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 2uw9_1_A DATA FIRST_RESID 146 DATA SEQUENCE KVTMNDFDYL KLLGKGTFGK VILVREKATG RYYAMKILRK EVIIAKDEVA DATA SEQUENCE HTVTESRVLQ NTRHPFLTAL KYAFQTHDRL CFVMEYANGG ELFFHLSRER DATA SEQUENCE VFTEERARFY GAEIVSALEY LHSRDVVYRD IKLENLMLDK DGHIKITDFG DATA SEQUENCE LCKEGISDGA TMKXFCGTPE YLAPEVLEDN DYGRAVDWWG LGVVMYEMMC DATA SEQUENCE GRLPFYNQDH ERLFELILME EIRFPRTLSP EAKSLLAGLL KKDPKQRLGG DATA SEQUENCE GPSDAKEVME HRFFLSINWQ DVVQKKLLPP FKPQVTSEVD TRYFDDEFTA DATA SEQUENCE QSITXXXXXX XXXXXXXXXX XQEMFEDFDY IADW 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 K HA 0.000 nan 4.320 nan 0.000 0.191 146 K C 0.000 176.436 176.600 -0.273 0.000 0.988 146 K CA 0.000 56.186 56.287 -0.169 0.000 0.838 146 K CB 0.000 32.422 32.500 -0.131 0.000 1.064 147 V N 3.007 122.720 119.914 -0.334 0.000 2.448 147 V HA 0.586 4.706 4.120 -0.000 0.000 0.295 147 V C -0.090 175.543 176.094 -0.768 0.000 1.025 147 V CA -0.227 61.725 62.300 -0.579 0.000 0.859 147 V CB 1.317 32.755 31.823 -0.641 0.000 0.988 147 V HN 0.961 nan 8.190 nan 0.000 0.431 148 T N 1.301 115.457 114.554 -0.663 0.000 2.927 148 T HA 0.541 4.891 4.350 -0.000 0.000 0.286 148 T C 0.794 175.286 174.700 -0.346 0.000 1.040 148 T CA -0.719 61.087 62.100 -0.490 0.000 1.010 148 T CB 1.748 70.475 68.868 -0.235 0.000 1.177 148 T HN 0.341 nan 8.240 nan 0.000 0.546 149 M N 1.135 120.731 119.600 -0.007 0.000 2.159 149 M HA 0.034 4.514 4.480 -0.000 0.000 0.263 149 M C 1.106 177.623 176.300 0.362 0.000 1.063 149 M CA 1.756 57.254 55.300 0.329 0.000 1.110 149 M CB -0.883 31.857 32.600 0.234 0.000 1.374 149 M HN 0.694 nan 8.290 nan 0.000 0.411 150 N N 0.344 119.117 118.700 0.122 0.000 2.434 150 N HA -0.029 4.711 4.740 -0.000 0.000 0.196 150 N C -0.060 175.412 175.510 -0.064 0.000 1.183 150 N CA 0.371 53.467 53.050 0.076 0.000 0.849 150 N CB -0.135 38.359 38.487 0.013 0.000 0.992 150 N HN 0.336 nan 8.380 nan 0.000 0.460 151 D N -0.419 119.841 120.400 -0.234 0.000 2.349 151 D HA 0.036 4.676 4.640 -0.000 0.000 0.224 151 D C -0.478 175.349 176.300 -0.788 0.000 1.029 151 D CA 0.527 54.159 54.000 -0.614 0.000 0.879 151 D CB 0.115 40.315 40.800 -1.000 0.000 0.906 151 D HN 0.179 nan 8.370 nan 0.000 0.528 152 F N 0.588 120.553 119.950 0.025 0.000 2.565 152 F HA 0.298 4.825 4.527 -0.000 0.000 0.313 152 F C 0.370 176.111 175.800 -0.098 0.000 1.091 152 F CA -1.184 56.752 58.000 -0.106 0.000 0.915 152 F CB 1.682 40.516 39.000 -0.276 0.000 1.208 152 F HN -0.383 nan 8.300 nan 0.000 0.453 153 D N 1.218 121.609 120.400 -0.016 0.000 2.175 153 D HA 0.191 4.831 4.640 -0.000 0.000 0.248 153 D C -1.097 175.114 176.300 -0.149 0.000 1.047 153 D CA -0.111 53.910 54.000 0.035 0.000 0.883 153 D CB 1.590 42.402 40.800 0.020 0.000 1.180 153 D HN 0.399 nan 8.370 nan 0.000 0.438 154 Y N 2.022 122.381 120.300 0.099 0.000 2.944 154 Y HA 0.187 4.737 4.550 -0.000 0.000 0.335 154 Y C 1.338 177.270 175.900 0.053 0.000 1.075 154 Y CA -0.406 57.742 58.100 0.080 0.000 1.240 154 Y CB 0.408 38.915 38.460 0.078 0.000 1.167 154 Y HN 0.213 nan 8.280 nan 0.000 0.555 155 L N 1.764 123.036 121.223 0.082 0.000 1.973 155 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 155 L C 0.473 177.375 176.870 0.053 0.000 1.073 155 L CA 1.329 56.206 54.840 0.062 0.000 0.746 155 L CB -0.200 41.882 42.059 0.039 0.000 0.891 155 L HN 0.362 nan 8.230 nan 0.000 0.433 156 K N -0.805 119.605 120.400 0.017 0.000 2.579 156 K HA 0.445 4.765 4.320 -0.000 0.000 0.284 156 K C -1.506 175.095 176.600 0.001 0.000 0.990 156 K CA -1.001 55.298 56.287 0.021 0.000 0.880 156 K CB 1.824 34.330 32.500 0.010 0.000 1.488 156 K HN -0.213 nan 8.250 nan 0.000 0.425 157 L N 2.282 123.530 121.223 0.041 0.000 2.361 157 L HA 0.179 4.519 4.340 -0.000 0.000 0.278 157 L C 0.413 177.296 176.870 0.021 0.000 1.113 157 L CA 0.012 54.886 54.840 0.056 0.000 0.849 157 L CB 0.279 42.414 42.059 0.126 0.000 1.155 157 L HN 0.730 nan 8.230 nan 0.000 0.452 158 L N 4.472 125.656 121.223 -0.065 0.000 2.298 158 L HA 0.453 4.793 4.340 -0.000 0.000 0.209 158 L C 0.995 177.851 176.870 -0.023 0.000 1.084 158 L CA 0.419 55.165 54.840 -0.156 0.000 0.816 158 L CB -0.420 41.413 42.059 -0.377 0.000 0.967 158 L HN 0.796 nan 8.230 nan 0.000 0.460 159 G N -0.212 108.507 108.800 -0.136 0.000 2.368 159 G HA2 0.344 4.304 3.960 -0.000 0.000 0.293 159 G HA3 0.344 4.304 3.960 -0.000 0.000 0.293 159 G C -1.805 172.923 174.900 -0.286 0.000 1.467 159 G CA -0.668 44.131 45.100 -0.502 0.000 0.804 159 G HN -0.175 nan 8.290 nan 0.000 0.535 160 K N -0.592 119.583 120.400 -0.375 0.000 2.375 160 K HA 0.728 5.048 4.320 -0.000 0.000 0.249 160 K C 0.100 176.663 176.600 -0.063 0.000 0.942 160 K CA -0.541 55.697 56.287 -0.083 0.000 0.806 160 K CB 2.625 35.175 32.500 0.085 0.000 1.227 160 K HN 0.802 nan 8.250 nan 0.000 0.430 161 G N -0.428 108.368 108.800 -0.008 0.000 3.211 161 G HA2 0.188 4.148 3.960 -0.000 0.000 0.262 161 G HA3 0.188 4.148 3.960 -0.000 0.000 0.262 161 G C 0.281 175.149 174.900 -0.054 0.000 1.352 161 G CA -0.347 44.750 45.100 -0.005 0.000 1.004 161 G HN 0.463 nan 8.290 nan 0.000 0.559 162 T N 0.092 114.552 114.554 -0.157 0.000 3.055 162 T HA 0.087 4.437 4.350 -0.000 0.000 0.265 162 T C 0.694 174.934 174.700 -0.767 0.000 1.111 162 T CA 1.139 62.934 62.100 -0.509 0.000 1.118 162 T CB -0.242 68.187 68.868 -0.732 0.000 0.909 162 T HN 0.296 nan 8.240 nan 0.000 0.501 163 F N 0.165 120.149 119.950 0.056 0.000 2.825 163 F HA 0.567 5.094 4.527 -0.000 0.000 0.322 163 F C 1.129 176.968 175.800 0.065 0.000 1.127 163 F CA -0.719 57.320 58.000 0.066 0.000 1.164 163 F CB 1.086 40.135 39.000 0.082 0.000 1.101 163 F HN 0.197 nan 8.300 nan 0.000 0.529 164 G N 0.827 109.722 108.800 0.159 0.000 2.364 164 G HA2 0.479 4.439 3.960 -0.000 0.000 0.286 164 G HA3 0.479 4.439 3.960 -0.000 0.000 0.286 164 G C -1.865 173.087 174.900 0.087 0.000 1.241 164 G CA -0.933 44.245 45.100 0.129 0.000 0.887 164 G HN 0.062 nan 8.290 nan 0.000 0.484 165 K N -1.637 118.815 120.400 0.086 0.000 2.536 165 K HA 0.793 5.113 4.320 -0.000 0.000 0.269 165 K C -1.771 174.870 176.600 0.068 0.000 0.965 165 K CA -0.958 55.367 56.287 0.064 0.000 0.860 165 K CB 2.435 34.977 32.500 0.070 0.000 1.423 165 K HN 0.517 nan 8.250 nan 0.000 0.438 166 V N 2.466 122.405 119.914 0.042 0.000 2.540 166 V HA 0.506 4.626 4.120 -0.000 0.000 0.302 166 V C -0.643 175.469 176.094 0.030 0.000 1.035 166 V CA -0.682 61.647 62.300 0.048 0.000 0.873 166 V CB 1.347 33.195 31.823 0.043 0.000 0.992 166 V HN 0.646 nan 8.190 nan 0.000 0.428 167 I N 4.587 125.182 120.570 0.043 0.000 2.569 167 I HA 0.431 4.601 4.170 -0.000 0.000 0.296 167 I C -0.675 175.415 176.117 -0.046 0.000 1.028 167 I CA -0.981 60.333 61.300 0.024 0.000 1.082 167 I CB 2.183 40.260 38.000 0.128 0.000 1.264 167 I HN 0.430 nan 8.210 nan 0.000 0.429 168 L N 7.598 128.739 121.223 -0.136 0.000 2.360 168 L HA 0.498 4.838 4.340 -0.000 0.000 0.276 168 L C -0.291 176.502 176.870 -0.129 0.000 1.121 168 L CA 0.218 54.914 54.840 -0.240 0.000 0.845 168 L CB 0.880 42.683 42.059 -0.427 0.000 1.143 168 L HN 0.471 nan 8.230 nan 0.000 0.452 169 V N 2.908 122.756 119.914 -0.110 0.000 3.102 169 V HA 0.684 4.804 4.120 -0.000 0.000 0.312 169 V C -0.677 175.389 176.094 -0.047 0.000 1.135 169 V CA -1.068 61.147 62.300 -0.142 0.000 1.022 169 V CB 1.878 33.480 31.823 -0.368 0.000 1.056 169 V HN 0.872 nan 8.190 nan 0.000 0.436 170 R N 1.372 121.814 120.500 -0.096 0.000 2.393 170 R HA 0.391 4.731 4.340 -0.000 0.000 0.315 170 R C -0.183 176.125 176.300 0.012 0.000 0.952 170 R CA -0.446 55.515 56.100 -0.231 0.000 0.842 170 R CB 1.478 31.501 30.300 -0.462 0.000 1.163 170 R HN 1.041 nan 8.270 nan 0.000 0.450 171 E N 3.928 124.208 120.200 0.133 0.000 2.463 171 E HA -0.101 4.249 4.350 -0.000 0.000 0.248 171 E C 0.354 176.871 176.600 -0.138 0.000 1.106 171 E CA 0.333 56.749 56.400 0.028 0.000 0.946 171 E CB 0.643 30.476 29.700 0.222 0.000 0.971 171 E HN 0.511 nan 8.360 nan 0.000 0.478 172 K N 3.053 123.322 120.400 -0.218 0.000 2.089 172 K HA -0.262 4.058 4.320 -0.000 0.000 0.210 172 K C 1.605 178.128 176.600 -0.129 0.000 1.048 172 K CA 1.724 57.916 56.287 -0.158 0.000 0.926 172 K CB -0.079 32.325 32.500 -0.161 0.000 0.714 172 K HN 0.570 nan 8.250 nan 0.000 0.448 173 A N 0.218 122.953 122.820 -0.141 0.000 2.169 173 A HA -0.045 4.275 4.320 -0.000 0.000 0.212 173 A C 1.890 179.437 177.584 -0.062 0.000 1.153 173 A CA 1.460 53.437 52.037 -0.100 0.000 0.756 173 A CB -0.136 18.795 19.000 -0.115 0.000 0.813 173 A HN 0.480 nan 8.150 nan 0.000 0.471 174 T N -6.371 108.152 114.554 -0.052 0.000 2.964 174 T HA 0.423 4.773 4.350 -0.000 0.000 0.249 174 T C 1.440 176.115 174.700 -0.043 0.000 1.000 174 T CA 1.138 63.225 62.100 -0.022 0.000 0.992 174 T CB 0.228 69.113 68.868 0.028 0.000 1.087 174 T HN 1.570 nan 8.240 nan 0.000 0.489 175 G N 2.051 110.790 108.800 -0.101 0.000 2.157 175 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.248 175 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.248 175 G C 0.096 174.828 174.900 -0.280 0.000 0.979 175 G CA -0.116 44.881 45.100 -0.171 0.000 0.650 175 G HN 0.698 nan 8.290 nan 0.000 0.529 176 R N -0.861 119.502 120.500 -0.228 0.000 2.500 176 R HA 0.599 4.939 4.340 -0.000 0.000 0.275 176 R C -0.636 175.342 176.300 -0.537 0.000 1.051 176 R CA -0.372 55.576 56.100 -0.253 0.000 1.088 176 R CB 0.639 30.858 30.300 -0.135 0.000 1.063 176 R HN 0.230 nan 8.270 nan 0.000 0.511 177 Y N 0.820 120.860 120.300 -0.433 0.000 2.377 177 Y HA 0.384 4.934 4.550 -0.000 0.000 0.339 177 Y C -0.605 174.946 175.900 -0.582 0.000 1.011 177 Y CA -0.496 57.383 58.100 -0.367 0.000 1.093 177 Y CB 1.486 39.844 38.460 -0.170 0.000 1.201 177 Y HN 0.421 nan 8.280 nan 0.000 0.455 178 Y N 0.260 120.664 120.300 0.172 0.000 2.534 178 Y HA 0.658 5.208 4.550 -0.000 0.000 0.345 178 Y C -0.346 175.579 175.900 0.042 0.000 1.031 178 Y CA -1.666 56.528 58.100 0.156 0.000 1.022 178 Y CB 1.815 40.349 38.460 0.124 0.000 1.292 178 Y HN 0.664 nan 8.280 nan 0.000 0.459 179 A N 4.224 127.233 122.820 0.315 0.000 2.354 179 A HA 0.516 4.836 4.320 -0.000 0.000 0.281 179 A C -0.455 177.227 177.584 0.164 0.000 1.174 179 A CA -0.312 51.840 52.037 0.191 0.000 0.828 179 A CB 0.120 19.293 19.000 0.288 0.000 1.099 179 A HN 0.791 nan 8.150 nan 0.000 0.516 180 M N 3.588 123.235 119.600 0.079 0.000 2.227 180 M HA 0.346 4.826 4.480 -0.000 0.000 0.335 180 M C -0.430 175.929 176.300 0.099 0.000 1.053 180 M CA -0.416 54.916 55.300 0.053 0.000 0.973 180 M CB 1.056 33.623 32.600 -0.054 0.000 1.623 180 M HN 0.712 nan 8.290 nan 0.000 0.434 181 K N 6.180 126.675 120.400 0.158 0.000 2.211 181 K HA 0.538 4.858 4.320 -0.000 0.000 0.275 181 K C -1.523 175.202 176.600 0.209 0.000 1.024 181 K CA -0.377 56.024 56.287 0.191 0.000 0.887 181 K CB 0.820 33.447 32.500 0.210 0.000 1.084 181 K HN 0.753 nan 8.250 nan 0.000 0.463 182 I N 6.995 127.652 120.570 0.145 0.000 2.410 182 I HA 0.298 4.468 4.170 -0.000 0.000 0.286 182 I C -0.775 175.401 176.117 0.098 0.000 1.009 182 I CA -0.885 60.469 61.300 0.090 0.000 1.111 182 I CB 1.233 39.275 38.000 0.071 0.000 1.262 182 I HN 0.457 nan 8.210 nan 0.000 0.443 183 L N 5.825 127.092 121.223 0.072 0.000 2.333 183 L HA 0.633 4.973 4.340 -0.000 0.000 0.263 183 L C -0.295 176.582 176.870 0.012 0.000 1.014 183 L CA -0.930 53.962 54.840 0.087 0.000 0.820 183 L CB 1.813 43.961 42.059 0.148 0.000 1.352 183 L HN 0.457 nan 8.230 nan 0.000 0.421 184 R N 0.923 121.453 120.500 0.049 0.000 2.229 184 R HA 0.306 4.646 4.340 -0.000 0.000 0.328 184 R C 0.385 176.700 176.300 0.025 0.000 1.009 184 R CA -0.673 55.441 56.100 0.024 0.000 0.864 184 R CB 1.784 32.117 30.300 0.055 0.000 1.085 184 R HN 0.567 nan 8.270 nan 0.000 0.453 185 K N 1.698 122.081 120.400 -0.028 0.000 2.020 185 K HA -0.278 4.042 4.320 -0.000 0.000 0.212 185 K C 1.688 178.357 176.600 0.116 0.000 1.050 185 K CA 1.950 58.246 56.287 0.015 0.000 0.929 185 K CB 0.094 32.586 32.500 -0.013 0.000 0.714 185 K HN 0.444 nan 8.250 nan 0.000 0.443 186 E N 0.947 121.199 120.200 0.087 0.000 2.153 186 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 186 E C 1.728 178.389 176.600 0.102 0.000 0.988 186 E CA 1.019 57.473 56.400 0.089 0.000 0.811 186 E CB 0.004 29.744 29.700 0.066 0.000 0.746 186 E HN 0.066 nan 8.360 nan 0.000 0.466 187 V N 0.684 120.668 119.914 0.117 0.000 2.427 187 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 187 V C 2.365 178.566 176.094 0.179 0.000 1.051 187 V CA 1.679 64.078 62.300 0.165 0.000 1.048 187 V CB -0.442 31.506 31.823 0.208 0.000 0.666 187 V HN 0.311 nan 8.190 nan 0.000 0.456 188 I N -0.502 120.152 120.570 0.141 0.000 2.202 188 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 188 I C 2.357 178.515 176.117 0.069 0.000 1.091 188 I CA 1.599 62.944 61.300 0.076 0.000 1.368 188 I CB -0.277 37.800 38.000 0.128 0.000 1.058 188 I HN 0.218 nan 8.210 nan 0.000 0.410 189 I N 1.105 121.742 120.570 0.111 0.000 2.091 189 I HA -0.356 3.814 4.170 -0.000 0.000 0.239 189 I C 2.765 178.906 176.117 0.039 0.000 1.061 189 I CA 1.807 63.142 61.300 0.059 0.000 1.317 189 I CB -0.438 37.607 38.000 0.074 0.000 1.031 189 I HN 0.207 nan 8.210 nan 0.000 0.401 190 A N -0.234 122.625 122.820 0.065 0.000 2.070 190 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 190 A C 1.914 179.544 177.584 0.076 0.000 1.159 190 A CA 1.335 53.411 52.037 0.065 0.000 0.656 190 A CB -0.187 18.859 19.000 0.076 0.000 0.800 190 A HN 0.290 nan 8.150 nan 0.000 0.453 191 K N -0.494 119.962 120.400 0.093 0.000 2.440 191 K HA 0.084 4.404 4.320 -0.000 0.000 0.206 191 K C -0.352 176.269 176.600 0.034 0.000 1.025 191 K CA 0.324 56.681 56.287 0.116 0.000 1.135 191 K CB 0.265 32.930 32.500 0.276 0.000 0.856 191 K HN 0.339 nan 8.250 nan 0.000 0.502 192 D N 1.982 122.379 120.400 -0.004 0.000 2.772 192 D HA -0.151 4.489 4.640 -0.000 0.000 0.233 192 D C -0.088 176.148 176.300 -0.106 0.000 1.143 192 D CA 0.683 54.654 54.000 -0.049 0.000 0.700 192 D CB -0.583 40.199 40.800 -0.030 0.000 1.076 192 D HN 0.181 nan 8.370 nan 0.000 0.430 193 E N -0.637 119.490 120.200 -0.121 0.000 2.496 193 E HA 0.113 4.463 4.350 -0.000 0.000 0.202 193 E C 1.766 178.321 176.600 -0.074 0.000 1.021 193 E CA 0.017 56.318 56.400 -0.164 0.000 1.015 193 E CB 0.522 29.965 29.700 -0.428 0.000 1.102 193 E HN 0.309 nan 8.360 nan 0.000 0.452 194 V N 0.339 120.204 119.914 -0.083 0.000 2.302 194 V HA -0.173 3.947 4.120 -0.000 0.000 0.243 194 V C 2.511 178.592 176.094 -0.021 0.000 1.036 194 V CA 1.734 64.008 62.300 -0.043 0.000 1.020 194 V CB -0.922 30.788 31.823 -0.189 0.000 0.657 194 V HN 0.263 nan 8.190 nan 0.000 0.453 195 A N 0.131 122.878 122.820 -0.121 0.000 1.869 195 A HA -0.346 3.974 4.320 -0.000 0.000 0.218 195 A C 2.021 179.593 177.584 -0.021 0.000 1.203 195 A CA 2.739 54.707 52.037 -0.116 0.000 0.638 195 A CB -1.202 17.660 19.000 -0.231 0.000 0.831 195 A HN 0.754 nan 8.150 nan 0.000 0.450 196 H N -1.024 118.059 119.070 0.021 0.000 2.319 196 H HA -0.105 4.450 4.556 -0.000 0.000 0.299 196 H C 2.433 177.824 175.328 0.104 0.000 1.092 196 H CA 1.670 57.737 56.048 0.031 0.000 1.302 196 H CB -0.292 29.454 29.762 -0.026 0.000 1.373 196 H HN 0.505 nan 8.280 nan 0.000 0.497 197 T N 0.193 114.915 114.554 0.280 0.000 2.720 197 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 197 T C 2.270 177.254 174.700 0.473 0.000 1.037 197 T CA 1.349 63.691 62.100 0.404 0.000 1.144 197 T CB -0.369 68.765 68.868 0.443 0.000 0.864 197 T HN 0.099 nan 8.240 nan 0.000 0.444 198 V N 1.384 121.517 119.914 0.365 0.000 2.379 198 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 198 V C 2.795 178.999 176.094 0.183 0.000 1.044 198 V CA 1.797 64.282 62.300 0.309 0.000 1.036 198 V CB -1.131 30.832 31.823 0.233 0.000 0.664 198 V HN 0.500 nan 8.190 nan 0.000 0.453 199 T N -0.239 114.410 114.554 0.157 0.000 2.684 199 T HA -0.279 4.071 4.350 -0.000 0.000 0.267 199 T C 1.848 176.618 174.700 0.116 0.000 1.036 199 T CA 2.016 64.186 62.100 0.116 0.000 1.148 199 T CB -0.232 68.710 68.868 0.123 0.000 0.863 199 T HN 0.665 nan 8.240 nan 0.000 0.436 200 E N 0.628 120.926 120.200 0.163 0.000 2.065 200 E HA -0.216 4.134 4.350 -0.000 0.000 0.201 200 E C 2.390 179.047 176.600 0.096 0.000 1.016 200 E CA 1.704 58.191 56.400 0.144 0.000 0.818 200 E CB -0.336 29.429 29.700 0.109 0.000 0.749 200 E HN 0.348 nan 8.360 nan 0.000 0.453 201 S N -0.339 115.448 115.700 0.144 0.000 2.354 201 S HA -0.215 4.255 4.470 -0.000 0.000 0.219 201 S C 1.962 176.477 174.600 -0.142 0.000 1.035 201 S CA 1.707 59.867 58.200 -0.066 0.000 1.037 201 S CB -0.258 62.715 63.200 -0.380 0.000 0.956 201 S HN 0.289 nan 8.310 nan 0.000 0.428 202 R N -0.000 120.455 120.500 -0.075 0.000 2.113 202 R HA -0.101 4.239 4.340 -0.000 0.000 0.244 202 R C 2.260 178.497 176.300 -0.105 0.000 1.142 202 R CA 1.754 57.807 56.100 -0.078 0.000 0.953 202 R CB -0.848 29.443 30.300 -0.015 0.000 0.860 202 R HN 0.321 nan 8.270 nan 0.000 0.438 203 V N 1.200 121.066 119.914 -0.080 0.000 2.407 203 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 203 V C 2.205 178.152 176.094 -0.244 0.000 1.055 203 V CA 1.584 63.815 62.300 -0.116 0.000 1.049 203 V CB -0.302 31.493 31.823 -0.046 0.000 0.662 203 V HN 0.288 nan 8.190 nan 0.000 0.455 204 L N -0.724 120.327 121.223 -0.287 0.000 2.217 204 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 204 L C 2.511 179.169 176.870 -0.353 0.000 1.107 204 L CA 1.274 55.912 54.840 -0.337 0.000 0.783 204 L CB -0.380 41.532 42.059 -0.246 0.000 0.919 204 L HN 0.375 nan 8.230 nan 0.000 0.442 205 Q N -0.459 119.081 119.800 -0.433 0.000 2.436 205 Q HA -0.042 4.298 4.340 -0.000 0.000 0.209 205 Q C 0.700 176.573 176.000 -0.213 0.000 0.965 205 Q CA 0.637 56.081 55.803 -0.598 0.000 0.910 205 Q CB 0.183 28.599 28.738 -0.538 0.000 0.980 205 Q HN 0.495 nan 8.270 nan 0.000 0.491 206 N N 0.420 119.043 118.700 -0.129 0.000 2.241 206 N HA 0.047 4.787 4.740 -0.000 0.000 0.238 206 N C -0.765 174.754 175.510 0.015 0.000 1.244 206 N CA 0.252 53.283 53.050 -0.031 0.000 0.880 206 N CB 1.516 39.983 38.487 -0.033 0.000 1.179 206 N HN 0.106 nan 8.380 nan 0.000 0.513 207 T N -1.345 113.216 114.554 0.011 0.000 2.848 207 T HA 0.623 4.973 4.350 -0.000 0.000 0.285 207 T C -0.459 174.301 174.700 0.101 0.000 0.995 207 T CA -0.755 61.427 62.100 0.136 0.000 0.970 207 T CB 2.753 71.653 68.868 0.054 0.000 0.976 207 T HN -0.109 nan 8.240 nan 0.000 0.441 208 R N 1.342 121.917 120.500 0.126 0.000 2.507 208 R HA 0.610 4.950 4.340 -0.000 0.000 0.298 208 R C -1.864 174.237 176.300 -0.332 0.000 1.087 208 R CA -0.482 55.571 56.100 -0.078 0.000 0.917 208 R CB 0.490 30.774 30.300 -0.027 0.000 1.173 208 R HN 1.006 nan 8.270 nan 0.000 0.472 209 H N 3.596 122.385 119.070 -0.469 0.000 3.079 209 H HA 0.333 4.889 4.556 -0.000 0.000 0.356 209 H C -2.072 172.979 175.328 -0.462 0.000 1.221 209 H CA -1.450 54.230 56.048 -0.614 0.000 1.185 209 H CB 2.340 31.611 29.762 -0.819 0.000 1.882 209 H HN 0.354 nan 8.280 nan 0.000 0.543 210 P HA -0.109 nan 4.420 nan 0.000 0.217 210 P C 0.298 177.339 177.300 -0.433 0.000 1.150 210 P CA 1.117 63.755 63.100 -0.771 0.000 0.832 210 P CB 0.207 31.160 31.700 -1.245 0.000 0.787 211 F N -0.255 119.710 119.950 0.026 0.000 2.660 211 F HA 0.325 4.851 4.527 -0.000 0.000 0.297 211 F C 0.950 176.847 175.800 0.163 0.000 1.132 211 F CA -0.488 57.596 58.000 0.140 0.000 1.372 211 F CB -0.857 38.247 39.000 0.172 0.000 1.003 211 F HN -0.213 nan 8.300 nan 0.000 0.524 212 L N -0.607 120.753 121.223 0.228 0.000 2.381 212 L HA 0.426 4.766 4.340 -0.000 0.000 0.268 212 L C 0.370 177.326 176.870 0.144 0.000 0.997 212 L CA -0.791 54.177 54.840 0.213 0.000 0.818 212 L CB 2.011 44.172 42.059 0.170 0.000 1.310 212 L HN -0.246 nan 8.230 nan 0.000 0.416 213 T N 2.303 116.993 114.554 0.226 0.000 2.867 213 T HA 0.297 4.647 4.350 -0.000 0.000 0.297 213 T C 0.259 175.019 174.700 0.100 0.000 0.989 213 T CA -0.164 62.043 62.100 0.178 0.000 1.159 213 T CB 0.667 69.685 68.868 0.251 0.000 0.928 213 T HN 0.617 nan 8.240 nan 0.000 0.538 214 A N 3.819 126.686 122.820 0.078 0.000 2.310 214 A HA 0.623 4.943 4.320 -0.000 0.000 0.299 214 A C -0.242 177.518 177.584 0.293 0.000 1.147 214 A CA -0.681 51.420 52.037 0.108 0.000 0.818 214 A CB 0.398 19.331 19.000 -0.111 0.000 1.096 214 A HN 0.739 nan 8.150 nan 0.000 0.495 215 L N 1.830 123.244 121.223 0.318 0.000 2.276 215 L HA 0.492 4.832 4.340 -0.000 0.000 0.286 215 L C 0.950 178.068 176.870 0.413 0.000 1.061 215 L CA 0.053 55.079 54.840 0.310 0.000 0.807 215 L CB 1.057 43.205 42.059 0.149 0.000 1.177 215 L HN 0.872 nan 8.230 nan 0.000 0.429 216 K N 4.062 124.490 120.400 0.046 0.000 2.108 216 K HA 0.173 4.493 4.320 -0.000 0.000 0.204 216 K C -0.765 175.451 176.600 -0.639 0.000 1.036 216 K CA 1.087 56.979 56.287 -0.658 0.000 0.965 216 K CB 0.132 31.943 32.500 -1.148 0.000 0.804 216 K HN 0.532 nan 8.250 nan 0.000 0.454 217 Y N -0.779 119.496 120.300 -0.041 0.000 2.512 217 Y HA 0.691 5.241 4.550 -0.000 0.000 0.348 217 Y C -0.897 175.084 175.900 0.134 0.000 0.990 217 Y CA -1.765 56.386 58.100 0.084 0.000 1.033 217 Y CB 2.160 40.739 38.460 0.199 0.000 1.259 217 Y HN 0.041 nan 8.280 nan 0.000 0.461 218 A N 3.477 126.485 122.820 0.313 0.000 2.353 218 A HA 0.858 5.178 4.320 -0.000 0.000 0.299 218 A C -1.389 176.333 177.584 0.229 0.000 1.089 218 A CA -0.568 51.491 52.037 0.037 0.000 0.736 218 A CB 0.233 19.043 19.000 -0.318 0.000 1.195 218 A HN 0.677 nan 8.150 nan 0.000 0.447 219 F N 0.322 120.380 119.950 0.181 0.000 2.675 219 F HA 0.844 5.371 4.527 -0.000 0.000 0.324 219 F C -0.377 175.426 175.800 0.005 0.000 1.106 219 F CA -1.011 57.058 58.000 0.116 0.000 0.970 219 F CB 1.354 40.383 39.000 0.048 0.000 1.385 219 F HN 0.653 nan 8.300 nan 0.000 0.489 220 Q N 0.255 120.143 119.800 0.147 0.000 2.451 220 Q HA 0.731 5.071 4.340 -0.000 0.000 0.281 220 Q C -1.412 174.615 176.000 0.046 0.000 1.099 220 Q CA -0.931 54.810 55.803 -0.103 0.000 0.806 220 Q CB 2.477 31.004 28.738 -0.352 0.000 1.419 220 Q HN 0.912 nan 8.270 nan 0.000 0.427 221 T N -3.169 111.367 114.554 -0.030 0.000 2.926 221 T HA 0.289 4.639 4.350 -0.000 0.000 0.289 221 T C 0.642 175.312 174.700 -0.051 0.000 1.054 221 T CA -0.641 61.444 62.100 -0.026 0.000 1.015 221 T CB 0.939 69.835 68.868 0.047 0.000 1.167 221 T HN 0.627 nan 8.240 nan 0.000 0.526 222 H N 0.879 119.940 119.070 -0.015 0.000 2.518 222 H HA -0.039 4.517 4.556 -0.000 0.000 0.294 222 H C 1.227 176.540 175.328 -0.026 0.000 1.083 222 H CA 2.042 58.080 56.048 -0.015 0.000 1.264 222 H CB 0.120 29.881 29.762 -0.001 0.000 1.370 222 H HN 0.812 nan 8.280 nan 0.000 0.560 223 D N -1.770 118.674 120.400 0.073 0.000 2.520 223 D HA 0.067 4.707 4.640 -0.000 0.000 0.223 223 D C 0.499 176.771 176.300 -0.048 0.000 1.186 223 D CA -0.086 53.926 54.000 0.021 0.000 0.821 223 D CB 0.876 41.694 40.800 0.031 0.000 1.072 223 D HN 0.075 nan 8.370 nan 0.000 0.518 224 R N -0.159 120.277 120.500 -0.107 0.000 2.774 224 R HA 0.639 4.979 4.340 -0.000 0.000 0.272 224 R C -1.058 175.026 176.300 -0.359 0.000 1.000 224 R CA -0.858 55.136 56.100 -0.176 0.000 0.906 224 R CB 2.206 32.451 30.300 -0.091 0.000 1.227 224 R HN -0.073 nan 8.270 nan 0.000 0.468 225 L N 0.795 121.746 121.223 -0.452 0.000 2.329 225 L HA 0.584 4.924 4.340 -0.000 0.000 0.279 225 L C -0.831 175.757 176.870 -0.471 0.000 1.014 225 L CA -0.802 53.596 54.840 -0.736 0.000 0.814 225 L CB 2.014 43.454 42.059 -1.031 0.000 1.257 225 L HN 0.557 nan 8.230 nan 0.000 0.424 226 C N 2.775 121.723 119.300 -0.586 0.000 2.432 226 C HA 0.509 4.969 4.460 -0.000 0.000 0.334 226 C C -0.532 174.134 174.990 -0.541 0.000 1.155 226 C CA -0.905 57.762 59.018 -0.585 0.000 1.335 226 C CB 0.376 27.414 27.740 -1.171 0.000 1.964 226 C HN 0.439 nan 8.230 nan 0.000 0.444 227 F N 2.580 122.476 119.950 -0.091 0.000 2.385 227 F HA 0.423 4.950 4.527 -0.000 0.000 0.360 227 F C 0.345 176.107 175.800 -0.063 0.000 1.122 227 F CA -0.704 57.268 58.000 -0.047 0.000 1.090 227 F CB 0.909 39.920 39.000 0.018 0.000 1.150 227 F HN 0.222 nan 8.300 nan 0.000 0.472 228 V N 5.772 125.739 119.914 0.089 0.000 2.322 228 V HA 0.274 4.394 4.120 -0.000 0.000 0.258 228 V C 0.201 176.299 176.094 0.007 0.000 1.074 228 V CA -0.285 62.013 62.300 -0.004 0.000 0.909 228 V CB 0.056 31.854 31.823 -0.041 0.000 1.090 228 V HN 0.731 nan 8.190 nan 0.000 0.486 229 M N 3.576 123.261 119.600 0.142 0.000 2.528 229 M HA 0.456 4.936 4.480 -0.000 0.000 0.318 229 M C 0.429 176.952 176.300 0.373 0.000 1.195 229 M CA -0.557 54.882 55.300 0.232 0.000 1.000 229 M CB 1.578 34.314 32.600 0.227 0.000 1.615 229 M HN 0.713 nan 8.290 nan 0.000 0.469 230 E N 1.294 121.741 120.200 0.411 0.000 2.413 230 E HA -0.031 4.319 4.350 -0.000 0.000 0.263 230 E C -1.408 175.433 176.600 0.403 0.000 1.015 230 E CA -0.309 56.377 56.400 0.477 0.000 0.916 230 E CB 0.521 30.411 29.700 0.318 0.000 0.947 230 E HN 0.557 nan 8.360 nan 0.000 0.440 231 Y N 2.625 123.084 120.300 0.265 0.000 2.393 231 Y HA 0.361 4.911 4.550 -0.000 0.000 0.338 231 Y C -0.601 175.413 175.900 0.190 0.000 1.029 231 Y CA -1.270 56.950 58.100 0.201 0.000 1.239 231 Y CB 0.728 39.279 38.460 0.152 0.000 1.170 231 Y HN 0.618 nan 8.280 nan 0.000 0.515 232 A N 6.680 129.434 122.820 -0.110 0.000 2.506 232 A HA 0.243 4.563 4.320 -0.000 0.000 0.320 232 A C 0.632 178.005 177.584 -0.351 0.000 1.424 232 A CA -0.577 51.368 52.037 -0.153 0.000 1.044 232 A CB -0.488 18.551 19.000 0.064 0.000 1.140 232 A HN 0.988 nan 8.150 nan 0.000 0.538 233 N N 2.411 120.798 118.700 -0.523 0.000 2.453 233 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 233 N C 1.321 176.885 175.510 0.089 0.000 1.041 233 N CA 1.207 54.023 53.050 -0.391 0.000 0.900 233 N CB 0.316 38.687 38.487 -0.192 0.000 0.961 233 N HN 0.692 nan 8.380 nan 0.000 0.443 234 G N 0.248 109.051 108.800 0.005 0.000 3.284 234 G HA2 0.392 4.352 3.960 -0.000 0.000 0.236 234 G HA3 0.392 4.352 3.960 -0.000 0.000 0.236 234 G C 0.885 175.730 174.900 -0.092 0.000 1.158 234 G CA 0.254 45.334 45.100 -0.032 0.000 0.774 234 G HN 0.409 nan 8.290 nan 0.000 0.545 235 G N 0.605 109.177 108.800 -0.380 0.000 2.601 235 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.261 235 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.261 235 G C -0.163 174.547 174.900 -0.317 0.000 1.289 235 G CA -0.099 44.418 45.100 -0.972 0.000 0.920 235 G HN 0.537 nan 8.290 nan 0.000 0.571 236 E N -0.153 119.911 120.200 -0.227 0.000 2.277 236 E HA 0.451 4.801 4.350 -0.000 0.000 0.274 236 E C 1.197 177.902 176.600 0.176 0.000 1.022 236 E CA -0.991 55.428 56.400 0.032 0.000 0.853 236 E CB 1.548 31.332 29.700 0.140 0.000 1.086 236 E HN 0.320 nan 8.360 nan 0.000 0.397 237 L N 2.300 123.622 121.223 0.165 0.000 2.089 237 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 237 L C 1.746 178.789 176.870 0.288 0.000 1.079 237 L CA 1.581 56.542 54.840 0.202 0.000 0.758 237 L CB -0.776 41.319 42.059 0.059 0.000 0.891 237 L HN 0.672 nan 8.230 nan 0.000 0.433 238 F N -0.559 119.439 119.950 0.080 0.000 2.065 238 F HA -0.328 4.199 4.527 -0.000 0.000 0.298 238 F C 2.462 178.290 175.800 0.048 0.000 1.112 238 F CA 1.711 59.744 58.000 0.054 0.000 1.212 238 F CB -1.090 37.944 39.000 0.058 0.000 0.975 238 F HN 0.196 nan 8.300 nan 0.000 0.476 239 F N 0.488 120.337 119.950 -0.169 0.000 2.120 239 F HA -0.303 4.224 4.527 -0.000 0.000 0.300 239 F C 2.772 178.374 175.800 -0.330 0.000 1.095 239 F CA 2.387 60.171 58.000 -0.360 0.000 1.249 239 F CB -0.588 38.178 39.000 -0.390 0.000 0.995 239 F HN 0.090 nan 8.300 nan 0.000 0.480 240 H N -0.894 118.253 119.070 0.129 0.000 2.403 240 H HA -0.057 4.499 4.556 -0.000 0.000 0.298 240 H C 2.187 177.534 175.328 0.031 0.000 1.059 240 H CA 1.497 57.589 56.048 0.074 0.000 1.363 240 H CB -0.509 29.291 29.762 0.063 0.000 1.410 240 H HN 0.328 nan 8.280 nan 0.000 0.528 241 L N 0.747 122.025 121.223 0.091 0.000 2.072 241 L HA -0.071 4.269 4.340 -0.000 0.000 0.205 241 L C 2.352 179.099 176.870 -0.206 0.000 1.079 241 L CA 1.055 55.779 54.840 -0.192 0.000 0.752 241 L CB -0.454 41.433 42.059 -0.286 0.000 0.906 241 L HN -0.008 nan 8.230 nan 0.000 0.436 242 S N -0.320 115.215 115.700 -0.276 0.000 2.359 242 S HA -0.268 4.202 4.470 -0.000 0.000 0.223 242 S C 2.097 176.511 174.600 -0.310 0.000 1.039 242 S CA 1.706 59.688 58.200 -0.362 0.000 1.042 242 S CB -0.469 62.360 63.200 -0.618 0.000 0.915 242 S HN 0.445 nan 8.310 nan 0.000 0.439 243 R N 1.063 121.347 120.500 -0.359 0.000 2.081 243 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 243 R C 1.704 177.920 176.300 -0.140 0.000 1.131 243 R CA 1.528 57.459 56.100 -0.282 0.000 0.960 243 R CB -0.068 30.036 30.300 -0.327 0.000 0.856 243 R HN 0.483 nan 8.270 nan 0.000 0.436 244 E N -0.952 119.198 120.200 -0.083 0.000 2.452 244 E HA 0.036 4.386 4.350 -0.000 0.000 0.197 244 E C 0.341 176.908 176.600 -0.055 0.000 1.022 244 E CA -0.196 56.193 56.400 -0.019 0.000 0.890 244 E CB 0.593 30.355 29.700 0.104 0.000 0.918 244 E HN 0.182 nan 8.360 nan 0.000 0.496 245 R N -1.120 119.309 120.500 -0.118 0.000 2.198 245 R HA -0.165 4.175 4.340 -0.000 0.000 0.155 245 R C 0.198 176.391 176.300 -0.179 0.000 0.877 245 R CA 1.451 57.470 56.100 -0.134 0.000 1.870 245 R CB -1.786 28.459 30.300 -0.093 0.000 0.812 245 R HN 0.252 nan 8.270 nan 0.000 0.662 246 V N 0.885 120.708 119.914 -0.151 0.000 3.087 246 V HA 0.683 4.803 4.120 -0.000 0.000 0.306 246 V C -1.244 174.837 176.094 -0.020 0.000 1.187 246 V CA -0.912 61.282 62.300 -0.176 0.000 0.999 246 V CB 2.071 33.836 31.823 -0.097 0.000 1.049 246 V HN 0.082 nan 8.190 nan 0.000 0.431 247 F N 2.191 122.143 119.950 0.002 0.000 2.432 247 F HA 0.627 5.154 4.527 -0.000 0.000 0.329 247 F C 1.093 176.895 175.800 0.004 0.000 1.076 247 F CA -0.654 57.355 58.000 0.015 0.000 1.018 247 F CB 1.407 40.448 39.000 0.068 0.000 1.201 247 F HN 0.671 nan 8.300 nan 0.000 0.489 248 T N -1.901 112.775 114.554 0.203 0.000 2.855 248 T HA 0.081 4.431 4.350 -0.000 0.000 0.314 248 T C 1.014 175.786 174.700 0.121 0.000 1.077 248 T CA -0.375 61.783 62.100 0.098 0.000 1.095 248 T CB 0.546 69.432 68.868 0.029 0.000 0.987 248 T HN 0.669 nan 8.240 nan 0.000 0.546 249 E N 0.326 120.582 120.200 0.093 0.000 2.085 249 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 249 E C 2.036 178.698 176.600 0.104 0.000 0.994 249 E CA 1.438 57.926 56.400 0.145 0.000 0.801 249 E CB -0.119 29.664 29.700 0.138 0.000 0.743 249 E HN 0.823 nan 8.360 nan 0.000 0.453 250 E N 1.306 121.506 120.200 -0.000 0.000 2.077 250 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 250 E C 1.966 178.536 176.600 -0.049 0.000 0.989 250 E CA 1.426 57.790 56.400 -0.060 0.000 0.800 250 E CB -0.097 29.550 29.700 -0.088 0.000 0.746 250 E HN 0.107 nan 8.360 nan 0.000 0.452 251 R N -0.380 120.073 120.500 -0.078 0.000 2.092 251 R HA -0.032 4.308 4.340 -0.000 0.000 0.231 251 R C 2.155 178.396 176.300 -0.099 0.000 1.119 251 R CA 1.405 57.369 56.100 -0.226 0.000 0.970 251 R CB -0.382 29.738 30.300 -0.301 0.000 0.864 251 R HN 0.206 nan 8.270 nan 0.000 0.440 252 A N 1.003 123.928 122.820 0.175 0.000 1.930 252 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 252 A C 2.189 179.983 177.584 0.349 0.000 1.175 252 A CA 1.425 53.675 52.037 0.354 0.000 0.627 252 A CB -0.568 18.641 19.000 0.349 0.000 0.815 252 A HN 0.433 nan 8.150 nan 0.000 0.443 253 R N -1.506 119.182 120.500 0.313 0.000 2.091 253 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 253 R C 1.941 178.408 176.300 0.280 0.000 1.136 253 R CA 1.915 58.220 56.100 0.342 0.000 0.959 253 R CB -0.516 29.760 30.300 -0.040 0.000 0.856 253 R HN 0.493 nan 8.270 nan 0.000 0.437 254 F N 0.236 120.154 119.950 -0.053 0.000 2.069 254 F HA -0.273 4.254 4.527 -0.000 0.000 0.298 254 F C 1.496 177.239 175.800 -0.095 0.000 1.113 254 F CA 1.701 59.593 58.000 -0.180 0.000 1.214 254 F CB -0.389 38.363 39.000 -0.413 0.000 0.978 254 F HN 0.040 nan 8.300 nan 0.000 0.474 255 Y N 0.538 120.922 120.300 0.141 0.000 2.314 255 Y HA 0.085 4.635 4.550 -0.000 0.000 0.293 255 Y C 2.648 178.560 175.900 0.019 0.000 1.129 255 Y CA 0.575 58.685 58.100 0.017 0.000 1.201 255 Y CB -1.463 37.090 38.460 0.156 0.000 0.999 255 Y HN 0.145 nan 8.280 nan 0.000 0.541 256 G N -0.066 108.930 108.800 0.328 0.000 2.459 256 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 256 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 256 G C 1.992 177.053 174.900 0.269 0.000 1.183 256 G CA 1.254 46.587 45.100 0.389 0.000 0.776 256 G HN 0.448 nan 8.290 nan 0.000 0.552 257 A N 0.722 123.636 122.820 0.157 0.000 1.940 257 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 257 A C 2.193 179.754 177.584 -0.039 0.000 1.176 257 A CA 1.964 53.954 52.037 -0.078 0.000 0.631 257 A CB -0.354 18.365 19.000 -0.468 0.000 0.814 257 A HN 0.493 nan 8.150 nan 0.000 0.446 258 E N -0.525 119.512 120.200 -0.272 0.000 2.107 258 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 258 E C 1.868 178.421 176.600 -0.079 0.000 0.982 258 E CA 1.047 57.169 56.400 -0.464 0.000 0.809 258 E CB -0.245 28.822 29.700 -1.055 0.000 0.756 258 E HN 0.727 nan 8.360 nan 0.000 0.459 259 I N 0.779 121.352 120.570 0.006 0.000 2.252 259 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 259 I C 2.371 178.561 176.117 0.123 0.000 1.102 259 I CA 0.702 62.043 61.300 0.068 0.000 1.385 259 I CB -0.170 37.880 38.000 0.083 0.000 1.064 259 I HN -0.061 nan 8.210 nan 0.000 0.414 260 V N -0.165 119.869 119.914 0.200 0.000 2.407 260 V HA -0.293 3.826 4.120 -0.000 0.000 0.248 260 V C 2.594 178.806 176.094 0.196 0.000 1.055 260 V CA 2.174 64.623 62.300 0.248 0.000 1.049 260 V CB -0.566 31.328 31.823 0.119 0.000 0.662 260 V HN 0.457 nan 8.190 nan 0.000 0.455 261 S N -0.287 115.583 115.700 0.283 0.000 2.368 261 S HA -0.165 4.305 4.470 -0.000 0.000 0.225 261 S C 2.172 176.864 174.600 0.153 0.000 1.030 261 S CA 1.542 59.938 58.200 0.327 0.000 0.999 261 S CB -0.303 63.230 63.200 0.555 0.000 0.844 261 S HN 0.615 nan 8.310 nan 0.000 0.459 262 A N 1.345 124.231 122.820 0.109 0.000 1.883 262 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 262 A C 2.213 179.717 177.584 -0.134 0.000 1.186 262 A CA 1.552 53.490 52.037 -0.165 0.000 0.624 262 A CB -0.846 18.160 19.000 0.011 0.000 0.822 262 A HN 0.569 nan 8.150 nan 0.000 0.444 263 L N -0.894 120.255 121.223 -0.124 0.000 2.056 263 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 263 L C 2.724 179.392 176.870 -0.335 0.000 1.078 263 L CA 1.465 56.112 54.840 -0.321 0.000 0.749 263 L CB -0.459 41.251 42.059 -0.581 0.000 0.901 263 L HN 0.521 nan 8.230 nan 0.000 0.433 264 E N -0.031 120.124 120.200 -0.075 0.000 2.058 264 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 264 E C 2.158 178.785 176.600 0.045 0.000 0.997 264 E CA 1.805 58.216 56.400 0.019 0.000 0.801 264 E CB -0.186 29.549 29.700 0.058 0.000 0.746 264 E HN 0.461 nan 8.360 nan 0.000 0.450 265 Y N 1.367 121.611 120.300 -0.095 0.000 2.070 265 Y HA -0.230 4.320 4.550 -0.000 0.000 0.280 265 Y C 2.340 178.218 175.900 -0.035 0.000 1.148 265 Y CA 1.861 59.910 58.100 -0.086 0.000 1.125 265 Y CB -0.691 37.606 38.460 -0.272 0.000 0.975 265 Y HN -0.011 nan 8.280 nan 0.000 0.492 266 L N -0.432 120.717 121.223 -0.123 0.000 1.990 266 L HA -0.369 3.971 4.340 -0.000 0.000 0.213 266 L C 2.594 179.469 176.870 0.008 0.000 1.072 266 L CA 2.115 56.897 54.840 -0.098 0.000 0.755 266 L CB -0.947 41.151 42.059 0.064 0.000 0.889 266 L HN 0.452 nan 8.230 nan 0.000 0.432 267 H N -1.000 118.025 119.070 -0.075 0.000 2.353 267 H HA -0.177 4.379 4.556 -0.000 0.000 0.298 267 H C 2.541 177.827 175.328 -0.070 0.000 1.103 267 H CA 1.364 57.389 56.048 -0.038 0.000 1.293 267 H CB 0.038 29.824 29.762 0.039 0.000 1.372 267 H HN 0.467 nan 8.280 nan 0.000 0.501 268 S N 0.907 116.616 115.700 0.015 0.000 2.423 268 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 268 S C 1.764 176.286 174.600 -0.132 0.000 1.014 268 S CA 0.607 58.776 58.200 -0.051 0.000 0.965 268 S CB 0.048 63.220 63.200 -0.046 0.000 0.785 268 S HN 0.271 nan 8.310 nan 0.000 0.495 269 R N 1.233 121.590 120.500 -0.239 0.000 2.335 269 R HA 0.157 4.497 4.340 -0.000 0.000 0.223 269 R C -0.456 175.779 176.300 -0.110 0.000 0.940 269 R CA 0.373 56.341 56.100 -0.219 0.000 1.086 269 R CB -0.929 29.153 30.300 -0.364 0.000 1.073 269 R HN 0.343 nan 8.270 nan 0.000 0.504 270 D N 0.242 120.601 120.400 -0.070 0.000 2.772 270 D HA -0.142 4.498 4.640 -0.000 0.000 0.233 270 D C -0.205 176.073 176.300 -0.037 0.000 1.143 270 D CA 1.014 54.985 54.000 -0.048 0.000 0.700 270 D CB -1.301 39.474 40.800 -0.042 0.000 1.076 270 D HN 0.223 nan 8.370 nan 0.000 0.430 271 V N -1.962 117.942 119.914 -0.016 0.000 2.604 271 V HA 0.692 4.812 4.120 -0.000 0.000 0.305 271 V C -0.235 175.904 176.094 0.075 0.000 1.043 271 V CA -0.639 61.677 62.300 0.027 0.000 0.888 271 V CB 2.630 34.485 31.823 0.053 0.000 0.995 271 V HN -0.113 nan 8.190 nan 0.000 0.429 272 V N 6.910 126.859 119.914 0.057 0.000 2.398 272 V HA 0.314 4.434 4.120 -0.000 0.000 0.286 272 V C 0.403 176.577 176.094 0.133 0.000 1.026 272 V CA -0.207 62.137 62.300 0.074 0.000 0.868 272 V CB 0.968 32.783 31.823 -0.013 0.000 0.982 272 V HN 1.032 nan 8.190 nan 0.000 0.443 273 Y N 4.603 124.925 120.300 0.035 0.000 2.176 273 Y HA 0.022 4.572 4.550 -0.000 0.000 0.291 273 Y C 1.945 177.819 175.900 -0.043 0.000 1.122 273 Y CA 1.554 59.653 58.100 -0.002 0.000 1.128 273 Y CB 0.122 38.555 38.460 -0.045 0.000 1.005 273 Y HN 0.681 nan 8.280 nan 0.000 0.509 274 R N -1.120 119.303 120.500 -0.128 0.000 3.653 274 R HA -0.219 4.121 4.340 -0.000 0.000 0.485 274 R C -0.317 175.799 176.300 -0.308 0.000 0.840 274 R CA 1.203 57.188 56.100 -0.190 0.000 1.409 274 R CB -2.032 28.179 30.300 -0.149 0.000 2.089 274 R HN 0.392 nan 8.270 nan 0.000 0.482 275 D N 0.437 120.506 120.400 -0.551 0.000 2.819 275 D HA 0.209 4.849 4.640 -0.000 0.000 0.326 275 D C -0.162 176.007 176.300 -0.219 0.000 1.408 275 D CA -0.275 53.444 54.000 -0.468 0.000 0.811 275 D CB 0.349 40.778 40.800 -0.619 0.000 1.148 275 D HN 0.063 nan 8.370 nan 0.000 0.457 276 I N 2.417 122.984 120.570 -0.006 0.000 2.668 276 I HA 0.072 4.242 4.170 -0.000 0.000 0.285 276 I C 0.701 176.571 176.117 -0.411 0.000 1.168 276 I CA 0.758 62.051 61.300 -0.012 0.000 1.424 276 I CB -0.308 37.714 38.000 0.037 0.000 1.377 276 I HN 0.216 nan 8.210 nan 0.000 0.560 277 K N 4.842 124.944 120.400 -0.497 0.000 2.642 277 K HA 0.371 4.691 4.320 -0.000 0.000 0.290 277 K C -0.179 176.221 176.600 -0.333 0.000 1.006 277 K CA -0.916 54.805 56.287 -0.944 0.000 0.869 277 K CB 0.947 32.745 32.500 -1.171 0.000 1.499 277 K HN 0.181 nan 8.250 nan 0.000 0.403 278 L N 0.679 121.814 121.223 -0.148 0.000 2.131 278 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 278 L C 1.528 178.380 176.870 -0.030 0.000 1.092 278 L CA 1.547 56.382 54.840 -0.008 0.000 0.759 278 L CB -0.416 41.707 42.059 0.107 0.000 0.903 278 L HN 0.746 nan 8.230 nan 0.000 0.435 279 E N -0.134 119.975 120.200 -0.152 0.000 2.268 279 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 279 E C 1.381 177.957 176.600 -0.041 0.000 0.995 279 E CA 0.660 57.009 56.400 -0.085 0.000 0.836 279 E CB -0.048 29.558 29.700 -0.155 0.000 0.763 279 E HN 0.350 nan 8.360 nan 0.000 0.491 280 N N -0.343 118.311 118.700 -0.077 0.000 2.236 280 N HA 0.114 4.854 4.740 -0.000 0.000 0.196 280 N C -0.646 174.825 175.510 -0.066 0.000 1.114 280 N CA 0.156 53.168 53.050 -0.062 0.000 0.859 280 N CB 0.601 39.059 38.487 -0.049 0.000 0.982 280 N HN 0.110 nan 8.380 nan 0.000 0.493 281 L N 1.485 122.682 121.223 -0.044 0.000 2.297 281 L HA 0.397 4.737 4.340 -0.000 0.000 0.277 281 L C -0.112 176.748 176.870 -0.016 0.000 1.040 281 L CA -0.292 54.522 54.840 -0.044 0.000 0.867 281 L CB 0.705 42.735 42.059 -0.048 0.000 1.244 281 L HN -0.182 nan 8.230 nan 0.000 0.433 282 M N 3.373 122.975 119.600 0.002 0.000 2.368 282 M HA 0.502 4.982 4.480 -0.000 0.000 0.311 282 M C -0.283 176.018 176.300 0.002 0.000 1.168 282 M CA -0.482 54.828 55.300 0.018 0.000 1.044 282 M CB 1.725 34.362 32.600 0.063 0.000 1.506 282 M HN 0.366 nan 8.290 nan 0.000 0.475 283 L N 1.537 122.755 121.223 -0.008 0.000 2.322 283 L HA 0.302 4.642 4.340 -0.000 0.000 0.281 283 L C -0.133 176.743 176.870 0.009 0.000 1.014 283 L CA -0.991 53.843 54.840 -0.009 0.000 0.815 283 L CB 1.725 43.739 42.059 -0.076 0.000 1.247 283 L HN 0.695 nan 8.230 nan 0.000 0.421 284 D N 1.689 122.123 120.400 0.058 0.000 2.414 284 D HA 0.031 4.671 4.640 -0.000 0.000 0.251 284 D C 0.956 177.253 176.300 -0.005 0.000 1.252 284 D CA -0.569 53.453 54.000 0.037 0.000 0.999 284 D CB 0.626 41.486 40.800 0.101 0.000 1.093 284 D HN 0.550 nan 8.370 nan 0.000 0.515 285 K N -0.765 119.624 120.400 -0.018 0.000 2.211 285 K HA -0.186 4.134 4.320 -0.000 0.000 0.204 285 K C 0.358 176.933 176.600 -0.042 0.000 1.047 285 K CA 1.417 57.687 56.287 -0.028 0.000 0.935 285 K CB -0.234 32.260 32.500 -0.011 0.000 0.728 285 K HN 0.278 nan 8.250 nan 0.000 0.452 286 D N 0.081 120.483 120.400 0.003 0.000 2.354 286 D HA 0.052 4.692 4.640 -0.000 0.000 0.209 286 D C 0.927 177.121 176.300 -0.177 0.000 1.015 286 D CA 1.009 54.988 54.000 -0.035 0.000 0.867 286 D CB 0.780 41.656 40.800 0.126 0.000 0.933 286 D HN 0.538 nan 8.370 nan 0.000 0.520 287 G N 1.197 109.927 108.800 -0.117 0.000 2.130 287 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 287 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 287 G C 0.035 174.924 174.900 -0.017 0.000 0.999 287 G CA -0.432 44.603 45.100 -0.107 0.000 0.686 287 G HN 0.349 nan 8.290 nan 0.000 0.515 288 H N -0.126 119.072 119.070 0.214 0.000 2.481 288 H HA 0.393 4.949 4.556 -0.000 0.000 0.339 288 H C 1.063 176.489 175.328 0.163 0.000 1.131 288 H CA -0.586 55.616 56.048 0.257 0.000 1.301 288 H CB 1.159 31.123 29.762 0.336 0.000 1.476 288 H HN 0.044 nan 8.280 nan 0.000 0.529 289 I N 2.311 122.988 120.570 0.178 0.000 2.815 289 I HA -0.115 4.055 4.170 -0.000 0.000 0.291 289 I C 0.609 176.844 176.117 0.197 0.000 1.209 289 I CA 0.635 61.983 61.300 0.080 0.000 1.431 289 I CB 0.050 38.029 38.000 -0.034 0.000 1.351 289 I HN 0.288 nan 8.210 nan 0.000 0.585 290 K N 7.254 127.732 120.400 0.130 0.000 2.640 290 K HA 0.470 4.790 4.320 -0.000 0.000 0.245 290 K C -0.575 176.073 176.600 0.081 0.000 0.962 290 K CA -0.580 55.797 56.287 0.151 0.000 0.896 290 K CB 1.767 34.350 32.500 0.138 0.000 1.147 290 K HN 0.425 nan 8.250 nan 0.000 0.445 291 I N 1.767 122.374 120.570 0.062 0.000 2.556 291 I HA 0.036 4.206 4.170 -0.000 0.000 0.284 291 I C 1.035 177.104 176.117 -0.080 0.000 1.114 291 I CA 0.499 61.730 61.300 -0.114 0.000 1.418 291 I CB 0.934 38.744 38.000 -0.316 0.000 1.394 291 I HN 0.389 nan 8.210 nan 0.000 0.552 292 T N 3.373 117.806 114.554 -0.201 0.000 2.926 292 T HA 0.317 4.667 4.350 -0.000 0.000 0.289 292 T C -1.240 173.250 174.700 -0.350 0.000 1.054 292 T CA -0.282 61.739 62.100 -0.133 0.000 1.015 292 T CB 0.899 69.778 68.868 0.018 0.000 1.167 292 T HN 0.667 nan 8.240 nan 0.000 0.526 293 D N 0.878 121.170 120.400 -0.180 0.000 4.161 293 D HA -0.130 4.510 4.640 -0.000 0.000 0.246 293 D C -0.476 175.703 176.300 -0.202 0.000 1.064 293 D CA 0.704 54.623 54.000 -0.134 0.000 1.187 293 D CB -1.136 39.601 40.800 -0.105 0.000 0.871 293 D HN 0.451 nan 8.370 nan 0.000 0.413 294 F N -0.195 119.785 119.950 0.050 0.000 2.641 294 F HA 0.326 4.852 4.527 -0.000 0.000 0.302 294 F C 2.249 178.043 175.800 -0.010 0.000 1.098 294 F CA 0.113 58.176 58.000 0.104 0.000 1.318 294 F CB 0.608 39.668 39.000 0.100 0.000 1.035 294 F HN 0.414 nan 8.300 nan 0.000 0.551 295 G N 0.274 109.093 108.800 0.032 0.000 2.432 295 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 295 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 295 G C 1.448 176.304 174.900 -0.073 0.000 1.135 295 G CA 0.501 45.603 45.100 0.004 0.000 0.767 295 G HN 0.372 nan 8.290 nan 0.000 0.550 296 L N 0.658 121.760 121.223 -0.201 0.000 2.611 296 L HA 0.226 4.566 4.340 -0.000 0.000 0.229 296 L C 0.714 177.517 176.870 -0.112 0.000 1.137 296 L CA -0.911 53.803 54.840 -0.211 0.000 0.901 296 L CB -0.120 41.750 42.059 -0.314 0.000 1.098 296 L HN 0.079 nan 8.230 nan 0.000 0.456 297 C N 1.014 120.294 119.300 -0.034 0.000 2.679 297 C HA 0.083 4.543 4.460 -0.000 0.000 0.417 297 C C 0.922 175.946 174.990 0.057 0.000 1.302 297 C CA -0.076 58.972 59.018 0.050 0.000 1.973 297 C CB 0.166 28.014 27.740 0.180 0.000 2.715 297 C HN 0.201 nan 8.230 nan 0.000 0.628 298 K N 2.504 122.933 120.400 0.048 0.000 2.274 298 K HA 0.374 4.694 4.320 -0.000 0.000 0.262 298 K C -0.282 176.331 176.600 0.023 0.000 0.961 298 K CA 0.030 56.336 56.287 0.030 0.000 0.833 298 K CB 0.662 33.166 32.500 0.008 0.000 1.102 298 K HN 0.702 nan 8.250 nan 0.000 0.436 299 E N 1.427 121.636 120.200 0.016 0.000 2.250 299 E HA 0.446 4.796 4.350 -0.000 0.000 0.269 299 E C 0.027 176.619 176.600 -0.014 0.000 1.018 299 E CA -0.498 55.904 56.400 0.004 0.000 0.873 299 E CB 1.016 30.720 29.700 0.006 0.000 1.134 299 E HN 0.774 nan 8.360 nan 0.000 0.403 300 G N 1.773 110.561 108.800 -0.021 0.000 2.225 300 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.264 300 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.264 300 G C -0.218 174.661 174.900 -0.035 0.000 1.060 300 G CA -0.371 44.713 45.100 -0.026 0.000 0.833 300 G HN 0.298 nan 8.290 nan 0.000 0.498 301 I N 1.921 122.465 120.570 -0.043 0.000 2.464 301 I HA 0.359 4.529 4.170 -0.000 0.000 0.277 301 I C 0.692 176.772 176.117 -0.062 0.000 1.040 301 I CA -0.434 60.832 61.300 -0.057 0.000 1.153 301 I CB 0.858 38.816 38.000 -0.070 0.000 1.274 301 I HN 0.369 nan 8.210 nan 0.000 0.469 302 S N 3.624 119.296 115.700 -0.047 0.000 2.681 302 S HA 0.634 5.104 4.470 -0.000 0.000 0.299 302 S C 0.190 174.771 174.600 -0.031 0.000 1.113 302 S CA -0.510 57.668 58.200 -0.037 0.000 1.013 302 S CB 2.463 65.648 63.200 -0.024 0.000 1.076 302 S HN 0.582 nan 8.310 nan 0.000 0.534 303 D N 1.551 121.942 120.400 -0.016 0.000 3.945 303 D HA -0.221 4.419 4.640 -0.000 0.000 0.166 303 D C 1.125 177.422 176.300 -0.006 0.000 0.775 303 D CA 2.286 56.286 54.000 -0.001 0.000 0.954 303 D CB -1.484 39.317 40.800 0.002 0.000 0.433 303 D HN 0.948 nan 8.370 nan 0.000 0.385 304 G N 0.168 108.966 108.800 -0.004 0.000 3.448 304 G HA2 0.505 4.465 3.960 -0.000 0.000 0.261 304 G HA3 0.505 4.465 3.960 -0.000 0.000 0.261 304 G C 0.444 175.333 174.900 -0.019 0.000 1.173 304 G CA 0.793 45.892 45.100 -0.003 0.000 0.835 304 G HN 0.662 nan 8.290 nan 0.000 0.534 305 A N 0.495 123.295 122.820 -0.034 0.000 2.433 305 A HA 0.612 4.932 4.320 -0.000 0.000 0.250 305 A C 0.938 178.482 177.584 -0.067 0.000 1.113 305 A CA 0.876 52.884 52.037 -0.049 0.000 0.794 305 A CB 0.117 19.085 19.000 -0.053 0.000 1.067 305 A HN 0.849 nan 8.150 nan 0.000 0.510 306 T N -2.442 112.054 114.554 -0.096 0.000 2.864 306 T HA 0.726 5.076 4.350 -0.000 0.000 0.299 306 T C -0.527 174.036 174.700 -0.228 0.000 1.166 306 T CA -0.736 61.270 62.100 -0.156 0.000 1.007 306 T CB 1.143 69.924 68.868 -0.145 0.000 1.219 306 T HN 0.574 nan 8.240 nan 0.000 0.506 307 M N 1.045 120.386 119.600 -0.433 0.000 2.572 307 M HA 0.570 5.050 4.480 -0.000 0.000 0.299 307 M C -0.409 175.447 176.300 -0.740 0.000 1.205 307 M CA -0.815 54.165 55.300 -0.532 0.000 0.876 307 M CB 2.805 35.059 32.600 -0.576 0.000 1.728 307 M HN 0.542 nan 8.290 nan 0.000 0.458 311 C N 2.742 121.890 119.300 -0.253 0.000 3.306 311 C HA 1.063 5.523 4.460 -0.000 0.000 0.335 311 C C 0.106 174.900 174.990 -0.327 0.000 1.382 311 C CA 0.024 58.866 59.018 -0.293 0.000 1.254 311 C CB 1.239 28.911 27.740 -0.113 0.000 1.555 311 C HN 1.925 nan 8.230 nan 0.000 0.463 312 G N 0.684 109.312 108.800 -0.287 0.000 2.240 312 G HA2 0.464 4.424 3.960 -0.000 0.000 0.199 312 G HA3 0.464 4.424 3.960 -0.000 0.000 0.199 312 G C -0.875 173.910 174.900 -0.191 0.000 1.342 312 G CA 0.178 45.133 45.100 -0.242 0.000 1.145 312 G HN 1.599 nan 8.290 nan 0.000 0.477 313 T N 2.364 116.850 114.554 -0.113 0.000 2.881 313 T HA 0.578 4.928 4.350 -0.000 0.000 0.291 313 T C -1.827 172.902 174.700 0.048 0.000 0.990 313 T CA -0.675 61.412 62.100 -0.021 0.000 0.976 313 T CB 2.694 71.580 68.868 0.030 0.000 0.970 313 T HN 0.233 nan 8.240 nan 0.000 0.438 314 P HA -0.185 nan 4.420 nan 0.000 0.217 314 P C 1.159 178.551 177.300 0.153 0.000 1.158 314 P CA 1.357 64.478 63.100 0.036 0.000 0.887 314 P CB 0.274 31.780 31.700 -0.323 0.000 0.792 315 E N -2.748 117.545 120.200 0.155 0.000 2.274 315 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 315 E C 1.052 177.712 176.600 0.100 0.000 0.996 315 E CA 0.925 57.404 56.400 0.132 0.000 0.840 315 E CB -0.490 29.264 29.700 0.091 0.000 0.772 315 E HN 0.465 nan 8.360 nan 0.000 0.491 316 Y N -0.312 120.082 120.300 0.157 0.000 2.507 316 Y HA 0.254 4.804 4.550 -0.000 0.000 0.254 316 Y C 0.228 176.284 175.900 0.259 0.000 1.171 316 Y CA -0.414 57.821 58.100 0.225 0.000 1.238 316 Y CB 0.340 38.870 38.460 0.116 0.000 1.148 316 Y HN -0.116 nan 8.280 nan 0.000 0.525 317 L N 0.876 122.228 121.223 0.215 0.000 2.456 317 L HA 0.287 4.627 4.340 -0.000 0.000 0.272 317 L C 0.663 177.382 176.870 -0.251 0.000 1.189 317 L CA -0.511 54.302 54.840 -0.044 0.000 0.846 317 L CB 0.493 42.451 42.059 -0.168 0.000 1.111 317 L HN 0.122 nan 8.230 nan 0.000 0.475 318 A N 4.443 126.921 122.820 -0.570 0.000 2.302 318 A HA 0.459 4.779 4.320 -0.000 0.000 0.285 318 A C -1.744 175.318 177.584 -0.870 0.000 1.105 318 A CA -1.452 49.833 52.037 -1.253 0.000 0.816 318 A CB 0.517 19.026 19.000 -0.818 0.000 1.067 318 A HN 0.573 nan 8.150 nan 0.000 0.489 319 P HA -0.250 nan 4.420 nan 0.000 0.216 319 P C 1.347 178.419 177.300 -0.380 0.000 1.154 319 P CA 1.908 64.669 63.100 -0.565 0.000 0.865 319 P CB 0.145 31.542 31.700 -0.504 0.000 0.789 320 E N -0.381 119.613 120.200 -0.344 0.000 2.150 320 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 320 E C 1.715 178.192 176.600 -0.205 0.000 0.985 320 E CA 1.314 57.591 56.400 -0.205 0.000 0.814 320 E CB -1.274 28.358 29.700 -0.114 0.000 0.752 320 E HN 0.120 nan 8.360 nan 0.000 0.466 321 V N 1.390 121.098 119.914 -0.344 0.000 2.970 321 V HA -0.117 4.003 4.120 -0.000 0.000 0.260 321 V C 2.277 178.265 176.094 -0.177 0.000 1.100 321 V CA 0.974 63.077 62.300 -0.328 0.000 1.122 321 V CB -0.476 31.045 31.823 -0.503 0.000 0.721 321 V HN 0.215 nan 8.190 nan 0.000 0.483 322 L N -0.630 120.434 121.223 -0.266 0.000 2.607 322 L HA 0.214 4.554 4.340 -0.000 0.000 0.228 322 L C 0.791 177.484 176.870 -0.296 0.000 1.123 322 L CA 0.262 54.901 54.840 -0.336 0.000 0.890 322 L CB 0.073 41.916 42.059 -0.359 0.000 1.103 322 L HN 0.388 nan 8.230 nan 0.000 0.468 323 E N -0.195 119.872 120.200 -0.222 0.000 2.250 323 E HA 0.178 4.528 4.350 -0.000 0.000 0.269 323 E C -0.763 175.745 176.600 -0.154 0.000 1.018 323 E CA -0.934 55.367 56.400 -0.166 0.000 0.873 323 E CB 1.185 30.814 29.700 -0.118 0.000 1.134 323 E HN -0.025 nan 8.360 nan 0.000 0.403 324 D N 1.379 121.701 120.400 -0.130 0.000 2.362 324 D HA -0.004 4.636 4.640 -0.000 0.000 0.238 324 D C 0.787 177.050 176.300 -0.062 0.000 1.212 324 D CA 0.501 54.434 54.000 -0.113 0.000 0.902 324 D CB 0.404 41.148 40.800 -0.094 0.000 1.180 324 D HN 0.594 nan 8.370 nan 0.000 0.445 325 N N -0.501 118.169 118.700 -0.050 0.000 1.232 325 N HA -0.218 4.522 4.740 -0.000 0.000 0.136 325 N C -0.894 174.617 175.510 0.002 0.000 0.858 325 N CA 1.267 54.298 53.050 -0.032 0.000 0.928 325 N CB -0.690 37.775 38.487 -0.036 0.000 1.138 325 N HN 0.646 nan 8.380 nan 0.000 0.571 326 D N -0.078 120.311 120.400 -0.019 0.000 2.384 326 D HA 0.587 5.227 4.640 -0.000 0.000 0.250 326 D C -0.760 175.550 176.300 0.018 0.000 1.029 326 D CA -0.024 53.918 54.000 -0.097 0.000 0.990 326 D CB 1.006 41.726 40.800 -0.132 0.000 1.175 326 D HN 0.566 nan 8.370 nan 0.000 0.532 327 Y N -3.184 117.097 120.300 -0.032 0.000 2.624 327 Y HA 0.679 5.229 4.550 -0.000 0.000 0.334 327 Y C -0.272 175.613 175.900 -0.026 0.000 1.155 327 Y CA -1.359 56.722 58.100 -0.031 0.000 1.046 327 Y CB 0.943 39.379 38.460 -0.040 0.000 1.316 327 Y HN 0.574 nan 8.280 nan 0.000 0.457 328 G N 0.598 109.515 108.800 0.196 0.000 2.613 328 G HA2 0.417 4.377 3.960 -0.000 0.000 0.303 328 G HA3 0.417 4.377 3.960 -0.000 0.000 0.303 328 G C 0.163 175.135 174.900 0.119 0.000 1.312 328 G CA -0.960 44.197 45.100 0.096 0.000 1.036 328 G HN 0.991 nan 8.290 nan 0.000 0.513 329 R N -1.221 119.289 120.500 0.017 0.000 2.293 329 R HA 0.061 4.401 4.340 -0.000 0.000 0.219 329 R C 1.782 178.100 176.300 0.029 0.000 1.091 329 R CA 1.303 57.358 56.100 -0.075 0.000 1.004 329 R CB -0.356 29.727 30.300 -0.362 0.000 0.865 329 R HN 0.324 nan 8.270 nan 0.000 0.469 330 A N 1.707 124.623 122.820 0.161 0.000 2.248 330 A HA 0.010 4.330 4.320 -0.000 0.000 0.210 330 A C 2.209 179.926 177.584 0.222 0.000 1.174 330 A CA 0.932 53.152 52.037 0.306 0.000 0.750 330 A CB -0.358 18.838 19.000 0.326 0.000 0.780 330 A HN 0.319 nan 8.150 nan 0.000 0.478 331 V N -2.155 117.827 119.914 0.114 0.000 2.490 331 V HA -0.209 3.911 4.120 -0.000 0.000 0.250 331 V C 1.623 177.774 176.094 0.094 0.000 1.061 331 V CA 2.111 64.461 62.300 0.083 0.000 1.064 331 V CB -0.805 30.988 31.823 -0.049 0.000 0.670 331 V HN 0.395 nan 8.190 nan 0.000 0.461 332 D N -0.153 120.208 120.400 -0.065 0.000 2.264 332 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 332 D C 1.778 177.920 176.300 -0.264 0.000 0.966 332 D CA 1.492 55.363 54.000 -0.215 0.000 0.864 332 D CB -0.265 40.311 40.800 -0.373 0.000 0.933 332 D HN 0.760 nan 8.370 nan 0.000 0.499 333 W N 0.022 121.454 121.300 0.220 0.000 2.576 333 W HA 0.019 4.679 4.660 0.000 0.000 0.270 333 W C 2.344 178.977 176.519 0.190 0.000 1.255 333 W CA -0.624 56.825 57.345 0.173 0.000 1.314 333 W CB -0.386 29.169 29.460 0.158 0.000 1.101 333 W HN 0.013 nan 8.180 nan 0.000 0.595 334 W N 1.687 123.126 121.300 0.232 0.000 2.354 334 W HA -0.143 4.517 4.660 -0.000 0.000 0.315 334 W C 1.967 178.583 176.519 0.163 0.000 1.206 334 W CA 2.399 59.845 57.345 0.167 0.000 1.290 334 W CB -1.011 28.511 29.460 0.105 0.000 1.152 334 W HN -0.025 nan 8.180 nan 0.000 0.489 335 G N 1.842 110.830 108.800 0.315 0.000 2.491 335 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.218 335 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.218 335 G C 1.403 176.388 174.900 0.141 0.000 1.180 335 G CA 1.516 46.750 45.100 0.224 0.000 0.774 335 G HN 0.311 nan 8.290 nan 0.000 0.562 336 L N 1.820 123.124 121.223 0.135 0.000 2.021 336 L HA -0.035 4.305 4.340 -0.000 0.000 0.215 336 L C 2.784 179.726 176.870 0.119 0.000 1.074 336 L CA 2.747 57.685 54.840 0.163 0.000 0.760 336 L CB -1.146 41.091 42.059 0.297 0.000 0.889 336 L HN 0.193 nan 8.230 nan 0.000 0.433 337 G N -1.316 107.516 108.800 0.052 0.000 2.442 337 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 337 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 337 G C 1.533 176.355 174.900 -0.130 0.000 1.141 337 G CA 1.110 46.164 45.100 -0.076 0.000 0.763 337 G HN 0.383 nan 8.290 nan 0.000 0.554 338 V N 1.113 120.923 119.914 -0.173 0.000 2.343 338 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 338 V C 3.156 179.296 176.094 0.078 0.000 1.051 338 V CA 1.805 64.032 62.300 -0.122 0.000 1.036 338 V CB -0.346 31.431 31.823 -0.077 0.000 0.654 338 V HN 0.426 nan 8.190 nan 0.000 0.451 339 V N -2.972 117.055 119.914 0.188 0.000 2.548 339 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 339 V C 2.285 178.454 176.094 0.126 0.000 1.055 339 V CA 1.479 63.891 62.300 0.187 0.000 1.065 339 V CB -0.565 31.365 31.823 0.179 0.000 0.681 339 V HN 0.343 nan 8.190 nan 0.000 0.462 340 M N -0.550 119.111 119.600 0.103 0.000 2.132 340 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 340 M C 2.253 178.563 176.300 0.017 0.000 1.065 340 M CA 2.021 57.359 55.300 0.064 0.000 1.122 340 M CB -1.228 31.374 32.600 0.003 0.000 1.365 340 M HN 0.603 nan 8.290 nan 0.000 0.411 341 Y N 1.659 121.900 120.300 -0.097 0.000 2.070 341 Y HA -0.262 4.288 4.550 -0.000 0.000 0.280 341 Y C 2.304 178.134 175.900 -0.117 0.000 1.148 341 Y CA 2.196 60.217 58.100 -0.131 0.000 1.125 341 Y CB -0.284 38.048 38.460 -0.213 0.000 0.975 341 Y HN 0.318 nan 8.280 nan 0.000 0.492 342 E N -0.334 119.914 120.200 0.080 0.000 2.086 342 E HA -0.318 4.032 4.350 -0.000 0.000 0.200 342 E C 2.227 178.754 176.600 -0.121 0.000 1.012 342 E CA 1.912 58.303 56.400 -0.015 0.000 0.812 342 E CB -0.344 29.371 29.700 0.025 0.000 0.743 342 E HN 0.561 nan 8.360 nan 0.000 0.453 343 M N -0.552 119.000 119.600 -0.081 0.000 2.229 343 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 343 M C 2.132 178.354 176.300 -0.130 0.000 1.063 343 M CA 1.296 56.507 55.300 -0.148 0.000 1.114 343 M CB 0.040 32.714 32.600 0.123 0.000 1.387 343 M HN 0.178 nan 8.290 nan 0.000 0.420 344 M N -2.270 117.260 119.600 -0.116 0.000 2.615 344 M HA -0.030 4.450 4.480 -0.000 0.000 0.262 344 M C 1.531 177.708 176.300 -0.205 0.000 1.198 344 M CA 0.542 55.775 55.300 -0.112 0.000 1.165 344 M CB 0.524 33.064 32.600 -0.100 0.000 1.310 344 M HN 0.289 nan 8.290 nan 0.000 0.494 345 C N -0.116 118.973 119.300 -0.352 0.000 2.926 345 C HA 0.389 4.849 4.460 -0.000 0.000 0.272 345 C C 1.727 176.560 174.990 -0.261 0.000 1.249 345 C CA 0.170 58.942 59.018 -0.410 0.000 1.691 345 C CB -0.520 26.673 27.740 -0.912 0.000 1.983 345 C HN 0.824 nan 8.230 nan 0.000 0.615 346 G N 2.059 110.730 108.800 -0.215 0.000 2.189 346 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.267 346 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.267 346 G C 0.129 174.961 174.900 -0.113 0.000 0.975 346 G CA 0.876 45.879 45.100 -0.162 0.000 0.644 346 G HN 0.753 nan 8.290 nan 0.000 0.537 347 R N -1.379 119.073 120.500 -0.080 0.000 2.885 347 R HA 0.811 5.151 4.340 -0.000 0.000 0.260 347 R C -0.297 176.026 176.300 0.039 0.000 1.107 347 R CA -1.282 54.801 56.100 -0.029 0.000 0.978 347 R CB 0.868 31.159 30.300 -0.017 0.000 1.227 347 R HN 0.124 nan 8.270 nan 0.000 0.473 348 L N 1.931 123.134 121.223 -0.034 0.000 2.426 348 L HA 0.198 4.538 4.340 -0.000 0.000 0.271 348 L C -1.301 175.456 176.870 -0.188 0.000 1.169 348 L CA -1.853 52.926 54.840 -0.101 0.000 0.836 348 L CB 1.061 43.038 42.059 -0.135 0.000 1.112 348 L HN 0.592 nan 8.230 nan 0.000 0.465 349 P HA -0.151 nan 4.420 nan 0.000 0.216 349 P C -0.352 176.290 177.300 -1.097 0.000 1.150 349 P CA 1.522 63.813 63.100 -1.348 0.000 0.837 349 P CB 0.112 30.683 31.700 -1.882 0.000 0.786 350 F N -2.252 117.603 119.950 -0.158 0.000 2.569 350 F HA 0.562 5.089 4.527 -0.000 0.000 0.312 350 F C -0.377 175.471 175.800 0.080 0.000 1.109 350 F CA -1.149 56.832 58.000 -0.033 0.000 0.919 350 F CB 1.486 40.481 39.000 -0.008 0.000 1.211 350 F HN -0.242 nan 8.300 nan 0.000 0.446 351 Y N 2.673 123.043 120.300 0.116 0.000 2.482 351 Y HA 0.525 5.075 4.550 -0.000 0.000 0.334 351 Y C -1.644 174.281 175.900 0.041 0.000 1.091 351 Y CA -1.041 57.093 58.100 0.055 0.000 1.027 351 Y CB 1.778 40.246 38.460 0.014 0.000 1.306 351 Y HN 0.728 nan 8.280 nan 0.000 0.446 352 N N 3.701 121.812 118.700 -0.981 0.000 2.446 352 N HA 0.096 4.836 4.740 -0.000 0.000 0.272 352 N C -0.241 174.676 175.510 -0.988 0.000 1.127 352 N CA -0.147 52.406 53.050 -0.829 0.000 0.896 352 N CB 2.179 40.464 38.487 -0.337 0.000 1.658 352 N HN 0.929 nan 8.380 nan 0.000 0.483 353 Q N 0.714 120.148 119.800 -0.609 0.000 2.230 353 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 353 Q C -0.273 175.594 176.000 -0.222 0.000 0.963 353 Q CA 1.084 56.711 55.803 -0.293 0.000 0.866 353 Q CB 0.014 28.714 28.738 -0.065 0.000 0.931 353 Q HN 0.477 nan 8.270 nan 0.000 0.452 354 D N 0.122 120.386 120.400 -0.226 0.000 2.317 354 D HA 0.042 4.682 4.640 -0.000 0.000 0.252 354 D C 0.171 176.336 176.300 -0.226 0.000 1.174 354 D CA -0.098 53.774 54.000 -0.213 0.000 0.866 354 D CB 0.641 41.346 40.800 -0.159 0.000 1.127 354 D HN 0.260 nan 8.370 nan 0.000 0.467 355 H N 2.282 121.125 119.070 -0.377 0.000 2.421 355 H HA -0.102 4.454 4.556 -0.000 0.000 0.298 355 H C 1.173 175.979 175.328 -0.869 0.000 1.087 355 H CA 0.893 56.502 56.048 -0.731 0.000 1.330 355 H CB 0.584 29.928 29.762 -0.696 0.000 1.388 355 H HN 0.603 nan 8.280 nan 0.000 0.526 356 E N 0.575 120.604 120.200 -0.285 0.000 2.072 356 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 356 E C 2.237 178.758 176.600 -0.130 0.000 0.985 356 E CA 0.507 56.822 56.400 -0.142 0.000 0.801 356 E CB 0.145 29.814 29.700 -0.051 0.000 0.750 356 E HN 0.364 nan 8.360 nan 0.000 0.452 357 R N 0.506 120.914 120.500 -0.153 0.000 2.115 357 R HA -0.057 4.282 4.340 -0.000 0.000 0.226 357 R C 2.405 178.624 176.300 -0.135 0.000 1.100 357 R CA 0.463 56.493 56.100 -0.118 0.000 0.980 357 R CB -0.712 29.519 30.300 -0.115 0.000 0.875 357 R HN 0.177 nan 8.270 nan 0.000 0.445 358 L N 0.635 121.720 121.223 -0.229 0.000 1.994 358 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 358 L C 2.100 178.948 176.870 -0.036 0.000 1.071 358 L CA 1.700 56.425 54.840 -0.192 0.000 0.745 358 L CB -0.783 41.086 42.059 -0.316 0.000 0.892 358 L HN 0.036 nan 8.230 nan 0.000 0.431 359 F N -0.394 119.514 119.950 -0.070 0.000 2.216 359 F HA -0.197 4.330 4.527 -0.000 0.000 0.300 359 F C 2.488 178.211 175.800 -0.129 0.000 1.085 359 F CA 0.792 58.736 58.000 -0.094 0.000 1.326 359 F CB -0.310 38.660 39.000 -0.051 0.000 1.027 359 F HN 0.232 nan 8.300 nan 0.000 0.497 360 E N 0.817 121.055 120.200 0.063 0.000 2.085 360 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 360 E C 2.229 178.779 176.600 -0.082 0.000 0.994 360 E CA 1.250 57.641 56.400 -0.015 0.000 0.801 360 E CB -0.241 29.446 29.700 -0.022 0.000 0.743 360 E HN 0.459 nan 8.360 nan 0.000 0.453 361 L N 0.463 121.622 121.223 -0.106 0.000 2.056 361 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 361 L C 2.454 178.988 176.870 -0.559 0.000 1.078 361 L CA 0.843 55.568 54.840 -0.191 0.000 0.749 361 L CB -0.355 41.671 42.059 -0.055 0.000 0.901 361 L HN 0.127 nan 8.230 nan 0.000 0.433 362 I N -0.275 119.971 120.570 -0.539 0.000 2.163 362 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 362 I C 2.400 178.230 176.117 -0.478 0.000 1.085 362 I CA 1.557 62.443 61.300 -0.689 0.000 1.347 362 I CB -0.262 37.568 38.000 -0.283 0.000 1.044 362 I HN 0.211 nan 8.210 nan 0.000 0.408 363 L N -0.658 120.392 121.223 -0.288 0.000 2.156 363 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 363 L C 2.111 178.884 176.870 -0.162 0.000 1.095 363 L CA 1.219 55.931 54.840 -0.214 0.000 0.770 363 L CB -0.082 41.888 42.059 -0.149 0.000 0.914 363 L HN 0.318 nan 8.230 nan 0.000 0.439 364 M N -2.514 116.992 119.600 -0.156 0.000 2.231 364 M HA 0.160 4.640 4.480 -0.000 0.000 0.347 364 M C -0.084 176.190 176.300 -0.043 0.000 0.901 364 M CA -0.060 55.192 55.300 -0.080 0.000 1.064 364 M CB 1.043 33.609 32.600 -0.057 0.000 1.861 364 M HN -0.133 nan 8.290 nan 0.000 0.638 365 E N 3.244 123.406 120.200 -0.064 0.000 2.249 365 E HA 0.155 4.505 4.350 -0.000 0.000 0.280 365 E C -0.524 176.176 176.600 0.166 0.000 1.016 365 E CA -0.167 56.266 56.400 0.055 0.000 0.830 365 E CB 0.836 30.603 29.700 0.111 0.000 1.081 365 E HN 0.255 nan 8.360 nan 0.000 0.395 366 E N 4.372 124.660 120.200 0.147 0.000 2.343 366 E HA 0.247 4.597 4.350 -0.000 0.000 0.269 366 E C 0.277 176.940 176.600 0.105 0.000 1.047 366 E CA -0.669 55.818 56.400 0.145 0.000 0.874 366 E CB 0.801 30.553 29.700 0.088 0.000 1.033 366 E HN 0.553 nan 8.360 nan 0.000 0.409 367 I N -0.616 119.947 120.570 -0.011 0.000 2.882 367 I HA 0.324 4.494 4.170 -0.000 0.000 0.286 367 I C -0.068 175.766 176.117 -0.473 0.000 1.139 367 I CA -0.831 60.254 61.300 -0.358 0.000 1.379 367 I CB 0.563 38.201 38.000 -0.603 0.000 1.410 367 I HN 0.434 nan 8.210 nan 0.000 0.594 368 R N 3.063 123.257 120.500 -0.510 0.000 2.778 368 R HA 0.682 5.022 4.340 -0.000 0.000 0.277 368 R C -1.616 174.378 176.300 -0.509 0.000 0.977 368 R CA -0.617 55.233 56.100 -0.418 0.000 0.950 368 R CB 2.006 32.221 30.300 -0.142 0.000 1.165 368 R HN 0.502 nan 8.270 nan 0.000 0.474 369 F N 0.684 120.672 119.950 0.063 0.000 2.532 369 F HA 0.423 4.950 4.527 -0.000 0.000 0.321 369 F C -1.830 173.958 175.800 -0.020 0.000 1.089 369 F CA -2.794 55.216 58.000 0.016 0.000 0.926 369 F CB 0.860 39.864 39.000 0.006 0.000 1.168 369 F HN 0.233 nan 8.300 nan 0.000 0.459 370 P HA 0.177 nan 4.420 nan 0.000 0.265 370 P C 0.600 177.943 177.300 0.071 0.000 1.193 370 P CA -0.098 63.032 63.100 0.050 0.000 0.765 370 P CB 0.759 32.453 31.700 -0.011 0.000 0.823 371 R N 0.955 121.485 120.500 0.049 0.000 2.105 371 R HA -0.111 4.229 4.340 -0.000 0.000 0.239 371 R C 1.611 177.921 176.300 0.015 0.000 1.135 371 R CA 2.009 58.131 56.100 0.038 0.000 0.967 371 R CB -0.641 29.675 30.300 0.026 0.000 0.861 371 R HN 0.653 nan 8.270 nan 0.000 0.442 372 T N -1.656 112.903 114.554 0.007 0.000 3.144 372 T HA 0.140 4.490 4.350 -0.000 0.000 0.249 372 T C 0.568 175.263 174.700 -0.008 0.000 1.089 372 T CA -0.367 61.731 62.100 -0.003 0.000 0.989 372 T CB 0.010 68.875 68.868 -0.005 0.000 0.992 372 T HN -0.095 nan 8.240 nan 0.000 0.540 373 L N 4.086 125.305 121.223 -0.008 0.000 2.514 373 L HA 0.274 4.614 4.340 -0.000 0.000 0.280 373 L C 0.789 177.642 176.870 -0.028 0.000 1.223 373 L CA 0.125 54.955 54.840 -0.017 0.000 0.864 373 L CB 0.503 42.552 42.059 -0.016 0.000 1.118 373 L HN 0.491 nan 8.230 nan 0.000 0.494 374 S N 4.079 119.773 115.700 -0.010 0.000 2.585 374 S HA 0.280 4.750 4.470 -0.000 0.000 0.273 374 S C -1.782 172.799 174.600 -0.033 0.000 1.339 374 S CA -0.836 57.360 58.200 -0.006 0.000 1.028 374 S CB 0.492 63.711 63.200 0.032 0.000 0.906 374 S HN 0.597 nan 8.310 nan 0.000 0.528 375 P HA -0.195 nan 4.420 nan 0.000 0.216 375 P C 1.613 178.902 177.300 -0.018 0.000 1.150 375 P CA 1.540 64.610 63.100 -0.050 0.000 0.843 375 P CB -0.037 31.644 31.700 -0.031 0.000 0.787 376 E N -0.320 119.911 120.200 0.052 0.000 2.158 376 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 376 E C 1.901 178.629 176.600 0.214 0.000 0.982 376 E CA 1.288 57.787 56.400 0.165 0.000 0.823 376 E CB -1.093 28.714 29.700 0.178 0.000 0.766 376 E HN 0.130 nan 8.360 nan 0.000 0.468 377 A N 2.052 124.960 122.820 0.146 0.000 1.930 377 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 377 A C 2.199 179.683 177.584 -0.166 0.000 1.175 377 A CA 1.480 53.477 52.037 -0.066 0.000 0.627 377 A CB -0.344 18.662 19.000 0.010 0.000 0.815 377 A HN 0.164 nan 8.150 nan 0.000 0.443 378 K N -0.389 119.899 120.400 -0.187 0.000 2.032 378 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 378 K C 2.463 178.889 176.600 -0.290 0.000 1.048 378 K CA 1.527 57.548 56.287 -0.442 0.000 0.927 378 K CB -0.282 31.820 32.500 -0.663 0.000 0.712 378 K HN 0.441 nan 8.250 nan 0.000 0.441 379 S N 1.106 116.733 115.700 -0.122 0.000 2.368 379 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 379 S C 1.955 176.570 174.600 0.025 0.000 1.030 379 S CA 1.002 59.224 58.200 0.038 0.000 0.999 379 S CB -0.206 63.102 63.200 0.179 0.000 0.844 379 S HN 0.249 nan 8.310 nan 0.000 0.459 380 L N 1.439 122.548 121.223 -0.190 0.000 2.017 380 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 380 L C 2.239 178.955 176.870 -0.257 0.000 1.073 380 L CA 1.733 56.233 54.840 -0.567 0.000 0.745 380 L CB -0.508 41.095 42.059 -0.760 0.000 0.894 380 L HN 0.377 nan 8.230 nan 0.000 0.432 381 L N -0.816 120.324 121.223 -0.137 0.000 2.046 381 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 381 L C 2.696 179.630 176.870 0.106 0.000 1.077 381 L CA 1.198 56.053 54.840 0.025 0.000 0.747 381 L CB -0.957 41.231 42.059 0.215 0.000 0.896 381 L HN 0.398 nan 8.230 nan 0.000 0.432 382 A N 0.299 123.231 122.820 0.187 0.000 1.902 382 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 382 A C 2.384 180.048 177.584 0.134 0.000 1.181 382 A CA 1.771 53.942 52.037 0.222 0.000 0.623 382 A CB -1.191 17.951 19.000 0.237 0.000 0.818 382 A HN 0.452 nan 8.150 nan 0.000 0.443 383 G N -0.222 108.627 108.800 0.082 0.000 2.433 383 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 383 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 383 G C 1.564 176.516 174.900 0.087 0.000 1.186 383 G CA 1.009 46.157 45.100 0.081 0.000 0.779 383 G HN 0.419 nan 8.290 nan 0.000 0.543 384 L N -0.311 120.935 121.223 0.039 0.000 2.056 384 L HA 0.038 4.378 4.340 -0.000 0.000 0.207 384 L C 1.693 178.602 176.870 0.066 0.000 1.078 384 L CA 0.279 55.164 54.840 0.076 0.000 0.749 384 L CB -0.217 41.861 42.059 0.031 0.000 0.901 384 L HN 0.119 nan 8.230 nan 0.000 0.433 385 L N 0.209 121.401 121.223 -0.052 0.000 2.737 385 L HA 0.128 4.468 4.340 -0.000 0.000 0.236 385 L C 0.506 177.527 176.870 0.252 0.000 1.219 385 L CA 0.257 54.986 54.840 -0.185 0.000 1.021 385 L CB -1.196 40.613 42.059 -0.418 0.000 1.291 385 L HN -0.027 nan 8.230 nan 0.000 0.470 386 K N 0.462 121.036 120.400 0.290 0.000 2.416 386 K HA 0.043 4.363 4.320 -0.000 0.000 0.283 386 K C 1.341 178.169 176.600 0.380 0.000 1.037 386 K CA 0.149 56.609 56.287 0.289 0.000 0.995 386 K CB 0.616 33.240 32.500 0.206 0.000 0.938 386 K HN 0.042 nan 8.250 nan 0.000 0.475 387 K N 1.541 122.121 120.400 0.300 0.000 2.148 387 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 387 K C 0.178 176.806 176.600 0.047 0.000 1.050 387 K CA 0.843 57.223 56.287 0.156 0.000 0.942 387 K CB -0.041 32.496 32.500 0.060 0.000 0.724 387 K HN 0.591 nan 8.250 nan 0.000 0.446 388 D N 1.877 122.325 120.400 0.079 0.000 2.325 388 D HA 0.035 4.675 4.640 -0.000 0.000 0.251 388 D C -1.621 174.732 176.300 0.089 0.000 1.196 388 D CA -2.442 51.591 54.000 0.055 0.000 0.866 388 D CB 1.326 42.159 40.800 0.055 0.000 1.101 388 D HN -0.109 nan 8.370 nan 0.000 0.476 389 P HA -0.159 nan 4.420 nan 0.000 0.223 389 P C 0.745 178.120 177.300 0.124 0.000 1.144 389 P CA 0.979 64.152 63.100 0.122 0.000 0.783 389 P CB 0.423 32.183 31.700 0.100 0.000 0.771 390 K N -0.273 120.182 120.400 0.091 0.000 2.262 390 K HA 0.021 4.341 4.320 -0.000 0.000 0.200 390 K C 2.048 178.695 176.600 0.078 0.000 1.049 390 K CA 0.742 57.077 56.287 0.079 0.000 0.979 390 K CB 0.036 32.570 32.500 0.057 0.000 0.773 390 K HN 0.300 nan 8.250 nan 0.000 0.474 391 Q N 0.511 120.362 119.800 0.085 0.000 2.425 391 Q HA 0.032 4.372 4.340 -0.000 0.000 0.204 391 Q C 0.552 176.615 176.000 0.106 0.000 0.933 391 Q CA -0.005 55.849 55.803 0.085 0.000 0.939 391 Q CB 0.394 29.182 28.738 0.083 0.000 1.044 391 Q HN 0.119 nan 8.270 nan 0.000 0.513 392 R N 1.256 121.835 120.500 0.132 0.000 2.490 392 R HA 0.121 4.461 4.340 -0.000 0.000 0.280 392 R C -0.604 175.763 176.300 0.112 0.000 1.077 392 R CA -0.417 55.780 56.100 0.161 0.000 1.065 392 R CB 0.425 30.868 30.300 0.238 0.000 1.003 392 R HN 0.009 nan 8.270 nan 0.000 0.470 393 L N 4.747 126.023 121.223 0.088 0.000 2.530 393 L HA 0.187 4.527 4.340 -0.000 0.000 0.273 393 L C 0.929 177.729 176.870 -0.116 0.000 1.141 393 L CA 1.831 56.676 54.840 0.007 0.000 0.905 393 L CB 0.744 42.812 42.059 0.014 0.000 1.202 393 L HN 0.978 nan 8.230 nan 0.000 0.473 394 G N 2.867 111.525 108.800 -0.236 0.000 2.176 394 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.232 394 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.232 394 G C 0.793 175.664 174.900 -0.049 0.000 0.986 394 G CA 0.156 44.934 45.100 -0.537 0.000 0.643 394 G HN 1.129 nan 8.290 nan 0.000 0.522 395 G N 0.381 109.231 108.800 0.083 0.000 2.777 395 G HA2 0.492 4.452 3.960 -0.000 0.000 0.211 395 G HA3 0.492 4.452 3.960 -0.000 0.000 0.211 395 G C 1.122 176.086 174.900 0.107 0.000 1.149 395 G CA 1.160 46.359 45.100 0.165 0.000 0.785 395 G HN 1.151 nan 8.290 nan 0.000 0.536 396 G N 0.662 109.498 108.800 0.059 0.000 2.525 396 G HA2 0.378 4.338 3.960 -0.000 0.000 0.276 396 G HA3 0.378 4.338 3.960 -0.000 0.000 0.276 396 G C -1.030 173.901 174.900 0.052 0.000 1.388 396 G CA -0.348 44.780 45.100 0.046 0.000 1.050 396 G HN 0.033 nan 8.290 nan 0.000 0.520 397 P HA 0.052 nan 4.420 nan 0.000 0.227 397 P C 1.901 179.223 177.300 0.037 0.000 1.161 397 P CA 1.057 64.180 63.100 0.039 0.000 0.788 397 P CB 0.224 31.940 31.700 0.026 0.000 0.822 398 S N -0.910 114.800 115.700 0.017 0.000 2.419 398 S HA -0.162 4.308 4.470 -0.000 0.000 0.233 398 S C 1.030 175.632 174.600 0.004 0.000 1.016 398 S CA 1.116 59.313 58.200 -0.004 0.000 0.974 398 S CB -1.160 62.019 63.200 -0.034 0.000 0.786 398 S HN 0.190 nan 8.310 nan 0.000 0.492 399 D N 1.341 121.761 120.400 0.033 0.000 4.100 399 D HA -0.350 4.290 4.640 -0.000 0.000 0.138 399 D C 1.343 177.566 176.300 -0.129 0.000 0.819 399 D CA 1.981 56.055 54.000 0.124 0.000 1.117 399 D CB -1.581 39.403 40.800 0.305 0.000 0.537 399 D HN 0.388 nan 8.370 nan 0.000 0.539 400 A N -0.080 122.717 122.820 -0.038 0.000 1.978 400 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 400 A C 2.038 179.371 177.584 -0.418 0.000 1.170 400 A CA 2.688 54.525 52.037 -0.334 0.000 0.636 400 A CB -0.639 18.321 19.000 -0.068 0.000 0.810 400 A HN 0.462 nan 8.150 nan 0.000 0.448 401 K N -0.261 119.981 120.400 -0.263 0.000 2.044 401 K HA -0.244 4.076 4.320 -0.000 0.000 0.210 401 K C 1.957 178.410 176.600 -0.244 0.000 1.049 401 K CA 1.948 58.084 56.287 -0.251 0.000 0.927 401 K CB -0.250 32.166 32.500 -0.139 0.000 0.713 401 K HN 0.661 nan 8.250 nan 0.000 0.443 402 E N -0.178 119.894 120.200 -0.213 0.000 2.086 402 E HA -0.219 4.131 4.350 -0.000 0.000 0.200 402 E C 1.956 178.464 176.600 -0.154 0.000 1.012 402 E CA 1.816 58.120 56.400 -0.159 0.000 0.812 402 E CB 0.014 29.620 29.700 -0.157 0.000 0.743 402 E HN 0.135 nan 8.360 nan 0.000 0.453 403 V N 0.840 120.558 119.914 -0.326 0.000 2.307 403 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 403 V C 2.255 178.304 176.094 -0.075 0.000 1.045 403 V CA 1.663 63.823 62.300 -0.234 0.000 1.024 403 V CB -0.381 31.124 31.823 -0.530 0.000 0.651 403 V HN 0.332 nan 8.190 nan 0.000 0.449 404 M N -0.533 118.831 119.600 -0.394 0.000 2.279 404 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 404 M C 1.870 178.164 176.300 -0.011 0.000 1.062 404 M CA 1.608 56.560 55.300 -0.580 0.000 1.099 404 M CB -0.415 31.372 32.600 -1.355 0.000 1.394 404 M HN 0.374 nan 8.290 nan 0.000 0.426 405 E N -0.863 119.336 120.200 -0.002 0.000 2.489 405 E HA -0.022 4.328 4.350 -0.000 0.000 0.193 405 E C 0.486 177.197 176.600 0.185 0.000 1.057 405 E CA -0.080 56.377 56.400 0.095 0.000 0.866 405 E CB 0.043 29.747 29.700 0.007 0.000 0.916 405 E HN 0.428 nan 8.360 nan 0.000 0.500 406 H N 1.690 120.879 119.070 0.198 0.000 2.732 406 H HA 0.029 4.585 4.556 -0.000 0.000 0.351 406 H C 1.299 176.766 175.328 0.232 0.000 1.090 406 H CA 0.453 56.623 56.048 0.203 0.000 1.431 406 H CB 0.776 30.682 29.762 0.240 0.000 1.447 406 H HN 0.064 nan 8.280 nan 0.000 0.582 407 R N 3.352 123.754 120.500 -0.164 0.000 2.200 407 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 407 R C 1.806 178.207 176.300 0.168 0.000 1.127 407 R CA 1.461 57.566 56.100 0.007 0.000 0.989 407 R CB -0.535 29.705 30.300 -0.099 0.000 0.869 407 R HN 0.472 nan 8.270 nan 0.000 0.459 408 F N 1.423 121.530 119.950 0.262 0.000 2.171 408 F HA -0.036 4.491 4.527 -0.000 0.000 0.300 408 F C 1.002 176.697 175.800 -0.175 0.000 1.090 408 F CA 1.204 59.183 58.000 -0.035 0.000 1.293 408 F CB -0.008 38.848 39.000 -0.241 0.000 1.013 408 F HN -0.074 nan 8.300 nan 0.000 0.486 409 F N -0.388 119.732 119.950 0.284 0.000 2.663 409 F HA 0.126 4.653 4.527 -0.000 0.000 0.299 409 F C 1.542 177.404 175.800 0.103 0.000 1.143 409 F CA -0.385 57.716 58.000 0.167 0.000 1.387 409 F CB -0.211 39.069 39.000 0.466 0.000 1.019 409 F HN -0.022 nan 8.300 nan 0.000 0.523 410 L N 0.561 121.884 121.223 0.166 0.000 2.127 410 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 410 L C 2.524 179.423 176.870 0.048 0.000 1.089 410 L CA 2.008 56.915 54.840 0.111 0.000 0.757 410 L CB -0.527 41.557 42.059 0.041 0.000 0.899 410 L HN 0.221 nan 8.230 nan 0.000 0.434 411 S N -1.378 114.311 115.700 -0.018 0.000 2.561 411 S HA 0.091 4.561 4.470 -0.000 0.000 0.225 411 S C 0.790 175.336 174.600 -0.091 0.000 0.977 411 S CA -0.266 57.899 58.200 -0.058 0.000 0.926 411 S CB -0.569 62.573 63.200 -0.097 0.000 0.769 411 S HN 0.153 nan 8.310 nan 0.000 0.533 412 I N 3.577 124.074 120.570 -0.121 0.000 2.365 412 I HA 0.316 4.486 4.170 -0.000 0.000 0.291 412 I C 0.165 176.060 176.117 -0.371 0.000 1.004 412 I CA -0.809 60.284 61.300 -0.346 0.000 1.311 412 I CB 0.646 38.231 38.000 -0.692 0.000 1.401 412 I HN 0.282 nan 8.210 nan 0.000 0.491 413 N N 5.712 124.227 118.700 -0.309 0.000 2.439 413 N HA 0.066 4.806 4.740 -0.000 0.000 0.249 413 N C 0.389 175.772 175.510 -0.211 0.000 1.003 413 N CA -0.316 52.632 53.050 -0.170 0.000 0.942 413 N CB 0.696 39.144 38.487 -0.066 0.000 1.115 413 N HN 0.487 nan 8.380 nan 0.000 0.505 414 W N 2.343 123.648 121.300 0.008 0.000 2.525 414 W HA -0.042 4.618 4.660 -0.000 0.000 0.259 414 W C 1.802 178.332 176.519 0.018 0.000 1.253 414 W CA 0.089 57.436 57.345 0.002 0.000 1.262 414 W CB 0.443 29.897 29.460 -0.009 0.000 1.122 414 W HN 0.613 nan 8.180 nan 0.000 0.607 415 Q N -0.274 119.628 119.800 0.171 0.000 2.089 415 Q HA -0.117 4.223 4.340 -0.000 0.000 0.195 415 Q C 1.615 177.644 176.000 0.048 0.000 0.963 415 Q CA 1.348 57.213 55.803 0.104 0.000 0.834 415 Q CB -0.607 28.180 28.738 0.080 0.000 0.906 415 Q HN 0.026 nan 8.270 nan 0.000 0.452 416 D N -0.022 120.386 120.400 0.014 0.000 2.190 416 D HA -0.148 4.492 4.640 -0.000 0.000 0.200 416 D C 1.712 178.015 176.300 0.006 0.000 0.992 416 D CA 0.855 54.853 54.000 -0.004 0.000 0.854 416 D CB -0.080 40.702 40.800 -0.030 0.000 0.936 416 D HN 0.047 nan 8.370 nan 0.000 0.462 417 V N 0.219 120.127 119.914 -0.010 0.000 2.244 417 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 417 V C 2.475 178.690 176.094 0.202 0.000 1.042 417 V CA 1.406 63.718 62.300 0.020 0.000 1.006 417 V CB -0.518 31.265 31.823 -0.066 0.000 0.641 417 V HN 0.122 nan 8.190 nan 0.000 0.446 418 V N -0.442 119.567 119.914 0.159 0.000 2.626 418 V HA -0.243 3.877 4.120 -0.000 0.000 0.252 418 V C 2.095 178.077 176.094 -0.186 0.000 1.067 418 V CA 2.025 64.318 62.300 -0.013 0.000 1.081 418 V CB -0.284 31.523 31.823 -0.027 0.000 0.686 418 V HN 0.673 nan 8.190 nan 0.000 0.468 419 Q N -0.317 119.436 119.800 -0.079 0.000 2.403 419 Q HA 0.160 4.500 4.340 -0.000 0.000 0.203 419 Q C 0.219 176.173 176.000 -0.077 0.000 0.932 419 Q CA -0.066 55.673 55.803 -0.105 0.000 0.945 419 Q CB 0.192 28.896 28.738 -0.057 0.000 1.045 419 Q HN 0.631 nan 8.270 nan 0.000 0.511 420 K N 0.060 120.452 120.400 -0.013 0.000 3.148 420 K HA -0.249 4.071 4.320 -0.000 0.000 0.267 420 K C -0.056 176.603 176.600 0.098 0.000 0.996 420 K CA 0.603 56.926 56.287 0.059 0.000 0.737 420 K CB -1.163 31.249 32.500 -0.146 0.000 1.308 420 K HN 0.224 nan 8.250 nan 0.000 0.470 421 K N 0.328 120.774 120.400 0.077 0.000 2.404 421 K HA 0.047 4.367 4.320 -0.000 0.000 0.194 421 K C 0.150 176.791 176.600 0.070 0.000 1.023 421 K CA 0.275 56.595 56.287 0.054 0.000 1.094 421 K CB 0.087 32.600 32.500 0.022 0.000 0.841 421 K HN 0.128 nan 8.250 nan 0.000 0.523 422 L N 1.033 122.330 121.223 0.123 0.000 2.309 422 L HA 0.306 4.646 4.340 -0.000 0.000 0.282 422 L C -0.167 176.781 176.870 0.131 0.000 1.036 422 L CA -0.993 53.917 54.840 0.118 0.000 0.806 422 L CB 0.328 42.478 42.059 0.153 0.000 1.220 422 L HN -0.137 nan 8.230 nan 0.000 0.429 423 L N 5.057 126.288 121.223 0.012 0.000 2.615 423 L HA 0.247 4.587 4.340 -0.000 0.000 0.271 423 L C -2.088 174.627 176.870 -0.259 0.000 1.183 423 L CA -0.432 54.355 54.840 -0.089 0.000 0.933 423 L CB -0.413 41.579 42.059 -0.111 0.000 1.199 423 L HN 0.451 nan 8.230 nan 0.000 0.487 424 P HA 0.179 nan 4.420 nan 0.000 0.269 424 P C -2.204 174.640 177.300 -0.760 0.000 1.215 424 P CA -1.008 61.538 63.100 -0.923 0.000 0.780 424 P CB -0.046 31.241 31.700 -0.689 0.000 0.898 425 P HA 0.090 nan 4.420 nan 0.000 0.241 425 P C -0.394 176.731 177.300 -0.293 0.000 1.191 425 P CA 0.783 63.547 63.100 -0.559 0.000 0.771 425 P CB 0.204 31.518 31.700 -0.643 0.000 0.929 426 F N 0.142 119.814 119.950 -0.464 0.000 2.604 426 F HA 0.509 5.036 4.527 -0.000 0.000 0.316 426 F C -1.255 174.370 175.800 -0.293 0.000 1.136 426 F CA -1.216 56.589 58.000 -0.325 0.000 0.989 426 F CB 1.869 40.679 39.000 -0.318 0.000 1.258 426 F HN -0.451 nan 8.300 nan 0.000 0.451 427 K N 7.551 127.354 120.400 -0.995 0.000 2.339 427 K HA 0.550 4.870 4.320 -0.000 0.000 0.264 427 K C -2.728 173.233 176.600 -1.065 0.000 0.986 427 K CA -2.138 53.677 56.287 -0.786 0.000 0.866 427 K CB 1.577 33.815 32.500 -0.436 0.000 1.103 427 K HN 0.245 nan 8.250 nan 0.000 0.441 428 P HA -0.107 nan 4.420 nan 0.000 0.255 428 P C -0.962 176.281 177.300 -0.095 0.000 1.173 428 P CA 0.305 63.178 63.100 -0.378 0.000 0.780 428 P CB 0.414 32.011 31.700 -0.172 0.000 0.758 429 Q N 2.807 122.652 119.800 0.075 0.000 3.026 429 Q HA 0.127 4.467 4.340 -0.000 0.000 0.258 429 Q C 0.256 176.365 176.000 0.182 0.000 1.388 429 Q CA -0.168 55.695 55.803 0.101 0.000 1.000 429 Q CB -0.301 28.496 28.738 0.097 0.000 1.634 429 Q HN 0.288 nan 8.270 nan 0.000 0.571 430 V N -1.212 118.798 119.914 0.160 0.000 2.539 430 V HA 0.429 4.549 4.120 -0.000 0.000 0.292 430 V C 1.337 177.461 176.094 0.049 0.000 1.045 430 V CA -0.189 62.181 62.300 0.116 0.000 0.945 430 V CB 1.422 33.334 31.823 0.147 0.000 0.993 430 V HN 0.506 nan 8.190 nan 0.000 0.464 431 T N 0.711 115.280 114.554 0.025 0.000 2.978 431 T HA 0.160 4.510 4.350 -0.000 0.000 0.262 431 T C 0.886 175.586 174.700 0.000 0.000 1.063 431 T CA 0.820 62.926 62.100 0.010 0.000 1.140 431 T CB -0.224 68.646 68.868 0.004 0.000 0.886 431 T HN 1.354 nan 8.240 nan 0.000 0.470 432 S N -0.462 115.233 115.700 -0.008 0.000 2.732 432 S HA 0.491 4.960 4.470 -0.000 0.000 0.293 432 S C 0.514 175.068 174.600 -0.077 0.000 1.159 432 S CA -0.915 57.261 58.200 -0.040 0.000 0.847 432 S CB 1.745 64.918 63.200 -0.046 0.000 1.169 432 S HN 0.058 nan 8.310 nan 0.000 0.501 433 E N 0.049 120.130 120.200 -0.197 0.000 2.150 433 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 433 E C 1.565 177.918 176.600 -0.412 0.000 0.985 433 E CA 0.986 57.144 56.400 -0.403 0.000 0.814 433 E CB -0.139 28.987 29.700 -0.956 0.000 0.752 433 E HN 0.443 nan 8.360 nan 0.000 0.466 434 V N 1.977 121.701 119.914 -0.316 0.000 3.633 434 V HA -0.039 4.081 4.120 -0.000 0.000 0.283 434 V C -0.044 176.014 176.094 -0.061 0.000 1.305 434 V CA 0.126 62.317 62.300 -0.183 0.000 1.153 434 V CB -0.132 31.637 31.823 -0.091 0.000 0.950 434 V HN -0.012 nan 8.190 nan 0.000 0.432 435 D N 1.104 121.497 120.400 -0.012 0.000 2.352 435 D HA 0.082 4.722 4.640 -0.000 0.000 0.245 435 D C 0.857 177.215 176.300 0.097 0.000 1.224 435 D CA 0.210 54.226 54.000 0.027 0.000 0.879 435 D CB 1.176 41.987 40.800 0.020 0.000 1.057 435 D HN 0.411 nan 8.370 nan 0.000 0.491 436 T N 1.065 115.666 114.554 0.079 0.000 3.218 436 T HA 0.153 4.503 4.350 -0.000 0.000 0.241 436 T C 1.295 176.059 174.700 0.108 0.000 0.929 436 T CA -0.716 61.494 62.100 0.183 0.000 0.979 436 T CB -0.283 68.638 68.868 0.087 0.000 1.129 436 T HN 0.485 nan 8.240 nan 0.000 0.559 437 R N -0.224 120.205 120.500 -0.118 0.000 2.235 437 R HA 0.034 4.374 4.340 -0.000 0.000 0.213 437 R C 0.453 176.372 176.300 -0.635 0.000 1.059 437 R CA 0.669 56.555 56.100 -0.356 0.000 0.997 437 R CB -0.694 29.312 30.300 -0.490 0.000 0.884 437 R HN 0.530 nan 8.270 nan 0.000 0.462 438 Y N 0.041 120.177 120.300 -0.272 0.000 2.571 438 Y HA 0.326 4.876 4.550 -0.000 0.000 0.275 438 Y C -0.358 174.740 175.900 -1.338 0.000 1.179 438 Y CA -0.865 56.620 58.100 -1.025 0.000 1.242 438 Y CB 0.355 38.456 38.460 -0.599 0.000 1.126 438 Y HN -0.119 nan 8.280 nan 0.000 0.524 439 F N 0.069 119.769 119.950 -0.417 0.000 2.495 439 F HA 0.302 4.829 4.527 -0.000 0.000 0.327 439 F C 0.123 175.947 175.800 0.041 0.000 1.103 439 F CA -1.857 56.073 58.000 -0.116 0.000 0.949 439 F CB 0.812 39.842 39.000 0.050 0.000 1.142 439 F HN -0.139 nan 8.300 nan 0.000 0.457 440 D N 2.545 123.191 120.400 0.410 0.000 2.525 440 D HA -0.070 4.570 4.640 -0.000 0.000 0.235 440 D C 0.947 177.402 176.300 0.259 0.000 1.137 440 D CA 0.581 54.811 54.000 0.382 0.000 0.868 440 D CB 0.783 41.810 40.800 0.378 0.000 1.180 440 D HN 0.546 nan 8.370 nan 0.000 0.465 441 D N 1.950 122.439 120.400 0.148 0.000 2.182 441 D HA -0.189 4.451 4.640 -0.000 0.000 0.201 441 D C 1.644 177.944 176.300 0.001 0.000 0.986 441 D CA 0.776 54.823 54.000 0.077 0.000 0.847 441 D CB 0.170 40.998 40.800 0.046 0.000 0.942 441 D HN 0.652 nan 8.370 nan 0.000 0.467 442 E N -0.250 119.881 120.200 -0.115 0.000 2.108 442 E HA -0.240 4.110 4.350 -0.000 0.000 0.203 442 E C 1.768 178.159 176.600 -0.348 0.000 1.022 442 E CA 1.416 57.614 56.400 -0.338 0.000 0.823 442 E CB -0.123 29.183 29.700 -0.657 0.000 0.744 442 E HN 0.327 nan 8.360 nan 0.000 0.456 443 F N -0.207 119.803 119.950 0.100 0.000 2.317 443 F HA 0.004 4.531 4.527 -0.000 0.000 0.290 443 F C 2.857 178.701 175.800 0.075 0.000 1.075 443 F CA 0.969 59.026 58.000 0.094 0.000 1.380 443 F CB -0.507 38.570 39.000 0.127 0.000 1.093 443 F HN 0.076 nan 8.300 nan 0.000 0.524 444 T N -1.425 113.281 114.554 0.254 0.000 2.962 444 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 444 T C 1.987 176.742 174.700 0.092 0.000 1.088 444 T CA 0.894 63.083 62.100 0.147 0.000 1.127 444 T CB -0.568 68.379 68.868 0.133 0.000 0.883 444 T HN 0.205 nan 8.240 nan 0.000 0.493 445 A N 1.286 124.150 122.820 0.073 0.000 2.014 445 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 445 A C 1.547 179.159 177.584 0.046 0.000 1.163 445 A CA 0.343 52.407 52.037 0.045 0.000 0.652 445 A CB -0.438 18.575 19.000 0.022 0.000 0.808 445 A HN 0.695 nan 8.150 nan 0.000 0.449 446 Q N 0.237 120.073 119.800 0.062 0.000 2.500 446 Q HA 0.389 4.729 4.340 -0.000 0.000 0.215 446 Q C 0.392 176.429 176.000 0.061 0.000 1.062 446 Q CA 0.132 55.971 55.803 0.060 0.000 0.996 446 Q CB 0.418 29.204 28.738 0.080 0.000 1.239 446 Q HN 0.508 nan 8.270 nan 0.000 0.578 447 S N -0.288 115.445 115.700 0.055 0.000 2.654 447 S HA 0.579 5.049 4.470 -0.000 0.000 0.283 447 S C -0.170 174.463 174.600 0.056 0.000 1.180 447 S CA -0.987 57.243 58.200 0.050 0.000 1.021 447 S CB 0.459 63.683 63.200 0.039 0.000 1.018 447 S HN 0.522 nan 8.310 nan 0.000 0.532 448 I N 0.537 121.140 120.570 0.055 0.000 2.297 448 I HA 0.417 4.587 4.170 -0.000 0.000 0.291 448 I C 0.627 176.761 176.117 0.028 0.000 1.033 448 I CA -0.580 60.752 61.300 0.054 0.000 1.253 448 I CB 0.684 38.733 38.000 0.082 0.000 1.396 448 I HN 0.644 nan 8.210 nan 0.000 0.476 468 E N 2.423 122.631 120.200 0.015 0.000 2.418 468 E HA -0.107 4.243 4.350 -0.000 0.000 0.197 468 E C 1.250 177.833 176.600 -0.029 0.000 1.026 468 E CA 0.524 56.930 56.400 0.010 0.000 0.862 468 E CB 0.123 29.825 29.700 0.002 0.000 0.799 468 E HN 0.642 nan 8.360 nan 0.000 0.518 469 M N 0.447 119.985 119.600 -0.104 0.000 2.082 469 M HA -0.147 4.333 4.480 -0.000 0.000 0.258 469 M C 0.126 176.222 176.300 -0.341 0.000 1.069 469 M CA 1.587 56.721 55.300 -0.276 0.000 1.102 469 M CB 0.074 32.413 32.600 -0.434 0.000 1.336 469 M HN 0.100 nan 8.290 nan 0.000 0.404 470 F N 0.125 120.085 119.950 0.017 0.000 2.883 470 F HA 0.230 4.757 4.527 -0.000 0.000 0.312 470 F C 1.335 177.180 175.800 0.075 0.000 1.246 470 F CA -0.332 57.689 58.000 0.035 0.000 1.238 470 F CB -0.447 38.520 39.000 -0.055 0.000 1.195 470 F HN 0.243 nan 8.300 nan 0.000 0.526 471 E N 0.197 120.513 120.200 0.193 0.000 2.086 471 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 471 E C 0.510 177.206 176.600 0.160 0.000 0.975 471 E CA 0.929 57.415 56.400 0.144 0.000 0.813 471 E CB 0.269 30.017 29.700 0.080 0.000 0.768 471 E HN 0.214 nan 8.360 nan 0.000 0.457 472 D N -0.068 120.432 120.400 0.166 0.000 2.460 472 D HA 0.036 4.676 4.640 -0.000 0.000 0.229 472 D C 0.325 176.721 176.300 0.159 0.000 1.170 472 D CA -0.072 54.010 54.000 0.135 0.000 0.827 472 D CB 0.030 40.883 40.800 0.088 0.000 0.973 472 D HN 0.186 nan 8.370 nan 0.000 0.496 473 F N 1.038 121.042 119.950 0.089 0.000 2.262 473 F HA 0.046 4.573 4.527 -0.000 0.000 0.292 473 F C 0.413 176.228 175.800 0.025 0.000 1.081 473 F CA 0.151 58.177 58.000 0.044 0.000 1.355 473 F CB 0.470 39.476 39.000 0.011 0.000 1.069 473 F HN -0.257 nan 8.300 nan 0.000 0.506 474 D N -0.712 119.848 120.400 0.266 0.000 2.357 474 D HA 0.201 4.841 4.640 -0.000 0.000 0.242 474 D C -1.392 175.040 176.300 0.220 0.000 1.153 474 D CA 0.848 54.990 54.000 0.237 0.000 0.918 474 D CB 0.617 41.541 40.800 0.208 0.000 1.181 474 D HN 0.134 nan 8.370 nan 0.000 0.435 475 Y N 0.015 120.346 120.300 0.052 0.000 2.521 475 Y HA 0.427 4.976 4.550 -0.000 0.000 0.326 475 Y C -1.948 174.008 175.900 0.092 0.000 1.176 475 Y CA -0.844 57.276 58.100 0.033 0.000 1.079 475 Y CB 0.965 39.410 38.460 -0.025 0.000 1.341 475 Y HN 0.340 nan 8.280 nan 0.000 0.456 476 I N 4.550 124.780 120.570 -0.566 0.000 2.533 476 I HA 0.699 4.869 4.170 -0.000 0.000 0.290 476 I C -0.561 174.952 176.117 -1.007 0.000 1.056 476 I CA -1.232 59.761 61.300 -0.511 0.000 1.057 476 I CB 2.103 40.001 38.000 -0.170 0.000 1.240 476 I HN 0.799 nan 8.210 nan 0.000 0.423 477 A N 4.150 126.429 122.820 -0.901 0.000 2.362 477 A HA 0.263 4.583 4.320 -0.000 0.000 0.276 477 A C 1.032 178.284 177.584 -0.554 0.000 1.153 477 A CA -0.508 51.056 52.037 -0.788 0.000 0.813 477 A CB 0.184 18.547 19.000 -1.062 0.000 1.081 477 A HN 0.870 nan 8.150 nan 0.000 0.507 478 D N 2.985 123.231 120.400 -0.256 0.000 2.116 478 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 478 D C 1.117 177.384 176.300 -0.056 0.000 0.998 478 D CA 1.333 55.273 54.000 -0.100 0.000 0.836 478 D CB -0.904 39.909 40.800 0.023 0.000 0.951 478 D HN 0.764 nan 8.370 nan 0.000 0.449 479 W N 0.000 121.295 121.300 -0.009 0.000 2.388 479 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 479 W CA 0.000 57.347 57.345 0.003 0.000 1.226 479 W CB 0.000 29.466 29.460 0.010 0.000 1.126 479 W HN 0.000 nan 8.180 nan 0.000 0.535