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 1p22_1_A DATA FIRST_RESID 135 DATA SEQUENCE SPAIMLQRDF ITALPARGLD HIAENILSYL DAKSLCAAEL VCKEWYRVTS DATA SEQUENCE DGMLWKKLIE RMVRTDSLWR GLAERRGWGQ YLFXXXXXXX XXPPNSFYRA DATA SEQUENCE LYPKIIQDIE TIESNWRCGR HSLQRIHCRS ETSKGVYCLQ YDDQKIVSGL DATA SEQUENCE RDNTIKIWDK NTLECKRILT GHTGSVLCLQ YDERVIITGS SDSTVRVWDV DATA SEQUENCE NTGEMLNTLI HHCEAVLHLR FNNGMMVTCS KDRSIAVWDM ASPTDITLRR DATA SEQUENCE VLVGHRAAVN VVDFDDKYIV SASGDRTIKV WNTSTCEFVR TLNGHKRGIA DATA SEQUENCE CLQYRDRLVV SGSSDNTIRL WDIECGACLR VLEGHEELVR CIRFDNKRIV DATA SEQUENCE SGAYDGKIKV WDLVAALDPR APAGTLCLRT LVEHSGRVFR LQFDEFQIVS DATA SEQUENCE SSHDDTILIW D 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 135 S HA 0.000 nan 4.470 nan 0.000 0.327 135 S C 0.000 174.604 174.600 0.006 0.000 1.055 135 S CA 0.000 58.203 58.200 0.006 0.000 1.107 135 S CB 0.000 63.205 63.200 0.008 0.000 0.593 136 P HA 0.891 nan 4.420 nan 0.000 0.219 136 P C -0.444 176.858 177.300 0.003 0.000 1.847 136 P CA 0.584 63.688 63.100 0.007 0.000 1.110 136 P CB -0.298 31.407 31.700 0.009 0.000 1.839 137 A N 0.806 123.626 122.820 0.000 0.000 3.426 137 A HA 0.561 4.836 4.320 -0.076 0.000 0.222 137 A C 0.064 177.642 177.584 -0.009 0.000 1.090 137 A CA 0.711 52.746 52.037 -0.003 0.000 1.026 137 A CB -0.285 18.714 19.000 -0.003 0.000 1.342 137 A HN 1.402 nan 8.150 nan 0.000 0.695 138 I N -0.700 119.862 120.570 -0.012 0.000 2.788 138 I HA 0.685 4.810 4.170 -0.076 0.000 0.322 138 I C -0.245 175.854 176.117 -0.030 0.000 1.494 138 I CA 0.176 61.462 61.300 -0.023 0.000 0.814 138 I CB -0.784 37.197 38.000 -0.031 0.000 1.795 138 I HN 1.593 nan 8.210 nan 0.000 0.607 139 M N -0.595 118.994 119.600 -0.020 0.000 7.319 139 M HA -0.206 4.229 4.480 -0.076 0.000 0.157 139 M C 0.749 177.039 176.300 -0.016 0.000 0.480 139 M CA 1.390 56.679 55.300 -0.019 0.000 1.311 139 M CB -0.598 31.985 32.600 -0.027 0.000 0.421 139 M HN 1.320 nan 8.290 nan 0.000 0.190 140 L N 1.370 122.587 121.223 -0.009 0.000 2.551 140 L HA -0.203 4.091 4.340 -0.076 0.000 0.230 140 L C 1.867 178.716 176.870 -0.035 0.000 1.163 140 L CA 1.949 56.789 54.840 -0.000 0.000 0.826 140 L CB -0.426 41.636 42.059 0.006 0.000 0.943 140 L HN 0.862 nan 8.230 nan 0.000 0.452 141 Q N 0.460 120.225 119.800 -0.059 0.000 1.992 141 Q HA -0.252 4.043 4.340 -0.076 0.000 0.216 141 Q C 0.314 176.227 176.000 -0.144 0.000 1.047 141 Q CA 1.720 57.472 55.803 -0.086 0.000 0.899 141 Q CB -0.081 28.604 28.738 -0.088 0.000 1.021 141 Q HN 0.443 nan 8.270 nan 0.000 0.421 142 R N 2.284 122.613 120.500 -0.285 0.000 2.449 142 R HA -0.011 4.284 4.340 -0.076 0.000 0.296 142 R C -0.571 175.470 176.300 -0.432 0.000 1.047 142 R CA 0.109 55.929 56.100 -0.466 0.000 1.018 142 R CB 0.040 29.902 30.300 -0.730 0.000 0.962 142 R HN 0.288 nan 8.270 nan 0.000 0.428 143 D N 4.086 124.394 120.400 -0.152 0.000 2.468 143 D HA 0.025 4.620 4.640 -0.076 0.000 0.218 143 D C 0.632 177.002 176.300 0.117 0.000 1.155 143 D CA -0.435 53.641 54.000 0.127 0.000 0.924 143 D CB 0.044 40.964 40.800 0.200 0.000 1.029 143 D HN 0.267 nan 8.370 nan 0.000 0.515 144 F N 2.582 122.608 119.950 0.126 0.000 2.095 144 F HA -0.152 4.330 4.527 -0.076 0.000 0.298 144 F C 2.252 178.006 175.800 -0.078 0.000 1.104 144 F CA 0.884 58.891 58.000 0.011 0.000 1.232 144 F CB -0.715 38.273 39.000 -0.020 0.000 0.987 144 F HN 0.466 nan 8.300 nan 0.000 0.475 145 I N -2.118 118.468 120.570 0.027 0.000 3.291 145 I HA -0.013 4.111 4.170 -0.076 0.000 0.279 145 I C 1.896 177.881 176.117 -0.220 0.000 1.294 145 I CA 1.705 62.812 61.300 -0.322 0.000 1.428 145 I CB -1.013 36.471 38.000 -0.860 0.000 1.070 145 I HN 0.142 nan 8.210 nan 0.000 0.478 146 T N -0.951 113.607 114.554 0.007 0.000 3.015 146 T HA 0.370 4.675 4.350 -0.076 0.000 0.250 146 T C 1.876 176.596 174.700 0.034 0.000 1.057 146 T CA 0.656 62.796 62.100 0.067 0.000 1.066 146 T CB -0.192 68.802 68.868 0.211 0.000 0.959 146 T HN 0.406 nan 8.240 nan 0.000 0.488 147 A N 1.632 124.469 122.820 0.027 0.000 1.873 147 A HA 0.211 4.485 4.320 -0.076 0.000 0.215 147 A C 2.265 179.838 177.584 -0.018 0.000 1.186 147 A CA 1.261 53.294 52.037 -0.008 0.000 0.616 147 A CB -0.865 18.104 19.000 -0.051 0.000 0.823 147 A HN 0.539 nan 8.150 nan 0.000 0.442 148 L N -0.509 120.701 121.223 -0.022 0.000 1.994 148 L HA -0.113 4.181 4.340 -0.076 0.000 0.208 148 L C -0.453 176.381 176.870 -0.060 0.000 1.071 148 L CA 1.541 56.354 54.840 -0.045 0.000 0.745 148 L CB -1.473 40.548 42.059 -0.062 0.000 0.892 148 L HN 0.226 nan 8.230 nan 0.000 0.431 149 P HA -0.184 nan 4.420 nan 0.000 0.215 149 P C 1.311 178.597 177.300 -0.023 0.000 1.153 149 P CA 1.732 64.804 63.100 -0.047 0.000 0.853 149 P CB -0.053 31.622 31.700 -0.041 0.000 0.788 150 A N -0.929 121.883 122.820 -0.014 0.000 2.225 150 A HA -0.125 4.149 4.320 -0.076 0.000 0.215 150 A C 2.010 179.589 177.584 -0.008 0.000 1.164 150 A CA 1.154 53.188 52.037 -0.005 0.000 0.710 150 A CB -0.789 18.212 19.000 0.001 0.000 0.780 150 A HN -0.003 nan 8.150 nan 0.000 0.473 151 R N -1.617 118.874 120.500 -0.015 0.000 2.509 151 R HA 0.219 4.513 4.340 -0.076 0.000 0.300 151 R C 1.186 177.482 176.300 -0.008 0.000 0.985 151 R CA 0.730 56.822 56.100 -0.012 0.000 1.092 151 R CB 0.012 30.302 30.300 -0.017 0.000 1.237 151 R HN 0.704 nan 8.270 nan 0.000 0.546 152 G N 0.696 109.492 108.800 -0.006 0.000 2.234 152 G HA2 -0.235 3.680 3.960 -0.076 0.000 0.235 152 G HA3 -0.235 3.680 3.960 -0.076 0.000 0.235 152 G C 0.172 175.075 174.900 0.005 0.000 0.997 152 G CA -0.167 44.938 45.100 0.009 0.000 0.623 152 G HN 0.257 nan 8.290 nan 0.000 0.514 153 L N 1.724 122.914 121.223 -0.054 0.000 2.494 153 L HA 0.433 4.728 4.340 -0.076 0.000 0.251 153 L C 0.653 177.342 176.870 -0.301 0.000 1.119 153 L CA -0.783 53.945 54.840 -0.187 0.000 1.026 153 L CB 0.872 42.811 42.059 -0.199 0.000 1.370 153 L HN -0.043 nan 8.230 nan 0.000 0.426 154 D N 0.180 120.464 120.400 -0.193 0.000 2.107 154 D HA -0.151 4.444 4.640 -0.076 0.000 0.204 154 D C 1.857 178.041 176.300 -0.193 0.000 0.978 154 D CA 1.774 55.694 54.000 -0.134 0.000 0.852 154 D CB -0.080 40.706 40.800 -0.023 0.000 1.008 154 D HN 0.660 nan 8.370 nan 0.000 0.458 155 H N 0.665 119.704 119.070 -0.051 0.000 2.375 155 H HA -0.189 4.321 4.556 -0.076 0.000 0.289 155 H C 1.993 177.285 175.328 -0.060 0.000 1.121 155 H CA 1.639 57.652 56.048 -0.059 0.000 1.207 155 H CB -0.813 28.921 29.762 -0.047 0.000 1.355 155 H HN 0.184 nan 8.280 nan 0.000 0.486 156 I N 0.932 121.223 120.570 -0.465 0.000 2.127 156 I HA -0.268 3.857 4.170 -0.076 0.000 0.241 156 I C 2.945 178.971 176.117 -0.152 0.000 1.075 156 I CA 1.249 62.410 61.300 -0.231 0.000 1.334 156 I CB -1.008 36.846 38.000 -0.244 0.000 1.040 156 I HN 0.565 nan 8.210 nan 0.000 0.405 157 A N 0.970 123.682 122.820 -0.179 0.000 1.902 157 A HA -0.217 4.058 4.320 -0.076 0.000 0.217 157 A C 2.203 179.675 177.584 -0.187 0.000 1.181 157 A CA 1.753 53.680 52.037 -0.183 0.000 0.623 157 A CB -0.648 18.231 19.000 -0.202 0.000 0.818 157 A HN 0.535 nan 8.150 nan 0.000 0.443 158 E N 0.175 120.280 120.200 -0.158 0.000 2.051 158 E HA -0.196 4.109 4.350 -0.076 0.000 0.192 158 E C 1.713 178.225 176.600 -0.146 0.000 0.991 158 E CA 1.163 57.474 56.400 -0.149 0.000 0.799 158 E CB -0.362 29.271 29.700 -0.111 0.000 0.748 158 E HN 0.572 nan 8.360 nan 0.000 0.449 159 N N 1.158 119.792 118.700 -0.110 0.000 2.104 159 N HA -0.150 4.545 4.740 -0.076 0.000 0.190 159 N C 2.004 177.470 175.510 -0.073 0.000 1.024 159 N CA 1.001 53.982 53.050 -0.115 0.000 0.853 159 N CB -0.254 38.207 38.487 -0.043 0.000 1.008 159 N HN 0.208 nan 8.380 nan 0.000 0.424 160 I N 1.281 121.842 120.570 -0.015 0.000 2.113 160 I HA -0.245 3.880 4.170 -0.076 0.000 0.238 160 I C 2.228 178.359 176.117 0.023 0.000 1.070 160 I CA 0.916 62.246 61.300 0.049 0.000 1.332 160 I CB -0.310 37.629 38.000 -0.100 0.000 1.044 160 I HN 0.046 nan 8.210 nan 0.000 0.402 161 L N 0.560 121.710 121.223 -0.121 0.000 2.081 161 L HA -0.252 4.043 4.340 -0.076 0.000 0.212 161 L C 2.793 179.573 176.870 -0.149 0.000 1.080 161 L CA 1.821 56.569 54.840 -0.154 0.000 0.754 161 L CB -0.841 41.084 42.059 -0.225 0.000 0.893 161 L HN 0.426 nan 8.230 nan 0.000 0.433 162 S N -0.790 114.792 115.700 -0.197 0.000 2.440 162 S HA -0.234 4.190 4.470 -0.076 0.000 0.238 162 S C 1.712 176.147 174.600 -0.274 0.000 1.010 162 S CA 0.998 59.032 58.200 -0.277 0.000 0.972 162 S CB -0.771 62.233 63.200 -0.326 0.000 0.774 162 S HN 0.487 nan 8.310 nan 0.000 0.501 163 Y N 1.775 121.989 120.300 -0.144 0.000 2.632 163 Y HA 0.344 4.848 4.550 -0.076 0.000 0.301 163 Y C 0.997 176.821 175.900 -0.126 0.000 1.172 163 Y CA -0.189 57.839 58.100 -0.120 0.000 1.328 163 Y CB -0.407 37.991 38.460 -0.103 0.000 1.016 163 Y HN 0.245 nan 8.280 nan 0.000 0.529 164 L N 1.688 122.890 121.223 -0.034 0.000 2.395 164 L HA 0.135 4.430 4.340 -0.076 0.000 0.269 164 L C 0.428 177.218 176.870 -0.133 0.000 1.133 164 L CA -0.743 54.051 54.840 -0.077 0.000 0.812 164 L CB 0.465 42.459 42.059 -0.109 0.000 1.125 164 L HN 0.230 nan 8.230 nan 0.000 0.452 165 D N 1.775 122.118 120.400 -0.096 0.000 2.358 165 D HA 0.137 4.732 4.640 -0.076 0.000 0.244 165 D C 0.709 176.901 176.300 -0.180 0.000 1.163 165 D CA -0.171 53.766 54.000 -0.105 0.000 0.945 165 D CB 1.697 42.480 40.800 -0.029 0.000 1.152 165 D HN 0.548 nan 8.370 nan 0.000 0.451 166 A N 1.773 124.458 122.820 -0.225 0.000 1.865 166 A HA -0.195 4.079 4.320 -0.076 0.000 0.217 166 A C 1.304 178.854 177.584 -0.056 0.000 1.191 166 A CA 1.118 52.960 52.037 -0.326 0.000 0.623 166 A CB -0.625 18.014 19.000 -0.602 0.000 0.826 166 A HN 0.648 nan 8.150 nan 0.000 0.444 167 K N 0.138 120.544 120.400 0.011 0.000 2.199 167 K HA 0.313 4.587 4.320 -0.076 0.000 0.226 167 K C 0.091 176.711 176.600 0.032 0.000 1.237 167 K CA 0.540 56.860 56.287 0.055 0.000 1.170 167 K CB 0.016 32.559 32.500 0.072 0.000 1.418 167 K HN 0.339 nan 8.250 nan 0.000 0.255 168 S N 0.002 115.717 115.700 0.025 0.000 1.863 168 S HA -0.123 4.301 4.470 -0.076 0.000 0.094 168 S C 0.544 175.140 174.600 -0.007 0.000 0.493 168 S CA -0.181 58.027 58.200 0.012 0.000 1.576 168 S CB -0.696 62.500 63.200 -0.006 0.000 0.815 168 S HN 0.430 nan 8.310 nan 0.000 0.286 169 L N 2.672 123.838 121.223 -0.094 0.000 2.156 169 L HA 0.262 4.557 4.340 -0.076 0.000 0.208 169 L C 2.187 179.076 176.870 0.031 0.000 1.095 169 L CA 2.264 57.005 54.840 -0.166 0.000 0.770 169 L CB -0.869 40.850 42.059 -0.567 0.000 0.914 169 L HN 0.638 nan 8.230 nan 0.000 0.439 170 C N -0.361 119.024 119.300 0.141 0.000 2.413 170 C HA -0.134 4.281 4.460 -0.076 0.000 0.277 170 C C 2.962 178.046 174.990 0.156 0.000 1.265 170 C CA 0.758 59.909 59.018 0.221 0.000 1.752 170 C CB -1.452 26.395 27.740 0.179 0.000 1.998 170 C HN 0.742 nan 8.230 nan 0.000 0.489 171 A N 0.451 123.338 122.820 0.113 0.000 1.832 171 A HA 0.077 4.351 4.320 -0.076 0.000 0.214 171 A C 2.424 180.096 177.584 0.148 0.000 1.200 171 A CA 2.138 54.236 52.037 0.102 0.000 0.610 171 A CB -1.301 17.744 19.000 0.075 0.000 0.842 171 A HN 0.579 nan 8.150 nan 0.000 0.444 172 A N -0.470 122.467 122.820 0.194 0.000 1.927 172 A HA -0.301 3.974 4.320 -0.076 0.000 0.220 172 A C 1.941 179.732 177.584 0.346 0.000 1.185 172 A CA 2.152 54.412 52.037 0.371 0.000 0.639 172 A CB -0.815 18.353 19.000 0.280 0.000 0.820 172 A HN 0.674 nan 8.150 nan 0.000 0.451 173 E N -1.744 118.589 120.200 0.222 0.000 2.233 173 E HA -0.203 4.101 4.350 -0.076 0.000 0.199 173 E C 1.120 177.935 176.600 0.359 0.000 1.004 173 E CA 1.230 57.762 56.400 0.219 0.000 0.819 173 E CB -0.026 29.802 29.700 0.212 0.000 0.738 173 E HN 0.441 nan 8.360 nan 0.000 0.478 174 L N -1.061 120.313 121.223 0.252 0.000 2.966 174 L HA 0.109 4.404 4.340 -0.076 0.000 0.262 174 L C 1.341 178.262 176.870 0.085 0.000 1.165 174 L CA 0.318 55.267 54.840 0.182 0.000 0.978 174 L CB 0.699 42.838 42.059 0.133 0.000 1.337 174 L HN -0.092 nan 8.230 nan 0.000 0.563 175 V N -0.086 119.861 119.914 0.056 0.000 2.233 175 V HA -0.202 3.873 4.120 -0.076 0.000 0.247 175 V C 1.170 177.181 176.094 -0.137 0.000 1.050 175 V CA 1.518 63.722 62.300 -0.160 0.000 1.010 175 V CB -0.536 30.960 31.823 -0.545 0.000 0.637 175 V HN 0.684 nan 8.190 nan 0.000 0.444 176 C N -3.051 116.243 119.300 -0.010 0.000 3.320 176 C HA 0.595 5.009 4.460 -0.076 0.000 0.335 176 C C 1.091 176.192 174.990 0.185 0.000 1.430 176 C CA -0.871 58.170 59.018 0.037 0.000 1.271 176 C CB 1.437 29.155 27.740 -0.037 0.000 1.609 176 C HN 0.157 nan 8.230 nan 0.000 0.457 177 K N 0.748 121.229 120.400 0.135 0.000 2.147 177 K HA -0.107 4.167 4.320 -0.076 0.000 0.205 177 K C 1.756 178.501 176.600 0.241 0.000 1.049 177 K CA 2.500 58.876 56.287 0.148 0.000 0.936 177 K CB -0.315 32.222 32.500 0.062 0.000 0.722 177 K HN 0.863 nan 8.250 nan 0.000 0.446 178 E N -1.388 118.961 120.200 0.249 0.000 2.102 178 E HA -0.057 4.247 4.350 -0.076 0.000 0.190 178 E C 1.619 178.384 176.600 0.275 0.000 0.971 178 E CA 0.919 57.458 56.400 0.231 0.000 0.821 178 E CB -0.403 29.422 29.700 0.210 0.000 0.777 178 E HN 0.277 nan 8.360 nan 0.000 0.460 179 W N 0.189 121.541 121.300 0.087 0.000 2.321 179 W HA -0.205 4.410 4.660 -0.076 0.000 0.306 179 W C 2.184 178.755 176.519 0.087 0.000 1.217 179 W CA 1.820 59.209 57.345 0.073 0.000 1.257 179 W CB -1.193 28.310 29.460 0.072 0.000 1.145 179 W HN 0.249 nan 8.180 nan 0.000 0.509 180 Y N 0.787 121.239 120.300 0.253 0.000 2.070 180 Y HA -0.299 4.205 4.550 -0.076 0.000 0.280 180 Y C 2.860 178.826 175.900 0.109 0.000 1.148 180 Y CA 2.693 60.891 58.100 0.162 0.000 1.125 180 Y CB -0.774 37.762 38.460 0.127 0.000 0.975 180 Y HN -0.173 nan 8.280 nan 0.000 0.492 181 R N -0.275 120.401 120.500 0.294 0.000 2.103 181 R HA -0.194 4.101 4.340 -0.076 0.000 0.242 181 R C 2.062 178.376 176.300 0.023 0.000 1.142 181 R CA 2.055 58.254 56.100 0.165 0.000 0.960 181 R CB -0.643 29.749 30.300 0.154 0.000 0.858 181 R HN 0.376 nan 8.270 nan 0.000 0.439 182 V N 0.535 120.441 119.914 -0.014 0.000 2.407 182 V HA -0.260 3.815 4.120 -0.076 0.000 0.248 182 V C 2.548 178.571 176.094 -0.118 0.000 1.055 182 V CA 2.282 64.529 62.300 -0.088 0.000 1.049 182 V CB -0.785 30.938 31.823 -0.166 0.000 0.662 182 V HN 0.667 nan 8.190 nan 0.000 0.455 183 T N -3.521 110.948 114.554 -0.141 0.000 2.904 183 T HA -0.158 4.147 4.350 -0.076 0.000 0.267 183 T C 2.026 176.646 174.700 -0.133 0.000 1.059 183 T CA 1.748 63.749 62.100 -0.166 0.000 1.137 183 T CB -0.237 68.528 68.868 -0.171 0.000 0.879 183 T HN 0.336 nan 8.240 nan 0.000 0.467 184 S N 0.937 116.545 115.700 -0.153 0.000 2.371 184 S HA -0.050 4.375 4.470 -0.076 0.000 0.224 184 S C 1.688 176.268 174.600 -0.033 0.000 1.029 184 S CA 0.943 59.096 58.200 -0.078 0.000 0.978 184 S CB -0.603 62.568 63.200 -0.048 0.000 0.833 184 S HN 0.501 nan 8.310 nan 0.000 0.466 185 D N 0.397 120.779 120.400 -0.031 0.000 2.363 185 D HA 0.093 4.688 4.640 -0.076 0.000 0.220 185 D C 1.329 177.600 176.300 -0.049 0.000 0.994 185 D CA 0.446 54.432 54.000 -0.024 0.000 0.890 185 D CB -0.147 40.648 40.800 -0.009 0.000 0.906 185 D HN 0.460 nan 8.370 nan 0.000 0.530 186 G N -0.162 108.593 108.800 -0.076 0.000 3.502 186 G HA2 0.074 3.988 3.960 -0.076 0.000 0.267 186 G HA3 0.074 3.988 3.960 -0.076 0.000 0.267 186 G C 0.572 175.396 174.900 -0.126 0.000 1.090 186 G CA -0.300 44.741 45.100 -0.098 0.000 0.795 186 G HN -0.031 nan 8.290 nan 0.000 0.535 187 M N 0.222 119.752 119.600 -0.117 0.000 2.299 187 M HA -0.161 4.273 4.480 -0.076 0.000 0.180 187 M C 0.931 177.126 176.300 -0.176 0.000 0.826 187 M CA 0.344 55.548 55.300 -0.159 0.000 0.503 187 M CB -1.493 30.962 32.600 -0.242 0.000 1.063 187 M HN 0.194 nan 8.290 nan 0.000 0.886 188 L N -1.561 119.561 121.223 -0.168 0.000 2.551 188 L HA -0.077 4.217 4.340 -0.076 0.000 0.228 188 L C 1.677 178.275 176.870 -0.454 0.000 1.153 188 L CA 1.458 56.114 54.840 -0.307 0.000 0.851 188 L CB -0.147 41.694 42.059 -0.363 0.000 0.959 188 L HN 0.544 nan 8.230 nan 0.000 0.451 189 W N -0.460 120.771 121.300 -0.115 0.000 2.587 189 W HA -0.003 4.612 4.660 -0.076 0.000 0.307 189 W C 2.561 179.083 176.519 0.004 0.000 1.138 189 W CA 0.554 57.892 57.345 -0.012 0.000 1.450 189 W CB -0.609 28.905 29.460 0.090 0.000 1.149 189 W HN -0.114 nan 8.180 nan 0.000 0.512 190 K N 1.174 121.567 120.400 -0.013 0.000 2.056 190 K HA -0.372 3.903 4.320 -0.076 0.000 0.225 190 K C 1.884 178.429 176.600 -0.092 0.000 1.053 190 K CA 2.744 58.885 56.287 -0.244 0.000 0.966 190 K CB -0.494 31.501 32.500 -0.841 0.000 0.735 190 K HN 0.035 nan 8.250 nan 0.000 0.455 191 K N 0.126 120.419 120.400 -0.178 0.000 2.063 191 K HA -0.178 4.096 4.320 -0.076 0.000 0.208 191 K C 2.183 178.688 176.600 -0.158 0.000 1.048 191 K CA 1.556 57.731 56.287 -0.186 0.000 0.928 191 K CB -0.187 32.189 32.500 -0.208 0.000 0.713 191 K HN 0.203 nan 8.250 nan 0.000 0.442 192 L N 0.877 122.003 121.223 -0.162 0.000 2.156 192 L HA -0.039 4.256 4.340 -0.076 0.000 0.208 192 L C 1.742 178.607 176.870 -0.008 0.000 1.095 192 L CA 1.282 56.034 54.840 -0.147 0.000 0.770 192 L CB 0.022 41.906 42.059 -0.292 0.000 0.914 192 L HN 0.123 nan 8.230 nan 0.000 0.439 193 I N -0.814 119.842 120.570 0.143 0.000 2.500 193 I HA -0.171 3.954 4.170 -0.076 0.000 0.252 193 I C 1.988 178.237 176.117 0.221 0.000 1.142 193 I CA 0.822 62.269 61.300 0.245 0.000 1.451 193 I CB -0.289 37.965 38.000 0.423 0.000 1.093 193 I HN 0.283 nan 8.210 nan 0.000 0.430 194 E N 0.538 120.797 120.200 0.097 0.000 2.418 194 E HA -0.156 4.148 4.350 -0.076 0.000 0.197 194 E C 2.084 178.727 176.600 0.072 0.000 1.026 194 E CA 0.336 56.736 56.400 -0.000 0.000 0.862 194 E CB 0.042 29.468 29.700 -0.457 0.000 0.799 194 E HN 0.372 nan 8.360 nan 0.000 0.518 195 R N -0.003 120.498 120.500 0.002 0.000 2.173 195 R HA 0.009 4.303 4.340 -0.076 0.000 0.208 195 R C 1.972 178.255 176.300 -0.027 0.000 1.035 195 R CA 0.248 56.339 56.100 -0.016 0.000 1.004 195 R CB 0.214 30.459 30.300 -0.091 0.000 0.917 195 R HN 0.053 nan 8.270 nan 0.000 0.462 196 M N 0.281 119.823 119.600 -0.096 0.000 2.066 196 M HA -0.143 4.292 4.480 -0.076 0.000 0.259 196 M C 2.279 178.615 176.300 0.061 0.000 1.074 196 M CA 1.401 56.537 55.300 -0.273 0.000 1.114 196 M CB -1.006 31.110 32.600 -0.806 0.000 1.306 196 M HN -0.030 nan 8.290 nan 0.000 0.411 197 V N 0.191 120.300 119.914 0.324 0.000 2.233 197 V HA -0.340 3.735 4.120 -0.076 0.000 0.252 197 V C 2.372 178.627 176.094 0.269 0.000 1.063 197 V CA 2.101 64.645 62.300 0.407 0.000 1.032 197 V CB -0.823 31.319 31.823 0.531 0.000 0.645 197 V HN 0.469 nan 8.190 nan 0.000 0.446 198 R N -0.476 120.185 120.500 0.267 0.000 2.371 198 R HA -0.119 4.175 4.340 -0.076 0.000 0.226 198 R C 1.452 177.816 176.300 0.107 0.000 1.132 198 R CA 1.520 57.729 56.100 0.181 0.000 1.027 198 R CB -0.181 30.233 30.300 0.191 0.000 0.848 198 R HN 0.848 nan 8.270 nan 0.000 0.479 199 T N -3.180 111.434 114.554 0.100 0.000 3.025 199 T HA -0.001 4.303 4.350 -0.076 0.000 0.142 199 T C -0.236 174.528 174.700 0.106 0.000 0.865 199 T CA -0.630 61.514 62.100 0.073 0.000 0.837 199 T CB -0.455 68.433 68.868 0.034 0.000 1.934 199 T HN -0.124 nan 8.240 nan 0.000 0.331 200 D N 2.840 123.302 120.400 0.103 0.000 2.899 200 D HA 0.038 4.633 4.640 -0.076 0.000 0.254 200 D C 1.595 178.049 176.300 0.257 0.000 1.320 200 D CA 0.711 54.821 54.000 0.182 0.000 0.929 200 D CB 0.223 41.156 40.800 0.223 0.000 1.148 200 D HN 0.510 nan 8.370 nan 0.000 0.571 201 S N 3.502 119.299 115.700 0.162 0.000 2.502 201 S HA -0.388 4.037 4.470 -0.076 0.000 0.288 201 S C 1.830 176.510 174.600 0.134 0.000 1.186 201 S CA 1.462 59.730 58.200 0.112 0.000 1.182 201 S CB -0.628 62.605 63.200 0.056 0.000 1.135 201 S HN 0.535 nan 8.310 nan 0.000 0.442 202 L N 0.180 121.511 121.223 0.180 0.000 2.083 202 L HA 0.107 4.402 4.340 -0.076 0.000 0.209 202 L C 2.236 179.256 176.870 0.250 0.000 1.083 202 L CA 1.407 56.348 54.840 0.167 0.000 0.752 202 L CB -1.320 40.843 42.059 0.174 0.000 0.899 202 L HN 0.492 nan 8.230 nan 0.000 0.433 203 W N 0.344 121.758 121.300 0.189 0.000 2.409 203 W HA -0.081 4.533 4.660 -0.076 0.000 0.299 203 W C 2.629 179.282 176.519 0.224 0.000 1.203 203 W CA 1.444 58.940 57.345 0.252 0.000 1.298 203 W CB -0.427 29.175 29.460 0.237 0.000 1.127 203 W HN 0.098 nan 8.180 nan 0.000 0.528 204 R N -0.140 120.580 120.500 0.367 0.000 2.117 204 R HA -0.078 4.216 4.340 -0.076 0.000 0.243 204 R C 2.412 178.795 176.300 0.139 0.000 1.143 204 R CA 1.468 57.695 56.100 0.211 0.000 0.968 204 R CB -1.453 28.931 30.300 0.139 0.000 0.863 204 R HN 0.241 nan 8.270 nan 0.000 0.444 205 G N 1.811 110.746 108.800 0.226 0.000 2.505 205 G HA2 -0.210 3.705 3.960 -0.076 0.000 0.214 205 G HA3 -0.210 3.705 3.960 -0.076 0.000 0.214 205 G C 1.400 176.355 174.900 0.091 0.000 1.237 205 G CA 0.597 45.934 45.100 0.396 0.000 0.802 205 G HN 0.154 nan 8.290 nan 0.000 0.549 206 L N 1.154 122.390 121.223 0.022 0.000 2.261 206 L HA -0.064 4.230 4.340 -0.076 0.000 0.216 206 L C 3.278 179.664 176.870 -0.807 0.000 1.114 206 L CA 0.794 55.455 54.840 -0.299 0.000 0.777 206 L CB -0.298 41.723 42.059 -0.063 0.000 0.910 206 L HN 0.328 nan 8.230 nan 0.000 0.440 207 A N -0.354 121.994 122.820 -0.786 0.000 1.872 207 A HA -0.205 4.070 4.320 -0.076 0.000 0.214 207 A C 2.296 179.543 177.584 -0.561 0.000 1.187 207 A CA 1.501 52.930 52.037 -1.013 0.000 0.614 207 A CB -0.341 18.442 19.000 -0.361 0.000 0.826 207 A HN 0.408 nan 8.150 nan 0.000 0.442 208 E N -0.421 119.591 120.200 -0.313 0.000 2.047 208 E HA -0.101 4.203 4.350 -0.076 0.000 0.191 208 E C 1.402 177.849 176.600 -0.256 0.000 0.987 208 E CA 0.400 56.673 56.400 -0.210 0.000 0.799 208 E CB 0.038 29.677 29.700 -0.102 0.000 0.752 208 E HN 0.499 nan 8.360 nan 0.000 0.449 209 R N -0.037 120.273 120.500 -0.317 0.000 2.668 209 R HA 0.173 4.467 4.340 -0.076 0.000 0.268 209 R C -0.441 175.638 176.300 -0.368 0.000 1.232 209 R CA -0.199 55.701 56.100 -0.334 0.000 1.166 209 R CB 0.386 30.418 30.300 -0.447 0.000 1.179 209 R HN -0.024 nan 8.270 nan 0.000 0.606 210 R N 0.858 121.186 120.500 -0.287 0.000 2.403 210 R HA -0.307 3.987 4.340 -0.076 0.000 0.234 210 R C 0.966 177.102 176.300 -0.274 0.000 0.807 210 R CA 0.527 56.489 56.100 -0.230 0.000 0.615 210 R CB -1.927 28.257 30.300 -0.193 0.000 1.559 210 R HN 1.011 nan 8.270 nan 0.000 0.538 211 G N 2.453 111.128 108.800 -0.209 0.000 3.284 211 G HA2 -0.458 3.456 3.960 -0.076 0.000 0.351 211 G HA3 -0.458 3.456 3.960 -0.076 0.000 0.351 211 G C 1.054 175.833 174.900 -0.202 0.000 1.232 211 G CA 0.848 45.854 45.100 -0.158 0.000 1.001 211 G HN 0.860 nan 8.290 nan 0.000 0.639 212 W N 1.553 122.842 121.300 -0.019 0.000 2.233 212 W HA -0.172 4.443 4.660 -0.075 0.000 0.306 212 W C 1.975 178.518 176.519 0.041 0.000 1.260 212 W CA 1.440 58.829 57.345 0.074 0.000 1.276 212 W CB -1.610 27.985 29.460 0.225 0.000 1.127 212 W HN 0.926 nan 8.180 nan 0.000 0.530 213 G N 1.298 110.073 108.800 -0.042 0.000 2.615 213 G HA2 -0.298 3.617 3.960 -0.076 0.000 0.213 213 G HA3 -0.298 3.617 3.960 -0.076 0.000 0.213 213 G C 1.377 176.311 174.900 0.058 0.000 1.135 213 G CA 0.973 46.115 45.100 0.070 0.000 0.772 213 G HN 0.434 nan 8.290 nan 0.000 0.542 214 Q N -0.601 119.105 119.800 -0.156 0.000 2.170 214 Q HA -0.083 4.211 4.340 -0.076 0.000 0.203 214 Q C 1.564 177.441 176.000 -0.205 0.000 0.976 214 Q CA 1.371 56.981 55.803 -0.321 0.000 0.858 214 Q CB -0.246 28.079 28.738 -0.688 0.000 0.907 214 Q HN 0.785 nan 8.270 nan 0.000 0.433 215 Y N -1.428 118.991 120.300 0.198 0.000 2.478 215 Y HA 0.104 4.608 4.550 -0.075 0.000 0.261 215 Y C 0.277 176.346 175.900 0.282 0.000 1.127 215 Y CA -1.015 57.191 58.100 0.176 0.000 1.288 215 Y CB 0.546 39.048 38.460 0.070 0.000 1.084 215 Y HN 0.007 nan 8.280 nan 0.000 0.530 216 L N -0.163 121.345 121.223 0.474 0.000 2.482 216 L HA 0.134 4.428 4.340 -0.076 0.000 0.242 216 L C 0.463 177.612 176.870 0.465 0.000 1.210 216 L CA -0.865 54.263 54.840 0.481 0.000 0.819 216 L CB -0.790 41.674 42.059 0.675 0.000 1.203 216 L HN 0.184 nan 8.230 nan 0.000 0.495 228 P HA 0.162 nan 4.420 nan 0.000 0.251 228 P C 0.812 178.199 177.300 0.145 0.000 1.198 228 P CA 0.524 63.698 63.100 0.123 0.000 0.847 228 P CB 1.141 32.912 31.700 0.118 0.000 1.082 229 N N -1.351 117.501 118.700 0.255 0.000 2.928 229 N HA -0.204 4.490 4.740 -0.076 0.000 0.186 229 N C 1.111 176.778 175.510 0.262 0.000 1.280 229 N CA 1.153 54.334 53.050 0.218 0.000 1.285 229 N CB -1.464 37.076 38.487 0.087 0.000 0.961 229 N HN 0.054 nan 8.380 nan 0.000 0.549 230 S N -0.215 115.598 115.700 0.187 0.000 2.377 230 S HA 0.037 4.461 4.470 -0.076 0.000 0.223 230 S C 1.546 176.189 174.600 0.072 0.000 1.030 230 S CA 1.257 59.503 58.200 0.076 0.000 0.970 230 S CB -0.497 62.734 63.200 0.052 0.000 0.830 230 S HN 0.415 nan 8.310 nan 0.000 0.473 231 F N 1.399 121.346 119.950 -0.005 0.000 2.111 231 F HA -0.250 4.231 4.527 -0.076 0.000 0.300 231 F C 1.662 177.353 175.800 -0.181 0.000 1.088 231 F CA 2.017 59.937 58.000 -0.133 0.000 1.243 231 F CB -0.510 38.347 39.000 -0.238 0.000 0.996 231 F HN 0.318 nan 8.300 nan 0.000 0.483 232 Y N 0.094 120.479 120.300 0.141 0.000 2.070 232 Y HA -0.235 4.269 4.550 -0.076 0.000 0.279 232 Y C 2.781 178.625 175.900 -0.093 0.000 1.134 232 Y CA 2.055 60.220 58.100 0.108 0.000 1.113 232 Y CB -1.202 37.403 38.460 0.241 0.000 0.981 232 Y HN -0.031 nan 8.280 nan 0.000 0.487 233 R N 0.869 121.251 120.500 -0.197 0.000 2.139 233 R HA -0.213 4.082 4.340 -0.076 0.000 0.243 233 R C 2.030 177.998 176.300 -0.553 0.000 1.145 233 R CA 1.548 57.082 56.100 -0.944 0.000 0.976 233 R CB -0.536 28.981 30.300 -1.306 0.000 0.866 233 R HN 0.356 nan 8.270 nan 0.000 0.449 234 A N 0.721 123.328 122.820 -0.355 0.000 2.067 234 A HA -0.028 4.247 4.320 -0.076 0.000 0.217 234 A C 1.910 179.309 177.584 -0.309 0.000 1.156 234 A CA 0.654 52.506 52.037 -0.308 0.000 0.683 234 A CB -0.194 18.632 19.000 -0.290 0.000 0.808 234 A HN 0.397 nan 8.150 nan 0.000 0.455 235 L N -2.156 118.860 121.223 -0.346 0.000 2.202 235 L HA 0.104 4.399 4.340 -0.076 0.000 0.205 235 L C 2.034 178.766 176.870 -0.230 0.000 1.083 235 L CA 1.528 56.135 54.840 -0.388 0.000 0.790 235 L CB -1.022 40.719 42.059 -0.531 0.000 0.942 235 L HN 0.463 nan 8.230 nan 0.000 0.452 236 Y N 2.047 122.237 120.300 -0.183 0.000 2.062 236 Y HA -0.242 4.262 4.550 -0.075 0.000 0.276 236 Y C -0.483 175.418 175.900 0.002 0.000 1.189 236 Y CA 2.980 61.087 58.100 0.013 0.000 1.130 236 Y CB -1.360 37.203 38.460 0.173 0.000 0.959 236 Y HN 0.270 nan 8.280 nan 0.000 0.499 237 P HA -0.187 nan 4.420 nan 0.000 0.218 237 P C 0.758 178.046 177.300 -0.020 0.000 1.148 237 P CA 1.990 65.146 63.100 0.094 0.000 0.822 237 P CB -0.069 31.647 31.700 0.027 0.000 0.784 238 K N -0.365 119.974 120.400 -0.100 0.000 2.103 238 K HA 0.007 4.281 4.320 -0.076 0.000 0.204 238 K C 2.344 178.848 176.600 -0.160 0.000 1.052 238 K CA 1.001 57.213 56.287 -0.124 0.000 0.945 238 K CB -0.418 31.989 32.500 -0.156 0.000 0.722 238 K HN 0.192 nan 8.250 nan 0.000 0.443 239 I N 1.173 121.575 120.570 -0.280 0.000 2.286 239 I HA -0.261 3.864 4.170 -0.076 0.000 0.248 239 I C 2.158 178.057 176.117 -0.364 0.000 1.115 239 I CA 0.709 61.762 61.300 -0.411 0.000 1.392 239 I CB -0.219 37.336 38.000 -0.741 0.000 1.065 239 I HN 0.089 nan 8.210 nan 0.000 0.418 240 I N 0.485 120.929 120.570 -0.211 0.000 2.142 240 I HA -0.259 3.866 4.170 -0.076 0.000 0.240 240 I C 2.645 178.747 176.117 -0.026 0.000 1.078 240 I CA 1.579 62.850 61.300 -0.047 0.000 1.343 240 I CB -1.283 36.784 38.000 0.111 0.000 1.046 240 I HN 0.339 nan 8.210 nan 0.000 0.405 241 Q N 0.220 120.008 119.800 -0.021 0.000 2.152 241 Q HA -0.253 4.041 4.340 -0.076 0.000 0.206 241 Q C 1.806 177.798 176.000 -0.012 0.000 0.985 241 Q CA 1.734 57.534 55.803 -0.005 0.000 0.863 241 Q CB -0.337 28.395 28.738 -0.010 0.000 0.904 241 Q HN 0.503 nan 8.270 nan 0.000 0.422 242 D N 0.209 120.583 120.400 -0.043 0.000 2.106 242 D HA -0.121 4.474 4.640 -0.076 0.000 0.194 242 D C 1.901 178.191 176.300 -0.015 0.000 0.988 242 D CA 1.115 55.095 54.000 -0.034 0.000 0.845 242 D CB -0.297 40.471 40.800 -0.055 0.000 0.990 242 D HN 0.149 nan 8.370 nan 0.000 0.448 243 I N 0.680 121.219 120.570 -0.051 0.000 2.290 243 I HA -0.304 3.820 4.170 -0.076 0.000 0.253 243 I C 2.093 178.244 176.117 0.057 0.000 1.112 243 I CA 1.343 62.642 61.300 -0.002 0.000 1.377 243 I CB -0.328 37.646 38.000 -0.044 0.000 1.060 243 I HN 0.204 nan 8.210 nan 0.000 0.428 244 E N -0.080 120.148 120.200 0.047 0.000 2.158 244 E HA -0.131 4.173 4.350 -0.076 0.000 0.191 244 E C 2.201 178.841 176.600 0.067 0.000 0.982 244 E CA 1.716 58.154 56.400 0.064 0.000 0.823 244 E CB 0.014 29.747 29.700 0.056 0.000 0.766 244 E HN 0.637 nan 8.360 nan 0.000 0.468 245 T N -0.358 114.229 114.554 0.055 0.000 2.937 245 T HA 0.015 4.319 4.350 -0.076 0.000 0.260 245 T C 2.052 176.804 174.700 0.087 0.000 1.051 245 T CA 0.230 62.365 62.100 0.059 0.000 1.141 245 T CB -0.237 68.653 68.868 0.037 0.000 0.879 245 T HN -0.018 nan 8.240 nan 0.000 0.459 246 I N 1.740 122.365 120.570 0.091 0.000 2.036 246 I HA -0.175 3.949 4.170 -0.076 0.000 0.231 246 I C 2.840 179.099 176.117 0.237 0.000 1.044 246 I CA 1.954 63.333 61.300 0.132 0.000 1.315 246 I CB -0.444 37.627 38.000 0.118 0.000 1.051 246 I HN 0.235 nan 8.210 nan 0.000 0.391 247 E N 0.628 120.962 120.200 0.224 0.000 2.301 247 E HA -0.237 4.067 4.350 -0.076 0.000 0.202 247 E C 1.882 178.580 176.600 0.165 0.000 1.017 247 E CA 1.600 58.138 56.400 0.230 0.000 0.831 247 E CB -0.111 29.688 29.700 0.165 0.000 0.742 247 E HN 0.399 nan 8.360 nan 0.000 0.491 248 S N 0.145 115.929 115.700 0.140 0.000 2.315 248 S HA -0.134 4.291 4.470 -0.076 0.000 0.196 248 S C 1.636 176.310 174.600 0.123 0.000 1.045 248 S CA 0.857 59.117 58.200 0.100 0.000 1.055 248 S CB -0.760 62.485 63.200 0.076 0.000 0.963 248 S HN 0.653 nan 8.310 nan 0.000 0.439 249 N N -0.358 118.421 118.700 0.131 0.000 2.493 249 N HA -0.211 4.483 4.740 -0.076 0.000 0.191 249 N C 1.719 177.366 175.510 0.229 0.000 1.041 249 N CA 1.089 54.226 53.050 0.145 0.000 0.904 249 N CB -0.466 38.095 38.487 0.123 0.000 0.948 249 N HN 0.771 nan 8.380 nan 0.000 0.446 250 W N 0.815 122.112 121.300 -0.006 0.000 3.290 250 W HA 0.198 4.812 4.660 -0.077 0.000 0.287 250 W C 0.747 177.232 176.519 -0.056 0.000 1.288 250 W CA -0.514 56.815 57.345 -0.027 0.000 1.725 250 W CB 0.332 29.796 29.460 0.007 0.000 1.103 250 W HN 0.063 nan 8.180 nan 0.000 0.670 251 R N -0.755 119.718 120.500 -0.045 0.000 2.472 251 R HA 0.110 4.405 4.340 -0.076 0.000 0.279 251 R C 0.798 177.027 176.300 -0.119 0.000 0.953 251 R CA 0.181 56.177 56.100 -0.175 0.000 1.088 251 R CB 0.133 30.365 30.300 -0.113 0.000 1.197 251 R HN 0.150 nan 8.270 nan 0.000 0.536 252 C N -3.161 116.111 119.300 -0.046 0.000 3.558 252 C HA 0.485 4.899 4.460 -0.076 0.000 0.564 252 C C 0.908 175.935 174.990 0.061 0.000 1.255 252 C CA -0.188 58.825 59.018 -0.008 0.000 2.589 252 C CB 0.845 28.598 27.740 0.022 0.000 3.649 252 C HN 0.340 nan 8.230 nan 0.000 0.478 253 G N 1.118 109.982 108.800 0.106 0.000 2.374 253 G HA2 0.463 4.377 3.960 -0.076 0.000 0.298 253 G HA3 0.463 4.377 3.960 -0.076 0.000 0.298 253 G C -1.135 173.884 174.900 0.197 0.000 2.674 253 G CA -0.381 44.844 45.100 0.208 0.000 0.775 253 G HN 0.309 nan 8.290 nan 0.000 0.437 254 R N 2.258 122.800 120.500 0.069 0.000 2.629 254 R HA 0.287 4.582 4.340 -0.076 0.000 0.277 254 R C -0.454 175.882 176.300 0.060 0.000 1.637 254 R CA -0.577 55.608 56.100 0.142 0.000 1.663 254 R CB -0.006 30.438 30.300 0.240 0.000 1.228 254 R HN 0.641 nan 8.270 nan 0.000 0.632 255 H N -0.499 118.658 119.070 0.145 0.000 2.495 255 H HA 0.350 4.860 4.556 -0.076 0.000 0.350 255 H C 0.115 175.435 175.328 -0.014 0.000 1.202 255 H CA -0.562 55.541 56.048 0.091 0.000 1.322 255 H CB 2.288 32.068 29.762 0.030 0.000 1.544 255 H HN 0.344 nan 8.280 nan 0.000 0.565 256 S N -0.352 115.356 115.700 0.013 0.000 2.221 256 S HA 0.030 4.455 4.470 -0.076 0.000 0.264 256 S C 1.279 175.772 174.600 -0.178 0.000 0.971 256 S CA 0.126 58.286 58.200 -0.067 0.000 1.397 256 S CB 0.525 63.692 63.200 -0.054 0.000 1.050 256 S HN 0.695 nan 8.310 nan 0.000 0.507 257 L N 0.972 121.997 121.223 -0.330 0.000 3.426 257 L HA -0.434 3.861 4.340 -0.076 0.000 0.065 257 L C 0.075 176.732 176.870 -0.355 0.000 4.441 257 L CA 2.059 56.576 54.840 -0.538 0.000 0.474 257 L CB -1.717 40.018 42.059 -0.539 0.000 3.550 257 L HN 0.511 nan 8.230 nan 0.000 0.698 258 Q N 0.540 120.193 119.800 -0.245 0.000 2.420 258 Q HA -0.175 4.119 4.340 -0.076 0.000 0.367 258 Q C -0.315 175.538 176.000 -0.245 0.000 1.369 258 Q CA 0.554 56.240 55.803 -0.195 0.000 1.080 258 Q CB -0.880 27.772 28.738 -0.143 0.000 1.223 258 Q HN 0.300 nan 8.270 nan 0.000 0.315 259 R N 1.667 122.005 120.500 -0.270 0.000 2.502 259 R HA 0.142 4.437 4.340 -0.076 0.000 0.292 259 R C 0.221 176.296 176.300 -0.374 0.000 0.998 259 R CA 0.352 56.232 56.100 -0.366 0.000 1.056 259 R CB 0.222 30.263 30.300 -0.431 0.000 0.939 259 R HN 0.455 nan 8.270 nan 0.000 0.411 260 I N 4.258 124.566 120.570 -0.437 0.000 2.307 260 I HA 0.145 4.269 4.170 -0.076 0.000 0.289 260 I C 0.018 175.828 176.117 -0.510 0.000 1.021 260 I CA -0.516 60.476 61.300 -0.514 0.000 1.224 260 I CB 0.790 38.340 38.000 -0.750 0.000 1.376 260 I HN 0.385 nan 8.210 nan 0.000 0.470 261 H N 4.773 123.691 119.070 -0.253 0.000 2.652 261 H HA 0.321 4.831 4.556 -0.077 0.000 0.298 261 H C -0.217 175.028 175.328 -0.138 0.000 1.076 261 H CA -0.406 55.549 56.048 -0.154 0.000 1.360 261 H CB 0.707 30.419 29.762 -0.083 0.000 1.421 261 H HN 0.628 nan 8.280 nan 0.000 0.464 262 C N 3.214 122.536 119.300 0.037 0.000 2.328 262 C HA 0.573 4.987 4.460 -0.076 0.000 0.378 262 C C 0.946 176.025 174.990 0.148 0.000 1.249 262 C CA -0.880 58.253 59.018 0.192 0.000 2.204 262 C CB 1.490 29.410 27.740 0.302 0.000 2.218 262 C HN 0.886 nan 8.230 nan 0.000 0.564 263 R N 0.301 120.888 120.500 0.145 0.000 2.667 263 R HA 0.612 4.907 4.340 -0.076 0.000 0.102 263 R C 0.139 176.475 176.300 0.060 0.000 1.113 263 R CA 0.585 56.736 56.100 0.085 0.000 0.925 263 R CB -1.350 28.996 30.300 0.077 0.000 0.791 263 R HN 1.051 nan 8.270 nan 0.000 0.377 264 S N 0.577 116.308 115.700 0.052 0.000 3.859 264 S HA -0.170 4.254 4.470 -0.076 0.000 0.678 264 S C 0.464 175.079 174.600 0.026 0.000 1.658 264 S CA 0.500 58.723 58.200 0.039 0.000 1.761 264 S CB -0.586 62.641 63.200 0.044 0.000 0.350 264 S HN 0.472 nan 8.310 nan 0.000 1.312 265 E N 1.475 121.689 120.200 0.024 0.000 4.327 265 E HA 0.123 4.428 4.350 -0.076 0.000 0.579 265 E C 2.036 178.646 176.600 0.018 0.000 0.402 265 E CA 0.380 56.791 56.400 0.019 0.000 3.827 265 E CB -0.587 29.125 29.700 0.020 0.000 2.359 265 E HN 1.168 nan 8.360 nan 0.000 0.316 266 T N -0.337 114.229 114.554 0.020 0.000 3.807 266 T HA -0.396 3.909 4.350 -0.076 0.000 0.146 266 T C 1.290 175.998 174.700 0.013 0.000 1.752 266 T CA 2.076 64.189 62.100 0.022 0.000 0.978 266 T CB -2.008 66.878 68.868 0.029 0.000 1.051 266 T HN 0.555 nan 8.240 nan 0.000 0.456 267 S N 2.222 117.927 115.700 0.008 0.000 2.632 267 S HA 0.403 4.828 4.470 -0.076 0.000 0.254 267 S C 0.148 174.708 174.600 -0.067 0.000 1.291 267 S CA 0.130 58.318 58.200 -0.021 0.000 0.974 267 S CB 0.391 63.583 63.200 -0.015 0.000 1.016 267 S HN 0.931 nan 8.310 nan 0.000 0.579 268 K N -0.025 120.278 120.400 -0.161 0.000 2.911 268 K HA 0.331 4.606 4.320 -0.076 0.000 0.239 268 K C -0.862 175.496 176.600 -0.404 0.000 1.371 268 K CA 0.096 56.246 56.287 -0.229 0.000 0.872 268 K CB 0.431 32.794 32.500 -0.228 0.000 1.322 268 K HN 0.989 nan 8.250 nan 0.000 0.527 269 G N 0.611 109.270 108.800 -0.233 0.000 2.750 269 G HA2 0.371 4.285 3.960 -0.076 0.000 0.298 269 G HA3 0.371 4.285 3.960 -0.076 0.000 0.298 269 G C -1.333 173.488 174.900 -0.132 0.000 1.412 269 G CA -0.510 44.468 45.100 -0.202 0.000 1.078 269 G HN 0.035 nan 8.290 nan 0.000 0.573 270 V N 2.757 122.677 119.914 0.010 0.000 2.293 270 V HA 0.289 4.364 4.120 -0.076 0.000 0.275 270 V C 0.502 176.703 176.094 0.179 0.000 1.021 270 V CA -0.613 61.740 62.300 0.089 0.000 0.815 270 V CB 0.285 32.175 31.823 0.112 0.000 1.025 270 V HN 0.743 nan 8.190 nan 0.000 0.448 271 Y N 2.864 123.223 120.300 0.099 0.000 2.176 271 Y HA 0.021 4.546 4.550 -0.041 0.000 0.291 271 Y C 1.480 177.432 175.900 0.087 0.000 1.122 271 Y CA 0.875 58.928 58.100 -0.078 0.000 1.128 271 Y CB 0.153 38.463 38.460 -0.250 0.000 1.005 271 Y HN 0.754 nan 8.280 nan 0.000 0.509 272 C N 0.079 119.536 119.300 0.262 0.000 2.779 272 C HA 0.887 5.302 4.460 -0.076 0.000 0.314 272 C C -0.645 174.463 174.990 0.196 0.000 1.231 272 C CA -1.579 57.567 59.018 0.214 0.000 1.652 272 C CB 0.823 28.662 27.740 0.165 0.000 2.198 272 C HN 0.345 nan 8.230 nan 0.000 0.483 273 L N -0.523 120.811 121.223 0.186 0.000 2.556 273 L HA 0.771 5.065 4.340 -0.076 0.000 0.257 273 L C -1.345 175.618 176.870 0.155 0.000 0.955 273 L CA -0.326 54.625 54.840 0.185 0.000 0.850 273 L CB 1.971 44.143 42.059 0.189 0.000 1.398 273 L HN 0.867 nan 8.230 nan 0.000 0.412 274 Q N 1.996 121.881 119.800 0.142 0.000 2.309 274 Q HA 0.416 4.711 4.340 -0.076 0.000 0.273 274 Q C -2.249 173.665 176.000 -0.144 0.000 1.040 274 Q CA -0.562 55.215 55.803 -0.043 0.000 0.834 274 Q CB 3.170 31.839 28.738 -0.115 0.000 1.345 274 Q HN 0.866 nan 8.270 nan 0.000 0.414 275 Y N 1.194 121.212 120.300 -0.470 0.000 2.638 275 Y HA 0.691 5.195 4.550 -0.077 0.000 0.339 275 Y C -1.620 174.192 175.900 -0.146 0.000 1.084 275 Y CA -0.450 57.553 58.100 -0.163 0.000 1.068 275 Y CB 2.575 41.028 38.460 -0.012 0.000 1.294 275 Y HN 0.722 nan 8.280 nan 0.000 0.480 276 D N 0.247 120.420 120.400 -0.379 0.000 2.725 276 D HA 0.157 4.752 4.640 -0.076 0.000 0.292 276 D C -0.904 175.346 176.300 -0.083 0.000 1.288 276 D CA -0.372 53.528 54.000 -0.167 0.000 0.784 276 D CB 1.751 42.704 40.800 0.256 0.000 1.308 276 D HN 0.583 nan 8.370 nan 0.000 0.429 277 D N -0.551 119.834 120.400 -0.025 0.000 2.347 277 D HA 0.028 4.623 4.640 -0.076 0.000 0.215 277 D C 0.404 176.744 176.300 0.067 0.000 0.976 277 D CA 0.960 54.972 54.000 0.021 0.000 0.884 277 D CB 0.384 41.182 40.800 -0.003 0.000 0.915 277 D HN 0.396 nan 8.370 nan 0.000 0.526 278 Q N -1.275 118.581 119.800 0.094 0.000 1.870 278 Q HA 0.173 4.468 4.340 -0.076 0.000 0.182 278 Q C -0.485 175.590 176.000 0.124 0.000 0.779 278 Q CA -0.507 55.353 55.803 0.096 0.000 0.912 278 Q CB 0.089 28.859 28.738 0.052 0.000 1.234 278 Q HN 0.034 nan 8.270 nan 0.000 0.404 279 K N -0.113 120.399 120.400 0.187 0.000 2.575 279 K HA 0.709 4.984 4.320 -0.076 0.000 0.279 279 K C -1.557 175.255 176.600 0.352 0.000 0.969 279 K CA -0.928 55.492 56.287 0.222 0.000 0.868 279 K CB 1.529 34.106 32.500 0.129 0.000 1.457 279 K HN 0.061 nan 8.250 nan 0.000 0.426 280 I N 1.954 122.743 120.570 0.365 0.000 2.439 280 I HA 0.266 4.391 4.170 -0.076 0.000 0.285 280 I C -0.938 175.406 176.117 0.379 0.000 1.021 280 I CA -1.347 60.211 61.300 0.429 0.000 1.091 280 I CB 2.198 40.456 38.000 0.431 0.000 1.242 280 I HN 0.339 nan 8.210 nan 0.000 0.439 281 V N 5.490 125.662 119.914 0.430 0.000 2.353 281 V HA 0.281 4.356 4.120 -0.076 0.000 0.264 281 V C 0.273 176.503 176.094 0.226 0.000 1.049 281 V CA -0.204 62.262 62.300 0.275 0.000 0.896 281 V CB 0.955 32.972 31.823 0.324 0.000 1.025 281 V HN 0.853 nan 8.190 nan 0.000 0.475 282 S N 3.363 119.170 115.700 0.177 0.000 2.473 282 S HA 0.717 5.141 4.470 -0.076 0.000 0.307 282 S C 0.058 174.728 174.600 0.117 0.000 1.094 282 S CA -0.511 57.811 58.200 0.204 0.000 1.070 282 S CB 1.840 65.256 63.200 0.359 0.000 1.019 282 S HN 0.862 nan 8.310 nan 0.000 0.480 283 G N 3.593 112.468 108.800 0.126 0.000 2.457 283 G HA2 0.499 4.413 3.960 -0.076 0.000 0.316 283 G HA3 0.499 4.413 3.960 -0.076 0.000 0.316 283 G C -0.026 174.965 174.900 0.152 0.000 1.030 283 G CA -0.739 44.426 45.100 0.108 0.000 1.073 283 G HN 0.741 nan 8.290 nan 0.000 0.430 284 L N 1.281 122.578 121.223 0.124 0.000 2.482 284 L HA 0.357 4.651 4.340 -0.076 0.000 0.242 284 L C 1.983 178.940 176.870 0.145 0.000 1.210 284 L CA -0.599 54.312 54.840 0.118 0.000 0.819 284 L CB 0.765 42.885 42.059 0.100 0.000 1.203 284 L HN 0.568 nan 8.230 nan 0.000 0.495 285 R N -0.010 120.545 120.500 0.091 0.000 2.290 285 R HA -0.066 4.228 4.340 -0.076 0.000 0.197 285 R C 1.455 177.812 176.300 0.096 0.000 0.913 285 R CA 0.470 56.655 56.100 0.142 0.000 1.040 285 R CB 0.066 30.381 30.300 0.026 0.000 0.992 285 R HN 0.807 nan 8.270 nan 0.000 0.500 286 D N -0.089 120.351 120.400 0.068 0.000 2.350 286 D HA -0.179 4.415 4.640 -0.076 0.000 0.216 286 D C -0.039 176.300 176.300 0.066 0.000 0.968 286 D CA 1.052 55.086 54.000 0.057 0.000 0.894 286 D CB -0.240 40.590 40.800 0.050 0.000 0.909 286 D HN 0.509 nan 8.370 nan 0.000 0.520 287 N N -1.825 116.925 118.700 0.082 0.000 2.984 287 N HA -0.132 4.563 4.740 -0.076 0.000 0.199 287 N C -0.536 175.049 175.510 0.125 0.000 0.934 287 N CA 0.837 53.947 53.050 0.100 0.000 1.043 287 N CB -1.252 37.291 38.487 0.094 0.000 1.015 287 N HN 0.486 nan 8.380 nan 0.000 0.557 288 T N -0.384 114.213 114.554 0.073 0.000 2.945 288 T HA 0.750 5.054 4.350 -0.076 0.000 0.286 288 T C -0.020 174.654 174.700 -0.043 0.000 1.025 288 T CA -0.725 61.383 62.100 0.013 0.000 1.039 288 T CB 1.847 70.707 68.868 -0.013 0.000 1.068 288 T HN 0.186 nan 8.240 nan 0.000 0.497 289 I N 1.551 122.007 120.570 -0.191 0.000 2.321 289 I HA 0.421 4.546 4.170 -0.076 0.000 0.291 289 I C 0.366 176.332 176.117 -0.251 0.000 0.998 289 I CA -0.861 60.297 61.300 -0.235 0.000 1.227 289 I CB 1.073 38.801 38.000 -0.453 0.000 1.368 289 I HN 0.435 nan 8.210 nan 0.000 0.466 290 K N 6.961 127.244 120.400 -0.196 0.000 2.206 290 K HA 0.638 4.913 4.320 -0.076 0.000 0.264 290 K C -0.855 175.419 176.600 -0.544 0.000 0.967 290 K CA -0.623 55.419 56.287 -0.408 0.000 0.844 290 K CB 2.297 34.553 32.500 -0.406 0.000 1.099 290 K HN 0.548 nan 8.250 nan 0.000 0.441 291 I N 3.071 123.246 120.570 -0.658 0.000 2.355 291 I HA 0.271 4.396 4.170 -0.076 0.000 0.288 291 I C -0.947 174.861 176.117 -0.515 0.000 0.999 291 I CA -0.809 60.231 61.300 -0.434 0.000 1.163 291 I CB 0.813 38.667 38.000 -0.244 0.000 1.316 291 I HN 0.414 nan 8.210 nan 0.000 0.454 292 W N 4.623 125.948 121.300 0.041 0.000 2.433 292 W HA 0.313 4.925 4.660 -0.079 0.000 0.315 292 W C 0.252 176.802 176.519 0.051 0.000 1.087 292 W CA -0.629 56.741 57.345 0.042 0.000 1.205 292 W CB 0.628 30.117 29.460 0.047 0.000 1.288 292 W HN 0.433 nan 8.180 nan 0.000 0.504 293 D N 2.637 123.183 120.400 0.244 0.000 2.458 293 D HA -0.076 4.519 4.640 -0.076 0.000 0.243 293 D C 1.337 177.749 176.300 0.187 0.000 1.146 293 D CA 0.357 54.457 54.000 0.166 0.000 0.877 293 D CB 1.156 42.027 40.800 0.117 0.000 1.176 293 D HN 0.117 nan 8.370 nan 0.000 0.461 294 K N 2.842 123.337 120.400 0.158 0.000 2.288 294 K HA -0.056 4.219 4.320 -0.076 0.000 0.201 294 K C 0.580 177.238 176.600 0.097 0.000 1.048 294 K CA 0.904 57.282 56.287 0.151 0.000 0.956 294 K CB -0.095 32.507 32.500 0.170 0.000 0.746 294 K HN 0.587 nan 8.250 nan 0.000 0.461 295 N N -1.188 117.558 118.700 0.077 0.000 2.335 295 N HA -0.085 4.609 4.740 -0.076 0.000 0.197 295 N C 1.294 176.825 175.510 0.036 0.000 1.045 295 N CA 1.534 54.611 53.050 0.046 0.000 0.928 295 N CB -0.304 38.203 38.487 0.033 0.000 1.118 295 N HN 0.112 nan 8.380 nan 0.000 0.471 296 T N -0.523 114.058 114.554 0.044 0.000 3.188 296 T HA 0.263 4.568 4.350 -0.076 0.000 0.250 296 T C 0.653 175.389 174.700 0.060 0.000 1.077 296 T CA -0.102 62.022 62.100 0.039 0.000 0.967 296 T CB -0.663 68.227 68.868 0.036 0.000 1.006 296 T HN 0.269 nan 8.240 nan 0.000 0.552 297 L N -0.935 120.339 121.223 0.085 0.000 4.813 297 L HA -0.215 4.079 4.340 -0.076 0.000 0.434 297 L C 0.515 177.527 176.870 0.237 0.000 1.106 297 L CA 0.679 55.587 54.840 0.113 0.000 0.991 297 L CB -2.218 39.842 42.059 0.001 0.000 2.005 297 L HN 0.491 nan 8.230 nan 0.000 0.817 298 E N -0.312 120.020 120.200 0.220 0.000 2.416 298 E HA 0.133 4.437 4.350 -0.076 0.000 0.254 298 E C 0.292 177.103 176.600 0.351 0.000 1.241 298 E CA 0.091 56.649 56.400 0.264 0.000 0.969 298 E CB 0.969 30.752 29.700 0.138 0.000 0.999 298 E HN 0.302 nan 8.360 nan 0.000 0.481 299 C N 2.281 121.700 119.300 0.199 0.000 2.246 299 C HA 0.206 4.621 4.460 -0.076 0.000 0.329 299 C C 1.286 176.166 174.990 -0.183 0.000 1.221 299 C CA -0.322 58.579 59.018 -0.196 0.000 1.697 299 C CB -0.651 26.829 27.740 -0.433 0.000 2.312 299 C HN 0.776 nan 8.230 nan 0.000 0.509 300 K N 2.289 122.564 120.400 -0.208 0.000 2.067 300 K HA 0.146 4.420 4.320 -0.076 0.000 0.203 300 K C 0.597 177.099 176.600 -0.165 0.000 1.048 300 K CA 0.938 57.145 56.287 -0.134 0.000 0.954 300 K CB 0.152 32.597 32.500 -0.092 0.000 0.737 300 K HN 0.650 nan 8.250 nan 0.000 0.444 301 R N 0.245 120.601 120.500 -0.241 0.000 2.515 301 R HA 0.344 4.638 4.340 -0.076 0.000 0.278 301 R C -1.843 174.300 176.300 -0.261 0.000 1.107 301 R CA -0.212 55.766 56.100 -0.204 0.000 0.945 301 R CB 0.907 31.113 30.300 -0.157 0.000 1.219 301 R HN -0.015 nan 8.270 nan 0.000 0.434 302 I N 6.790 127.238 120.570 -0.202 0.000 2.307 302 I HA 0.279 4.403 4.170 -0.076 0.000 0.287 302 I C -0.148 175.886 176.117 -0.138 0.000 1.054 302 I CA -0.504 60.684 61.300 -0.187 0.000 1.218 302 I CB 0.592 38.511 38.000 -0.136 0.000 1.398 302 I HN 0.375 nan 8.210 nan 0.000 0.475 303 L N 5.232 126.328 121.223 -0.211 0.000 2.418 303 L HA 0.606 4.900 4.340 -0.076 0.000 0.265 303 L C 0.315 177.113 176.870 -0.120 0.000 1.143 303 L CA -0.176 54.535 54.840 -0.215 0.000 0.809 303 L CB 1.187 42.860 42.059 -0.643 0.000 1.124 303 L HN 0.456 nan 8.230 nan 0.000 0.456 304 T N 0.416 115.087 114.554 0.194 0.000 2.942 304 T HA 0.620 4.925 4.350 -0.076 0.000 0.327 304 T C -0.223 174.673 174.700 0.327 0.000 1.360 304 T CA 0.129 62.364 62.100 0.224 0.000 1.055 304 T CB 1.581 70.512 68.868 0.106 0.000 1.261 304 T HN 0.985 nan 8.240 nan 0.000 0.485 305 G N 2.635 111.577 108.800 0.235 0.000 2.330 305 G HA2 -0.002 3.912 3.960 -0.076 0.000 0.125 305 G HA3 -0.002 3.912 3.960 -0.076 0.000 0.125 305 G C -0.594 174.387 174.900 0.136 0.000 1.060 305 G CA -0.403 44.770 45.100 0.122 0.000 0.743 305 G HN 0.958 nan 8.290 nan 0.000 0.480 306 H N -0.740 118.406 119.070 0.127 0.000 2.771 306 H HA 0.472 5.004 4.556 -0.041 0.000 0.361 306 H C 1.118 176.484 175.328 0.063 0.000 1.108 306 H CA -0.216 55.895 56.048 0.104 0.000 1.201 306 H CB 2.017 31.876 29.762 0.162 0.000 1.681 306 H HN 0.068 nan 8.280 nan 0.000 0.534 307 T N 1.860 116.506 114.554 0.153 0.000 2.851 307 T HA 0.045 4.350 4.350 -0.076 0.000 0.262 307 T C 1.070 175.775 174.700 0.009 0.000 1.043 307 T CA 0.997 63.133 62.100 0.058 0.000 1.140 307 T CB 0.038 68.926 68.868 0.034 0.000 0.872 307 T HN 0.664 nan 8.240 nan 0.000 0.446 308 G N 0.658 109.414 108.800 -0.073 0.000 2.753 308 G HA2 0.513 4.428 3.960 -0.076 0.000 0.285 308 G HA3 0.513 4.428 3.960 -0.076 0.000 0.285 308 G C -0.624 174.221 174.900 -0.092 0.000 1.344 308 G CA -0.657 44.386 45.100 -0.094 0.000 1.050 308 G HN 0.269 nan 8.290 nan 0.000 0.532 309 S N -0.958 114.700 115.700 -0.070 0.000 2.562 309 S HA 0.211 4.636 4.470 -0.076 0.000 0.281 309 S C 0.320 174.852 174.600 -0.114 0.000 1.333 309 S CA -0.514 57.683 58.200 -0.006 0.000 1.052 309 S CB 1.539 64.798 63.200 0.098 0.000 0.884 309 S HN 0.432 nan 8.310 nan 0.000 0.506 310 V N 4.572 124.484 119.914 -0.004 0.000 2.421 310 V HA 0.040 4.115 4.120 -0.076 0.000 0.271 310 V C 1.038 177.107 176.094 -0.041 0.000 1.031 310 V CA 0.318 62.618 62.300 0.000 0.000 1.032 310 V CB -0.235 31.662 31.823 0.124 0.000 1.009 310 V HN 0.814 nan 8.190 nan 0.000 0.477 311 L N 4.785 125.905 121.223 -0.171 0.000 2.298 311 L HA 0.173 4.468 4.340 -0.076 0.000 0.209 311 L C 0.898 177.715 176.870 -0.089 0.000 1.084 311 L CA 0.568 55.234 54.840 -0.291 0.000 0.816 311 L CB 0.431 42.258 42.059 -0.387 0.000 0.967 311 L HN 0.846 nan 8.230 nan 0.000 0.460 312 C N -0.962 118.318 119.300 -0.033 0.000 3.086 312 C HA 0.744 5.158 4.460 -0.076 0.000 0.311 312 C C -0.692 174.295 174.990 -0.006 0.000 1.260 312 C CA -1.273 57.738 59.018 -0.012 0.000 1.426 312 C CB 1.158 28.842 27.740 -0.094 0.000 1.826 312 C HN 0.256 nan 8.230 nan 0.000 0.474 313 L N 0.021 121.245 121.223 0.002 0.000 2.671 313 L HA 0.750 5.045 4.340 -0.076 0.000 0.259 313 L C -1.947 174.965 176.870 0.071 0.000 1.021 313 L CA -0.383 54.479 54.840 0.038 0.000 0.871 313 L CB 2.147 44.243 42.059 0.063 0.000 1.472 313 L HN 0.831 nan 8.230 nan 0.000 0.410 314 Q N 1.162 121.038 119.800 0.125 0.000 2.271 314 Q HA 0.294 4.589 4.340 -0.076 0.000 0.268 314 Q C -0.854 175.357 176.000 0.351 0.000 1.021 314 Q CA -0.560 55.392 55.803 0.248 0.000 0.802 314 Q CB 2.707 31.676 28.738 0.385 0.000 1.282 314 Q HN 0.729 nan 8.270 nan 0.000 0.431 315 Y N 1.886 122.279 120.300 0.156 0.000 2.229 315 Y HA -0.220 4.283 4.550 -0.078 0.000 0.203 315 Y C 1.002 177.028 175.900 0.210 0.000 0.940 315 Y CA 2.220 60.400 58.100 0.134 0.000 0.928 315 Y CB -0.169 38.346 38.460 0.091 0.000 0.947 315 Y HN 0.912 nan 8.280 nan 0.000 0.549 316 D N -2.180 118.466 120.400 0.409 0.000 10.697 316 D HA -0.166 4.429 4.640 -0.076 0.000 0.348 316 D C -1.214 175.167 176.300 0.136 0.000 3.134 316 D CA 0.384 54.542 54.000 0.263 0.000 2.641 316 D CB -0.203 40.873 40.800 0.460 0.000 1.229 316 D HN 0.321 nan 8.370 nan 0.000 0.945 317 E N 2.071 122.323 120.200 0.087 0.000 2.341 317 E HA 0.236 4.541 4.350 -0.076 0.000 0.279 317 E C 0.759 177.382 176.600 0.038 0.000 1.395 317 E CA -0.064 56.358 56.400 0.035 0.000 1.648 317 E CB 0.770 30.484 29.700 0.023 0.000 1.524 317 E HN 0.335 nan 8.360 nan 0.000 0.462 318 R N -0.605 119.927 120.500 0.053 0.000 2.535 318 R HA 0.039 4.334 4.340 -0.076 0.000 0.050 318 R C -0.519 175.811 176.300 0.049 0.000 0.816 318 R CA 0.885 57.015 56.100 0.049 0.000 2.949 318 R CB 0.669 31.012 30.300 0.071 0.000 1.256 318 R HN 0.101 nan 8.270 nan 0.000 0.520 319 V N 0.500 120.466 119.914 0.087 0.000 2.655 319 V HA 0.551 4.626 4.120 -0.076 0.000 0.301 319 V C 0.126 176.266 176.094 0.078 0.000 1.082 319 V CA -1.050 61.289 62.300 0.066 0.000 0.899 319 V CB 2.099 33.935 31.823 0.022 0.000 1.014 319 V HN 0.083 nan 8.190 nan 0.000 0.429 320 I N 5.082 125.700 120.570 0.081 0.000 2.648 320 I HA 0.367 4.492 4.170 -0.076 0.000 0.284 320 I C -0.169 176.027 176.117 0.133 0.000 1.153 320 I CA 0.306 61.657 61.300 0.086 0.000 1.426 320 I CB 0.680 38.669 38.000 -0.020 0.000 1.381 320 I HN 0.538 nan 8.210 nan 0.000 0.571 321 I N 5.218 125.798 120.570 0.016 0.000 2.509 321 I HA 0.385 4.509 4.170 -0.076 0.000 0.293 321 I C -0.059 176.083 176.117 0.042 0.000 1.020 321 I CA -0.384 60.888 61.300 -0.047 0.000 1.088 321 I CB 2.289 40.041 38.000 -0.414 0.000 1.267 321 I HN 0.625 nan 8.210 nan 0.000 0.430 322 T N 1.297 115.934 114.554 0.139 0.000 2.900 322 T HA 0.779 5.083 4.350 -0.076 0.000 0.295 322 T C -0.342 174.453 174.700 0.160 0.000 1.044 322 T CA -0.853 61.350 62.100 0.171 0.000 0.995 322 T CB 2.005 71.067 68.868 0.323 0.000 1.072 322 T HN 0.731 nan 8.240 nan 0.000 0.473 323 G N 0.090 108.939 108.800 0.081 0.000 2.420 323 G HA2 0.625 4.539 3.960 -0.076 0.000 0.331 323 G HA3 0.625 4.539 3.960 -0.076 0.000 0.331 323 G C -0.962 173.908 174.900 -0.051 0.000 1.168 323 G CA -0.689 44.425 45.100 0.023 0.000 0.936 323 G HN 0.900 nan 8.290 nan 0.000 0.479 324 S N -0.169 115.431 115.700 -0.165 0.000 2.661 324 S HA 0.516 4.941 4.470 -0.076 0.000 0.285 324 S C 1.421 175.863 174.600 -0.263 0.000 1.138 324 S CA -0.223 57.765 58.200 -0.354 0.000 0.855 324 S CB 1.625 64.254 63.200 -0.952 0.000 1.136 324 S HN 0.420 nan 8.310 nan 0.000 0.484 325 S N 1.203 116.744 115.700 -0.265 0.000 2.440 325 S HA -0.121 4.304 4.470 -0.076 0.000 0.238 325 S C 0.953 175.470 174.600 -0.138 0.000 1.010 325 S CA 1.763 59.850 58.200 -0.187 0.000 0.972 325 S CB -0.554 62.551 63.200 -0.159 0.000 0.774 325 S HN 0.815 nan 8.310 nan 0.000 0.501 326 D N 0.300 120.604 120.400 -0.160 0.000 2.324 326 D HA 0.122 4.716 4.640 -0.076 0.000 0.235 326 D C 0.476 176.752 176.300 -0.041 0.000 1.095 326 D CA 0.413 54.363 54.000 -0.084 0.000 0.871 326 D CB -0.540 40.224 40.800 -0.060 0.000 0.906 326 D HN 0.123 nan 8.370 nan 0.000 0.522 327 S N -1.910 113.761 115.700 -0.049 0.000 3.228 327 S HA -0.186 4.239 4.470 -0.076 0.000 0.282 327 S C 0.561 175.197 174.600 0.059 0.000 1.286 327 S CA 1.124 59.327 58.200 0.004 0.000 1.066 327 S CB -2.683 60.531 63.200 0.024 0.000 1.277 327 S HN 0.842 nan 8.310 nan 0.000 0.661 328 T N -1.011 113.571 114.554 0.046 0.000 2.940 328 T HA 0.792 5.097 4.350 -0.076 0.000 0.288 328 T C -0.007 174.752 174.700 0.098 0.000 1.033 328 T CA -0.297 61.855 62.100 0.087 0.000 1.033 328 T CB 2.077 71.003 68.868 0.098 0.000 1.079 328 T HN 1.000 nan 8.240 nan 0.000 0.496 329 V N -0.220 119.712 119.914 0.029 0.000 2.628 329 V HA 0.880 4.955 4.120 -0.076 0.000 0.306 329 V C -0.744 175.282 176.094 -0.113 0.000 1.045 329 V CA -1.174 61.107 62.300 -0.032 0.000 0.905 329 V CB 1.637 33.368 31.823 -0.153 0.000 0.997 329 V HN 0.964 nan 8.190 nan 0.000 0.436 330 R N 2.591 123.029 120.500 -0.103 0.000 2.854 330 R HA 0.830 5.124 4.340 -0.076 0.000 0.271 330 R C -1.404 174.717 176.300 -0.299 0.000 0.996 330 R CA -0.828 55.097 56.100 -0.292 0.000 0.961 330 R CB 2.220 32.255 30.300 -0.442 0.000 1.182 330 R HN 0.687 nan 8.270 nan 0.000 0.479 331 V N 1.711 121.345 119.914 -0.468 0.000 2.487 331 V HA 0.475 4.550 4.120 -0.076 0.000 0.298 331 V C -1.276 174.572 176.094 -0.409 0.000 1.028 331 V CA -0.817 61.297 62.300 -0.310 0.000 0.860 331 V CB 1.505 33.168 31.823 -0.266 0.000 0.991 331 V HN 0.633 nan 8.190 nan 0.000 0.427 332 W N 1.887 123.095 121.300 -0.153 0.000 2.739 332 W HA 0.431 5.038 4.660 -0.088 0.000 0.331 332 W C -0.065 176.393 176.519 -0.103 0.000 1.049 332 W CA -0.769 56.501 57.345 -0.125 0.000 1.234 332 W CB 0.885 30.273 29.460 -0.121 0.000 1.404 332 W HN 0.563 nan 8.180 nan 0.000 0.477 333 D N 2.114 122.587 120.400 0.121 0.000 2.450 333 D HA -0.068 4.527 4.640 -0.076 0.000 0.247 333 D C 0.933 177.262 176.300 0.048 0.000 1.162 333 D CA 0.415 54.449 54.000 0.057 0.000 0.879 333 D CB 2.000 42.814 40.800 0.023 0.000 1.163 333 D HN 0.388 nan 8.370 nan 0.000 0.472 334 V N 5.111 125.027 119.914 0.004 0.000 2.626 334 V HA -0.225 3.849 4.120 -0.076 0.000 0.252 334 V C 1.641 177.689 176.094 -0.077 0.000 1.067 334 V CA 1.435 63.697 62.300 -0.064 0.000 1.081 334 V CB -0.317 31.439 31.823 -0.113 0.000 0.686 334 V HN 0.533 nan 8.190 nan 0.000 0.468 335 N N 0.592 119.265 118.700 -0.046 0.000 2.092 335 N HA -0.070 4.625 4.740 -0.076 0.000 0.189 335 N C 1.564 177.052 175.510 -0.037 0.000 1.040 335 N CA 1.918 54.942 53.050 -0.044 0.000 0.845 335 N CB -1.036 37.433 38.487 -0.029 0.000 1.017 335 N HN 0.699 nan 8.380 nan 0.000 0.426 336 T N -2.326 112.218 114.554 -0.017 0.000 4.953 336 T HA 0.455 4.759 4.350 -0.076 0.000 0.320 336 T C 1.258 175.960 174.700 0.003 0.000 1.042 336 T CA 0.424 62.520 62.100 -0.008 0.000 1.089 336 T CB -0.302 68.569 68.868 0.004 0.000 1.879 336 T HN 0.225 nan 8.240 nan 0.000 0.417 337 G N -0.279 108.549 108.800 0.047 0.000 4.765 337 G HA2 0.253 4.167 3.960 -0.076 0.000 0.276 337 G HA3 0.253 4.167 3.960 -0.076 0.000 0.276 337 G C -0.297 174.756 174.900 0.255 0.000 0.986 337 G CA -0.338 44.837 45.100 0.124 0.000 0.755 337 G HN 0.738 nan 8.290 nan 0.000 0.391 338 E N 1.176 121.457 120.200 0.134 0.000 2.223 338 E HA 0.341 4.646 4.350 -0.076 0.000 0.282 338 E C 0.143 176.713 176.600 -0.049 0.000 1.046 338 E CA -0.589 55.835 56.400 0.040 0.000 0.857 338 E CB 0.651 30.349 29.700 -0.004 0.000 1.055 338 E HN 0.202 nan 8.360 nan 0.000 0.409 339 M N 5.902 125.360 119.600 -0.236 0.000 2.303 339 M HA -0.060 4.375 4.480 -0.076 0.000 0.350 339 M C 0.116 176.229 176.300 -0.311 0.000 1.518 339 M CA -0.291 54.700 55.300 -0.516 0.000 1.070 339 M CB 0.438 32.657 32.600 -0.635 0.000 1.910 339 M HN 0.641 nan 8.290 nan 0.000 0.458 340 L N 3.892 124.937 121.223 -0.297 0.000 2.255 340 L HA 0.212 4.506 4.340 -0.076 0.000 0.196 340 L C 0.811 177.550 176.870 -0.219 0.000 1.202 340 L CA 1.212 55.930 54.840 -0.202 0.000 0.819 340 L CB -0.983 40.986 42.059 -0.151 0.000 1.006 340 L HN 0.730 nan 8.230 nan 0.000 0.480 341 N N -1.117 117.439 118.700 -0.239 0.000 2.443 341 N HA 0.248 4.943 4.740 -0.076 0.000 0.293 341 N C -0.938 174.405 175.510 -0.279 0.000 1.159 341 N CA -0.151 52.766 53.050 -0.223 0.000 0.904 341 N CB 1.845 40.218 38.487 -0.191 0.000 1.214 341 N HN 0.136 nan 8.380 nan 0.000 0.513 342 T N 2.696 117.112 114.554 -0.230 0.000 2.949 342 T HA 0.325 4.630 4.350 -0.076 0.000 0.300 342 T C -1.367 173.238 174.700 -0.159 0.000 0.988 342 T CA -0.784 61.184 62.100 -0.220 0.000 0.993 342 T CB 0.426 69.160 68.868 -0.224 0.000 0.984 342 T HN 0.181 nan 8.240 nan 0.000 0.442 343 L N 6.809 127.923 121.223 -0.182 0.000 2.265 343 L HA 0.469 4.763 4.340 -0.076 0.000 0.288 343 L C 1.390 178.255 176.870 -0.009 0.000 1.058 343 L CA -0.282 54.470 54.840 -0.147 0.000 0.809 343 L CB 0.374 42.196 42.059 -0.395 0.000 1.179 343 L HN 0.757 nan 8.230 nan 0.000 0.429 344 I N 1.926 122.531 120.570 0.058 0.000 2.716 344 I HA -0.163 3.962 4.170 -0.076 0.000 0.222 344 I C 1.930 178.160 176.117 0.188 0.000 1.055 344 I CA 0.721 62.076 61.300 0.092 0.000 1.397 344 I CB -0.451 37.585 38.000 0.060 0.000 1.230 344 I HN 0.824 nan 8.210 nan 0.000 0.412 345 H N 0.101 119.230 119.070 0.097 0.000 2.841 345 H HA -0.308 4.204 4.556 -0.073 0.000 0.087 345 H C 0.832 176.158 175.328 -0.002 0.000 0.545 345 H CA 2.224 58.319 56.048 0.078 0.000 1.723 345 H CB -1.229 28.683 29.762 0.250 0.000 1.986 345 H HN 0.477 nan 8.280 nan 0.000 0.931 346 H N -0.566 118.454 119.070 -0.082 0.000 2.639 346 H HA 0.353 4.869 4.556 -0.067 0.000 0.373 346 H C 0.999 176.254 175.328 -0.122 0.000 1.372 346 H CA 0.847 56.797 56.048 -0.164 0.000 1.448 346 H CB 0.483 30.274 29.762 0.049 0.000 1.544 346 H HN 0.621 nan 8.280 nan 0.000 0.615 347 C N -0.503 118.843 119.300 0.076 0.000 3.202 347 C HA 0.639 5.054 4.460 -0.076 0.000 0.237 347 C C -0.200 174.798 174.990 0.014 0.000 2.183 347 C CA -0.613 58.416 59.018 0.018 0.000 1.352 347 C CB -0.642 27.084 27.740 -0.022 0.000 2.502 347 C HN 0.764 nan 8.230 nan 0.000 0.524 348 E N -0.130 120.077 120.200 0.010 0.000 2.369 348 E HA 0.454 4.759 4.350 -0.076 0.000 0.279 348 E C -0.653 175.910 176.600 -0.061 0.000 1.179 348 E CA -0.447 55.938 56.400 -0.025 0.000 0.919 348 E CB 0.808 30.494 29.700 -0.023 0.000 1.253 348 E HN 0.614 nan 8.360 nan 0.000 0.421 349 A N 1.296 124.066 122.820 -0.084 0.000 2.581 349 A HA 0.091 4.365 4.320 -0.076 0.000 0.257 349 A C 0.259 177.748 177.584 -0.159 0.000 1.022 349 A CA 0.226 52.189 52.037 -0.123 0.000 0.812 349 A CB -0.455 18.463 19.000 -0.137 0.000 0.918 349 A HN 0.269 nan 8.150 nan 0.000 0.516 350 V N 5.694 125.509 119.914 -0.164 0.000 2.425 350 V HA -0.034 4.040 4.120 -0.076 0.000 0.276 350 V C 1.407 177.409 176.094 -0.155 0.000 1.017 350 V CA 0.460 62.642 62.300 -0.197 0.000 1.062 350 V CB -0.181 31.564 31.823 -0.128 0.000 0.997 350 V HN 0.849 nan 8.190 nan 0.000 0.476 351 L N 3.627 124.769 121.223 -0.135 0.000 2.145 351 L HA 0.242 4.537 4.340 -0.076 0.000 0.201 351 L C 1.054 177.938 176.870 0.023 0.000 1.075 351 L CA 0.801 55.587 54.840 -0.090 0.000 0.773 351 L CB 0.015 42.025 42.059 -0.082 0.000 0.936 351 L HN 0.646 nan 8.230 nan 0.000 0.451 352 H N -0.188 118.827 119.070 -0.091 0.000 2.894 352 H HA 0.530 5.037 4.556 -0.082 0.000 0.367 352 H C -1.578 173.739 175.328 -0.019 0.000 1.144 352 H CA -0.784 55.239 56.048 -0.042 0.000 1.180 352 H CB 2.518 32.265 29.762 -0.025 0.000 1.758 352 H HN -0.096 nan 8.280 nan 0.000 0.541 353 L N 1.259 122.266 121.223 -0.359 0.000 2.388 353 L HA 0.740 5.035 4.340 -0.076 0.000 0.264 353 L C -0.798 175.931 176.870 -0.234 0.000 0.998 353 L CA -0.955 53.773 54.840 -0.187 0.000 0.817 353 L CB 1.941 43.929 42.059 -0.118 0.000 1.338 353 L HN 0.319 nan 8.230 nan 0.000 0.414 354 R N 0.881 121.356 120.500 -0.042 0.000 2.807 354 R HA 0.692 4.987 4.340 -0.076 0.000 0.276 354 R C -0.758 175.633 176.300 0.152 0.000 0.979 354 R CA -0.521 55.621 56.100 0.070 0.000 0.928 354 R CB 1.615 32.008 30.300 0.154 0.000 1.191 354 R HN 0.732 nan 8.270 nan 0.000 0.471 355 F N 1.461 121.454 119.950 0.072 0.000 2.102 355 F HA 0.385 4.868 4.527 -0.072 0.000 0.245 355 F C -0.026 175.900 175.800 0.210 0.000 1.049 355 F CA 0.428 58.476 58.000 0.079 0.000 1.227 355 F CB -0.576 38.448 39.000 0.039 0.000 1.527 355 F HN 0.677 nan 8.300 nan 0.000 0.624 356 N N 2.938 121.349 118.700 -0.482 0.000 3.742 356 N HA -0.305 4.390 4.740 -0.076 0.000 0.337 356 N C 0.143 175.536 175.510 -0.196 0.000 1.387 356 N CA 1.465 54.286 53.050 -0.382 0.000 3.068 356 N CB -0.212 38.227 38.487 -0.081 0.000 0.351 356 N HN 0.798 nan 8.380 nan 0.000 0.928 357 N N 0.429 119.003 118.700 -0.211 0.000 1.527 357 N HA -0.236 4.458 4.740 -0.076 0.000 0.109 357 N C 1.104 176.629 175.510 0.025 0.000 0.829 357 N CA 1.600 54.608 53.050 -0.070 0.000 0.846 357 N CB -1.390 37.075 38.487 -0.037 0.000 0.864 357 N HN 0.789 nan 8.380 nan 0.000 0.691 358 G N 0.349 109.194 108.800 0.074 0.000 2.598 358 G HA2 0.106 4.021 3.960 -0.076 0.000 0.215 358 G HA3 0.106 4.021 3.960 -0.076 0.000 0.215 358 G C 0.870 175.877 174.900 0.178 0.000 1.131 358 G CA 1.351 46.520 45.100 0.115 0.000 0.785 358 G HN 0.596 nan 8.290 nan 0.000 0.539 359 M N -1.376 118.371 119.600 0.244 0.000 2.518 359 M HA 0.793 5.227 4.480 -0.076 0.000 0.300 359 M C -0.802 175.680 176.300 0.304 0.000 1.175 359 M CA -1.127 54.340 55.300 0.278 0.000 0.890 359 M CB 2.390 35.162 32.600 0.287 0.000 1.710 359 M HN -0.078 nan 8.290 nan 0.000 0.453 360 M N 3.009 122.751 119.600 0.237 0.000 2.578 360 M HA 0.831 5.266 4.480 -0.076 0.000 0.321 360 M C -2.019 174.307 176.300 0.043 0.000 1.182 360 M CA -0.664 54.735 55.300 0.164 0.000 0.965 360 M CB 2.278 34.952 32.600 0.124 0.000 1.694 360 M HN 0.704 nan 8.290 nan 0.000 0.461 361 V N 1.959 121.794 119.914 -0.133 0.000 2.735 361 V HA 0.798 4.873 4.120 -0.076 0.000 0.310 361 V C -0.475 175.633 176.094 0.022 0.000 1.061 361 V CA -0.524 61.693 62.300 -0.139 0.000 0.913 361 V CB 1.869 33.429 31.823 -0.440 0.000 1.005 361 V HN 0.961 nan 8.190 nan 0.000 0.428 362 T N 2.567 117.200 114.554 0.131 0.000 2.889 362 T HA 0.721 5.025 4.350 -0.076 0.000 0.315 362 T C -1.110 173.709 174.700 0.198 0.000 1.291 362 T CA -0.132 62.087 62.100 0.199 0.000 1.028 362 T CB 1.296 70.405 68.868 0.401 0.000 1.235 362 T HN 1.351 nan 8.240 nan 0.000 0.491 363 C N 1.226 120.564 119.300 0.064 0.000 3.321 363 C HA 0.983 5.398 4.460 -0.076 0.000 0.329 363 C C -0.685 174.175 174.990 -0.217 0.000 1.394 363 C CA -0.690 58.314 59.018 -0.024 0.000 1.291 363 C CB 1.067 28.821 27.740 0.023 0.000 1.606 363 C HN 1.044 nan 8.230 nan 0.000 0.463 364 S N -0.496 115.084 115.700 -0.200 0.000 2.588 364 S HA 0.445 4.869 4.470 -0.076 0.000 0.269 364 S C 0.318 174.849 174.600 -0.115 0.000 1.157 364 S CA -0.096 57.952 58.200 -0.253 0.000 0.824 364 S CB 1.721 64.606 63.200 -0.525 0.000 1.126 364 S HN 1.131 nan 8.310 nan 0.000 0.464 365 K N 0.865 121.203 120.400 -0.103 0.000 2.218 365 K HA -0.151 4.124 4.320 -0.076 0.000 0.205 365 K C 1.040 177.623 176.600 -0.028 0.000 1.046 365 K CA 2.264 58.515 56.287 -0.061 0.000 0.933 365 K CB -0.296 32.169 32.500 -0.059 0.000 0.728 365 K HN 0.676 nan 8.250 nan 0.000 0.454 366 D N 0.109 120.499 120.400 -0.016 0.000 2.371 366 D HA -0.143 4.452 4.640 -0.076 0.000 0.234 366 D C 0.034 176.361 176.300 0.045 0.000 1.049 366 D CA 0.477 54.491 54.000 0.023 0.000 0.907 366 D CB -0.073 40.762 40.800 0.057 0.000 0.891 366 D HN 0.312 nan 8.370 nan 0.000 0.531 367 R N -1.606 118.917 120.500 0.038 0.000 3.728 367 R HA -0.151 4.144 4.340 -0.076 0.000 0.478 367 R C 0.187 176.554 176.300 0.112 0.000 0.932 367 R CA 1.118 57.260 56.100 0.070 0.000 1.317 367 R CB -2.429 27.920 30.300 0.081 0.000 1.987 367 R HN 0.459 nan 8.270 nan 0.000 0.509 368 S N 0.119 115.887 115.700 0.115 0.000 2.718 368 S HA 0.824 5.248 4.470 -0.076 0.000 0.300 368 S C 0.035 174.722 174.600 0.146 0.000 1.117 368 S CA -0.934 57.343 58.200 0.129 0.000 1.002 368 S CB 2.123 65.407 63.200 0.140 0.000 1.092 368 S HN 0.202 nan 8.310 nan 0.000 0.542 369 I N 1.034 121.628 120.570 0.040 0.000 2.474 369 I HA 0.665 4.790 4.170 -0.076 0.000 0.294 369 I C -0.074 176.007 176.117 -0.060 0.000 1.005 369 I CA -0.787 60.510 61.300 -0.005 0.000 1.113 369 I CB 1.992 39.866 38.000 -0.210 0.000 1.289 369 I HN 0.906 nan 8.210 nan 0.000 0.436 370 A N 5.599 128.419 122.820 -0.000 0.000 2.342 370 A HA 0.823 5.097 4.320 -0.076 0.000 0.323 370 A C -0.940 176.410 177.584 -0.390 0.000 1.125 370 A CA -0.571 51.257 52.037 -0.349 0.000 0.785 370 A CB 1.316 19.957 19.000 -0.599 0.000 1.221 370 A HN 0.431 nan 8.150 nan 0.000 0.463 371 V N 2.299 121.882 119.914 -0.551 0.000 2.384 371 V HA 0.415 4.489 4.120 -0.076 0.000 0.287 371 V C -1.233 174.595 176.094 -0.443 0.000 1.020 371 V CA -0.225 61.864 62.300 -0.352 0.000 0.850 371 V CB 0.647 32.341 31.823 -0.215 0.000 0.987 371 V HN 0.859 nan 8.190 nan 0.000 0.436 372 W N 2.681 123.911 121.300 -0.117 0.000 2.532 372 W HA 0.581 5.190 4.660 -0.084 0.000 0.321 372 W C -0.476 176.028 176.519 -0.025 0.000 1.037 372 W CA -1.136 56.157 57.345 -0.087 0.000 1.220 372 W CB 0.850 30.255 29.460 -0.092 0.000 1.361 372 W HN 0.583 nan 8.180 nan 0.000 0.468 373 D N 2.637 123.142 120.400 0.175 0.000 2.313 373 D HA 0.365 4.960 4.640 -0.076 0.000 0.239 373 D C -0.326 176.065 176.300 0.151 0.000 1.142 373 D CA -0.396 53.695 54.000 0.153 0.000 0.847 373 D CB 0.743 41.603 40.800 0.099 0.000 1.082 373 D HN 0.203 nan 8.370 nan 0.000 0.480 374 M N 1.681 121.372 119.600 0.152 0.000 2.188 374 M HA 0.445 4.880 4.480 -0.076 0.000 0.357 374 M C 0.719 177.073 176.300 0.090 0.000 1.204 374 M CA -0.648 54.721 55.300 0.113 0.000 1.095 374 M CB 2.018 34.691 32.600 0.122 0.000 1.604 374 M HN 0.615 nan 8.290 nan 0.000 0.464 375 A N 1.883 124.741 122.820 0.062 0.000 2.220 375 A HA 0.457 4.731 4.320 -0.076 0.000 0.211 375 A C 0.444 178.051 177.584 0.039 0.000 1.176 375 A CA 0.285 52.351 52.037 0.048 0.000 0.834 375 A CB 0.407 19.428 19.000 0.036 0.000 0.868 375 A HN 0.706 nan 8.150 nan 0.000 0.488 376 S N -2.473 113.247 115.700 0.034 0.000 2.633 376 S HA 0.329 4.753 4.470 -0.076 0.000 0.271 376 S C -2.629 171.971 174.600 0.001 0.000 1.112 376 S CA -0.513 57.700 58.200 0.022 0.000 0.828 376 S CB 0.959 64.164 63.200 0.008 0.000 1.086 376 S HN -0.095 nan 8.310 nan 0.000 0.461 377 P HA -0.092 nan 4.420 nan 0.000 0.216 377 P C 1.242 178.499 177.300 -0.073 0.000 1.153 377 P CA 1.723 64.789 63.100 -0.057 0.000 0.858 377 P CB -0.202 31.466 31.700 -0.053 0.000 0.789 378 T N -1.213 113.311 114.554 -0.051 0.000 2.803 378 T HA -0.129 4.176 4.350 -0.076 0.000 0.269 378 T C 1.261 175.936 174.700 -0.042 0.000 1.052 378 T CA 1.492 63.562 62.100 -0.050 0.000 1.136 378 T CB -0.593 68.254 68.868 -0.035 0.000 0.864 378 T HN 0.160 nan 8.240 nan 0.000 0.467 379 D N -0.223 120.162 120.400 -0.026 0.000 2.384 379 D HA 0.306 4.900 4.640 -0.076 0.000 0.268 379 D C 0.330 176.627 176.300 -0.006 0.000 1.288 379 D CA -0.429 53.567 54.000 -0.008 0.000 1.013 379 D CB 0.095 40.901 40.800 0.011 0.000 0.919 379 D HN 0.251 nan 8.370 nan 0.000 0.270 380 I N 0.185 120.768 120.570 0.022 0.000 8.311 380 I HA -0.221 3.904 4.170 -0.076 0.000 0.126 380 I C -0.986 175.216 176.117 0.141 0.000 1.853 380 I CA -0.060 61.273 61.300 0.056 0.000 2.041 380 I CB -1.160 36.799 38.000 -0.069 0.000 3.804 380 I HN 0.064 nan 8.210 nan 0.000 0.170 381 T N 7.122 121.793 114.554 0.194 0.000 2.887 381 T HA 0.615 4.919 4.350 -0.076 0.000 0.288 381 T C -0.283 174.527 174.700 0.184 0.000 1.021 381 T CA -0.735 61.472 62.100 0.178 0.000 1.000 381 T CB 2.236 71.147 68.868 0.071 0.000 1.034 381 T HN 0.425 nan 8.240 nan 0.000 0.467 382 L N 3.519 124.729 121.223 -0.020 0.000 2.456 382 L HA 0.334 4.628 4.340 -0.076 0.000 0.277 382 L C 1.600 178.282 176.870 -0.314 0.000 1.124 382 L CA 0.105 54.643 54.840 -0.504 0.000 0.880 382 L CB 0.121 41.736 42.059 -0.739 0.000 1.192 382 L HN 0.616 nan 8.230 nan 0.000 0.463 383 R N 3.950 124.268 120.500 -0.303 0.000 2.060 383 R HA 0.124 4.419 4.340 -0.076 0.000 0.225 383 R C 0.625 176.786 176.300 -0.232 0.000 1.155 383 R CA 0.846 56.832 56.100 -0.189 0.000 0.930 383 R CB 0.281 30.509 30.300 -0.120 0.000 0.829 383 R HN 0.727 nan 8.270 nan 0.000 0.433 384 R N -1.197 119.120 120.500 -0.304 0.000 2.844 384 R HA 0.314 4.609 4.340 -0.076 0.000 0.264 384 R C -1.690 174.387 176.300 -0.373 0.000 1.077 384 R CA -0.637 55.286 56.100 -0.296 0.000 0.953 384 R CB 2.077 32.269 30.300 -0.179 0.000 1.272 384 R HN 0.103 nan 8.270 nan 0.000 0.447 385 V N 0.461 120.209 119.914 -0.276 0.000 2.540 385 V HA 0.568 4.642 4.120 -0.076 0.000 0.302 385 V C -0.579 175.373 176.094 -0.236 0.000 1.035 385 V CA -0.928 61.224 62.300 -0.248 0.000 0.873 385 V CB 1.511 33.247 31.823 -0.145 0.000 0.992 385 V HN 0.466 nan 8.190 nan 0.000 0.428 386 L N 4.678 125.702 121.223 -0.333 0.000 2.265 386 L HA 0.706 5.001 4.340 -0.076 0.000 0.289 386 L C -0.628 176.082 176.870 -0.267 0.000 1.033 386 L CA -0.686 53.854 54.840 -0.501 0.000 0.814 386 L CB 1.572 42.896 42.059 -1.225 0.000 1.203 386 L HN 0.475 nan 8.230 nan 0.000 0.423 387 V N 2.482 122.361 119.914 -0.058 0.000 2.409 387 V HA 0.706 4.780 4.120 -0.076 0.000 0.291 387 V C 0.616 176.862 176.094 0.253 0.000 1.020 387 V CA 0.069 62.420 62.300 0.086 0.000 0.848 387 V CB 1.407 33.270 31.823 0.066 0.000 0.990 387 V HN 1.050 nan 8.190 nan 0.000 0.430 388 G N 2.547 111.509 108.800 0.271 0.000 4.251 388 G HA2 0.041 3.955 3.960 -0.076 0.000 0.147 388 G HA3 0.041 3.955 3.960 -0.076 0.000 0.147 388 G C 0.189 175.165 174.900 0.126 0.000 1.014 388 G CA -0.320 44.948 45.100 0.281 0.000 0.831 388 G HN 0.564 nan 8.290 nan 0.000 0.539 389 H N 0.590 119.785 119.070 0.208 0.000 2.615 389 H HA 0.397 4.909 4.556 -0.073 0.000 0.363 389 H C 0.739 176.122 175.328 0.091 0.000 1.148 389 H CA 0.339 56.462 56.048 0.126 0.000 1.401 389 H CB 1.459 31.285 29.762 0.107 0.000 1.461 389 H HN 0.093 nan 8.280 nan 0.000 0.588 390 R N 0.738 121.367 120.500 0.215 0.000 2.397 390 R HA 0.411 4.705 4.340 -0.076 0.000 0.241 390 R C -0.029 176.326 176.300 0.091 0.000 0.914 390 R CA 0.097 56.272 56.100 0.125 0.000 1.071 390 R CB 0.854 31.213 30.300 0.098 0.000 1.116 390 R HN 0.579 nan 8.270 nan 0.000 0.524 391 A N 0.065 122.938 122.820 0.088 0.000 2.524 391 A HA 0.730 5.005 4.320 -0.076 0.000 0.303 391 A C -1.288 176.297 177.584 0.002 0.000 1.195 391 A CA -0.612 51.446 52.037 0.035 0.000 0.651 391 A CB 0.109 19.120 19.000 0.018 0.000 1.323 391 A HN 0.117 nan 8.150 nan 0.000 0.479 392 A N -0.265 122.538 122.820 -0.027 0.000 2.584 392 A HA 0.444 4.718 4.320 -0.076 0.000 0.239 392 A C 0.023 177.536 177.584 -0.117 0.000 1.043 392 A CA 0.308 52.312 52.037 -0.056 0.000 0.756 392 A CB -0.582 18.384 19.000 -0.056 0.000 0.963 392 A HN 1.459 nan 8.150 nan 0.000 0.511 393 V N 5.000 124.841 119.914 -0.122 0.000 2.353 393 V HA 0.080 4.155 4.120 -0.076 0.000 0.264 393 V C 0.770 176.787 176.094 -0.128 0.000 1.049 393 V CA -0.422 61.764 62.300 -0.190 0.000 0.896 393 V CB 0.476 32.223 31.823 -0.126 0.000 1.025 393 V HN 0.958 nan 8.190 nan 0.000 0.475 394 N N 3.264 121.876 118.700 -0.148 0.000 2.416 394 N HA 0.030 4.724 4.740 -0.076 0.000 0.177 394 N C 0.065 175.494 175.510 -0.136 0.000 1.036 394 N CA 0.701 53.679 53.050 -0.119 0.000 0.901 394 N CB 0.844 39.258 38.487 -0.122 0.000 0.976 394 N HN 0.519 nan 8.380 nan 0.000 0.444 395 V N -0.048 119.782 119.914 -0.139 0.000 2.969 395 V HA 0.432 4.507 4.120 -0.076 0.000 0.304 395 V C -0.580 175.500 176.094 -0.023 0.000 1.192 395 V CA -0.946 61.231 62.300 -0.206 0.000 0.962 395 V CB 2.468 34.141 31.823 -0.250 0.000 1.045 395 V HN -0.300 nan 8.190 nan 0.000 0.428 396 V N 1.946 121.943 119.914 0.139 0.000 3.040 396 V HA 0.944 5.019 4.120 -0.076 0.000 0.312 396 V C -1.481 174.749 176.094 0.228 0.000 1.115 396 V CA 0.005 62.405 62.300 0.166 0.000 0.998 396 V CB 2.401 34.306 31.823 0.137 0.000 1.042 396 V HN 1.160 nan 8.190 nan 0.000 0.433 397 D N 2.032 122.557 120.400 0.209 0.000 2.725 397 D HA 0.486 5.080 4.640 -0.076 0.000 0.292 397 D C -2.205 174.365 176.300 0.451 0.000 1.288 397 D CA -0.126 54.055 54.000 0.302 0.000 0.784 397 D CB 1.833 42.796 40.800 0.272 0.000 1.308 397 D HN 0.316 nan 8.370 nan 0.000 0.429 398 F N 1.574 121.695 119.950 0.284 0.000 2.622 398 F HA 0.467 4.951 4.527 -0.070 0.000 0.318 398 F C -1.646 174.325 175.800 0.286 0.000 1.135 398 F CA -0.649 57.507 58.000 0.260 0.000 1.015 398 F CB 1.555 40.651 39.000 0.161 0.000 1.275 398 F HN 0.361 nan 8.300 nan 0.000 0.457 399 D N 2.794 123.248 120.400 0.090 0.000 2.622 399 D HA 0.212 4.807 4.640 -0.076 0.000 0.255 399 D C 0.097 176.264 176.300 -0.222 0.000 1.246 399 D CA -0.437 53.468 54.000 -0.158 0.000 0.795 399 D CB 1.161 41.920 40.800 -0.069 0.000 1.369 399 D HN 0.320 nan 8.370 nan 0.000 0.425 400 D N 0.141 120.397 120.400 -0.240 0.000 2.248 400 D HA -0.249 4.346 4.640 -0.076 0.000 0.191 400 D C 1.544 177.777 176.300 -0.112 0.000 1.013 400 D CA 2.713 56.608 54.000 -0.176 0.000 0.883 400 D CB 0.056 40.779 40.800 -0.127 0.000 0.915 400 D HN 0.678 nan 8.370 nan 0.000 0.448 401 K N -1.973 118.376 120.400 -0.085 0.000 2.354 401 K HA 0.076 4.351 4.320 -0.076 0.000 0.194 401 K C -0.025 176.329 176.600 -0.410 0.000 1.038 401 K CA 0.142 56.282 56.287 -0.245 0.000 1.052 401 K CB 0.638 32.944 32.500 -0.324 0.000 0.861 401 K HN 0.199 nan 8.250 nan 0.000 0.535 402 Y N 0.119 120.521 120.300 0.169 0.000 2.609 402 Y HA 0.458 4.963 4.550 -0.076 0.000 0.336 402 Y C -0.925 175.083 175.900 0.180 0.000 1.129 402 Y CA -1.320 56.847 58.100 0.112 0.000 1.040 402 Y CB 2.155 40.581 38.460 -0.057 0.000 1.310 402 Y HN -0.200 nan 8.280 nan 0.000 0.460 403 I N 3.604 124.410 120.570 0.392 0.000 2.418 403 I HA 0.437 4.561 4.170 -0.076 0.000 0.287 403 I C -1.032 175.240 176.117 0.258 0.000 1.008 403 I CA -1.042 60.482 61.300 0.374 0.000 1.104 403 I CB 1.575 39.778 38.000 0.339 0.000 1.264 403 I HN 0.325 nan 8.210 nan 0.000 0.438 404 V N 3.635 123.613 119.914 0.107 0.000 2.459 404 V HA 0.808 4.882 4.120 -0.076 0.000 0.295 404 V C -0.060 176.102 176.094 0.113 0.000 1.029 404 V CA -0.200 62.100 62.300 0.001 0.000 0.874 404 V CB 1.474 33.148 31.823 -0.249 0.000 0.985 404 V HN 0.759 nan 8.190 nan 0.000 0.438 405 S N 3.633 119.441 115.700 0.181 0.000 2.600 405 S HA 1.011 5.435 4.470 -0.076 0.000 0.300 405 S C -0.281 174.374 174.600 0.092 0.000 1.087 405 S CA -0.293 58.025 58.200 0.197 0.000 0.965 405 S CB 1.941 65.403 63.200 0.437 0.000 1.089 405 S HN 2.289 nan 8.310 nan 0.000 0.496 406 A N 1.016 123.795 122.820 -0.068 0.000 2.549 406 A HA 0.899 5.173 4.320 -0.076 0.000 0.297 406 A C -0.307 177.069 177.584 -0.346 0.000 1.061 406 A CA -0.638 51.297 52.037 -0.170 0.000 0.690 406 A CB 1.397 20.327 19.000 -0.116 0.000 1.287 406 A HN 1.598 nan 8.150 nan 0.000 0.402 407 S N -0.243 115.231 115.700 -0.377 0.000 2.811 407 S HA 0.722 5.146 4.470 -0.076 0.000 0.311 407 S C 0.742 175.252 174.600 -0.150 0.000 1.152 407 S CA -0.083 57.925 58.200 -0.320 0.000 0.864 407 S CB 1.196 64.125 63.200 -0.451 0.000 1.226 407 S HN 1.709 nan 8.310 nan 0.000 0.541 408 G N 0.262 109.000 108.800 -0.103 0.000 3.088 408 G HA2 0.081 3.996 3.960 -0.076 0.000 0.212 408 G HA3 0.081 3.996 3.960 -0.076 0.000 0.212 408 G C 0.522 175.412 174.900 -0.017 0.000 1.173 408 G CA 0.433 45.499 45.100 -0.056 0.000 0.779 408 G HN 0.830 nan 8.290 nan 0.000 0.540 409 D N 0.046 120.446 120.400 -0.000 0.000 2.336 409 D HA -0.038 4.557 4.640 -0.076 0.000 0.229 409 D C 1.228 177.562 176.300 0.056 0.000 1.061 409 D CA -0.444 53.585 54.000 0.050 0.000 0.875 409 D CB -0.283 40.583 40.800 0.108 0.000 0.904 409 D HN 0.300 nan 8.370 nan 0.000 0.525 410 R N -1.317 119.203 120.500 0.033 0.000 3.951 410 R HA -0.144 4.151 4.340 -0.076 0.000 0.352 410 R C -0.125 176.224 176.300 0.082 0.000 1.178 410 R CA 1.270 57.406 56.100 0.060 0.000 0.949 410 R CB -3.099 27.248 30.300 0.079 0.000 1.452 410 R HN 0.541 nan 8.270 nan 0.000 0.540 411 T N -1.832 112.761 114.554 0.065 0.000 2.887 411 T HA 0.751 5.055 4.350 -0.076 0.000 0.288 411 T C 0.041 174.748 174.700 0.012 0.000 1.021 411 T CA -1.004 61.119 62.100 0.038 0.000 1.000 411 T CB 1.956 70.848 68.868 0.040 0.000 1.034 411 T HN 0.190 nan 8.240 nan 0.000 0.467 412 I N 2.606 123.081 120.570 -0.159 0.000 2.312 412 I HA 0.400 4.525 4.170 -0.076 0.000 0.290 412 I C 0.276 176.204 176.117 -0.314 0.000 1.008 412 I CA -0.784 60.380 61.300 -0.227 0.000 1.226 412 I CB 1.252 38.982 38.000 -0.451 0.000 1.371 412 I HN 0.497 nan 8.210 nan 0.000 0.468 413 K N 5.105 125.348 120.400 -0.261 0.000 2.138 413 K HA 0.653 4.927 4.320 -0.076 0.000 0.263 413 K C -0.994 175.165 176.600 -0.736 0.000 0.965 413 K CA -0.713 55.165 56.287 -0.682 0.000 0.868 413 K CB 2.404 34.269 32.500 -1.058 0.000 1.083 413 K HN 0.289 nan 8.250 nan 0.000 0.443 414 V N 3.251 122.609 119.914 -0.926 0.000 2.384 414 V HA 0.361 4.436 4.120 -0.076 0.000 0.287 414 V C -1.195 174.507 176.094 -0.652 0.000 1.020 414 V CA -0.891 61.005 62.300 -0.674 0.000 0.850 414 V CB 0.400 31.824 31.823 -0.665 0.000 0.987 414 V HN 0.666 nan 8.190 nan 0.000 0.436 415 W N 2.176 123.403 121.300 -0.121 0.000 2.606 415 W HA 0.473 5.088 4.660 -0.074 0.000 0.332 415 W C 0.351 176.988 176.519 0.196 0.000 1.052 415 W CA -0.843 56.503 57.345 0.002 0.000 1.223 415 W CB 0.808 30.251 29.460 -0.028 0.000 1.383 415 W HN 0.523 nan 8.180 nan 0.000 0.524 416 N N 1.023 119.963 118.700 0.399 0.000 2.438 416 N HA -0.021 4.674 4.740 -0.076 0.000 0.267 416 N C 1.146 176.789 175.510 0.221 0.000 1.222 416 N CA 0.409 53.624 53.050 0.275 0.000 0.930 416 N CB 0.788 39.387 38.487 0.187 0.000 1.083 416 N HN 0.521 nan 8.380 nan 0.000 0.476 417 T N 0.423 115.082 114.554 0.176 0.000 2.897 417 T HA -0.132 4.173 4.350 -0.076 0.000 0.271 417 T C 1.341 176.122 174.700 0.135 0.000 1.084 417 T CA 1.182 63.398 62.100 0.194 0.000 1.123 417 T CB -0.019 68.939 68.868 0.149 0.000 0.865 417 T HN 0.423 nan 8.240 nan 0.000 0.496 418 S N 1.213 116.962 115.700 0.083 0.000 2.506 418 S HA 0.023 4.447 4.470 -0.076 0.000 0.230 418 S C 2.180 176.815 174.600 0.060 0.000 1.066 418 S CA 0.604 58.840 58.200 0.059 0.000 0.940 418 S CB -0.013 63.204 63.200 0.028 0.000 0.818 418 S HN 0.724 nan 8.310 nan 0.000 0.518 419 T N -0.625 113.974 114.554 0.074 0.000 3.086 419 T HA 0.155 4.459 4.350 -0.076 0.000 0.250 419 T C 0.763 175.518 174.700 0.093 0.000 1.074 419 T CA -0.031 62.113 62.100 0.074 0.000 0.988 419 T CB -0.808 68.106 68.868 0.076 0.000 0.988 419 T HN 0.299 nan 8.240 nan 0.000 0.530 420 C N 3.146 122.516 119.300 0.115 0.000 3.886 420 C HA -0.131 4.283 4.460 -0.076 0.000 0.295 420 C C 0.568 175.689 174.990 0.218 0.000 1.411 420 C CA 0.402 59.495 59.018 0.124 0.000 2.059 420 C CB -2.728 25.015 27.740 0.005 0.000 1.329 420 C HN 0.838 nan 8.230 nan 0.000 0.670 421 E N -0.884 119.490 120.200 0.290 0.000 2.202 421 E HA 0.653 4.958 4.350 -0.076 0.000 0.272 421 E C -0.007 176.867 176.600 0.456 0.000 0.951 421 E CA -1.052 55.561 56.400 0.354 0.000 0.813 421 E CB 0.770 30.603 29.700 0.221 0.000 1.151 421 E HN 0.225 nan 8.360 nan 0.000 0.398 422 F N 2.042 122.139 119.950 0.246 0.000 2.594 422 F HA -0.164 4.318 4.527 -0.075 0.000 0.384 422 F C 1.259 176.977 175.800 -0.136 0.000 1.060 422 F CA 0.868 58.734 58.000 -0.223 0.000 1.278 422 F CB 0.704 39.585 39.000 -0.198 0.000 0.977 422 F HN 0.484 nan 8.300 nan 0.000 0.576 423 V N 1.503 121.374 119.914 -0.072 0.000 3.090 423 V HA 0.452 4.526 4.120 -0.076 0.000 0.237 423 V C 0.494 176.596 176.094 0.014 0.000 1.209 423 V CA -0.032 62.285 62.300 0.029 0.000 1.209 423 V CB 0.148 31.996 31.823 0.041 0.000 0.971 423 V HN 0.727 nan 8.190 nan 0.000 0.477 424 R N -0.287 120.100 120.500 -0.188 0.000 2.831 424 R HA 0.741 5.035 4.340 -0.076 0.000 0.266 424 R C -1.245 174.897 176.300 -0.264 0.000 1.051 424 R CA -0.057 55.955 56.100 -0.147 0.000 0.943 424 R CB 2.288 32.454 30.300 -0.222 0.000 1.228 424 R HN 0.380 nan 8.270 nan 0.000 0.467 425 T N 1.339 115.803 114.554 -0.149 0.000 2.824 425 T HA 0.419 4.723 4.350 -0.076 0.000 0.282 425 T C -0.369 174.193 174.700 -0.231 0.000 0.993 425 T CA -0.789 61.170 62.100 -0.236 0.000 0.967 425 T CB 0.929 69.733 68.868 -0.108 0.000 0.960 425 T HN 0.188 nan 8.240 nan 0.000 0.441 426 L N 4.931 125.931 121.223 -0.371 0.000 2.334 426 L HA 0.341 4.635 4.340 -0.076 0.000 0.286 426 L C 0.496 177.165 176.870 -0.335 0.000 1.108 426 L CA -0.860 53.682 54.840 -0.496 0.000 0.875 426 L CB -0.361 41.034 42.059 -1.106 0.000 1.246 426 L HN 0.683 nan 8.230 nan 0.000 0.439 427 N N 2.136 120.797 118.700 -0.066 0.000 2.492 427 N HA 0.570 5.264 4.740 -0.076 0.000 0.289 427 N C 0.539 176.181 175.510 0.220 0.000 1.133 427 N CA 0.080 53.165 53.050 0.058 0.000 0.961 427 N CB 2.522 41.036 38.487 0.044 0.000 1.186 427 N HN 0.585 nan 8.380 nan 0.000 0.493 428 G N -0.306 108.627 108.800 0.222 0.000 3.382 428 G HA2 -0.148 3.767 3.960 -0.076 0.000 0.214 428 G HA3 -0.148 3.767 3.960 -0.076 0.000 0.214 428 G C -0.319 174.656 174.900 0.125 0.000 1.025 428 G CA -0.489 44.727 45.100 0.194 0.000 0.869 428 G HN 0.689 nan 8.290 nan 0.000 0.458 429 H N 1.514 120.723 119.070 0.231 0.000 2.815 429 H HA 0.257 4.769 4.556 -0.073 0.000 0.350 429 H C 1.001 176.376 175.328 0.079 0.000 1.080 429 H CA 0.619 56.750 56.048 0.138 0.000 1.433 429 H CB 1.339 31.189 29.762 0.146 0.000 1.432 429 H HN 0.196 nan 8.280 nan 0.000 0.592 430 K N 2.301 122.808 120.400 0.178 0.000 2.365 430 K HA 0.048 4.323 4.320 -0.076 0.000 0.197 430 K C 0.765 177.417 176.600 0.087 0.000 1.042 430 K CA 0.594 56.942 56.287 0.101 0.000 0.987 430 K CB 0.628 33.167 32.500 0.064 0.000 0.779 430 K HN 0.416 nan 8.250 nan 0.000 0.484 431 R N -0.818 119.740 120.500 0.098 0.000 3.003 431 R HA 0.298 4.592 4.340 -0.076 0.000 0.251 431 R C -0.184 176.124 176.300 0.014 0.000 1.265 431 R CA -0.668 55.457 56.100 0.042 0.000 1.026 431 R CB 0.464 30.774 30.300 0.017 0.000 1.307 431 R HN 0.071 nan 8.270 nan 0.000 0.475 432 G N 0.736 109.517 108.800 -0.032 0.000 2.527 432 G HA2 0.379 4.294 3.960 -0.076 0.000 0.248 432 G HA3 0.379 4.294 3.960 -0.076 0.000 0.248 432 G C -0.206 174.604 174.900 -0.150 0.000 1.231 432 G CA -0.367 44.691 45.100 -0.069 0.000 0.838 432 G HN 0.251 nan 8.290 nan 0.000 0.570 433 I N 1.232 121.699 120.570 -0.172 0.000 2.342 433 I HA 0.335 4.460 4.170 -0.076 0.000 0.291 433 I C 1.226 177.241 176.117 -0.170 0.000 1.010 433 I CA -0.061 61.098 61.300 -0.235 0.000 1.308 433 I CB 1.916 39.790 38.000 -0.209 0.000 1.400 433 I HN 0.547 nan 8.210 nan 0.000 0.488 434 A N 5.073 127.794 122.820 -0.165 0.000 2.197 434 A HA 0.297 4.572 4.320 -0.076 0.000 0.210 434 A C 0.378 177.897 177.584 -0.108 0.000 1.180 434 A CA 0.393 52.359 52.037 -0.119 0.000 0.846 434 A CB -0.132 18.802 19.000 -0.109 0.000 0.884 434 A HN 0.794 nan 8.150 nan 0.000 0.487 435 C N -1.626 117.612 119.300 -0.103 0.000 3.046 435 C HA 0.720 5.135 4.460 -0.076 0.000 0.388 435 C C -0.896 174.082 174.990 -0.021 0.000 1.041 435 C CA -1.312 57.658 59.018 -0.080 0.000 1.241 435 C CB -0.156 27.566 27.740 -0.030 0.000 1.638 435 C HN 0.250 nan 8.230 nan 0.000 0.539 436 L N 2.108 123.319 121.223 -0.020 0.000 2.303 436 L HA 0.743 5.038 4.340 -0.076 0.000 0.266 436 L C -0.256 176.659 176.870 0.075 0.000 1.011 436 L CA -0.373 54.511 54.840 0.073 0.000 0.818 436 L CB 1.913 44.012 42.059 0.067 0.000 1.326 436 L HN 0.881 nan 8.230 nan 0.000 0.435 437 Q N 0.649 120.520 119.800 0.118 0.000 2.421 437 Q HA 0.394 4.689 4.340 -0.076 0.000 0.280 437 Q C -2.136 173.812 176.000 -0.086 0.000 1.085 437 Q CA -0.688 55.056 55.803 -0.100 0.000 0.807 437 Q CB 3.315 31.824 28.738 -0.380 0.000 1.405 437 Q HN 0.544 nan 8.270 nan 0.000 0.419 438 Y N 2.089 122.205 120.300 -0.306 0.000 2.332 438 Y HA 0.597 5.101 4.550 -0.076 0.000 0.325 438 Y C -1.798 174.033 175.900 -0.115 0.000 1.054 438 Y CA -0.579 57.471 58.100 -0.082 0.000 1.119 438 Y CB 1.576 40.080 38.460 0.073 0.000 1.168 438 Y HN 0.679 nan 8.280 nan 0.000 0.439 439 R N 5.435 125.678 120.500 -0.430 0.000 2.574 439 R HA 0.315 4.609 4.340 -0.076 0.000 0.288 439 R C -0.147 176.017 176.300 -0.226 0.000 1.004 439 R CA -0.011 55.867 56.100 -0.370 0.000 0.895 439 R CB 1.046 31.276 30.300 -0.117 0.000 1.191 439 R HN 0.989 nan 8.270 nan 0.000 0.444 440 D N 2.027 122.252 120.400 -0.293 0.000 4.472 440 D HA -0.402 4.193 4.640 -0.076 0.000 0.293 440 D C 0.754 177.062 176.300 0.013 0.000 0.500 440 D CA 1.815 55.749 54.000 -0.110 0.000 1.076 440 D CB -0.293 40.503 40.800 -0.006 0.000 0.581 440 D HN 0.647 nan 8.370 nan 0.000 0.326 441 R N 0.507 121.069 120.500 0.103 0.000 2.237 441 R HA 0.239 4.534 4.340 -0.076 0.000 0.195 441 R C 0.501 176.954 176.300 0.256 0.000 0.956 441 R CA -0.137 56.070 56.100 0.178 0.000 1.029 441 R CB 0.237 30.606 30.300 0.116 0.000 0.972 441 R HN 0.208 nan 8.270 nan 0.000 0.493 442 L N 0.471 121.873 121.223 0.299 0.000 2.334 442 L HA 0.478 4.772 4.340 -0.076 0.000 0.273 442 L C -1.161 176.100 176.870 0.651 0.000 1.013 442 L CA -0.598 54.450 54.840 0.346 0.000 0.816 442 L CB 2.061 44.175 42.059 0.093 0.000 1.278 442 L HN -0.264 nan 8.230 nan 0.000 0.431 443 V N 5.358 125.619 119.914 0.578 0.000 2.668 443 V HA 0.696 4.770 4.120 -0.076 0.000 0.304 443 V C -1.761 174.727 176.094 0.656 0.000 1.071 443 V CA -0.344 62.359 62.300 0.670 0.000 0.894 443 V CB 2.212 34.281 31.823 0.409 0.000 1.008 443 V HN 0.519 nan 8.190 nan 0.000 0.425 444 V N 6.654 126.967 119.914 0.664 0.000 2.487 444 V HA 0.797 4.872 4.120 -0.076 0.000 0.298 444 V C -0.041 176.294 176.094 0.401 0.000 1.028 444 V CA 0.023 62.604 62.300 0.469 0.000 0.860 444 V CB 2.290 34.370 31.823 0.429 0.000 0.991 444 V HN 1.142 nan 8.190 nan 0.000 0.427 445 S N 3.030 118.955 115.700 0.375 0.000 2.568 445 S HA 0.919 5.344 4.470 -0.076 0.000 0.293 445 S C -0.212 174.482 174.600 0.157 0.000 1.089 445 S CA -0.644 57.730 58.200 0.288 0.000 0.945 445 S CB 2.167 65.654 63.200 0.479 0.000 1.077 445 S HN 1.043 nan 8.310 nan 0.000 0.485 446 G N -0.024 108.776 108.800 0.000 0.000 2.452 446 G HA2 0.622 4.536 3.960 -0.076 0.000 0.324 446 G HA3 0.622 4.536 3.960 -0.076 0.000 0.324 446 G C -0.950 173.826 174.900 -0.206 0.000 1.214 446 G CA -0.661 44.396 45.100 -0.072 0.000 0.947 446 G HN 0.842 nan 8.290 nan 0.000 0.478 447 S N 0.229 115.809 115.700 -0.199 0.000 2.599 447 S HA 0.514 4.938 4.470 -0.076 0.000 0.294 447 S C 1.403 175.910 174.600 -0.156 0.000 1.094 447 S CA -0.250 57.799 58.200 -0.251 0.000 0.931 447 S CB 1.752 64.755 63.200 -0.327 0.000 1.093 447 S HN 0.466 nan 8.310 nan 0.000 0.488 448 S N 1.682 117.293 115.700 -0.150 0.000 2.440 448 S HA -0.135 4.289 4.470 -0.076 0.000 0.238 448 S C 1.152 175.716 174.600 -0.061 0.000 1.010 448 S CA 1.729 59.854 58.200 -0.125 0.000 0.972 448 S CB -0.599 62.544 63.200 -0.095 0.000 0.774 448 S HN 0.906 nan 8.310 nan 0.000 0.501 449 D N 0.498 120.890 120.400 -0.013 0.000 2.363 449 D HA 0.002 4.596 4.640 -0.076 0.000 0.226 449 D C 0.320 176.642 176.300 0.037 0.000 1.020 449 D CA 0.261 54.282 54.000 0.035 0.000 0.892 449 D CB -0.527 40.327 40.800 0.091 0.000 0.900 449 D HN 0.168 nan 8.370 nan 0.000 0.531 450 N N -1.435 117.272 118.700 0.012 0.000 2.965 450 N HA -0.161 4.534 4.740 -0.076 0.000 0.232 450 N C -0.520 175.034 175.510 0.074 0.000 0.913 450 N CA 1.539 54.609 53.050 0.033 0.000 0.981 450 N CB -2.024 36.496 38.487 0.054 0.000 1.077 450 N HN 0.658 nan 8.380 nan 0.000 0.589 451 T N -1.865 112.734 114.554 0.075 0.000 2.925 451 T HA 0.749 5.053 4.350 -0.076 0.000 0.285 451 T C 0.249 174.988 174.700 0.065 0.000 1.021 451 T CA -0.776 61.356 62.100 0.054 0.000 1.042 451 T CB 1.851 70.730 68.868 0.018 0.000 1.037 451 T HN 0.151 nan 8.240 nan 0.000 0.481 452 I N 2.004 122.527 120.570 -0.077 0.000 2.331 452 I HA 0.433 4.557 4.170 -0.076 0.000 0.292 452 I C 0.731 176.759 176.117 -0.149 0.000 0.998 452 I CA -0.662 60.569 61.300 -0.116 0.000 1.267 452 I CB 1.161 38.922 38.000 -0.398 0.000 1.386 452 I HN 0.537 nan 8.210 nan 0.000 0.476 453 R N 5.218 125.687 120.500 -0.051 0.000 2.604 453 R HA 0.707 5.002 4.340 -0.076 0.000 0.287 453 R C -1.495 174.568 176.300 -0.396 0.000 0.970 453 R CA -0.862 55.007 56.100 -0.385 0.000 0.946 453 R CB 1.475 31.331 30.300 -0.740 0.000 1.127 453 R HN 0.366 nan 8.270 nan 0.000 0.473 454 L N 2.816 123.696 121.223 -0.572 0.000 2.343 454 L HA 0.442 4.737 4.340 -0.076 0.000 0.278 454 L C -1.346 175.290 176.870 -0.389 0.000 0.996 454 L CA -0.111 54.522 54.840 -0.344 0.000 0.831 454 L CB 1.036 42.945 42.059 -0.250 0.000 1.232 454 L HN 0.503 nan 8.230 nan 0.000 0.413 455 W N 1.031 122.327 121.300 -0.008 0.000 2.627 455 W HA 0.501 5.116 4.660 -0.075 0.000 0.339 455 W C -0.116 176.419 176.519 0.026 0.000 1.058 455 W CA -0.780 56.566 57.345 0.002 0.000 1.223 455 W CB 1.012 30.480 29.460 0.014 0.000 1.389 455 W HN 0.434 nan 8.180 nan 0.000 0.541 456 D N 1.515 122.066 120.400 0.252 0.000 2.249 456 D HA 0.114 4.709 4.640 -0.076 0.000 0.246 456 D C 0.749 177.149 176.300 0.167 0.000 1.114 456 D CA -0.303 53.804 54.000 0.179 0.000 0.854 456 D CB 1.115 41.984 40.800 0.114 0.000 1.132 456 D HN 0.345 nan 8.370 nan 0.000 0.461 457 I N 3.497 124.169 120.570 0.169 0.000 2.361 457 I HA -0.178 3.946 4.170 -0.076 0.000 0.251 457 I C 1.598 177.688 176.117 -0.045 0.000 1.133 457 I CA 1.484 62.815 61.300 0.053 0.000 1.413 457 I CB -0.087 38.041 38.000 0.212 0.000 1.073 457 I HN 0.500 nan 8.210 nan 0.000 0.424 458 E N 0.211 120.452 120.200 0.067 0.000 2.011 458 E HA -0.177 4.127 4.350 -0.076 0.000 0.191 458 E C 2.433 179.050 176.600 0.029 0.000 0.980 458 E CA 1.714 58.157 56.400 0.071 0.000 0.814 458 E CB -1.112 28.667 29.700 0.131 0.000 0.775 458 E HN 0.664 nan 8.360 nan 0.000 0.454 459 C N -0.201 119.126 119.300 0.045 0.000 2.446 459 C HA 0.348 4.762 4.460 -0.076 0.000 0.279 459 C C 1.898 176.906 174.990 0.030 0.000 1.366 459 C CA 0.367 59.406 59.018 0.035 0.000 1.763 459 C CB -0.939 26.826 27.740 0.042 0.000 1.929 459 C HN 0.614 nan 8.230 nan 0.000 0.509 460 G N 0.394 109.221 108.800 0.045 0.000 2.141 460 G HA2 0.127 4.042 3.960 -0.076 0.000 0.242 460 G HA3 0.127 4.042 3.960 -0.076 0.000 0.242 460 G C 0.229 175.240 174.900 0.185 0.000 0.982 460 G CA 0.330 45.465 45.100 0.060 0.000 0.662 460 G HN 1.501 nan 8.290 nan 0.000 0.527 461 A N -0.770 122.140 122.820 0.150 0.000 2.425 461 A HA 0.528 4.803 4.320 -0.076 0.000 0.242 461 A C 1.107 178.790 177.584 0.166 0.000 1.077 461 A CA 0.634 52.751 52.037 0.133 0.000 0.781 461 A CB 0.445 19.479 19.000 0.057 0.000 1.020 461 A HN 1.687 nan 8.150 nan 0.000 0.494 462 C N 2.896 122.189 119.300 -0.011 0.000 2.435 462 C HA 0.529 4.943 4.460 -0.076 0.000 0.375 462 C C 1.422 176.269 174.990 -0.237 0.000 1.281 462 C CA -0.571 58.238 59.018 -0.349 0.000 1.963 462 C CB -1.398 25.934 27.740 -0.680 0.000 2.490 462 C HN 0.775 nan 8.230 nan 0.000 0.557 463 L N 3.262 124.340 121.223 -0.242 0.000 2.354 463 L HA 0.276 4.570 4.340 -0.076 0.000 0.212 463 L C 0.831 177.596 176.870 -0.175 0.000 1.091 463 L CA 0.424 55.172 54.840 -0.153 0.000 0.828 463 L CB -0.354 41.639 42.059 -0.109 0.000 0.973 463 L HN 0.697 nan 8.230 nan 0.000 0.461 464 R N -0.374 119.974 120.500 -0.253 0.000 2.764 464 R HA 0.368 4.663 4.340 -0.076 0.000 0.250 464 R C -2.155 173.974 176.300 -0.285 0.000 1.122 464 R CA -0.324 55.645 56.100 -0.219 0.000 1.022 464 R CB 0.747 30.945 30.300 -0.171 0.000 1.266 464 R HN -0.230 nan 8.270 nan 0.000 0.454 465 V N 5.553 125.329 119.914 -0.230 0.000 2.398 465 V HA 0.506 4.580 4.120 -0.076 0.000 0.286 465 V C -0.094 175.896 176.094 -0.173 0.000 1.026 465 V CA -0.673 61.487 62.300 -0.232 0.000 0.868 465 V CB 1.523 33.224 31.823 -0.203 0.000 0.982 465 V HN 0.641 nan 8.190 nan 0.000 0.443 466 L N 5.252 126.340 121.223 -0.225 0.000 2.276 466 L HA 0.541 4.835 4.340 -0.076 0.000 0.286 466 L C 0.231 177.016 176.870 -0.141 0.000 1.024 466 L CA -0.161 54.527 54.840 -0.254 0.000 0.826 466 L CB 1.112 42.758 42.059 -0.688 0.000 1.211 466 L HN 0.658 nan 8.230 nan 0.000 0.422 467 E N 1.540 121.777 120.200 0.061 0.000 2.222 467 E HA 0.636 4.941 4.350 -0.076 0.000 0.267 467 E C 0.405 177.191 176.600 0.310 0.000 0.963 467 E CA -0.015 56.469 56.400 0.141 0.000 0.837 467 E CB 2.497 32.244 29.700 0.078 0.000 1.183 467 E HN 0.747 nan 8.360 nan 0.000 0.403 468 G N 1.091 110.041 108.800 0.251 0.000 3.345 468 G HA2 -0.154 3.761 3.960 -0.076 0.000 0.199 468 G HA3 -0.154 3.761 3.960 -0.076 0.000 0.199 468 G C -0.053 174.917 174.900 0.117 0.000 1.057 468 G CA -0.602 44.600 45.100 0.170 0.000 0.865 468 G HN 0.523 nan 8.290 nan 0.000 0.449 469 H N 1.786 121.011 119.070 0.260 0.000 2.848 469 H HA 0.300 4.812 4.556 -0.073 0.000 0.317 469 H C 0.599 175.987 175.328 0.100 0.000 1.046 469 H CA 0.404 56.555 56.048 0.172 0.000 1.470 469 H CB 1.266 31.136 29.762 0.181 0.000 1.483 469 H HN 0.285 nan 8.280 nan 0.000 0.548 470 E N 2.475 122.802 120.200 0.211 0.000 2.465 470 E HA 0.016 4.321 4.350 -0.076 0.000 0.191 470 E C 0.049 176.718 176.600 0.115 0.000 1.053 470 E CA 0.219 56.696 56.400 0.129 0.000 0.869 470 E CB 0.711 30.464 29.700 0.089 0.000 0.977 470 E HN 0.622 nan 8.360 nan 0.000 0.483 471 E N -0.445 119.833 120.200 0.129 0.000 2.449 471 E HA 0.192 4.496 4.350 -0.076 0.000 0.278 471 E C -1.395 175.189 176.600 -0.028 0.000 1.059 471 E CA -0.794 55.649 56.400 0.071 0.000 0.854 471 E CB 1.040 30.815 29.700 0.124 0.000 1.465 471 E HN -0.099 nan 8.360 nan 0.000 0.462 472 L N 2.120 123.247 121.223 -0.160 0.000 2.578 472 L HA 0.152 4.446 4.340 -0.076 0.000 0.279 472 L C -1.002 175.674 176.870 -0.324 0.000 1.227 472 L CA 0.479 55.104 54.840 -0.357 0.000 0.900 472 L CB 0.301 41.861 42.059 -0.833 0.000 1.144 472 L HN 0.382 nan 8.230 nan 0.000 0.496 473 V N 8.023 127.770 119.914 -0.278 0.000 2.339 473 V HA 0.263 4.337 4.120 -0.076 0.000 0.261 473 V C 1.450 177.446 176.094 -0.162 0.000 1.058 473 V CA -0.412 61.720 62.300 -0.280 0.000 0.897 473 V CB 0.417 32.094 31.823 -0.242 0.000 1.052 473 V HN 0.794 nan 8.190 nan 0.000 0.480 474 R N 2.684 123.143 120.500 -0.068 0.000 2.200 474 R HA 0.102 4.396 4.340 -0.076 0.000 0.208 474 R C 0.423 176.773 176.300 0.084 0.000 1.033 474 R CA 0.901 57.038 56.100 0.060 0.000 1.000 474 R CB 0.191 30.659 30.300 0.280 0.000 0.906 474 R HN 0.844 nan 8.270 nan 0.000 0.462 475 C N -2.290 117.054 119.300 0.073 0.000 3.285 475 C HA 0.778 5.193 4.460 -0.076 0.000 0.325 475 C C -0.642 174.417 174.990 0.115 0.000 1.304 475 C CA -1.583 57.498 59.018 0.105 0.000 1.319 475 C CB 1.612 29.449 27.740 0.161 0.000 1.640 475 C HN 0.252 nan 8.230 nan 0.000 0.477 476 I N 0.735 121.392 120.570 0.146 0.000 2.771 476 I HA 0.659 4.784 4.170 -0.076 0.000 0.291 476 I C -1.524 174.742 176.117 0.248 0.000 1.527 476 I CA -0.365 61.049 61.300 0.191 0.000 1.024 476 I CB 1.724 39.810 38.000 0.142 0.000 1.388 476 I HN 0.929 nan 8.210 nan 0.000 0.447 477 R N 6.116 126.837 120.500 0.368 0.000 2.584 477 R HA 0.485 4.780 4.340 -0.076 0.000 0.276 477 R C -0.701 175.956 176.300 0.594 0.000 1.046 477 R CA -0.639 55.700 56.100 0.397 0.000 0.906 477 R CB 1.973 32.456 30.300 0.304 0.000 1.215 477 R HN 0.495 nan 8.270 nan 0.000 0.449 478 F N 1.431 121.489 119.950 0.180 0.000 2.100 478 F HA -0.015 4.467 4.527 -0.075 0.000 0.184 478 F C 1.122 177.033 175.800 0.185 0.000 0.714 478 F CA 0.704 58.807 58.000 0.172 0.000 1.106 478 F CB 0.315 39.361 39.000 0.077 0.000 2.203 478 F HN 0.578 nan 8.300 nan 0.000 0.664 479 D N -0.663 119.991 120.400 0.423 0.000 10.593 479 D HA -0.173 4.422 4.640 -0.076 0.000 0.313 479 D C -0.548 175.878 176.300 0.211 0.000 3.170 479 D CA 0.097 54.225 54.000 0.213 0.000 2.808 479 D CB -0.828 40.070 40.800 0.164 0.000 1.272 479 D HN 0.377 nan 8.370 nan 0.000 0.962 480 N N 0.727 119.516 118.700 0.148 0.000 2.096 480 N HA -0.202 4.492 4.740 -0.076 0.000 0.195 480 N C 1.175 176.755 175.510 0.115 0.000 1.017 480 N CA 2.891 56.013 53.050 0.119 0.000 0.870 480 N CB -0.194 38.355 38.487 0.103 0.000 1.024 480 N HN 0.543 nan 8.380 nan 0.000 0.434 481 K N -1.298 119.190 120.400 0.147 0.000 2.438 481 K HA 0.326 4.601 4.320 -0.076 0.000 0.206 481 K C 0.173 176.843 176.600 0.118 0.000 1.081 481 K CA -0.057 56.303 56.287 0.121 0.000 1.053 481 K CB 1.471 34.044 32.500 0.123 0.000 0.908 481 K HN -0.001 nan 8.250 nan 0.000 0.556 482 R N 0.585 121.193 120.500 0.181 0.000 2.752 482 R HA 0.550 4.845 4.340 -0.076 0.000 0.271 482 R C -1.317 175.140 176.300 0.262 0.000 1.026 482 R CA -0.739 55.460 56.100 0.166 0.000 0.901 482 R CB 1.939 32.284 30.300 0.076 0.000 1.243 482 R HN -0.067 nan 8.270 nan 0.000 0.463 483 I N 1.558 122.258 120.570 0.217 0.000 2.478 483 I HA 0.369 4.493 4.170 -0.076 0.000 0.287 483 I C -0.864 175.418 176.117 0.275 0.000 1.042 483 I CA -0.969 60.494 61.300 0.272 0.000 1.067 483 I CB 2.182 40.248 38.000 0.109 0.000 1.233 483 I HN 0.131 nan 8.210 nan 0.000 0.431 484 V N 5.029 125.086 119.914 0.239 0.000 2.448 484 V HA 0.565 4.639 4.120 -0.076 0.000 0.295 484 V C -0.011 176.227 176.094 0.239 0.000 1.025 484 V CA -0.345 62.006 62.300 0.084 0.000 0.859 484 V CB 1.910 33.542 31.823 -0.319 0.000 0.988 484 V HN 0.888 nan 8.190 nan 0.000 0.431 485 S N 2.936 118.819 115.700 0.306 0.000 2.599 485 S HA 0.940 5.365 4.470 -0.076 0.000 0.294 485 S C -0.292 174.473 174.600 0.275 0.000 1.094 485 S CA -0.532 57.856 58.200 0.313 0.000 0.931 485 S CB 2.239 65.686 63.200 0.411 0.000 1.093 485 S HN 1.106 nan 8.310 nan 0.000 0.488 486 G N -0.251 108.633 108.800 0.140 0.000 2.643 486 G HA2 0.744 4.659 3.960 -0.076 0.000 0.305 486 G HA3 0.744 4.659 3.960 -0.076 0.000 0.305 486 G C -0.549 174.344 174.900 -0.011 0.000 1.387 486 G CA -0.547 44.619 45.100 0.111 0.000 0.982 486 G HN 1.090 nan 8.290 nan 0.000 0.501 487 A N 1.422 124.252 122.820 0.018 0.000 2.468 487 A HA 0.737 5.011 4.320 -0.076 0.000 0.277 487 A C 0.382 178.067 177.584 0.167 0.000 1.203 487 A CA -0.627 51.379 52.037 -0.050 0.000 0.932 487 A CB 0.588 19.569 19.000 -0.031 0.000 1.438 487 A HN 0.610 nan 8.150 nan 0.000 0.468 488 Y N 0.469 120.742 120.300 -0.045 0.000 2.286 488 Y HA -0.057 4.444 4.550 -0.081 0.000 0.293 488 Y C 1.442 177.316 175.900 -0.044 0.000 1.124 488 Y CA 1.717 59.788 58.100 -0.049 0.000 1.178 488 Y CB -0.276 38.166 38.460 -0.031 0.000 1.010 488 Y HN 0.744 nan 8.280 nan 0.000 0.536 489 D N -1.318 119.172 120.400 0.150 0.000 2.395 489 D HA 0.148 4.743 4.640 -0.076 0.000 0.250 489 D C 1.730 178.080 176.300 0.083 0.000 1.203 489 D CA 0.664 54.713 54.000 0.082 0.000 0.872 489 D CB -0.846 40.009 40.800 0.093 0.000 0.941 489 D HN 0.298 nan 8.370 nan 0.000 0.504 490 G N 0.028 108.872 108.800 0.073 0.000 2.186 490 G HA2 -0.385 3.529 3.960 -0.076 0.000 0.266 490 G HA3 -0.385 3.529 3.960 -0.076 0.000 0.266 490 G C 0.196 175.222 174.900 0.209 0.000 0.982 490 G CA 0.426 45.598 45.100 0.120 0.000 0.670 490 G HN 0.502 nan 8.290 nan 0.000 0.533 491 K N -0.323 120.181 120.400 0.174 0.000 2.174 491 K HA 0.662 4.936 4.320 -0.076 0.000 0.275 491 K C 0.128 176.836 176.600 0.180 0.000 1.015 491 K CA -0.483 55.897 56.287 0.155 0.000 0.933 491 K CB 1.376 33.951 32.500 0.124 0.000 1.025 491 K HN 0.221 nan 8.250 nan 0.000 0.463 492 I N 2.702 123.299 120.570 0.045 0.000 2.433 492 I HA 0.253 4.378 4.170 -0.076 0.000 0.292 492 I C -0.413 175.623 176.117 -0.135 0.000 1.001 492 I CA -0.669 60.626 61.300 -0.010 0.000 1.119 492 I CB 1.641 39.498 38.000 -0.239 0.000 1.289 492 I HN 0.359 nan 8.210 nan 0.000 0.438 493 K N 4.986 125.354 120.400 -0.054 0.000 2.259 493 K HA 0.693 4.967 4.320 -0.076 0.000 0.252 493 K C -1.354 175.013 176.600 -0.388 0.000 0.936 493 K CA -0.790 55.280 56.287 -0.362 0.000 0.810 493 K CB 2.754 34.874 32.500 -0.634 0.000 1.143 493 K HN 0.233 nan 8.250 nan 0.000 0.427 494 V N 2.463 121.981 119.914 -0.660 0.000 2.417 494 V HA 0.412 4.486 4.120 -0.076 0.000 0.291 494 V C -1.164 174.576 176.094 -0.590 0.000 1.024 494 V CA -0.894 61.096 62.300 -0.517 0.000 0.861 494 V CB 0.444 31.909 31.823 -0.596 0.000 0.985 494 V HN 0.658 nan 8.190 nan 0.000 0.436 495 W N 1.399 122.578 121.300 -0.203 0.000 2.666 495 W HA 0.468 5.082 4.660 -0.076 0.000 0.334 495 W C 0.037 176.480 176.519 -0.127 0.000 1.051 495 W CA -0.900 56.359 57.345 -0.143 0.000 1.224 495 W CB 0.745 30.148 29.460 -0.095 0.000 1.405 495 W HN 0.442 nan 8.180 nan 0.000 0.513 496 D N 2.997 123.451 120.400 0.089 0.000 2.359 496 D HA -0.018 4.576 4.640 -0.076 0.000 0.250 496 D C 0.839 177.176 176.300 0.061 0.000 1.264 496 D CA 0.028 54.051 54.000 0.037 0.000 0.911 496 D CB 1.018 41.822 40.800 0.005 0.000 1.056 496 D HN 0.420 nan 8.370 nan 0.000 0.499 497 L N 5.334 126.589 121.223 0.053 0.000 1.994 497 L HA -0.187 4.108 4.340 -0.076 0.000 0.208 497 L C 2.041 178.907 176.870 -0.006 0.000 1.071 497 L CA 1.630 56.477 54.840 0.013 0.000 0.745 497 L CB -0.476 41.584 42.059 0.003 0.000 0.892 497 L HN 0.319 nan 8.230 nan 0.000 0.431 498 V N 0.359 120.279 119.914 0.010 0.000 2.469 498 V HA -0.284 3.790 4.120 -0.076 0.000 0.251 498 V C 2.811 178.907 176.094 0.003 0.000 1.064 498 V CA 1.558 63.862 62.300 0.007 0.000 1.066 498 V CB -1.694 30.142 31.823 0.023 0.000 0.667 498 V HN 0.627 nan 8.190 nan 0.000 0.461 499 A N 0.307 123.132 122.820 0.007 0.000 1.855 499 A HA -0.068 4.207 4.320 -0.076 0.000 0.215 499 A C 2.484 180.066 177.584 -0.002 0.000 1.191 499 A CA 1.974 54.013 52.037 0.005 0.000 0.613 499 A CB -0.929 18.076 19.000 0.008 0.000 0.829 499 A HN 0.569 nan 8.150 nan 0.000 0.442 500 A N -0.300 122.520 122.820 -0.000 0.000 1.948 500 A HA -0.107 4.168 4.320 -0.076 0.000 0.220 500 A C 1.998 179.554 177.584 -0.048 0.000 1.177 500 A CA 1.610 53.635 52.037 -0.020 0.000 0.636 500 A CB -0.667 18.318 19.000 -0.024 0.000 0.815 500 A HN 0.483 nan 8.150 nan 0.000 0.449 501 L N -0.629 120.565 121.223 -0.047 0.000 2.622 501 L HA 0.007 4.302 4.340 -0.076 0.000 0.233 501 L C 0.290 177.140 176.870 -0.034 0.000 1.156 501 L CA 0.453 55.262 54.840 -0.051 0.000 0.866 501 L CB -0.370 41.660 42.059 -0.048 0.000 0.980 501 L HN 0.498 nan 8.230 nan 0.000 0.448 502 D N -1.009 119.375 120.400 -0.026 0.000 2.481 502 D HA 0.215 4.810 4.640 -0.076 0.000 0.246 502 D C -1.898 174.389 176.300 -0.022 0.000 1.109 502 D CA -1.935 52.054 54.000 -0.019 0.000 0.845 502 D CB 1.843 42.638 40.800 -0.009 0.000 1.160 502 D HN -0.229 nan 8.370 nan 0.000 0.534 503 P HA -0.059 nan 4.420 nan 0.000 0.226 503 P C 1.195 178.483 177.300 -0.020 0.000 1.153 503 P CA 0.377 63.461 63.100 -0.028 0.000 0.777 503 P CB 0.237 31.919 31.700 -0.029 0.000 0.794 504 R N -0.023 120.468 120.500 -0.014 0.000 2.189 504 R HA 0.069 4.364 4.340 -0.076 0.000 0.223 504 R C 0.999 177.294 176.300 -0.009 0.000 1.092 504 R CA 0.531 56.624 56.100 -0.010 0.000 0.989 504 R CB -0.886 29.410 30.300 -0.006 0.000 0.876 504 R HN 0.149 nan 8.270 nan 0.000 0.457 505 A N 3.240 126.054 122.820 -0.009 0.000 2.409 505 A HA 0.370 4.645 4.320 -0.076 0.000 0.267 505 A C -2.142 175.438 177.584 -0.008 0.000 1.127 505 A CA -1.278 50.755 52.037 -0.007 0.000 0.795 505 A CB 0.193 19.191 19.000 -0.004 0.000 1.061 505 A HN -0.044 nan 8.150 nan 0.000 0.502 506 P HA 0.375 nan 4.420 nan 0.000 0.278 506 P C 0.941 178.241 177.300 -0.000 0.000 1.238 506 P CA 0.139 63.235 63.100 -0.007 0.000 0.794 506 P CB 1.193 32.888 31.700 -0.008 0.000 0.955 507 A N 3.322 126.143 122.820 0.001 0.000 1.881 507 A HA -0.227 4.048 4.320 -0.076 0.000 0.219 507 A C 2.328 179.927 177.584 0.024 0.000 1.215 507 A CA 2.702 54.748 52.037 0.016 0.000 0.648 507 A CB -2.098 16.908 19.000 0.010 0.000 0.832 507 A HN 0.646 nan 8.150 nan 0.000 0.455 508 G N -0.979 107.824 108.800 0.004 0.000 2.476 508 G HA2 -0.145 3.769 3.960 -0.076 0.000 0.218 508 G HA3 -0.145 3.769 3.960 -0.076 0.000 0.218 508 G C 1.178 176.059 174.900 -0.031 0.000 1.164 508 G CA 1.723 46.816 45.100 -0.012 0.000 0.768 508 G HN 1.061 nan 8.290 nan 0.000 0.560 509 T N -0.952 113.586 114.554 -0.027 0.000 3.629 509 T HA 0.651 4.956 4.350 -0.076 0.000 0.317 509 T C 0.810 175.495 174.700 -0.025 0.000 1.690 509 T CA -0.407 61.668 62.100 -0.042 0.000 1.276 509 T CB 0.521 69.367 68.868 -0.036 0.000 1.205 509 T HN 0.099 nan 8.240 nan 0.000 0.824 510 L N 0.199 121.415 121.223 -0.013 0.000 2.902 510 L HA 0.392 4.687 4.340 -0.076 0.000 0.254 510 L C 1.120 177.985 176.870 -0.009 0.000 1.115 510 L CA -0.392 54.478 54.840 0.049 0.000 0.947 510 L CB 0.599 42.755 42.059 0.161 0.000 1.369 510 L HN 0.544 nan 8.230 nan 0.000 0.538 511 C N 2.486 121.665 119.300 -0.201 0.000 2.256 511 C HA 0.444 4.859 4.460 -0.076 0.000 0.333 511 C C 0.655 175.389 174.990 -0.428 0.000 1.183 511 C CA -1.049 57.615 59.018 -0.591 0.000 1.692 511 C CB -1.381 25.840 27.740 -0.865 0.000 2.274 511 C HN 0.160 nan 8.230 nan 0.000 0.509 512 L N 6.192 127.171 121.223 -0.407 0.000 2.452 512 L HA 0.330 4.625 4.340 -0.076 0.000 0.267 512 L C 1.241 177.879 176.870 -0.386 0.000 1.188 512 L CA -0.116 54.526 54.840 -0.329 0.000 0.821 512 L CB 0.260 42.129 42.059 -0.318 0.000 1.102 512 L HN 0.641 nan 8.230 nan 0.000 0.470 513 R N 0.725 121.051 120.500 -0.290 0.000 2.466 513 R HA -0.123 4.171 4.340 -0.076 0.000 0.272 513 R C 0.027 176.139 176.300 -0.314 0.000 0.924 513 R CA 0.685 56.632 56.100 -0.256 0.000 1.107 513 R CB -0.110 30.092 30.300 -0.163 0.000 0.853 513 R HN 0.612 nan 8.270 nan 0.000 0.430 514 T N 3.589 117.988 114.554 -0.259 0.000 2.797 514 T HA 0.501 4.806 4.350 -0.076 0.000 0.279 514 T C -0.286 174.322 174.700 -0.154 0.000 0.991 514 T CA -0.825 61.110 62.100 -0.276 0.000 0.979 514 T CB 0.678 69.367 68.868 -0.300 0.000 0.943 514 T HN 0.349 nan 8.240 nan 0.000 0.444 515 L N 4.880 125.990 121.223 -0.189 0.000 2.296 515 L HA 0.638 4.933 4.340 -0.076 0.000 0.286 515 L C -0.681 176.211 176.870 0.036 0.000 1.023 515 L CA -1.078 53.706 54.840 -0.094 0.000 0.812 515 L CB 2.073 43.813 42.059 -0.532 0.000 1.223 515 L HN 0.491 nan 8.230 nan 0.000 0.421 516 V N 2.145 122.204 119.914 0.241 0.000 2.383 516 V HA 0.302 4.376 4.120 -0.076 0.000 0.264 516 V C 0.012 176.242 176.094 0.227 0.000 1.001 516 V CA -0.376 62.041 62.300 0.194 0.000 0.828 516 V CB 0.782 32.664 31.823 0.098 0.000 1.069 516 V HN 0.748 nan 8.190 nan 0.000 0.451 517 E N 2.126 122.498 120.200 0.287 0.000 3.157 517 E HA 0.306 4.610 4.350 -0.076 0.000 0.203 517 E C -0.722 175.801 176.600 -0.128 0.000 0.982 517 E CA -0.237 56.177 56.400 0.024 0.000 1.217 517 E CB 0.818 30.393 29.700 -0.208 0.000 1.123 517 E HN 0.635 nan 8.360 nan 0.000 0.457 518 H N -0.528 118.619 119.070 0.128 0.000 2.717 518 H HA 0.269 4.781 4.556 -0.073 0.000 0.366 518 H C 0.941 176.286 175.328 0.028 0.000 1.132 518 H CA -0.581 55.507 56.048 0.066 0.000 1.180 518 H CB 2.022 31.827 29.762 0.072 0.000 1.678 518 H HN -0.077 nan 8.280 nan 0.000 0.537 519 S N 1.155 116.953 115.700 0.164 0.000 2.362 519 S HA 0.080 4.504 4.470 -0.076 0.000 0.221 519 S C 1.259 175.869 174.600 0.017 0.000 1.032 519 S CA 0.608 58.851 58.200 0.073 0.000 0.973 519 S CB 0.367 63.605 63.200 0.063 0.000 0.849 519 S HN 0.695 nan 8.310 nan 0.000 0.465 520 G N 0.479 109.264 108.800 -0.026 0.000 3.016 520 G HA2 0.615 4.530 3.960 -0.076 0.000 0.270 520 G HA3 0.615 4.530 3.960 -0.076 0.000 0.270 520 G C -0.856 173.881 174.900 -0.272 0.000 1.352 520 G CA -1.258 43.753 45.100 -0.149 0.000 1.060 520 G HN 0.145 nan 8.290 nan 0.000 0.538 521 R N -1.201 119.020 120.500 -0.465 0.000 2.566 521 R HA 0.167 4.462 4.340 -0.076 0.000 0.273 521 R C -0.241 175.682 176.300 -0.629 0.000 0.981 521 R CA 0.093 55.847 56.100 -0.575 0.000 1.091 521 R CB 0.361 30.122 30.300 -0.899 0.000 0.924 521 R HN 0.130 nan 8.270 nan 0.000 0.411 522 V N 5.787 125.522 119.914 -0.297 0.000 2.368 522 V HA 0.073 4.148 4.120 -0.076 0.000 0.266 522 V C 0.731 176.809 176.094 -0.027 0.000 1.045 522 V CA 0.193 62.373 62.300 -0.199 0.000 0.899 522 V CB 0.471 32.304 31.823 0.016 0.000 1.006 522 V HN 0.736 nan 8.190 nan 0.000 0.470 523 F N 3.108 123.086 119.950 0.047 0.000 2.220 523 F HA 0.266 4.760 4.527 -0.055 0.000 0.290 523 F C 1.435 177.316 175.800 0.136 0.000 1.080 523 F CA 0.239 58.309 58.000 0.118 0.000 1.318 523 F CB 0.468 39.530 39.000 0.103 0.000 1.063 523 F HN 0.352 nan 8.300 nan 0.000 0.498 524 R N 0.286 120.972 120.500 0.311 0.000 2.643 524 R HA 0.542 4.837 4.340 -0.076 0.000 0.269 524 R C -2.086 174.340 176.300 0.211 0.000 1.037 524 R CA -0.744 55.505 56.100 0.248 0.000 0.894 524 R CB 2.065 32.516 30.300 0.252 0.000 1.238 524 R HN 0.024 nan 8.270 nan 0.000 0.459 525 L N 0.284 121.631 121.223 0.208 0.000 2.424 525 L HA 0.746 5.041 4.340 -0.076 0.000 0.258 525 L C -1.533 175.478 176.870 0.235 0.000 0.995 525 L CA -0.698 54.272 54.840 0.216 0.000 0.821 525 L CB 2.145 44.335 42.059 0.218 0.000 1.383 525 L HN 0.663 nan 8.230 nan 0.000 0.410 526 Q N 1.799 121.746 119.800 0.245 0.000 2.271 526 Q HA 0.702 4.997 4.340 -0.076 0.000 0.268 526 Q C -1.751 174.467 176.000 0.364 0.000 1.021 526 Q CA -0.506 55.448 55.803 0.251 0.000 0.802 526 Q CB 1.756 30.615 28.738 0.201 0.000 1.282 526 Q HN 0.728 nan 8.270 nan 0.000 0.431 527 F N 0.840 120.932 119.950 0.236 0.000 2.790 527 F HA 0.989 5.470 4.527 -0.077 0.000 0.386 527 F C -0.616 175.330 175.800 0.244 0.000 1.206 527 F CA -0.586 57.575 58.000 0.269 0.000 1.109 527 F CB 1.035 40.173 39.000 0.231 0.000 1.469 527 F HN 0.647 nan 8.300 nan 0.000 0.513 528 D N -2.407 118.257 120.400 0.440 0.000 3.376 528 D HA 0.142 4.737 4.640 -0.076 0.000 0.344 528 D C 0.450 176.817 176.300 0.112 0.000 1.428 528 D CA -0.400 53.673 54.000 0.123 0.000 0.949 528 D CB -0.183 40.620 40.800 0.004 0.000 1.451 528 D HN 0.354 nan 8.370 nan 0.000 0.578 529 E N -0.482 119.512 120.200 -0.343 0.000 2.171 529 E HA -0.059 4.246 4.350 -0.076 0.000 0.197 529 E C 0.703 176.929 176.600 -0.623 0.000 0.997 529 E CA 1.475 57.499 56.400 -0.626 0.000 0.810 529 E CB -0.321 28.619 29.700 -1.266 0.000 0.738 529 E HN 0.598 nan 8.360 nan 0.000 0.467 530 F N -0.884 119.030 119.950 -0.061 0.000 2.859 530 F HA 0.477 4.958 4.527 -0.076 0.000 0.324 530 F C 0.117 175.645 175.800 -0.453 0.000 1.158 530 F CA -0.779 56.994 58.000 -0.377 0.000 1.147 530 F CB 0.117 38.959 39.000 -0.263 0.000 1.137 530 F HN -0.255 nan 8.300 nan 0.000 0.516 531 Q N 1.424 121.189 119.800 -0.057 0.000 2.327 531 Q HA 0.629 4.924 4.340 -0.076 0.000 0.265 531 Q C -1.552 174.602 176.000 0.255 0.000 0.993 531 Q CA -0.349 55.493 55.803 0.065 0.000 0.885 531 Q CB 2.677 31.563 28.738 0.247 0.000 1.379 531 Q HN 0.321 nan 8.270 nan 0.000 0.408 532 I N 2.849 123.582 120.570 0.271 0.000 2.493 532 I HA 0.664 4.789 4.170 -0.076 0.000 0.298 532 I C -0.516 175.715 176.117 0.190 0.000 0.998 532 I CA -1.289 60.173 61.300 0.271 0.000 1.137 532 I CB 1.859 39.936 38.000 0.130 0.000 1.310 532 I HN 0.396 nan 8.210 nan 0.000 0.445 533 V N 1.873 121.818 119.914 0.051 0.000 2.509 533 V HA 0.683 4.757 4.120 -0.076 0.000 0.289 533 V C -0.380 175.766 176.094 0.085 0.000 1.026 533 V CA -0.331 61.945 62.300 -0.040 0.000 0.872 533 V CB 1.090 32.590 31.823 -0.537 0.000 1.017 533 V HN 0.797 nan 8.190 nan 0.000 0.436 534 S N 3.044 118.878 115.700 0.223 0.000 2.513 534 S HA 0.825 5.250 4.470 -0.076 0.000 0.299 534 S C -0.082 174.654 174.600 0.228 0.000 1.087 534 S CA -0.602 57.759 58.200 0.267 0.000 1.012 534 S CB 1.820 65.270 63.200 0.417 0.000 1.044 534 S HN 0.874 nan 8.310 nan 0.000 0.485 535 S N 1.438 117.235 115.700 0.161 0.000 2.707 535 S HA 0.928 5.353 4.470 -0.076 0.000 0.276 535 S C -0.034 174.507 174.600 -0.099 0.000 1.179 535 S CA -0.344 57.908 58.200 0.087 0.000 0.992 535 S CB 1.017 64.322 63.200 0.174 0.000 1.030 535 S HN 1.370 nan 8.310 nan 0.000 0.554 536 S N -1.033 114.541 115.700 -0.210 0.000 2.627 536 S HA 0.335 4.759 4.470 -0.076 0.000 0.268 536 S C 0.085 174.418 174.600 -0.444 0.000 1.130 536 S CA -0.582 57.305 58.200 -0.523 0.000 0.819 536 S CB 0.422 63.044 63.200 -0.964 0.000 1.100 536 S HN 0.780 nan 8.310 nan 0.000 0.465 537 H N 1.988 120.555 119.070 -0.839 0.000 2.650 537 H HA -0.087 4.422 4.556 -0.079 0.000 0.297 537 H C 0.400 175.597 175.328 -0.219 0.000 1.038 537 H CA 2.958 58.709 56.048 -0.495 0.000 1.103 537 H CB -0.747 28.716 29.762 -0.498 0.000 1.451 537 H HN 0.876 nan 8.280 nan 0.000 0.680 538 D N 2.191 122.557 120.400 -0.056 0.000 4.265 538 D HA -0.155 4.440 4.640 -0.076 0.000 0.234 538 D C -0.474 175.799 176.300 -0.046 0.000 1.386 538 D CA 0.644 54.628 54.000 -0.027 0.000 0.885 538 D CB -0.450 40.370 40.800 0.034 0.000 1.239 538 D HN 0.626 nan 8.370 nan 0.000 0.681 539 D N 2.241 122.613 120.400 -0.047 0.000 2.542 539 D HA -0.043 4.551 4.640 -0.076 0.000 0.242 539 D C -0.321 175.967 176.300 -0.019 0.000 1.207 539 D CA -0.346 53.632 54.000 -0.036 0.000 1.172 539 D CB -0.584 40.197 40.800 -0.031 0.000 1.126 539 D HN 0.314 nan 8.370 nan 0.000 0.500 540 T N -0.631 113.889 114.554 -0.057 0.000 2.876 540 T HA 0.600 4.904 4.350 -0.076 0.000 0.289 540 T C 0.374 175.027 174.700 -0.079 0.000 1.014 540 T CA -1.015 61.015 62.100 -0.117 0.000 0.986 540 T CB 1.432 70.233 68.868 -0.112 0.000 1.021 540 T HN 0.223 nan 8.240 nan 0.000 0.458 541 I N 2.738 123.204 120.570 -0.174 0.000 2.359 541 I HA 0.390 4.515 4.170 -0.076 0.000 0.294 541 I C -0.302 175.746 176.117 -0.114 0.000 0.987 541 I CA -0.967 60.268 61.300 -0.108 0.000 1.225 541 I CB 1.342 39.220 38.000 -0.203 0.000 1.366 541 I HN 0.420 nan 8.210 nan 0.000 0.466 542 L N 7.053 128.291 121.223 0.026 0.000 2.317 542 L HA 0.537 4.832 4.340 -0.076 0.000 0.281 542 L C -0.680 176.166 176.870 -0.041 0.000 1.024 542 L CA -0.720 54.069 54.840 -0.086 0.000 0.810 542 L CB 2.110 44.128 42.059 -0.068 0.000 1.240 542 L HN 0.510 nan 8.230 nan 0.000 0.427 543 I N 2.049 122.515 120.570 -0.175 0.000 2.464 543 I HA 0.204 4.329 4.170 -0.076 0.000 0.277 543 I C -0.958 175.116 176.117 -0.071 0.000 1.040 543 I CA -0.103 61.153 61.300 -0.073 0.000 1.153 543 I CB 0.654 38.596 38.000 -0.097 0.000 1.274 543 I HN 0.392 nan 8.210 nan 0.000 0.469 544 W N 4.628 125.898 121.300 -0.050 0.000 2.313 544 W HA 0.382 4.995 4.660 -0.078 0.000 0.328 544 W C 0.599 177.072 176.519 -0.075 0.000 1.197 544 W CA -0.098 57.238 57.345 -0.015 0.000 1.235 544 W CB 0.398 29.899 29.460 0.068 0.000 1.158 544 W HN 0.296 nan 8.180 nan 0.000 0.578 545 D N 0.000 120.460 120.400 0.099 0.000 6.856 545 D HA 0.000 4.595 4.640 -0.076 0.000 0.175 545 D CA 0.000 53.918 54.000 -0.137 0.000 0.868 545 D CB 0.000 40.755 40.800 -0.075 0.000 0.688 545 D HN 0.000 nan 8.370 nan 0.000 0.683