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 1r5m_1_A DATA FIRST_RESID 146 DATA SEQUENCE GFVKILKEIV KLDNIVSSTW NPLDESILAY GEKNSVARLA RIVETXXXXX DATA SEQUENCE XYWKLTIIAE LRHPFALSXX XXXXTNQVTC LAWSHDGNSI VTGVENGELR DATA SEQUENCE LWNKTGALLN VLNFHRAPIV SVKWNKDGTH IISMDVENVT ILWNVISGTV DATA SEQUENCE MQHFELKXXX XXXXXXXXXX XXGSLGVDVE WVDDDKFVIP GPKGAIFVYQ DATA SEQUENCE ITEKTPTGKL IGHHGPISVL EFNDTNKLLL SASDDGTLRI WHGGNGNSQN DATA SEQUENCE CFYGHSQSIV SASWVGDDKV ISCSMDGSVR LWSLKQNTLL ALSIVDGVPI DATA SEQUENCE FAGRISQDGQ KYAVAFMDGQ VNVYDLKKLN SXXXXXXXXX XXXXXPLPIP DATA SEQUENCE LYASYQSSQD NDYIFDLSWN CAGNKISVAY SLQEGSVVAI PG 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 146 G HA2 0.000 nan 3.960 nan 0.000 0.244 146 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 146 G C 0.000 175.029 174.900 0.215 0.000 0.946 146 G CA 0.000 45.172 45.100 0.121 0.000 0.502 147 F N 1.397 121.346 119.950 -0.003 0.000 2.925 147 F HA 0.510 5.037 4.527 -0.000 0.000 0.347 147 F C -1.954 173.811 175.800 -0.057 0.000 1.187 147 F CA -1.288 56.696 58.000 -0.027 0.000 1.189 147 F CB 0.723 39.706 39.000 -0.027 0.000 1.479 147 F HN 0.015 nan 8.300 nan 0.000 0.645 148 V N 6.518 126.291 119.914 -0.234 0.000 2.370 148 V HA 0.400 4.520 4.120 -0.000 0.000 0.279 148 V C 0.102 175.854 176.094 -0.570 0.000 1.029 148 V CA -0.760 61.283 62.300 -0.427 0.000 0.870 148 V CB 1.546 33.269 31.823 -0.168 0.000 0.984 148 V HN 0.640 nan 8.190 nan 0.000 0.451 149 K N 5.015 124.937 120.400 -0.796 0.000 2.270 149 K HA 0.528 4.848 4.320 -0.000 0.000 0.276 149 K C -0.654 175.821 176.600 -0.208 0.000 1.023 149 K CA -0.211 55.767 56.287 -0.514 0.000 0.955 149 K CB 1.163 33.295 32.500 -0.613 0.000 0.975 149 K HN 0.532 nan 8.250 nan 0.000 0.471 150 I N 4.751 125.288 120.570 -0.056 0.000 2.330 150 I HA 0.151 4.321 4.170 -0.000 0.000 0.286 150 I C -0.066 176.070 176.117 0.032 0.000 1.025 150 I CA -0.640 60.658 61.300 -0.003 0.000 1.197 150 I CB 0.563 38.578 38.000 0.025 0.000 1.358 150 I HN 0.334 nan 8.210 nan 0.000 0.467 151 L N 7.158 128.418 121.223 0.062 0.000 2.456 151 L HA 0.230 4.570 4.340 -0.000 0.000 0.272 151 L C 0.465 177.442 176.870 0.178 0.000 1.189 151 L CA -0.146 54.741 54.840 0.080 0.000 0.846 151 L CB 0.235 42.313 42.059 0.033 0.000 1.111 151 L HN 0.622 nan 8.230 nan 0.000 0.475 152 K N 1.839 122.282 120.400 0.073 0.000 2.203 152 K HA 0.439 4.759 4.320 -0.000 0.000 0.251 152 K C -0.743 175.856 176.600 -0.002 0.000 0.944 152 K CA -0.894 55.454 56.287 0.103 0.000 0.829 152 K CB 2.244 34.788 32.500 0.074 0.000 1.125 152 K HN 0.527 nan 8.250 nan 0.000 0.430 153 E N 3.093 123.342 120.200 0.082 0.000 2.313 153 E HA 0.089 4.438 4.350 -0.000 0.000 0.276 153 E C 0.327 176.891 176.600 -0.060 0.000 1.031 153 E CA -0.494 55.892 56.400 -0.024 0.000 0.857 153 E CB 0.650 30.416 29.700 0.110 0.000 1.040 153 E HN 0.785 nan 8.360 nan 0.000 0.408 154 I N 0.925 121.384 120.570 -0.184 0.000 4.139 154 I HA 0.268 4.438 4.170 -0.000 0.000 0.320 154 I C -0.445 175.622 176.117 -0.084 0.000 1.290 154 I CA -0.388 60.754 61.300 -0.263 0.000 1.253 154 I CB 0.918 38.325 38.000 -0.989 0.000 1.122 154 I HN 0.123 nan 8.210 nan 0.000 0.421 155 V N 2.114 121.990 119.914 -0.064 0.000 2.733 155 V HA 0.324 4.444 4.120 -0.000 0.000 0.306 155 V C -0.681 175.420 176.094 0.013 0.000 1.084 155 V CA -0.739 61.578 62.300 0.029 0.000 0.905 155 V CB 2.175 34.031 31.823 0.055 0.000 1.010 155 V HN 0.219 nan 8.190 nan 0.000 0.424 156 K N 4.990 125.407 120.400 0.027 0.000 2.211 156 K HA 0.732 5.052 4.320 -0.000 0.000 0.275 156 K C -1.161 175.428 176.600 -0.020 0.000 1.024 156 K CA -0.457 55.834 56.287 0.007 0.000 0.887 156 K CB 0.947 33.453 32.500 0.011 0.000 1.084 156 K HN 0.623 nan 8.250 nan 0.000 0.463 157 L N 2.180 123.365 121.223 -0.063 0.000 2.335 157 L HA 0.383 4.722 4.340 -0.000 0.000 0.268 157 L C 0.379 177.174 176.870 -0.126 0.000 1.016 157 L CA -1.248 53.506 54.840 -0.144 0.000 0.805 157 L CB 1.114 42.993 42.059 -0.300 0.000 1.311 157 L HN 0.692 nan 8.230 nan 0.000 0.456 158 D N 0.050 120.356 120.400 -0.157 0.000 2.414 158 D HA 0.025 4.665 4.640 -0.000 0.000 0.251 158 D C -0.075 176.153 176.300 -0.120 0.000 1.252 158 D CA -0.224 53.721 54.000 -0.092 0.000 0.999 158 D CB 0.398 41.175 40.800 -0.039 0.000 1.093 158 D HN 0.433 nan 8.370 nan 0.000 0.515 159 N N 0.652 119.315 118.700 -0.062 0.000 2.458 159 N HA 0.066 4.806 4.740 -0.000 0.000 0.258 159 N C -0.616 174.857 175.510 -0.062 0.000 1.219 159 N CA 0.235 53.259 53.050 -0.043 0.000 0.902 159 N CB 0.371 38.851 38.487 -0.012 0.000 1.076 159 N HN 0.373 nan 8.380 nan 0.000 0.455 160 I N -0.100 120.435 120.570 -0.059 0.000 2.730 160 I HA 0.300 4.470 4.170 -0.000 0.000 0.298 160 I C 0.456 176.588 176.117 0.025 0.000 1.089 160 I CA -1.030 60.244 61.300 -0.042 0.000 1.041 160 I CB 1.857 39.763 38.000 -0.157 0.000 1.235 160 I HN 0.145 nan 8.210 nan 0.000 0.423 161 V N 2.445 122.396 119.914 0.063 0.000 2.500 161 V HA 0.061 4.181 4.120 -0.000 0.000 0.243 161 V C 0.976 177.132 176.094 0.104 0.000 1.039 161 V CA 1.729 64.087 62.300 0.097 0.000 1.053 161 V CB -0.175 31.699 31.823 0.085 0.000 0.695 161 V HN 1.001 nan 8.190 nan 0.000 0.463 162 S N -0.858 114.888 115.700 0.076 0.000 2.636 162 S HA 0.704 5.174 4.470 -0.000 0.000 0.268 162 S C -0.761 173.877 174.600 0.064 0.000 1.159 162 S CA 0.025 58.267 58.200 0.070 0.000 0.815 162 S CB 2.229 65.468 63.200 0.066 0.000 1.130 162 S HN 0.729 nan 8.310 nan 0.000 0.471 163 S N -0.258 115.479 115.700 0.060 0.000 2.588 163 S HA 0.842 5.312 4.470 -0.000 0.000 0.269 163 S C -1.092 173.557 174.600 0.082 0.000 1.157 163 S CA -0.406 57.822 58.200 0.047 0.000 0.824 163 S CB 1.482 64.677 63.200 -0.009 0.000 1.126 163 S HN 1.627 nan 8.310 nan 0.000 0.464 164 T N 0.930 115.537 114.554 0.089 0.000 3.295 164 T HA 0.517 4.867 4.350 -0.000 0.000 0.331 164 T C -1.909 173.024 174.700 0.389 0.000 1.142 164 T CA -0.358 61.903 62.100 0.269 0.000 1.078 164 T CB 0.300 69.348 68.868 0.300 0.000 1.150 164 T HN 0.600 nan 8.240 nan 0.000 0.465 165 W N 3.443 124.926 121.300 0.306 0.000 2.237 165 W HA 0.454 5.114 4.660 -0.000 0.000 0.335 165 W C 1.153 177.620 176.519 -0.087 0.000 1.230 165 W CA -0.431 57.027 57.345 0.189 0.000 1.253 165 W CB 0.481 30.000 29.460 0.097 0.000 1.129 165 W HN 0.562 nan 8.180 nan 0.000 0.590 166 N N 3.901 122.461 118.700 -0.232 0.000 2.454 166 N HA -0.026 4.714 4.740 -0.000 0.000 0.260 166 N C -1.117 174.135 175.510 -0.430 0.000 1.218 166 N CA -0.621 51.797 53.050 -1.053 0.000 0.904 166 N CB 1.259 39.174 38.487 -0.954 0.000 1.065 166 N HN 0.148 nan 8.380 nan 0.000 0.462 167 P HA -0.071 nan 4.420 nan 0.000 0.226 167 P C 0.913 178.139 177.300 -0.123 0.000 1.153 167 P CA 1.082 64.096 63.100 -0.144 0.000 0.777 167 P CB 0.461 32.117 31.700 -0.074 0.000 0.794 168 L N -1.923 119.192 121.223 -0.179 0.000 2.878 168 L HA 0.335 4.675 4.340 -0.000 0.000 0.253 168 L C 0.648 177.456 176.870 -0.104 0.000 1.135 168 L CA 0.039 54.807 54.840 -0.119 0.000 0.943 168 L CB 0.317 42.311 42.059 -0.110 0.000 1.307 168 L HN -0.150 nan 8.230 nan 0.000 0.545 169 D N 1.144 121.465 120.400 -0.131 0.000 2.453 169 D HA 0.060 4.700 4.640 -0.000 0.000 0.238 169 D C 0.881 177.179 176.300 -0.003 0.000 1.088 169 D CA -0.170 53.789 54.000 -0.069 0.000 0.854 169 D CB 1.653 42.401 40.800 -0.087 0.000 1.076 169 D HN 0.307 nan 8.370 nan 0.000 0.533 170 E N 1.355 121.561 120.200 0.010 0.000 2.401 170 E HA -0.168 4.182 4.350 -0.000 0.000 0.199 170 E C 0.887 177.565 176.600 0.130 0.000 1.023 170 E CA 0.928 57.338 56.400 0.018 0.000 0.859 170 E CB 0.098 29.781 29.700 -0.028 0.000 0.780 170 E HN 0.241 nan 8.360 nan 0.000 0.523 171 S N 0.143 115.950 115.700 0.179 0.000 2.535 171 S HA 0.201 4.671 4.470 -0.000 0.000 0.214 171 S C 0.726 175.520 174.600 0.324 0.000 0.980 171 S CA -0.574 57.789 58.200 0.273 0.000 0.907 171 S CB -0.138 63.166 63.200 0.173 0.000 0.790 171 S HN 0.195 nan 8.310 nan 0.000 0.510 172 I N 2.432 123.163 120.570 0.268 0.000 2.336 172 I HA 0.487 4.657 4.170 -0.000 0.000 0.292 172 I C -0.900 175.305 176.117 0.146 0.000 0.991 172 I CA -0.910 60.487 61.300 0.163 0.000 1.227 172 I CB 1.713 39.737 38.000 0.040 0.000 1.366 172 I HN 0.184 nan 8.210 nan 0.000 0.466 173 L N 6.967 128.145 121.223 -0.076 0.000 2.365 173 L HA 0.837 5.177 4.340 -0.000 0.000 0.273 173 L C -0.589 176.235 176.870 -0.077 0.000 1.000 173 L CA -0.233 54.378 54.840 -0.382 0.000 0.819 173 L CB 1.711 43.172 42.059 -0.997 0.000 1.284 173 L HN 0.649 nan 8.230 nan 0.000 0.418 174 A N 4.264 127.092 122.820 0.013 0.000 2.318 174 A HA 0.751 5.071 4.320 -0.000 0.000 0.324 174 A C -1.701 175.823 177.584 -0.100 0.000 1.170 174 A CA -0.363 51.605 52.037 -0.114 0.000 0.810 174 A CB 0.662 19.523 19.000 -0.232 0.000 1.198 174 A HN 0.813 nan 8.150 nan 0.000 0.484 175 Y N -0.025 120.174 120.300 -0.169 0.000 2.492 175 Y HA 0.768 5.318 4.550 -0.000 0.000 0.346 175 Y C 0.127 175.954 175.900 -0.122 0.000 0.997 175 Y CA -1.249 56.768 58.100 -0.139 0.000 1.025 175 Y CB 0.905 39.284 38.460 -0.134 0.000 1.263 175 Y HN 0.781 nan 8.280 nan 0.000 0.454 176 G N 1.984 110.861 108.800 0.128 0.000 2.389 176 G HA2 0.589 4.549 3.960 -0.000 0.000 0.317 176 G HA3 0.589 4.549 3.960 -0.000 0.000 0.317 176 G C -1.134 173.841 174.900 0.125 0.000 1.137 176 G CA -0.796 44.337 45.100 0.055 0.000 0.870 176 G HN 0.741 nan 8.290 nan 0.000 0.496 177 E N 0.336 120.584 120.200 0.080 0.000 2.355 177 E HA 0.286 4.636 4.350 -0.000 0.000 0.261 177 E C 0.361 176.987 176.600 0.043 0.000 0.943 177 E CA -0.901 55.550 56.400 0.086 0.000 0.806 177 E CB 2.379 32.147 29.700 0.112 0.000 1.286 177 E HN 0.380 nan 8.360 nan 0.000 0.424 178 K N 0.324 120.756 120.400 0.053 0.000 2.228 178 K HA -0.032 4.288 4.320 -0.000 0.000 0.202 178 K C 0.837 177.475 176.600 0.063 0.000 1.051 178 K CA 0.518 56.836 56.287 0.052 0.000 0.960 178 K CB -0.051 32.487 32.500 0.063 0.000 0.743 178 K HN 0.194 nan 8.250 nan 0.000 0.458 179 N N 1.349 120.095 118.700 0.076 0.000 3.091 179 N HA -0.020 4.720 4.740 -0.000 0.000 0.301 179 N C -0.772 174.766 175.510 0.047 0.000 1.325 179 N CA 0.104 53.230 53.050 0.127 0.000 1.143 179 N CB -0.215 38.357 38.487 0.141 0.000 1.450 179 N HN -0.040 nan 8.380 nan 0.000 0.542 180 S N -0.626 115.024 115.700 -0.083 0.000 3.614 180 S HA -0.176 4.294 4.470 -0.000 0.000 0.360 180 S C -0.541 174.001 174.600 -0.097 0.000 1.023 180 S CA 0.876 58.930 58.200 -0.244 0.000 1.114 180 S CB -1.273 61.494 63.200 -0.722 0.000 0.907 180 S HN 0.387 nan 8.310 nan 0.000 0.470 181 V N 0.086 119.973 119.914 -0.045 0.000 3.048 181 V HA 0.873 4.993 4.120 -0.000 0.000 0.303 181 V C -0.439 175.613 176.094 -0.070 0.000 1.214 181 V CA 0.100 62.382 62.300 -0.030 0.000 0.984 181 V CB 2.151 33.959 31.823 -0.024 0.000 1.054 181 V HN 0.964 nan 8.190 nan 0.000 0.430 182 A N 5.818 128.542 122.820 -0.160 0.000 2.430 182 A HA 1.022 5.342 4.320 -0.000 0.000 0.300 182 A C -0.715 176.615 177.584 -0.422 0.000 1.124 182 A CA -0.881 51.002 52.037 -0.257 0.000 0.766 182 A CB 2.021 20.858 19.000 -0.273 0.000 1.328 182 A HN 0.860 nan 8.150 nan 0.000 0.424 183 R N -0.207 119.905 120.500 -0.647 0.000 2.771 183 R HA 0.607 4.947 4.340 -0.000 0.000 0.274 183 R C -1.624 174.245 176.300 -0.717 0.000 0.987 183 R CA -0.675 55.001 56.100 -0.707 0.000 0.908 183 R CB 2.044 31.881 30.300 -0.771 0.000 1.213 183 R HN 0.622 nan 8.270 nan 0.000 0.468 184 L N 1.769 122.724 121.223 -0.447 0.000 2.307 184 L HA 0.764 5.104 4.340 -0.000 0.000 0.284 184 L C -0.317 176.450 176.870 -0.173 0.000 1.023 184 L CA -0.652 54.034 54.840 -0.256 0.000 0.810 184 L CB 1.793 43.772 42.059 -0.134 0.000 1.231 184 L HN 0.709 nan 8.230 nan 0.000 0.423 185 A N 3.741 126.506 122.820 -0.091 0.000 2.515 185 A HA 0.820 5.140 4.320 -0.000 0.000 0.296 185 A C -1.128 176.482 177.584 0.045 0.000 1.094 185 A CA -0.715 51.320 52.037 -0.003 0.000 0.718 185 A CB 2.079 21.123 19.000 0.073 0.000 1.307 185 A HN 0.746 nan 8.150 nan 0.000 0.408 186 R N 0.884 121.431 120.500 0.078 0.000 2.562 186 R HA 0.744 5.084 4.340 -0.000 0.000 0.298 186 R C -1.730 174.663 176.300 0.155 0.000 0.961 186 R CA -0.457 55.712 56.100 0.115 0.000 0.881 186 R CB 1.017 31.374 30.300 0.095 0.000 1.159 186 R HN 0.646 nan 8.270 nan 0.000 0.450 187 I N 6.225 126.928 120.570 0.221 0.000 2.411 187 I HA 0.310 4.480 4.170 -0.000 0.000 0.284 187 I C -0.700 175.604 176.117 0.312 0.000 1.012 187 I CA -0.947 60.523 61.300 0.283 0.000 1.119 187 I CB 1.779 39.984 38.000 0.342 0.000 1.261 187 I HN 0.406 nan 8.210 nan 0.000 0.448 188 V N 2.873 122.946 119.914 0.265 0.000 2.876 188 V HA 0.630 4.750 4.120 -0.000 0.000 0.312 188 V C -0.495 175.632 176.094 0.054 0.000 1.085 188 V CA -0.771 61.637 62.300 0.179 0.000 0.945 188 V CB 1.901 33.765 31.823 0.068 0.000 1.017 188 V HN 0.800 nan 8.190 nan 0.000 0.428 189 E N 1.959 122.049 120.200 -0.184 0.000 2.266 189 E HA 0.645 4.995 4.350 -0.000 0.000 0.277 189 E C -0.481 175.812 176.600 -0.511 0.000 1.018 189 E CA -0.579 55.418 56.400 -0.671 0.000 0.840 189 E CB 1.678 30.624 29.700 -1.256 0.000 1.082 189 E HN 0.695 nan 8.360 nan 0.000 0.395 198 W N 2.032 123.540 121.300 0.347 0.000 2.587 198 W HA 0.718 5.378 4.660 -0.000 0.000 0.324 198 W C -0.557 176.163 176.519 0.334 0.000 1.040 198 W CA -0.727 56.730 57.345 0.187 0.000 1.222 198 W CB 1.994 31.548 29.460 0.156 0.000 1.381 198 W HN 0.493 nan 8.180 nan 0.000 0.483 199 K N 3.489 124.095 120.400 0.344 0.000 2.274 199 K HA 0.582 4.902 4.320 -0.000 0.000 0.262 199 K C -1.516 175.237 176.600 0.255 0.000 0.961 199 K CA -0.914 55.568 56.287 0.325 0.000 0.833 199 K CB 1.249 33.861 32.500 0.185 0.000 1.102 199 K HN 0.559 nan 8.250 nan 0.000 0.436 200 L N 3.645 125.001 121.223 0.222 0.000 2.287 200 L HA 0.447 4.787 4.340 -0.000 0.000 0.287 200 L C -1.269 175.681 176.870 0.133 0.000 1.022 200 L CA 0.353 55.296 54.840 0.171 0.000 0.814 200 L CB 1.719 43.868 42.059 0.149 0.000 1.217 200 L HN 0.601 nan 8.230 nan 0.000 0.420 201 T N 6.288 120.911 114.554 0.115 0.000 2.841 201 T HA 0.520 4.870 4.350 -0.000 0.000 0.285 201 T C -0.302 174.437 174.700 0.065 0.000 0.991 201 T CA -0.400 61.751 62.100 0.085 0.000 0.966 201 T CB 1.169 70.082 68.868 0.075 0.000 0.962 201 T HN 0.308 nan 8.240 nan 0.000 0.438 202 I N 4.242 124.840 120.570 0.047 0.000 2.396 202 I HA 0.208 4.378 4.170 -0.000 0.000 0.289 202 I C 1.357 177.470 176.117 -0.006 0.000 1.056 202 I CA -0.149 61.158 61.300 0.011 0.000 1.365 202 I CB 0.464 38.465 38.000 0.002 0.000 1.407 202 I HN 0.739 nan 8.210 nan 0.000 0.509 203 I N 4.656 125.211 120.570 -0.025 0.000 2.480 203 I HA 0.066 4.235 4.170 -0.000 0.000 0.251 203 I C 0.955 177.046 176.117 -0.044 0.000 1.124 203 I CA 0.665 61.954 61.300 -0.017 0.000 1.444 203 I CB 0.193 38.193 38.000 0.000 0.000 1.098 203 I HN 0.734 nan 8.210 nan 0.000 0.428 204 A N 0.320 123.081 122.820 -0.098 0.000 2.583 204 A HA 0.504 4.824 4.320 -0.000 0.000 0.292 204 A C -1.309 176.143 177.584 -0.220 0.000 1.045 204 A CA -0.672 51.287 52.037 -0.131 0.000 0.672 204 A CB 0.882 19.809 19.000 -0.122 0.000 1.283 204 A HN 0.093 nan 8.150 nan 0.000 0.419 205 E N 0.721 120.793 120.200 -0.214 0.000 2.166 205 E HA 0.543 4.893 4.350 -0.000 0.000 0.275 205 E C -1.187 175.156 176.600 -0.429 0.000 0.941 205 E CA -0.483 55.760 56.400 -0.263 0.000 0.784 205 E CB 1.707 31.321 29.700 -0.143 0.000 1.115 205 E HN 0.471 nan 8.360 nan 0.000 0.399 206 L N 3.708 124.555 121.223 -0.627 0.000 2.371 206 L HA 0.439 4.779 4.340 -0.000 0.000 0.262 206 L C 0.122 176.712 176.870 -0.466 0.000 1.054 206 L CA -0.438 53.683 54.840 -1.198 0.000 0.924 206 L CB 0.399 41.468 42.059 -1.650 0.000 1.295 206 L HN 0.284 nan 8.230 nan 0.000 0.441 207 R N 1.505 121.920 120.500 -0.141 0.000 2.428 207 R HA 0.415 4.755 4.340 -0.000 0.000 0.294 207 R C -0.678 175.711 176.300 0.147 0.000 1.000 207 R CA -0.530 55.604 56.100 0.057 0.000 0.960 207 R CB 0.992 31.316 30.300 0.040 0.000 1.076 207 R HN 0.476 nan 8.270 nan 0.000 0.475 208 H N 4.211 123.290 119.070 0.015 0.000 2.466 208 H HA 0.296 4.852 4.556 -0.000 0.000 0.338 208 H C -2.043 173.212 175.328 -0.121 0.000 1.091 208 H CA -1.879 54.157 56.048 -0.020 0.000 1.207 208 H CB 2.006 31.724 29.762 -0.073 0.000 1.466 208 H HN 0.483 nan 8.280 nan 0.000 0.493 209 P HA 0.067 nan 4.420 nan 0.000 0.274 209 P C -0.476 176.807 177.300 -0.028 0.000 1.237 209 P CA -0.210 62.913 63.100 0.038 0.000 0.793 209 P CB 0.841 32.581 31.700 0.066 0.000 0.977 210 F N 0.287 120.274 119.950 0.061 0.000 2.389 210 F HA 0.357 4.884 4.527 -0.000 0.000 0.337 210 F C 1.441 177.264 175.800 0.039 0.000 1.112 210 F CA -0.116 57.912 58.000 0.047 0.000 1.192 210 F CB 0.294 39.314 39.000 0.034 0.000 1.185 210 F HN 0.329 nan 8.300 nan 0.000 0.552 211 A N 2.892 125.827 122.820 0.191 0.000 2.483 211 A HA 0.134 4.454 4.320 -0.000 0.000 0.238 211 A C 1.150 178.800 177.584 0.109 0.000 1.070 211 A CA -0.450 51.657 52.037 0.116 0.000 0.770 211 A CB 0.101 19.151 19.000 0.083 0.000 1.008 211 A HN 0.943 nan 8.150 nan 0.000 0.497 212 L N 2.712 123.978 121.223 0.071 0.000 2.083 212 L HA -0.001 4.338 4.340 -0.000 0.000 0.209 212 L C 1.279 178.175 176.870 0.044 0.000 1.083 212 L CA 2.520 57.392 54.840 0.053 0.000 0.752 212 L CB -0.788 41.293 42.059 0.036 0.000 0.899 212 L HN 1.385 nan 8.230 nan 0.000 0.433 221 N N 3.085 121.872 118.700 0.144 0.000 2.726 221 N HA 0.310 5.050 4.740 -0.000 0.000 0.253 221 N C -0.545 174.914 175.510 -0.085 0.000 1.530 221 N CA -0.332 52.707 53.050 -0.018 0.000 0.772 221 N CB 0.845 39.229 38.487 -0.171 0.000 1.220 221 N HN 0.614 nan 8.380 nan 0.000 0.508 222 Q N -0.195 119.582 119.800 -0.039 0.000 2.368 222 Q HA 0.316 4.656 4.340 -0.000 0.000 0.237 222 Q C -0.130 175.808 176.000 -0.102 0.000 0.987 222 Q CA -0.601 55.176 55.803 -0.043 0.000 0.896 222 Q CB 1.645 30.386 28.738 0.004 0.000 1.241 222 Q HN 0.113 nan 8.270 nan 0.000 0.485 223 V N 1.921 121.776 119.914 -0.098 0.000 2.470 223 V HA 0.010 4.130 4.120 -0.000 0.000 0.276 223 V C 1.140 177.188 176.094 -0.076 0.000 1.040 223 V CA 0.630 62.849 62.300 -0.134 0.000 1.008 223 V CB 0.830 32.590 31.823 -0.106 0.000 0.990 223 V HN 1.048 nan 8.190 nan 0.000 0.477 224 T N -0.061 114.439 114.554 -0.089 0.000 3.023 224 T HA 0.209 4.559 4.350 -0.000 0.000 0.253 224 T C 0.212 174.886 174.700 -0.044 0.000 1.038 224 T CA -0.086 61.981 62.100 -0.055 0.000 0.962 224 T CB 0.140 68.969 68.868 -0.066 0.000 1.018 224 T HN 0.588 nan 8.240 nan 0.000 0.521 225 C N 0.831 120.101 119.300 -0.050 0.000 3.181 225 C HA 0.758 5.218 4.460 -0.000 0.000 0.362 225 C C -2.279 172.696 174.990 -0.024 0.000 1.125 225 C CA -1.000 58.002 59.018 -0.026 0.000 1.265 225 C CB 0.580 28.300 27.740 -0.033 0.000 1.632 225 C HN 0.540 nan 8.230 nan 0.000 0.525 226 L N 4.448 125.666 121.223 -0.009 0.000 2.431 226 L HA 0.890 5.230 4.340 -0.000 0.000 0.266 226 L C -0.134 176.740 176.870 0.008 0.000 0.978 226 L CA -0.133 54.681 54.840 -0.044 0.000 0.822 226 L CB 1.939 43.932 42.059 -0.110 0.000 1.310 226 L HN 0.939 nan 8.230 nan 0.000 0.409 227 A N 1.815 124.650 122.820 0.025 0.000 2.476 227 A HA 0.634 4.954 4.320 -0.000 0.000 0.280 227 A C -1.783 175.950 177.584 0.250 0.000 1.081 227 A CA -0.480 51.669 52.037 0.186 0.000 0.753 227 A CB 0.383 19.560 19.000 0.296 0.000 1.248 227 A HN 0.615 nan 8.150 nan 0.000 0.424 228 W N 2.248 123.614 121.300 0.111 0.000 2.202 228 W HA 0.437 5.097 4.660 -0.000 0.000 0.332 228 W C 1.193 177.395 176.519 -0.529 0.000 1.263 228 W CA 0.573 57.864 57.345 -0.089 0.000 1.223 228 W CB 1.197 30.608 29.460 -0.082 0.000 1.128 228 W HN 0.821 nan 8.180 nan 0.000 0.573 229 S N 1.012 116.271 115.700 -0.734 0.000 2.600 229 S HA 0.044 4.514 4.470 -0.000 0.000 0.265 229 S C 0.952 175.175 174.600 -0.628 0.000 1.325 229 S CA -0.447 56.799 58.200 -1.589 0.000 1.002 229 S CB 0.686 62.876 63.200 -1.683 0.000 0.921 229 S HN 0.560 nan 8.310 nan 0.000 0.554 230 H N 1.603 120.465 119.070 -0.347 0.000 2.457 230 H HA -0.090 4.465 4.556 -0.000 0.000 0.297 230 H C 1.624 176.872 175.328 -0.132 0.000 1.092 230 H CA 1.901 57.868 56.048 -0.135 0.000 1.309 230 H CB -0.273 29.453 29.762 -0.059 0.000 1.382 230 H HN 0.860 nan 8.280 nan 0.000 0.535 231 D N -0.775 119.584 120.400 -0.069 0.000 2.347 231 D HA -0.007 4.633 4.640 -0.000 0.000 0.213 231 D C 1.503 177.740 176.300 -0.105 0.000 0.985 231 D CA 0.859 54.817 54.000 -0.070 0.000 0.879 231 D CB 0.001 40.759 40.800 -0.069 0.000 0.919 231 D HN 0.375 nan 8.370 nan 0.000 0.526 232 G N 1.472 110.187 108.800 -0.142 0.000 2.162 232 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 232 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 232 G C 0.898 175.761 174.900 -0.063 0.000 0.976 232 G CA 0.360 45.349 45.100 -0.184 0.000 0.655 232 G HN 0.340 nan 8.290 nan 0.000 0.533 233 N N -0.015 118.676 118.700 -0.014 0.000 2.392 233 N HA 0.136 4.876 4.740 -0.000 0.000 0.177 233 N C 0.559 176.154 175.510 0.141 0.000 1.066 233 N CA 1.055 54.138 53.050 0.056 0.000 0.895 233 N CB 0.368 38.862 38.487 0.011 0.000 0.988 233 N HN 0.446 nan 8.380 nan 0.000 0.457 234 S N 0.099 115.864 115.700 0.109 0.000 2.599 234 S HA 0.638 5.108 4.470 -0.000 0.000 0.287 234 S C -0.696 174.005 174.600 0.169 0.000 1.105 234 S CA -0.642 57.642 58.200 0.139 0.000 0.899 234 S CB 2.733 65.988 63.200 0.091 0.000 1.100 234 S HN 0.103 nan 8.310 nan 0.000 0.482 235 I N 1.266 121.944 120.570 0.178 0.000 2.752 235 I HA 0.584 4.753 4.170 -0.000 0.000 0.295 235 I C -1.775 174.490 176.117 0.248 0.000 1.219 235 I CA -0.732 60.587 61.300 0.031 0.000 1.030 235 I CB 1.594 39.165 38.000 -0.715 0.000 1.259 235 I HN 0.422 nan 8.210 nan 0.000 0.423 236 V N 4.980 125.045 119.914 0.253 0.000 2.483 236 V HA 0.595 4.715 4.120 -0.000 0.000 0.295 236 V C -0.047 176.118 176.094 0.118 0.000 1.035 236 V CA -0.314 62.082 62.300 0.160 0.000 0.896 236 V CB 1.962 33.791 31.823 0.011 0.000 0.986 236 V HN 0.820 nan 8.190 nan 0.000 0.447 237 T N 1.128 115.809 114.554 0.212 0.000 2.863 237 T HA 0.823 5.173 4.350 -0.000 0.000 0.285 237 T C -0.149 174.646 174.700 0.158 0.000 1.009 237 T CA -0.573 61.643 62.100 0.193 0.000 0.989 237 T CB 1.833 70.911 68.868 0.351 0.000 1.004 237 T HN 0.966 nan 8.240 nan 0.000 0.455 238 G N 1.088 109.880 108.800 -0.013 0.000 2.524 238 G HA2 0.695 4.655 3.960 -0.000 0.000 0.310 238 G HA3 0.695 4.655 3.960 -0.000 0.000 0.310 238 G C -0.509 174.249 174.900 -0.236 0.000 1.279 238 G CA -0.736 44.307 45.100 -0.096 0.000 0.974 238 G HN 1.295 nan 8.290 nan 0.000 0.484 239 V N -0.753 118.985 119.914 -0.294 0.000 3.166 239 V HA 0.576 4.696 4.120 -0.000 0.000 0.317 239 V C 1.074 177.074 176.094 -0.156 0.000 1.136 239 V CA -0.748 61.374 62.300 -0.297 0.000 1.035 239 V CB 1.804 33.356 31.823 -0.452 0.000 1.110 239 V HN 0.783 nan 8.190 nan 0.000 0.450 240 E N 1.387 121.514 120.200 -0.122 0.000 2.130 240 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 240 E C 1.543 178.117 176.600 -0.043 0.000 0.998 240 E CA 1.983 58.343 56.400 -0.066 0.000 0.806 240 E CB -0.196 29.481 29.700 -0.038 0.000 0.738 240 E HN 0.983 nan 8.360 nan 0.000 0.459 241 N N -0.552 118.122 118.700 -0.043 0.000 2.521 241 N HA -0.029 4.711 4.740 -0.000 0.000 0.188 241 N C 1.151 176.668 175.510 0.011 0.000 1.146 241 N CA 1.136 54.181 53.050 -0.009 0.000 0.893 241 N CB 0.576 39.066 38.487 0.004 0.000 0.975 241 N HN 0.190 nan 8.380 nan 0.000 0.451 242 G N -0.765 108.037 108.800 0.004 0.000 2.238 242 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 242 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 242 G C -0.248 174.720 174.900 0.114 0.000 0.996 242 G CA 0.067 45.207 45.100 0.067 0.000 0.632 242 G HN 0.612 nan 8.290 nan 0.000 0.503 243 E N 0.596 120.842 120.200 0.077 0.000 2.392 243 E HA 0.492 4.842 4.350 -0.000 0.000 0.264 243 E C -0.033 176.634 176.600 0.111 0.000 1.024 243 E CA -0.183 56.286 56.400 0.114 0.000 0.903 243 E CB 0.246 30.031 29.700 0.142 0.000 0.963 243 E HN 0.387 nan 8.360 nan 0.000 0.432 244 L N 4.341 125.600 121.223 0.061 0.000 2.362 244 L HA 0.575 4.915 4.340 -0.000 0.000 0.271 244 L C -0.015 176.798 176.870 -0.096 0.000 1.002 244 L CA -0.772 54.063 54.840 -0.008 0.000 0.818 244 L CB 1.907 43.840 42.059 -0.210 0.000 1.298 244 L HN 0.508 nan 8.230 nan 0.000 0.420 245 R N 2.058 122.518 120.500 -0.066 0.000 2.686 245 R HA 0.640 4.980 4.340 -0.000 0.000 0.283 245 R C -1.569 174.448 176.300 -0.471 0.000 0.978 245 R CA -0.972 54.875 56.100 -0.421 0.000 0.897 245 R CB 2.800 32.688 30.300 -0.686 0.000 1.192 245 R HN 0.307 nan 8.270 nan 0.000 0.457 246 L N 2.779 123.603 121.223 -0.665 0.000 2.307 246 L HA 0.593 4.933 4.340 -0.000 0.000 0.284 246 L C -1.752 174.793 176.870 -0.542 0.000 1.023 246 L CA -0.205 54.400 54.840 -0.393 0.000 0.810 246 L CB 0.864 42.775 42.059 -0.246 0.000 1.231 246 L HN 0.540 nan 8.230 nan 0.000 0.423 247 W N 3.441 124.717 121.300 -0.039 0.000 2.962 247 W HA 0.489 5.149 4.660 -0.000 0.000 0.341 247 W C -0.091 176.429 176.519 0.000 0.000 1.155 247 W CA -0.621 56.697 57.345 -0.046 0.000 1.165 247 W CB 0.835 30.238 29.460 -0.095 0.000 1.435 247 W HN 0.541 nan 8.180 nan 0.000 0.546 248 N N 1.496 120.350 118.700 0.256 0.000 2.493 248 N HA 0.078 4.818 4.740 -0.000 0.000 0.275 248 N C 1.077 176.712 175.510 0.208 0.000 1.186 248 N CA -0.152 53.010 53.050 0.187 0.000 0.978 248 N CB 1.268 39.834 38.487 0.130 0.000 1.184 248 N HN 0.724 nan 8.380 nan 0.000 0.487 249 K N -0.397 120.145 120.400 0.235 0.000 2.360 249 K HA -0.102 4.218 4.320 -0.000 0.000 0.201 249 K C 1.307 178.019 176.600 0.188 0.000 1.046 249 K CA 1.713 58.188 56.287 0.313 0.000 0.940 249 K CB -0.333 32.334 32.500 0.278 0.000 0.748 249 K HN 0.616 nan 8.250 nan 0.000 0.465 250 T N -4.126 110.504 114.554 0.126 0.000 3.081 250 T HA 0.324 4.674 4.350 -0.000 0.000 0.250 250 T C 1.426 176.163 174.700 0.062 0.000 1.100 250 T CA 0.211 62.360 62.100 0.082 0.000 1.038 250 T CB 0.501 69.408 68.868 0.066 0.000 0.962 250 T HN 0.481 nan 8.240 nan 0.000 0.516 251 G N 1.125 109.974 108.800 0.081 0.000 2.253 251 G HA2 0.019 3.979 3.960 -0.000 0.000 0.209 251 G HA3 0.019 3.979 3.960 -0.000 0.000 0.209 251 G C 0.381 175.405 174.900 0.207 0.000 0.997 251 G CA -0.244 44.891 45.100 0.059 0.000 0.640 251 G HN 1.109 nan 8.290 nan 0.000 0.496 252 A N 0.762 123.691 122.820 0.181 0.000 2.546 252 A HA 0.563 4.883 4.320 -0.000 0.000 0.243 252 A C 0.514 178.234 177.584 0.225 0.000 1.063 252 A CA 0.504 52.648 52.037 0.177 0.000 0.757 252 A CB 0.421 19.478 19.000 0.095 0.000 0.991 252 A HN 1.590 nan 8.150 nan 0.000 0.503 253 L N 3.084 124.391 121.223 0.140 0.000 2.410 253 L HA 0.286 4.626 4.340 -0.000 0.000 0.273 253 L C 0.622 177.374 176.870 -0.198 0.000 1.144 253 L CA 0.453 55.165 54.840 -0.212 0.000 0.863 253 L CB 0.326 42.161 42.059 -0.373 0.000 1.140 253 L HN 0.738 nan 8.230 nan 0.000 0.463 254 L N 3.585 124.646 121.223 -0.270 0.000 2.388 254 L HA 0.368 4.708 4.340 -0.000 0.000 0.209 254 L C 0.315 177.061 176.870 -0.208 0.000 1.061 254 L CA 0.045 54.784 54.840 -0.169 0.000 0.834 254 L CB -0.006 41.997 42.059 -0.093 0.000 1.029 254 L HN 0.678 nan 8.230 nan 0.000 0.473 255 N N -1.318 117.191 118.700 -0.318 0.000 3.043 255 N HA 0.302 5.042 4.740 -0.000 0.000 0.243 255 N C -1.704 173.581 175.510 -0.374 0.000 1.347 255 N CA -0.235 52.647 53.050 -0.281 0.000 0.896 255 N CB 2.608 40.961 38.487 -0.222 0.000 1.501 255 N HN -0.329 nan 8.380 nan 0.000 0.504 256 V N 2.359 122.097 119.914 -0.294 0.000 2.409 256 V HA 0.519 4.639 4.120 -0.000 0.000 0.291 256 V C -0.670 175.278 176.094 -0.243 0.000 1.020 256 V CA -0.594 61.532 62.300 -0.289 0.000 0.848 256 V CB 1.269 32.962 31.823 -0.216 0.000 0.990 256 V HN 0.432 nan 8.190 nan 0.000 0.430 257 L N 4.834 125.852 121.223 -0.342 0.000 2.335 257 L HA 0.495 4.835 4.340 -0.000 0.000 0.268 257 L C -0.113 176.651 176.870 -0.177 0.000 1.037 257 L CA -0.017 54.517 54.840 -0.510 0.000 0.895 257 L CB 0.679 41.948 42.059 -1.316 0.000 1.266 257 L HN 0.579 nan 8.230 nan 0.000 0.439 258 N N 1.686 120.475 118.700 0.148 0.000 2.476 258 N HA 0.437 5.177 4.740 -0.000 0.000 0.257 258 N C -0.185 175.598 175.510 0.454 0.000 0.970 258 N CA -0.105 53.099 53.050 0.258 0.000 0.938 258 N CB 0.895 39.460 38.487 0.129 0.000 1.144 258 N HN 0.358 nan 8.380 nan 0.000 0.500 259 F N 1.619 121.730 119.950 0.268 0.000 2.495 259 F HA 0.286 4.813 4.527 -0.000 0.000 0.326 259 F C 0.310 176.108 175.800 -0.004 0.000 0.815 259 F CA 0.032 58.075 58.000 0.071 0.000 1.045 259 F CB 0.055 39.002 39.000 -0.088 0.000 0.946 259 F HN 0.421 nan 8.300 nan 0.000 0.683 260 H N 2.333 121.525 119.070 0.203 0.000 2.852 260 H HA 0.341 4.897 4.556 -0.000 0.000 0.362 260 H C 0.397 175.706 175.328 -0.032 0.000 1.122 260 H CA 0.642 56.725 56.048 0.058 0.000 1.419 260 H CB 0.778 30.617 29.762 0.128 0.000 1.401 260 H HN 0.164 nan 8.280 nan 0.000 0.609 261 R N 0.716 121.254 120.500 0.063 0.000 2.629 261 R HA 0.435 4.775 4.340 -0.000 0.000 0.408 261 R C -0.548 175.761 176.300 0.016 0.000 1.057 261 R CA -0.196 55.905 56.100 0.003 0.000 1.119 261 R CB 0.956 31.214 30.300 -0.070 0.000 1.403 261 R HN 0.531 nan 8.270 nan 0.000 0.576 262 A N 1.198 124.043 122.820 0.043 0.000 2.566 262 A HA 0.636 4.956 4.320 -0.000 0.000 0.292 262 A C -2.819 174.755 177.584 -0.016 0.000 1.112 262 A CA -1.826 50.217 52.037 0.010 0.000 0.707 262 A CB 1.481 20.488 19.000 0.012 0.000 1.302 262 A HN -0.159 nan 8.150 nan 0.000 0.409 263 P HA 0.088 nan 4.420 nan 0.000 0.262 263 P C -0.437 176.804 177.300 -0.099 0.000 1.182 263 P CA 0.258 63.321 63.100 -0.063 0.000 0.761 263 P CB 0.104 31.772 31.700 -0.053 0.000 0.795 264 I N 4.333 124.828 120.570 -0.126 0.000 2.471 264 I HA -0.027 4.143 4.170 -0.000 0.000 0.286 264 I C 1.611 177.661 176.117 -0.112 0.000 1.079 264 I CA 0.222 61.420 61.300 -0.171 0.000 1.398 264 I CB 0.771 38.673 38.000 -0.164 0.000 1.403 264 I HN 0.261 nan 8.210 nan 0.000 0.530 265 V N 2.660 122.512 119.914 -0.104 0.000 3.212 265 V HA 0.303 4.422 4.120 -0.000 0.000 0.244 265 V C 0.664 176.737 176.094 -0.035 0.000 1.151 265 V CA 0.238 62.500 62.300 -0.064 0.000 1.119 265 V CB 0.765 32.553 31.823 -0.059 0.000 0.838 265 V HN 0.673 nan 8.190 nan 0.000 0.470 266 S N -0.730 114.950 115.700 -0.034 0.000 2.536 266 S HA 0.782 5.252 4.470 -0.000 0.000 0.271 266 S C -1.437 173.171 174.600 0.015 0.000 1.134 266 S CA -0.324 57.881 58.200 0.008 0.000 0.897 266 S CB 2.115 65.328 63.200 0.021 0.000 1.094 266 S HN 0.401 nan 8.310 nan 0.000 0.473 267 V N 5.239 125.185 119.914 0.053 0.000 2.612 267 V HA 0.600 4.720 4.120 -0.000 0.000 0.301 267 V C -1.158 175.017 176.094 0.136 0.000 1.059 267 V CA -0.804 61.528 62.300 0.053 0.000 0.886 267 V CB 2.091 33.917 31.823 0.005 0.000 1.007 267 V HN 0.756 nan 8.190 nan 0.000 0.426 268 K N 3.224 123.733 120.400 0.181 0.000 2.397 268 K HA 0.478 4.798 4.320 -0.000 0.000 0.253 268 K C -1.323 175.579 176.600 0.503 0.000 0.932 268 K CA -0.397 56.115 56.287 0.375 0.000 0.795 268 K CB 2.513 35.267 32.500 0.423 0.000 1.159 268 K HN 0.563 nan 8.250 nan 0.000 0.424 269 W N 2.787 124.240 121.300 0.255 0.000 2.381 269 W HA 0.214 4.874 4.660 0.000 0.000 0.329 269 W C 1.228 177.642 176.519 -0.175 0.000 1.157 269 W CA -0.216 57.178 57.345 0.081 0.000 1.240 269 W CB 0.623 30.034 29.460 -0.083 0.000 1.199 269 W HN 0.544 nan 8.180 nan 0.000 0.579 270 N N 1.560 120.010 118.700 -0.416 0.000 2.379 270 N HA 0.107 4.847 4.740 -0.000 0.000 0.260 270 N C 1.008 176.429 175.510 -0.148 0.000 1.254 270 N CA -0.316 52.135 53.050 -0.999 0.000 0.958 270 N CB 0.514 37.981 38.487 -1.701 0.000 1.208 270 N HN 0.350 nan 8.380 nan 0.000 0.532 271 K N 0.040 120.339 120.400 -0.168 0.000 2.015 271 K HA -0.240 4.080 4.320 -0.000 0.000 0.216 271 K C 0.662 177.272 176.600 0.016 0.000 1.052 271 K CA 2.545 58.796 56.287 -0.060 0.000 0.937 271 K CB -0.794 31.666 32.500 -0.067 0.000 0.719 271 K HN 0.835 nan 8.250 nan 0.000 0.446 272 D N -2.016 118.392 120.400 0.012 0.000 2.328 272 D HA 0.144 4.784 4.640 -0.000 0.000 0.226 272 D C 0.783 177.140 176.300 0.095 0.000 1.066 272 D CA 0.606 54.635 54.000 0.047 0.000 0.861 272 D CB -0.039 40.786 40.800 0.042 0.000 0.912 272 D HN 0.376 nan 8.370 nan 0.000 0.521 273 G N 0.266 109.166 108.800 0.167 0.000 2.198 273 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 273 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 273 G C 0.938 176.032 174.900 0.324 0.000 1.042 273 G CA 0.927 46.215 45.100 0.313 0.000 0.791 273 G HN 0.595 nan 8.290 nan 0.000 0.502 274 T N -4.123 110.547 114.554 0.194 0.000 2.990 274 T HA 0.420 4.769 4.350 -0.000 0.000 0.250 274 T C 0.667 175.244 174.700 -0.205 0.000 1.041 274 T CA 1.048 63.169 62.100 0.034 0.000 1.010 274 T CB 0.596 69.492 68.868 0.047 0.000 1.003 274 T HN 0.571 nan 8.240 nan 0.000 0.499 275 H N 0.670 119.749 119.070 0.014 0.000 2.895 275 H HA 0.762 5.318 4.556 -0.000 0.000 0.373 275 H C -0.649 174.698 175.328 0.032 0.000 1.174 275 H CA -1.157 54.918 56.048 0.045 0.000 1.144 275 H CB 1.940 31.788 29.762 0.143 0.000 1.793 275 H HN 0.431 nan 8.280 nan 0.000 0.551 276 I N -0.795 119.917 120.570 0.236 0.000 2.969 276 I HA 0.639 4.809 4.170 -0.000 0.000 0.307 276 I C -1.264 175.047 176.117 0.322 0.000 1.149 276 I CA -1.077 60.321 61.300 0.163 0.000 1.008 276 I CB 2.436 40.204 38.000 -0.387 0.000 1.232 276 I HN 0.394 nan 8.210 nan 0.000 0.435 277 I N 3.116 123.819 120.570 0.221 0.000 2.433 277 I HA 0.498 4.668 4.170 -0.000 0.000 0.292 277 I C -0.302 175.871 176.117 0.092 0.000 1.001 277 I CA -0.335 60.954 61.300 -0.018 0.000 1.119 277 I CB 2.179 39.930 38.000 -0.415 0.000 1.289 277 I HN 0.810 nan 8.210 nan 0.000 0.438 278 S N 6.646 122.474 115.700 0.213 0.000 2.526 278 S HA 0.833 5.303 4.470 -0.000 0.000 0.293 278 S C -0.740 173.987 174.600 0.213 0.000 1.092 278 S CA -0.826 57.508 58.200 0.224 0.000 0.980 278 S CB 2.319 65.761 63.200 0.404 0.000 1.048 278 S HN 0.679 nan 8.310 nan 0.000 0.483 279 M N 2.596 122.210 119.600 0.024 0.000 2.446 279 M HA 0.484 4.964 4.480 -0.000 0.000 0.294 279 M C -2.013 174.203 176.300 -0.140 0.000 1.158 279 M CA -0.381 54.935 55.300 0.026 0.000 0.899 279 M CB 1.901 34.517 32.600 0.025 0.000 1.687 279 M HN 0.973 nan 8.290 nan 0.000 0.455 280 D N 2.119 122.456 120.400 -0.104 0.000 2.494 280 D HA 0.378 5.018 4.640 -0.000 0.000 0.259 280 D C 0.994 177.270 176.300 -0.040 0.000 1.109 280 D CA -0.582 53.345 54.000 -0.122 0.000 1.040 280 D CB 0.562 41.312 40.800 -0.084 0.000 1.175 280 D HN 0.411 nan 8.370 nan 0.000 0.584 281 V N -2.466 117.423 119.914 -0.043 0.000 2.594 281 V HA -0.120 4.000 4.120 -0.000 0.000 0.253 281 V C 1.140 177.222 176.094 -0.019 0.000 1.069 281 V CA 1.332 63.611 62.300 -0.036 0.000 1.082 281 V CB -0.837 30.961 31.823 -0.041 0.000 0.680 281 V HN 0.474 nan 8.190 nan 0.000 0.469 282 E N 0.347 120.547 120.200 -0.000 0.000 2.476 282 E HA 0.104 4.454 4.350 -0.000 0.000 0.191 282 E C 0.519 177.129 176.600 0.017 0.000 1.064 282 E CA 0.141 56.545 56.400 0.006 0.000 0.866 282 E CB -0.387 29.319 29.700 0.011 0.000 0.952 282 E HN 0.765 nan 8.360 nan 0.000 0.492 283 N N -0.152 118.560 118.700 0.020 0.000 2.800 283 N HA -0.157 4.582 4.740 -0.000 0.000 0.250 283 N C -0.383 175.172 175.510 0.076 0.000 1.078 283 N CA 0.503 53.569 53.050 0.027 0.000 0.804 283 N CB -1.486 36.998 38.487 -0.005 0.000 1.135 283 N HN 0.012 nan 8.380 nan 0.000 0.565 284 V N 1.586 121.573 119.914 0.121 0.000 2.521 284 V HA 0.160 4.280 4.120 -0.000 0.000 0.286 284 V C 0.887 177.141 176.094 0.267 0.000 1.034 284 V CA 0.508 62.910 62.300 0.169 0.000 1.045 284 V CB 1.416 33.336 31.823 0.162 0.000 0.974 284 V HN 0.110 nan 8.190 nan 0.000 0.480 285 T N 6.719 121.415 114.554 0.238 0.000 2.807 285 T HA 0.628 4.978 4.350 -0.000 0.000 0.279 285 T C -0.538 174.287 174.700 0.208 0.000 0.993 285 T CA -0.368 61.886 62.100 0.256 0.000 0.970 285 T CB 1.207 70.181 68.868 0.177 0.000 0.950 285 T HN 0.282 nan 8.240 nan 0.000 0.441 286 I N 3.523 124.162 120.570 0.116 0.000 2.509 286 I HA 0.444 4.614 4.170 -0.000 0.000 0.293 286 I C -0.655 175.325 176.117 -0.228 0.000 1.020 286 I CA -1.163 60.011 61.300 -0.210 0.000 1.088 286 I CB 1.800 39.467 38.000 -0.554 0.000 1.267 286 I HN 0.480 nan 8.210 nan 0.000 0.430 287 L N 6.444 127.467 121.223 -0.334 0.000 2.265 287 L HA 0.544 4.884 4.340 -0.000 0.000 0.289 287 L C -1.581 175.165 176.870 -0.207 0.000 1.033 287 L CA 0.028 54.740 54.840 -0.213 0.000 0.814 287 L CB 0.826 42.789 42.059 -0.160 0.000 1.203 287 L HN 0.439 nan 8.230 nan 0.000 0.423 288 W N 3.358 124.644 121.300 -0.022 0.000 2.627 288 W HA 0.453 5.113 4.660 0.000 0.000 0.339 288 W C 0.093 176.604 176.519 -0.014 0.000 1.058 288 W CA -0.554 56.762 57.345 -0.048 0.000 1.223 288 W CB 0.946 30.344 29.460 -0.104 0.000 1.389 288 W HN 0.507 nan 8.180 nan 0.000 0.541 289 N N 1.878 120.685 118.700 0.180 0.000 2.437 289 N HA 0.043 4.782 4.740 -0.000 0.000 0.243 289 N C 0.394 175.874 175.510 -0.049 0.000 1.041 289 N CA 0.018 53.007 53.050 -0.101 0.000 0.940 289 N CB 1.649 40.091 38.487 -0.075 0.000 1.133 289 N HN 0.476 nan 8.380 nan 0.000 0.506 290 V N 5.304 125.137 119.914 -0.135 0.000 2.626 290 V HA -0.118 4.002 4.120 -0.000 0.000 0.252 290 V C 1.946 177.968 176.094 -0.119 0.000 1.067 290 V CA 1.329 63.526 62.300 -0.172 0.000 1.081 290 V CB -0.284 31.353 31.823 -0.311 0.000 0.686 290 V HN 0.673 nan 8.190 nan 0.000 0.468 291 I N 0.290 120.806 120.570 -0.090 0.000 2.277 291 I HA -0.132 4.038 4.170 -0.000 0.000 0.243 291 I C 2.495 178.582 176.117 -0.051 0.000 1.094 291 I CA 1.695 62.964 61.300 -0.052 0.000 1.393 291 I CB -0.345 37.632 38.000 -0.038 0.000 1.078 291 I HN 0.492 nan 8.210 nan 0.000 0.417 292 S N 0.241 115.913 115.700 -0.046 0.000 2.501 292 S HA 0.134 4.604 4.470 -0.000 0.000 0.220 292 S C 1.676 176.269 174.600 -0.013 0.000 0.997 292 S CA 0.427 58.611 58.200 -0.026 0.000 0.919 292 S CB 0.220 63.411 63.200 -0.015 0.000 0.778 292 S HN 0.574 nan 8.310 nan 0.000 0.523 293 G N 1.902 110.699 108.800 -0.005 0.000 2.198 293 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.257 293 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.257 293 G C 0.071 175.089 174.900 0.197 0.000 1.042 293 G CA 0.374 45.492 45.100 0.030 0.000 0.791 293 G HN 1.168 nan 8.290 nan 0.000 0.502 294 T N -2.868 111.795 114.554 0.182 0.000 2.925 294 T HA 0.679 5.029 4.350 -0.000 0.000 0.285 294 T C 0.084 174.795 174.700 0.019 0.000 1.021 294 T CA -0.672 61.489 62.100 0.101 0.000 1.042 294 T CB 2.730 71.604 68.868 0.010 0.000 1.037 294 T HN 0.721 nan 8.240 nan 0.000 0.481 295 V N 4.285 124.030 119.914 -0.282 0.000 2.389 295 V HA 0.166 4.286 4.120 -0.000 0.000 0.264 295 V C 1.124 176.978 176.094 -0.400 0.000 1.049 295 V CA -0.201 61.706 62.300 -0.655 0.000 0.932 295 V CB 0.160 31.362 31.823 -1.035 0.000 1.011 295 V HN 0.958 nan 8.190 nan 0.000 0.475 296 M N 2.764 122.176 119.600 -0.313 0.000 2.357 296 M HA 0.173 4.653 4.480 -0.000 0.000 0.266 296 M C 0.572 176.717 176.300 -0.258 0.000 1.095 296 M CA 1.266 56.458 55.300 -0.180 0.000 1.156 296 M CB 0.296 32.882 32.600 -0.023 0.000 1.365 296 M HN 0.614 nan 8.290 nan 0.000 0.447 297 Q N -0.402 119.168 119.800 -0.383 0.000 2.435 297 Q HA 0.327 4.667 4.340 -0.000 0.000 0.282 297 Q C -1.481 174.061 176.000 -0.763 0.000 1.020 297 Q CA -0.669 54.776 55.803 -0.597 0.000 0.820 297 Q CB 2.538 30.951 28.738 -0.543 0.000 1.436 297 Q HN 0.345 nan 8.270 nan 0.000 0.395 298 H N -1.089 117.426 119.070 -0.925 0.000 2.771 298 H HA 0.725 5.281 4.556 -0.000 0.000 0.361 298 H C -1.635 173.190 175.328 -0.837 0.000 1.108 298 H CA -0.732 54.889 56.048 -0.712 0.000 1.201 298 H CB 0.850 30.375 29.762 -0.396 0.000 1.681 298 H HN 0.342 nan 8.280 nan 0.000 0.534 299 F N 1.228 121.164 119.950 -0.024 0.000 2.529 299 F HA 0.454 4.980 4.527 -0.001 0.000 0.320 299 F C -0.520 175.303 175.800 0.039 0.000 1.118 299 F CA -0.842 57.140 58.000 -0.031 0.000 0.915 299 F CB 2.332 41.253 39.000 -0.132 0.000 1.161 299 F HN 0.557 nan 8.300 nan 0.000 0.445 300 E N 3.166 123.494 120.200 0.214 0.000 3.374 300 E HA 0.314 4.663 4.350 -0.000 0.000 0.223 300 E C 0.284 176.941 176.600 0.094 0.000 1.210 300 E CA 0.026 56.502 56.400 0.127 0.000 0.987 300 E CB 0.536 30.294 29.700 0.098 0.000 1.322 300 E HN 0.600 nan 8.360 nan 0.000 0.404 301 L N 0.255 121.514 121.223 0.060 0.000 2.551 301 L HA 0.066 4.406 4.340 -0.000 0.000 0.228 301 L C 0.915 177.762 176.870 -0.040 0.000 1.153 301 L CA 0.699 55.530 54.840 -0.015 0.000 0.851 301 L CB -0.279 41.673 42.059 -0.178 0.000 0.959 301 L HN 0.172 nan 8.230 nan 0.000 0.451 319 S N -0.815 114.867 115.700 -0.029 0.000 2.560 319 S HA 0.225 4.695 4.470 -0.000 0.000 0.284 319 S C 1.411 175.986 174.600 -0.041 0.000 1.327 319 S CA -0.250 57.928 58.200 -0.036 0.000 1.055 319 S CB 0.177 63.352 63.200 -0.043 0.000 0.868 319 S HN 0.479 nan 8.310 nan 0.000 0.506 320 L N 4.114 125.308 121.223 -0.049 0.000 2.529 320 L HA 0.382 4.722 4.340 -0.000 0.000 0.223 320 L C 1.274 178.105 176.870 -0.066 0.000 1.113 320 L CA 0.338 55.139 54.840 -0.063 0.000 0.861 320 L CB -0.529 41.476 42.059 -0.089 0.000 1.012 320 L HN 0.904 nan 8.230 nan 0.000 0.461 321 G N -0.469 108.296 108.800 -0.058 0.000 2.356 321 G HA2 0.177 4.137 3.960 -0.000 0.000 0.300 321 G HA3 0.177 4.137 3.960 -0.000 0.000 0.300 321 G C -0.734 174.136 174.900 -0.049 0.000 1.331 321 G CA -0.127 44.938 45.100 -0.058 0.000 0.905 321 G HN -0.162 nan 8.290 nan 0.000 0.587 322 V N -2.807 117.081 119.914 -0.044 0.000 3.111 322 V HA 0.607 4.726 4.120 -0.000 0.000 0.343 322 V C -0.421 175.663 176.094 -0.016 0.000 1.417 322 V CA 0.463 62.741 62.300 -0.036 0.000 1.142 322 V CB 0.591 32.386 31.823 -0.047 0.000 1.114 322 V HN 0.723 nan 8.190 nan 0.000 0.520 323 D N 0.359 120.754 120.400 -0.008 0.000 2.602 323 D HA 0.748 5.388 4.640 -0.000 0.000 0.236 323 D C -0.830 175.479 176.300 0.016 0.000 1.209 323 D CA 0.147 54.159 54.000 0.020 0.000 0.831 323 D CB 3.008 43.834 40.800 0.042 0.000 1.478 323 D HN 0.403 nan 8.370 nan 0.000 0.438 324 V N -1.021 118.913 119.914 0.034 0.000 3.181 324 V HA 1.002 5.122 4.120 -0.000 0.000 0.308 324 V C -1.128 174.999 176.094 0.055 0.000 1.214 324 V CA -0.736 61.570 62.300 0.010 0.000 1.053 324 V CB 2.013 33.809 31.823 -0.045 0.000 1.069 324 V HN 0.614 nan 8.190 nan 0.000 0.441 325 E N 0.195 120.411 120.200 0.027 0.000 2.380 325 E HA 0.484 4.834 4.350 -0.000 0.000 0.281 325 E C -2.295 174.342 176.600 0.062 0.000 0.999 325 E CA -0.325 56.149 56.400 0.125 0.000 0.800 325 E CB 1.511 31.339 29.700 0.214 0.000 1.228 325 E HN 0.759 nan 8.360 nan 0.000 0.436 326 W N 3.780 125.189 121.300 0.181 0.000 2.315 326 W HA 0.368 5.029 4.660 0.000 0.000 0.316 326 W C 1.108 177.581 176.519 -0.077 0.000 1.211 326 W CA -0.210 57.213 57.345 0.130 0.000 1.201 326 W CB 1.564 31.125 29.460 0.169 0.000 1.184 326 W HN 0.440 nan 8.180 nan 0.000 0.544 327 V N -1.123 118.740 119.914 -0.085 0.000 3.477 327 V HA 0.343 4.463 4.120 -0.000 0.000 0.297 327 V C -0.444 175.249 176.094 -0.669 0.000 1.433 327 V CA 0.163 61.919 62.300 -0.907 0.000 1.052 327 V CB -0.008 31.350 31.823 -0.776 0.000 0.895 327 V HN 0.549 nan 8.190 nan 0.000 0.438 328 D N -0.934 119.411 120.400 -0.092 0.000 2.764 328 D HA 0.160 4.800 4.640 -0.000 0.000 0.293 328 D C -0.137 176.262 176.300 0.165 0.000 1.287 328 D CA -0.129 53.889 54.000 0.031 0.000 0.768 328 D CB 1.541 42.344 40.800 0.005 0.000 1.288 328 D HN -0.065 nan 8.370 nan 0.000 0.426 329 D N -0.253 120.202 120.400 0.092 0.000 2.221 329 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 329 D C 0.664 177.015 176.300 0.086 0.000 0.982 329 D CA 1.228 55.248 54.000 0.033 0.000 0.857 329 D CB 0.285 41.094 40.800 0.015 0.000 0.934 329 D HN 0.495 nan 8.370 nan 0.000 0.475 330 D N -0.628 119.889 120.400 0.194 0.000 2.620 330 D HA 0.095 4.735 4.640 -0.000 0.000 0.260 330 D C -0.092 176.402 176.300 0.323 0.000 1.367 330 D CA -0.223 53.939 54.000 0.270 0.000 0.805 330 D CB 0.153 41.021 40.800 0.114 0.000 1.096 330 D HN -0.015 nan 8.370 nan 0.000 0.488 331 K N 0.354 120.966 120.400 0.354 0.000 2.426 331 K HA 0.631 4.951 4.320 -0.000 0.000 0.251 331 K C -1.041 175.646 176.600 0.144 0.000 0.941 331 K CA -0.869 55.478 56.287 0.099 0.000 0.808 331 K CB 2.232 34.702 32.500 -0.050 0.000 1.265 331 K HN 0.062 nan 8.250 nan 0.000 0.432 332 F N -1.486 118.355 119.950 -0.182 0.000 2.711 332 F HA 0.710 5.237 4.527 -0.000 0.000 0.313 332 F C -1.124 174.543 175.800 -0.222 0.000 1.141 332 F CA -1.367 56.428 58.000 -0.341 0.000 0.941 332 F CB 0.802 39.300 39.000 -0.837 0.000 1.349 332 F HN 0.198 nan 8.300 nan 0.000 0.464 333 V N 0.905 120.816 119.914 -0.005 0.000 2.735 333 V HA 0.893 5.013 4.120 -0.000 0.000 0.310 333 V C -0.653 175.456 176.094 0.026 0.000 1.061 333 V CA -0.915 61.364 62.300 -0.036 0.000 0.913 333 V CB 1.508 33.278 31.823 -0.089 0.000 1.005 333 V HN 1.226 nan 8.190 nan 0.000 0.428 334 I N -0.050 120.530 120.570 0.017 0.000 2.894 334 I HA 0.807 4.977 4.170 -0.000 0.000 0.302 334 I C -3.068 173.002 176.117 -0.079 0.000 1.188 334 I CA -2.728 58.553 61.300 -0.031 0.000 1.014 334 I CB 2.566 40.519 38.000 -0.079 0.000 1.242 334 I HN 0.382 nan 8.210 nan 0.000 0.430 335 P HA 0.252 nan 4.420 nan 0.000 0.268 335 P C -0.233 176.893 177.300 -0.289 0.000 1.204 335 P CA 0.240 63.252 63.100 -0.147 0.000 0.768 335 P CB 0.863 32.500 31.700 -0.105 0.000 0.842 336 G N 3.259 111.817 108.800 -0.403 0.000 2.932 336 G HA2 0.617 4.577 3.960 -0.000 0.000 0.283 336 G HA3 0.617 4.577 3.960 -0.000 0.000 0.283 336 G C -2.932 171.744 174.900 -0.373 0.000 1.336 336 G CA -1.953 42.685 45.100 -0.770 0.000 1.056 336 G HN 0.198 nan 8.290 nan 0.000 0.522 337 P HA 0.186 nan 4.420 nan 0.000 0.269 337 P C -0.428 176.848 177.300 -0.039 0.000 1.215 337 P CA 0.121 63.154 63.100 -0.110 0.000 0.780 337 P CB 0.393 32.062 31.700 -0.051 0.000 0.898 338 K N 1.668 122.058 120.400 -0.015 0.000 3.012 338 K HA -0.239 4.081 4.320 -0.000 0.000 0.259 338 K C 0.957 177.566 176.600 0.016 0.000 0.989 338 K CA 0.676 56.970 56.287 0.011 0.000 0.728 338 K CB -2.450 30.064 32.500 0.023 0.000 1.260 338 K HN 0.976 nan 8.250 nan 0.000 0.480 339 G N -1.472 107.333 108.800 0.010 0.000 2.179 339 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 339 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 339 G C 0.316 175.256 174.900 0.066 0.000 0.977 339 G CA 0.383 45.511 45.100 0.046 0.000 0.641 339 G HN 0.930 nan 8.290 nan 0.000 0.533 340 A N -0.426 122.414 122.820 0.034 0.000 2.366 340 A HA 0.728 5.048 4.320 -0.000 0.000 0.249 340 A C 0.283 177.878 177.584 0.018 0.000 1.084 340 A CA 0.207 52.284 52.037 0.066 0.000 0.794 340 A CB 0.421 19.544 19.000 0.205 0.000 1.034 340 A HN 0.845 nan 8.150 nan 0.000 0.491 341 I N 1.408 121.969 120.570 -0.016 0.000 2.410 341 I HA 0.297 4.467 4.170 -0.000 0.000 0.286 341 I C -1.162 174.991 176.117 0.061 0.000 1.009 341 I CA -0.253 61.000 61.300 -0.078 0.000 1.111 341 I CB 1.270 39.092 38.000 -0.297 0.000 1.262 341 I HN 0.416 nan 8.210 nan 0.000 0.443 342 F N 5.774 125.576 119.950 -0.247 0.000 2.394 342 F HA 0.432 4.958 4.527 -0.000 0.000 0.340 342 F C 0.324 175.858 175.800 -0.443 0.000 1.105 342 F CA -0.929 56.856 58.000 -0.358 0.000 1.124 342 F CB 1.409 40.229 39.000 -0.301 0.000 1.145 342 F HN -0.016 nan 8.300 nan 0.000 0.505 343 V N 4.612 124.240 119.914 -0.478 0.000 2.483 343 V HA 0.446 4.566 4.120 -0.000 0.000 0.295 343 V C -0.843 174.791 176.094 -0.766 0.000 1.035 343 V CA -0.911 61.095 62.300 -0.490 0.000 0.896 343 V CB 1.268 32.858 31.823 -0.388 0.000 0.986 343 V HN 0.571 nan 8.190 nan 0.000 0.447 344 Y N 1.743 121.622 120.300 -0.703 0.000 2.605 344 Y HA 0.606 5.155 4.550 -0.000 0.000 0.343 344 Y C 0.004 175.453 175.900 -0.751 0.000 1.036 344 Y CA -0.769 56.852 58.100 -0.798 0.000 1.065 344 Y CB 2.049 39.785 38.460 -1.206 0.000 1.288 344 Y HN 0.537 nan 8.280 nan 0.000 0.481 345 Q N 1.262 120.920 119.800 -0.236 0.000 2.342 345 Q HA 0.449 4.789 4.340 -0.000 0.000 0.267 345 Q C 0.369 176.401 176.000 0.053 0.000 1.038 345 Q CA -0.459 55.285 55.803 -0.097 0.000 0.832 345 Q CB 1.625 30.332 28.738 -0.052 0.000 1.323 345 Q HN 0.895 nan 8.270 nan 0.000 0.448 346 I N 1.246 121.926 120.570 0.184 0.000 2.185 346 I HA -0.330 3.839 4.170 -0.000 0.000 0.246 346 I C 1.988 178.199 176.117 0.157 0.000 1.088 346 I CA 2.118 63.574 61.300 0.261 0.000 1.347 346 I CB -0.235 37.870 38.000 0.174 0.000 1.041 346 I HN 0.780 nan 8.210 nan 0.000 0.415 347 T N -2.537 112.074 114.554 0.094 0.000 3.148 347 T HA 0.097 4.447 4.350 -0.000 0.000 0.253 347 T C 0.591 175.321 174.700 0.050 0.000 1.134 347 T CA 0.146 62.283 62.100 0.061 0.000 1.051 347 T CB -0.002 68.890 68.868 0.040 0.000 0.959 347 T HN 0.075 nan 8.240 nan 0.000 0.525 348 E N 0.838 121.081 120.200 0.072 0.000 2.210 348 E HA 0.404 4.754 4.350 -0.000 0.000 0.266 348 E C 0.073 176.760 176.600 0.145 0.000 0.883 348 E CA -0.566 55.876 56.400 0.069 0.000 0.761 348 E CB 2.236 31.956 29.700 0.034 0.000 1.156 348 E HN 0.231 nan 8.360 nan 0.000 0.412 349 K N 0.362 120.827 120.400 0.108 0.000 2.228 349 K HA 0.074 4.394 4.320 -0.000 0.000 0.202 349 K C 0.411 177.189 176.600 0.297 0.000 1.051 349 K CA 0.685 57.068 56.287 0.159 0.000 0.960 349 K CB 0.231 32.732 32.500 0.002 0.000 0.743 349 K HN 0.297 nan 8.250 nan 0.000 0.458 350 T N 3.590 118.236 114.554 0.153 0.000 2.832 350 T HA 0.186 4.536 4.350 -0.000 0.000 0.296 350 T C -2.503 172.166 174.700 -0.053 0.000 0.968 350 T CA -1.468 60.674 62.100 0.071 0.000 1.107 350 T CB 1.255 70.115 68.868 -0.013 0.000 0.916 350 T HN -0.103 nan 8.240 nan 0.000 0.517 351 P HA 0.059 nan 4.420 nan 0.000 0.265 351 P C 1.116 178.132 177.300 -0.474 0.000 1.187 351 P CA -0.055 62.592 63.100 -0.754 0.000 0.766 351 P CB 0.390 31.515 31.700 -0.958 0.000 0.820 352 T N -0.205 114.075 114.554 -0.456 0.000 3.067 352 T HA 0.311 4.660 4.350 -0.000 0.000 0.261 352 T C 0.809 175.322 174.700 -0.312 0.000 1.110 352 T CA 0.461 62.379 62.100 -0.304 0.000 1.113 352 T CB -0.292 68.427 68.868 -0.248 0.000 0.917 352 T HN 0.572 nan 8.240 nan 0.000 0.499 353 G N -0.152 108.400 108.800 -0.414 0.000 2.523 353 G HA2 0.553 4.513 3.960 -0.000 0.000 0.291 353 G HA3 0.553 4.513 3.960 -0.000 0.000 0.291 353 G C -2.244 172.373 174.900 -0.471 0.000 1.450 353 G CA -1.169 43.710 45.100 -0.369 0.000 0.790 353 G HN 0.195 nan 8.290 nan 0.000 0.496 354 K N 0.378 120.543 120.400 -0.392 0.000 2.507 354 K HA 0.454 4.774 4.320 -0.000 0.000 0.251 354 K C -0.929 175.508 176.600 -0.271 0.000 0.943 354 K CA -0.682 55.368 56.287 -0.395 0.000 0.794 354 K CB 2.666 34.880 32.500 -0.477 0.000 1.188 354 K HN 0.305 nan 8.250 nan 0.000 0.428 355 L N 4.823 125.840 121.223 -0.343 0.000 2.259 355 L HA 0.403 4.743 4.340 -0.000 0.000 0.288 355 L C -0.376 176.309 176.870 -0.308 0.000 1.051 355 L CA -0.807 53.711 54.840 -0.536 0.000 0.824 355 L CB 0.232 41.479 42.059 -1.353 0.000 1.206 355 L HN 0.381 nan 8.230 nan 0.000 0.429 356 I N 2.435 123.015 120.570 0.018 0.000 2.359 356 I HA 0.551 4.721 4.170 -0.000 0.000 0.294 356 I C 0.917 177.180 176.117 0.243 0.000 0.987 356 I CA -0.039 61.320 61.300 0.098 0.000 1.225 356 I CB 1.262 39.284 38.000 0.037 0.000 1.366 356 I HN 0.789 nan 8.210 nan 0.000 0.466 357 G N 5.322 114.202 108.800 0.133 0.000 4.081 357 G HA2 -0.051 3.908 3.960 -0.000 0.000 0.192 357 G HA3 -0.051 3.908 3.960 -0.000 0.000 0.192 357 G C 0.293 175.076 174.900 -0.196 0.000 0.917 357 G CA -0.401 44.691 45.100 -0.013 0.000 0.915 357 G HN 0.512 nan 8.290 nan 0.000 0.330 358 H N 0.675 119.767 119.070 0.037 0.000 2.771 358 H HA 0.369 4.925 4.556 -0.000 0.000 0.364 358 H C 0.332 175.561 175.328 -0.166 0.000 1.133 358 H CA 0.729 56.786 56.048 0.015 0.000 1.423 358 H CB 1.004 30.823 29.762 0.095 0.000 1.425 358 H HN 0.399 nan 8.280 nan 0.000 0.606 359 H N -0.100 119.092 119.070 0.204 0.000 2.581 359 H HA 0.359 4.915 4.556 -0.000 0.000 0.275 359 H C 0.898 176.279 175.328 0.087 0.000 1.126 359 H CA 0.074 56.195 56.048 0.122 0.000 1.097 359 H CB 0.967 30.791 29.762 0.103 0.000 1.626 359 H HN 0.723 nan 8.280 nan 0.000 0.565 360 G N -0.226 108.673 108.800 0.166 0.000 2.649 360 G HA2 0.386 4.346 3.960 -0.000 0.000 0.290 360 G HA3 0.386 4.346 3.960 -0.000 0.000 0.290 360 G C -2.962 171.944 174.900 0.009 0.000 1.426 360 G CA -1.855 43.291 45.100 0.076 0.000 0.794 360 G HN -0.237 nan 8.290 nan 0.000 0.483 361 P HA 0.138 nan 4.420 nan 0.000 0.266 361 P C -0.100 177.143 177.300 -0.095 0.000 1.193 361 P CA -0.086 62.983 63.100 -0.051 0.000 0.770 361 P CB 0.497 32.169 31.700 -0.046 0.000 0.836 362 I N 2.434 122.944 120.570 -0.100 0.000 2.337 362 I HA 0.027 4.197 4.170 -0.000 0.000 0.291 362 I C 1.473 177.537 176.117 -0.089 0.000 1.046 362 I CA 0.494 61.717 61.300 -0.129 0.000 1.324 362 I CB 0.366 38.313 38.000 -0.089 0.000 1.409 362 I HN 0.406 nan 8.210 nan 0.000 0.494 363 S N 5.173 120.817 115.700 -0.094 0.000 2.492 363 S HA 0.231 4.701 4.470 -0.000 0.000 0.218 363 S C 0.483 175.071 174.600 -0.020 0.000 1.016 363 S CA -0.147 58.019 58.200 -0.058 0.000 0.916 363 S CB 0.358 63.519 63.200 -0.064 0.000 0.791 363 S HN 0.358 nan 8.310 nan 0.000 0.513 364 V N 1.407 121.316 119.914 -0.009 0.000 2.851 364 V HA 0.531 4.651 4.120 -0.000 0.000 0.307 364 V C -1.275 174.867 176.094 0.080 0.000 1.129 364 V CA -0.744 61.583 62.300 0.044 0.000 0.932 364 V CB 1.970 33.824 31.823 0.051 0.000 1.024 364 V HN 0.361 nan 8.190 nan 0.000 0.426 365 L N 3.979 125.276 121.223 0.123 0.000 2.491 365 L HA 0.639 4.979 4.340 -0.000 0.000 0.267 365 L C -0.952 176.066 176.870 0.248 0.000 0.971 365 L CA -0.305 54.640 54.840 0.174 0.000 0.857 365 L CB 2.036 44.173 42.059 0.130 0.000 1.226 365 L HN 0.563 nan 8.230 nan 0.000 0.408 366 E N 3.350 123.746 120.200 0.327 0.000 2.244 366 E HA 0.315 4.665 4.350 -0.000 0.000 0.260 366 E C -1.482 175.508 176.600 0.651 0.000 0.884 366 E CA -0.513 56.152 56.400 0.440 0.000 0.777 366 E CB 3.090 33.024 29.700 0.391 0.000 1.197 366 E HN 0.227 nan 8.360 nan 0.000 0.416 367 F N 2.659 122.847 119.950 0.397 0.000 2.404 367 F HA 0.309 4.836 4.527 -0.000 0.000 0.339 367 F C 0.256 176.134 175.800 0.129 0.000 1.105 367 F CA -0.798 57.391 58.000 0.314 0.000 1.087 367 F CB 0.892 40.032 39.000 0.233 0.000 1.143 367 F HN 0.299 nan 8.300 nan 0.000 0.491 368 N N 4.235 122.387 118.700 -0.914 0.000 2.457 368 N HA 0.096 4.836 4.740 -0.000 0.000 0.250 368 N C 0.053 174.891 175.510 -1.121 0.000 0.982 368 N CA -0.379 52.026 53.050 -1.075 0.000 0.941 368 N CB 0.667 38.069 38.487 -1.807 0.000 1.120 368 N HN 0.714 nan 8.380 nan 0.000 0.505 369 D N 1.988 122.051 120.400 -0.562 0.000 2.371 369 D HA -0.019 4.621 4.640 -0.000 0.000 0.221 369 D C 0.850 177.021 176.300 -0.215 0.000 0.986 369 D CA 1.065 54.914 54.000 -0.252 0.000 0.899 369 D CB 0.519 41.330 40.800 0.020 0.000 0.902 369 D HN 0.531 nan 8.370 nan 0.000 0.530 370 T N -0.677 113.694 114.554 -0.306 0.000 2.925 370 T HA -0.064 4.286 4.350 -0.000 0.000 0.245 370 T C 1.432 176.000 174.700 -0.219 0.000 1.025 370 T CA 0.840 62.813 62.100 -0.212 0.000 1.149 370 T CB -0.162 68.589 68.868 -0.195 0.000 0.866 370 T HN 0.253 nan 8.240 nan 0.000 0.437 371 N N 1.046 119.544 118.700 -0.338 0.000 2.398 371 N HA 0.002 4.741 4.740 -0.000 0.000 0.188 371 N C 0.065 175.447 175.510 -0.213 0.000 1.122 371 N CA 0.178 53.074 53.050 -0.257 0.000 0.866 371 N CB -0.174 38.136 38.487 -0.296 0.000 0.970 371 N HN 0.019 nan 8.380 nan 0.000 0.462 372 K N -0.297 119.901 120.400 -0.336 0.000 3.069 372 K HA -0.153 4.167 4.320 -0.000 0.000 0.267 372 K C -0.855 175.721 176.600 -0.041 0.000 1.082 372 K CA 0.476 56.654 56.287 -0.182 0.000 0.782 372 K CB -2.266 30.315 32.500 0.135 0.000 1.230 372 K HN 0.468 nan 8.250 nan 0.000 0.488 373 L N 0.231 121.282 121.223 -0.286 0.000 2.334 373 L HA 0.539 4.879 4.340 -0.000 0.000 0.273 373 L C 0.130 177.192 176.870 0.321 0.000 1.013 373 L CA -1.377 53.546 54.840 0.139 0.000 0.816 373 L CB 1.397 43.594 42.059 0.230 0.000 1.278 373 L HN -0.008 nan 8.230 nan 0.000 0.431 374 L N 3.258 124.861 121.223 0.634 0.000 2.295 374 L HA 0.537 4.876 4.340 -0.000 0.000 0.285 374 L C -0.868 176.422 176.870 0.700 0.000 1.035 374 L CA -0.295 54.984 54.840 0.733 0.000 0.806 374 L CB 1.559 43.982 42.059 0.607 0.000 1.214 374 L HN 0.465 nan 8.230 nan 0.000 0.426 375 L N 5.260 126.838 121.223 0.592 0.000 2.295 375 L HA 0.792 5.131 4.340 -0.000 0.000 0.285 375 L C -0.423 176.612 176.870 0.275 0.000 1.035 375 L CA 0.285 55.259 54.840 0.224 0.000 0.806 375 L CB 1.490 43.368 42.059 -0.302 0.000 1.214 375 L HN 0.810 nan 8.230 nan 0.000 0.426 376 S N 3.766 119.651 115.700 0.309 0.000 2.542 376 S HA 1.001 5.471 4.470 -0.000 0.000 0.293 376 S C -0.643 174.073 174.600 0.192 0.000 1.089 376 S CA -0.300 58.091 58.200 0.318 0.000 0.961 376 S CB 1.745 65.300 63.200 0.592 0.000 1.062 376 S HN 1.141 nan 8.310 nan 0.000 0.483 377 A N 0.966 123.804 122.820 0.030 0.000 2.454 377 A HA 0.931 5.251 4.320 -0.000 0.000 0.302 377 A C -0.299 177.135 177.584 -0.251 0.000 1.079 377 A CA -0.745 51.254 52.037 -0.064 0.000 0.731 377 A CB 1.804 20.786 19.000 -0.029 0.000 1.299 377 A HN 1.303 nan 8.150 nan 0.000 0.413 378 S N -0.615 114.921 115.700 -0.273 0.000 2.618 378 S HA 0.475 4.945 4.470 -0.000 0.000 0.277 378 S C -0.401 174.133 174.600 -0.110 0.000 1.138 378 S CA -0.423 57.600 58.200 -0.295 0.000 0.844 378 S CB 1.447 64.319 63.200 -0.547 0.000 1.127 378 S HN 0.549 nan 8.310 nan 0.000 0.474 379 D N 1.427 121.782 120.400 -0.075 0.000 2.310 379 D HA -0.040 4.600 4.640 -0.000 0.000 0.212 379 D C 1.129 177.440 176.300 0.017 0.000 0.965 379 D CA 1.121 55.104 54.000 -0.027 0.000 0.879 379 D CB -0.200 40.587 40.800 -0.021 0.000 0.921 379 D HN 0.745 nan 8.370 nan 0.000 0.510 380 D N -0.581 119.845 120.400 0.044 0.000 2.378 380 D HA 0.018 4.658 4.640 -0.000 0.000 0.227 380 D C 1.500 177.862 176.300 0.104 0.000 1.012 380 D CA 0.826 54.888 54.000 0.103 0.000 0.905 380 D CB -0.510 40.410 40.800 0.201 0.000 0.895 380 D HN 0.162 nan 8.370 nan 0.000 0.532 381 G N -0.331 108.516 108.800 0.078 0.000 2.148 381 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.254 381 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.254 381 G C 0.370 175.341 174.900 0.118 0.000 0.981 381 G CA 0.752 45.921 45.100 0.115 0.000 0.670 381 G HN 0.914 nan 8.290 nan 0.000 0.528 382 T N -1.911 112.674 114.554 0.052 0.000 2.916 382 T HA 0.795 5.145 4.350 -0.000 0.000 0.292 382 T C -0.237 174.465 174.700 0.003 0.000 1.064 382 T CA -1.038 61.024 62.100 -0.064 0.000 1.011 382 T CB 2.631 71.337 68.868 -0.269 0.000 1.152 382 T HN 0.557 nan 8.240 nan 0.000 0.510 383 L N 1.059 122.195 121.223 -0.145 0.000 2.334 383 L HA 0.699 5.039 4.340 -0.000 0.000 0.276 383 L C 0.309 177.050 176.870 -0.214 0.000 1.014 383 L CA -1.054 53.725 54.840 -0.101 0.000 0.815 383 L CB 2.019 43.945 42.059 -0.222 0.000 1.268 383 L HN 0.628 nan 8.230 nan 0.000 0.428 384 R N 2.578 122.997 120.500 -0.135 0.000 2.744 384 R HA 0.663 5.003 4.340 -0.000 0.000 0.279 384 R C -1.348 174.708 176.300 -0.406 0.000 0.977 384 R CA -0.917 54.896 56.100 -0.479 0.000 0.906 384 R CB 2.737 32.589 30.300 -0.747 0.000 1.197 384 R HN 0.363 nan 8.270 nan 0.000 0.463 385 I N 1.994 122.217 120.570 -0.579 0.000 2.406 385 I HA 0.338 4.508 4.170 -0.000 0.000 0.290 385 I C -0.976 174.937 176.117 -0.339 0.000 0.999 385 I CA -0.897 60.263 61.300 -0.233 0.000 1.124 385 I CB 1.298 39.244 38.000 -0.090 0.000 1.289 385 I HN 0.534 nan 8.210 nan 0.000 0.441 386 W N 4.691 126.075 121.300 0.141 0.000 2.587 386 W HA 0.434 5.093 4.660 -0.001 0.000 0.324 386 W C 0.935 177.576 176.519 0.202 0.000 1.040 386 W CA -0.490 56.932 57.345 0.129 0.000 1.222 386 W CB 0.993 30.512 29.460 0.099 0.000 1.381 386 W HN 0.613 nan 8.180 nan 0.000 0.483 387 H N 1.076 120.317 119.070 0.284 0.000 2.426 387 H HA 0.348 4.904 4.556 -0.000 0.000 0.286 387 H C 1.183 176.618 175.328 0.178 0.000 0.990 387 H CA 0.761 56.930 56.048 0.202 0.000 1.237 387 H CB -0.103 29.729 29.762 0.117 0.000 1.466 387 H HN 0.449 nan 8.280 nan 0.000 0.525 388 G N -0.501 108.286 108.800 -0.023 0.000 2.527 388 G HA2 0.327 4.286 3.960 -0.000 0.000 0.248 388 G HA3 0.327 4.286 3.960 -0.000 0.000 0.248 388 G C 0.975 175.840 174.900 -0.058 0.000 1.231 388 G CA -0.125 44.907 45.100 -0.114 0.000 0.838 388 G HN 0.539 nan 8.290 nan 0.000 0.570 389 G N -0.089 108.644 108.800 -0.112 0.000 2.920 389 G HA2 0.134 4.093 3.960 -0.000 0.000 0.208 389 G HA3 0.134 4.093 3.960 -0.000 0.000 0.208 389 G C 0.576 175.393 174.900 -0.139 0.000 1.159 389 G CA -0.000 45.025 45.100 -0.124 0.000 0.784 389 G HN 0.718 nan 8.290 nan 0.000 0.535 390 N N -1.350 117.296 118.700 -0.091 0.000 2.710 390 N HA 0.433 5.173 4.740 -0.000 0.000 0.257 390 N C 0.025 175.523 175.510 -0.021 0.000 1.140 390 N CA 0.564 53.555 53.050 -0.099 0.000 0.953 390 N CB 1.209 39.620 38.487 -0.126 0.000 1.664 390 N HN 0.540 nan 8.380 nan 0.000 0.497 391 G N 2.291 111.090 108.800 -0.002 0.000 2.418 391 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.206 391 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.206 391 G C -1.223 173.787 174.900 0.183 0.000 1.202 391 G CA -0.626 44.509 45.100 0.058 0.000 1.061 391 G HN 0.676 nan 8.290 nan 0.000 0.563 392 N N 0.665 119.456 118.700 0.151 0.000 2.408 392 N HA 0.555 5.295 4.740 -0.000 0.000 0.260 392 N C 0.779 176.342 175.510 0.088 0.000 1.242 392 N CA 0.445 53.576 53.050 0.134 0.000 0.959 392 N CB 1.192 39.685 38.487 0.011 0.000 1.201 392 N HN 1.077 nan 8.380 nan 0.000 0.511 393 S N -1.000 114.502 115.700 -0.331 0.000 2.652 393 S HA 0.096 4.566 4.470 -0.000 0.000 0.270 393 S C 0.951 175.324 174.600 -0.379 0.000 1.243 393 S CA -0.560 57.207 58.200 -0.723 0.000 0.999 393 S CB 1.887 64.118 63.200 -1.615 0.000 0.973 393 S HN 0.689 nan 8.310 nan 0.000 0.544 394 Q N 0.826 120.433 119.800 -0.321 0.000 2.163 394 Q HA 0.090 4.429 4.340 -0.000 0.000 0.198 394 Q C -0.326 175.500 176.000 -0.290 0.000 0.954 394 Q CA 0.743 56.431 55.803 -0.192 0.000 0.851 394 Q CB 0.152 28.851 28.738 -0.066 0.000 0.928 394 Q HN 0.747 nan 8.270 nan 0.000 0.459 395 N N -0.858 117.570 118.700 -0.453 0.000 2.284 395 N HA 0.314 5.054 4.740 -0.000 0.000 0.289 395 N C -1.952 173.064 175.510 -0.824 0.000 1.179 395 N CA -0.412 52.253 53.050 -0.642 0.000 0.774 395 N CB 2.076 40.104 38.487 -0.766 0.000 1.548 395 N HN 0.071 nan 8.380 nan 0.000 0.473 396 C N 2.304 121.060 119.300 -0.907 0.000 2.620 396 C HA 0.566 5.026 4.460 -0.000 0.000 0.356 396 C C -1.431 173.048 174.990 -0.853 0.000 1.082 396 C CA -0.752 57.780 59.018 -0.810 0.000 1.293 396 C CB -1.200 26.204 27.740 -0.561 0.000 1.836 396 C HN 0.652 nan 8.230 nan 0.000 0.453 397 F N 5.797 125.379 119.950 -0.613 0.000 2.385 397 F HA 0.500 5.027 4.527 0.000 0.000 0.360 397 F C -0.024 175.371 175.800 -0.674 0.000 1.122 397 F CA -0.510 57.051 58.000 -0.731 0.000 1.090 397 F CB 0.730 38.854 39.000 -1.459 0.000 1.150 397 F HN 0.513 nan 8.300 nan 0.000 0.472 398 Y N 0.789 121.075 120.300 -0.024 0.000 2.376 398 Y HA 0.648 5.198 4.550 -0.000 0.000 0.325 398 Y C 0.989 177.032 175.900 0.237 0.000 1.199 398 Y CA -0.002 58.141 58.100 0.071 0.000 1.206 398 Y CB 1.929 40.426 38.460 0.060 0.000 1.229 398 Y HN 0.724 nan 8.280 nan 0.000 0.480 399 G N -0.487 108.547 108.800 0.391 0.000 4.003 399 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.204 399 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.204 399 G C -0.428 174.589 174.900 0.195 0.000 1.077 399 G CA -0.629 44.658 45.100 0.313 0.000 0.872 399 G HN 0.537 nan 8.290 nan 0.000 0.350 400 H N 2.035 121.281 119.070 0.293 0.000 2.928 400 H HA 0.344 4.899 4.556 -0.000 0.000 0.338 400 H C 1.629 177.047 175.328 0.150 0.000 1.047 400 H CA 1.143 57.310 56.048 0.198 0.000 1.435 400 H CB 1.680 31.554 29.762 0.187 0.000 1.428 400 H HN 0.402 nan 8.280 nan 0.000 0.590 401 S N 2.013 117.866 115.700 0.255 0.000 2.556 401 S HA 0.126 4.595 4.470 -0.000 0.000 0.216 401 S C 0.508 175.192 174.600 0.140 0.000 0.970 401 S CA -0.218 58.083 58.200 0.168 0.000 0.912 401 S CB 0.797 64.075 63.200 0.129 0.000 0.790 401 S HN 0.621 nan 8.310 nan 0.000 0.504 402 Q N 0.343 120.231 119.800 0.147 0.000 2.687 402 Q HA 0.480 4.819 4.340 -0.000 0.000 0.305 402 Q C -1.065 174.967 176.000 0.054 0.000 1.006 402 Q CA -0.925 54.932 55.803 0.090 0.000 0.763 402 Q CB 1.502 30.288 28.738 0.080 0.000 1.506 402 Q HN 0.156 nan 8.270 nan 0.000 0.459 403 S N 0.858 116.571 115.700 0.020 0.000 2.558 403 S HA 0.064 4.534 4.470 -0.000 0.000 0.291 403 S C 0.105 174.662 174.600 -0.072 0.000 1.306 403 S CA 0.135 58.325 58.200 -0.017 0.000 1.056 403 S CB -0.070 63.115 63.200 -0.026 0.000 0.836 403 S HN 0.258 nan 8.310 nan 0.000 0.504 404 I N 3.457 123.967 120.570 -0.099 0.000 2.352 404 I HA 0.078 4.248 4.170 -0.000 0.000 0.290 404 I C 1.286 177.350 176.117 -0.088 0.000 1.036 404 I CA -0.359 60.844 61.300 -0.161 0.000 1.336 404 I CB 1.184 39.102 38.000 -0.137 0.000 1.407 404 I HN 0.594 nan 8.210 nan 0.000 0.497 405 V N 1.809 121.681 119.914 -0.069 0.000 2.878 405 V HA 0.205 4.325 4.120 -0.000 0.000 0.250 405 V C 0.706 176.804 176.094 0.006 0.000 1.075 405 V CA 0.696 62.977 62.300 -0.031 0.000 1.096 405 V CB 0.059 31.875 31.823 -0.011 0.000 0.724 405 V HN 0.659 nan 8.190 nan 0.000 0.467 406 S N -0.496 115.227 115.700 0.039 0.000 2.550 406 S HA 0.907 5.377 4.470 -0.000 0.000 0.270 406 S C -0.685 173.997 174.600 0.137 0.000 1.145 406 S CA -0.008 58.254 58.200 0.103 0.000 0.852 406 S CB 1.912 65.202 63.200 0.149 0.000 1.119 406 S HN 1.198 nan 8.310 nan 0.000 0.465 407 A N 1.238 124.144 122.820 0.143 0.000 2.589 407 A HA 0.892 5.212 4.320 -0.000 0.000 0.296 407 A C -0.979 176.666 177.584 0.100 0.000 1.062 407 A CA -0.630 51.466 52.037 0.098 0.000 0.686 407 A CB 1.613 20.627 19.000 0.024 0.000 1.282 407 A HN 0.647 nan 8.150 nan 0.000 0.404 408 S N -0.506 115.220 115.700 0.044 0.000 2.579 408 S HA 0.660 5.130 4.470 -0.000 0.000 0.272 408 S C -1.363 173.219 174.600 -0.031 0.000 1.141 408 S CA -0.477 57.774 58.200 0.084 0.000 0.843 408 S CB 0.797 64.138 63.200 0.234 0.000 1.122 408 S HN 0.643 nan 8.310 nan 0.000 0.468 409 W N 1.158 122.508 121.300 0.084 0.000 2.218 409 W HA 0.515 5.174 4.660 -0.000 0.000 0.326 409 W C -0.428 176.106 176.519 0.025 0.000 1.276 409 W CA -0.268 57.107 57.345 0.050 0.000 1.210 409 W CB 0.688 30.170 29.460 0.038 0.000 1.143 409 W HN 0.263 nan 8.180 nan 0.000 0.563 410 V N 5.004 125.080 119.914 0.271 0.000 2.289 410 V HA 0.586 4.705 4.120 -0.000 0.000 0.272 410 V C 0.705 176.896 176.094 0.162 0.000 1.026 410 V CA -0.026 62.358 62.300 0.140 0.000 0.807 410 V CB 0.134 31.982 31.823 0.042 0.000 1.044 410 V HN 1.002 nan 8.190 nan 0.000 0.443 411 G N 4.651 113.530 108.800 0.132 0.000 2.539 411 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.256 411 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.256 411 G C 0.127 175.086 174.900 0.098 0.000 1.233 411 G CA 0.433 45.579 45.100 0.077 0.000 0.936 411 G HN 0.538 nan 8.290 nan 0.000 0.571 412 D N 0.453 120.879 120.400 0.044 0.000 2.407 412 D HA 0.192 4.832 4.640 -0.000 0.000 0.208 412 D C 1.053 177.428 176.300 0.126 0.000 1.083 412 D CA 0.718 54.707 54.000 -0.019 0.000 0.844 412 D CB 0.301 41.043 40.800 -0.097 0.000 0.967 412 D HN 0.415 nan 8.370 nan 0.000 0.506 413 D N 0.316 120.815 120.400 0.165 0.000 2.433 413 D HA 0.140 4.780 4.640 -0.000 0.000 0.211 413 D C 0.314 176.730 176.300 0.194 0.000 1.114 413 D CA 0.162 54.267 54.000 0.174 0.000 0.837 413 D CB 1.495 42.351 40.800 0.094 0.000 0.984 413 D HN 0.123 nan 8.370 nan 0.000 0.505 414 K N 0.364 120.900 120.400 0.226 0.000 2.512 414 K HA 0.599 4.918 4.320 -0.000 0.000 0.263 414 K C -0.865 175.792 176.600 0.095 0.000 0.966 414 K CA -0.979 55.383 56.287 0.124 0.000 0.851 414 K CB 3.434 35.963 32.500 0.049 0.000 1.395 414 K HN -0.170 nan 8.250 nan 0.000 0.440 415 V N -1.520 118.371 119.914 -0.039 0.000 3.007 415 V HA 0.715 4.835 4.120 -0.000 0.000 0.311 415 V C -0.908 175.166 176.094 -0.032 0.000 1.120 415 V CA -0.933 61.275 62.300 -0.154 0.000 0.980 415 V CB 1.896 33.486 31.823 -0.389 0.000 1.033 415 V HN 0.857 nan 8.190 nan 0.000 0.429 416 I N 2.604 123.111 120.570 -0.106 0.000 2.647 416 I HA 0.864 5.033 4.170 -0.000 0.000 0.295 416 I C -0.247 175.800 176.117 -0.117 0.000 1.078 416 I CA -0.097 61.091 61.300 -0.186 0.000 1.048 416 I CB 2.310 39.998 38.000 -0.520 0.000 1.239 416 I HN 1.163 nan 8.210 nan 0.000 0.421 417 S N 5.636 121.359 115.700 0.038 0.000 2.588 417 S HA 0.810 5.280 4.470 -0.000 0.000 0.275 417 S C -0.826 173.897 174.600 0.205 0.000 1.130 417 S CA -0.732 57.576 58.200 0.179 0.000 0.855 417 S CB 1.416 64.844 63.200 0.381 0.000 1.116 417 S HN 0.916 nan 8.310 nan 0.000 0.472 418 C N -0.196 119.189 119.300 0.141 0.000 2.994 418 C HA 0.992 5.452 4.460 -0.000 0.000 0.304 418 C C -0.104 174.813 174.990 -0.122 0.000 1.273 418 C CA -0.496 58.578 59.018 0.093 0.000 1.537 418 C CB 0.902 28.748 27.740 0.176 0.000 2.001 418 C HN 1.179 nan 8.230 nan 0.000 0.471 419 S N 1.210 116.837 115.700 -0.122 0.000 2.685 419 S HA 0.553 5.022 4.470 -0.000 0.000 0.282 419 S C 0.571 175.173 174.600 0.004 0.000 1.159 419 S CA -0.660 57.442 58.200 -0.163 0.000 0.833 419 S CB 1.551 64.508 63.200 -0.404 0.000 1.151 419 S HN 0.770 nan 8.310 nan 0.000 0.485 420 M N 1.947 121.563 119.600 0.027 0.000 2.549 420 M HA 0.009 4.489 4.480 -0.000 0.000 0.260 420 M C 0.864 177.234 176.300 0.115 0.000 1.076 420 M CA 1.041 56.399 55.300 0.096 0.000 1.090 420 M CB -1.579 31.069 32.600 0.079 0.000 1.418 420 M HN 0.793 nan 8.290 nan 0.000 0.486 421 D N -0.854 119.617 120.400 0.118 0.000 2.363 421 D HA 0.110 4.749 4.640 -0.000 0.000 0.226 421 D C 1.335 177.735 176.300 0.167 0.000 1.020 421 D CA 0.854 54.943 54.000 0.148 0.000 0.892 421 D CB -0.530 40.380 40.800 0.184 0.000 0.900 421 D HN 0.419 nan 8.370 nan 0.000 0.531 422 G N -0.160 108.745 108.800 0.175 0.000 2.148 422 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 422 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 422 G C 0.284 175.340 174.900 0.261 0.000 0.981 422 G CA 0.558 45.805 45.100 0.245 0.000 0.670 422 G HN 0.922 nan 8.290 nan 0.000 0.528 423 S N -1.363 114.464 115.700 0.211 0.000 2.621 423 S HA 0.831 5.301 4.470 -0.000 0.000 0.302 423 S C -0.446 174.259 174.600 0.175 0.000 1.093 423 S CA -0.474 57.833 58.200 0.177 0.000 1.017 423 S CB 3.126 66.408 63.200 0.136 0.000 1.077 423 S HN 0.994 nan 8.310 nan 0.000 0.517 424 V N 2.223 122.154 119.914 0.029 0.000 2.448 424 V HA 0.580 4.700 4.120 -0.000 0.000 0.295 424 V C -0.264 175.718 176.094 -0.186 0.000 1.025 424 V CA -0.659 61.612 62.300 -0.048 0.000 0.859 424 V CB 1.326 33.005 31.823 -0.240 0.000 0.988 424 V HN 0.915 nan 8.190 nan 0.000 0.431 425 R N 3.819 124.199 120.500 -0.200 0.000 2.561 425 R HA 0.653 4.993 4.340 -0.000 0.000 0.297 425 R C -1.463 174.422 176.300 -0.693 0.000 0.969 425 R CA -0.855 54.904 56.100 -0.569 0.000 0.879 425 R CB 2.421 32.199 30.300 -0.870 0.000 1.178 425 R HN 0.534 nan 8.270 nan 0.000 0.445 426 L N 3.372 124.150 121.223 -0.741 0.000 2.296 426 L HA 0.529 4.869 4.340 -0.000 0.000 0.286 426 L C -1.607 174.856 176.870 -0.678 0.000 1.023 426 L CA -0.319 54.199 54.840 -0.538 0.000 0.812 426 L CB 0.672 42.532 42.059 -0.333 0.000 1.223 426 L HN 0.530 nan 8.230 nan 0.000 0.421 427 W N 3.034 124.102 121.300 -0.387 0.000 2.627 427 W HA 0.650 5.310 4.660 0.000 0.000 0.339 427 W C -0.030 176.243 176.519 -0.409 0.000 1.058 427 W CA -0.778 56.221 57.345 -0.577 0.000 1.223 427 W CB 1.728 30.486 29.460 -1.169 0.000 1.389 427 W HN 0.514 nan 8.180 nan 0.000 0.541 428 S N 2.232 117.881 115.700 -0.085 0.000 2.433 428 S HA 0.316 4.786 4.470 -0.000 0.000 0.310 428 S C 0.391 175.083 174.600 0.152 0.000 1.097 428 S CA -0.493 57.722 58.200 0.026 0.000 1.103 428 S CB 0.597 63.812 63.200 0.026 0.000 0.992 428 S HN 0.497 nan 8.310 nan 0.000 0.469 429 L N 5.683 127.025 121.223 0.200 0.000 2.131 429 L HA 0.213 4.552 4.340 -0.000 0.000 0.206 429 L C 2.328 179.303 176.870 0.174 0.000 1.087 429 L CA 1.557 56.560 54.840 0.273 0.000 0.767 429 L CB -0.365 41.848 42.059 0.257 0.000 0.917 429 L HN 0.649 nan 8.230 nan 0.000 0.441 430 K N -0.791 119.682 120.400 0.122 0.000 2.147 430 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 430 K C 1.581 178.226 176.600 0.076 0.000 1.049 430 K CA 0.905 57.241 56.287 0.081 0.000 0.936 430 K CB 0.015 32.550 32.500 0.058 0.000 0.722 430 K HN 0.239 nan 8.250 nan 0.000 0.446 431 Q N 0.117 119.971 119.800 0.091 0.000 2.247 431 Q HA 0.025 4.365 4.340 -0.000 0.000 0.211 431 Q C -0.366 175.709 176.000 0.124 0.000 0.861 431 Q CA 0.008 55.861 55.803 0.083 0.000 0.949 431 Q CB 0.291 29.065 28.738 0.059 0.000 1.115 431 Q HN 0.241 nan 8.270 nan 0.000 0.507 432 N N 1.031 119.849 118.700 0.197 0.000 2.688 432 N HA -0.176 4.564 4.740 -0.000 0.000 0.258 432 N C -1.353 174.358 175.510 0.335 0.000 1.016 432 N CA 1.274 54.511 53.050 0.310 0.000 0.747 432 N CB -0.867 37.715 38.487 0.159 0.000 0.895 432 N HN 0.247 nan 8.380 nan 0.000 0.543 433 T N -0.320 114.416 114.554 0.302 0.000 2.786 433 T HA 0.431 4.781 4.350 -0.000 0.000 0.316 433 T C -1.469 173.291 174.700 0.100 0.000 1.503 433 T CA -0.655 61.577 62.100 0.219 0.000 1.019 433 T CB 0.430 69.366 68.868 0.113 0.000 1.415 433 T HN 0.328 nan 8.240 nan 0.000 0.496 434 L N 3.944 125.186 121.223 0.032 0.000 2.418 434 L HA 0.418 4.758 4.340 -0.000 0.000 0.274 434 L C 0.778 177.499 176.870 -0.249 0.000 1.135 434 L CA 0.032 54.690 54.840 -0.304 0.000 0.870 434 L CB 0.581 42.387 42.059 -0.421 0.000 1.154 434 L HN 0.735 nan 8.230 nan 0.000 0.462 435 L N 5.438 126.481 121.223 -0.300 0.000 2.202 435 L HA 0.574 4.914 4.340 -0.000 0.000 0.205 435 L C 0.575 177.319 176.870 -0.210 0.000 1.083 435 L CA 1.314 56.035 54.840 -0.198 0.000 0.790 435 L CB -0.191 41.771 42.059 -0.162 0.000 0.942 435 L HN 0.788 nan 8.230 nan 0.000 0.452 436 A N -0.882 121.758 122.820 -0.300 0.000 2.608 436 A HA 0.659 4.979 4.320 -0.000 0.000 0.292 436 A C -1.734 175.649 177.584 -0.335 0.000 1.066 436 A CA -0.156 51.729 52.037 -0.252 0.000 0.676 436 A CB 0.925 19.818 19.000 -0.179 0.000 1.277 436 A HN 0.349 nan 8.150 nan 0.000 0.413 437 L N -2.066 119.003 121.223 -0.257 0.000 2.582 437 L HA 0.965 5.305 4.340 -0.000 0.000 0.257 437 L C -1.006 175.756 176.870 -0.179 0.000 0.974 437 L CA -0.529 54.149 54.840 -0.270 0.000 0.851 437 L CB 1.914 43.798 42.059 -0.291 0.000 1.424 437 L HN 0.595 nan 8.230 nan 0.000 0.412 438 S N 2.163 117.752 115.700 -0.185 0.000 2.540 438 S HA 0.832 5.302 4.470 -0.000 0.000 0.275 438 S C -1.080 173.513 174.600 -0.012 0.000 1.123 438 S CA -0.573 57.570 58.200 -0.095 0.000 0.907 438 S CB 2.104 65.200 63.200 -0.174 0.000 1.081 438 S HN 0.768 nan 8.310 nan 0.000 0.476 439 I N 1.709 122.321 120.570 0.071 0.000 2.827 439 I HA 0.584 4.754 4.170 -0.000 0.000 0.298 439 I C -1.761 174.433 176.117 0.127 0.000 1.235 439 I CA -0.799 60.577 61.300 0.127 0.000 1.021 439 I CB 1.805 39.854 38.000 0.080 0.000 1.259 439 I HN 0.423 nan 8.210 nan 0.000 0.427 440 V N 6.362 126.373 119.914 0.162 0.000 2.276 440 V HA 0.189 4.308 4.120 -0.000 0.000 0.268 440 V C -0.639 175.497 176.094 0.069 0.000 1.032 440 V CA -0.763 61.552 62.300 0.026 0.000 0.810 440 V CB 0.819 32.502 31.823 -0.235 0.000 1.060 440 V HN 0.775 nan 8.190 nan 0.000 0.446 441 D N 3.312 123.743 120.400 0.052 0.000 2.658 441 D HA 0.033 4.673 4.640 -0.000 0.000 0.230 441 D C 1.218 177.551 176.300 0.055 0.000 1.118 441 D CA 1.132 55.166 54.000 0.058 0.000 0.848 441 D CB 1.012 41.834 40.800 0.038 0.000 1.160 441 D HN 0.865 nan 8.370 nan 0.000 0.497 442 G N 1.442 110.287 108.800 0.076 0.000 2.184 442 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.264 442 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.264 442 G C 0.186 175.140 174.900 0.090 0.000 0.975 442 G CA 0.316 45.461 45.100 0.074 0.000 0.642 442 G HN 0.714 nan 8.290 nan 0.000 0.536 443 V N 2.172 122.155 119.914 0.115 0.000 2.293 443 V HA 0.415 4.535 4.120 -0.000 0.000 0.275 443 V C -1.805 174.441 176.094 0.254 0.000 1.021 443 V CA -1.666 60.725 62.300 0.152 0.000 0.815 443 V CB 1.618 33.499 31.823 0.097 0.000 1.025 443 V HN 0.074 nan 8.190 nan 0.000 0.448 444 P HA 0.202 nan 4.420 nan 0.000 0.267 444 P C -0.340 176.997 177.300 0.061 0.000 1.200 444 P CA 0.165 63.359 63.100 0.156 0.000 0.772 444 P CB 0.710 32.538 31.700 0.213 0.000 0.855 445 I N 2.746 123.335 120.570 0.033 0.000 2.359 445 I HA 0.231 4.401 4.170 -0.000 0.000 0.294 445 I C 1.049 177.265 176.117 0.166 0.000 0.987 445 I CA -0.202 61.010 61.300 -0.146 0.000 1.225 445 I CB 0.974 38.813 38.000 -0.269 0.000 1.366 445 I HN 0.450 nan 8.210 nan 0.000 0.466 446 F N 4.138 124.032 119.950 -0.092 0.000 2.619 446 F HA 0.400 4.926 4.527 -0.000 0.000 0.293 446 F C 1.037 176.796 175.800 -0.068 0.000 1.119 446 F CA -0.246 57.715 58.000 -0.065 0.000 1.445 446 F CB 0.537 39.528 39.000 -0.014 0.000 1.119 446 F HN 0.555 nan 8.300 nan 0.000 0.573 447 A N -0.130 122.752 122.820 0.104 0.000 2.594 447 A HA 0.638 4.958 4.320 -0.000 0.000 0.296 447 A C -0.997 176.561 177.584 -0.044 0.000 1.061 447 A CA -0.251 51.807 52.037 0.036 0.000 0.689 447 A CB 0.940 19.971 19.000 0.052 0.000 1.280 447 A HN 0.098 nan 8.150 nan 0.000 0.406 448 G N 0.979 109.753 108.800 -0.042 0.000 2.638 448 G HA2 0.679 4.639 3.960 -0.000 0.000 0.302 448 G HA3 0.679 4.639 3.960 -0.000 0.000 0.302 448 G C -1.323 173.451 174.900 -0.210 0.000 1.365 448 G CA -0.657 44.303 45.100 -0.235 0.000 0.987 448 G HN 0.607 nan 8.290 nan 0.000 0.495 449 R N 1.151 121.416 120.500 -0.391 0.000 2.574 449 R HA 0.402 4.742 4.340 -0.000 0.000 0.288 449 R C -1.414 175.005 176.300 0.198 0.000 1.004 449 R CA -0.877 55.252 56.100 0.047 0.000 0.895 449 R CB 2.541 32.980 30.300 0.232 0.000 1.191 449 R HN 0.526 nan 8.270 nan 0.000 0.444 450 I N 1.671 122.447 120.570 0.344 0.000 2.440 450 I HA 0.163 4.333 4.170 -0.000 0.000 0.294 450 I C 0.571 176.568 176.117 -0.200 0.000 0.995 450 I CA 0.242 61.715 61.300 0.288 0.000 1.306 450 I CB 1.343 39.529 38.000 0.309 0.000 1.407 450 I HN 0.745 nan 8.210 nan 0.000 0.501 451 S N 4.696 119.978 115.700 -0.697 0.000 2.600 451 S HA 0.114 4.583 4.470 -0.000 0.000 0.265 451 S C 0.890 175.182 174.600 -0.514 0.000 1.325 451 S CA -0.071 57.377 58.200 -1.254 0.000 1.002 451 S CB 0.955 63.240 63.200 -1.524 0.000 0.921 451 S HN 0.751 nan 8.310 nan 0.000 0.554 452 Q N 1.101 120.653 119.800 -0.412 0.000 2.096 452 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 452 Q C 1.303 177.205 176.000 -0.163 0.000 0.982 452 Q CA 2.401 58.087 55.803 -0.194 0.000 0.850 452 Q CB -0.507 28.141 28.738 -0.150 0.000 0.901 452 Q HN 0.944 nan 8.270 nan 0.000 0.422 453 D N -1.786 118.486 120.400 -0.213 0.000 2.349 453 D HA 0.068 4.708 4.640 -0.000 0.000 0.224 453 D C 1.049 177.271 176.300 -0.129 0.000 1.029 453 D CA 0.778 54.687 54.000 -0.152 0.000 0.879 453 D CB -0.478 40.230 40.800 -0.154 0.000 0.906 453 D HN 0.452 nan 8.370 nan 0.000 0.528 454 G N 0.383 109.095 108.800 -0.147 0.000 2.168 454 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.257 454 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.257 454 G C 0.935 175.788 174.900 -0.079 0.000 0.997 454 G CA 0.524 45.576 45.100 -0.080 0.000 0.708 454 G HN 0.408 nan 8.290 nan 0.000 0.520 455 Q N -1.036 118.682 119.800 -0.137 0.000 2.319 455 Q HA 0.153 4.492 4.340 -0.000 0.000 0.209 455 Q C 0.720 176.654 176.000 -0.111 0.000 0.884 455 Q CA 0.701 56.435 55.803 -0.116 0.000 0.938 455 Q CB 0.665 29.320 28.738 -0.139 0.000 1.098 455 Q HN 0.494 nan 8.270 nan 0.000 0.517 456 K N 0.077 120.395 120.400 -0.137 0.000 2.464 456 K HA 0.360 4.680 4.320 -0.000 0.000 0.253 456 K C -1.515 175.212 176.600 0.212 0.000 0.933 456 K CA -0.853 55.432 56.287 -0.005 0.000 0.801 456 K CB 2.155 34.599 32.500 -0.094 0.000 1.271 456 K HN -0.122 nan 8.250 nan 0.000 0.430 457 Y N 0.568 121.026 120.300 0.265 0.000 2.338 457 Y HA 0.505 5.055 4.550 -0.000 0.000 0.333 457 Y C -1.106 175.066 175.900 0.453 0.000 0.968 457 Y CA -0.786 57.522 58.100 0.347 0.000 1.123 457 Y CB 1.670 40.274 38.460 0.239 0.000 1.165 457 Y HN 0.707 nan 8.280 nan 0.000 0.452 458 A N 5.525 128.416 122.820 0.120 0.000 2.304 458 A HA 0.781 5.101 4.320 -0.000 0.000 0.323 458 A C -1.166 176.273 177.584 -0.242 0.000 1.195 458 A CA -0.355 51.660 52.037 -0.038 0.000 0.826 458 A CB 0.434 19.275 19.000 -0.265 0.000 1.184 458 A HN 0.968 nan 8.150 nan 0.000 0.496 459 V N -0.690 119.160 119.914 -0.106 0.000 2.823 459 V HA 0.932 5.052 4.120 -0.000 0.000 0.312 459 V C -0.031 175.961 176.094 -0.170 0.000 1.072 459 V CA -0.552 61.642 62.300 -0.176 0.000 0.937 459 V CB 1.426 33.146 31.823 -0.171 0.000 1.013 459 V HN 1.591 nan 8.190 nan 0.000 0.430 460 A N 3.643 126.345 122.820 -0.196 0.000 2.273 460 A HA 0.853 5.173 4.320 -0.000 0.000 0.315 460 A C -0.792 176.667 177.584 -0.207 0.000 1.256 460 A CA -0.400 51.573 52.037 -0.106 0.000 0.851 460 A CB 0.192 19.170 19.000 -0.036 0.000 1.172 460 A HN 0.734 nan 8.150 nan 0.000 0.508 461 F N 1.477 121.389 119.950 -0.064 0.000 2.370 461 F HA 0.293 4.820 4.527 -0.000 0.000 0.324 461 F C 1.743 177.355 175.800 -0.312 0.000 1.116 461 F CA -0.286 57.630 58.000 -0.141 0.000 1.123 461 F CB 1.241 40.206 39.000 -0.059 0.000 1.238 461 F HN 0.728 nan 8.300 nan 0.000 0.536 462 M N 1.187 120.589 119.600 -0.329 0.000 2.358 462 M HA -0.170 4.309 4.480 -0.000 0.000 0.264 462 M C 1.254 177.555 176.300 0.001 0.000 1.064 462 M CA 1.621 56.580 55.300 -0.567 0.000 1.093 462 M CB -0.210 32.091 32.600 -0.499 0.000 1.401 462 M HN 0.694 nan 8.290 nan 0.000 0.440 463 D N -1.057 119.375 120.400 0.054 0.000 2.328 463 D HA 0.126 4.766 4.640 -0.000 0.000 0.226 463 D C 1.243 177.581 176.300 0.062 0.000 1.066 463 D CA 0.817 54.853 54.000 0.061 0.000 0.861 463 D CB -0.537 40.272 40.800 0.015 0.000 0.912 463 D HN 0.516 nan 8.370 nan 0.000 0.521 464 G N -0.007 108.854 108.800 0.101 0.000 2.157 464 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.248 464 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.248 464 G C 0.001 174.966 174.900 0.109 0.000 0.979 464 G CA 0.229 45.406 45.100 0.129 0.000 0.650 464 G HN 0.633 nan 8.290 nan 0.000 0.529 465 Q N 0.116 119.983 119.800 0.112 0.000 2.230 465 Q HA 0.620 4.960 4.340 -0.000 0.000 0.253 465 Q C -0.420 175.715 176.000 0.225 0.000 0.919 465 Q CA -0.692 55.177 55.803 0.110 0.000 0.908 465 Q CB 1.663 30.414 28.738 0.022 0.000 1.245 465 Q HN 0.213 nan 8.270 nan 0.000 0.437 466 V N 4.403 124.425 119.914 0.179 0.000 2.417 466 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 466 V C -0.506 175.666 176.094 0.129 0.000 1.024 466 V CA -0.651 61.740 62.300 0.151 0.000 0.861 466 V CB 1.526 33.399 31.823 0.084 0.000 0.985 466 V HN 0.847 nan 8.190 nan 0.000 0.436 467 N N 2.710 121.504 118.700 0.158 0.000 2.362 467 N HA 0.643 5.383 4.740 -0.000 0.000 0.298 467 N C -1.286 174.157 175.510 -0.111 0.000 1.048 467 N CA -0.560 52.489 53.050 -0.002 0.000 0.858 467 N CB 2.458 40.990 38.487 0.075 0.000 1.218 467 N HN 0.398 nan 8.380 nan 0.000 0.488 468 V N 3.316 123.128 119.914 -0.170 0.000 2.384 468 V HA 0.321 4.440 4.120 -0.000 0.000 0.287 468 V C -0.933 175.110 176.094 -0.085 0.000 1.020 468 V CA -0.581 61.720 62.300 0.002 0.000 0.850 468 V CB 0.289 32.205 31.823 0.154 0.000 0.987 468 V HN 0.561 nan 8.190 nan 0.000 0.436 469 Y N 1.968 122.422 120.300 0.256 0.000 2.361 469 Y HA 0.490 5.040 4.550 -0.000 0.000 0.332 469 Y C 0.297 176.290 175.900 0.156 0.000 1.101 469 Y CA -0.756 57.472 58.100 0.214 0.000 1.137 469 Y CB 1.276 39.866 38.460 0.217 0.000 1.207 469 Y HN 0.598 nan 8.280 nan 0.000 0.463 470 D N 2.588 123.136 120.400 0.245 0.000 2.280 470 D HA 0.288 4.927 4.640 -0.000 0.000 0.236 470 D C -0.104 176.244 176.300 0.080 0.000 1.082 470 D CA -0.100 53.947 54.000 0.077 0.000 0.834 470 D CB 0.918 41.745 40.800 0.045 0.000 1.100 470 D HN 0.570 nan 8.370 nan 0.000 0.486 471 L N 3.530 124.772 121.223 0.031 0.000 2.693 471 L HA 0.193 4.533 4.340 -0.000 0.000 0.235 471 L C 2.194 179.056 176.870 -0.013 0.000 1.127 471 L CA -0.316 54.532 54.840 0.012 0.000 0.914 471 L CB -0.037 42.025 42.059 0.005 0.000 1.193 471 L HN 0.405 nan 8.230 nan 0.000 0.502 472 K N 1.210 121.593 120.400 -0.028 0.000 2.015 472 K HA -0.235 4.085 4.320 -0.000 0.000 0.216 472 K C 1.988 178.581 176.600 -0.013 0.000 1.052 472 K CA 1.678 57.947 56.287 -0.031 0.000 0.937 472 K CB 0.187 32.661 32.500 -0.043 0.000 0.719 472 K HN 0.057 nan 8.250 nan 0.000 0.446 473 K N 0.723 121.122 120.400 -0.000 0.000 2.097 473 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 473 K C 2.176 178.775 176.600 -0.002 0.000 1.049 473 K CA 1.148 57.437 56.287 0.004 0.000 0.933 473 K CB -0.399 32.110 32.500 0.016 0.000 0.717 473 K HN 0.295 nan 8.250 nan 0.000 0.442 474 L N 1.316 122.535 121.223 -0.007 0.000 2.275 474 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 474 L C 1.594 178.453 176.870 -0.017 0.000 1.119 474 L CA 0.836 55.666 54.840 -0.018 0.000 0.790 474 L CB -0.268 41.773 42.059 -0.030 0.000 0.919 474 L HN 0.171 nan 8.230 nan 0.000 0.443 475 N N -0.837 117.855 118.700 -0.014 0.000 2.392 475 N HA -0.005 4.735 4.740 -0.000 0.000 0.177 475 N C 1.052 176.557 175.510 -0.008 0.000 1.066 475 N CA 0.468 53.511 53.050 -0.011 0.000 0.895 475 N CB 0.111 38.590 38.487 -0.014 0.000 0.988 475 N HN 0.290 nan 8.380 nan 0.000 0.457 492 L N 2.597 123.770 121.223 -0.083 0.000 2.461 492 L HA 0.345 4.685 4.340 -0.000 0.000 0.272 492 L C -1.899 174.928 176.870 -0.073 0.000 1.197 492 L CA -1.381 53.420 54.840 -0.064 0.000 0.836 492 L CB 0.157 42.179 42.059 -0.060 0.000 1.105 492 L HN -0.030 nan 8.230 nan 0.000 0.477 493 P HA 0.276 nan 4.420 nan 0.000 0.284 493 P C -0.876 176.413 177.300 -0.018 0.000 1.258 493 P CA -0.439 62.644 63.100 -0.029 0.000 0.824 493 P CB 1.330 33.034 31.700 0.006 0.000 1.038 494 I N 3.201 123.760 120.570 -0.019 0.000 2.312 494 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 494 I C -2.050 174.184 176.117 0.195 0.000 1.031 494 I CA -2.557 58.757 61.300 0.024 0.000 1.293 494 I CB 0.819 38.752 38.000 -0.113 0.000 1.403 494 I HN 0.093 nan 8.210 nan 0.000 0.484 495 P HA -0.055 nan 4.420 nan 0.000 0.262 495 P C -0.571 176.893 177.300 0.275 0.000 1.182 495 P CA -0.230 62.985 63.100 0.191 0.000 0.761 495 P CB 0.392 32.175 31.700 0.137 0.000 0.795 496 L N 5.231 126.560 121.223 0.177 0.000 2.278 496 L HA 0.183 4.523 4.340 -0.000 0.000 0.287 496 L C 0.577 177.446 176.870 -0.002 0.000 1.072 496 L CA -0.096 54.748 54.840 0.005 0.000 0.819 496 L CB -0.080 41.952 42.059 -0.044 0.000 1.176 496 L HN 0.334 nan 8.230 nan 0.000 0.435 497 Y N 5.358 125.572 120.300 -0.143 0.000 2.269 497 Y HA 0.539 5.089 4.550 -0.000 0.000 0.294 497 Y C 0.678 176.452 175.900 -0.210 0.000 1.120 497 Y CA 0.648 58.664 58.100 -0.140 0.000 1.159 497 Y CB 0.385 38.811 38.460 -0.056 0.000 1.024 497 Y HN 0.675 nan 8.280 nan 0.000 0.532 498 A N -1.162 121.553 122.820 -0.175 0.000 2.601 498 A HA 0.714 5.034 4.320 -0.000 0.000 0.291 498 A C -1.106 176.399 177.584 -0.132 0.000 1.075 498 A CA -0.389 51.505 52.037 -0.238 0.000 0.671 498 A CB 0.857 19.719 19.000 -0.230 0.000 1.277 498 A HN 0.006 nan 8.150 nan 0.000 0.417 499 S N -0.620 115.025 115.700 -0.092 0.000 2.546 499 S HA 0.714 5.184 4.470 -0.000 0.000 0.274 499 S C -1.852 172.789 174.600 0.069 0.000 1.121 499 S CA -0.333 57.851 58.200 -0.026 0.000 0.887 499 S CB 1.544 64.710 63.200 -0.056 0.000 1.094 499 S HN 0.978 nan 8.310 nan 0.000 0.474 500 Y N 2.298 122.565 120.300 -0.054 0.000 2.361 500 Y HA 0.721 5.271 4.550 -0.000 0.000 0.337 500 Y C -0.531 175.367 175.900 -0.003 0.000 0.965 500 Y CA -0.203 57.877 58.100 -0.034 0.000 1.091 500 Y CB 1.511 39.945 38.460 -0.043 0.000 1.182 500 Y HN 0.781 nan 8.280 nan 0.000 0.450 501 Q N 3.050 122.574 119.800 -0.459 0.000 2.776 501 Q HA 0.652 4.992 4.340 -0.000 0.000 0.289 501 Q C -1.979 173.813 176.000 -0.348 0.000 0.912 501 Q CA -0.330 55.262 55.803 -0.352 0.000 0.789 501 Q CB 1.546 30.192 28.738 -0.152 0.000 1.498 501 Q HN 0.806 nan 8.270 nan 0.000 0.408 502 S N -0.355 115.197 115.700 -0.247 0.000 2.547 502 S HA 0.565 5.034 4.470 -0.000 0.000 0.270 502 S C -0.476 174.042 174.600 -0.136 0.000 1.150 502 S CA -0.013 58.074 58.200 -0.188 0.000 0.850 502 S CB 0.995 64.069 63.200 -0.210 0.000 1.118 502 S HN 1.199 nan 8.310 nan 0.000 0.461 503 S N 0.535 116.170 115.700 -0.107 0.000 2.634 503 S HA 0.165 4.635 4.470 -0.000 0.000 0.221 503 S C 0.784 175.330 174.600 -0.089 0.000 0.952 503 S CA -0.049 58.098 58.200 -0.088 0.000 0.930 503 S CB -0.208 62.951 63.200 -0.070 0.000 0.780 503 S HN 0.615 nan 8.310 nan 0.000 0.498 504 Q N 1.829 121.566 119.800 -0.105 0.000 2.425 504 Q HA 0.250 4.590 4.340 -0.000 0.000 0.204 504 Q C -0.229 175.700 176.000 -0.119 0.000 0.933 504 Q CA 0.601 56.342 55.803 -0.103 0.000 0.939 504 Q CB 0.141 28.818 28.738 -0.102 0.000 1.044 504 Q HN 0.989 nan 8.270 nan 0.000 0.513 505 D N -2.392 117.927 120.400 -0.135 0.000 2.653 505 D HA 0.140 4.780 4.640 -0.000 0.000 0.258 505 D C -0.547 175.672 176.300 -0.135 0.000 1.252 505 D CA -0.879 53.032 54.000 -0.149 0.000 0.777 505 D CB 0.237 40.913 40.800 -0.207 0.000 1.339 505 D HN -0.099 nan 8.370 nan 0.000 0.422 506 N N 0.435 119.051 118.700 -0.140 0.000 2.351 506 N HA 0.159 4.899 4.740 -0.000 0.000 0.254 506 N C -0.825 174.567 175.510 -0.198 0.000 1.241 506 N CA -0.347 52.620 53.050 -0.138 0.000 0.883 506 N CB 0.267 38.674 38.487 -0.132 0.000 1.202 506 N HN 0.445 nan 8.380 nan 0.000 0.512 507 D N 0.725 121.025 120.400 -0.167 0.000 2.368 507 D HA 0.083 4.723 4.640 -0.000 0.000 0.240 507 D C -0.403 175.890 176.300 -0.012 0.000 1.169 507 D CA 0.072 53.975 54.000 -0.162 0.000 0.906 507 D CB 0.631 41.368 40.800 -0.106 0.000 1.187 507 D HN 0.140 nan 8.370 nan 0.000 0.435 508 Y N 0.558 120.907 120.300 0.080 0.000 2.301 508 Y HA 0.350 4.900 4.550 -0.000 0.000 0.328 508 Y C 0.499 176.410 175.900 0.018 0.000 1.242 508 Y CA -0.783 57.374 58.100 0.096 0.000 1.323 508 Y CB 0.898 39.486 38.460 0.214 0.000 1.266 508 Y HN 0.128 nan 8.280 nan 0.000 0.527 509 I N 2.714 123.423 120.570 0.232 0.000 2.362 509 I HA 0.116 4.286 4.170 -0.000 0.000 0.289 509 I C -0.060 176.280 176.117 0.372 0.000 0.994 509 I CA 0.003 61.308 61.300 0.007 0.000 1.158 509 I CB 0.957 38.869 38.000 -0.146 0.000 1.315 509 I HN 0.783 nan 8.210 nan 0.000 0.451 510 F N 2.753 122.764 119.950 0.103 0.000 2.656 510 F HA 0.148 4.675 4.527 0.000 0.000 0.291 510 F C 0.676 176.501 175.800 0.042 0.000 1.122 510 F CA -0.209 57.852 58.000 0.103 0.000 1.427 510 F CB 0.646 39.684 39.000 0.065 0.000 1.125 510 F HN 0.502 nan 8.300 nan 0.000 0.583 511 D N 0.030 120.543 120.400 0.187 0.000 2.623 511 D HA 0.477 5.117 4.640 -0.000 0.000 0.241 511 D C -1.557 174.752 176.300 0.015 0.000 1.241 511 D CA -0.439 53.616 54.000 0.092 0.000 0.788 511 D CB 1.994 42.854 40.800 0.099 0.000 1.413 511 D HN 0.010 nan 8.370 nan 0.000 0.429 512 L N -0.380 120.846 121.223 0.006 0.000 2.465 512 L HA 0.947 5.287 4.340 -0.000 0.000 0.257 512 L C -1.435 175.449 176.870 0.023 0.000 0.988 512 L CA -0.819 53.996 54.840 -0.042 0.000 0.827 512 L CB 2.024 44.002 42.059 -0.135 0.000 1.397 512 L HN 0.527 nan 8.230 nan 0.000 0.410 513 S N -0.542 115.196 115.700 0.064 0.000 2.533 513 S HA 0.669 5.139 4.470 -0.000 0.000 0.271 513 S C -1.779 172.975 174.600 0.258 0.000 1.143 513 S CA -0.654 57.692 58.200 0.243 0.000 0.891 513 S CB 1.050 64.481 63.200 0.385 0.000 1.105 513 S HN 0.699 nan 8.310 nan 0.000 0.468 514 W N 3.114 124.487 121.300 0.122 0.000 2.376 514 W HA 0.484 5.144 4.660 -0.000 0.000 0.322 514 W C 0.747 177.004 176.519 -0.437 0.000 1.160 514 W CA -0.249 57.007 57.345 -0.149 0.000 1.218 514 W CB 1.028 30.427 29.460 -0.101 0.000 1.205 514 W HN 0.851 nan 8.180 nan 0.000 0.559 515 N N 1.562 119.811 118.700 -0.752 0.000 2.445 515 N HA 0.004 4.744 4.740 -0.000 0.000 0.264 515 N C 1.107 176.467 175.510 -0.249 0.000 1.227 515 N CA -0.274 52.230 53.050 -0.910 0.000 0.963 515 N CB 0.380 37.965 38.487 -1.502 0.000 1.188 515 N HN 0.697 nan 8.380 nan 0.000 0.491 516 C N -1.802 117.420 119.300 -0.130 0.000 2.419 516 C HA 0.197 4.656 4.460 -0.000 0.000 0.283 516 C C 2.261 177.189 174.990 -0.103 0.000 1.373 516 C CA 0.499 59.469 59.018 -0.080 0.000 1.781 516 C CB -1.820 25.887 27.740 -0.055 0.000 1.886 516 C HN 0.748 nan 8.230 nan 0.000 0.520 517 A N 0.249 122.999 122.820 -0.118 0.000 2.169 517 A HA 0.463 4.783 4.320 -0.000 0.000 0.212 517 A C 2.129 179.658 177.584 -0.092 0.000 1.153 517 A CA 1.271 53.253 52.037 -0.093 0.000 0.756 517 A CB -1.120 17.838 19.000 -0.071 0.000 0.813 517 A HN 1.791 nan 8.150 nan 0.000 0.471 518 G N 0.362 109.110 108.800 -0.087 0.000 2.143 518 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.248 518 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.248 518 G C 0.243 175.220 174.900 0.128 0.000 0.991 518 G CA 0.792 45.892 45.100 0.000 0.000 0.689 518 G HN 0.999 nan 8.290 nan 0.000 0.522 519 N N -0.685 118.019 118.700 0.007 0.000 2.205 519 N HA 0.276 5.016 4.740 -0.000 0.000 0.201 519 N C 0.338 175.778 175.510 -0.117 0.000 1.128 519 N CA 0.041 53.089 53.050 -0.004 0.000 0.867 519 N CB 0.516 39.002 38.487 -0.001 0.000 0.996 519 N HN 0.488 nan 8.380 nan 0.000 0.503 520 K N 0.230 120.496 120.400 -0.223 0.000 2.523 520 K HA 0.492 4.812 4.320 -0.000 0.000 0.257 520 K C -1.395 174.960 176.600 -0.407 0.000 0.932 520 K CA -0.502 55.565 56.287 -0.367 0.000 0.812 520 K CB 2.562 34.743 32.500 -0.531 0.000 1.326 520 K HN -0.062 nan 8.250 nan 0.000 0.433 521 I N 0.992 121.376 120.570 -0.311 0.000 2.533 521 I HA 0.201 4.371 4.170 -0.000 0.000 0.290 521 I C -0.609 175.499 176.117 -0.015 0.000 1.056 521 I CA -0.757 60.375 61.300 -0.280 0.000 1.057 521 I CB 2.267 39.914 38.000 -0.588 0.000 1.240 521 I HN 0.463 nan 8.210 nan 0.000 0.423 522 S N 5.338 121.181 115.700 0.240 0.000 2.438 522 S HA 0.579 5.048 4.470 -0.000 0.000 0.293 522 S C -0.703 173.888 174.600 -0.015 0.000 1.141 522 S CA -0.476 57.816 58.200 0.154 0.000 1.080 522 S CB 0.784 64.085 63.200 0.169 0.000 0.978 522 S HN 0.313 nan 8.310 nan 0.000 0.479 523 V N 4.593 124.455 119.914 -0.087 0.000 2.370 523 V HA 0.700 4.820 4.120 -0.000 0.000 0.283 523 V C 0.330 176.327 176.094 -0.161 0.000 1.023 523 V CA -0.787 61.414 62.300 -0.165 0.000 0.857 523 V CB 1.061 32.755 31.823 -0.216 0.000 0.985 523 V HN 1.000 nan 8.190 nan 0.000 0.443 524 A N 5.190 127.912 122.820 -0.163 0.000 2.256 524 A HA 0.746 5.066 4.320 -0.000 0.000 0.317 524 A C -0.891 176.599 177.584 -0.158 0.000 1.318 524 A CA -0.350 51.634 52.037 -0.089 0.000 0.894 524 A CB 0.077 19.077 19.000 -0.000 0.000 1.165 524 A HN 0.713 nan 8.150 nan 0.000 0.525 525 Y N 1.375 121.642 120.300 -0.054 0.000 2.307 525 Y HA 0.243 4.793 4.550 -0.000 0.000 0.324 525 Y C 2.016 177.767 175.900 -0.249 0.000 1.238 525 Y CA 0.673 58.701 58.100 -0.121 0.000 1.280 525 Y CB 1.487 39.892 38.460 -0.092 0.000 1.248 525 Y HN 0.837 nan 8.280 nan 0.000 0.508 526 S N 0.709 116.208 115.700 -0.335 0.000 2.368 526 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 526 S C 1.172 175.667 174.600 -0.174 0.000 1.030 526 S CA 1.545 59.387 58.200 -0.597 0.000 0.999 526 S CB -0.267 62.350 63.200 -0.971 0.000 0.844 526 S HN 0.733 nan 8.310 nan 0.000 0.459 527 L N 0.464 121.633 121.223 -0.089 0.000 2.663 527 L HA 0.266 4.606 4.340 -0.000 0.000 0.218 527 L C 1.478 178.322 176.870 -0.044 0.000 1.043 527 L CA -0.169 54.643 54.840 -0.046 0.000 0.876 527 L CB -0.263 41.767 42.059 -0.048 0.000 1.263 527 L HN 0.420 nan 8.230 nan 0.000 0.486 528 Q N 0.919 120.676 119.800 -0.071 0.000 2.397 528 Q HA 0.200 4.539 4.340 -0.000 0.000 0.193 528 Q C -0.525 175.436 176.000 -0.065 0.000 1.083 528 Q CA -0.600 55.136 55.803 -0.112 0.000 1.108 528 Q CB 0.286 28.878 28.738 -0.243 0.000 1.172 528 Q HN 0.087 nan 8.270 nan 0.000 0.617 529 E N -0.129 120.017 120.200 -0.090 0.000 2.415 529 E HA 0.160 4.510 4.350 -0.000 0.000 0.262 529 E C 0.076 176.699 176.600 0.037 0.000 1.038 529 E CA 0.091 56.463 56.400 -0.047 0.000 0.921 529 E CB 0.418 30.081 29.700 -0.060 0.000 0.950 529 E HN 0.621 nan 8.360 nan 0.000 0.438 530 G N 0.851 109.664 108.800 0.021 0.000 2.634 530 G HA2 0.274 4.234 3.960 -0.000 0.000 0.255 530 G HA3 0.274 4.234 3.960 -0.000 0.000 0.255 530 G C -0.600 174.349 174.900 0.080 0.000 1.205 530 G CA -0.297 44.847 45.100 0.072 0.000 0.884 530 G HN 0.322 nan 8.290 nan 0.000 0.549 531 S N -1.351 114.408 115.700 0.098 0.000 2.572 531 S HA 0.484 4.953 4.470 -0.000 0.000 0.274 531 S C -0.956 173.620 174.600 -0.040 0.000 1.150 531 S CA -0.633 57.607 58.200 0.067 0.000 0.944 531 S CB 1.665 65.005 63.200 0.233 0.000 1.071 531 S HN 0.560 nan 8.310 nan 0.000 0.479 532 V N 5.247 125.123 119.914 -0.064 0.000 2.370 532 V HA 0.603 4.723 4.120 -0.000 0.000 0.283 532 V C 0.134 176.099 176.094 -0.215 0.000 1.023 532 V CA -0.535 61.721 62.300 -0.072 0.000 0.857 532 V CB 1.240 33.073 31.823 0.018 0.000 0.985 532 V HN 0.793 nan 8.190 nan 0.000 0.443 533 V N 2.540 122.265 119.914 -0.314 0.000 2.667 533 V HA 0.989 5.109 4.120 -0.000 0.000 0.308 533 V C 0.204 176.087 176.094 -0.352 0.000 1.048 533 V CA -0.875 61.173 62.300 -0.420 0.000 0.928 533 V CB 1.678 33.084 31.823 -0.696 0.000 1.004 533 V HN 0.960 nan 8.190 nan 0.000 0.444 534 A N 5.107 127.738 122.820 -0.314 0.000 2.331 534 A HA 0.781 5.101 4.320 -0.000 0.000 0.283 534 A C -0.286 177.215 177.584 -0.138 0.000 1.142 534 A CA -0.572 51.312 52.037 -0.253 0.000 0.812 534 A CB 0.246 19.114 19.000 -0.220 0.000 1.074 534 A HN 0.784 nan 8.150 nan 0.000 0.497 535 I N 3.758 124.284 120.570 -0.073 0.000 2.359 535 I HA 0.293 4.463 4.170 -0.000 0.000 0.284 535 I C -2.360 173.826 176.117 0.116 0.000 1.018 535 I CA -2.426 58.899 61.300 0.042 0.000 1.173 535 I CB 0.696 38.768 38.000 0.120 0.000 1.326 535 I HN 0.360 nan 8.210 nan 0.000 0.462 536 P HA 0.182 nan 4.420 nan 0.000 0.269 536 P C 0.523 177.967 177.300 0.239 0.000 1.209 536 P CA -0.011 63.180 63.100 0.153 0.000 0.776 536 P CB 0.797 32.562 31.700 0.108 0.000 0.876 537 G N 0.000 108.907 108.800 0.179 0.000 5.446 537 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 537 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 537 G CA 0.000 45.196 45.100 0.159 0.000 0.502 537 G HN 0.000 nan 8.290 nan 0.000 0.925