 276 A C 1.638 179.241 177.584 0.031 0.000 1.160 276 A CA 0.879 52.938 52.037 0.035 0.000 0.725 276 A CB -0.715 18.311 19.000 0.044 0.000 0.784 276 A HN 0.624 nan 8.150 nan 0.000 0.472 277 G N -2.019 106.799 108.800 0.030 0.000 2.204 277 G HA2 -0.078 3.867 3.960 -0.025 0.000 0.244 277 G HA3 -0.078 3.867 3.960 -0.025 0.000 0.244 277 G C 0.983 175.901 174.900 0.029 0.000 1.062 277 G CA 0.457 45.573 45.100 0.026 0.000 0.798 277 G HN 1.203 nan 8.290 nan 0.000 0.496 278 G N -0.380 108.440 108.800 0.032 0.000 2.448 278 G HA2 0.123 4.068 3.960 -0.025 0.000 0.218 278 G HA3 0.123 4.068 3.960 -0.025 0.000 0.218 278 G C 1.824 176.739 174.900 0.025 0.000 1.135 278 G CA 1.130 46.251 45.100 0.034 0.000 0.784 278 G HN 0.595 nan 8.290 nan 0.000 0.543 279 L N -0.046 121.189 121.223 0.019 0.000 1.955 279 L HA -0.201 4.124 4.340 -0.025 0.000 0.213 279 L C 2.934 179.811 176.870 0.013 0.000 1.072 279 L CA 1.890 56.736 54.840 0.011 0.000 0.755 279 L CB -0.540 41.524 42.059 0.009 0.000 0.888 279 L HN 0.276 nan 8.230 nan 0.000 0.432 280 Q N 0.397 120.207 119.800 0.017 0.000 2.181 280 Q HA -0.249 4.076 4.340 -0.025 0.000 0.205 280 Q C 1.986 178.001 176.000 0.026 0.000 0.980 280 Q CA 1.784 57.598 55.803 0.019 0.000 0.862 280 Q CB -0.086 28.663 28.738 0.019 0.000 0.905 280 Q HN 0.118 nan 8.270 nan 0.000 0.429 281 K N -0.274 120.145 120.400 0.030 0.000 2.002 281 K HA -0.015 4.290 4.320 -0.025 0.000 0.209 281 K C 1.951 178.580 176.600 0.049 0.000 1.048 281 K CA 1.954 58.267 56.287 0.043 0.000 0.930 281 K CB -0.236 32.292 32.500 0.048 0.000 0.714 281 K HN 0.333 nan 8.250 nan 0.000 0.438 282 M N -0.363 119.257 119.600 0.033 0.000 2.159 282 M HA -0.166 4.299 4.480 -0.025 0.000 0.263 282 M C 1.955 178.260 176.300 0.009 0.000 1.063 282 M CA 1.171 56.479 55.300 0.013 0.000 1.110 282 M CB -0.189 32.398 32.600 -0.022 0.000 1.374 282 M HN -0.074 nan 8.290 nan 0.000 0.411 283 V N 0.342 120.263 119.914 0.012 0.000 2.427 283 V HA -0.201 3.904 4.120 -0.025 0.000 0.248 283 V C 2.640 178.754 176.094 0.033 0.000 1.051 283 V CA 1.857 64.165 62.300 0.014 0.000 1.048 283 V CB -1.067 30.764 31.823 0.012 0.000 0.666 283 V HN 0.505 nan 8.190 nan 0.000 0.456 284 A N -0.164 122.681 122.820 0.043 0.000 1.930 284 A HA -0.103 4.202 4.320 -0.025 0.000 0.217 284 A C 2.085 179.717 177.584 0.079 0.000 1.175 284 A CA 1.436 53.505 52.037 0.053 0.000 0.627 284 A CB -0.495 18.534 19.000 0.049 0.000 0.815 284 A HN 0.517 nan 8.150 nan 0.000 0.443 285 L N -0.196 121.091 121.223 0.107 0.000 2.551 285 L HA -0.009 4.316 4.340 -0.025 0.000 0.228 285 L C 1.437 178.424 176.870 0.195 0.000 1.153 285 L CA 0.119 55.075 54.840 0.193 0.000 0.851 285 L CB -0.367 41.875 42.059 0.306 0.000 0.959 285 L HN 0.355 nan 8.230 nan 0.000 0.451 286 L N -0.085 121.199 121.223 0.101 0.000 2.675 286 L HA -0.055 4.269 4.340 -0.025 0.000 0.238 286 L C 1.403 178.340 176.870 0.112 0.000 1.155 286 L CA 0.222 55.109 54.840 0.078 0.000 0.881 286 L CB -0.480 41.602 42.059 0.038 0.000 1.008 286 L HN 0.371 nan 8.230 nan 0.000 0.443 287 N N -0.703 118.070 118.700 0.122 0.000 2.280 287 N HA 0.039 4.764 4.740 -0.025 0.000 0.192 287 N C 0.540 176.128 175.510 0.130 0.000 1.109 287 N CA 0.212 53.330 53.050 0.114 0.000 0.855 287 N CB 0.494 39.031 38.487 0.083 0.000 0.974 287 N HN 0.199 nan 8.380 nan 0.000 0.482 288 K N 0.622 121.120 120.400 0.165 0.000 2.118 288 K HA 0.149 4.454 4.320 -0.025 0.000 0.240 288 K C 1.423 178.117 176.600 0.156 0.000 1.035 288 K CA 0.216 56.593 56.287 0.152 0.000 0.899 288 K CB 0.392 33.015 32.500 0.204 0.000 1.085 288 K HN 0.109 nan 8.250 nan 0.000 0.498 289 T N -3.695 110.932 114.554 0.122 0.000 3.043 289 T HA 0.035 4.370 4.350 -0.025 0.000 0.272 289 T C 0.470 175.191 174.700 0.035 0.000 0.990 289 T CA -0.405 61.772 62.100 0.129 0.000 0.897 289 T CB 0.008 68.984 68.868 0.181 0.000 1.111 289 T HN 0.380 nan 8.240 nan 0.000 0.529 290 N N 2.806 121.528 118.700 0.038 0.000 2.431 290 N HA 0.060 4.785 4.740 -0.025 0.000 0.265 290 N C 1.659 177.126 175.510 -0.072 0.000 1.184 290 N CA 0.266 53.306 53.050 -0.017 0.000 0.943 290 N CB 1.803 40.278 38.487 -0.019 0.000 1.080 290 N HN 0.235 nan 8.380 nan 0.000 0.477 291 V N 3.091 122.894 119.914 -0.185 0.000 2.427 291 V HA -0.132 3.973 4.120 -0.025 0.000 0.248 291 V C 1.993 178.015 176.094 -0.120 0.000 1.051 291 V CA 1.258 63.417 62.300 -0.234 0.000 1.048 291 V CB -0.475 31.185 31.823 -0.271 0.000 0.666 291 V HN 0.545 nan 8.190 nan 0.000 0.456 292 K N -0.278 120.016 120.400 -0.177 0.000 2.148 292 K HA -0.040 4.265 4.320 -0.025 0.000 0.204 292 K C 2.003 178.550 176.600 -0.088 0.000 1.050 292 K CA 1.689 57.934 56.287 -0.071 0.000 0.942 292 K CB -0.360 32.057 32.500 -0.138 0.000 0.724 292 K HN 0.574 nan 8.250 nan 0.000 0.446 293 F N 2.000 121.782 119.950 -0.279 0.000 2.113 293 F HA -0.131 4.382 4.527 -0.024 0.000 0.297 293 F C 1.735 177.435 175.800 -0.166 0.000 1.103 293 F CA 1.235 59.071 58.000 -0.274 0.000 1.248 293 F CB -0.291 38.533 39.000 -0.293 0.000 0.999 293 F HN -0.145 nan 8.300 nan 0.000 0.475 294 L N 0.110 121.160 121.223 -0.289 0.000 2.083 294 L HA -0.178 4.147 4.340 -0.025 0.000 0.209 294 L C 2.801 179.480 176.870 -0.319 0.000 1.083 294 L CA 1.095 55.716 54.840 -0.364 0.000 0.752 294 L CB -1.227 40.694 42.059 -0.231 0.000 0.899 294 L HN 0.284 nan 8.230 nan 0.000 0.433 295 A N 0.296 122.996 122.820 -0.200 0.000 1.933 295 A HA -0.166 4.139 4.320 -0.025 0.000 0.218 295 A C 2.164 179.594 177.584 -0.257 0.000 1.175 295 A CA 1.322 53.268 52.037 -0.151 0.000 0.628 295 A CB -0.407 18.593 19.000 -0.000 0.000 0.814 295 A HN 0.265 nan 8.150 nan 0.000 0.444 296 I N 0.092 120.467 120.570 -0.325 0.000 2.163 296 I HA -0.160 3.995 4.170 -0.025 0.000 0.240 296 I C 2.526 178.323 176.117 -0.533 0.000 1.081 296 I CA 2.008 63.026 61.300 -0.469 0.000 1.353 296 I CB -2.108 35.676 38.000 -0.360 0.000 1.054 296 I HN 0.242 nan 8.210 nan 0.000 0.407 297 T N 1.057 115.278 114.554 -0.556 0.000 2.684 297 T HA -0.167 4.168 4.350 -0.025 0.000 0.267 297 T C 1.870 176.376 174.700 -0.324 0.000 1.036 297 T CA 2.354 64.166 62.100 -0.480 0.000 1.148 297 T CB -0.669 67.807 68.868 -0.653 0.000 0.863 297 T HN 0.561 nan 8.240 nan 0.000 0.436 298 T N 0.074 114.448 114.554 -0.300 0.000 2.962 298 T HA -0.090 4.245 4.350 -0.025 0.000 0.270 298 T C 1.636 176.200 174.700 -0.225 0.000 1.088 298 T CA 1.428 63.396 62.100 -0.220 0.000 1.127 298 T CB -0.377 68.377 68.868 -0.191 0.000 0.883 298 T HN 0.285 nan 8.240 nan 0.000 0.493 299 D N 0.162 120.393 120.400 -0.281 0.000 2.149 299 D HA -0.002 4.623 4.640 -0.025 0.000 0.201 299 D C 2.046 178.242 176.300 -0.174 0.000 0.972 299 D CA 0.586 54.435 54.000 -0.251 0.000 0.835 299 D CB -0.478 40.154 40.800 -0.280 0.000 0.966 299 D HN 0.454 nan 8.370 nan 0.000 0.476 300 C N -0.068 119.106 119.300 -0.209 0.000 2.432 300 C HA -0.052 4.393 4.460 -0.025 0.000 0.277 300 C C 2.781 177.729 174.990 -0.069 0.000 1.249 300 C CA 0.296 59.262 59.018 -0.087 0.000 1.725 300 C CB -1.169 26.512 27.740 -0.098 0.000 2.028 300 C HN 0.425 nan 8.230 nan 0.000 0.477 301 L N 0.648 121.814 121.223 -0.096 0.000 2.127 301 L HA -0.221 4.104 4.340 -0.025 0.000 0.211 301 L C 2.912 179.749 176.870 -0.055 0.000 1.089 301 L CA 1.427 56.227 54.840 -0.067 0.000 0.757 301 L CB -0.730 41.284 42.059 -0.076 0.000 0.899 301 L HN 0.508 nan 8.230 nan 0.000 0.434 302 Q N 0.635 120.384 119.800 -0.084 0.000 2.083 302 Q HA -0.180 4.145 4.340 -0.025 0.000 0.198 302 Q C 2.272 178.250 176.000 -0.037 0.000 0.969 302 Q CA 1.523 57.278 55.803 -0.079 0.000 0.838 302 Q CB 0.004 28.649 28.738 -0.156 0.000 0.900 302 Q HN 0.555 nan 8.270 nan 0.000 0.436 303 I N 0.747 121.290 120.570 -0.045 0.000 2.226 303 I HA -0.308 3.847 4.170 -0.025 0.000 0.245 303 I C 2.307 178.440 176.117 0.027 0.000 1.100 303 I CA 0.919 62.208 61.300 -0.018 0.000 1.374 303 I CB -0.205 37.782 38.000 -0.021 0.000 1.057 303 I HN 0.190 nan 8.210 nan 0.000 0.413 304 L N 0.201 121.431 121.223 0.013 0.000 2.156 304 L HA -0.102 4.223 4.340 -0.025 0.000 0.208 304 L C 2.723 179.609 176.870 0.027 0.000 1.095 304 L CA 1.020 55.870 54.840 0.018 0.000 0.770 304 L CB -0.620 41.442 42.059 0.005 0.000 0.914 304 L HN 0.206 nan 8.230 nan 0.000 0.439 305 A N -0.920 121.919 122.820 0.031 0.000 1.935 305 A HA -0.169 4.136 4.320 -0.025 0.000 0.214 305 A C 0.921 178.538 177.584 0.056 0.000 1.178 305 A CA 0.013 52.068 52.037 0.030 0.000 0.640 305 A CB -0.585 18.425 19.000 0.017 0.000 0.825 305 A HN 0.307 nan 8.150 nan 0.000 0.447 306 Y N 1.856 122.127 120.300 -0.048 0.000 2.867 306 Y HA 0.181 4.715 4.550 -0.026 0.000 0.367 306 Y C 1.370 177.245 175.900 -0.041 0.000 1.310 306 Y CA 0.676 58.747 58.100 -0.049 0.000 1.655 306 Y CB -0.662 37.765 38.460 -0.054 0.000 1.181 306 Y HN 0.654 nan 8.280 nan 0.000 0.533 307 G N 4.627 113.154 108.800 -0.455 0.000 2.305 307 G HA2 -0.332 3.613 3.960 -0.025 0.000 0.287 307 G HA3 -0.332 3.613 3.960 -0.025 0.000 0.287 307 G C -0.245 174.540 174.900 -0.192 0.000 1.036 307 G CA 0.399 45.255 45.100 -0.407 0.000 0.887 307 G HN 0.902 nan 8.290 nan 0.000 0.505 308 N N -0.438 118.193 118.700 -0.114 0.000 2.571 308 N HA 0.224 4.948 4.740 -0.025 0.000 0.286 308 N C 1.004 176.487 175.510 -0.046 0.000 1.138 308 N CA -0.486 52.525 53.050 -0.065 0.000 0.859 308 N CB 0.990 39.454 38.487 -0.038 0.000 1.414 308 N HN 0.294 nan 8.380 nan 0.000 0.529 309 Q N 1.177 120.951 119.800 -0.044 0.000 2.297 309 Q HA -0.097 4.228 4.340 -0.025 0.000 0.204 309 Q C 0.361 176.349 176.000 -0.020 0.000 0.962 309 Q CA 1.254 57.038 55.803 -0.031 0.000 0.879 309 Q CB 0.466 29.186 28.738 -0.030 0.000 0.947 309 Q HN 0.587 nan 8.270 nan 0.000 0.462 310 E N 0.213 120.403 120.200 -0.017 0.000 2.031 310 E HA -0.141 4.194 4.350 -0.025 0.000 0.193 310 E C 2.088 178.684 176.600 -0.006 0.000 0.994 310 E CA 1.551 57.945 56.400 -0.010 0.000 0.800 310 E CB -0.200 29.496 29.700 -0.007 0.000 0.752 310 E HN 0.094 nan 8.360 nan 0.000 0.447 311 S N 0.789 116.485 115.700 -0.007 0.000 2.356 311 S HA -0.174 4.281 4.470 -0.025 0.000 0.223 311 S C 1.745 176.342 174.600 -0.004 0.000 1.032 311 S CA 1.324 59.523 58.200 -0.003 0.000 1.005 311 S CB -0.244 62.956 63.200 -0.001 0.000 0.867 311 S HN 0.186 nan 8.310 nan 0.000 0.449 312 K N 0.993 121.387 120.400 -0.009 0.000 2.063 312 K HA -0.065 4.239 4.320 -0.025 0.000 0.208 312 K C 2.073 178.670 176.600 -0.006 0.000 1.048 312 K CA 1.109 57.391 56.287 -0.008 0.000 0.928 312 K CB -0.462 32.030 32.500 -0.014 0.000 0.713 312 K HN 0.293 nan 8.250 nan 0.000 0.442 313 L N 0.779 121.998 121.223 -0.006 0.000 2.017 313 L HA -0.194 4.131 4.340 -0.025 0.000 0.208 313 L C 2.412 179.282 176.870 -0.000 0.000 1.073 313 L CA 1.195 56.033 54.840 -0.003 0.000 0.745 313 L CB -0.352 41.705 42.059 -0.004 0.000 0.894 313 L HN 0.186 nan 8.230 nan 0.000 0.432 314 I N -0.307 120.263 120.570 0.001 0.000 2.226 314 I HA -0.323 3.832 4.170 -0.025 0.000 0.245 314 I C 2.421 178.541 176.117 0.004 0.000 1.100 314 I CA 1.389 62.691 61.300 0.003 0.000 1.374 314 I CB -0.181 37.821 38.000 0.005 0.000 1.057 314 I HN 0.197 nan 8.210 nan 0.000 0.413 315 I N 0.188 120.759 120.570 0.001 0.000 2.163 315 I HA -0.319 3.836 4.170 -0.025 0.000 0.243 315 I C 2.561 178.680 176.117 0.003 0.000 1.085 315 I CA 1.244 62.545 61.300 0.001 0.000 1.347 315 I CB -0.331 37.667 38.000 -0.003 0.000 1.044 315 I HN 0.258 nan 8.210 nan 0.000 0.408 316 L N 1.481 122.705 121.223 0.003 0.000 1.989 316 L HA -0.195 4.130 4.340 -0.025 0.000 0.211 316 L C 2.592 179.466 176.870 0.006 0.000 1.071 316 L CA 2.340 57.183 54.840 0.004 0.000 0.749 316 L CB -0.958 41.103 42.059 0.003 0.000 0.890 316 L HN 0.199 nan 8.230 nan 0.000 0.431 317 A N -1.503 121.320 122.820 0.006 0.000 1.978 317 A HA -0.186 4.119 4.320 -0.025 0.000 0.220 317 A C 2.237 179.826 177.584 0.009 0.000 1.170 317 A CA 1.943 53.984 52.037 0.007 0.000 0.636 317 A CB -0.907 18.097 19.000 0.006 0.000 0.810 317 A HN 0.571 nan 8.150 nan 0.000 0.448 318 S N -1.371 114.334 115.700 0.009 0.000 2.607 318 S HA 0.334 4.789 4.470 -0.025 0.000 0.224 318 S C 1.365 175.973 174.600 0.014 0.000 0.969 318 S CA 0.770 58.977 58.200 0.012 0.000 0.927 318 S CB -0.220 62.987 63.200 0.012 0.000 0.772 318 S HN 1.637 nan 8.310 nan 0.000 0.533 319 G N 1.037 109.845 108.800 0.012 0.000 2.147 319 G HA2 -0.260 3.685 3.960 -0.025 0.000 0.244 319 G HA3 -0.260 3.685 3.960 -0.025 0.000 0.244 319 G C 0.856 175.765 174.900 0.016 0.000 1.005 319 G CA 0.295 45.404 45.100 0.014 0.000 0.713 319 G HN 0.605 nan 8.290 nan 0.000 0.515 320 G N 0.881 109.688 108.800 0.012 0.000 2.459 320 G HA2 -0.033 3.912 3.960 -0.025 0.000 0.217 320 G HA3 -0.033 3.912 3.960 -0.025 0.000 0.217 320 G C 0.167 175.074 174.900 0.012 0.000 1.183 320 G CA 1.779 46.885 45.100 0.009 0.000 0.776 320 G HN 0.536 nan 8.290 nan 0.000 0.552 321 P HA -0.200 nan 4.420 nan 0.000 0.214 321 P C 1.861 179.173 177.300 0.020 0.000 1.169 321 P CA 1.963 65.071 63.100 0.014 0.000 0.908 321 P CB -0.041 31.666 31.700 0.012 0.000 0.791 322 Q N -0.291 119.521 119.800 0.020 0.000 2.124 322 Q HA -0.142 4.183 4.340 -0.025 0.000 0.202 322 Q C 1.979 177.998 176.000 0.032 0.000 0.977 322 Q CA 2.170 57.987 55.803 0.024 0.000 0.850 322 Q CB -1.313 27.437 28.738 0.021 0.000 0.901 322 Q HN 0.133 nan 8.270 nan 0.000 0.429 323 A N -0.045 122.795 122.820 0.033 0.000 1.873 323 A HA -0.090 4.215 4.320 -0.025 0.000 0.215 323 A C 2.123 179.738 177.584 0.050 0.000 1.186 323 A CA 1.336 53.400 52.037 0.044 0.000 0.616 323 A CB -0.740 18.284 19.000 0.039 0.000 0.823 323 A HN 0.437 nan 8.150 nan 0.000 0.442 324 L N -0.459 120.785 121.223 0.034 0.000 2.046 324 L HA -0.168 4.157 4.340 -0.025 0.000 0.208 324 L C 2.494 179.393 176.870 0.049 0.000 1.077 324 L CA 1.113 55.972 54.840 0.031 0.000 0.747 324 L CB -0.586 41.479 42.059 0.011 0.000 0.896 324 L HN 0.237 nan 8.230 nan 0.000 0.432 325 V N 0.043 119.985 119.914 0.045 0.000 2.407 325 V HA -0.281 3.824 4.120 -0.025 0.000 0.248 325 V C 2.051 178.184 176.094 0.065 0.000 1.055 325 V CA 1.998 64.329 62.300 0.053 0.000 1.049 325 V CB -0.819 31.028 31.823 0.040 0.000 0.662 325 V HN 0.514 nan 8.190 nan 0.000 0.455 326 N N 0.046 118.784 118.700 0.063 0.000 2.120 326 N HA -0.147 4.578 4.740 -0.025 0.000 0.188 326 N C 1.874 177.445 175.510 0.101 0.000 1.024 326 N CA 1.441 54.530 53.050 0.065 0.000 0.852 326 N CB -0.186 38.339 38.487 0.064 0.000 1.003 326 N HN 0.408 nan 8.380 nan 0.000 0.424 327 I N 1.029 121.693 120.570 0.156 0.000 2.179 327 I HA -0.259 3.896 4.170 -0.025 0.000 0.242 327 I C 2.135 178.393 176.117 0.235 0.000 1.088 327 I CA 0.909 62.377 61.300 0.280 0.000 1.357 327 I CB -0.148 37.978 38.000 0.210 0.000 1.051 327 I HN 0.207 nan 8.210 nan 0.000 0.409 328 M N 0.600 120.294 119.600 0.157 0.000 2.267 328 M HA -0.174 4.291 4.480 -0.025 0.000 0.263 328 M C 2.023 178.501 176.300 0.296 0.000 1.063 328 M CA 1.629 57.042 55.300 0.189 0.000 1.090 328 M CB -1.116 31.579 32.600 0.159 0.000 1.392 328 M HN 0.391 nan 8.290 nan 0.000 0.422 329 R N -1.609 118.982 120.500 0.152 0.000 2.359 329 R HA 0.195 4.520 4.340 -0.025 0.000 0.231 329 R C 0.855 177.160 176.300 0.008 0.000 0.913 329 R CA 0.506 56.654 56.100 0.081 0.000 1.075 329 R CB -0.284 30.034 30.300 0.031 0.000 1.087 329 R HN 0.141 nan 8.270 nan 0.000 0.515 330 T N -0.705 113.827 114.554 -0.036 0.000 3.098 330 T HA 0.175 4.510 4.350 -0.025 0.000 0.246 330 T C -0.179 174.309 174.700 -0.353 0.000 0.983 330 T CA 0.311 62.246 62.100 -0.273 0.000 1.094 330 T CB -0.049 68.494 68.868 -0.541 0.000 1.035 330 T HN 0.066 nan 8.240 nan 0.000 0.456 331 Y N 1.713 122.071 120.300 0.097 0.000 2.374 331 Y HA 0.442 4.977 4.550 -0.025 0.000 0.322 331 Y C 1.739 177.715 175.900 0.127 0.000 1.275 331 Y CA -0.551 57.610 58.100 0.101 0.000 1.307 331 Y CB 0.837 39.355 38.460 0.098 0.000 1.282 331 Y HN 0.044 nan 8.280 nan 0.000 0.509 332 T N -3.535 111.199 114.554 0.300 0.000 3.043 332 T HA 0.070 4.405 4.350 -0.025 0.000 0.272 332 T C -0.380 174.457 174.700 0.229 0.000 0.990 332 T CA -0.150 62.084 62.100 0.223 0.000 0.897 332 T CB -0.515 68.455 68.868 0.170 0.000 1.111 332 T HN 0.412 nan 8.240 nan 0.000 0.529 333 Y N 3.847 124.211 120.300 0.106 0.000 2.697 333 Y HA 0.249 4.784 4.550 -0.024 0.000 0.349 333 Y C 1.596 177.518 175.900 0.037 0.000 1.120 333 Y CA -1.472 56.661 58.100 0.054 0.000 1.468 333 Y CB 0.333 38.809 38.460 0.026 0.000 1.182 333 Y HN 0.138 nan 8.280 nan 0.000 0.525 334 E N 4.823 124.943 120.200 -0.133 0.000 2.086 334 E HA -0.324 4.011 4.350 -0.025 0.000 0.205 334 E C 1.404 177.838 176.600 -0.277 0.000 1.027 334 E CA 2.306 58.591 56.400 -0.192 0.000 0.830 334 E CB 0.171 29.775 29.700 -0.160 0.000 0.751 334 E HN 0.843 nan 8.360 nan 0.000 0.456 335 K N 0.004 120.043 120.400 -0.602 0.000 2.063 335 K HA -0.188 4.117 4.320 -0.025 0.000 0.208 335 K C 2.327 178.819 176.600 -0.179 0.000 1.048 335 K CA 1.368 57.438 56.287 -0.361 0.000 0.928 335 K CB -0.319 31.849 32.500 -0.554 0.000 0.713 335 K HN 0.110 nan 8.250 nan 0.000 0.442 336 L N 1.421 122.467 121.223 -0.294 0.000 2.056 336 L HA -0.126 4.199 4.340 -0.025 0.000 0.207 336 L C 1.890 178.728 176.870 -0.054 0.000 1.078 336 L CA 1.473 56.271 54.840 -0.070 0.000 0.749 336 L CB -0.325 41.774 42.059 0.066 0.000 0.901 336 L HN 0.111 nan 8.230 nan 0.000 0.433 337 L N -1.924 119.268 121.223 -0.053 0.000 2.046 337 L HA -0.233 4.092 4.340 -0.025 0.000 0.208 337 L C 2.408 179.261 176.870 -0.028 0.000 1.077 337 L CA 1.683 56.467 54.840 -0.093 0.000 0.747 337 L CB -0.885 41.038 42.059 -0.228 0.000 0.896 337 L HN 0.529 nan 8.230 nan 0.000 0.432 338 W N 1.104 122.304 121.300 -0.167 0.000 2.333 338 W HA -0.216 4.428 4.660 -0.027 0.000 0.316 338 W C 2.553 179.017 176.519 -0.091 0.000 1.215 338 W CA 2.149 59.421 57.345 -0.122 0.000 1.278 338 W CB -0.726 28.657 29.460 -0.128 0.000 1.154 338 W HN -0.050 nan 8.180 nan 0.000 0.486 339 T N 0.114 114.485 114.554 -0.304 0.000 2.788 339 T HA -0.196 4.139 4.350 -0.025 0.000 0.268 339 T C 1.609 176.113 174.700 -0.327 0.000 1.044 339 T CA 2.323 64.122 62.100 -0.502 0.000 1.139 339 T CB -0.667 68.014 68.868 -0.312 0.000 0.867 339 T HN 0.176 nan 8.240 nan 0.000 0.454 340 T N 1.945 116.384 114.554 -0.193 0.000 2.857 340 T HA -0.085 4.250 4.350 -0.025 0.000 0.266 340 T C 2.445 177.080 174.700 -0.108 0.000 1.048 340 T CA 1.409 63.433 62.100 -0.127 0.000 1.139 340 T CB -0.373 68.455 68.868 -0.068 0.000 0.874 340 T HN 0.605 nan 8.240 nan 0.000 0.455 341 S N 1.724 117.360 115.700 -0.106 0.000 2.423 341 S HA -0.059 4.396 4.470 -0.025 0.000 0.231 341 S C 2.007 176.563 174.600 -0.073 0.000 1.014 341 S CA 0.594 58.764 58.200 -0.051 0.000 0.965 341 S CB -0.318 62.883 63.200 0.000 0.000 0.785 341 S HN 0.426 nan 8.310 nan 0.000 0.495 342 R N 0.442 120.825 120.500 -0.195 0.000 2.090 342 R HA 0.112 4.437 4.340 -0.025 0.000 0.228 342 R C 2.237 178.462 176.300 -0.125 0.000 1.110 342 R CA 1.176 57.155 56.100 -0.203 0.000 0.973 342 R CB -0.544 29.503 30.300 -0.422 0.000 0.869 342 R HN 0.343 nan 8.270 nan 0.000 0.440 343 V N 1.407 121.244 119.914 -0.128 0.000 2.358 343 V HA -0.207 3.898 4.120 -0.025 0.000 0.246 343 V C 2.232 178.306 176.094 -0.033 0.000 1.047 343 V CA 1.554 63.808 62.300 -0.077 0.000 1.035 343 V CB -0.357 31.417 31.823 -0.081 0.000 0.658 343 V HN 0.284 nan 8.190 nan 0.000 0.452 344 L N -0.075 121.132 121.223 -0.026 0.000 2.093 344 L HA -0.189 4.136 4.340 -0.025 0.000 0.208 344 L C 2.599 179.482 176.870 0.022 0.000 1.085 344 L CA 1.779 56.621 54.840 0.003 0.000 0.755 344 L CB -0.587 41.480 42.059 0.013 0.000 0.904 344 L HN 0.336 nan 8.230 nan 0.000 0.435 345 K N 0.268 120.685 120.400 0.028 0.000 2.026 345 K HA -0.166 4.139 4.320 -0.025 0.000 0.208 345 K C 1.995 178.621 176.600 0.042 0.000 1.048 345 K CA 1.543 57.865 56.287 0.058 0.000 0.929 345 K CB -0.001 32.547 32.500 0.081 0.000 0.713 345 K HN 0.088 nan 8.250 nan 0.000 0.439 346 V N 1.790 121.726 119.914 0.036 0.000 2.343 346 V HA -0.236 3.869 4.120 -0.025 0.000 0.247 346 V C 2.296 178.403 176.094 0.021 0.000 1.051 346 V CA 1.557 63.887 62.300 0.051 0.000 1.036 346 V CB -0.312 31.558 31.823 0.077 0.000 0.654 346 V HN 0.328 nan 8.190 nan 0.000 0.451 347 L N 0.693 121.924 121.223 0.014 0.000 2.217 347 L HA -0.080 4.245 4.340 -0.025 0.000 0.211 347 L C 2.603 179.478 176.870 0.009 0.000 1.107 347 L CA 1.395 56.238 54.840 0.006 0.000 0.783 347 L CB -0.599 41.462 42.059 0.004 0.000 0.919 347 L HN 0.533 nan 8.230 nan 0.000 0.442 348 S N -0.207 115.504 115.700 0.018 0.000 2.474 348 S HA -0.102 4.353 4.470 -0.025 0.000 0.235 348 S C 1.665 176.274 174.600 0.016 0.000 0.997 348 S CA 0.886 59.100 58.200 0.023 0.000 0.949 348 S CB -0.677 62.547 63.200 0.039 0.000 0.766 348 S HN 0.354 nan 8.310 nan 0.000 0.517 349 V N -1.032 118.885 119.914 0.006 0.000 3.623 349 V HA 0.333 4.438 4.120 -0.025 0.000 0.271 349 V C 1.021 177.107 176.094 -0.014 0.000 1.248 349 V CA -0.449 61.848 62.300 -0.006 0.000 1.156 349 V CB -1.640 30.171 31.823 -0.020 0.000 0.870 349 V HN 0.676 nan 8.190 nan 0.000 0.453 350 C N 1.671 120.965 119.300 -0.009 0.000 2.405 350 C HA 0.639 5.084 4.460 -0.025 0.000 0.365 350 C C 2.393 177.379 174.990 -0.006 0.000 1.233 350 C CA 0.454 59.465 59.018 -0.012 0.000 2.230 350 C CB 1.480 29.213 27.740 -0.011 0.000 2.443 350 C HN 0.725 nan 8.230 nan 0.000 0.556 351 S N 2.897 118.592 115.700 -0.008 0.000 2.377 351 S HA -0.122 4.333 4.470 -0.025 0.000 0.223 351 S C 1.711 176.311 174.600 -0.001 0.000 1.030 351 S CA 1.419 59.617 58.200 -0.004 0.000 0.970 351 S CB -0.747 62.450 63.200 -0.005 0.000 0.830 351 S HN 1.134 nan 8.310 nan 0.000 0.473 352 S N 2.170 117.869 115.700 -0.003 0.000 2.414 352 S HA 0.080 4.535 4.470 -0.025 0.000 0.227 352 S C 1.759 176.360 174.600 0.002 0.000 1.022 352 S CA 0.537 58.737 58.200 -0.000 0.000 0.958 352 S CB -0.670 62.529 63.200 -0.002 0.000 0.797 352 S HN 0.500 nan 8.310 nan 0.000 0.493 353 N N 1.841 120.542 118.700 0.001 0.000 2.300 353 N HA -0.000 4.725 4.740 -0.025 0.000 0.179 353 N C 1.668 177.182 175.510 0.007 0.000 1.016 353 N CA 0.819 53.871 53.050 0.004 0.000 0.876 353 N CB -0.226 38.263 38.487 0.002 0.000 0.979 353 N HN 0.594 nan 8.380 nan 0.000 0.432 354 K N 1.768 122.172 120.400 0.007 0.000 1.987 354 K HA -0.113 4.192 4.320 -0.025 0.000 0.216 354 K C -0.898 175.709 176.600 0.011 0.000 1.051 354 K CA 1.527 57.820 56.287 0.011 0.000 0.942 354 K CB -0.810 31.696 32.500 0.010 0.000 0.722 354 K HN 0.069 nan 8.250 nan 0.000 0.444 355 P HA -0.132 nan 4.420 nan 0.000 0.222 355 P C 0.853 178.158 177.300 0.008 0.000 1.147 355 P CA 1.689 64.794 63.100 0.008 0.000 0.790 355 P CB 0.016 31.719 31.700 0.006 0.000 0.780 356 A N 0.302 123.127 122.820 0.008 0.000 1.872 356 A HA -0.086 4.219 4.320 -0.025 0.000 0.214 356 A C 2.341 179.931 177.584 0.011 0.000 1.187 356 A CA 1.067 53.109 52.037 0.009 0.000 0.614 356 A CB -1.410 17.595 19.000 0.008 0.000 0.826 356 A HN 0.101 nan 8.150 nan 0.000 0.442 357 I N -0.197 120.381 120.570 0.013 0.000 2.286 357 I HA -0.206 3.949 4.170 -0.025 0.000 0.248 357 I C 2.279 178.405 176.117 0.016 0.000 1.115 357 I CA 0.979 62.289 61.300 0.016 0.000 1.392 357 I CB -0.310 37.701 38.000 0.019 0.000 1.065 357 I HN 0.141 nan 8.210 nan 0.000 0.418 358 V N 0.622 120.544 119.914 0.014 0.000 2.307 358 V HA -0.218 3.887 4.120 -0.025 0.000 0.245 358 V C 2.478 178.577 176.094 0.008 0.000 1.045 358 V CA 1.684 63.990 62.300 0.011 0.000 1.024 358 V CB -0.622 31.207 31.823 0.009 0.000 0.651 358 V HN 0.384 nan 8.190 nan 0.000 0.449 359 E N 0.668 120.873 120.200 0.008 0.000 2.153 359 E HA -0.132 4.203 4.350 -0.025 0.000 0.194 359 E C 2.254 178.859 176.600 0.008 0.000 0.988 359 E CA 1.417 57.821 56.400 0.006 0.000 0.811 359 E CB -0.607 29.097 29.700 0.006 0.000 0.746 359 E HN 0.581 nan 8.360 nan 0.000 0.466 360 A N 0.132 122.959 122.820 0.011 0.000 2.121 360 A HA 0.170 4.475 4.320 -0.025 0.000 0.218 360 A C 1.674 179.266 177.584 0.014 0.000 1.154 360 A CA 1.354 53.399 52.037 0.013 0.000 0.679 360 A CB -0.292 18.719 19.000 0.017 0.000 0.795 360 A HN 0.307 nan 8.150 nan 0.000 0.458 361 G N -2.595 106.212 108.800 0.012 0.000 2.141 361 G HA2 -0.053 3.892 3.960 -0.025 0.000 0.195 361 G HA3 -0.053 3.892 3.960 -0.025 0.000 0.195 361 G C 1.111 176.021 174.900 0.018 0.000 1.012 361 G CA 0.525 45.631 45.100 0.011 0.000 0.696 361 G HN 1.179 nan 8.290 nan 0.000 0.508 362 G N 0.175 108.988 108.800 0.022 0.000 2.442 362 G HA2 -0.094 3.851 3.960 -0.025 0.000 0.219 362 G HA3 -0.094 3.851 3.960 -0.025 0.000 0.219 362 G C 1.906 176.825 174.900 0.032 0.000 1.141 362 G CA 1.773 46.891 45.100 0.031 0.000 0.763 362 G HN 0.423 nan 8.290 nan 0.000 0.554 363 M N 0.255 119.868 119.600 0.022 0.000 2.065 363 M HA -0.119 4.346 4.480 -0.025 0.000 0.259 363 M C 2.671 178.979 176.300 0.014 0.000 1.071 363 M CA 1.489 56.800 55.300 0.019 0.000 1.109 363 M CB -1.442 31.163 32.600 0.009 0.000 1.313 363 M HN 0.201 nan 8.290 nan 0.000 0.408 364 Q N 0.153 119.956 119.800 0.005 0.000 2.096 364 Q HA -0.054 4.271 4.340 -0.025 0.000 0.204 364 Q C 2.249 178.246 176.000 -0.004 0.000 0.982 364 Q CA 2.217 58.017 55.803 -0.005 0.000 0.850 364 Q CB -0.724 28.008 28.738 -0.010 0.000 0.901 364 Q HN 0.620 nan 8.270 nan 0.000 0.422 365 A N 0.224 123.054 122.820 0.017 0.000 1.873 365 A HA -0.125 4.180 4.320 -0.025 0.000 0.215 365 A C 2.053 179.685 177.584 0.081 0.000 1.186 365 A CA 1.153 53.213 52.037 0.039 0.000 0.616 365 A CB -0.711 18.328 19.000 0.065 0.000 0.823 365 A HN 0.340 nan 8.150 nan 0.000 0.442 366 L N -0.517 120.759 121.223 0.088 0.000 2.131 366 L HA -0.120 4.205 4.340 -0.025 0.000 0.210 366 L C 2.692 179.610 176.870 0.080 0.000 1.092 366 L CA 0.964 55.877 54.840 0.121 0.000 0.759 366 L CB -0.657 41.451 42.059 0.080 0.000 0.903 366 L HN 0.489 nan 8.230 nan 0.000 0.435 367 G N -0.217 108.597 108.800 0.023 0.000 2.509 367 G HA2 -0.150 3.795 3.960 -0.025 0.000 0.218 367 G HA3 -0.150 3.795 3.960 -0.025 0.000 0.218 367 G C 1.572 176.434 174.900 -0.064 0.000 1.124 367 G CA 0.219 45.312 45.100 -0.012 0.000 0.776 367 G HN 0.271 nan 8.290 nan 0.000 0.547 368 L N -0.255 120.886 121.223 -0.137 0.000 2.291 368 L HA 0.051 4.376 4.340 -0.025 0.000 0.214 368 L C 1.748 178.350 176.870 -0.447 0.000 1.120 368 L CA 0.626 55.277 54.840 -0.315 0.000 0.799 368 L CB -0.169 41.615 42.059 -0.458 0.000 0.925 368 L HN 0.286 nan 8.230 nan 0.000 0.446 369 H N -0.789 118.283 119.070 0.004 0.000 2.542 369 H HA 0.211 4.751 4.556 -0.025 0.000 0.283 369 H C 1.866 177.188 175.328 -0.010 0.000 1.059 369 H CA -0.008 56.042 56.048 0.004 0.000 1.162 369 H CB 0.609 30.381 29.762 0.017 0.000 1.539 369 H HN 0.313 nan 8.280 nan 0.000 0.543 370 L N 0.030 121.276 121.223 0.038 0.000 2.376 370 L HA -0.045 4.280 4.340 -0.025 0.000 0.219 370 L C 1.482 178.350 176.870 -0.003 0.000 1.133 370 L CA 1.021 55.867 54.840 0.010 0.000 0.816 370 L CB -0.010 42.042 42.059 -0.011 0.000 0.933 370 L HN 0.069 nan 8.230 nan 0.000 0.449 371 T N -2.009 112.543 114.554 -0.003 0.000 3.069 371 T HA 0.062 4.397 4.350 -0.025 0.000 0.252 371 T C 0.112 174.815 174.700 0.005 0.000 1.053 371 T CA -0.275 61.820 62.100 -0.008 0.000 0.964 371 T CB -0.123 68.734 68.868 -0.018 0.000 1.005 371 T HN 0.134 nan 8.240 nan 0.000 0.532 372 D N 2.369 122.787 120.400 0.031 0.000 2.414 372 D HA 0.146 4.771 4.640 -0.025 0.000 0.242 372 D C -1.408 174.896 176.300 0.006 0.000 1.129 372 D CA -1.606 52.419 54.000 0.042 0.000 0.885 372 D CB 1.072 41.927 40.800 0.092 0.000 1.198 372 D HN -0.016 nan 8.370 nan 0.000 0.437 373 P HA -0.113 nan 4.420 nan 0.000 0.217 373 P C 0.096 177.371 177.300 -0.040 0.000 1.148 373 P CA 0.834 63.922 63.100 -0.020 0.000 0.828 373 P CB 0.224 31.914 31.700 -0.016 0.000 0.783 374 S N -0.500 115.172 115.700 -0.047 0.000 2.481 374 S HA 0.013 4.468 4.470 -0.025 0.000 0.282 374 S C 1.215 175.764 174.600 -0.086 0.000 1.243 374 S CA -0.329 57.820 58.200 -0.085 0.000 1.078 374 S CB 0.225 63.363 63.200 -0.103 0.000 0.916 374 S HN -0.084 nan 8.310 nan 0.000 0.495 375 Q N 3.979 123.717 119.800 -0.103 0.000 2.123 375 Q HA -0.058 4.267 4.340 -0.025 0.000 0.199 375 Q C 2.298 178.226 176.000 -0.119 0.000 0.966 375 Q CA 1.724 57.465 55.803 -0.103 0.000 0.845 375 Q CB -0.112 28.569 28.738 -0.096 0.000 0.907 375 Q HN 0.905 nan 8.270 nan 0.000 0.439 376 R N -0.504 119.907 120.500 -0.148 0.000 2.148 376 R HA -0.065 4.260 4.340 -0.025 0.000 0.227 376 R C 1.819 178.122 176.300 0.005 0.000 1.103 376 R CA 1.086 57.115 56.100 -0.118 0.000 0.983 376 R CB -0.554 29.555 30.300 -0.319 0.000 0.874 376 R HN 0.200 nan 8.270 nan 0.000 0.451 377 L N 1.169 122.379 121.223 -0.022 0.000 2.023 377 L HA -0.019 4.306 4.340 -0.025 0.000 0.205 377 L C 2.165 179.051 176.870 0.028 0.000 1.073 377 L CA 1.324 56.209 54.840 0.075 0.000 0.745 377 L CB -0.369 41.703 42.059 0.021 0.000 0.900 377 L HN 0.021 nan 8.230 nan 0.000 0.435 378 V N -0.140 119.758 119.914 -0.027 0.000 2.287 378 V HA -0.326 3.779 4.120 -0.025 0.000 0.248 378 V C 2.658 178.665 176.094 -0.144 0.000 1.053 378 V CA 1.995 64.261 62.300 -0.056 0.000 1.027 378 V CB -0.746 31.035 31.823 -0.070 0.000 0.646 378 V HN 0.581 nan 8.190 nan 0.000 0.447 379 Q N 0.251 119.909 119.800 -0.237 0.000 2.167 379 Q HA -0.136 4.189 4.340 -0.025 0.000 0.202 379 Q C 2.007 177.671 176.000 -0.561 0.000 0.970 379 Q CA 1.615 57.090 55.803 -0.546 0.000 0.855 379 Q CB -0.404 27.933 28.738 -0.669 0.000 0.911 379 Q HN 0.616 nan 8.270 nan 0.000 0.438 380 N N -1.094 117.538 118.700 -0.114 0.000 2.216 380 N HA -0.091 4.634 4.740 -0.025 0.000 0.183 380 N C 1.488 177.067 175.510 0.115 0.000 1.017 380 N CA 1.192 54.339 53.050 0.162 0.000 0.861 380 N CB -0.178 38.456 38.487 0.246 0.000 0.986 380 N HN 0.319 nan 8.380 nan 0.000 0.428 381 C N 0.777 120.100 119.300 0.038 0.000 2.440 381 C HA 0.055 4.500 4.460 -0.025 0.000 0.278 381 C C 2.824 177.831 174.990 0.028 0.000 1.295 381 C CA 0.087 59.135 59.018 0.050 0.000 1.738 381 C CB -1.103 26.671 27.740 0.057 0.000 1.987 381 C HN 0.401 nan 8.230 nan 0.000 0.492 382 L N -0.628 120.557 121.223 -0.063 0.000 2.017 382 L HA -0.150 4.175 4.340 -0.025 0.000 0.208 382 L C 2.768 179.656 176.870 0.031 0.000 1.073 382 L CA 1.531 56.321 54.840 -0.085 0.000 0.745 382 L CB -0.579 41.339 42.059 -0.234 0.000 0.894 382 L HN 0.487 nan 8.230 nan 0.000 0.432 383 W N 0.394 121.715 121.300 0.035 0.000 2.355 383 W HA -0.134 4.513 4.660 -0.021 0.000 0.309 383 W C 2.706 179.240 176.519 0.026 0.000 1.206 383 W CA 1.537 58.900 57.345 0.030 0.000 1.284 383 W CB -1.480 28.000 29.460 0.034 0.000 1.145 383 W HN 0.187 nan 8.180 nan 0.000 0.502 384 T N 1.285 115.997 114.554 0.263 0.000 2.746 384 T HA -0.159 4.176 4.350 -0.025 0.000 0.267 384 T C 2.137 176.903 174.700 0.111 0.000 1.039 384 T CA 1.220 63.412 62.100 0.153 0.000 1.142 384 T CB -0.666 68.271 68.868 0.115 0.000 0.866 384 T HN 0.019 nan 8.240 nan 0.000 0.444 385 L N 0.419 121.702 121.223 0.099 0.000 2.046 385 L HA -0.084 4.241 4.340 -0.025 0.000 0.208 385 L C 2.913 179.827 176.870 0.073 0.000 1.077 385 L CA 1.351 56.233 54.840 0.069 0.000 0.747 385 L CB -0.394 41.694 42.059 0.049 0.000 0.896 385 L HN 0.166 nan 8.230 nan 0.000 0.432 386 R N 0.112 120.672 120.500 0.099 0.000 2.096 386 R HA -0.162 4.163 4.340 -0.025 0.000 0.235 386 R C 2.049 178.398 176.300 0.082 0.000 1.127 386 R CA 1.605 57.763 56.100 0.096 0.000 0.968 386 R CB -0.054 30.327 30.300 0.135 0.000 0.861 386 R HN 0.411 nan 8.270 nan 0.000 0.440 387 N N 0.514 119.267 118.700 0.088 0.000 2.188 387 N HA -0.136 4.589 4.740 -0.025 0.000 0.184 387 N C 1.723 177.261 175.510 0.046 0.000 1.018 387 N CA 1.154 54.241 53.050 0.062 0.000 0.858 387 N CB -0.112 38.411 38.487 0.059 0.000 0.989 387 N HN 0.291 nan 8.380 nan 0.000 0.426 388 L N 0.963 122.215 121.223 0.048 0.000 2.270 388 L HA 0.002 4.327 4.340 -0.025 0.000 0.210 388 L C 2.273 179.161 176.870 0.030 0.000 1.104 388 L CA 0.479 55.340 54.840 0.035 0.000 0.804 388 L CB -0.456 41.623 42.059 0.035 0.000 0.937 388 L HN 0.157 nan 8.230 nan 0.000 0.450 389 S N 0.167 115.889 115.700 0.036 0.000 2.423 389 S HA -0.249 4.206 4.470 -0.025 0.000 0.238 389 S C 1.588 176.204 174.600 0.027 0.000 1.028 389 S CA 1.529 59.747 58.200 0.031 0.000 1.000 389 S CB -0.581 62.643 63.200 0.040 0.000 0.797 389 S HN 0.661 nan 8.310 nan 0.000 0.487 390 D N 1.468 121.885 120.400 0.029 0.000 2.355 390 D HA 0.161 4.786 4.640 -0.025 0.000 0.218 390 D C 1.205 177.514 176.300 0.015 0.000 1.004 390 D CA 0.815 54.829 54.000 0.024 0.000 0.880 390 D CB -0.130 40.687 40.800 0.028 0.000 0.911 390 D HN 0.611 nan 8.370 nan 0.000 0.528 391 A N -0.257 122.572 122.820 0.014 0.000 2.564 391 A HA 0.646 4.951 4.320 -0.025 0.000 0.279 391 A C 1.317 178.905 177.584 0.006 0.000 1.232 391 A CA 0.134 52.176 52.037 0.009 0.000 0.950 391 A CB 0.486 19.492 19.000 0.011 0.000 1.138 391 A HN 0.235 nan 8.150 nan 0.000 0.526 392 A N -0.055 122.768 122.820 0.004 0.000 2.564 392 A HA 0.340 4.645 4.320 -0.025 0.000 0.279 392 A C 1.373 178.951 177.584 -0.011 0.000 1.232 392 A CA 0.817 52.853 52.037 -0.001 0.000 0.950 392 A CB -0.887 18.115 19.000 0.003 0.000 1.138 392 A HN 0.545 nan 8.150 nan 0.000 0.526 393 T N -2.645 111.901 114.554 -0.013 0.000 3.361 393 T HA 0.162 4.497 4.350 -0.025 0.000 0.251 393 T C 0.746 175.426 174.700 -0.033 0.000 1.131 393 T CA 0.693 62.777 62.100 -0.026 0.000 1.001 393 T CB -0.503 68.350 68.868 -0.026 0.000 1.003 393 T HN 0.426 nan 8.240 nan 0.000 0.558 394 K N -0.254 120.129 120.400 -0.028 0.000 2.520 394 K HA 0.208 4.513 4.320 -0.025 0.000 0.206 394 K C 0.258 176.838 176.600 -0.032 0.000 1.122 394 K CA -0.417 55.852 56.287 -0.030 0.000 1.045 394 K CB 0.689 33.180 32.500 -0.015 0.000 0.932 394 K HN 0.222 nan 8.250 nan 0.000 0.571 395 Q N 1.454 121.234 119.800 -0.033 0.000 2.306 395 Q HA 0.171 4.496 4.340 -0.025 0.000 0.241 395 Q C 0.052 176.026 176.000 -0.043 0.000 0.948 395 Q CA 0.480 56.265 55.803 -0.030 0.000 0.886 395 Q CB 1.181 29.906 28.738 -0.022 0.000 1.227 395 Q HN 0.113 nan 8.270 nan 0.000 0.457 396 E N -0.658 119.521 120.200 -0.035 0.000 2.285 396 E HA 0.417 4.752 4.350 -0.025 0.000 0.254 396 E C 0.111 176.691 176.600 -0.033 0.000 1.011 396 E CA -0.620 55.756 56.400 -0.040 0.000 0.873 396 E CB 0.865 30.546 29.700 -0.032 0.000 1.229 396 E HN 0.776 nan 8.360 nan 0.000 0.422 397 G N 1.211 109.992 108.800 -0.032 0.000 2.323 397 G HA2 -0.239 3.706 3.960 -0.025 0.000 0.292 397 G HA3 -0.239 3.706 3.960 -0.025 0.000 0.292 397 G C 0.518 175.401 174.900 -0.028 0.000 1.040 397 G CA 0.504 45.588 45.100 -0.027 0.000 0.942 397 G HN 0.212 nan 8.290 nan 0.000 0.506 398 M N -0.947 118.632 119.600 -0.034 0.000 2.371 398 M HA 0.155 4.620 4.480 -0.025 0.000 0.246 398 M C 1.976 178.258 176.300 -0.031 0.000 1.103 398 M CA 0.584 55.865 55.300 -0.032 0.000 1.010 398 M CB -0.107 32.471 32.600 -0.038 0.000 1.457 398 M HN 0.309 nan 8.290 nan 0.000 0.486 399 E N 1.105 121.286 120.200 -0.031 0.000 2.065 399 E HA -0.166 4.169 4.350 -0.025 0.000 0.201 399 E C 2.121 178.706 176.600 -0.025 0.000 1.016 399 E CA 1.992 58.376 56.400 -0.028 0.000 0.818 399 E CB -1.032 28.654 29.700 -0.024 0.000 0.749 399 E HN 0.564 nan 8.360 nan 0.000 0.453 400 G N 0.686 109.470 108.800 -0.026 0.000 2.446 400 G HA2 -0.252 3.693 3.960 -0.025 0.000 0.217 400 G HA3 -0.252 3.693 3.960 -0.025 0.000 0.217 400 G C 1.519 176.403 174.900 -0.027 0.000 1.168 400 G CA 0.953 46.036 45.100 -0.028 0.000 0.771 400 G HN 0.219 nan 8.290 nan 0.000 0.551 401 L N 0.621 121.829 121.223 -0.026 0.000 1.994 401 L HA 0.065 4.390 4.340 -0.025 0.000 0.208 401 L C 2.749 179.608 176.870 -0.019 0.000 1.071 401 L CA 1.465 56.292 54.840 -0.021 0.000 0.745 401 L CB -0.691 41.358 42.059 -0.017 0.000 0.892 401 L HN 0.228 nan 8.230 nan 0.000 0.431 402 L N -0.537 120.674 121.223 -0.020 0.000 2.042 402 L HA -0.164 4.161 4.340 -0.025 0.000 0.210 402 L C 2.532 179.391 176.870 -0.019 0.000 1.076 402 L CA 1.400 56.228 54.840 -0.020 0.000 0.749 402 L CB -1.457 40.587 42.059 -0.025 0.000 0.893 402 L HN 0.496 nan 8.230 nan 0.000 0.432 403 G N -1.004 107.784 108.800 -0.020 0.000 2.418 403 G HA2 -0.217 3.728 3.960 -0.025 0.000 0.217 403 G HA3 -0.217 3.728 3.960 -0.025 0.000 0.217 403 G C 1.580 176.468 174.900 -0.019 0.000 1.158 403 G CA 1.229 46.318 45.100 -0.018 0.000 0.771 403 G HN 0.297 nan 8.290 nan 0.000 0.545 404 T N 1.383 115.924 114.554 -0.021 0.000 2.821 404 T HA 0.018 4.353 4.350 -0.025 0.000 0.267 404 T C 2.419 177.107 174.700 -0.021 0.000 1.046 404 T CA 0.657 62.744 62.100 -0.022 0.000 1.139 404 T CB -0.162 68.691 68.868 -0.025 0.000 0.871 404 T HN 0.135 nan 8.240 nan 0.000 0.454 405 L N 0.741 121.953 121.223 -0.018 0.000 2.046 405 L HA -0.100 4.225 4.340 -0.025 0.000 0.208 405 L C 2.670 179.530 176.870 -0.016 0.000 1.077 405 L CA 0.977 55.807 54.840 -0.016 0.000 0.747 405 L CB -0.762 41.291 42.059 -0.010 0.000 0.896 405 L HN 0.153 nan 8.230 nan 0.000 0.432 406 V N 0.529 120.433 119.914 -0.016 0.000 2.287 406 V HA -0.326 3.779 4.120 -0.025 0.000 0.248 406 V C 2.594 178.676 176.094 -0.020 0.000 1.053 406 V CA 2.281 64.570 62.300 -0.018 0.000 1.027 406 V CB -0.781 31.031 31.823 -0.018 0.000 0.646 406 V HN 0.677 nan 8.190 nan 0.000 0.447 407 Q N -0.188 119.600 119.800 -0.020 0.000 2.224 407 Q HA -0.117 4.208 4.340 -0.025 0.000 0.203 407 Q C 2.046 178.033 176.000 -0.022 0.000 0.970 407 Q CA 1.582 57.373 55.803 -0.020 0.000 0.865 407 Q CB -0.432 28.294 28.738 -0.019 0.000 0.922 407 Q HN 0.547 nan 8.270 nan 0.000 0.445 408 L N 0.561 121.770 121.223 -0.023 0.000 2.362 408 L HA -0.064 4.261 4.340 -0.025 0.000 0.219 408 L C 2.081 178.937 176.870 -0.024 0.000 1.134 408 L CA 0.434 55.258 54.840 -0.026 0.000 0.807 408 L CB -0.205 41.836 42.059 -0.030 0.000 0.927 408 L HN 0.307 nan 8.230 nan 0.000 0.447 409 L N -0.538 120.672 121.223 -0.020 0.000 2.362 409 L HA -0.065 4.260 4.340 -0.025 0.000 0.219 409 L C 2.065 178.924 176.870 -0.017 0.000 1.134 409 L CA 0.831 55.660 54.840 -0.017 0.000 0.807 409 L CB -0.519 41.530 42.059 -0.017 0.000 0.927 409 L HN 0.274 nan 8.230 nan 0.000 0.447 410 G N -1.170 107.618 108.800 -0.019 0.000 3.371 410 G HA2 -0.003 3.942 3.960 -0.025 0.000 0.248 410 G HA3 -0.003 3.942 3.960 -0.025 0.000 0.248 410 G C 0.530 175.419 174.900 -0.018 0.000 1.161 410 G CA -0.097 44.992 45.100 -0.018 0.000 0.796 410 G HN 0.177 nan 8.290 nan 0.000 0.539 411 S N -0.291 115.397 115.700 -0.021 0.000 2.585 411 S HA 0.095 4.550 4.470 -0.025 0.000 0.273 411 S C 1.072 175.660 174.600 -0.020 0.000 1.339 411 S CA -0.396 57.790 58.200 -0.023 0.000 1.028 411 S CB 0.848 64.030 63.200 -0.030 0.000 0.906 411 S HN 0.237 nan 8.310 nan 0.000 0.528 412 D N 0.961 121.348 120.400 -0.021 0.000 2.277 412 D HA -0.019 4.606 4.640 -0.025 0.000 0.208 412 D C 0.078 176.367 176.300 -0.017 0.000 0.962 412 D CA 0.675 54.664 54.000 -0.017 0.000 0.865 412 D CB -0.047 40.743 40.800 -0.017 0.000 0.939 412 D HN 0.601 nan 8.370 nan 0.000 0.510 413 D N 0.856 121.242 120.400 -0.024 0.000 2.339 413 D HA 0.048 4.673 4.640 -0.025 0.000 0.241 413 D C 1.631 177.919 176.300 -0.020 0.000 1.183 413 D CA -0.290 53.696 54.000 -0.025 0.000 0.859 413 D CB 0.833 41.609 40.800 -0.041 0.000 1.067 413 D HN 0.029 nan 8.370 nan 0.000 0.484 414 I N 3.193 123.758 120.570 -0.007 0.000 2.248 414 I HA -0.339 3.816 4.170 -0.025 0.000 0.248 414 I C 1.895 178.015 176.117 0.005 0.000 1.107 414 I CA 1.032 62.334 61.300 0.002 0.000 1.373 414 I CB -0.378 37.629 38.000 0.013 0.000 1.055 414 I HN 0.420 nan 8.210 nan 0.000 0.418 415 N N 0.356 119.058 118.700 0.003 0.000 2.244 415 N HA -0.115 4.610 4.740 -0.025 0.000 0.183 415 N C 1.872 177.357 175.510 -0.043 0.000 1.016 415 N CA 0.825 53.879 53.050 0.007 0.000 0.866 415 N CB 0.040 38.536 38.487 0.014 0.000 0.980 415 N HN 0.135 nan 8.380 nan 0.000 0.430 416 V N 0.593 120.468 119.914 -0.066 0.000 2.379 416 V HA -0.146 3.958 4.120 -0.025 0.000 0.245 416 V C 2.243 178.309 176.094 -0.047 0.000 1.044 416 V CA 1.103 63.352 62.300 -0.085 0.000 1.036 416 V CB -0.276 31.498 31.823 -0.081 0.000 0.664 416 V HN 0.112 nan 8.190 nan 0.000 0.453 417 V N 0.024 119.922 119.914 -0.027 0.000 2.287 417 V HA -0.309 3.796 4.120 -0.025 0.000 0.248 417 V C 2.576 178.669 176.094 -0.001 0.000 1.053 417 V CA 2.736 65.029 62.300 -0.013 0.000 1.027 417 V CB -1.236 30.583 31.823 -0.007 0.000 0.646 417 V HN 0.600 nan 8.190 nan 0.000 0.447 418 T N -0.977 113.583 114.554 0.011 0.000 2.652 418 T HA -0.269 4.066 4.350 -0.025 0.000 0.267 418 T C 1.977 176.699 174.700 0.036 0.000 1.039 418 T CA 2.088 64.207 62.100 0.030 0.000 1.153 418 T CB -0.598 68.300 68.868 0.051 0.000 0.863 418 T HN 0.529 nan 8.240 nan 0.000 0.428 419 C N 1.467 120.785 119.300 0.030 0.000 2.413 419 C HA 0.029 4.474 4.460 -0.025 0.000 0.276 419 C C 3.243 178.244 174.990 0.019 0.000 1.236 419 C CA 0.420 59.459 59.018 0.035 0.000 1.735 419 C CB -1.476 26.252 27.740 -0.019 0.000 2.031 419 C HN 0.679 nan 8.230 nan 0.000 0.474 420 A N 0.407 123.226 122.820 -0.003 0.000 1.908 420 A HA -0.040 4.265 4.320 -0.025 0.000 0.218 420 A C 2.351 179.939 177.584 0.008 0.000 1.181 420 A CA 2.342 54.377 52.037 -0.003 0.000 0.627 420 A CB -0.937 18.054 19.000 -0.015 0.000 0.818 420 A HN 0.614 nan 8.150 nan 0.000 0.445 421 A N -0.638 122.189 122.820 0.011 0.000 1.898 421 A HA 0.165 4.470 4.320 -0.025 0.000 0.216 421 A C 2.424 180.022 177.584 0.023 0.000 1.181 421 A CA 1.865 53.909 52.037 0.013 0.000 0.620 421 A CB -1.383 17.623 19.000 0.011 0.000 0.819 421 A HN 0.739 nan 8.150 nan 0.000 0.442 422 G N 0.279 109.100 108.800 0.035 0.000 2.446 422 G HA2 -0.220 3.725 3.960 -0.025 0.000 0.217 422 G HA3 -0.220 3.725 3.960 -0.025 0.000 0.217 422 G C 1.519 176.450 174.900 0.052 0.000 1.168 422 G CA 1.216 46.345 45.100 0.048 0.000 0.771 422 G HN 0.486 nan 8.290 nan 0.000 0.551 423 I N 0.302 120.900 120.570 0.046 0.000 2.226 423 I HA -0.119 4.036 4.170 -0.025 0.000 0.245 423 I C 2.689 178.830 176.117 0.041 0.000 1.100 423 I CA 0.643 61.968 61.300 0.043 0.000 1.374 423 I CB -0.225 37.794 38.000 0.032 0.000 1.057 423 I HN 0.112 nan 8.210 nan 0.000 0.413 424 L N -0.256 120.986 121.223 0.033 0.000 2.141 424 L HA -0.196 4.129 4.340 -0.025 0.000 0.209 424 L C 2.739 179.649 176.870 0.068 0.000 1.094 424 L CA 1.091 55.952 54.840 0.035 0.000 0.763 424 L CB -0.475 41.595 42.059 0.018 0.000 0.908 424 L HN 0.234 nan 8.230 nan 0.000 0.437 425 S N 0.228 115.970 115.700 0.069 0.000 2.348 425 S HA -0.171 4.284 4.470 -0.025 0.000 0.221 425 S C 1.834 176.567 174.600 0.222 0.000 1.033 425 S CA 1.678 59.945 58.200 0.111 0.000 1.010 425 S CB -0.159 63.071 63.200 0.050 0.000 0.891 425 S HN 0.463 nan 8.310 nan 0.000 0.442 426 N N 1.379 120.158 118.700 0.133 0.000 2.244 426 N HA 0.052 4.777 4.740 -0.025 0.000 0.183 426 N C 1.667 177.211 175.510 0.056 0.000 1.016 426 N CA 0.853 53.962 53.050 0.100 0.000 0.866 426 N CB -0.504 38.023 38.487 0.068 0.000 0.980 426 N HN 0.427 nan 8.380 nan 0.000 0.430 427 L N 0.558 121.811 121.223 0.050 0.000 2.313 427 L HA -0.005 4.320 4.340 -0.025 0.000 0.214 427 L C 1.643 178.514 176.870 0.003 0.000 1.119 427 L CA 1.059 55.908 54.840 0.015 0.000 0.809 427 L CB -0.496 41.567 42.059 0.007 0.000 0.933 427 L HN 0.244 nan 8.230 nan 0.000 0.449 428 T N -4.673 109.912 114.554 0.051 0.000 3.122 428 T HA 0.048 4.383 4.350 -0.025 0.000 0.250 428 T C 0.539 175.199 174.700 -0.066 0.000 1.067 428 T CA -0.415 61.707 62.100 0.037 0.000 0.966 428 T CB -0.609 68.325 68.868 0.109 0.000 1.002 428 T HN 0.195 nan 8.240 nan 0.000 0.542 429 C N 2.772 121.960 119.300 -0.187 0.000 2.464 429 C HA 0.473 4.918 4.460 -0.025 0.000 0.370 429 C C 0.918 175.769 174.990 -0.231 0.000 1.267 429 C CA -0.338 58.370 59.018 -0.515 0.000 1.781 429 C CB -2.081 25.430 27.740 -0.382 0.000 2.431 429 C HN 0.800 nan 8.230 nan 0.000 0.556 430 N N 2.971 121.557 118.700 -0.190 0.000 2.741 430 N HA -0.196 4.528 4.740 -0.025 0.000 0.250 430 N C -0.773 174.730 175.510 -0.011 0.000 1.115 430 N CA 1.239 54.254 53.050 -0.059 0.000 0.724 430 N CB -1.036 37.422 38.487 -0.047 0.000 1.090 430 N HN 0.848 nan 8.380 nan 0.000 0.558 431 N N 0.196 118.881 118.700 -0.025 0.000 2.664 431 N HA 0.103 4.828 4.740 -0.025 0.000 0.257 431 N C 0.790 176.270 175.510 -0.050 0.000 1.108 431 N CA -0.497 52.524 53.050 -0.048 0.000 0.822 431 N CB 0.241 38.673 38.487 -0.090 0.000 1.199 431 N HN 0.278 nan 8.380 nan 0.000 0.529 432 Y N 2.730 123.019 120.300 -0.018 0.000 2.256 432 Y HA -0.080 4.454 4.550 -0.025 0.000 0.288 432 Y C 1.526 177.404 175.900 -0.035 0.000 1.155 432 Y CA 1.217 59.313 58.100 -0.005 0.000 1.203 432 Y CB -0.103 38.390 38.460 0.056 0.000 0.980 432 Y HN 0.220 nan 8.280 nan 0.000 0.530 433 K N 0.517 120.539 120.400 -0.630 0.000 2.002 433 K HA -0.146 4.159 4.320 -0.025 0.000 0.209 433 K C 1.798 178.277 176.600 -0.203 0.000 1.048 433 K CA 1.557 57.590 56.287 -0.424 0.000 0.930 433 K CB -0.292 31.914 32.500 -0.491 0.000 0.714 433 K HN 0.301 nan 8.250 nan 0.000 0.438 434 N N 1.305 119.895 118.700 -0.184 0.000 2.149 434 N HA -0.142 4.583 4.740 -0.025 0.000 0.188 434 N C 1.457 176.894 175.510 -0.122 0.000 1.019 434 N CA 1.230 54.209 53.050 -0.119 0.000 0.857 434 N CB -0.080 38.352 38.487 -0.091 0.000 0.997 434 N HN 0.229 nan 8.380 nan 0.000 0.426 435 K N 0.399 120.696 120.400 -0.173 0.000 2.026 435 K HA -0.007 4.298 4.320 -0.025 0.000 0.208 435 K C 2.100 178.504 176.600 -0.328 0.000 1.048 435 K CA 1.072 57.175 56.287 -0.306 0.000 0.929 435 K CB -0.166 32.006 32.500 -0.547 0.000 0.713 435 K HN 0.176 nan 8.250 nan 0.000 0.439 436 M N -0.009 119.463 119.600 -0.214 0.000 2.159 436 M HA -0.154 4.311 4.480 -0.025 0.000 0.263 436 M C 2.358 178.647 176.300 -0.018 0.000 1.063 436 M CA 1.194 56.475 55.300 -0.032 0.000 1.110 436 M CB -0.129 32.521 32.600 0.083 0.000 1.374 436 M HN 0.152 nan 8.290 nan 0.000 0.411 437 M N 0.039 119.613 119.600 -0.043 0.000 2.067 437 M HA -0.138 4.327 4.480 -0.025 0.000 0.260 437 M C 2.211 178.496 176.300 -0.024 0.000 1.069 437 M CA 1.580 56.862 55.300 -0.029 0.000 1.117 437 M CB -0.834 31.741 32.600 -0.041 0.000 1.334 437 M HN 0.087 nan 8.290 nan 0.000 0.407 438 V N -0.463 119.428 119.914 -0.038 0.000 2.332 438 V HA -0.369 3.736 4.120 -0.025 0.000 0.248 438 V C 2.588 178.676 176.094 -0.009 0.000 1.055 438 V CA 1.857 64.142 62.300 -0.025 0.000 1.038 438 V CB -0.926 30.881 31.823 -0.028 0.000 0.651 438 V HN 0.526 nan 8.190 nan 0.000 0.450 439 C N -0.804 118.494 119.300 -0.003 0.000 2.425 439 C HA -0.194 4.251 4.460 -0.025 0.000 0.277 439 C C 2.834 177.846 174.990 0.037 0.000 1.280 439 C CA 1.086 60.126 59.018 0.037 0.000 1.744 439 C CB -1.066 26.730 27.740 0.093 0.000 1.989 439 C HN 0.604 nan 8.230 nan 0.000 0.491 440 Q N 0.190 120.008 119.800 0.030 0.000 2.170 440 Q HA -0.124 4.201 4.340 -0.025 0.000 0.203 440 Q C 1.750 177.760 176.000 0.017 0.000 0.976 440 Q CA 1.659 57.478 55.803 0.028 0.000 0.858 440 Q CB -0.086 28.666 28.738 0.023 0.000 0.907 440 Q HN 0.752 nan 8.270 nan 0.000 0.433 441 V N -3.375 116.543 119.914 0.006 0.000 3.252 441 V HA 0.477 4.582 4.120 -0.025 0.000 0.350 441 V C 0.727 176.818 176.094 -0.005 0.000 1.329 441 V CA 0.362 62.662 62.300 -0.000 0.000 1.258 441 V CB -0.375 31.444 31.823 -0.007 0.000 1.208 441 V HN 0.354 nan 8.190 nan 0.000 0.462 442 G N -0.202 108.597 108.800 -0.002 0.000 2.160 442 G HA2 -0.204 3.741 3.960 -0.025 0.000 0.244 442 G HA3 -0.204 3.741 3.960 -0.025 0.000 0.244 442 G C 0.916 175.795 174.900 -0.035 0.000 1.022 442 G CA 0.271 45.359 45.100 -0.020 0.000 0.741 442 G HN 1.188 nan 8.290 nan 0.000 0.508 443 G N 0.278 109.067 108.800 -0.018 0.000 2.440 443 G HA2 -0.094 3.851 3.960 -0.025 0.000 0.218 443 G HA3 -0.094 3.851 3.960 -0.025 0.000 0.218 443 G C 1.750 176.636 174.900 -0.025 0.000 1.154 443 G CA 1.392 46.480 45.100 -0.019 0.000 0.767 443 G HN 0.493 nan 8.290 nan 0.000 0.552 444 I N 1.000 121.561 120.570 -0.015 0.000 2.142 444 I HA -0.146 4.009 4.170 -0.025 0.000 0.240 444 I C 2.515 178.585 176.117 -0.080 0.000 1.078 444 I CA 1.513 62.807 61.300 -0.010 0.000 1.343 444 I CB -1.135 36.890 38.000 0.043 0.000 1.046 444 I HN 0.367 nan 8.210 nan 0.000 0.405 445 E N 0.980 121.055 120.200 -0.209 0.000 2.077 445 E HA -0.204 4.131 4.350 -0.025 0.000 0.193 445 E C 2.295 178.788 176.600 -0.178 0.000 0.989 445 E CA 1.433 57.596 56.400 -0.395 0.000 0.800 445 E CB 0.060 29.384 29.700 -0.628 0.000 0.746 445 E HN 0.430 nan 8.360 nan 0.000 0.452 446 A N 0.884 123.636 122.820 -0.114 0.000 1.933 446 A HA -0.153 4.151 4.320 -0.025 0.000 0.218 446 A C 2.174 179.734 177.584 -0.040 0.000 1.175 446 A CA 1.103 53.102 52.037 -0.063 0.000 0.628 446 A CB -0.559 18.414 19.000 -0.046 0.000 0.814 446 A HN 0.301 nan 8.150 nan 0.000 0.444 447 L N -0.804 120.399 121.223 -0.033 0.000 2.109 447 L HA -0.108 4.217 4.340 -0.025 0.000 0.207 447 L C 2.466 179.334 176.870 -0.004 0.000 1.086 447 L CA 0.708 55.539 54.840 -0.014 0.000 0.760 447 L CB -0.362 41.692 42.059 -0.009 0.000 0.910 447 L HN 0.235 nan 8.230 nan 0.000 0.437 448 V N -0.166 119.746 119.914 -0.003 0.000 2.427 448 V HA -0.249 3.856 4.120 -0.025 0.000 0.248 448 V C 2.575 178.681 176.094 0.020 0.000 1.051 448 V CA 1.618 63.933 62.300 0.024 0.000 1.048 448 V CB -0.585 31.271 31.823 0.055 0.000 0.666 448 V HN 0.404 nan 8.190 nan 0.000 0.456 449 R N -0.342 120.158 120.500 -0.001 0.000 2.081 449 R HA -0.131 4.194 4.340 -0.025 0.000 0.235 449 R C 2.417 178.718 176.300 0.001 0.000 1.131 449 R CA 1.876 57.976 56.100 -0.000 0.000 0.960 449 R CB -0.707 29.583 30.300 -0.017 0.000 0.856 449 R HN 0.469 nan 8.270 nan 0.000 0.436 450 T N 0.714 115.266 114.554 -0.002 0.000 2.746 450 T HA -0.107 4.228 4.350 -0.025 0.000 0.267 450 T C 1.977 176.681 174.700 0.008 0.000 1.039 450 T CA 1.372 63.472 62.100 0.001 0.000 1.142 450 T CB -0.144 68.723 68.868 -0.002 0.000 0.866 450 T HN -0.001 nan 8.240 nan 0.000 0.444 451 V N 1.613 121.534 119.914 0.012 0.000 2.295 451 V HA -0.118 3.987 4.120 -0.025 0.000 0.246 451 V C 2.504 178.610 176.094 0.020 0.000 1.049 451 V CA 1.183 63.494 62.300 0.018 0.000 1.024 451 V CB -0.652 31.185 31.823 0.024 0.000 0.648 451 V HN 0.334 nan 8.190 nan 0.000 0.447 452 L N 0.059 121.295 121.223 0.021 0.000 2.017 452 L HA -0.151 4.174 4.340 -0.025 0.000 0.208 452 L C 2.562 179.439 176.870 0.011 0.000 1.073 452 L CA 2.058 56.909 54.840 0.019 0.000 0.745 452 L CB -1.453 40.617 42.059 0.018 0.000 0.894 452 L HN 0.365 nan 8.230 nan 0.000 0.432 453 R N -0.318 120.187 120.500 0.008 0.000 2.115 453 R HA -0.112 4.213 4.340 -0.025 0.000 0.230 453 R C 2.113 178.418 176.300 0.008 0.000 1.111 453 R CA 1.249 57.352 56.100 0.005 0.000 0.976 453 R CB -0.022 30.279 30.300 0.001 0.000 0.870 453 R HN 0.300 nan 8.270 nan 0.000 0.445 454 A N 0.384 123.211 122.820 0.012 0.000 1.969 454 A HA 0.113 4.418 4.320 -0.025 0.000 0.218 454 A C 1.523 179.118 177.584 0.017 0.000 1.169 454 A CA 1.427 53.473 52.037 0.015 0.000 0.635 454 A CB -0.783 18.228 19.000 0.018 0.000 0.810 454 A HN 0.669 nan 8.150 nan 0.000 0.445 455 G N 0.520 109.330 108.800 0.016 0.000 2.596 455 G HA2 -0.438 3.507 3.960 -0.025 0.000 0.304 455 G HA3 -0.438 3.507 3.960 -0.025 0.000 0.304 455 G C 0.436 175.348 174.900 0.020 0.000 1.189 455 G CA 1.056 46.165 45.100 0.016 0.000 0.986 455 G HN 1.021 nan 8.290 nan 0.000 0.548 456 D N 1.103 121.516 120.400 0.021 0.000 2.328 456 D HA 0.121 4.746 4.640 -0.025 0.000 0.226 456 D C 1.203 177.528 176.300 0.041 0.000 1.066 456 D CA 0.101 54.118 54.000 0.029 0.000 0.861 456 D CB -0.211 40.604 40.800 0.026 0.000 0.912 456 D HN 0.574 nan 8.370 nan 0.000 0.521 457 R N 1.172 121.693 120.500 0.035 0.000 2.612 457 R HA 0.163 4.488 4.340 -0.025 0.000 0.273 457 R C 0.495 176.820 176.300 0.042 0.000 1.376 457 R CA -0.052 56.071 56.100 0.038 0.000 1.171 457 R CB 0.218 30.536 30.300 0.030 0.000 1.151 457 R HN 0.268 nan 8.270 nan 0.000 0.560 458 E N 0.981 121.215 120.200 0.056 0.000 2.333 458 E HA -0.182 4.153 4.350 -0.025 0.000 0.198 458 E C 0.503 177.132 176.600 0.047 0.000 1.007 458 E CA 0.681 57.117 56.400 0.060 0.000 0.845 458 E CB 0.199 29.956 29.700 0.095 0.000 0.766 458 E HN 0.491 nan 8.360 nan 0.000 0.507 459 D N 0.235 120.659 120.400 0.040 0.000 2.310 459 D HA -0.060 4.565 4.640 -0.025 0.000 0.212 459 D C 1.671 177.994 176.300 0.038 0.000 0.965 459 D CA 0.809 54.831 54.000 0.038 0.000 0.879 459 D CB 0.211 41.034 40.800 0.039 0.000 0.921 459 D HN 0.301 nan 8.370 nan 0.000 0.510 460 I N 0.090 120.681 120.570 0.035 0.000 3.039 460 I HA -0.112 4.043 4.170 -0.025 0.000 0.270 460 I C 2.407 178.539 176.117 0.025 0.000 1.150 460 I CA 0.738 62.055 61.300 0.029 0.000 1.448 460 I CB -0.128 37.887 38.000 0.025 0.000 1.197 460 I HN -0.063 nan 8.210 nan 0.000 0.450 461 T N -1.667 112.904 114.554 0.027 0.000 2.821 461 T HA -0.122 4.213 4.350 -0.025 0.000 0.267 461 T C 1.709 176.422 174.700 0.022 0.000 1.046 461 T CA 0.928 63.042 62.100 0.024 0.000 1.139 461 T CB -0.248 68.637 68.868 0.028 0.000 0.871 461 T HN 0.226 nan 8.240 nan 0.000 0.454 462 E N 1.855 122.073 120.200 0.030 0.000 2.023 462 E HA -0.100 4.235 4.350 -0.025 0.000 0.196 462 E C -0.260 176.348 176.600 0.013 0.000 1.003 462 E CA 1.800 58.219 56.400 0.031 0.000 0.809 462 E CB -0.823 28.904 29.700 0.045 0.000 0.755 462 E HN 0.453 nan 8.360 nan 0.000 0.449 463 P HA -0.080 nan 4.420 nan 0.000 0.219 463 P C 1.109 178.397 177.300 -0.021 0.000 1.150 463 P CA 1.557 64.658 63.100 0.001 0.000 0.814 463 P CB -0.021 31.692 31.700 0.021 0.000 0.787 464 A N 0.346 123.161 122.820 -0.009 0.000 1.898 464 A HA -0.108 4.197 4.320 -0.025 0.000 0.216 464 A C 2.271 179.839 177.584 -0.027 0.000 1.181 464 A CA 1.180 53.209 52.037 -0.014 0.000 0.620 464 A CB -1.291 17.708 19.000 -0.000 0.000 0.819 464 A HN 0.025 nan 8.150 nan 0.000 0.442 465 I N -0.276 120.281 120.570 -0.021 0.000 2.394 465 I HA -0.210 3.945 4.170 -0.025 0.000 0.251 465 I C 2.477 178.551 176.117 -0.071 0.000 1.136 465 I CA 0.870 62.156 61.300 -0.024 0.000 1.425 465 I CB -1.416 36.584 38.000 -0.001 0.000 1.079 465 I HN 0.362 nan 8.210 nan 0.000 0.425 466 C N 0.729 119.964 119.300 -0.109 0.000 2.446 466 C HA -0.084 4.361 4.460 -0.025 0.000 0.277 466 C C 3.142 177.839 174.990 -0.488 0.000 1.275 466 C CA 0.907 59.774 59.018 -0.252 0.000 1.727 466 C CB -1.103 26.518 27.740 -0.197 0.000 2.010 466 C HN 0.583 nan 8.230 nan 0.000 0.486 467 A N 0.431 123.083 122.820 -0.281 0.000 1.877 467 A HA -0.143 4.162 4.320 -0.025 0.000 0.216 467 A C 2.087 179.607 177.584 -0.108 0.000 1.186 467 A CA 1.563 53.488 52.037 -0.187 0.000 0.620 467 A CB -0.724 18.245 19.000 -0.053 0.000 0.822 467 A HN 0.600 nan 8.150 nan 0.000 0.443 468 L N -1.060 120.123 121.223 -0.067 0.000 2.079 468 L HA -0.225 4.100 4.340 -0.025 0.000 0.210 468 L C 2.808 179.683 176.870 0.009 0.000 1.081 468 L CA 1.826 56.660 54.840 -0.009 0.000 0.752 468 L CB -0.436 41.625 42.059 0.002 0.000 0.896 468 L HN 0.483 nan 8.230 nan 0.000 0.433 469 R N -0.562 119.912 120.500 -0.044 0.000 2.066 469 R HA -0.163 4.162 4.340 -0.025 0.000 0.232 469 R C 2.269 178.643 176.300 0.123 0.000 1.131 469 R CA 1.631 57.741 56.100 0.017 0.000 0.955 469 R CB -0.282 30.010 30.300 -0.014 0.000 0.851 469 R HN 0.490 nan 8.270 nan 0.000 0.432 470 H N -0.100 119.007 119.070 0.061 0.000 2.353 470 H HA -0.099 4.442 4.556 -0.026 0.000 0.300 470 H C 2.008 177.386 175.328 0.084 0.000 1.090 470 H CA 1.335 57.421 56.048 0.063 0.000 1.327 470 H CB 0.019 29.803 29.762 0.037 0.000 1.383 470 H HN 0.196 nan 8.280 nan 0.000 0.508 471 L N 0.678 122.015 121.223 0.189 0.000 2.465 471 L HA -0.049 4.276 4.340 -0.025 0.000 0.224 471 L C 1.572 178.623 176.870 0.302 0.000 1.145 471 L CA 0.941 55.886 54.840 0.175 0.000 0.834 471 L CB -0.109 42.012 42.059 0.103 0.000 0.944 471 L HN 0.373 nan 8.230 nan 0.000 0.451 472 T N -4.063 110.613 114.554 0.204 0.000 3.186 472 T HA 0.235 4.570 4.350 -0.025 0.000 0.257 472 T C 0.396 175.162 174.700 0.109 0.000 1.029 472 T CA -0.012 62.174 62.100 0.144 0.000 0.916 472 T CB -0.057 68.863 68.868 0.087 0.000 1.041 472 T HN 0.251 nan 8.240 nan 0.000 0.562 473 S N 0.567 116.370 115.700 0.172 0.000 2.565 473 S HA 0.551 5.006 4.470 -0.025 0.000 0.269 473 S C -0.698 174.005 174.600 0.172 0.000 1.153 473 S CA -1.214 57.054 58.200 0.113 0.000 0.835 473 S CB 1.314 64.574 63.200 0.101 0.000 1.122 473 S HN 0.324 nan 8.310 nan 0.000 0.462 474 R N 0.879 121.428 120.500 0.080 0.000 3.188 474 R HA -0.205 4.120 4.340 -0.025 0.000 0.247 474 R C -0.523 175.890 176.300 0.188 0.000 0.918 474 R CA 1.624 57.779 56.100 0.091 0.000 0.629 474 R CB -2.838 27.517 30.300 0.093 0.000 1.087 474 R HN 1.130 nan 8.270 nan 0.000 0.462 475 H N -4.669 114.423 119.070 0.038 0.000 3.005 475 H HA 0.156 4.696 4.556 -0.025 0.000 0.311 475 H C 0.362 175.714 175.328 0.039 0.000 1.366 475 H CA -0.757 55.328 56.048 0.061 0.000 1.210 475 H CB 0.498 30.338 29.762 0.130 0.000 1.894 475 H HN -0.055 nan 8.280 nan 0.000 0.520 476 Q N -0.148 119.706 119.800 0.089 0.000 2.133 476 Q HA -0.151 4.174 4.340 -0.025 0.000 0.208 476 Q C 0.532 176.486 176.000 -0.077 0.000 0.991 476 Q CA 1.945 57.755 55.803 0.012 0.000 0.867 476 Q CB 0.039 28.833 28.738 0.093 0.000 0.911 476 Q HN 0.580 nan 8.270 nan 0.000 0.417 477 E N -0.647 119.527 120.200 -0.042 0.000 2.444 477 E HA 0.127 4.462 4.350 -0.025 0.000 0.191 477 E C 1.268 177.697 176.600 -0.285 0.000 1.041 477 E CA 0.256 56.629 56.400 -0.044 0.000 0.883 477 E CB 0.313 30.140 29.700 0.212 0.000 1.024 477 E HN 0.305 nan 8.360 nan 0.000 0.470 478 A N 1.248 123.542 122.820 -0.878 0.000 1.917 478 A HA -0.267 4.038 4.320 -0.025 0.000 0.219 478 A C 2.150 179.630 177.584 -0.173 0.000 1.182 478 A CA 1.857 53.562 52.037 -0.553 0.000 0.633 478 A CB -0.341 18.384 19.000 -0.459 0.000 0.819 478 A HN 0.315 nan 8.150 nan 0.000 0.448 479 E N -0.819 119.291 120.200 -0.149 0.000 2.110 479 E HA -0.210 4.125 4.350 -0.025 0.000 0.193 479 E C 2.016 178.590 176.600 -0.044 0.000 0.988 479 E CA 1.352 57.705 56.400 -0.079 0.000 0.804 479 E CB -0.207 29.450 29.700 -0.072 0.000 0.745 479 E HN 0.633 nan 8.360 nan 0.000 0.458 480 M N 0.617 120.199 119.600 -0.029 0.000 2.175 480 M HA -0.102 4.363 4.480 -0.025 0.000 0.264 480 M C 2.125 178.445 176.300 0.034 0.000 1.063 480 M CA 1.887 57.192 55.300 0.008 0.000 1.119 480 M CB -0.484 32.134 32.600 0.030 0.000 1.377 480 M HN 0.161 nan 8.290 nan 0.000 0.415 481 A N 0.498 123.350 122.820 0.053 0.000 1.902 481 A HA -0.215 4.090 4.320 -0.025 0.000 0.217 481 A C 1.948 179.566 177.584 0.058 0.000 1.181 481 A CA 1.804 53.894 52.037 0.087 0.000 0.623 481 A CB -0.804 18.286 19.000 0.151 0.000 0.818 481 A HN 0.738 nan 8.150 nan 0.000 0.443 482 Q N -0.777 119.039 119.800 0.025 0.000 2.124 482 Q HA -0.196 4.129 4.340 -0.025 0.000 0.202 482 Q C 1.970 177.966 176.000 -0.007 0.000 0.977 482 Q CA 1.701 57.508 55.803 0.007 0.000 0.850 482 Q CB -0.222 28.505 28.738 -0.019 0.000 0.901 482 Q HN 0.733 nan 8.270 nan 0.000 0.429 483 N N -0.092 118.599 118.700 -0.014 0.000 2.207 483 N HA -0.052 4.673 4.740 -0.025 0.000 0.182 483 N C 1.500 176.996 175.510 -0.024 0.000 1.020 483 N CA 1.086 54.116 53.050 -0.033 0.000 0.858 483 N CB -0.097 38.367 38.487 -0.039 0.000 0.991 483 N HN 0.252 nan 8.380 nan 0.000 0.427 484 A N 0.035 122.871 122.820 0.028 0.000 1.940 484 A HA -0.110 4.195 4.320 -0.025 0.000 0.219 484 A C 2.256 179.931 177.584 0.151 0.000 1.176 484 A CA 1.312 53.411 52.037 0.103 0.000 0.631 484 A CB -0.856 18.258 19.000 0.190 0.000 0.814 484 A HN 0.146 nan 8.150 nan 0.000 0.446 485 V N 0.047 120.019 119.914 0.096 0.000 2.343 485 V HA -0.274 3.831 4.120 -0.025 0.000 0.247 485 V C 2.662 178.780 176.094 0.039 0.000 1.051 485 V CA 2.366 64.720 62.300 0.090 0.000 1.036 485 V CB -0.801 31.056 31.823 0.058 0.000 0.654 485 V HN 0.722 nan 8.190 nan 0.000 0.451 486 R N -0.021 120.464 120.500 -0.025 0.000 2.075 486 R HA -0.087 4.238 4.340 -0.025 0.000 0.232 486 R C 2.237 178.410 176.300 -0.211 0.000 1.126 486 R CA 1.483 57.528 56.100 -0.093 0.000 0.963 486 R CB -0.271 29.971 30.300 -0.096 0.000 0.858 486 R HN 0.458 nan 8.270 nan 0.000 0.435 487 L N -0.044 121.038 121.223 -0.236 0.000 2.275 487 L HA -0.123 4.202 4.340 -0.025 0.000 0.215 487 L C 1.298 177.841 176.870 -0.545 0.000 1.119 487 L CA 0.768 55.361 54.840 -0.412 0.000 0.790 487 L CB -0.324 41.501 42.059 -0.390 0.000 0.919 487 L HN 0.317 nan 8.230 nan 0.000 0.443 488 H N -0.982 118.042 119.070 -0.077 0.000 2.524 488 H HA 0.104 4.645 4.556 -0.025 0.000 0.299 488 H C -0.316 175.179 175.328 0.278 0.000 1.074 488 H CA -0.410 55.715 56.048 0.129 0.000 1.115 488 H CB -0.107 29.718 29.762 0.106 0.000 1.522 488 H HN 0.225 nan 8.280 nan 0.000 0.543 489 Y N -0.485 119.849 120.300 0.057 0.000 3.305 489 Y HA -0.249 4.286 4.550 -0.026 0.000 0.212 489 Y C 1.735 177.667 175.900 0.052 0.000 1.248 489 Y CA 0.570 58.696 58.100 0.042 0.000 1.359 489 Y CB -1.851 36.632 38.460 0.038 0.000 1.407 489 Y HN 0.402 nan 8.280 nan 0.000 0.572 490 G N -0.805 108.074 108.800 0.132 0.000 2.719 490 G HA2 0.062 4.007 3.960 -0.025 0.000 0.211 490 G HA3 0.062 4.007 3.960 -0.025 0.000 0.211 490 G C 1.413 176.356 174.900 0.073 0.000 1.140 490 G CA 0.439 45.603 45.100 0.106 0.000 0.790 490 G HN 0.441 nan 8.290 nan 0.000 0.529 491 L N 0.733 121.986 121.223 0.050 0.000 2.012 491 L HA -0.063 4.262 4.340 -0.025 0.000 0.210 491 L C 0.012 176.915 176.870 0.055 0.000 1.073 491 L CA 1.393 56.258 54.840 0.042 0.000 0.748 491 L CB -1.309 40.762 42.059 0.020 0.000 0.891 491 L HN 0.151 nan 8.230 nan 0.000 0.431 492 P HA -0.158 nan 4.420 nan 0.000 0.215 492 P C 2.010 179.351 177.300 0.069 0.000 1.157 492 P CA 1.108 64.249 63.100 0.068 0.000 0.863 492 P CB 0.050 31.796 31.700 0.076 0.000 0.787 493 V N -0.294 119.662 119.914 0.071 0.000 2.343 493 V HA -0.194 3.911 4.120 -0.025 0.000 0.247 493 V C 2.163 178.292 176.094 0.058 0.000 1.051 493 V CA 1.851 64.188 62.300 0.062 0.000 1.036 493 V CB -0.923 30.936 31.823 0.060 0.000 0.654 493 V HN -0.109 nan 8.190 nan 0.000 0.451 494 V N -0.305 119.642 119.914 0.056 0.000 2.343 494 V HA -0.197 3.908 4.120 -0.025 0.000 0.247 494 V C 2.465 178.586 176.094 0.045 0.000 1.051 494 V CA 2.121 64.448 62.300 0.046 0.000 1.036 494 V CB -0.309 31.540 31.823 0.043 0.000 0.654 494 V HN 0.467 nan 8.190 nan 0.000 0.451 495 V N -0.490 119.460 119.914 0.059 0.000 2.427 495 V HA -0.226 3.879 4.120 -0.025 0.000 0.248 495 V C 2.355 178.514 176.094 0.109 0.000 1.051 495 V CA 1.779 64.118 62.300 0.066 0.000 1.048 495 V CB -0.660 31.214 31.823 0.085 0.000 0.666 495 V HN 0.517 nan 8.190 nan 0.000 0.456 496 K N -0.060 120.426 120.400 0.143 0.000 2.147 496 K HA -0.060 4.245 4.320 -0.025 0.000 0.205 496 K C 1.949 178.644 176.600 0.158 0.000 1.049 496 K CA 1.105 57.527 56.287 0.224 0.000 0.936 496 K CB -0.249 32.318 32.500 0.111 0.000 0.722 496 K HN 0.375 nan 8.250 nan 0.000 0.446 497 L N 0.861 122.121 121.223 0.062 0.000 2.353 497 L HA -0.150 4.175 4.340 -0.025 0.000 0.220 497 L C 1.864 178.706 176.870 -0.046 0.000 1.133 497 L CA 0.682 55.531 54.840 0.015 0.000 0.798 497 L CB -0.339 41.728 42.059 0.014 0.000 0.922 497 L HN 0.227 nan 8.230 nan 0.000 0.445 498 L N -1.375 119.782 121.223 -0.110 0.000 2.376 498 L HA -0.065 4.260 4.340 -0.025 0.000 0.219 498 L C 1.026 177.672 176.870 -0.374 0.000 1.133 498 L CA 0.268 54.959 54.840 -0.248 0.000 0.816 498 L CB -0.450 41.413 42.059 -0.327 0.000 0.933 498 L HN 0.333 nan 8.230 nan 0.000 0.449 499 H N -0.061 118.965 119.070 -0.073 0.000 2.508 499 H HA 0.301 4.842 4.556 -0.025 0.000 0.344 499 H C -1.996 173.252 175.328 -0.133 0.000 1.192 499 H CA -2.147 53.844 56.048 -0.094 0.000 1.290 499 H CB 0.599 30.325 29.762 -0.060 0.000 1.571 499 H HN -0.147 nan 8.280 nan 0.000 0.555 500 P HA 0.017 nan 4.420 nan 0.000 0.270 500 P C -1.886 175.375 177.300 -0.065 0.000 1.223 500 P CA -1.120 61.912 63.100 -0.113 0.000 0.785 500 P CB 0.121 31.755 31.700 -0.110 0.000 0.923 501 P HA 0.066 nan 4.420 nan 0.000 0.259 501 P C -0.182 176.931 177.300 -0.312 0.000 1.480 501 P CA 0.064 63.051 63.100 -0.188 0.000 0.842 501 P CB -0.031 31.603 31.700 -0.111 0.000 1.513 502 S N 0.602 116.153 115.700 -0.249 0.000 2.562 502 S HA 0.131 4.586 4.470 -0.025 0.000 0.281 502 S C 0.495 174.838 174.600 -0.428 0.000 1.333 502 S CA -0.187 57.869 58.200 -0.239 0.000 1.052 502 S CB 0.274 63.386 63.200 -0.146 0.000 0.884 502 S HN 0.306 nan 8.310 nan 0.000 0.506 503 H N 0.450 119.445 119.070 -0.125 0.000 2.523 503 H HA 0.134 4.685 4.556 -0.007 0.000 0.345 503 H C 0.543 175.790 175.328 -0.135 0.000 1.261 503 H CA -0.594 55.363 56.048 -0.152 0.000 1.343 503 H CB 0.397 30.145 29.762 -0.024 0.000 1.650 503 H HN 0.781 nan 8.280 nan 0.000 0.591 504 W N 0.763 122.160 121.300 0.160 0.000 2.338 504 W HA -0.106 4.530 4.660 -0.040 0.000 0.304 504 W C -0.500 176.075 176.519 0.093 0.000 1.212 504 W CA 0.771 58.178 57.345 0.103 0.000 1.264 504 W CB -1.308 28.213 29.460 0.101 0.000 1.142 504 W HN 0.597 nan 8.180 nan 0.000 0.512 505 P HA -0.200 nan 4.420 nan 0.000 0.215 505 P C 1.722 179.120 177.300 0.164 0.000 1.153 505 P CA 1.384 64.614 63.100 0.218 0.000 0.853 505 P CB -0.327 31.468 31.700 0.158 0.000 0.788 506 L N -0.448 120.856 121.223 0.135 0.000 2.046 506 L HA -0.088 4.237 4.340 -0.025 0.000 0.208 506 L C 2.456 179.374 176.870 0.079 0.000 1.077 506 L CA 1.586 56.478 54.840 0.087 0.000 0.747 506 L CB -1.319 40.779 42.059 0.066 0.000 0.896 506 L HN -0.194 nan 8.230 nan 0.000 0.432 507 I N -0.292 120.329 120.570 0.085 0.000 2.226 507 I HA -0.334 3.821 4.170 -0.025 0.000 0.245 507 I C 2.576 178.783 176.117 0.149 0.000 1.100 507 I CA 1.728 63.074 61.300 0.078 0.000 1.374 507 I CB -0.410 37.606 38.000 0.028 0.000 1.057 507 I HN 0.363 nan 8.210 nan 0.000 0.413 508 K N 1.453 121.981 120.400 0.212 0.000 2.026 508 K HA -0.202 4.103 4.320 -0.025 0.000 0.208 508 K C 2.184 178.857 176.600 0.121 0.000 1.048 508 K CA 1.639 58.035 56.287 0.182 0.000 0.929 508 K CB -0.134 32.477 32.500 0.186 0.000 0.713 508 K HN 0.277 nan 8.250 nan 0.000 0.439 509 A N 0.412 123.293 122.820 0.101 0.000 1.930 509 A HA -0.114 4.191 4.320 -0.025 0.000 0.217 509 A C 2.161 179.777 177.584 0.053 0.000 1.175 509 A CA 2.076 54.153 52.037 0.067 0.000 0.627 509 A CB -0.935 18.093 19.000 0.047 0.000 0.815 509 A HN 0.462 nan 8.150 nan 0.000 0.443 510 T N -0.436 114.150 114.554 0.054 0.000 2.821 510 T HA -0.091 4.244 4.350 -0.025 0.000 0.267 510 T C 1.852 176.580 174.700 0.047 0.000 1.046 510 T CA 1.412 63.537 62.100 0.040 0.000 1.139 510 T CB -0.350 68.534 68.868 0.026 0.000 0.871 510 T HN 0.142 nan 8.240 nan 0.000 0.454 511 V N 1.480 121.432 119.914 0.063 0.000 2.343 511 V HA -0.124 3.981 4.120 -0.025 0.000 0.247 511 V C 2.830 178.964 176.094 0.067 0.000 1.051 511 V CA 2.022 64.362 62.300 0.068 0.000 1.036 511 V CB -1.263 30.615 31.823 0.091 0.000 0.654 511 V HN 0.600 nan 8.190 nan 0.000 0.451 512 G N -0.316 108.527 108.800 0.071 0.000 2.418 512 G HA2 -0.243 3.702 3.960 -0.025 0.000 0.217 512 G HA3 -0.243 3.702 3.960 -0.025 0.000 0.217 512 G C 1.568 176.506 174.900 0.062 0.000 1.158 512 G CA 1.081 46.224 45.100 0.071 0.000 0.771 512 G HN 0.453 nan 8.290 nan 0.000 0.545 513 L N 0.873 122.126 121.223 0.051 0.000 2.017 513 L HA 0.075 4.400 4.340 -0.025 0.000 0.208 513 L C 2.643 179.541 176.870 0.046 0.000 1.073 513 L CA 1.368 56.234 54.840 0.044 0.000 0.745 513 L CB -0.456 41.622 42.059 0.032 0.000 0.894 513 L HN 0.258 nan 8.230 nan 0.000 0.432 514 I N -0.506 120.091 120.570 0.046 0.000 2.264 514 I HA -0.284 3.871 4.170 -0.025 0.000 0.248 514 I C 2.706 178.853 176.117 0.050 0.000 1.111 514 I CA 1.160 62.488 61.300 0.047 0.000 1.382 514 I CB -0.534 37.493 38.000 0.046 0.000 1.060 514 I HN 0.376 nan 8.210 nan 0.000 0.418 515 R N 1.428 121.959 120.500 0.051 0.000 2.081 515 R HA -0.176 4.149 4.340 -0.025 0.000 0.235 515 R C 1.826 178.150 176.300 0.041 0.000 1.131 515 R CA 1.802 57.930 56.100 0.047 0.000 0.960 515 R CB -0.485 29.848 30.300 0.055 0.000 0.856 515 R HN 0.367 nan 8.270 nan 0.000 0.436 516 N N 0.924 119.652 118.700 0.046 0.000 2.142 516 N HA -0.088 4.637 4.740 -0.025 0.000 0.186 516 N C 1.937 177.464 175.510 0.027 0.000 1.023 516 N CA 0.979 54.054 53.050 0.041 0.000 0.852 516 N CB -0.379 38.142 38.487 0.057 0.000 0.998 516 N HN 0.215 nan 8.380 nan 0.000 0.424 517 L N 0.477 121.718 121.223 0.030 0.000 2.127 517 L HA -0.088 4.237 4.340 -0.025 0.000 0.211 517 L C 1.999 178.871 176.870 0.004 0.000 1.089 517 L CA 0.983 55.832 54.840 0.016 0.000 0.757 517 L CB -0.453 41.620 42.059 0.024 0.000 0.899 517 L HN 0.131 nan 8.230 nan 0.000 0.434 518 A N -0.386 122.456 122.820 0.037 0.000 2.209 518 A HA -0.021 4.284 4.320 -0.025 0.000 0.212 518 A C 2.109 179.729 177.584 0.060 0.000 1.158 518 A CA 0.662 52.750 52.037 0.085 0.000 0.742 518 A CB -0.471 18.604 19.000 0.125 0.000 0.790 518 A HN 0.397 nan 8.150 nan 0.000 0.472 519 L N -1.172 120.054 121.223 0.004 0.000 2.376 519 L HA -0.045 4.280 4.340 -0.025 0.000 0.219 519 L C 1.207 178.035 176.870 -0.071 0.000 1.133 519 L CA 0.027 54.858 54.840 -0.015 0.000 0.816 519 L CB -0.304 41.744 42.059 -0.018 0.000 0.933 519 L HN 0.502 nan 8.230 nan 0.000 0.449 520 C N 2.371 121.596 119.300 -0.124 0.000 2.246 520 C HA 0.282 4.727 4.460 -0.025 0.000 0.329 520 C C -0.411 174.355 174.990 -0.373 0.000 1.221 520 C CA -2.022 56.891 59.018 -0.175 0.000 1.697 520 C CB 0.356 28.022 27.740 -0.123 0.000 2.312 520 C HN 0.139 nan 8.230 nan 0.000 0.509 521 P HA -0.160 nan 4.420 nan 0.000 0.217 521 P C 1.298 178.351 177.300 -0.412 0.000 1.148 521 P CA 2.275 65.040 63.100 -0.559 0.000 0.828 521 P CB 0.037 31.638 31.700 -0.165 0.000 0.783 522 A N -0.422 122.261 122.820 -0.230 0.000 2.172 522 A HA -0.124 4.181 4.320 -0.025 0.000 0.216 522 A C 1.952 179.459 177.584 -0.128 0.000 1.154 522 A CA 1.172 53.128 52.037 -0.136 0.000 0.701 522 A CB -0.979 17.962 19.000 -0.099 0.000 0.789 522 A HN 0.147 nan 8.150 nan 0.000 0.465 523 N N -0.891 117.695 118.700 -0.189 0.000 2.373 523 N HA 0.029 4.754 4.740 -0.025 0.000 0.181 523 N C 1.106 176.613 175.510 -0.006 0.000 1.082 523 N CA 0.478 53.470 53.050 -0.097 0.000 0.885 523 N CB -0.385 38.053 38.487 -0.081 0.000 0.977 523 N HN 0.751 nan 8.380 nan 0.000 0.462 524 H N 0.766 119.837 119.070 0.001 0.000 2.267 524 H HA -0.047 4.493 4.556 -0.025 0.000 0.297 524 H C 2.008 177.346 175.328 0.017 0.000 1.080 524 H CA 1.548 57.603 56.048 0.012 0.000 1.278 524 H CB 0.200 29.975 29.762 0.021 0.000 1.365 524 H HN 0.204 nan 8.280 nan 0.000 0.489 525 A N 1.080 123.987 122.820 0.145 0.000 1.883 525 A HA -0.105 4.200 4.320 -0.025 0.000 0.217 525 A C -0.208 177.400 177.584 0.041 0.000 1.186 525 A CA 1.543 53.621 52.037 0.068 0.000 0.624 525 A CB -1.286 17.733 19.000 0.031 0.000 0.822 525 A HN 0.313 nan 8.150 nan 0.000 0.444 526 P HA -0.115 nan 4.420 nan 0.000 0.216 526 P C 1.444 178.764 177.300 0.033 0.000 1.153 526 P CA 0.615 63.724 63.100 0.016 0.000 0.848 526 P CB -0.049 31.648 31.700 -0.005 0.000 0.787 527 L N -0.441 120.812 121.223 0.049 0.000 2.042 527 L HA -0.123 4.202 4.340 -0.025 0.000 0.210 527 L C 2.560 179.465 176.870 0.059 0.000 1.076 527 L CA 1.765 56.640 54.840 0.059 0.000 0.749 527 L CB -1.336 40.771 42.059 0.080 0.000 0.893 527 L HN -0.097 nan 8.230 nan 0.000 0.432 528 R N -0.346 120.190 120.500 0.061 0.000 2.092 528 R HA -0.149 4.176 4.340 -0.025 0.000 0.231 528 R C 2.055 178.377 176.300 0.038 0.000 1.119 528 R CA 1.328 57.458 56.100 0.050 0.000 0.970 528 R CB -0.030 30.300 30.300 0.049 0.000 0.864 528 R HN 0.433 nan 8.270 nan 0.000 0.440 529 E N -0.057 120.161 120.200 0.029 0.000 2.153 529 E HA -0.175 4.160 4.350 -0.025 0.000 0.194 529 E C 1.661 178.278 176.600 0.029 0.000 0.988 529 E CA 0.790 57.202 56.400 0.020 0.000 0.811 529 E CB 0.136 29.844 29.700 0.012 0.000 0.746 529 E HN 0.329 nan 8.360 nan 0.000 0.466 530 Q N -0.634 119.190 119.800 0.040 0.000 2.444 530 Q HA 0.049 4.374 4.340 -0.025 0.000 0.206 530 Q C 1.058 177.100 176.000 0.070 0.000 0.948 530 Q CA 0.780 56.614 55.803 0.051 0.000 0.946 530 Q CB 0.926 29.698 28.738 0.058 0.000 1.027 530 Q HN 0.422 nan 8.270 nan 0.000 0.513 531 G N 0.405 109.243 108.800 0.063 0.000 2.136 531 G HA2 -0.353 3.592 3.960 -0.025 0.000 0.242 531 G HA3 -0.353 3.592 3.960 -0.025 0.000 0.242 531 G C 1.019 175.973 174.900 0.090 0.000 0.989 531 G CA 0.639 45.785 45.100 0.077 0.000 0.682 531 G HN 0.480 nan 8.290 nan 0.000 0.522 532 A N -0.029 122.836 122.820 0.075 0.000 1.883 532 A HA 0.061 4.366 4.320 -0.025 0.000 0.217 532 A C 2.401 180.017 177.584 0.053 0.000 1.186 532 A CA 1.948 54.021 52.037 0.060 0.000 0.624 532 A CB -0.348 18.686 19.000 0.056 0.000 0.822 532 A HN 0.841 nan 8.150 nan 0.000 0.444 533 I N -0.205 120.399 120.570 0.057 0.000 2.127 533 I HA -0.186 3.969 4.170 -0.025 0.000 0.241 533 I C -0.506 175.645 176.117 0.058 0.000 1.075 533 I CA 1.579 62.914 61.300 0.058 0.000 1.334 533 I CB -1.252 36.781 38.000 0.055 0.000 1.040 533 I HN 0.214 nan 8.210 nan 0.000 0.405 534 P HA -0.175 nan 4.420 nan 0.000 0.215 534 P C 1.512 178.844 177.300 0.055 0.000 1.153 534 P CA 1.287 64.419 63.100 0.054 0.000 0.853 534 P CB -0.023 31.711 31.700 0.057 0.000 0.788 535 R N -0.048 120.486 120.500 0.056 0.000 2.075 535 R HA -0.011 4.314 4.340 -0.025 0.000 0.232 535 R C 2.159 178.462 176.300 0.006 0.000 1.126 535 R CA 1.422 57.531 56.100 0.015 0.000 0.963 535 R CB -1.604 28.651 30.300 -0.076 0.000 0.858 535 R HN 0.127 nan 8.270 nan 0.000 0.435 536 L N -0.518 120.721 121.223 0.026 0.000 2.046 536 L HA -0.150 4.175 4.340 -0.025 0.000 0.208 536 L C 2.269 179.181 176.870 0.071 0.000 1.077 536 L CA 1.142 56.013 54.840 0.052 0.000 0.747 536 L CB -0.479 41.620 42.059 0.066 0.000 0.896 536 L HN 0.035 nan 8.230 nan 0.000 0.432 537 V N -0.370 119.581 119.914 0.063 0.000 2.343 537 V HA -0.336 3.769 4.120 -0.025 0.000 0.247 537 V C 2.469 178.586 176.094 0.038 0.000 1.051 537 V CA 1.945 64.272 62.300 0.045 0.000 1.036 537 V CB -0.496 31.342 31.823 0.025 0.000 0.654 537 V HN 0.532 nan 8.190 nan 0.000 0.451 538 Q N -0.421 119.405 119.800 0.044 0.000 2.096 538 Q HA -0.215 4.110 4.340 -0.025 0.000 0.204 538 Q C 2.265 178.314 176.000 0.082 0.000 0.982 538 Q CA 1.885 57.718 55.803 0.052 0.000 0.850 538 Q CB -0.159 28.609 28.738 0.049 0.000 0.901 538 Q HN 0.604 nan 8.270 nan 0.000 0.422 539 L N 0.264 121.544 121.223 0.094 0.000 2.083 539 L HA -0.199 4.126 4.340 -0.025 0.000 0.209 539 L C 2.467 179.439 176.870 0.171 0.000 1.083 539 L CA 0.506 55.449 54.840 0.171 0.000 0.752 539 L CB -0.447 41.715 42.059 0.173 0.000 0.899 539 L HN 0.343 nan 8.230 nan 0.000 0.433 540 L N -0.542 120.751 121.223 0.117 0.000 2.046 540 L HA -0.160 4.165 4.340 -0.025 0.000 0.208 540 L C 2.355 179.279 176.870 0.090 0.000 1.077 540 L CA 1.704 56.601 54.840 0.096 0.000 0.747 540 L CB -0.453 41.650 42.059 0.073 0.000 0.896 540 L HN -0.075 nan 8.230 nan 0.000 0.432 541 V N 0.107 120.063 119.914 0.070 0.000 2.343 541 V HA -0.271 3.834 4.120 -0.025 0.000 0.247 541 V C 2.738 178.897 176.094 0.108 0.000 1.051 541 V CA 2.078 64.424 62.300 0.076 0.000 1.036 541 V CB -0.677 31.170 31.823 0.040 0.000 0.654 541 V HN 0.472 nan 8.190 nan 0.000 0.451 542 R N 0.321 120.890 120.500 0.116 0.000 2.070 542 R HA -0.120 4.205 4.340 -0.025 0.000 0.233 542 R C 2.484 178.839 176.300 0.092 0.000 1.137 542 R CA 1.562 57.737 56.100 0.125 0.000 0.945 542 R CB -0.745 29.675 30.300 0.200 0.000 0.845 542 R HN 0.511 nan 8.270 nan 0.000 0.430 543 A N 0.711 123.581 122.820 0.083 0.000 1.940 543 A HA -0.246 4.059 4.320 -0.025 0.000 0.219 543 A C 1.983 179.573 177.584 0.011 0.000 1.176 543 A CA 1.910 53.929 52.037 -0.029 0.000 0.631 543 A CB -0.721 18.232 19.000 -0.078 0.000 0.814 543 A HN 0.432 nan 8.150 nan 0.000 0.446 544 H N -0.253 118.803 119.070 -0.023 0.000 2.357 544 H HA -0.074 4.467 4.556 -0.025 0.000 0.301 544 H C 2.104 177.419 175.328 -0.022 0.000 1.082 544 H CA 2.153 58.188 56.048 -0.021 0.000 1.342 544 H CB -0.223 29.533 29.762 -0.009 0.000 1.389 544 H HN 0.594 nan 8.280 nan 0.000 0.511 545 Q N -0.191 119.562 119.800 -0.079 0.000 2.084 545 Q HA -0.137 4.188 4.340 -0.025 0.000 0.202 545 Q C 1.688 177.613 176.000 -0.126 0.000 0.978 545 Q CA 1.437 57.162 55.803 -0.130 0.000 0.844 545 Q CB 0.109 28.832 28.738 -0.026 0.000 0.898 545 Q HN 0.565 nan 8.270 nan 0.000 0.426 546 D N -0.027 120.324 120.400 -0.082 0.000 2.144 546 D HA -0.135 4.490 4.640 -0.025 0.000 0.199 546 D C 2.067 178.301 176.300 -0.110 0.000 0.984 546 D CA 1.885 55.837 54.000 -0.079 0.000 0.834 546 D CB -0.395 40.361 40.800 -0.074 0.000 0.955 546 D HN 0.405 nan 8.370 nan 0.000 0.465 547 T N -1.811 112.659 114.554 -0.140 0.000 3.035 547 T HA -0.076 4.259 4.350 -0.025 0.000 0.268 547 T C 1.656 176.263 174.700 -0.156 0.000 1.109 547 T CA 0.646 62.663 62.100 -0.138 0.000 1.119 547 T CB 0.038 68.837 68.868 -0.115 0.000 0.900 547 T HN 0.033 nan 8.240 nan 0.000 0.503 548 Q N 0.954 120.628 119.800 -0.210 0.000 2.269 548 Q HA 0.139 4.464 4.340 -0.025 0.000 0.201 548 Q C 1.988 177.919 176.000 -0.114 0.000 0.946 548 Q CA 0.633 56.321 55.803 -0.191 0.000 0.877 548 Q CB 0.001 28.587 28.738 -0.254 0.000 0.963 548 Q HN 0.619 nan 8.270 nan 0.000 0.472 549 R N 0.320 120.762 120.500 -0.096 0.000 2.335 549 R HA 0.147 4.472 4.340 -0.025 0.000 0.223 549 R C 1.066 177.332 176.300 -0.055 0.000 0.940 549 R CA 0.144 56.206 56.100 -0.063 0.000 1.086 549 R CB 0.337 30.608 30.300 -0.047 0.000 1.073 549 R HN 0.050 nan 8.270 nan 0.000 0.504 550 R N -1.645 118.814 120.500 -0.067 0.000 2.541 550 R HA 0.116 4.441 4.340 -0.025 0.000 0.332 550 R C 1.618 177.885 176.300 -0.056 0.000 0.951 550 R CA 0.615 56.680 56.100 -0.059 0.000 1.136 550 R CB 0.543 30.801 30.300 -0.070 0.000 1.449 550 R HN 0.144 nan 8.270 nan 0.000 0.531 551 T N -0.222 114.296 114.554 -0.061 0.000 3.072 551 T HA 0.068 4.403 4.350 -0.025 0.000 0.266 551 T C 1.785 176.461 174.700 -0.040 0.000 1.127 551 T CA 1.615 63.684 62.100 -0.052 0.000 1.107 551 T CB -0.081 68.752 68.868 -0.058 0.000 0.910 551 T HN 0.290 nan 8.240 nan 0.000 0.513 552 S N -0.115 115.562 115.700 -0.039 0.000 2.310 552 S HA 0.703 5.158 4.470 -0.025 0.000 0.205 552 S C 0.824 175.409 174.600 -0.025 0.000 1.020 552 S CA 1.182 59.364 58.200 -0.030 0.000 0.939 552 S CB 0.248 63.431 63.200 -0.029 0.000 0.919 552 S HN 0.748 nan 8.310 nan 0.000 0.501 553 M N 0.080 119.665 119.600 -0.025 0.000 2.691 553 M HA 0.290 4.755 4.480 -0.025 0.000 0.126 553 M C -0.037 176.253 176.300 -0.017 0.000 0.875 553 M CA 0.054 55.342 55.300 -0.021 0.000 0.658 553 M CB -0.025 32.566 32.600 -0.015 0.000 2.900 553 M HN 0.277 nan 8.290 nan 0.000 0.314 554 G N 1.154 109.942 108.800 -0.020 0.000 2.608 554 G HA2 0.536 4.480 3.960 -0.025 0.000 0.210 554 G HA3 0.536 4.480 3.960 -0.025 0.000 0.210 554 G C 0.660 175.557 174.900 -0.005 0.000 1.139 554 G CA 1.076 46.168 45.100 -0.013 0.000 0.812 554 G HN 0.969 nan 8.290 nan 0.000 0.529 555 G N -0.789 108.006 108.800 -0.008 0.000 4.314 555 G HA2 0.319 4.264 3.960 -0.025 0.000 0.166 555 G HA3 0.319 4.264 3.960 -0.025 0.000 0.166 555 G C 0.416 175.314 174.900 -0.004 0.000 1.213 555 G CA 1.082 46.182 45.100 -0.000 0.000 1.027 555 G HN 0.867 nan 8.290 nan 0.000 0.352 556 T N -3.420 111.127 114.554 -0.012 0.000 2.645 556 T HA 0.615 4.950 4.350 -0.025 0.000 0.273 556 T C 1.624 176.304 174.700 -0.033 0.000 0.960 556 T CA 1.288 63.378 62.100 -0.016 0.000 1.051 556 T CB 0.652 69.515 68.868 -0.008 0.000 1.366 556 T HN 0.919 nan 8.240 nan 0.000 0.536 557 Q N -0.174 119.605 119.800 -0.035 0.000 2.047 557 Q HA -0.068 4.257 4.340 -0.025 0.000 0.211 557 Q C 0.902 176.860 176.000 -0.070 0.000 1.005 557 Q CA 1.998 57.774 55.803 -0.046 0.000 0.866 557 Q CB -0.858 27.854 28.738 -0.044 0.000 0.938 557 Q HN 0.713 nan 8.270 nan 0.000 0.414 558 Q N -0.870 118.871 119.800 -0.099 0.000 2.429 558 Q HA 0.202 4.527 4.340 -0.025 0.000 0.247 558 Q C -0.969 174.888 176.000 -0.237 0.000 0.915 558 Q CA -0.208 55.504 55.803 -0.151 0.000 0.971 558 Q CB 1.700 30.338 28.738 -0.165 0.000 1.468 558 Q HN 0.818 nan 8.270 nan 0.000 0.439 559 Q N 1.455 121.128 119.800 -0.211 0.000 2.665 559 Q HA 0.556 4.881 4.340 -0.025 0.000 0.176 559 Q C -0.733 175.020 176.000 -0.410 0.000 1.025 559 Q CA -0.127 55.531 55.803 -0.241 0.000 0.953 559 Q CB 0.465 29.224 28.738 0.034 0.000 2.143 559 Q HN 0.329 nan 8.270 nan 0.000 0.464 560 F N -1.231 118.700 119.950 -0.032 0.000 2.557 560 F HA 0.652 5.180 4.527 0.001 0.000 0.336 560 F C -0.294 175.484 175.800 -0.037 0.000 1.058 560 F CA -1.157 56.818 58.000 -0.042 0.000 0.988 560 F CB 1.795 40.784 39.000 -0.018 0.000 1.275 560 F HN 0.149 nan 8.300 nan 0.000 0.488 561 V N 0.490 120.500 119.914 0.161 0.000 2.509 561 V HA 0.276 4.381 4.120 -0.025 0.000 0.289 561 V C -0.489 175.719 176.094 0.190 0.000 1.026 561 V CA -1.174 61.193 62.300 0.111 0.000 0.872 561 V CB 0.933 32.747 31.823 -0.015 0.000 1.017 561 V HN 0.853 nan 8.190 nan 0.000 0.436 562 E N 3.125 123.445 120.200 0.200 0.000 2.868 562 E HA -0.250 4.085 4.350 -0.025 0.000 0.278 562 E C 1.171 177.869 176.600 0.164 0.000 1.009 562 E CA 0.743 57.266 56.400 0.204 0.000 0.856 562 E CB -1.154 28.757 29.700 0.353 0.000 1.428 562 E HN 1.611 nan 8.360 nan 0.000 0.423 563 G N -1.414 107.466 108.800 0.133 0.000 2.157 563 G HA2 -0.286 3.659 3.960 -0.025 0.000 0.248 563 G HA3 -0.286 3.659 3.960 -0.025 0.000 0.248 563 G C 0.093 175.134 174.900 0.235 0.000 0.979 563 G CA 0.142 45.279 45.100 0.063 0.000 0.650 563 G HN 0.402 nan 8.290 nan 0.000 0.529 564 V N 0.451 120.543 119.914 0.296 0.000 2.638 564 V HA 0.557 4.662 4.120 -0.025 0.000 0.306 564 V C 0.535 176.665 176.094 0.060 0.000 1.052 564 V CA -1.118 61.318 62.300 0.226 0.000 0.885 564 V CB 1.811 33.705 31.823 0.118 0.000 0.999 564 V HN 0.339 nan 8.190 nan 0.000 0.424 565 R N 3.856 124.325 120.500 -0.051 0.000 2.298 565 R HA 0.321 4.646 4.340 -0.025 0.000 0.310 565 R C 1.046 177.200 176.300 -0.243 0.000 1.068 565 R CA -0.592 55.338 56.100 -0.282 0.000 0.957 565 R CB 0.777 30.839 30.300 -0.396 0.000 1.003 565 R HN 0.604 nan 8.270 nan 0.000 0.454 566 M N 1.916 121.342 119.600 -0.291 0.000 2.346 566 M HA -0.143 4.322 4.480 -0.025 0.000 0.263 566 M C 1.049 177.242 176.300 -0.179 0.000 1.064 566 M CA 1.639 56.752 55.300 -0.311 0.000 1.083 566 M CB -0.537 31.888 32.600 -0.292 0.000 1.399 566 M HN 0.523 nan 8.290 nan 0.000 0.435 567 E N 0.461 120.577 120.200 -0.139 0.000 2.204 567 E HA -0.151 4.184 4.350 -0.025 0.000 0.195 567 E C 1.830 178.402 176.600 -0.046 0.000 0.990 567 E CA 1.004 57.361 56.400 -0.072 0.000 0.821 567 E CB -0.282 29.374 29.700 -0.074 0.000 0.750 567 E HN 0.589 nan 8.360 nan 0.000 0.477 568 E N -0.008 120.154 120.200 -0.063 0.000 2.152 568 E HA -0.092 4.243 4.350 -0.025 0.000 0.192 568 E C 1.672 178.273 176.600 0.001 0.000 0.983 568 E CA 0.485 56.876 56.400 -0.016 0.000 0.818 568 E CB 0.045 29.744 29.700 -0.001 0.000 0.758 568 E HN 0.211 nan 8.360 nan 0.000 0.467 569 I N 0.755 121.300 120.570 -0.043 0.000 2.353 569 I HA -0.159 3.996 4.170 -0.025 0.000 0.248 569 I C 2.355 178.493 176.117 0.036 0.000 1.119 569 I CA 0.802 62.102 61.300 0.001 0.000 1.417 569 I CB -0.860 37.077 38.000 -0.104 0.000 1.078 569 I HN -0.012 nan 8.210 nan 0.000 0.421 570 V N 0.914 120.837 119.914 0.015 0.000 2.295 570 V HA -0.273 3.832 4.120 -0.025 0.000 0.246 570 V C 2.591 178.722 176.094 0.062 0.000 1.049 570 V CA 1.989 64.321 62.300 0.052 0.000 1.024 570 V CB -0.583 31.277 31.823 0.062 0.000 0.648 570 V HN 0.443 nan 8.190 nan 0.000 0.447 571 E N 0.129 120.357 120.200 0.047 0.000 2.047 571 E HA -0.171 4.164 4.350 -0.025 0.000 0.191 571 E C 2.289 178.927 176.600 0.063 0.000 0.987 571 E CA 1.363 57.794 56.400 0.050 0.000 0.799 571 E CB -0.444 29.281 29.700 0.041 0.000 0.752 571 E HN 0.570 nan 8.360 nan 0.000 0.449 572 G N 0.543 109.383 108.800 0.067 0.000 2.421 572 G HA2 -0.295 3.650 3.960 -0.025 0.000 0.216 572 G HA3 -0.295 3.650 3.960 -0.025 0.000 0.216 572 G C 1.749 176.701 174.900 0.086 0.000 1.171 572 G CA 1.009 46.157 45.100 0.079 0.000 0.775 572 G HN 0.390 nan 8.290 nan 0.000 0.543 573 C N 0.477 119.835 119.300 0.096 0.000 2.446 573 C HA 0.002 4.447 4.460 -0.025 0.000 0.277 573 C C 3.261 178.319 174.990 0.114 0.000 1.275 573 C CA 1.526 60.608 59.018 0.106 0.000 1.727 573 C CB -1.000 26.811 27.740 0.118 0.000 2.010 573 C HN 0.443 nan 8.230 nan 0.000 0.486 574 T N 0.485 115.109 114.554 0.116 0.000 2.788 574 T HA -0.055 4.280 4.350 -0.025 0.000 0.268 574 T C 1.955 176.680 174.700 0.041 0.000 1.044 574 T CA 1.688 63.850 62.100 0.103 0.000 1.139 574 T CB -0.547 68.376 68.868 0.092 0.000 0.867 574 T HN 0.698 nan 8.240 nan 0.000 0.454 575 G N 0.903 109.741 108.800 0.063 0.000 2.422 575 G HA2 0.015 3.960 3.960 -0.025 0.000 0.218 575 G HA3 0.015 3.960 3.960 -0.025 0.000 0.218 575 G C 1.762 176.713 174.900 0.084 0.000 1.140 575 G CA 0.797 45.948 45.100 0.086 0.000 0.775 575 G HN 0.575 nan 8.290 nan 0.000 0.545 576 A N 0.527 123.389 122.820 0.071 0.000 1.897 576 A HA 0.207 4.512 4.320 -0.025 0.000 0.215 576 A C 2.371 179.981 177.584 0.043 0.000 1.181 576 A CA 0.909 52.980 52.037 0.057 0.000 0.620 576 A CB -0.322 18.717 19.000 0.064 0.000 0.821 576 A HN 0.330 nan 8.150 nan 0.000 0.443 577 L N -1.142 120.114 121.223 0.055 0.000 2.141 577 L HA -0.174 4.151 4.340 -0.025 0.000 0.209 577 L C 2.622 179.485 176.870 -0.011 0.000 1.094 577 L CA 1.442 56.305 54.840 0.037 0.000 0.763 577 L CB -0.639 41.479 42.059 0.098 0.000 0.908 577 L HN 0.625 nan 8.230 nan 0.000 0.437 578 H N 0.807 119.788 119.070 -0.147 0.000 2.321 578 H HA -0.174 4.366 4.556 -0.026 0.000 0.300 578 H C 2.104 177.349 175.328 -0.138 0.000 1.087 578 H CA 1.840 57.768 56.048 -0.200 0.000 1.319 578 H CB 0.034 29.668 29.762 -0.213 0.000 1.379 578 H HN 0.044 nan 8.280 nan 0.000 0.501 579 I N -0.045 120.385 120.570 -0.235 0.000 2.202 579 I HA -0.192 3.963 4.170 -0.025 0.000 0.242 579 I C 2.335 178.370 176.117 -0.137 0.000 1.091 579 I CA 0.613 61.763 61.300 -0.250 0.000 1.368 579 I CB -1.184 36.746 38.000 -0.117 0.000 1.058 579 I HN 0.277 nan 8.210 nan 0.000 0.410 580 L N 1.314 122.486 121.223 -0.085 0.000 2.127 580 L HA -0.082 4.243 4.340 -0.025 0.000 0.211 580 L C 2.474 179.216 176.870 -0.213 0.000 1.089 580 L CA 1.672 56.438 54.840 -0.123 0.000 0.757 580 L CB -1.455 40.582 42.059 -0.037 0.000 0.899 580 L HN 0.218 nan 8.230 nan 0.000 0.434 581 A N -1.224 121.512 122.820 -0.140 0.000 2.248 581 A HA -0.145 4.160 4.320 -0.025 0.000 0.210 581 A C 2.248 179.741 177.584 -0.150 0.000 1.174 581 A CA 0.610 52.573 52.037 -0.123 0.000 0.750 581 A CB -0.621 18.331 19.000 -0.081 0.000 0.780 581 A HN 0.389 nan 8.150 nan 0.000 0.478 582 R N -0.306 120.073 120.500 -0.203 0.000 2.235 582 R HA -0.040 4.285 4.340 -0.025 0.000 0.213 582 R C -0.072 176.121 176.300 -0.179 0.000 1.059 582 R CA 0.759 56.764 56.100 -0.158 0.000 0.997 582 R CB -0.113 30.126 30.300 -0.102 0.000 0.884 582 R HN 0.598 nan 8.270 nan 0.000 0.462 583 D N -0.503 119.710 120.400 -0.311 0.000 2.225 583 D HA 0.021 4.646 4.640 -0.025 0.000 0.248 583 D C 0.973 177.178 176.300 -0.158 0.000 1.096 583 D CA -0.211 53.642 54.000 -0.245 0.000 0.863 583 D CB 1.852 42.423 40.800 -0.381 0.000 1.156 583 D HN -0.269 nan 8.370 nan 0.000 0.450 584 V N 4.997 124.811 119.914 -0.167 0.000 2.343 584 V HA -0.231 3.874 4.120 -0.025 0.000 0.247 584 V C 1.640 177.608 176.094 -0.210 0.000 1.051 584 V CA 1.809 63.981 62.300 -0.213 0.000 1.036 584 V CB -0.645 31.001 31.823 -0.295 0.000 0.654 584 V HN 0.694 nan 8.190 nan 0.000 0.451 585 H N 0.172 119.225 119.070 -0.029 0.000 2.389 585 H HA -0.059 4.481 4.556 -0.025 0.000 0.299 585 H C 2.276 177.589 175.328 -0.024 0.000 1.081 585 H CA 1.687 57.725 56.048 -0.017 0.000 1.345 585 H CB -0.408 29.351 29.762 -0.005 0.000 1.393 585 H HN 0.462 nan 8.280 nan 0.000 0.520 586 N N 1.158 119.889 118.700 0.051 0.000 2.166 586 N HA -0.099 4.626 4.740 -0.025 0.000 0.186 586 N C 2.032 177.543 175.510 0.003 0.000 1.019 586 N CA 0.575 53.629 53.050 0.007 0.000 0.856 586 N CB -0.227 38.217 38.487 -0.071 0.000 0.993 586 N HN 0.377 nan 8.380 nan 0.000 0.426 587 R N 0.558 121.044 120.500 -0.024 0.000 2.096 587 R HA 0.008 4.333 4.340 -0.025 0.000 0.235 587 R C 2.215 178.524 176.300 0.014 0.000 1.127 587 R CA 0.813 56.907 56.100 -0.011 0.000 0.968 587 R CB -0.380 29.899 30.300 -0.037 0.000 0.861 587 R HN 0.277 nan 8.270 nan 0.000 0.440 588 I N 0.297 120.877 120.570 0.017 0.000 2.226 588 I HA -0.262 3.892 4.170 -0.025 0.000 0.245 588 I C 2.297 178.438 176.117 0.040 0.000 1.100 588 I CA 1.164 62.482 61.300 0.031 0.000 1.374 588 I CB -0.265 37.763 38.000 0.047 0.000 1.057 588 I HN -0.034 nan 8.210 nan 0.000 0.413 589 V N 1.125 121.067 119.914 0.047 0.000 2.270 589 V HA -0.273 3.832 4.120 -0.025 0.000 0.245 589 V C 2.326 178.449 176.094 0.048 0.000 1.043 589 V CA 1.867 64.195 62.300 0.045 0.000 1.014 589 V CB -0.415 31.437 31.823 0.047 0.000 0.645 589 V HN 0.308 nan 8.190 nan 0.000 0.447 590 I N -0.158 120.448 120.570 0.059 0.000 2.163 590 I HA -0.313 3.842 4.170 -0.025 0.000 0.243 590 I C 2.769 178.938 176.117 0.086 0.000 1.085 590 I CA 2.151 63.506 61.300 0.091 0.000 1.347 590 I CB -0.430 37.643 38.000 0.123 0.000 1.044 590 I HN 0.233 nan 8.210 nan 0.000 0.408 591 R N 1.109 121.652 120.500 0.072 0.000 2.081 591 R HA -0.131 4.194 4.340 -0.025 0.000 0.235 591 R C 2.315 178.634 176.300 0.033 0.000 1.131 591 R CA 1.600 57.735 56.100 0.058 0.000 0.960 591 R CB -0.583 29.744 30.300 0.045 0.000 0.856 591 R HN 0.409 nan 8.270 nan 0.000 0.436 592 G N 0.744 109.562 108.800 0.030 0.000 2.479 592 G HA2 -0.189 3.756 3.960 -0.025 0.000 0.220 592 G HA3 -0.189 3.756 3.960 -0.025 0.000 0.220 592 G C 1.211 176.119 174.900 0.012 0.000 1.115 592 G CA 0.490 45.602 45.100 0.021 0.000 0.757 592 G HN 0.290 nan 8.290 nan 0.000 0.560 593 L N 0.022 121.251 121.223 0.010 0.000 2.627 593 L HA 0.187 4.512 4.340 -0.025 0.000 0.232 593 L C 1.010 177.862 176.870 -0.029 0.000 1.150 593 L CA -0.018 54.819 54.840 -0.005 0.000 0.917 593 L CB -0.474 41.584 42.059 -0.001 0.000 1.104 593 L HN 0.276 nan 8.230 nan 0.000 0.445 594 N N 0.545 119.229 118.700 -0.026 0.000 2.727 594 N HA -0.203 4.522 4.740 -0.025 0.000 0.251 594 N C 0.883 176.330 175.510 -0.105 0.000 1.040 594 N CA 0.902 53.926 53.050 -0.044 0.000 0.712 594 N CB -0.767 37.699 38.487 -0.035 0.000 0.912 594 N HN 0.474 nan 8.380 nan 0.000 0.545 595 T N -3.160 111.307 114.554 -0.145 0.000 3.037 595 T HA 0.207 4.542 4.350 -0.025 0.000 0.251 595 T C 1.970 176.412 174.700 -0.430 0.000 1.079 595 T CA 0.528 62.389 62.100 -0.398 0.000 1.067 595 T CB -0.077 68.478 68.868 -0.523 0.000 0.948 595 T HN 0.356 nan 8.240 nan 0.000 0.496 596 I N 2.173 122.693 120.570 -0.083 0.000 2.194 596 I HA -0.095 4.060 4.170 -0.025 0.000 0.246 596 I C -0.621 175.499 176.117 0.004 0.000 1.093 596 I CA 1.356 62.694 61.300 0.064 0.000 1.355 596 I CB -1.035 37.012 38.000 0.079 0.000 1.046 596 I HN 0.221 nan 8.210 nan 0.000 0.413 597 P HA -0.190 nan 4.420 nan 0.000 0.215 597 P C 1.785 179.050 177.300 -0.058 0.000 1.153 597 P CA 1.163 64.245 63.100 -0.030 0.000 0.853 597 P CB 0.012 31.691 31.700 -0.036 0.000 0.788 598 L N -1.427 119.691 121.223 -0.175 0.000 1.994 598 L HA -0.124 4.201 4.340 -0.025 0.000 0.208 598 L C 2.087 178.867 176.870 -0.151 0.000 1.071 598 L CA 1.943 56.642 54.840 -0.236 0.000 0.745 598 L CB -1.588 40.236 42.059 -0.391 0.000 0.892 598 L HN -0.166 nan 8.230 nan 0.000 0.431 599 F N -0.665 119.244 119.950 -0.068 0.000 2.120 599 F HA -0.214 4.297 4.527 -0.026 0.000 0.300 599 F C 2.562 178.334 175.800 -0.045 0.000 1.095 599 F CA 1.488 59.449 58.000 -0.066 0.000 1.249 599 F CB -1.512 37.454 39.000 -0.056 0.000 0.995 599 F HN -0.064 nan 8.300 nan 0.000 0.480 600 V N -0.416 119.595 119.914 0.162 0.000 2.343 600 V HA -0.259 3.846 4.120 -0.025 0.000 0.247 600 V C 2.467 178.655 176.094 0.156 0.000 1.051 600 V CA 1.661 64.030 62.300 0.116 0.000 1.036 600 V CB -0.585 31.303 31.823 0.107 0.000 0.654 600 V HN 0.302 nan 8.190 nan 0.000 0.451 601 Q N -0.442 119.451 119.800 0.155 0.000 2.226 601 Q HA -0.090 4.235 4.340 -0.025 0.000 0.204 601 Q C 2.191 178.320 176.000 0.215 0.000 0.975 601 Q CA 1.292 57.235 55.803 0.233 0.000 0.866 601 Q CB -0.330 28.474 28.738 0.111 0.000 0.915 601 Q HN 0.566 nan 8.270 nan 0.000 0.440 602 L N 0.234 121.511 121.223 0.090 0.000 2.362 602 L HA -0.132 4.193 4.340 -0.025 0.000 0.219 602 L C 2.111 179.019 176.870 0.065 0.000 1.134 602 L CA 0.357 55.237 54.840 0.066 0.000 0.807 602 L CB -0.362 41.724 42.059 0.044 0.000 0.927 602 L HN 0.189 nan 8.230 nan 0.000 0.447 603 L N -1.653 119.587 121.223 0.028 0.000 2.275 603 L HA -0.196 4.129 4.340 -0.025 0.000 0.215 603 L C 1.802 178.586 176.870 -0.144 0.000 1.119 603 L CA 1.081 55.860 54.840 -0.101 0.000 0.790 603 L CB -0.422 41.505 42.059 -0.220 0.000 0.919 603 L HN 0.237 nan 8.230 nan 0.000 0.443 604 Y N -0.757 119.557 120.300 0.023 0.000 2.490 604 Y HA 0.068 4.602 4.550 -0.026 0.000 0.281 604 Y C 1.717 177.634 175.900 0.028 0.000 1.174 604 Y CA -0.211 57.903 58.100 0.024 0.000 1.295 604 Y CB -0.062 38.414 38.460 0.026 0.000 1.062 604 Y HN -0.009 nan 8.280 nan 0.000 0.522 605 S N 2.582 118.370 115.700 0.147 0.000 2.549 605 S HA 0.005 4.460 4.470 -0.025 0.000 0.286 605 S C -1.102 173.540 174.600 0.070 0.000 1.314 605 S CA -1.188 57.076 58.200 0.107 0.000 1.062 605 S CB 0.723 63.974 63.200 0.085 0.000 0.865 605 S HN 0.162 nan 8.310 nan 0.000 0.498 606 P HA 0.101 nan 4.420 nan 0.000 0.237 606 P C -0.030 177.284 177.300 0.024 0.000 1.178 606 P CA 0.537 63.660 63.100 0.037 0.000 0.766 606 P CB -0.066 31.651 31.700 0.029 0.000 0.876 607 I N 0.880 121.465 120.570 0.025 0.000 2.301 607 I HA 0.119 4.274 4.170 -0.025 0.000 0.292 607 I C 1.616 177.744 176.117 0.017 0.000 1.046 607 I CA -0.412 60.898 61.300 0.017 0.000 1.282 607 I CB 0.825 38.834 38.000 0.014 0.000 1.409 607 I HN -0.180 nan 8.210 nan 0.000 0.484 608 E N 3.847 124.055 120.200 0.012 0.000 2.070 608 E HA -0.241 4.094 4.350 -0.025 0.000 0.197 608 E C 1.366 177.975 176.600 0.015 0.000 1.004 608 E CA 1.378 57.783 56.400 0.010 0.000 0.805 608 E CB 0.009 29.712 29.700 0.005 0.000 0.744 608 E HN 0.619 nan 8.360 nan 0.000 0.451 609 N N 0.628 119.340 118.700 0.020 0.000 2.223 609 N HA -0.128 4.597 4.740 -0.025 0.000 0.185 609 N C 1.846 177.374 175.510 0.031 0.000 1.016 609 N CA 0.881 53.949 53.050 0.030 0.000 0.863 609 N CB -0.124 38.383 38.487 0.033 0.000 0.983 609 N HN 0.220 nan 8.380 nan 0.000 0.429 610 I N 1.166 121.752 120.570 0.026 0.000 2.286 610 I HA -0.219 3.936 4.170 -0.025 0.000 0.245 610 I C 2.235 178.361 176.117 0.014 0.000 1.104 610 I CA 0.814 62.129 61.300 0.026 0.000 1.397 610 I CB -0.148 37.874 38.000 0.036 0.000 1.072 610 I HN 0.116 nan 8.210 nan 0.000 0.417 611 Q N 0.218 120.025 119.800 0.012 0.000 2.135 611 Q HA -0.259 4.066 4.340 -0.025 0.000 0.204 611 Q C 2.313 178.312 176.000 -0.003 0.000 0.981 611 Q CA 1.529 57.330 55.803 -0.004 0.000 0.856 611 Q CB -0.200 28.531 28.738 -0.010 0.000 0.902 611 Q HN 0.399 nan 8.270 nan 0.000 0.425 612 R N 0.525 121.041 120.500 0.026 0.000 2.062 612 R HA -0.139 4.186 4.340 -0.025 0.000 0.231 612 R C 2.295 178.618 176.300 0.038 0.000 1.136 612 R CA 1.692 57.848 56.100 0.093 0.000 0.948 612 R CB -0.187 30.176 30.300 0.106 0.000 0.845 612 R HN 0.290 nan 8.270 nan 0.000 0.430 613 V N -1.587 118.309 119.914 -0.031 0.000 2.626 613 V HA 0.017 4.122 4.120 -0.025 0.000 0.252 613 V C 2.256 178.177 176.094 -0.288 0.000 1.067 613 V CA 1.503 63.704 62.300 -0.166 0.000 1.081 613 V CB -0.909 30.884 31.823 -0.050 0.000 0.686 613 V HN 0.376 nan 8.190 nan 0.000 0.468 614 A N 0.925 123.641 122.820 -0.172 0.000 1.898 614 A HA 0.134 4.439 4.320 -0.025 0.000 0.216 614 A C 2.488 179.916 177.584 -0.260 0.000 1.181 614 A CA 2.118 54.039 52.037 -0.192 0.000 0.620 614 A CB -1.036 17.942 19.000 -0.037 0.000 0.819 614 A HN 0.878 nan 8.150 nan 0.000 0.442 615 A N -0.406 122.300 122.820 -0.190 0.000 1.933 615 A HA 0.139 4.444 4.320 -0.025 0.000 0.218 615 A C 2.378 179.747 177.584 -0.359 0.000 1.175 615 A CA 1.888 53.823 52.037 -0.170 0.000 0.628 615 A CB -1.343 17.641 19.000 -0.026 0.000 0.814 615 A HN 0.691 nan 8.150 nan 0.000 0.444 616 G N -0.736 107.660 108.800 -0.674 0.000 2.433 616 G HA2 -0.169 3.776 3.960 -0.025 0.000 0.216 616 G HA3 -0.169 3.776 3.960 -0.025 0.000 0.216 616 G C 1.645 175.983 174.900 -0.937 0.000 1.186 616 G CA 1.253 45.527 45.100 -1.375 0.000 0.779 616 G HN 0.542 nan 8.290 nan 0.000 0.543 617 V N 0.688 120.164 119.914 -0.730 0.000 2.407 617 V HA -0.042 4.063 4.120 -0.025 0.000 0.248 617 V C 2.855 178.723 176.094 -0.377 0.000 1.055 617 V CA 1.645 63.666 62.300 -0.466 0.000 1.049 617 V CB -0.244 31.118 31.823 -0.769 0.000 0.662 617 V HN 0.408 nan 8.190 nan 0.000 0.455 618 L N -0.551 120.454 121.223 -0.363 0.000 2.131 618 L HA -0.200 4.125 4.340 -0.025 0.000 0.210 618 L C 2.756 179.547 176.870 -0.132 0.000 1.092 618 L CA 1.753 56.480 54.840 -0.189 0.000 0.759 618 L CB -0.755 41.228 42.059 -0.126 0.000 0.903 618 L HN 0.585 nan 8.230 nan 0.000 0.435 619 C N 0.179 119.381 119.300 -0.164 0.000 2.453 619 C HA -0.122 4.323 4.460 -0.025 0.000 0.277 619 C C 2.786 177.738 174.990 -0.063 0.000 1.262 619 C CA 0.748 59.709 59.018 -0.094 0.000 1.718 619 C CB -0.541 27.134 27.740 -0.108 0.000 2.031 619 C HN 0.476 nan 8.230 nan 0.000 0.480 620 E N 0.778 120.933 120.200 -0.075 0.000 2.077 620 E HA -0.134 4.201 4.350 -0.025 0.000 0.193 620 E C 2.128 178.700 176.600 -0.048 0.000 0.989 620 E CA 1.272 57.645 56.400 -0.045 0.000 0.800 620 E CB -0.565 29.116 29.700 -0.031 0.000 0.746 620 E HN 0.705 nan 8.360 nan 0.000 0.452 621 L N 0.318 121.506 121.223 -0.058 0.000 2.217 621 L HA -0.034 4.291 4.340 -0.025 0.000 0.211 621 L C 2.361 179.220 176.870 -0.019 0.000 1.107 621 L CA 0.685 55.506 54.840 -0.032 0.000 0.783 621 L CB -0.424 41.626 42.059 -0.015 0.000 0.919 621 L HN 0.019 nan 8.230 nan 0.000 0.442 622 A N 0.449 123.256 122.820 -0.022 0.000 2.172 622 A HA -0.196 4.109 4.320 -0.025 0.000 0.216 622 A C 2.225 179.807 177.584 -0.004 0.000 1.154 622 A CA 1.144 53.175 52.037 -0.009 0.000 0.701 622 A CB -0.457 18.538 19.000 -0.008 0.000 0.789 622 A HN 0.653 nan 8.150 nan 0.000 0.465 623 Q N -0.408 119.387 119.800 -0.009 0.000 2.488 623 Q HA -0.042 4.283 4.340 -0.025 0.000 0.211 623 Q C -0.855 175.138 176.000 -0.011 0.000 0.967 623 Q CA 0.663 56.462 55.803 -0.008 0.000 0.926 623 Q CB -0.117 28.613 28.738 -0.014 0.000 0.992 623 Q HN 0.408 nan 8.270 nan 0.000 0.506 624 D N 1.354 121.747 120.400 -0.011 0.000 2.329 624 D HA 0.091 4.716 4.640 -0.025 0.000 0.232 624 D C 0.177 176.476 176.300 -0.003 0.000 1.088 624 D CA -0.306 53.687 54.000 -0.011 0.000 0.835 624 D CB 2.014 42.806 40.800 -0.014 0.000 1.078 624 D HN -0.050 nan 8.370 nan 0.000 0.495 625 K N 2.234 122.633 120.400 -0.001 0.000 2.059 625 K HA -0.253 4.052 4.320 -0.025 0.000 0.212 625 K C 1.590 178.193 176.600 0.005 0.000 1.050 625 K CA 1.605 57.894 56.287 0.003 0.000 0.927 625 K CB 0.047 32.549 32.500 0.002 0.000 0.714 625 K HN 0.503 nan 8.250 nan 0.000 0.447 626 E N -1.067 119.136 120.200 0.004 0.000 2.077 626 E HA -0.178 4.157 4.350 -0.025 0.000 0.193 626 E C 1.705 178.311 176.600 0.011 0.000 0.989 626 E CA 1.169 57.573 56.400 0.007 0.000 0.800 626 E CB -0.198 29.506 29.700 0.007 0.000 0.746 626 E HN 0.396 nan 8.360 nan 0.000 0.452 627 A N 0.959 123.785 122.820 0.011 0.000 1.929 627 A HA 0.005 4.310 4.320 -0.025 0.000 0.216 627 A C 2.375 179.969 177.584 0.016 0.000 1.176 627 A CA 1.460 53.507 52.037 0.018 0.000 0.628 627 A CB -0.667 18.344 19.000 0.018 0.000 0.816 627 A HN 0.404 nan 8.150 nan 0.000 0.444 628 A N 0.152 122.978 122.820 0.010 0.000 1.908 628 A HA -0.198 4.107 4.320 -0.025 0.000 0.218 628 A C 1.902 179.492 177.584 0.010 0.000 1.181 628 A CA 1.705 53.747 52.037 0.009 0.000 0.627 628 A CB -0.533 18.471 19.000 0.007 0.000 0.818 628 A HN 0.646 nan 8.150 nan 0.000 0.445 629 E N -0.287 119.919 120.200 0.011 0.000 2.106 629 E HA -0.063 4.272 4.350 -0.025 0.000 0.192 629 E C 2.297 178.905 176.600 0.013 0.000 0.984 629 E CA 0.827 57.234 56.400 0.011 0.000 0.806 629 E CB -0.279 29.427 29.700 0.009 0.000 0.750 629 E HN 0.625 nan 8.360 nan 0.000 0.458 630 A N 1.352 124.181 122.820 0.016 0.000 1.898 630 A HA -0.153 4.152 4.320 -0.025 0.000 0.216 630 A C 2.182 179.780 177.584 0.024 0.000 1.181 630 A CA 0.978 53.027 52.037 0.019 0.000 0.620 630 A CB -0.553 18.461 19.000 0.022 0.000 0.819 630 A HN 0.125 nan 8.150 nan 0.000 0.442 631 I N -0.634 119.951 120.570 0.026 0.000 2.226 631 I HA -0.254 3.901 4.170 -0.025 0.000 0.245 631 I C 2.582 178.712 176.117 0.021 0.000 1.100 631 I CA 1.806 63.122 61.300 0.028 0.000 1.374 631 I CB -0.310 37.703 38.000 0.022 0.000 1.057 631 I HN 0.539 nan 8.210 nan 0.000 0.413 632 E N 1.404 121.613 120.200 0.015 0.000 2.047 632 E HA -0.213 4.122 4.350 -0.025 0.000 0.191 632 E C 2.305 178.915 176.600 0.017 0.000 0.987 632 E CA 1.183 57.590 56.400 0.012 0.000 0.799 632 E CB -0.031 29.674 29.700 0.007 0.000 0.752 632 E HN 0.450 nan 8.360 nan 0.000 0.449 633 A N 0.927 123.757 122.820 0.016 0.000 2.024 633 A HA -0.197 4.108 4.320 -0.025 0.000 0.220 633 A C 1.913 179.509 177.584 0.021 0.000 1.164 633 A CA 1.662 53.709 52.037 0.017 0.000 0.643 633 A CB -0.415 18.593 19.000 0.014 0.000 0.806 633 A HN 0.226 nan 8.150 nan 0.000 0.451 634 E N -0.793 119.423 120.200 0.027 0.000 2.511 634 E HA 0.234 4.569 4.350 -0.025 0.000 0.196 634 E C 1.056 177.685 176.600 0.050 0.000 1.066 634 E CA 0.629 57.051 56.400 0.036 0.000 0.871 634 E CB -0.601 29.123 29.700 0.040 0.000 0.863 634 E HN 0.749 nan 8.360 nan 0.000 0.520 635 G N -0.298 108.528 108.800 0.043 0.000 2.198 635 G HA2 -0.300 3.645 3.960 -0.025 0.000 0.257 635 G HA3 -0.300 3.645 3.960 -0.025 0.000 0.257 635 G C 0.897 175.835 174.900 0.062 0.000 1.042 635 G CA 0.507 45.639 45.100 0.053 0.000 0.791 635 G HN 0.462 nan 8.290 nan 0.000 0.502 636 A N -0.987 121.855 122.820 0.037 0.000 2.067 636 A HA 0.271 4.576 4.320 -0.025 0.000 0.217 636 A C 2.408 179.980 177.584 -0.020 0.000 1.156 636 A CA 2.354 54.397 52.037 0.011 0.000 0.683 636 A CB -0.433 18.570 19.000 0.004 0.000 0.808 636 A HN 0.725 nan 8.150 nan 0.000 0.455 637 T N 0.655 115.202 114.554 -0.012 0.000 2.665 637 T HA -0.158 4.176 4.350 -0.025 0.000 0.268 637 T C 2.232 176.914 174.700 -0.030 0.000 1.035 637 T CA 1.820 63.903 62.100 -0.028 0.000 1.151 637 T CB -0.464 68.393 68.868 -0.018 0.000 0.862 637 T HN 0.610 nan 8.240 nan 0.000 0.438 638 A N 2.370 125.187 122.820 -0.004 0.000 1.851 638 A HA -0.062 4.243 4.320 -0.025 0.000 0.216 638 A C 0.523 178.088 177.584 -0.033 0.000 1.195 638 A CA 1.595 53.634 52.037 0.004 0.000 0.622 638 A CB -1.632 17.397 19.000 0.049 0.000 0.831 638 A HN 0.437 nan 8.150 nan 0.000 0.444 639 P HA -0.125 nan 4.420 nan 0.000 0.217 639 P C 1.614 178.807 177.300 -0.178 0.000 1.150 639 P CA 1.003 63.962 63.100 -0.235 0.000 0.832 639 P CB -0.221 31.115 31.700 -0.607 0.000 0.787 640 L N -0.519 120.623 121.223 -0.135 0.000 2.042 640 L HA -0.144 4.181 4.340 -0.025 0.000 0.210 640 L C 2.626 179.436 176.870 -0.100 0.000 1.076 640 L CA 2.007 56.778 54.840 -0.114 0.000 0.749 640 L CB -1.688 40.312 42.059 -0.100 0.000 0.893 640 L HN 0.019 nan 8.230 nan 0.000 0.432 641 T N -1.027 113.479 114.554 -0.081 0.000 2.788 641 T HA -0.149 4.186 4.350 -0.025 0.000 0.268 641 T C 1.755 176.445 174.700 -0.017 0.000 1.044 641 T CA 1.117 63.180 62.100 -0.062 0.000 1.139 641 T CB -0.108 68.738 68.868 -0.037 0.000 0.867 641 T HN 0.297 nan 8.240 nan 0.000 0.454 642 E N 1.165 121.360 120.200 -0.010 0.000 2.107 642 E HA 0.079 4.414 4.350 -0.025 0.000 0.191 642 E C 2.213 178.833 176.600 0.033 0.000 0.982 642 E CA 0.499 56.925 56.400 0.043 0.000 0.809 642 E CB -0.407 29.297 29.700 0.006 0.000 0.756 642 E HN 0.470 nan 8.360 nan 0.000 0.459 643 L N 0.713 121.912 121.223 -0.040 0.000 2.450 643 L HA -0.087 4.237 4.340 -0.025 0.000 0.224 643 L C 2.288 179.116 176.870 -0.070 0.000 1.149 643 L CA 0.272 55.082 54.840 -0.050 0.000 0.816 643 L CB -0.382 41.631 42.059 -0.077 0.000 0.932 643 L HN 0.086 nan 8.230 nan 0.000 0.449 644 L N -0.831 120.323 121.223 -0.115 0.000 2.265 644 L HA -0.207 4.118 4.340 -0.025 0.000 0.215 644 L C 1.935 178.618 176.870 -0.312 0.000 1.117 644 L CA 0.840 55.544 54.840 -0.227 0.000 0.782 644 L CB -0.499 41.374 42.059 -0.310 0.000 0.914 644 L HN 0.435 nan 8.230 nan 0.000 0.441 645 H N -1.561 117.484 119.070 -0.041 0.000 2.549 645 H HA 0.172 4.713 4.556 -0.025 0.000 0.279 645 H C 1.026 176.336 175.328 -0.030 0.000 1.018 645 H CA -0.117 55.912 56.048 -0.031 0.000 1.175 645 H CB 0.510 30.257 29.762 -0.026 0.000 1.485 645 H HN 0.112 nan 8.280 nan 0.000 0.543 646 S N 0.807 116.526 115.700 0.031 0.000 2.558 646 S HA -0.027 4.428 4.470 -0.025 0.000 0.287 646 S C 1.461 176.065 174.600 0.007 0.000 1.321 646 S CA -0.312 57.895 58.200 0.012 0.000 1.048 646 S CB 0.756 63.945 63.200 -0.019 0.000 0.844 646 S HN 0.450 nan 8.310 nan 0.000 0.512 647 R N 2.031 122.535 120.500 0.008 0.000 2.276 647 R HA 0.071 4.396 4.340 -0.025 0.000 0.203 647 R C 0.487 176.781 176.300 -0.011 0.000 1.017 647 R CA 0.268 56.370 56.100 0.003 0.000 1.010 647 R CB -0.119 30.184 30.300 0.005 0.000 0.900 647 R HN 0.503 nan 8.270 nan 0.000 0.469 648 N N 1.569 120.258 118.700 -0.019 0.000 2.426 648 N HA -0.022 4.703 4.740 -0.025 0.000 0.257 648 N C 0.466 175.942 175.510 -0.056 0.000 1.002 648 N CA 0.068 53.099 53.050 -0.032 0.000 0.942 648 N CB 1.098 39.569 38.487 -0.028 0.000 1.112 648 N HN 0.029 nan 8.380 nan 0.000 0.499 649 E N 2.937 123.099 120.200 -0.064 0.000 2.085 649 E HA -0.156 4.179 4.350 -0.025 0.000 0.194 649 E C 1.598 178.108 176.600 -0.150 0.000 0.994 649 E CA 1.343 57.690 56.400 -0.089 0.000 0.801 649 E CB -0.367 29.287 29.700 -0.077 0.000 0.743 649 E HN 0.807 nan 8.360 nan 0.000 0.453 650 G N 1.570 110.267 108.800 -0.170 0.000 2.446 650 G HA2 -0.239 3.706 3.960 -0.025 0.000 0.217 650 G HA3 -0.239 3.706 3.960 -0.025 0.000 0.217 650 G C 1.881 176.590 174.900 -0.320 0.000 1.168 650 G CA 1.112 46.027 45.100 -0.309 0.000 0.771 650 G HN 0.194 nan 8.290 nan 0.000 0.551 651 V N 1.517 121.347 119.914 -0.141 0.000 2.295 651 V HA -0.126 3.979 4.120 -0.025 0.000 0.246 651 V C 3.333 179.380 176.094 -0.078 0.000 1.049 651 V CA 2.069 64.328 62.300 -0.069 0.000 1.024 651 V CB -0.840 30.960 31.823 -0.038 0.000 0.648 651 V HN 0.486 nan 8.190 nan 0.000 0.447 652 A N -0.388 122.375 122.820 -0.095 0.000 1.933 652 A HA -0.208 4.097 4.320 -0.025 0.000 0.218 652 A C 2.389 179.918 177.584 -0.091 0.000 1.175 652 A CA 2.446 54.428 52.037 -0.092 0.000 0.628 652 A CB -0.871 18.075 19.000 -0.091 0.000 0.814 652 A HN 0.518 nan 8.150 nan 0.000 0.444 653 T N -1.102 113.372 114.554 -0.133 0.000 2.737 653 T HA -0.113 4.222 4.350 -0.025 0.000 0.265 653 T C 1.787 176.476 174.700 -0.018 0.000 1.038 653 T CA 1.612 63.644 62.100 -0.113 0.000 1.144 653 T CB -0.435 68.298 68.868 -0.225 0.000 0.866 653 T HN 0.487 nan 8.240 nan 0.000 0.434 654 Y N 1.697 121.975 120.300 -0.036 0.000 2.181 654 Y HA 0.076 4.611 4.550 -0.026 0.000 0.288 654 Y C 2.777 178.634 175.900 -0.072 0.000 1.146 654 Y CA -0.049 58.017 58.100 -0.056 0.000 1.164 654 Y CB -1.371 37.026 38.460 -0.104 0.000 0.982 654 Y HN 0.200 nan 8.280 nan 0.000 0.515 655 A N 0.159 123.019 122.820 0.066 0.000 1.883 655 A HA -0.174 4.131 4.320 -0.025 0.000 0.217 655 A C 2.547 180.089 177.584 -0.069 0.000 1.186 655 A CA 2.295 54.317 52.037 -0.025 0.000 0.624 655 A CB -1.255 17.706 19.000 -0.065 0.000 0.822 655 A HN 0.387 nan 8.150 nan 0.000 0.444 656 A N -0.319 122.455 122.820 -0.076 0.000 1.902 656 A HA 0.165 4.470 4.320 -0.025 0.000 0.217 656 A C 2.500 180.038 177.584 -0.076 0.000 1.181 656 A CA 2.101 54.034 52.037 -0.174 0.000 0.623 656 A CB -1.001 17.959 19.000 -0.066 0.000 0.818 656 A HN 1.115 nan 8.150 nan 0.000 0.443 657 A N -0.526 122.368 122.820 0.123 0.000 1.933 657 A HA 0.005 4.310 4.320 -0.025 0.000 0.218 657 A C 2.211 179.863 177.584 0.113 0.000 1.175 657 A CA 1.783 53.947 52.037 0.212 0.000 0.628 657 A CB -0.854 18.273 19.000 0.212 0.000 0.814 657 A HN 0.391 nan 8.150 nan 0.000 0.444 658 V N 0.066 119.996 119.914 0.027 0.000 2.307 658 V HA -0.249 3.856 4.120 -0.025 0.000 0.245 658 V C 2.543 178.618 176.094 -0.033 0.000 1.045 658 V CA 1.923 64.215 62.300 -0.012 0.000 1.024 658 V CB -0.798 30.998 31.823 -0.045 0.000 0.651 658 V HN 0.569 nan 8.190 nan 0.000 0.449 659 L N -1.474 119.681 121.223 -0.113 0.000 2.083 659 L HA -0.146 4.179 4.340 -0.025 0.000 0.209 659 L C 2.448 179.239 176.870 -0.133 0.000 1.083 659 L CA 1.520 56.252 54.840 -0.179 0.000 0.752 659 L CB -0.595 41.270 42.059 -0.324 0.000 0.899 659 L HN 0.234 nan 8.230 nan 0.000 0.433 660 F N 0.101 120.046 119.950 -0.008 0.000 2.113 660 F HA -0.177 4.335 4.527 -0.025 0.000 0.297 660 F C 2.797 178.594 175.800 -0.006 0.000 1.103 660 F CA 1.245 59.241 58.000 -0.006 0.000 1.248 660 F CB -0.643 38.355 39.000 -0.004 0.000 0.999 660 F HN -0.086 nan 8.300 nan 0.000 0.475 661 R N 0.198 120.809 120.500 0.184 0.000 2.105 661 R HA -0.162 4.163 4.340 -0.025 0.000 0.239 661 R C 2.050 178.387 176.300 0.061 0.000 1.135 661 R CA 1.595 57.753 56.100 0.096 0.000 0.967 661 R CB -0.392 29.945 30.300 0.062 0.000 0.861 661 R HN 0.256 nan 8.270 nan 0.000 0.442 662 M N -0.877 118.749 119.600 0.043 0.000 2.349 662 M HA -0.031 4.434 4.480 -0.025 0.000 0.266 662 M C 1.955 178.272 176.300 0.028 0.000 1.076 662 M CA 1.039 56.352 55.300 0.021 0.000 1.126 662 M CB 0.180 32.780 32.600 -0.001 0.000 1.392 662 M HN 0.110 nan 8.290 nan 0.000 0.440 663 S N 0.617 116.347 115.700 0.050 0.000 2.325 663 S HA -0.057 4.398 4.470 -0.025 0.000 0.214 663 S C 0.838 175.473 174.600 0.059 0.000 1.031 663 S CA 0.814 59.048 58.200 0.056 0.000 0.972 663 S CB -0.242 63.013 63.200 0.091 0.000 0.908 663 S HN 0.505 nan 8.310 nan 0.000 0.453 664 E N 2.589 122.836 120.200 0.078 0.000 1.802 664 E HA 0.258 4.593 4.350 -0.025 0.000 0.265 664 E C -1.256 175.365 176.600 0.036 0.000 1.168 664 E CA -0.021 56.411 56.400 0.052 0.000 1.033 664 E CB -0.150 29.580 29.700 0.049 0.000 1.095 664 E HN 0.249 nan 8.360 nan 0.000 0.436 665 D N 0.000 120.416 120.400 0.027 0.000 6.856 665 D HA 0.000 4.625 4.640 -0.025 0.000 0.175 665 D CA 0.000 54.011 54.000 0.018 0.000 0.868 665 D CB 0.000 40.810 40.800 0.016 0.000 0.688 665 D HN 0.000 nan 8.370 nan 0.000 0.683