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 3ke6_1_B DATA FIRST_RESID 0 DATA SEQUENCE VXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXS VPVVPGADIA AEYLVAAEDT AAGGDWFDAL DATA SEQUENCE ALGDRLVLVV GDVVGHGVEA AAVMSQLRTA LRMQISAGYT VVEALEAVDR DATA SEQUENCE FHKQVPGSKS ATMCVGSLDF TSGEFQYCTA GHPPPLLVTA DASARYVEPT DATA SEQUENCE GAGPLGSGTG FPVRSEVLNI GDAILFYTDG LIERPGRPLE ASTAEFADLA DATA SEQUENCE ASIASGXXXX XXXXXARPID RLCSDTLELL LRSTGYNDDV TLLAMQRRAP DATA SEQUENCE TPPLHITLDA TINAARTVRA QLREWLAEIG ADHSDIADIV HAISEFVENA DATA SEQUENCE VEHGYATDVS KGIVVAAALA GDGNVRASVI DRGQWXXXXX XXXXXXXGLA DATA SEQUENCE MAEALVSEAR IMHGAGGTTA TLTHRLSRPA RFVTDTM 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 0 V HA 0.000 nan 4.120 nan 0.000 0.244 0 V C 0.000 176.200 176.094 0.177 0.000 1.182 0 V CA 0.000 62.326 62.300 0.044 0.000 1.235 0 V CB 0.000 31.773 31.823 -0.083 0.000 1.184 170 V N 2.631 122.646 119.914 0.169 0.000 2.789 170 V HA 0.776 4.892 4.120 -0.007 0.000 0.311 170 V C -2.319 173.817 176.094 0.070 0.000 1.073 170 V CA -1.886 60.495 62.300 0.134 0.000 0.921 170 V CB 2.458 34.322 31.823 0.070 0.000 1.009 170 V HN 0.935 nan 8.190 nan 0.000 0.426 171 P HA 0.449 nan 4.420 nan 0.000 0.279 171 P C -1.392 175.917 177.300 0.015 0.000 1.276 171 P CA -0.338 62.782 63.100 0.035 0.000 0.801 171 P CB 1.517 33.246 31.700 0.048 0.000 1.127 172 V N -0.050 119.863 119.914 -0.002 0.000 2.588 172 V HA 0.528 4.644 4.120 -0.007 0.000 0.304 172 V C -0.023 176.046 176.094 -0.042 0.000 1.042 172 V CA -0.621 61.661 62.300 -0.030 0.000 0.877 172 V CB 2.085 33.880 31.823 -0.047 0.000 0.996 172 V HN 0.334 nan 8.190 nan 0.000 0.425 173 V N 5.659 125.529 119.914 -0.073 0.000 3.048 173 V HA 0.393 4.509 4.120 -0.007 0.000 0.303 173 V C -2.003 173.971 176.094 -0.200 0.000 1.214 173 V CA -1.215 61.012 62.300 -0.122 0.000 0.984 173 V CB 3.255 35.049 31.823 -0.049 0.000 1.054 173 V HN 0.690 nan 8.190 nan 0.000 0.430 174 P HA 0.002 nan 4.420 nan 0.000 0.218 174 P C 1.042 178.193 177.300 -0.249 0.000 1.149 174 P CA 1.383 64.340 63.100 -0.240 0.000 0.817 174 P CB 0.313 31.877 31.700 -0.227 0.000 0.785 175 G N -2.198 106.369 108.800 -0.387 0.000 3.277 175 G HA2 0.509 4.465 3.960 -0.007 0.000 0.243 175 G HA3 0.509 4.465 3.960 -0.007 0.000 0.243 175 G C 0.071 174.941 174.900 -0.050 0.000 1.107 175 G CA 0.455 45.416 45.100 -0.232 0.000 0.771 175 G HN 0.460 nan 8.290 nan 0.000 0.544 176 A N 0.041 122.834 122.820 -0.045 0.000 2.574 176 A HA 0.630 4.946 4.320 -0.007 0.000 0.297 176 A C -2.017 175.553 177.584 -0.024 0.000 1.062 176 A CA -0.630 51.416 52.037 0.015 0.000 0.686 176 A CB 1.709 20.775 19.000 0.110 0.000 1.285 176 A HN -0.019 nan 8.150 nan 0.000 0.403 177 D N 0.733 121.112 120.400 -0.036 0.000 2.185 177 D HA 0.709 5.345 4.640 -0.007 0.000 0.247 177 D C -0.695 175.578 176.300 -0.045 0.000 1.027 177 D CA 0.271 54.244 54.000 -0.045 0.000 0.861 177 D CB 1.682 42.451 40.800 -0.052 0.000 1.202 177 D HN 0.435 nan 8.370 nan 0.000 0.453 178 I N 0.951 121.496 120.570 -0.042 0.000 2.582 178 I HA 0.649 4.815 4.170 -0.007 0.000 0.292 178 I C -0.565 175.517 176.117 -0.059 0.000 1.066 178 I CA -0.747 60.522 61.300 -0.051 0.000 1.053 178 I CB 2.126 40.109 38.000 -0.027 0.000 1.241 178 I HN 0.331 nan 8.210 nan 0.000 0.421 179 A N 4.277 127.047 122.820 -0.083 0.000 2.539 179 A HA 1.000 5.316 4.320 -0.007 0.000 0.296 179 A C -1.464 176.024 177.584 -0.160 0.000 1.073 179 A CA -0.614 51.368 52.037 -0.092 0.000 0.700 179 A CB 2.000 20.963 19.000 -0.061 0.000 1.296 179 A HN 0.892 nan 8.150 nan 0.000 0.405 180 A N 1.204 123.903 122.820 -0.202 0.000 2.459 180 A HA 0.740 5.056 4.320 -0.007 0.000 0.296 180 A C -1.019 176.469 177.584 -0.161 0.000 1.039 180 A CA -0.403 51.416 52.037 -0.364 0.000 0.698 180 A CB 1.198 19.576 19.000 -1.036 0.000 1.261 180 A HN 0.721 nan 8.150 nan 0.000 0.405 181 E N 0.763 120.925 120.200 -0.064 0.000 2.266 181 E HA 0.613 4.959 4.350 -0.007 0.000 0.268 181 E C -1.739 174.986 176.600 0.208 0.000 0.879 181 E CA -0.516 55.923 56.400 0.065 0.000 0.762 181 E CB 2.576 32.277 29.700 0.002 0.000 1.199 181 E HN 0.704 nan 8.360 nan 0.000 0.422 182 Y N -0.406 119.950 120.300 0.093 0.000 2.625 182 Y HA 0.718 5.264 4.550 -0.007 0.000 0.338 182 Y C -1.910 174.072 175.900 0.137 0.000 1.123 182 Y CA -1.319 56.864 58.100 0.139 0.000 1.046 182 Y CB 0.761 39.377 38.460 0.261 0.000 1.299 182 Y HN 0.289 nan 8.280 nan 0.000 0.464 183 L N 1.885 123.151 121.223 0.072 0.000 2.371 183 L HA 0.811 5.147 4.340 -0.007 0.000 0.262 183 L C -0.888 176.068 176.870 0.142 0.000 1.006 183 L CA -1.071 53.705 54.840 -0.108 0.000 0.818 183 L CB 2.269 43.969 42.059 -0.598 0.000 1.354 183 L HN 0.652 nan 8.230 nan 0.000 0.415 184 V N 0.672 120.733 119.914 0.244 0.000 2.628 184 V HA 0.669 4.785 4.120 -0.007 0.000 0.306 184 V C 0.622 176.902 176.094 0.310 0.000 1.045 184 V CA -0.083 62.406 62.300 0.315 0.000 0.905 184 V CB 1.504 33.574 31.823 0.412 0.000 0.997 184 V HN 0.925 nan 8.190 nan 0.000 0.436 185 A N 3.287 126.269 122.820 0.270 0.000 1.911 185 A HA 0.529 4.845 4.320 -0.007 0.000 0.212 185 A C 1.376 179.053 177.584 0.156 0.000 1.189 185 A CA 0.895 53.091 52.037 0.265 0.000 0.639 185 A CB -0.189 18.929 19.000 0.196 0.000 0.839 185 A HN 1.110 nan 8.150 nan 0.000 0.449 186 A N 1.008 123.899 122.820 0.117 0.000 2.450 186 A HA 0.475 4.791 4.320 -0.007 0.000 0.255 186 A C -0.214 177.436 177.584 0.110 0.000 1.096 186 A CA -0.223 51.859 52.037 0.075 0.000 0.778 186 A CB 0.102 19.131 19.000 0.048 0.000 1.031 186 A HN 0.327 nan 8.150 nan 0.000 0.494 187 E N 1.484 121.733 120.200 0.082 0.000 2.231 187 E HA 0.233 4.579 4.350 -0.007 0.000 0.277 187 E C -0.662 175.991 176.600 0.088 0.000 0.999 187 E CA -0.088 56.367 56.400 0.092 0.000 0.827 187 E CB 0.808 30.542 29.700 0.057 0.000 1.101 187 E HN 0.681 nan 8.360 nan 0.000 0.393 188 D N 1.834 122.301 120.400 0.111 0.000 2.990 188 D HA -0.113 4.523 4.640 -0.007 0.000 0.245 188 D C -0.908 175.456 176.300 0.107 0.000 1.120 188 D CA 0.911 54.976 54.000 0.108 0.000 0.838 188 D CB -0.835 40.008 40.800 0.071 0.000 1.000 188 D HN 0.342 nan 8.370 nan 0.000 0.420 189 T N -1.176 113.466 114.554 0.145 0.000 2.942 189 T HA 0.535 4.881 4.350 -0.007 0.000 0.327 189 T C 0.980 175.736 174.700 0.093 0.000 1.360 189 T CA -0.122 62.040 62.100 0.103 0.000 1.055 189 T CB 1.984 70.905 68.868 0.089 0.000 1.261 189 T HN 0.068 nan 8.240 nan 0.000 0.485 190 A N 1.061 123.878 122.820 -0.006 0.000 1.935 190 A HA 0.694 5.010 4.320 -0.007 0.000 0.214 190 A C 1.122 178.626 177.584 -0.134 0.000 1.178 190 A CA 1.093 53.030 52.037 -0.166 0.000 0.640 190 A CB -0.227 18.698 19.000 -0.124 0.000 0.825 190 A HN 1.160 nan 8.150 nan 0.000 0.447 191 A N -2.242 120.566 122.820 -0.021 0.000 2.515 191 A HA 0.713 5.029 4.320 -0.007 0.000 0.296 191 A C 0.226 177.852 177.584 0.069 0.000 1.094 191 A CA -0.030 52.021 52.037 0.022 0.000 0.718 191 A CB 0.940 19.922 19.000 -0.030 0.000 1.307 191 A HN 0.943 nan 8.150 nan 0.000 0.408 192 G N -0.493 108.369 108.800 0.103 0.000 3.291 192 G HA2 0.472 4.428 3.960 -0.007 0.000 0.173 192 G HA3 0.472 4.428 3.960 -0.007 0.000 0.173 192 G C 0.776 175.747 174.900 0.119 0.000 1.099 192 G CA 0.440 45.605 45.100 0.109 0.000 0.794 192 G HN 1.441 nan 8.290 nan 0.000 0.651 193 G N -0.308 108.579 108.800 0.144 0.000 2.650 193 G HA2 0.280 4.236 3.960 -0.007 0.000 0.214 193 G HA3 0.280 4.236 3.960 -0.007 0.000 0.214 193 G C 0.161 175.212 174.900 0.250 0.000 1.136 193 G CA 1.147 46.351 45.100 0.172 0.000 0.789 193 G HN 0.695 nan 8.290 nan 0.000 0.536 194 D N -1.286 119.261 120.400 0.245 0.000 2.374 194 D HA 0.586 5.222 4.640 -0.007 0.000 0.239 194 D C -0.513 175.982 176.300 0.325 0.000 0.991 194 D CA -1.257 52.921 54.000 0.295 0.000 0.960 194 D CB 0.950 41.863 40.800 0.188 0.000 1.284 194 D HN 0.369 nan 8.370 nan 0.000 0.512 195 W N -0.054 121.242 121.300 -0.006 0.000 3.213 195 W HA 0.655 5.311 4.660 -0.008 0.000 0.318 195 W C -2.079 174.431 176.519 -0.016 0.000 1.248 195 W CA -1.493 55.772 57.345 -0.132 0.000 1.187 195 W CB 0.728 30.072 29.460 -0.193 0.000 1.403 195 W HN 0.419 nan 8.180 nan 0.000 0.556 196 F N 0.968 120.881 119.950 -0.063 0.000 2.618 196 F HA 0.877 5.400 4.527 -0.008 0.000 0.332 196 F C -1.009 174.829 175.800 0.063 0.000 1.061 196 F CA -1.123 56.802 58.000 -0.126 0.000 0.974 196 F CB 1.975 40.947 39.000 -0.046 0.000 1.310 196 F HN 0.364 nan 8.300 nan 0.000 0.491 197 D N -0.127 120.424 120.400 0.252 0.000 2.706 197 D HA 0.608 5.243 4.640 -0.007 0.000 0.225 197 D C -1.838 174.598 176.300 0.226 0.000 1.241 197 D CA -0.360 53.760 54.000 0.200 0.000 0.784 197 D CB 2.350 43.265 40.800 0.191 0.000 1.521 197 D HN 1.033 nan 8.370 nan 0.000 0.461 198 A N 2.856 125.788 122.820 0.187 0.000 2.499 198 A HA 0.608 4.924 4.320 -0.007 0.000 0.280 198 A C -1.434 176.208 177.584 0.096 0.000 1.135 198 A CA -0.522 51.592 52.037 0.128 0.000 0.744 198 A CB 0.360 19.439 19.000 0.132 0.000 1.213 198 A HN 0.398 nan 8.150 nan 0.000 0.434 199 L N 2.382 123.649 121.223 0.073 0.000 2.287 199 L HA 0.673 5.008 4.340 -0.007 0.000 0.287 199 L C 0.592 177.501 176.870 0.065 0.000 1.022 199 L CA -0.587 54.288 54.840 0.059 0.000 0.814 199 L CB 1.963 44.048 42.059 0.043 0.000 1.217 199 L HN 0.760 nan 8.230 nan 0.000 0.420 200 A N 5.456 128.326 122.820 0.082 0.000 2.279 200 A HA 0.614 4.930 4.320 -0.007 0.000 0.306 200 A C 0.178 177.825 177.584 0.104 0.000 1.300 200 A CA -0.222 51.893 52.037 0.130 0.000 0.925 200 A CB -0.007 19.067 19.000 0.123 0.000 1.152 200 A HN 0.835 nan 8.150 nan 0.000 0.544 201 L N 3.209 124.492 121.223 0.101 0.000 3.288 201 L HA 0.391 4.726 4.340 -0.007 0.000 0.293 201 L C 1.398 178.316 176.870 0.080 0.000 1.294 201 L CA 0.411 55.285 54.840 0.056 0.000 1.006 201 L CB 0.001 42.062 42.059 0.003 0.000 1.407 201 L HN 1.094 nan 8.230 nan 0.000 0.592 202 G N 1.666 110.570 108.800 0.173 0.000 5.219 202 G HA2 -0.367 3.589 3.960 -0.007 0.000 0.267 202 G HA3 -0.367 3.589 3.960 -0.007 0.000 0.267 202 G C 0.663 175.748 174.900 0.308 0.000 1.495 202 G CA 0.411 45.622 45.100 0.185 0.000 0.988 202 G HN 0.499 nan 8.290 nan 0.000 0.707 203 D N 1.740 122.232 120.400 0.155 0.000 2.369 203 D HA 0.216 4.852 4.640 -0.007 0.000 0.211 203 D C 1.089 177.248 176.300 -0.235 0.000 1.077 203 D CA 0.924 55.001 54.000 0.127 0.000 0.842 203 D CB 0.096 40.922 40.800 0.044 0.000 0.947 203 D HN 1.002 nan 8.370 nan 0.000 0.509 204 R N -1.258 118.980 120.500 -0.437 0.000 2.734 204 R HA 0.636 4.972 4.340 -0.007 0.000 0.271 204 R C -1.850 174.080 176.300 -0.615 0.000 1.021 204 R CA -1.162 54.465 56.100 -0.790 0.000 0.893 204 R CB 1.058 31.139 30.300 -0.364 0.000 1.244 204 R HN -0.022 nan 8.270 nan 0.000 0.464 205 L N 1.527 122.421 121.223 -0.547 0.000 2.342 205 L HA 0.485 4.821 4.340 -0.007 0.000 0.276 205 L C -1.432 175.397 176.870 -0.069 0.000 0.997 205 L CA -0.681 54.078 54.840 -0.136 0.000 0.838 205 L CB 2.094 44.184 42.059 0.050 0.000 1.224 205 L HN 0.571 nan 8.230 nan 0.000 0.416 206 V N 6.439 126.335 119.914 -0.029 0.000 2.407 206 V HA 0.451 4.567 4.120 -0.007 0.000 0.278 206 V C 0.110 176.218 176.094 0.024 0.000 1.037 206 V CA -0.435 61.857 62.300 -0.013 0.000 0.900 206 V CB 1.466 33.282 31.823 -0.013 0.000 0.983 206 V HN 0.603 nan 8.190 nan 0.000 0.459 207 L N 5.532 126.770 121.223 0.024 0.000 2.329 207 L HA 0.769 5.105 4.340 -0.007 0.000 0.279 207 L C -0.787 176.166 176.870 0.138 0.000 1.014 207 L CA -0.723 54.107 54.840 -0.015 0.000 0.814 207 L CB 2.069 43.941 42.059 -0.311 0.000 1.257 207 L HN 0.342 nan 8.230 nan 0.000 0.424 208 V N 3.342 123.347 119.914 0.152 0.000 2.686 208 V HA 0.515 4.630 4.120 -0.007 0.000 0.306 208 V C -0.567 175.539 176.094 0.020 0.000 1.065 208 V CA -0.631 61.746 62.300 0.128 0.000 0.894 208 V CB 2.634 34.489 31.823 0.053 0.000 1.004 208 V HN 0.428 nan 8.190 nan 0.000 0.424 209 V N 2.723 122.564 119.914 -0.123 0.000 2.735 209 V HA 0.958 5.073 4.120 -0.007 0.000 0.310 209 V C 0.393 175.979 176.094 -0.847 0.000 1.061 209 V CA 0.082 62.146 62.300 -0.393 0.000 0.913 209 V CB 2.213 33.971 31.823 -0.108 0.000 1.005 209 V HN 1.048 nan 8.190 nan 0.000 0.428 210 G N 1.971 110.073 108.800 -1.163 0.000 2.605 210 G HA2 0.677 4.633 3.960 -0.007 0.000 0.296 210 G HA3 0.677 4.633 3.960 -0.007 0.000 0.296 210 G C -1.970 172.757 174.900 -0.288 0.000 1.304 210 G CA -0.309 44.094 45.100 -1.161 0.000 0.941 210 G HN 0.542 nan 8.290 nan 0.000 0.475 211 D N -0.193 120.245 120.400 0.063 0.000 2.890 211 D HA 0.422 5.058 4.640 -0.007 0.000 0.233 211 D C -1.026 175.419 176.300 0.242 0.000 1.306 211 D CA -0.199 53.921 54.000 0.199 0.000 0.929 211 D CB 2.245 43.149 40.800 0.174 0.000 1.512 211 D HN 0.194 nan 8.370 nan 0.000 0.568 212 V N 2.965 123.033 119.914 0.256 0.000 2.612 212 V HA 0.339 4.455 4.120 -0.007 0.000 0.301 212 V C 0.435 176.623 176.094 0.156 0.000 1.046 212 V CA -0.900 61.527 62.300 0.211 0.000 0.946 212 V CB 2.004 33.947 31.823 0.201 0.000 1.003 212 V HN 0.472 nan 8.190 nan 0.000 0.459 213 V N 6.630 126.619 119.914 0.126 0.000 2.485 213 V HA 0.525 4.641 4.120 -0.007 0.000 0.287 213 V C 0.917 177.083 176.094 0.119 0.000 1.022 213 V CA 1.024 63.387 62.300 0.106 0.000 1.067 213 V CB -0.124 31.743 31.823 0.075 0.000 0.967 213 V HN 1.507 nan 8.190 nan 0.000 0.479 214 G N 5.349 114.242 108.800 0.155 0.000 2.774 214 G HA2 -0.306 3.650 3.960 -0.007 0.000 0.279 214 G HA3 -0.306 3.650 3.960 -0.007 0.000 0.279 214 G C -0.060 174.963 174.900 0.205 0.000 1.372 214 G CA 0.815 46.061 45.100 0.243 0.000 0.913 214 G HN 1.807 nan 8.290 nan 0.000 0.562 215 H N 0.135 119.238 119.070 0.054 0.000 2.907 215 H HA 0.512 5.063 4.556 -0.008 0.000 0.233 215 H C 0.922 176.282 175.328 0.053 0.000 1.285 215 H CA 1.660 57.740 56.048 0.053 0.000 0.981 215 H CB -0.181 29.606 29.762 0.041 0.000 2.255 215 H HN 1.804 nan 8.280 nan 0.000 0.601 216 G N -0.745 108.073 108.800 0.030 0.000 2.061 216 G HA2 -0.201 3.755 3.960 -0.007 0.000 0.059 216 G HA3 -0.201 3.755 3.960 -0.007 0.000 0.059 216 G C 0.141 175.064 174.900 0.039 0.000 1.013 216 G CA -0.047 45.057 45.100 0.007 0.000 1.185 216 G HN 0.190 nan 8.290 nan 0.000 0.410 217 V N 1.112 121.047 119.914 0.034 0.000 2.725 217 V HA 0.180 4.296 4.120 -0.007 0.000 0.247 217 V C 2.504 178.615 176.094 0.028 0.000 1.058 217 V CA 2.938 65.256 62.300 0.030 0.000 1.080 217 V CB 0.439 32.277 31.823 0.024 0.000 0.713 217 V HN 0.672 nan 8.190 nan 0.000 0.465 218 E N 1.152 121.375 120.200 0.038 0.000 2.110 218 E HA -0.129 4.217 4.350 -0.007 0.000 0.193 218 E C 2.067 178.690 176.600 0.037 0.000 0.988 218 E CA 1.861 58.282 56.400 0.035 0.000 0.804 218 E CB -0.550 29.177 29.700 0.046 0.000 0.745 218 E HN 0.622 nan 8.360 nan 0.000 0.458 219 A N 0.793 123.648 122.820 0.058 0.000 1.908 219 A HA -0.092 4.223 4.320 -0.007 0.000 0.218 219 A C 2.456 180.067 177.584 0.045 0.000 1.181 219 A CA 2.237 54.314 52.037 0.068 0.000 0.627 219 A CB -1.048 18.010 19.000 0.096 0.000 0.818 219 A HN 0.389 nan 8.150 nan 0.000 0.445 220 A N -0.209 122.630 122.820 0.032 0.000 1.933 220 A HA 0.168 4.483 4.320 -0.007 0.000 0.218 220 A C 2.493 180.059 177.584 -0.031 0.000 1.175 220 A CA 2.022 54.062 52.037 0.004 0.000 0.628 220 A CB -0.981 18.022 19.000 0.005 0.000 0.814 220 A HN 1.082 nan 8.150 nan 0.000 0.444 221 A N -0.483 122.325 122.820 -0.020 0.000 1.933 221 A HA -0.009 4.307 4.320 -0.007 0.000 0.218 221 A C 2.232 179.787 177.584 -0.048 0.000 1.175 221 A CA 1.882 53.899 52.037 -0.033 0.000 0.628 221 A CB -0.874 18.116 19.000 -0.018 0.000 0.814 221 A HN 0.390 nan 8.150 nan 0.000 0.444 222 V N 0.041 119.935 119.914 -0.034 0.000 2.270 222 V HA -0.290 3.826 4.120 -0.007 0.000 0.245 222 V C 2.591 178.623 176.094 -0.104 0.000 1.043 222 V CA 1.992 64.268 62.300 -0.041 0.000 1.014 222 V CB -0.781 31.043 31.823 0.001 0.000 0.645 222 V HN 0.698 nan 8.190 nan 0.000 0.447 223 M N 0.376 119.909 119.600 -0.111 0.000 2.089 223 M HA -0.247 4.229 4.480 -0.007 0.000 0.257 223 M C 2.361 178.374 176.300 -0.477 0.000 1.071 223 M CA 2.700 57.836 55.300 -0.274 0.000 1.096 223 M CB -0.882 31.665 32.600 -0.087 0.000 1.330 223 M HN 0.458 nan 8.290 nan 0.000 0.403 224 S N -0.113 115.416 115.700 -0.286 0.000 2.359 224 S HA -0.219 4.247 4.470 -0.007 0.000 0.224 224 S C 1.762 176.213 174.600 -0.247 0.000 1.035 224 S CA 1.887 59.925 58.200 -0.270 0.000 1.018 224 S CB -0.184 62.923 63.200 -0.155 0.000 0.876 224 S HN 0.712 nan 8.310 nan 0.000 0.448 225 Q N 0.152 119.859 119.800 -0.154 0.000 2.167 225 Q HA 0.070 4.406 4.340 -0.007 0.000 0.202 225 Q C 2.179 178.143 176.000 -0.059 0.000 0.970 225 Q CA 1.303 57.078 55.803 -0.046 0.000 0.855 225 Q CB -0.159 28.616 28.738 0.061 0.000 0.911 225 Q HN 0.514 nan 8.270 nan 0.000 0.438 226 L N -0.312 120.787 121.223 -0.206 0.000 2.131 226 L HA -0.068 4.268 4.340 -0.007 0.000 0.206 226 L C 2.529 179.150 176.870 -0.415 0.000 1.087 226 L CA 0.798 55.500 54.840 -0.229 0.000 0.767 226 L CB -0.328 41.574 42.059 -0.261 0.000 0.917 226 L HN 0.168 nan 8.230 nan 0.000 0.441 227 R N 0.016 120.012 120.500 -0.840 0.000 2.091 227 R HA -0.160 4.176 4.340 -0.007 0.000 0.238 227 R C 2.134 178.259 176.300 -0.290 0.000 1.136 227 R CA 2.080 57.721 56.100 -0.766 0.000 0.959 227 R CB -0.220 29.452 30.300 -1.046 0.000 0.856 227 R HN 0.216 nan 8.270 nan 0.000 0.437 228 T N 0.611 115.013 114.554 -0.253 0.000 2.737 228 T HA -0.030 4.316 4.350 -0.007 0.000 0.265 228 T C 1.835 176.443 174.700 -0.152 0.000 1.038 228 T CA 1.162 63.163 62.100 -0.165 0.000 1.144 228 T CB -0.341 68.438 68.868 -0.149 0.000 0.866 228 T HN 0.463 nan 8.240 nan 0.000 0.434 229 A N 1.748 124.474 122.820 -0.158 0.000 1.849 229 A HA -0.109 4.207 4.320 -0.007 0.000 0.217 229 A C 2.269 179.789 177.584 -0.108 0.000 1.202 229 A CA 1.766 53.691 52.037 -0.186 0.000 0.629 229 A CB -1.121 17.844 19.000 -0.059 0.000 0.834 229 A HN 0.396 nan 8.150 nan 0.000 0.447 230 L N 0.794 121.997 121.223 -0.033 0.000 2.012 230 L HA -0.205 4.131 4.340 -0.007 0.000 0.210 230 L C 2.739 179.617 176.870 0.012 0.000 1.073 230 L CA 2.713 57.562 54.840 0.016 0.000 0.748 230 L CB -0.595 41.541 42.059 0.129 0.000 0.891 230 L HN 0.607 nan 8.230 nan 0.000 0.431 231 R N -0.703 119.804 120.500 0.011 0.000 2.115 231 R HA -0.181 4.154 4.340 -0.007 0.000 0.230 231 R C 2.213 178.506 176.300 -0.011 0.000 1.111 231 R CA 1.770 57.877 56.100 0.013 0.000 0.976 231 R CB -0.970 29.337 30.300 0.012 0.000 0.870 231 R HN 0.461 nan 8.270 nan 0.000 0.445 232 M N 0.781 120.354 119.600 -0.045 0.000 2.108 232 M HA -0.160 4.316 4.480 -0.007 0.000 0.261 232 M C 1.821 178.119 176.300 -0.002 0.000 1.066 232 M CA 1.709 56.983 55.300 -0.044 0.000 1.107 232 M CB 0.078 32.623 32.600 -0.092 0.000 1.356 232 M HN 0.163 nan 8.290 nan 0.000 0.406 233 Q N 0.056 119.851 119.800 -0.008 0.000 2.137 233 Q HA -0.012 4.324 4.340 -0.007 0.000 0.198 233 Q C 2.028 178.111 176.000 0.139 0.000 0.960 233 Q CA 1.326 57.166 55.803 0.061 0.000 0.847 233 Q CB -0.282 28.416 28.738 -0.067 0.000 0.915 233 Q HN 0.620 nan 8.270 nan 0.000 0.448 234 I N 1.284 121.891 120.570 0.061 0.000 2.179 234 I HA -0.285 3.881 4.170 -0.007 0.000 0.242 234 I C 2.441 178.581 176.117 0.038 0.000 1.088 234 I CA 1.547 62.877 61.300 0.050 0.000 1.357 234 I CB -0.308 37.708 38.000 0.026 0.000 1.051 234 I HN 0.184 nan 8.210 nan 0.000 0.409 235 S N 1.180 116.897 115.700 0.029 0.000 2.419 235 S HA -0.123 4.343 4.470 -0.007 0.000 0.233 235 S C 2.094 176.697 174.600 0.005 0.000 1.016 235 S CA 0.849 59.057 58.200 0.012 0.000 0.974 235 S CB -0.513 62.691 63.200 0.007 0.000 0.786 235 S HN 0.400 nan 8.310 nan 0.000 0.492 236 A N 1.048 123.891 122.820 0.038 0.000 2.172 236 A HA 0.460 4.776 4.320 -0.007 0.000 0.216 236 A C 1.812 179.314 177.584 -0.137 0.000 1.154 236 A CA 0.877 52.922 52.037 0.013 0.000 0.701 236 A CB -1.189 17.913 19.000 0.170 0.000 0.789 236 A HN 1.649 nan 8.150 nan 0.000 0.465 237 G N -3.047 105.685 108.800 -0.113 0.000 2.138 237 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.193 237 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.193 237 G C -0.132 174.615 174.900 -0.255 0.000 0.998 237 G CA -0.011 44.976 45.100 -0.188 0.000 0.668 237 G HN 0.369 nan 8.290 nan 0.000 0.516 238 Y N 1.614 121.889 120.300 -0.042 0.000 2.316 238 Y HA 0.537 5.083 4.550 -0.007 0.000 0.324 238 Y C 1.728 177.595 175.900 -0.054 0.000 1.267 238 Y CA 0.321 58.394 58.100 -0.045 0.000 1.311 238 Y CB 0.763 39.194 38.460 -0.049 0.000 1.267 238 Y HN 0.301 nan 8.280 nan 0.000 0.516 239 T N -2.403 112.216 114.554 0.108 0.000 2.667 239 T HA 0.070 4.416 4.350 -0.007 0.000 0.305 239 T C 1.203 175.904 174.700 0.001 0.000 1.022 239 T CA -0.550 61.565 62.100 0.024 0.000 0.995 239 T CB 0.316 69.190 68.868 0.009 0.000 1.026 239 T HN 0.407 nan 8.240 nan 0.000 0.527 240 V N 0.879 120.770 119.914 -0.039 0.000 2.515 240 V HA -0.115 4.000 4.120 -0.007 0.000 0.250 240 V C 2.723 178.755 176.094 -0.103 0.000 1.058 240 V CA 1.398 63.657 62.300 -0.068 0.000 1.064 240 V CB -0.783 30.994 31.823 -0.077 0.000 0.675 240 V HN 0.788 nan 8.190 nan 0.000 0.461 241 V N -0.228 119.645 119.914 -0.068 0.000 2.283 241 V HA -0.205 3.911 4.120 -0.007 0.000 0.243 241 V C 2.350 178.384 176.094 -0.100 0.000 1.039 241 V CA 1.839 64.098 62.300 -0.068 0.000 1.016 241 V CB -0.626 31.203 31.823 0.011 0.000 0.650 241 V HN 0.551 nan 8.190 nan 0.000 0.449 242 E N 0.499 120.675 120.200 -0.041 0.000 2.130 242 E HA -0.236 4.110 4.350 -0.007 0.000 0.196 242 E C 2.281 178.799 176.600 -0.136 0.000 0.998 242 E CA 1.455 57.826 56.400 -0.048 0.000 0.806 242 E CB -0.368 29.377 29.700 0.075 0.000 0.738 242 E HN 0.604 nan 8.360 nan 0.000 0.459 243 A N 1.085 123.840 122.820 -0.108 0.000 1.845 243 A HA -0.180 4.136 4.320 -0.007 0.000 0.215 243 A C 2.201 179.649 177.584 -0.225 0.000 1.195 243 A CA 1.228 53.184 52.037 -0.135 0.000 0.616 243 A CB -0.807 18.148 19.000 -0.075 0.000 0.832 243 A HN 0.159 nan 8.150 nan 0.000 0.443 244 L N -0.596 120.407 121.223 -0.367 0.000 2.127 244 L HA -0.223 4.113 4.340 -0.007 0.000 0.211 244 L C 2.611 179.082 176.870 -0.664 0.000 1.089 244 L CA 1.522 55.950 54.840 -0.687 0.000 0.757 244 L CB -0.529 40.751 42.059 -1.298 0.000 0.899 244 L HN 0.514 nan 8.230 nan 0.000 0.434 245 E N -0.029 119.933 120.200 -0.396 0.000 2.047 245 E HA -0.213 4.133 4.350 -0.007 0.000 0.191 245 E C 2.352 178.927 176.600 -0.041 0.000 0.987 245 E CA 1.130 57.481 56.400 -0.082 0.000 0.799 245 E CB -0.173 29.523 29.700 -0.007 0.000 0.752 245 E HN 0.509 nan 8.360 nan 0.000 0.449 246 A N 1.033 123.789 122.820 -0.108 0.000 1.908 246 A HA -0.162 4.154 4.320 -0.007 0.000 0.218 246 A C 2.514 180.106 177.584 0.013 0.000 1.181 246 A CA 1.285 53.272 52.037 -0.082 0.000 0.627 246 A CB -0.753 18.131 19.000 -0.194 0.000 0.818 246 A HN 0.120 nan 8.150 nan 0.000 0.445 247 V N 0.379 120.285 119.914 -0.012 0.000 2.343 247 V HA -0.269 3.847 4.120 -0.007 0.000 0.247 247 V C 2.305 178.503 176.094 0.173 0.000 1.051 247 V CA 2.534 64.889 62.300 0.092 0.000 1.036 247 V CB -0.799 31.035 31.823 0.019 0.000 0.654 247 V HN 0.721 nan 8.190 nan 0.000 0.451 248 D N -0.635 119.833 120.400 0.112 0.000 2.178 248 D HA -0.164 4.472 4.640 -0.007 0.000 0.202 248 D C 2.357 178.834 176.300 0.295 0.000 0.974 248 D CA 1.001 55.104 54.000 0.172 0.000 0.841 248 D CB -0.045 40.917 40.800 0.270 0.000 0.953 248 D HN 0.235 nan 8.370 nan 0.000 0.478 249 R N -1.118 119.507 120.500 0.208 0.000 2.066 249 R HA -0.092 4.244 4.340 -0.007 0.000 0.232 249 R C 2.000 178.419 176.300 0.198 0.000 1.131 249 R CA 1.002 57.208 56.100 0.176 0.000 0.955 249 R CB -0.399 29.965 30.300 0.108 0.000 0.851 249 R HN 0.224 nan 8.270 nan 0.000 0.432 250 F N 1.772 121.757 119.950 0.058 0.000 2.216 250 F HA -0.213 4.310 4.527 -0.007 0.000 0.300 250 F C 2.352 178.178 175.800 0.043 0.000 1.085 250 F CA 1.780 59.796 58.000 0.027 0.000 1.326 250 F CB -0.481 38.521 39.000 0.003 0.000 1.027 250 F HN 0.214 nan 8.300 nan 0.000 0.497 251 H N 0.163 119.178 119.070 -0.091 0.000 2.489 251 H HA -0.088 4.464 4.556 -0.007 0.000 0.293 251 H C 1.587 176.796 175.328 -0.199 0.000 1.066 251 H CA 1.227 57.168 56.048 -0.177 0.000 1.305 251 H CB -0.347 29.405 29.762 -0.015 0.000 1.386 251 H HN 0.188 nan 8.280 nan 0.000 0.551 252 K N 0.786 120.809 120.400 -0.629 0.000 2.281 252 K HA -0.164 4.152 4.320 -0.007 0.000 0.203 252 K C 1.619 177.983 176.600 -0.393 0.000 1.046 252 K CA 1.562 57.520 56.287 -0.549 0.000 0.938 252 K CB -0.040 32.312 32.500 -0.248 0.000 0.737 252 K HN 0.785 nan 8.250 nan 0.000 0.458 253 Q N -0.645 118.896 119.800 -0.431 0.000 2.155 253 Q HA 0.198 4.534 4.340 -0.007 0.000 0.220 253 Q C -0.432 175.312 176.000 -0.425 0.000 0.819 253 Q CA -0.182 55.402 55.803 -0.365 0.000 1.032 253 Q CB 0.801 29.371 28.738 -0.279 0.000 1.151 253 Q HN -0.198 nan 8.270 nan 0.000 0.487 254 V N 3.120 122.754 119.914 -0.467 0.000 2.304 254 V HA 0.404 4.519 4.120 -0.007 0.000 0.278 254 V C -2.415 173.564 176.094 -0.192 0.000 1.018 254 V CA -2.034 60.074 62.300 -0.320 0.000 0.814 254 V CB 1.162 32.787 31.823 -0.329 0.000 1.021 254 V HN 0.185 nan 8.190 nan 0.000 0.440 255 P HA 0.420 nan 4.420 nan 0.000 0.276 255 P C 0.897 178.170 177.300 -0.046 0.000 1.230 255 P CA 0.568 63.614 63.100 -0.090 0.000 0.776 255 P CB 1.126 32.782 31.700 -0.073 0.000 0.888 256 G N 1.877 110.668 108.800 -0.016 0.000 2.179 256 G HA2 -0.254 3.701 3.960 -0.007 0.000 0.220 256 G HA3 -0.254 3.701 3.960 -0.007 0.000 0.220 256 G C 0.928 175.857 174.900 0.049 0.000 0.990 256 G CA 0.409 45.519 45.100 0.017 0.000 0.646 256 G HN 0.584 nan 8.290 nan 0.000 0.517 257 S N -0.377 115.364 115.700 0.069 0.000 2.456 257 S HA 0.276 4.742 4.470 -0.007 0.000 0.224 257 S C 1.071 175.777 174.600 0.178 0.000 1.035 257 S CA 1.015 59.295 58.200 0.132 0.000 0.940 257 S CB 0.135 63.434 63.200 0.166 0.000 0.799 257 S HN 0.634 nan 8.310 nan 0.000 0.508 258 K N 2.164 122.687 120.400 0.206 0.000 2.476 258 K HA -0.079 4.237 4.320 -0.007 0.000 0.273 258 K C -0.280 176.377 176.600 0.095 0.000 1.056 258 K CA 1.147 57.538 56.287 0.173 0.000 1.150 258 K CB -0.356 32.220 32.500 0.127 0.000 0.838 258 K HN 0.417 nan 8.250 nan 0.000 0.486 259 S N 0.007 115.742 115.700 0.058 0.000 3.171 259 S HA -0.208 4.257 4.470 -0.007 0.000 0.279 259 S C 0.038 174.684 174.600 0.075 0.000 1.294 259 S CA 0.757 58.986 58.200 0.048 0.000 1.077 259 S CB -1.665 61.562 63.200 0.043 0.000 1.298 259 S HN 0.953 nan 8.310 nan 0.000 0.666 260 A N 2.119 125.000 122.820 0.101 0.000 2.520 260 A HA 0.473 4.789 4.320 -0.007 0.000 0.245 260 A C 0.857 178.528 177.584 0.145 0.000 1.072 260 A CA 0.912 53.040 52.037 0.152 0.000 0.761 260 A CB 0.064 19.185 19.000 0.201 0.000 1.004 260 A HN 0.977 nan 8.150 nan 0.000 0.499 261 T N 0.972 115.624 114.554 0.163 0.000 2.875 261 T HA 0.738 5.083 4.350 -0.007 0.000 0.284 261 T C -0.205 174.574 174.700 0.131 0.000 0.995 261 T CA -0.544 61.663 62.100 0.179 0.000 1.060 261 T CB 0.800 69.804 68.868 0.227 0.000 0.967 261 T HN 0.544 nan 8.240 nan 0.000 0.476 262 M N 1.932 121.532 119.600 -0.001 0.000 2.550 262 M HA 0.556 5.032 4.480 -0.007 0.000 0.292 262 M C -1.097 174.937 176.300 -0.442 0.000 1.221 262 M CA -0.760 54.354 55.300 -0.311 0.000 0.873 262 M CB 2.807 35.331 32.600 -0.126 0.000 1.727 262 M HN 0.884 nan 8.290 nan 0.000 0.459 263 C N 2.428 121.295 119.300 -0.721 0.000 2.396 263 C HA 0.922 5.378 4.460 -0.007 0.000 0.321 263 C C -1.294 173.522 174.990 -0.291 0.000 1.233 263 C CA -0.326 58.363 59.018 -0.548 0.000 1.440 263 C CB 0.509 27.728 27.740 -0.869 0.000 2.110 263 C HN 0.696 nan 8.230 nan 0.000 0.473 264 V N 5.517 125.399 119.914 -0.054 0.000 2.638 264 V HA 0.924 5.040 4.120 -0.007 0.000 0.306 264 V C 0.508 176.722 176.094 0.200 0.000 1.052 264 V CA 0.018 62.398 62.300 0.133 0.000 0.885 264 V CB 1.652 33.488 31.823 0.022 0.000 0.999 264 V HN 1.173 nan 8.190 nan 0.000 0.424 265 G N 1.476 110.431 108.800 0.258 0.000 2.660 265 G HA2 0.663 4.619 3.960 -0.007 0.000 0.294 265 G HA3 0.663 4.619 3.960 -0.007 0.000 0.294 265 G C -1.362 173.373 174.900 -0.275 0.000 1.369 265 G CA -0.626 44.389 45.100 -0.141 0.000 0.912 265 G HN 0.747 nan 8.290 nan 0.000 0.479 266 S N -0.133 115.249 115.700 -0.530 0.000 2.672 266 S HA 0.525 4.991 4.470 -0.007 0.000 0.291 266 S C -1.228 173.226 174.600 -0.245 0.000 1.145 266 S CA -0.564 57.471 58.200 -0.275 0.000 1.013 266 S CB 1.164 64.248 63.200 -0.193 0.000 1.017 266 S HN 0.885 nan 8.310 nan 0.000 0.487 267 L N 4.531 125.730 121.223 -0.039 0.000 2.264 267 L HA 0.605 4.941 4.340 -0.007 0.000 0.289 267 L C -0.366 176.387 176.870 -0.194 0.000 1.044 267 L CA -0.046 54.835 54.840 0.067 0.000 0.807 267 L CB 1.197 43.358 42.059 0.169 0.000 1.192 267 L HN 0.727 nan 8.230 nan 0.000 0.425 268 D N 3.418 123.760 120.400 -0.098 0.000 2.325 268 D HA 0.113 4.749 4.640 -0.007 0.000 0.251 268 D C 0.814 177.095 176.300 -0.032 0.000 1.196 268 D CA 0.248 54.173 54.000 -0.125 0.000 0.866 268 D CB 0.430 41.210 40.800 -0.033 0.000 1.101 268 D HN 0.536 nan 8.370 nan 0.000 0.476 269 F N 1.420 121.394 119.950 0.040 0.000 2.161 269 F HA -0.196 4.327 4.527 -0.007 0.000 0.300 269 F C 2.417 178.234 175.800 0.028 0.000 1.089 269 F CA 0.666 58.686 58.000 0.032 0.000 1.282 269 F CB -0.101 38.914 39.000 0.024 0.000 1.010 269 F HN 0.403 nan 8.300 nan 0.000 0.485 270 T N -0.924 113.748 114.554 0.196 0.000 2.701 270 T HA -0.177 4.169 4.350 -0.007 0.000 0.263 270 T C 2.093 176.848 174.700 0.091 0.000 1.040 270 T CA 1.762 63.935 62.100 0.121 0.000 1.147 270 T CB -0.503 68.416 68.868 0.085 0.000 0.865 270 T HN 0.348 nan 8.240 nan 0.000 0.426 271 S N 0.068 115.814 115.700 0.077 0.000 2.503 271 S HA 0.388 4.854 4.470 -0.007 0.000 0.215 271 S C 1.880 176.522 174.600 0.071 0.000 1.003 271 S CA 0.647 58.885 58.200 0.062 0.000 0.910 271 S CB -0.041 63.188 63.200 0.048 0.000 0.790 271 S HN 0.792 nan 8.310 nan 0.000 0.514 272 G N 1.381 110.234 108.800 0.089 0.000 2.148 272 G HA2 -0.317 3.638 3.960 -0.007 0.000 0.254 272 G HA3 -0.317 3.638 3.960 -0.007 0.000 0.254 272 G C -0.181 174.790 174.900 0.119 0.000 0.981 272 G CA 0.347 45.507 45.100 0.100 0.000 0.670 272 G HN 0.781 nan 8.290 nan 0.000 0.528 273 E N -0.205 120.056 120.200 0.102 0.000 2.217 273 E HA 0.462 4.808 4.350 -0.007 0.000 0.279 273 E C -0.646 176.050 176.600 0.159 0.000 1.068 273 E CA -0.890 55.580 56.400 0.115 0.000 0.882 273 E CB -0.003 29.736 29.700 0.064 0.000 1.039 273 E HN 0.244 nan 8.360 nan 0.000 0.418 274 F N 5.120 125.104 119.950 0.056 0.000 2.311 274 F HA 0.221 4.743 4.527 -0.007 0.000 0.371 274 F C -0.336 175.567 175.800 0.171 0.000 1.083 274 F CA -0.573 57.475 58.000 0.080 0.000 1.113 274 F CB 0.975 40.014 39.000 0.064 0.000 1.349 274 F HN 0.452 nan 8.300 nan 0.000 0.470 275 Q N 5.825 125.494 119.800 -0.218 0.000 2.243 275 Q HA 0.386 4.722 4.340 -0.007 0.000 0.252 275 Q C -1.611 174.238 176.000 -0.252 0.000 0.909 275 Q CA -0.641 55.079 55.803 -0.138 0.000 0.922 275 Q CB 1.464 30.133 28.738 -0.115 0.000 1.215 275 Q HN 0.739 nan 8.270 nan 0.000 0.427 276 Y N -0.263 119.903 120.300 -0.224 0.000 2.597 276 Y HA 0.657 5.203 4.550 -0.007 0.000 0.340 276 Y C -1.735 174.135 175.900 -0.050 0.000 1.097 276 Y CA -1.504 56.501 58.100 -0.158 0.000 1.037 276 Y CB 0.976 39.419 38.460 -0.028 0.000 1.305 276 Y HN 0.648 nan 8.280 nan 0.000 0.463 277 C N 2.944 122.250 119.300 0.010 0.000 2.431 277 C HA 0.727 5.182 4.460 -0.007 0.000 0.321 277 C C -0.344 174.682 174.990 0.059 0.000 1.202 277 C CA 0.072 59.071 59.018 -0.032 0.000 1.398 277 C CB 0.508 28.261 27.740 0.022 0.000 2.047 277 C HN 1.036 nan 8.230 nan 0.000 0.465 278 T N 3.293 117.886 114.554 0.065 0.000 3.005 278 T HA 0.575 4.921 4.350 -0.007 0.000 0.323 278 T C 0.121 174.863 174.700 0.071 0.000 1.131 278 T CA -0.200 61.942 62.100 0.071 0.000 0.977 278 T CB 0.761 69.693 68.868 0.106 0.000 1.055 278 T HN 1.127 nan 8.240 nan 0.000 0.562 279 A N 2.684 125.560 122.820 0.093 0.000 2.666 279 A HA 0.640 4.955 4.320 -0.007 0.000 0.312 279 A C 1.634 179.276 177.584 0.097 0.000 1.471 279 A CA -0.206 51.905 52.037 0.123 0.000 1.134 279 A CB -1.209 17.944 19.000 0.254 0.000 1.129 279 A HN 1.869 nan 8.150 nan 0.000 0.539 280 G N 1.198 110.028 108.800 0.050 0.000 2.187 280 G HA2 -0.283 3.673 3.960 -0.007 0.000 0.261 280 G HA3 -0.283 3.673 3.960 -0.007 0.000 0.261 280 G C 0.091 175.018 174.900 0.045 0.000 1.000 280 G CA 1.165 46.285 45.100 0.034 0.000 0.718 280 G HN 1.252 nan 8.290 nan 0.000 0.519 281 H N 0.544 119.582 119.070 -0.052 0.000 2.572 281 H HA 0.580 5.132 4.556 -0.006 0.000 0.359 281 H C -2.182 173.074 175.328 -0.119 0.000 1.134 281 H CA -1.606 54.384 56.048 -0.096 0.000 1.187 281 H CB 2.256 31.933 29.762 -0.141 0.000 1.597 281 H HN 0.068 nan 8.280 nan 0.000 0.524 282 P HA 0.048 nan 4.420 nan 0.000 0.266 282 P C -2.710 174.499 177.300 -0.152 0.000 1.195 282 P CA -1.103 61.874 63.100 -0.205 0.000 0.768 282 P CB 0.094 31.669 31.700 -0.208 0.000 0.838 283 P HA 0.197 nan 4.420 nan 0.000 0.275 283 P C -2.458 174.926 177.300 0.140 0.000 1.227 283 P CA -1.876 61.266 63.100 0.069 0.000 0.781 283 P CB -0.544 31.254 31.700 0.164 0.000 0.906 284 P HA 0.077 nan 4.420 nan 0.000 0.269 284 P C -0.318 177.118 177.300 0.228 0.000 1.209 284 P CA -0.149 63.045 63.100 0.157 0.000 0.776 284 P CB 0.456 32.209 31.700 0.088 0.000 0.876 285 L N 3.791 125.146 121.223 0.219 0.000 2.305 285 L HA 0.330 4.666 4.340 -0.007 0.000 0.281 285 L C -0.388 176.370 176.870 -0.186 0.000 1.085 285 L CA -0.361 54.352 54.840 -0.212 0.000 0.813 285 L CB 0.207 41.899 42.059 -0.612 0.000 1.157 285 L HN 0.288 nan 8.230 nan 0.000 0.436 286 L N 6.279 127.365 121.223 -0.228 0.000 2.294 286 L HA 0.541 4.877 4.340 -0.007 0.000 0.283 286 L C -1.280 175.470 176.870 -0.199 0.000 1.015 286 L CA -0.637 54.091 54.840 -0.186 0.000 0.831 286 L CB 1.442 43.417 42.059 -0.140 0.000 1.217 286 L HN 0.396 nan 8.230 nan 0.000 0.420 287 V N 3.579 123.383 119.914 -0.184 0.000 2.334 287 V HA 0.296 4.412 4.120 -0.007 0.000 0.281 287 V C 0.560 176.581 176.094 -0.122 0.000 1.016 287 V CA -0.557 61.645 62.300 -0.163 0.000 0.832 287 V CB 1.633 33.355 31.823 -0.167 0.000 0.999 287 V HN 0.855 nan 8.190 nan 0.000 0.439 288 T N 2.261 116.755 114.554 -0.101 0.000 2.899 288 T HA 0.474 4.820 4.350 -0.007 0.000 0.295 288 T C 1.551 176.211 174.700 -0.066 0.000 1.033 288 T CA 0.117 62.171 62.100 -0.076 0.000 1.084 288 T CB 1.614 70.446 68.868 -0.060 0.000 0.979 288 T HN 0.783 nan 8.240 nan 0.000 0.532 289 A N 1.986 124.774 122.820 -0.054 0.000 1.940 289 A HA -0.192 4.123 4.320 -0.007 0.000 0.221 289 A C 1.840 179.400 177.584 -0.040 0.000 1.190 289 A CA 1.992 54.002 52.037 -0.044 0.000 0.647 289 A CB -1.008 17.971 19.000 -0.034 0.000 0.821 289 A HN 1.004 nan 8.150 nan 0.000 0.457 290 D N -1.502 118.876 120.400 -0.037 0.000 2.352 290 D HA 0.350 4.986 4.640 -0.007 0.000 0.236 290 D C 0.603 176.880 176.300 -0.039 0.000 1.148 290 D CA 0.622 54.602 54.000 -0.033 0.000 0.844 290 D CB -0.609 40.175 40.800 -0.026 0.000 0.933 290 D HN 1.125 nan 8.370 nan 0.000 0.507 291 A N -0.213 122.578 122.820 -0.049 0.000 2.914 291 A HA -0.163 4.153 4.320 -0.007 0.000 0.280 291 A C 0.437 177.983 177.584 -0.063 0.000 1.447 291 A CA 0.784 52.787 52.037 -0.057 0.000 0.759 291 A CB -2.427 16.545 19.000 -0.047 0.000 1.034 291 A HN 0.530 nan 8.150 nan 0.000 0.529 292 S N -0.469 115.189 115.700 -0.069 0.000 2.456 292 S HA 0.769 5.235 4.470 -0.007 0.000 0.316 292 S C -0.034 174.503 174.600 -0.105 0.000 1.089 292 S CA 0.463 58.618 58.200 -0.074 0.000 1.101 292 S CB 1.231 64.399 63.200 -0.054 0.000 0.995 292 S HN 2.012 nan 8.310 nan 0.000 0.468 293 A N 4.805 127.545 122.820 -0.134 0.000 2.305 293 A HA 0.893 5.209 4.320 -0.007 0.000 0.322 293 A C -0.068 177.395 177.584 -0.202 0.000 1.187 293 A CA -0.937 50.976 52.037 -0.207 0.000 0.825 293 A CB 0.671 19.505 19.000 -0.277 0.000 1.164 293 A HN 1.023 nan 8.150 nan 0.000 0.498 294 R N 1.364 121.725 120.500 -0.232 0.000 2.643 294 R HA 0.476 4.812 4.340 -0.007 0.000 0.269 294 R C -2.021 174.160 176.300 -0.199 0.000 1.037 294 R CA -0.739 55.257 56.100 -0.174 0.000 0.894 294 R CB 0.681 30.951 30.300 -0.049 0.000 1.238 294 R HN 0.506 nan 8.270 nan 0.000 0.459 295 Y N 1.800 122.088 120.300 -0.019 0.000 2.377 295 Y HA 0.192 4.737 4.550 -0.007 0.000 0.330 295 Y C 1.382 177.299 175.900 0.028 0.000 1.108 295 Y CA -0.252 57.859 58.100 0.018 0.000 1.308 295 Y CB 1.188 39.683 38.460 0.058 0.000 1.216 295 Y HN 0.472 nan 8.280 nan 0.000 0.518 296 V N 0.429 120.438 119.914 0.157 0.000 3.319 296 V HA 0.190 4.306 4.120 -0.007 0.000 0.303 296 V C 0.296 176.517 176.094 0.210 0.000 1.094 296 V CA -1.182 61.196 62.300 0.131 0.000 1.106 296 V CB 0.761 32.565 31.823 -0.032 0.000 1.099 296 V HN 0.593 nan 8.190 nan 0.000 0.476 297 E N 2.158 122.508 120.200 0.250 0.000 2.366 297 E HA 0.356 4.702 4.350 -0.007 0.000 0.266 297 E C -2.393 174.352 176.600 0.242 0.000 1.051 297 E CA -1.941 54.583 56.400 0.205 0.000 0.884 297 E CB 0.696 30.490 29.700 0.157 0.000 1.006 297 E HN 0.658 nan 8.360 nan 0.000 0.417 298 P HA -0.014 nan 4.420 nan 0.000 0.268 298 P C 0.793 178.133 177.300 0.066 0.000 1.205 298 P CA 0.230 63.400 63.100 0.117 0.000 0.771 298 P CB 0.403 32.137 31.700 0.057 0.000 0.858 299 T N -0.892 113.674 114.554 0.019 0.000 3.085 299 T HA 0.158 4.504 4.350 -0.007 0.000 0.263 299 T C 1.394 176.064 174.700 -0.050 0.000 1.127 299 T CA 0.787 62.841 62.100 -0.077 0.000 1.103 299 T CB -0.798 67.966 68.868 -0.174 0.000 0.921 299 T HN 0.643 nan 8.240 nan 0.000 0.510 300 G N 1.045 109.829 108.800 -0.027 0.000 2.213 300 G HA2 -0.024 3.931 3.960 -0.007 0.000 0.236 300 G HA3 -0.024 3.931 3.960 -0.007 0.000 0.236 300 G C 0.330 175.195 174.900 -0.059 0.000 0.991 300 G CA -0.135 44.943 45.100 -0.038 0.000 0.629 300 G HN 1.160 nan 8.290 nan 0.000 0.517 301 A N 0.500 123.284 122.820 -0.060 0.000 2.407 301 A HA 0.733 5.048 4.320 -0.007 0.000 0.248 301 A C 1.067 178.596 177.584 -0.091 0.000 1.082 301 A CA 1.169 53.144 52.037 -0.103 0.000 0.785 301 A CB 0.551 19.526 19.000 -0.041 0.000 1.020 301 A HN 1.732 nan 8.150 nan 0.000 0.489 302 G N 0.708 109.411 108.800 -0.161 0.000 2.613 302 G HA2 0.666 4.621 3.960 -0.007 0.000 0.303 302 G HA3 0.666 4.621 3.960 -0.007 0.000 0.303 302 G C -2.901 171.946 174.900 -0.088 0.000 1.312 302 G CA -1.592 43.442 45.100 -0.110 0.000 1.036 302 G HN 0.553 nan 8.290 nan 0.000 0.513 303 P HA 0.289 nan 4.420 nan 0.000 0.277 303 P C -0.350 176.931 177.300 -0.032 0.000 1.276 303 P CA -0.779 62.324 63.100 0.005 0.000 0.788 303 P CB 0.495 32.204 31.700 0.015 0.000 1.114 304 L N 0.166 121.382 121.223 -0.011 0.000 2.485 304 L HA 0.247 4.583 4.340 -0.007 0.000 0.275 304 L C 1.906 178.629 176.870 -0.245 0.000 1.207 304 L CA 2.009 56.747 54.840 -0.170 0.000 0.855 304 L CB -1.412 40.510 42.059 -0.228 0.000 1.114 304 L HN 0.867 nan 8.230 nan 0.000 0.485 305 G N 1.231 109.805 108.800 -0.376 0.000 2.320 305 G HA2 -0.297 3.659 3.960 -0.007 0.000 0.242 305 G HA3 -0.297 3.659 3.960 -0.007 0.000 0.242 305 G C 0.486 175.382 174.900 -0.007 0.000 1.033 305 G CA 0.458 45.538 45.100 -0.033 0.000 0.620 305 G HN 0.961 nan 8.290 nan 0.000 0.517 306 S N 0.142 115.804 115.700 -0.063 0.000 2.596 306 S HA 0.525 4.991 4.470 -0.007 0.000 0.260 306 S C 1.123 175.668 174.600 -0.092 0.000 1.336 306 S CA 0.795 58.951 58.200 -0.072 0.000 0.993 306 S CB 1.673 64.812 63.200 -0.102 0.000 0.923 306 S HN 1.701 nan 8.310 nan 0.000 0.567 307 G N -0.344 108.402 108.800 -0.090 0.000 4.222 307 G HA2 0.331 4.286 3.960 -0.007 0.000 0.301 307 G HA3 0.331 4.286 3.960 -0.007 0.000 0.301 307 G C 0.501 175.319 174.900 -0.138 0.000 1.171 307 G CA -0.334 44.711 45.100 -0.092 0.000 0.937 307 G HN 0.696 nan 8.290 nan 0.000 0.557 308 T N 0.671 115.100 114.554 -0.209 0.000 3.055 308 T HA 0.353 4.699 4.350 -0.007 0.000 0.265 308 T C 1.620 176.150 174.700 -0.284 0.000 1.111 308 T CA 1.374 63.342 62.100 -0.220 0.000 1.118 308 T CB -0.139 68.595 68.868 -0.222 0.000 0.909 308 T HN 1.147 nan 8.240 nan 0.000 0.501 309 G N 1.010 109.553 108.800 -0.429 0.000 2.681 309 G HA2 -0.135 3.821 3.960 -0.007 0.000 0.220 309 G HA3 -0.135 3.821 3.960 -0.007 0.000 0.220 309 G C -0.709 173.726 174.900 -0.776 0.000 1.353 309 G CA -0.709 44.141 45.100 -0.417 0.000 0.872 309 G HN 0.326 nan 8.290 nan 0.000 0.557 310 F N 1.593 121.521 119.950 -0.037 0.000 2.710 310 F HA 0.416 4.939 4.527 -0.007 0.000 0.345 310 F C -1.817 173.947 175.800 -0.060 0.000 1.362 310 F CA -1.108 56.864 58.000 -0.047 0.000 1.175 310 F CB 1.784 40.759 39.000 -0.042 0.000 1.561 310 F HN 0.325 nan 8.300 nan 0.000 0.593 311 P HA 0.271 nan 4.420 nan 0.000 0.271 311 P C -0.514 176.754 177.300 -0.054 0.000 1.216 311 P CA -0.033 63.057 63.100 -0.017 0.000 0.776 311 P CB 1.866 33.538 31.700 -0.047 0.000 0.881 312 V N 0.866 120.725 119.914 -0.093 0.000 2.864 312 V HA 0.703 4.819 4.120 -0.007 0.000 0.314 312 V C 0.003 175.948 176.094 -0.249 0.000 1.073 312 V CA -1.055 61.131 62.300 -0.191 0.000 0.956 312 V CB 2.184 33.923 31.823 -0.139 0.000 1.023 312 V HN 0.421 nan 8.190 nan 0.000 0.435 313 R N 0.959 121.176 120.500 -0.472 0.000 2.919 313 R HA 0.842 5.178 4.340 -0.007 0.000 0.260 313 R C -0.774 175.402 176.300 -0.206 0.000 1.067 313 R CA -0.638 55.252 56.100 -0.350 0.000 1.003 313 R CB 2.374 32.436 30.300 -0.396 0.000 1.192 313 R HN 0.873 nan 8.270 nan 0.000 0.488 314 S N 0.456 116.182 115.700 0.042 0.000 2.542 314 S HA 0.437 4.902 4.470 -0.007 0.000 0.293 314 S C -1.276 173.490 174.600 0.276 0.000 1.089 314 S CA -0.825 57.484 58.200 0.183 0.000 0.961 314 S CB 1.886 65.141 63.200 0.093 0.000 1.062 314 S HN 0.352 nan 8.310 nan 0.000 0.483 315 E N 1.337 121.738 120.200 0.335 0.000 2.343 315 E HA 0.435 4.781 4.350 -0.007 0.000 0.270 315 E C -0.912 175.810 176.600 0.203 0.000 0.895 315 E CA -0.799 55.746 56.400 0.242 0.000 0.767 315 E CB 2.119 31.955 29.700 0.227 0.000 1.248 315 E HN 0.498 nan 8.360 nan 0.000 0.440 316 V N -0.093 119.897 119.914 0.127 0.000 2.407 316 V HA 0.482 4.598 4.120 -0.007 0.000 0.278 316 V C -0.017 176.114 176.094 0.062 0.000 1.037 316 V CA -0.756 61.604 62.300 0.099 0.000 0.900 316 V CB 0.539 32.405 31.823 0.071 0.000 0.983 316 V HN 0.464 nan 8.190 nan 0.000 0.459 317 L N 5.088 126.342 121.223 0.051 0.000 2.264 317 L HA 0.499 4.835 4.340 -0.007 0.000 0.289 317 L C 0.243 177.119 176.870 0.009 0.000 1.044 317 L CA -0.307 54.531 54.840 -0.004 0.000 0.807 317 L CB 1.037 43.063 42.059 -0.054 0.000 1.192 317 L HN 0.725 nan 8.230 nan 0.000 0.425 318 N N 2.599 121.297 118.700 -0.003 0.000 2.408 318 N HA 0.284 5.020 4.740 -0.007 0.000 0.260 318 N C 0.003 175.510 175.510 -0.006 0.000 1.242 318 N CA -0.615 52.436 53.050 0.002 0.000 0.959 318 N CB 0.935 39.420 38.487 -0.002 0.000 1.201 318 N HN 0.286 nan 8.380 nan 0.000 0.511 319 I N 0.957 121.527 120.570 -0.000 0.000 2.741 319 I HA -0.027 4.139 4.170 -0.007 0.000 0.288 319 I C 1.730 177.836 176.117 -0.019 0.000 1.192 319 I CA 0.925 62.221 61.300 -0.006 0.000 1.426 319 I CB -0.972 37.026 38.000 -0.003 0.000 1.367 319 I HN 0.838 nan 8.210 nan 0.000 0.563 320 G N 5.010 113.793 108.800 -0.028 0.000 2.199 320 G HA2 -0.213 3.743 3.960 -0.007 0.000 0.254 320 G HA3 -0.213 3.743 3.960 -0.007 0.000 0.254 320 G C 0.164 175.033 174.900 -0.051 0.000 0.982 320 G CA -0.155 44.923 45.100 -0.038 0.000 0.632 320 G HN 0.538 nan 8.290 nan 0.000 0.529 321 D N 1.180 121.547 120.400 -0.055 0.000 2.372 321 D HA 0.641 5.277 4.640 -0.007 0.000 0.243 321 D C 0.548 176.784 176.300 -0.107 0.000 1.121 321 D CA 1.146 55.099 54.000 -0.078 0.000 0.898 321 D CB 1.414 42.169 40.800 -0.076 0.000 1.202 321 D HN 0.849 nan 8.370 nan 0.000 0.428 322 A N 1.924 124.667 122.820 -0.128 0.000 2.401 322 A HA 0.712 5.028 4.320 -0.007 0.000 0.310 322 A C -0.967 176.501 177.584 -0.194 0.000 1.075 322 A CA -0.646 51.300 52.037 -0.153 0.000 0.746 322 A CB 1.127 20.055 19.000 -0.119 0.000 1.277 322 A HN 0.523 nan 8.150 nan 0.000 0.425 323 I N 1.187 121.614 120.570 -0.238 0.000 2.545 323 I HA 0.602 4.768 4.170 -0.007 0.000 0.292 323 I C -1.804 174.243 176.117 -0.116 0.000 1.040 323 I CA -0.813 60.344 61.300 -0.239 0.000 1.068 323 I CB 1.755 39.464 38.000 -0.484 0.000 1.251 323 I HN 0.487 nan 8.210 nan 0.000 0.424 324 L N 8.054 129.307 121.223 0.050 0.000 2.319 324 L HA 0.507 4.843 4.340 -0.007 0.000 0.281 324 L C -0.912 176.286 176.870 0.547 0.000 1.005 324 L CA -0.108 54.862 54.840 0.217 0.000 0.828 324 L CB 1.144 43.316 42.059 0.187 0.000 1.227 324 L HN 0.310 nan 8.230 nan 0.000 0.415 325 F N 3.797 123.850 119.950 0.171 0.000 2.399 325 F HA 0.674 5.197 4.527 -0.007 0.000 0.328 325 F C 0.090 176.063 175.800 0.288 0.000 1.084 325 F CA -0.995 57.091 58.000 0.143 0.000 1.053 325 F CB 1.203 40.229 39.000 0.042 0.000 1.209 325 F HN 0.459 nan 8.300 nan 0.000 0.502 326 Y N -1.968 118.520 120.300 0.312 0.000 2.677 326 Y HA 0.590 5.136 4.550 -0.007 0.000 0.334 326 Y C -0.935 175.114 175.900 0.249 0.000 1.196 326 Y CA -1.743 56.496 58.100 0.232 0.000 1.059 326 Y CB 0.572 39.149 38.460 0.195 0.000 1.315 326 Y HN 0.555 nan 8.280 nan 0.000 0.455 327 T N -1.896 112.840 114.554 0.303 0.000 2.943 327 T HA 0.200 4.546 4.350 -0.007 0.000 0.284 327 T C 0.565 175.374 174.700 0.182 0.000 1.015 327 T CA -0.043 62.151 62.100 0.158 0.000 1.042 327 T CB 1.414 70.378 68.868 0.159 0.000 1.055 327 T HN 0.883 nan 8.240 nan 0.000 0.500 328 D N 0.849 121.269 120.400 0.033 0.000 2.265 328 D HA -0.108 4.528 4.640 -0.007 0.000 0.208 328 D C 1.932 178.273 176.300 0.067 0.000 0.977 328 D CA 1.389 55.424 54.000 0.058 0.000 0.871 328 D CB -0.943 39.848 40.800 -0.016 0.000 0.925 328 D HN 0.765 nan 8.370 nan 0.000 0.485 329 G N 0.983 109.827 108.800 0.074 0.000 2.469 329 G HA2 -0.270 3.686 3.960 -0.007 0.000 0.220 329 G HA3 -0.270 3.686 3.960 -0.007 0.000 0.220 329 G C 1.604 176.515 174.900 0.018 0.000 1.136 329 G CA 0.976 46.114 45.100 0.064 0.000 0.759 329 G HN 0.361 nan 8.290 nan 0.000 0.562 330 L N 1.282 122.494 121.223 -0.019 0.000 2.083 330 L HA 0.070 4.406 4.340 -0.007 0.000 0.209 330 L C 2.559 179.298 176.870 -0.218 0.000 1.083 330 L CA 1.674 56.411 54.840 -0.172 0.000 0.752 330 L CB -0.179 41.678 42.059 -0.337 0.000 0.899 330 L HN 0.508 nan 8.230 nan 0.000 0.433 331 I N -4.456 116.030 120.570 -0.139 0.000 3.854 331 I HA 0.172 4.338 4.170 -0.007 0.000 0.312 331 I C 0.156 176.257 176.117 -0.027 0.000 1.273 331 I CA 0.055 61.294 61.300 -0.101 0.000 1.298 331 I CB -0.206 37.762 38.000 -0.052 0.000 1.071 331 I HN 0.013 nan 8.210 nan 0.000 0.428 332 E N 4.293 124.491 120.200 -0.003 0.000 2.127 332 E HA 0.319 4.665 4.350 -0.007 0.000 0.262 332 E C -0.577 176.035 176.600 0.021 0.000 1.144 332 E CA -0.066 56.342 56.400 0.013 0.000 1.144 332 E CB 0.408 30.123 29.700 0.025 0.000 1.297 332 E HN 0.514 nan 8.360 nan 0.000 0.469 333 R N 1.340 121.847 120.500 0.012 0.000 2.486 333 R HA 0.373 4.709 4.340 -0.007 0.000 0.286 333 R C -2.328 173.982 176.300 0.017 0.000 0.999 333 R CA -2.042 54.070 56.100 0.020 0.000 0.993 333 R CB 0.204 30.509 30.300 0.008 0.000 1.084 333 R HN 0.014 nan 8.270 nan 0.000 0.487 334 P HA -0.034 nan 4.420 nan 0.000 0.261 334 P C 0.334 177.635 177.300 0.002 0.000 1.183 334 P CA 0.834 63.936 63.100 0.005 0.000 0.761 334 P CB 0.410 32.105 31.700 -0.008 0.000 0.785 335 G N 2.817 111.618 108.800 0.002 0.000 2.305 335 G HA2 -0.286 3.670 3.960 -0.007 0.000 0.287 335 G HA3 -0.286 3.670 3.960 -0.007 0.000 0.287 335 G C -0.054 174.848 174.900 0.003 0.000 1.036 335 G CA -0.150 44.951 45.100 0.001 0.000 0.887 335 G HN 0.634 nan 8.290 nan 0.000 0.505 336 R N -0.185 120.318 120.500 0.005 0.000 2.515 336 R HA 0.332 4.668 4.340 -0.007 0.000 0.278 336 R C -2.709 173.595 176.300 0.007 0.000 1.107 336 R CA -1.588 54.516 56.100 0.007 0.000 0.945 336 R CB 2.594 32.898 30.300 0.007 0.000 1.219 336 R HN 0.141 nan 8.270 nan 0.000 0.434 337 P HA 0.015 nan 4.420 nan 0.000 0.275 337 P C 0.752 178.057 177.300 0.008 0.000 1.227 337 P CA -0.541 62.563 63.100 0.007 0.000 0.781 337 P CB 0.858 32.562 31.700 0.006 0.000 0.906 338 L N 3.079 124.305 121.223 0.005 0.000 2.034 338 L HA -0.257 4.079 4.340 -0.007 0.000 0.217 338 L C 2.056 178.929 176.870 0.004 0.000 1.077 338 L CA 2.109 56.950 54.840 0.002 0.000 0.769 338 L CB -1.132 40.925 42.059 -0.004 0.000 0.890 338 L HN 0.312 nan 8.230 nan 0.000 0.435 339 E N 0.276 120.478 120.200 0.003 0.000 2.070 339 E HA -0.267 4.079 4.350 -0.007 0.000 0.197 339 E C 2.229 178.843 176.600 0.023 0.000 1.004 339 E CA 1.542 57.947 56.400 0.007 0.000 0.805 339 E CB -0.844 28.860 29.700 0.006 0.000 0.744 339 E HN 0.686 nan 8.360 nan 0.000 0.451 340 A N 1.501 124.334 122.820 0.023 0.000 1.873 340 A HA -0.219 4.097 4.320 -0.007 0.000 0.218 340 A C 2.559 180.171 177.584 0.047 0.000 1.193 340 A CA 2.356 54.411 52.037 0.031 0.000 0.629 340 A CB -0.740 18.273 19.000 0.022 0.000 0.826 340 A HN 0.246 nan 8.150 nan 0.000 0.447 341 S N -0.844 114.881 115.700 0.041 0.000 2.368 341 S HA -0.136 4.330 4.470 -0.007 0.000 0.225 341 S C 2.053 176.727 174.600 0.123 0.000 1.030 341 S CA 1.687 59.919 58.200 0.054 0.000 0.999 341 S CB -0.668 62.540 63.200 0.013 0.000 0.844 341 S HN 0.674 nan 8.310 nan 0.000 0.459 342 T N 2.261 116.883 114.554 0.113 0.000 2.684 342 T HA -0.075 4.271 4.350 -0.007 0.000 0.267 342 T C 2.120 176.976 174.700 0.259 0.000 1.036 342 T CA 1.322 63.532 62.100 0.184 0.000 1.148 342 T CB -0.496 68.371 68.868 -0.002 0.000 0.863 342 T HN 0.475 nan 8.240 nan 0.000 0.436 343 A N 0.873 123.783 122.820 0.151 0.000 1.902 343 A HA -0.132 4.183 4.320 -0.007 0.000 0.217 343 A C 2.146 179.798 177.584 0.114 0.000 1.181 343 A CA 2.097 54.209 52.037 0.125 0.000 0.623 343 A CB -0.542 18.503 19.000 0.075 0.000 0.818 343 A HN 0.659 nan 8.150 nan 0.000 0.443 344 E N -1.399 118.874 120.200 0.120 0.000 2.028 344 E HA -0.147 4.199 4.350 -0.007 0.000 0.190 344 E C 1.806 178.495 176.600 0.148 0.000 0.984 344 E CA 0.984 57.447 56.400 0.104 0.000 0.800 344 E CB -0.342 29.408 29.700 0.085 0.000 0.758 344 E HN 0.434 nan 8.360 nan 0.000 0.448 345 F N 1.806 121.755 119.950 -0.001 0.000 2.085 345 F HA -0.298 4.225 4.527 -0.005 0.000 0.299 345 F C 1.943 177.697 175.800 -0.077 0.000 1.096 345 F CA 1.760 59.735 58.000 -0.042 0.000 1.227 345 F CB -1.108 37.864 39.000 -0.046 0.000 0.983 345 F HN 0.143 nan 8.300 nan 0.000 0.482 346 A N 0.254 122.983 122.820 -0.151 0.000 1.845 346 A HA -0.222 4.094 4.320 -0.007 0.000 0.215 346 A C 2.046 179.533 177.584 -0.161 0.000 1.195 346 A CA 1.996 53.849 52.037 -0.306 0.000 0.616 346 A CB -1.268 17.612 19.000 -0.200 0.000 0.832 346 A HN 0.424 nan 8.150 nan 0.000 0.443 347 D N -0.471 119.896 120.400 -0.055 0.000 2.133 347 D HA -0.145 4.491 4.640 -0.007 0.000 0.195 347 D C 1.736 178.017 176.300 -0.031 0.000 0.997 347 D CA 1.156 55.137 54.000 -0.033 0.000 0.840 347 D CB -0.380 40.420 40.800 0.000 0.000 0.947 347 D HN 0.285 nan 8.370 nan 0.000 0.452 348 L N 0.363 121.582 121.223 -0.005 0.000 2.109 348 L HA 0.008 4.344 4.340 -0.007 0.000 0.207 348 L C 2.231 179.089 176.870 -0.020 0.000 1.086 348 L CA 1.091 55.937 54.840 0.009 0.000 0.760 348 L CB -0.630 41.465 42.059 0.059 0.000 0.910 348 L HN -0.034 nan 8.230 nan 0.000 0.437 349 A N -0.787 121.989 122.820 -0.073 0.000 1.877 349 A HA -0.156 4.160 4.320 -0.007 0.000 0.216 349 A C 2.466 179.987 177.584 -0.106 0.000 1.186 349 A CA 1.731 53.696 52.037 -0.120 0.000 0.620 349 A CB -0.974 17.861 19.000 -0.275 0.000 0.822 349 A HN 0.415 nan 8.150 nan 0.000 0.443 350 A N -0.949 121.805 122.820 -0.110 0.000 1.902 350 A HA -0.115 4.201 4.320 -0.007 0.000 0.217 350 A C 2.493 180.043 177.584 -0.056 0.000 1.181 350 A CA 2.218 54.203 52.037 -0.085 0.000 0.623 350 A CB -1.010 17.942 19.000 -0.081 0.000 0.818 350 A HN 0.526 nan 8.150 nan 0.000 0.443 351 S N -0.490 115.184 115.700 -0.043 0.000 2.356 351 S HA -0.123 4.343 4.470 -0.007 0.000 0.223 351 S C 1.883 176.467 174.600 -0.027 0.000 1.032 351 S CA 1.514 59.697 58.200 -0.028 0.000 1.005 351 S CB -0.487 62.703 63.200 -0.017 0.000 0.867 351 S HN 0.475 nan 8.310 nan 0.000 0.449 352 I N 1.623 122.176 120.570 -0.027 0.000 2.286 352 I HA -0.125 4.041 4.170 -0.007 0.000 0.248 352 I C 2.396 178.495 176.117 -0.030 0.000 1.115 352 I CA 1.037 62.323 61.300 -0.023 0.000 1.392 352 I CB -0.360 37.630 38.000 -0.016 0.000 1.065 352 I HN 0.335 nan 8.210 nan 0.000 0.418 353 A N -0.193 122.602 122.820 -0.041 0.000 2.248 353 A HA -0.070 4.246 4.320 -0.007 0.000 0.210 353 A C 1.917 179.480 177.584 -0.036 0.000 1.174 353 A CA 1.667 53.678 52.037 -0.044 0.000 0.750 353 A CB -0.416 18.549 19.000 -0.058 0.000 0.780 353 A HN 0.567 nan 8.150 nan 0.000 0.478 354 S N -2.678 113.004 115.700 -0.030 0.000 4.471 354 S HA 0.403 4.869 4.470 -0.007 0.000 0.191 354 S C 1.377 175.965 174.600 -0.020 0.000 1.128 354 S CA 0.497 58.682 58.200 -0.024 0.000 1.153 354 S CB -1.038 62.147 63.200 -0.024 0.000 1.583 354 S HN 1.081 nan 8.310 nan 0.000 0.590 366 R N 0.056 120.543 120.500 -0.023 0.000 2.500 366 R HA 0.434 4.770 4.340 -0.007 0.000 0.275 366 R C -1.825 174.457 176.300 -0.030 0.000 1.051 366 R CA -1.499 54.583 56.100 -0.030 0.000 1.088 366 R CB 0.473 30.750 30.300 -0.037 0.000 1.063 366 R HN 0.404 nan 8.270 nan 0.000 0.511 367 P HA -0.216 nan 4.420 nan 0.000 0.216 367 P C 1.042 178.321 177.300 -0.036 0.000 1.154 367 P CA 1.106 64.186 63.100 -0.033 0.000 0.865 367 P CB 0.105 31.783 31.700 -0.037 0.000 0.789 368 I N -0.450 120.096 120.570 -0.040 0.000 2.394 368 I HA -0.180 3.986 4.170 -0.007 0.000 0.251 368 I C 1.465 177.561 176.117 -0.035 0.000 1.136 368 I CA 1.666 62.940 61.300 -0.043 0.000 1.425 368 I CB -0.740 37.229 38.000 -0.052 0.000 1.079 368 I HN -0.164 nan 8.210 nan 0.000 0.425 369 D N 0.066 120.448 120.400 -0.031 0.000 2.097 369 D HA -0.210 4.426 4.640 -0.007 0.000 0.197 369 D C 2.257 178.546 176.300 -0.019 0.000 0.984 369 D CA 1.027 55.013 54.000 -0.024 0.000 0.826 369 D CB -0.275 40.514 40.800 -0.020 0.000 0.973 369 D HN 0.324 nan 8.370 nan 0.000 0.460 370 R N 0.187 120.676 120.500 -0.019 0.000 2.081 370 R HA -0.143 4.193 4.340 -0.007 0.000 0.235 370 R C 2.291 178.583 176.300 -0.012 0.000 1.131 370 R CA 0.845 56.935 56.100 -0.015 0.000 0.960 370 R CB -0.361 29.929 30.300 -0.017 0.000 0.856 370 R HN 0.075 nan 8.270 nan 0.000 0.436 371 L N 0.559 121.772 121.223 -0.017 0.000 2.017 371 L HA -0.194 4.142 4.340 -0.007 0.000 0.208 371 L C 2.461 179.335 176.870 0.007 0.000 1.073 371 L CA 1.787 56.620 54.840 -0.012 0.000 0.745 371 L CB -0.923 41.119 42.059 -0.028 0.000 0.894 371 L HN 0.397 nan 8.230 nan 0.000 0.432 372 C N -0.996 118.304 119.300 0.000 0.000 2.548 372 C HA -0.149 4.307 4.460 -0.007 0.000 0.284 372 C C 3.325 178.320 174.990 0.008 0.000 1.252 372 C CA 1.603 60.627 59.018 0.011 0.000 1.725 372 C CB -1.104 26.628 27.740 -0.013 0.000 2.098 372 C HN 0.799 nan 8.230 nan 0.000 0.471 373 S N 1.007 116.704 115.700 -0.006 0.000 2.356 373 S HA -0.207 4.259 4.470 -0.007 0.000 0.223 373 S C 1.317 175.911 174.600 -0.009 0.000 1.032 373 S CA 2.338 60.531 58.200 -0.012 0.000 1.005 373 S CB -0.969 62.222 63.200 -0.015 0.000 0.867 373 S HN 0.721 nan 8.310 nan 0.000 0.449 374 D N 1.535 121.933 120.400 -0.003 0.000 2.084 374 D HA -0.014 4.622 4.640 -0.007 0.000 0.194 374 D C 2.211 178.517 176.300 0.010 0.000 0.990 374 D CA 1.840 55.840 54.000 0.000 0.000 0.826 374 D CB -0.979 39.822 40.800 0.000 0.000 0.971 374 D HN 0.431 nan 8.370 nan 0.000 0.453 375 T N 0.963 115.535 114.554 0.030 0.000 2.597 375 T HA -0.231 4.114 4.350 -0.007 0.000 0.267 375 T C 1.985 176.699 174.700 0.023 0.000 1.053 375 T CA 1.041 63.180 62.100 0.065 0.000 1.165 375 T CB -0.635 68.323 68.868 0.150 0.000 0.863 375 T HN 0.109 nan 8.240 nan 0.000 0.427 376 L N 0.522 121.742 121.223 -0.006 0.000 1.989 376 L HA -0.170 4.166 4.340 -0.007 0.000 0.211 376 L C 2.697 179.540 176.870 -0.046 0.000 1.071 376 L CA 1.787 56.593 54.840 -0.058 0.000 0.749 376 L CB -0.343 41.681 42.059 -0.057 0.000 0.890 376 L HN 0.345 nan 8.230 nan 0.000 0.431 377 E N -0.282 119.900 120.200 -0.029 0.000 2.038 377 E HA -0.272 4.073 4.350 -0.007 0.000 0.195 377 E C 2.231 178.824 176.600 -0.011 0.000 1.000 377 E CA 1.665 58.051 56.400 -0.022 0.000 0.803 377 E CB -0.246 29.442 29.700 -0.019 0.000 0.750 377 E HN 0.519 nan 8.360 nan 0.000 0.448 378 L N 0.690 121.910 121.223 -0.005 0.000 2.291 378 L HA -0.121 4.214 4.340 -0.007 0.000 0.214 378 L C 2.289 179.160 176.870 0.001 0.000 1.120 378 L CA 0.399 55.240 54.840 0.002 0.000 0.799 378 L CB -0.175 41.889 42.059 0.008 0.000 0.925 378 L HN 0.204 nan 8.230 nan 0.000 0.446 379 L N -0.685 120.532 121.223 -0.009 0.000 2.068 379 L HA -0.154 4.182 4.340 -0.007 0.000 0.204 379 L C 2.154 179.017 176.870 -0.013 0.000 1.076 379 L CA 1.150 55.978 54.840 -0.021 0.000 0.753 379 L CB -0.144 41.870 42.059 -0.074 0.000 0.910 379 L HN 0.277 nan 8.230 nan 0.000 0.439 380 L N -0.548 120.671 121.223 -0.007 0.000 2.513 380 L HA 0.037 4.373 4.340 -0.007 0.000 0.222 380 L C 2.603 179.498 176.870 0.042 0.000 1.096 380 L CA -0.106 54.751 54.840 0.029 0.000 0.857 380 L CB -0.408 41.677 42.059 0.043 0.000 1.026 380 L HN 0.286 nan 8.230 nan 0.000 0.469 381 R N 1.179 121.691 120.500 0.021 0.000 2.148 381 R HA -0.102 4.234 4.340 -0.007 0.000 0.227 381 R C 1.830 178.138 176.300 0.013 0.000 1.103 381 R CA 2.086 58.197 56.100 0.018 0.000 0.983 381 R CB -0.726 29.578 30.300 0.006 0.000 0.874 381 R HN 0.430 nan 8.270 nan 0.000 0.451 382 S N -0.128 115.578 115.700 0.010 0.000 2.441 382 S HA -0.059 4.407 4.470 -0.007 0.000 0.224 382 S C 2.003 176.604 174.600 0.003 0.000 1.043 382 S CA 0.712 58.915 58.200 0.004 0.000 0.948 382 S CB -0.256 62.946 63.200 0.003 0.000 0.810 382 S HN 0.554 nan 8.310 nan 0.000 0.504 383 T N -1.209 113.351 114.554 0.009 0.000 2.939 383 T HA 0.497 4.843 4.350 -0.007 0.000 0.254 383 T C 1.403 176.106 174.700 0.006 0.000 1.041 383 T CA 0.764 62.868 62.100 0.007 0.000 1.142 383 T CB -0.942 67.933 68.868 0.011 0.000 0.874 383 T HN 1.321 nan 8.240 nan 0.000 0.452 384 G N 1.287 110.109 108.800 0.036 0.000 2.660 384 G HA2 0.113 4.068 3.960 -0.007 0.000 0.215 384 G HA3 0.113 4.068 3.960 -0.007 0.000 0.215 384 G C -0.647 174.327 174.900 0.122 0.000 1.345 384 G CA -0.255 44.874 45.100 0.048 0.000 0.877 384 G HN 1.364 nan 8.290 nan 0.000 0.549 385 Y N -1.776 118.515 120.300 -0.014 0.000 2.615 385 Y HA 0.751 5.301 4.550 0.000 0.000 0.341 385 Y C 0.423 176.326 175.900 0.004 0.000 1.089 385 Y CA -0.416 57.680 58.100 -0.006 0.000 1.049 385 Y CB 1.444 39.902 38.460 -0.003 0.000 1.296 385 Y HN 0.851 nan 8.280 nan 0.000 0.470 386 N N -1.637 117.168 118.700 0.174 0.000 2.067 386 N HA 0.195 4.931 4.740 -0.007 0.000 0.227 386 N C -1.275 174.324 175.510 0.148 0.000 1.348 386 N CA 0.020 53.123 53.050 0.089 0.000 0.879 386 N CB 0.822 39.333 38.487 0.039 0.000 1.109 386 N HN 0.618 nan 8.380 nan 0.000 0.501 387 D N 0.010 120.532 120.400 0.202 0.000 2.423 387 D HA 0.294 4.930 4.640 -0.007 0.000 0.235 387 D C -1.022 175.393 176.300 0.192 0.000 1.011 387 D CA -0.506 53.593 54.000 0.166 0.000 0.963 387 D CB 1.500 42.373 40.800 0.121 0.000 1.349 387 D HN -0.046 nan 8.370 nan 0.000 0.508 388 D N 0.082 120.580 120.400 0.163 0.000 2.449 388 D HA 0.167 4.803 4.640 -0.007 0.000 0.236 388 D C -0.338 176.036 176.300 0.123 0.000 1.149 388 D CA 0.456 54.551 54.000 0.159 0.000 0.878 388 D CB 0.855 41.761 40.800 0.178 0.000 1.198 388 D HN -0.010 nan 8.370 nan 0.000 0.446 389 V N 1.239 121.209 119.914 0.093 0.000 2.577 389 V HA 0.523 4.638 4.120 -0.007 0.000 0.303 389 V C 0.232 176.418 176.094 0.153 0.000 1.042 389 V CA -0.754 61.587 62.300 0.069 0.000 0.872 389 V CB 1.996 33.781 31.823 -0.063 0.000 0.998 389 V HN 0.755 nan 8.190 nan 0.000 0.423 390 T N 2.940 117.602 114.554 0.181 0.000 2.909 390 T HA 0.801 5.147 4.350 -0.007 0.000 0.299 390 T C -1.621 173.192 174.700 0.189 0.000 1.073 390 T CA -0.683 61.554 62.100 0.228 0.000 0.999 390 T CB 1.861 70.900 68.868 0.285 0.000 1.098 390 T HN 0.591 nan 8.240 nan 0.000 0.477 391 L N 3.552 124.856 121.223 0.135 0.000 2.446 391 L HA 0.748 5.084 4.340 -0.007 0.000 0.268 391 L C -1.798 175.090 176.870 0.029 0.000 0.975 391 L CA -0.901 54.018 54.840 0.132 0.000 0.848 391 L CB 1.513 43.623 42.059 0.086 0.000 1.225 391 L HN 0.810 nan 8.230 nan 0.000 0.410 392 L N 5.309 126.579 121.223 0.079 0.000 2.294 392 L HA 0.913 5.249 4.340 -0.007 0.000 0.283 392 L C -0.505 176.353 176.870 -0.020 0.000 1.015 392 L CA -0.156 54.658 54.840 -0.043 0.000 0.831 392 L CB 1.122 43.179 42.059 -0.003 0.000 1.217 392 L HN 0.744 nan 8.230 nan 0.000 0.420 393 A N 5.863 128.641 122.820 -0.071 0.000 2.350 393 A HA 0.911 5.227 4.320 -0.007 0.000 0.324 393 A C -0.712 176.804 177.584 -0.114 0.000 1.118 393 A CA -0.551 51.445 52.037 -0.068 0.000 0.783 393 A CB 1.320 20.300 19.000 -0.032 0.000 1.236 393 A HN 0.867 nan 8.150 nan 0.000 0.457 394 M N 1.130 120.645 119.600 -0.142 0.000 2.421 394 M HA 0.611 5.087 4.480 -0.007 0.000 0.287 394 M C -1.189 175.033 176.300 -0.131 0.000 1.183 394 M CA -0.162 55.060 55.300 -0.130 0.000 0.916 394 M CB 1.898 34.413 32.600 -0.142 0.000 1.701 394 M HN 0.621 nan 8.290 nan 0.000 0.470 395 Q N 2.206 121.950 119.800 -0.093 0.000 2.340 395 Q HA 0.564 4.900 4.340 -0.007 0.000 0.268 395 Q C -1.218 174.748 176.000 -0.057 0.000 1.031 395 Q CA -0.825 54.928 55.803 -0.084 0.000 0.804 395 Q CB 2.151 30.847 28.738 -0.069 0.000 1.286 395 Q HN 0.945 nan 8.270 nan 0.000 0.448 396 R N 2.281 122.750 120.500 -0.051 0.000 2.438 396 R HA 0.273 4.609 4.340 -0.007 0.000 0.287 396 R C -0.666 175.624 176.300 -0.018 0.000 1.077 396 R CA 0.023 56.116 56.100 -0.011 0.000 1.034 396 R CB 0.550 30.850 30.300 0.000 0.000 0.993 396 R HN 0.688 nan 8.270 nan 0.000 0.459 397 R N 2.365 122.856 120.500 -0.015 0.000 2.855 397 R HA 0.662 4.998 4.340 -0.007 0.000 0.266 397 R C -1.488 174.795 176.300 -0.028 0.000 1.034 397 R CA -0.913 55.169 56.100 -0.029 0.000 0.944 397 R CB 1.114 31.387 30.300 -0.045 0.000 1.219 397 R HN 0.515 nan 8.270 nan 0.000 0.474 398 A N 1.639 124.443 122.820 -0.027 0.000 2.401 398 A HA 0.489 4.805 4.320 -0.007 0.000 0.259 398 A C -2.122 175.438 177.584 -0.040 0.000 1.103 398 A CA -1.597 50.426 52.037 -0.023 0.000 0.789 398 A CB -0.299 18.693 19.000 -0.013 0.000 1.035 398 A HN 0.591 nan 8.150 nan 0.000 0.491 399 P HA 0.191 nan 4.420 nan 0.000 0.268 399 P C -0.068 177.221 177.300 -0.019 0.000 1.205 399 P CA 0.130 63.199 63.100 -0.052 0.000 0.771 399 P CB 0.392 32.063 31.700 -0.047 0.000 0.858 400 T N 4.901 119.440 114.554 -0.025 0.000 2.919 400 T HA 0.246 4.591 4.350 -0.007 0.000 0.302 400 T C -1.845 172.924 174.700 0.116 0.000 1.031 400 T CA -0.716 61.396 62.100 0.021 0.000 1.127 400 T CB -0.387 68.443 68.868 -0.065 0.000 0.952 400 T HN 0.390 nan 8.240 nan 0.000 0.540 401 P HA 0.229 nan 4.420 nan 0.000 0.270 401 P C -2.653 174.840 177.300 0.321 0.000 1.223 401 P CA -1.369 61.836 63.100 0.174 0.000 0.785 401 P CB -0.529 31.246 31.700 0.126 0.000 0.923 402 P HA 0.099 nan 4.420 nan 0.000 0.271 402 P C -0.447 176.767 177.300 -0.142 0.000 1.233 402 P CA -0.211 62.956 63.100 0.113 0.000 0.789 402 P CB 0.224 31.941 31.700 0.028 0.000 0.951 403 L N 2.548 123.397 121.223 -0.623 0.000 2.292 403 L HA 0.389 4.725 4.340 -0.007 0.000 0.284 403 L C -0.394 176.302 176.870 -0.290 0.000 1.065 403 L CA -0.046 54.388 54.840 -0.677 0.000 0.806 403 L CB -0.057 41.214 42.059 -1.313 0.000 1.175 403 L HN 0.441 nan 8.230 nan 0.000 0.431 404 H N 6.304 125.232 119.070 -0.236 0.000 2.667 404 H HA 0.528 5.080 4.556 -0.007 0.000 0.353 404 H C -1.720 173.540 175.328 -0.113 0.000 1.072 404 H CA -0.807 55.151 56.048 -0.151 0.000 1.214 404 H CB 1.576 31.279 29.762 -0.099 0.000 1.600 404 H HN 0.669 nan 8.280 nan 0.000 0.527 405 I N 4.265 124.373 120.570 -0.771 0.000 2.534 405 I HA 0.157 4.322 4.170 -0.007 0.000 0.288 405 I C -0.495 175.220 176.117 -0.670 0.000 1.077 405 I CA -0.614 60.282 61.300 -0.673 0.000 1.051 405 I CB 2.354 40.180 38.000 -0.291 0.000 1.234 405 I HN 0.472 nan 8.210 nan 0.000 0.425 406 T N 7.465 121.690 114.554 -0.548 0.000 2.770 406 T HA 0.748 5.094 4.350 -0.007 0.000 0.283 406 T C -0.381 174.256 174.700 -0.105 0.000 0.988 406 T CA -0.462 61.538 62.100 -0.167 0.000 0.957 406 T CB 0.992 69.888 68.868 0.047 0.000 0.930 406 T HN 0.530 nan 8.240 nan 0.000 0.443 407 L N 0.103 121.284 121.223 -0.071 0.000 2.502 407 L HA 0.820 5.156 4.340 -0.007 0.000 0.253 407 L C -1.384 175.467 176.870 -0.032 0.000 1.070 407 L CA -1.400 53.410 54.840 -0.050 0.000 0.871 407 L CB 1.570 43.595 42.059 -0.057 0.000 1.487 407 L HN 0.186 nan 8.230 nan 0.000 0.408 408 D N 1.563 121.948 120.400 -0.026 0.000 2.424 408 D HA 0.366 5.002 4.640 -0.007 0.000 0.244 408 D C 0.271 176.558 176.300 -0.021 0.000 1.134 408 D CA 0.403 54.390 54.000 -0.022 0.000 0.881 408 D CB 1.741 42.529 40.800 -0.019 0.000 1.191 408 D HN 0.779 nan 8.370 nan 0.000 0.445 409 A N 2.527 125.334 122.820 -0.022 0.000 3.037 409 A HA 0.395 4.711 4.320 -0.007 0.000 0.272 409 A C 0.628 178.200 177.584 -0.019 0.000 1.723 409 A CA -0.343 51.683 52.037 -0.020 0.000 1.413 409 A CB -0.836 18.149 19.000 -0.025 0.000 1.112 409 A HN 0.515 nan 8.150 nan 0.000 0.606 410 T N -2.627 111.916 114.554 -0.017 0.000 2.883 410 T HA 0.493 4.839 4.350 -0.007 0.000 0.284 410 T C 1.039 175.730 174.700 -0.015 0.000 1.041 410 T CA -0.458 61.632 62.100 -0.017 0.000 1.007 410 T CB 0.575 69.433 68.868 -0.017 0.000 1.220 410 T HN 0.068 nan 8.240 nan 0.000 0.552 411 I N 0.910 121.471 120.570 -0.016 0.000 2.335 411 I HA -0.114 4.052 4.170 -0.007 0.000 0.251 411 I C 1.402 177.512 176.117 -0.012 0.000 1.129 411 I CA 1.362 62.654 61.300 -0.015 0.000 1.402 411 I CB -0.302 37.688 38.000 -0.016 0.000 1.069 411 I HN 0.552 nan 8.210 nan 0.000 0.424 412 N N 0.075 118.768 118.700 -0.012 0.000 2.322 412 N HA 0.193 4.929 4.740 -0.007 0.000 0.194 412 N C 1.538 177.042 175.510 -0.011 0.000 1.126 412 N CA 0.747 53.790 53.050 -0.011 0.000 0.845 412 N CB 0.140 38.620 38.487 -0.012 0.000 0.976 412 N HN 0.365 nan 8.380 nan 0.000 0.475 413 A N 0.699 123.513 122.820 -0.010 0.000 1.898 413 A HA 0.037 4.352 4.320 -0.007 0.000 0.216 413 A C 2.258 179.839 177.584 -0.006 0.000 1.181 413 A CA 1.682 53.713 52.037 -0.010 0.000 0.620 413 A CB -0.491 18.504 19.000 -0.008 0.000 0.819 413 A HN 0.274 nan 8.150 nan 0.000 0.442 414 A N -0.647 122.173 122.820 0.001 0.000 1.929 414 A HA -0.092 4.224 4.320 -0.007 0.000 0.216 414 A C 2.251 179.834 177.584 -0.002 0.000 1.176 414 A CA 1.365 53.406 52.037 0.006 0.000 0.628 414 A CB -0.500 18.507 19.000 0.012 0.000 0.816 414 A HN 0.465 nan 8.150 nan 0.000 0.444 415 R N -0.428 120.069 120.500 -0.005 0.000 2.096 415 R HA -0.149 4.187 4.340 -0.007 0.000 0.240 415 R C 2.149 178.445 176.300 -0.007 0.000 1.139 415 R CA 2.267 58.363 56.100 -0.007 0.000 0.952 415 R CB -0.760 29.535 30.300 -0.009 0.000 0.854 415 R HN 0.532 nan 8.270 nan 0.000 0.436 416 T N 0.557 115.105 114.554 -0.011 0.000 2.708 416 T HA -0.098 4.248 4.350 -0.007 0.000 0.266 416 T C 1.940 176.630 174.700 -0.016 0.000 1.037 416 T CA 1.472 63.563 62.100 -0.015 0.000 1.146 416 T CB -0.241 68.614 68.868 -0.022 0.000 0.865 416 T HN 0.040 nan 8.240 nan 0.000 0.435 417 V N 1.574 121.478 119.914 -0.018 0.000 2.295 417 V HA -0.200 3.916 4.120 -0.007 0.000 0.246 417 V C 2.678 178.771 176.094 -0.002 0.000 1.049 417 V CA 1.640 63.928 62.300 -0.020 0.000 1.024 417 V CB -0.607 31.208 31.823 -0.014 0.000 0.648 417 V HN 0.382 nan 8.190 nan 0.000 0.447 418 R N 0.031 120.534 120.500 0.005 0.000 2.113 418 R HA -0.236 4.099 4.340 -0.007 0.000 0.244 418 R C 2.447 178.761 176.300 0.023 0.000 1.142 418 R CA 1.759 57.867 56.100 0.013 0.000 0.953 418 R CB -0.746 29.556 30.300 0.004 0.000 0.860 418 R HN 0.561 nan 8.270 nan 0.000 0.438 419 A N 1.004 123.833 122.820 0.015 0.000 1.865 419 A HA -0.235 4.081 4.320 -0.007 0.000 0.217 419 A C 2.069 179.676 177.584 0.038 0.000 1.191 419 A CA 1.434 53.484 52.037 0.021 0.000 0.623 419 A CB -0.484 18.522 19.000 0.011 0.000 0.826 419 A HN 0.370 nan 8.150 nan 0.000 0.444 420 Q N -1.408 118.410 119.800 0.030 0.000 2.172 420 Q HA -0.056 4.280 4.340 -0.007 0.000 0.200 420 Q C 2.006 178.064 176.000 0.096 0.000 0.964 420 Q CA 1.031 56.861 55.803 0.046 0.000 0.855 420 Q CB -0.189 28.549 28.738 0.002 0.000 0.918 420 Q HN 0.540 nan 8.270 nan 0.000 0.444 421 L N 0.807 122.079 121.223 0.083 0.000 2.093 421 L HA -0.143 4.192 4.340 -0.007 0.000 0.208 421 L C 2.131 179.123 176.870 0.204 0.000 1.085 421 L CA 1.667 56.597 54.840 0.150 0.000 0.755 421 L CB -0.238 41.876 42.059 0.091 0.000 0.904 421 L HN 0.029 nan 8.230 nan 0.000 0.435 422 R N -0.698 119.875 120.500 0.122 0.000 2.075 422 R HA -0.136 4.200 4.340 -0.007 0.000 0.232 422 R C 2.183 178.541 176.300 0.097 0.000 1.126 422 R CA 1.547 57.704 56.100 0.094 0.000 0.963 422 R CB -0.184 30.149 30.300 0.056 0.000 0.858 422 R HN 0.497 nan 8.270 nan 0.000 0.435 423 E N -0.668 119.598 120.200 0.110 0.000 2.051 423 E HA -0.245 4.101 4.350 -0.007 0.000 0.192 423 E C 1.648 178.327 176.600 0.132 0.000 0.991 423 E CA 1.324 57.784 56.400 0.100 0.000 0.799 423 E CB -0.172 29.588 29.700 0.100 0.000 0.748 423 E HN 0.383 nan 8.360 nan 0.000 0.449 424 W N 1.334 122.636 121.300 0.004 0.000 2.381 424 W HA -0.132 4.525 4.660 -0.006 0.000 0.301 424 W C 1.776 178.299 176.519 0.007 0.000 1.205 424 W CA 1.142 58.490 57.345 0.005 0.000 1.285 424 W CB -0.257 29.207 29.460 0.007 0.000 1.133 424 W HN -0.033 nan 8.180 nan 0.000 0.521 425 L N 0.545 121.759 121.223 -0.015 0.000 2.141 425 L HA -0.142 4.193 4.340 -0.007 0.000 0.209 425 L C 2.720 179.479 176.870 -0.187 0.000 1.094 425 L CA 1.274 55.993 54.840 -0.201 0.000 0.763 425 L CB -1.232 40.839 42.059 0.021 0.000 0.908 425 L HN 0.088 nan 8.230 nan 0.000 0.437 426 A N -0.503 122.263 122.820 -0.091 0.000 1.902 426 A HA -0.189 4.127 4.320 -0.007 0.000 0.217 426 A C 2.263 179.772 177.584 -0.125 0.000 1.181 426 A CA 1.382 53.374 52.037 -0.076 0.000 0.623 426 A CB -0.339 18.646 19.000 -0.025 0.000 0.818 426 A HN 0.292 nan 8.150 nan 0.000 0.443 427 E N 0.158 120.262 120.200 -0.160 0.000 2.110 427 E HA -0.168 4.177 4.350 -0.007 0.000 0.193 427 E C 1.951 178.403 176.600 -0.247 0.000 0.988 427 E CA 1.488 57.785 56.400 -0.173 0.000 0.804 427 E CB -0.381 29.234 29.700 -0.142 0.000 0.745 427 E HN 0.878 nan 8.360 nan 0.000 0.458 428 I N -3.171 117.154 120.570 -0.408 0.000 3.428 428 I HA 0.180 4.346 4.170 -0.007 0.000 0.286 428 I C 1.065 177.039 176.117 -0.238 0.000 1.287 428 I CA 0.987 62.059 61.300 -0.379 0.000 1.396 428 I CB -0.135 37.522 38.000 -0.573 0.000 1.062 428 I HN 0.091 nan 8.210 nan 0.000 0.471 429 G N 1.768 110.454 108.800 -0.190 0.000 2.165 429 G HA2 -0.153 3.803 3.960 -0.007 0.000 0.226 429 G HA3 -0.153 3.803 3.960 -0.007 0.000 0.226 429 G C 0.313 175.155 174.900 -0.098 0.000 1.035 429 G CA -0.004 45.024 45.100 -0.119 0.000 0.744 429 G HN 0.937 nan 8.290 nan 0.000 0.501 430 A N -0.420 122.334 122.820 -0.109 0.000 2.425 430 A HA 0.577 4.893 4.320 -0.007 0.000 0.242 430 A C 0.446 178.007 177.584 -0.038 0.000 1.077 430 A CA 0.732 52.730 52.037 -0.065 0.000 0.781 430 A CB 0.383 19.348 19.000 -0.058 0.000 1.020 430 A HN 0.806 nan 8.150 nan 0.000 0.494 431 D N -1.034 119.342 120.400 -0.041 0.000 2.329 431 D HA 0.317 4.953 4.640 -0.007 0.000 0.246 431 D C 1.316 177.567 176.300 -0.082 0.000 1.111 431 D CA 0.047 53.999 54.000 -0.080 0.000 0.941 431 D CB 0.602 41.323 40.800 -0.131 0.000 1.169 431 D HN 0.691 nan 8.370 nan 0.000 0.441 432 H N 0.312 119.394 119.070 0.019 0.000 2.387 432 H HA -0.072 4.480 4.556 -0.007 0.000 0.299 432 H C 1.678 177.020 175.328 0.024 0.000 1.099 432 H CA 1.692 57.750 56.048 0.017 0.000 1.315 432 H CB -0.480 29.290 29.762 0.013 0.000 1.380 432 H HN 0.184 nan 8.280 nan 0.000 0.513 433 S N 0.436 116.025 115.700 -0.185 0.000 2.370 433 S HA -0.174 4.292 4.470 -0.007 0.000 0.226 433 S C 1.581 176.191 174.600 0.017 0.000 1.033 433 S CA 1.413 59.609 58.200 -0.007 0.000 1.011 433 S CB -0.240 62.908 63.200 -0.086 0.000 0.852 433 S HN 0.514 nan 8.310 nan 0.000 0.457 434 D N 1.213 121.618 120.400 0.009 0.000 2.144 434 D HA 0.034 4.669 4.640 -0.007 0.000 0.200 434 D C 1.869 178.167 176.300 -0.003 0.000 0.978 434 D CA 0.656 54.690 54.000 0.058 0.000 0.833 434 D CB -0.303 40.580 40.800 0.139 0.000 0.961 434 D HN 0.347 nan 8.370 nan 0.000 0.470 435 I N 1.179 121.763 120.570 0.024 0.000 2.208 435 I HA -0.269 3.897 4.170 -0.007 0.000 0.245 435 I C 2.460 178.593 176.117 0.026 0.000 1.097 435 I CA 1.096 62.417 61.300 0.034 0.000 1.363 435 I CB -0.224 37.808 38.000 0.053 0.000 1.051 435 I HN -0.073 nan 8.210 nan 0.000 0.413 436 A N 0.307 123.152 122.820 0.041 0.000 1.930 436 A HA -0.205 4.111 4.320 -0.007 0.000 0.217 436 A C 1.982 179.583 177.584 0.028 0.000 1.175 436 A CA 1.778 53.842 52.037 0.045 0.000 0.627 436 A CB -0.489 18.555 19.000 0.073 0.000 0.815 436 A HN 0.329 nan 8.150 nan 0.000 0.443 437 D N 0.114 120.494 120.400 -0.034 0.000 2.084 437 D HA -0.115 4.520 4.640 -0.007 0.000 0.194 437 D C 1.902 178.105 176.300 -0.162 0.000 0.990 437 D CA 1.359 55.287 54.000 -0.121 0.000 0.826 437 D CB -0.305 40.333 40.800 -0.271 0.000 0.971 437 D HN 0.501 nan 8.370 nan 0.000 0.453 438 I N 0.489 120.947 120.570 -0.187 0.000 2.252 438 I HA -0.197 3.969 4.170 -0.007 0.000 0.245 438 I C 2.466 178.550 176.117 -0.054 0.000 1.102 438 I CA 0.458 61.677 61.300 -0.135 0.000 1.385 438 I CB -0.069 37.898 38.000 -0.056 0.000 1.064 438 I HN -0.136 nan 8.210 nan 0.000 0.414 439 V N 0.362 120.272 119.914 -0.007 0.000 2.407 439 V HA -0.353 3.763 4.120 -0.007 0.000 0.248 439 V C 2.413 178.520 176.094 0.021 0.000 1.055 439 V CA 2.253 64.561 62.300 0.013 0.000 1.049 439 V CB -0.979 30.858 31.823 0.024 0.000 0.662 439 V HN 0.528 nan 8.190 nan 0.000 0.455 440 H N 0.120 119.131 119.070 -0.099 0.000 2.290 440 H HA -0.199 4.353 4.556 -0.007 0.000 0.298 440 H C 2.296 177.506 175.328 -0.196 0.000 1.087 440 H CA 1.544 57.523 56.048 -0.114 0.000 1.291 440 H CB 0.033 29.736 29.762 -0.099 0.000 1.369 440 H HN 0.413 nan 8.280 nan 0.000 0.492 441 A N 0.972 123.688 122.820 -0.174 0.000 1.883 441 A HA -0.171 4.145 4.320 -0.007 0.000 0.217 441 A C 2.495 179.668 177.584 -0.685 0.000 1.186 441 A CA 1.839 53.563 52.037 -0.520 0.000 0.624 441 A CB -0.738 17.960 19.000 -0.504 0.000 0.822 441 A HN 0.529 nan 8.150 nan 0.000 0.444 442 I N -1.098 119.275 120.570 -0.329 0.000 2.406 442 I HA -0.144 4.022 4.170 -0.007 0.000 0.249 442 I C 2.767 178.871 176.117 -0.021 0.000 1.122 442 I CA 1.167 62.389 61.300 -0.131 0.000 1.431 442 I CB -0.264 37.743 38.000 0.012 0.000 1.087 442 I HN 0.417 nan 8.210 nan 0.000 0.424 443 S N 0.703 116.387 115.700 -0.027 0.000 2.359 443 S HA -0.216 4.250 4.470 -0.007 0.000 0.224 443 S C 1.991 176.614 174.600 0.037 0.000 1.035 443 S CA 1.551 59.759 58.200 0.013 0.000 1.018 443 S CB -0.130 63.072 63.200 0.004 0.000 0.876 443 S HN 0.345 nan 8.310 nan 0.000 0.448 444 E N 0.233 120.438 120.200 0.009 0.000 2.106 444 E HA -0.051 4.295 4.350 -0.007 0.000 0.192 444 E C 1.840 178.544 176.600 0.174 0.000 0.984 444 E CA 0.710 57.145 56.400 0.059 0.000 0.806 444 E CB -0.436 29.281 29.700 0.028 0.000 0.750 444 E HN 0.545 nan 8.360 nan 0.000 0.458 445 F N 0.845 120.825 119.950 0.050 0.000 2.095 445 F HA -0.184 4.339 4.527 -0.007 0.000 0.298 445 F C 2.530 178.354 175.800 0.039 0.000 1.104 445 F CA 0.552 58.576 58.000 0.040 0.000 1.232 445 F CB -1.301 37.711 39.000 0.021 0.000 0.987 445 F HN -0.142 nan 8.300 nan 0.000 0.475 446 V N -0.094 119.959 119.914 0.231 0.000 2.295 446 V HA -0.222 3.893 4.120 -0.007 0.000 0.246 446 V C 2.331 178.486 176.094 0.101 0.000 1.049 446 V CA 1.815 64.191 62.300 0.126 0.000 1.024 446 V CB -0.528 31.340 31.823 0.075 0.000 0.648 446 V HN 0.248 nan 8.190 nan 0.000 0.447 447 E N 0.290 120.549 120.200 0.099 0.000 2.150 447 E HA -0.168 4.178 4.350 -0.007 0.000 0.193 447 E C 2.015 178.671 176.600 0.093 0.000 0.985 447 E CA 0.938 57.382 56.400 0.073 0.000 0.814 447 E CB -0.329 29.410 29.700 0.064 0.000 0.752 447 E HN 0.592 nan 8.360 nan 0.000 0.466 448 N N 0.890 119.683 118.700 0.156 0.000 2.250 448 N HA -0.058 4.678 4.740 -0.007 0.000 0.181 448 N C 1.776 177.403 175.510 0.195 0.000 1.017 448 N CA 1.111 54.295 53.050 0.223 0.000 0.866 448 N CB -0.272 38.376 38.487 0.269 0.000 0.985 448 N HN 0.107 nan 8.380 nan 0.000 0.429 449 A N 0.887 123.790 122.820 0.139 0.000 1.908 449 A HA -0.100 4.216 4.320 -0.007 0.000 0.218 449 A C 2.481 180.100 177.584 0.058 0.000 1.181 449 A CA 1.444 53.535 52.037 0.090 0.000 0.627 449 A CB -0.805 18.228 19.000 0.056 0.000 0.818 449 A HN 0.090 nan 8.150 nan 0.000 0.445 450 V N 0.964 120.904 119.914 0.043 0.000 2.244 450 V HA -0.290 3.826 4.120 -0.007 0.000 0.244 450 V C 2.671 178.760 176.094 -0.010 0.000 1.042 450 V CA 2.395 64.700 62.300 0.009 0.000 1.006 450 V CB -0.978 30.846 31.823 0.002 0.000 0.641 450 V HN 0.916 nan 8.190 nan 0.000 0.446 451 E N -0.121 120.060 120.200 -0.031 0.000 2.028 451 E HA -0.229 4.117 4.350 -0.007 0.000 0.190 451 E C 1.368 177.863 176.600 -0.175 0.000 0.984 451 E CA 1.382 57.698 56.400 -0.140 0.000 0.800 451 E CB -0.435 29.129 29.700 -0.227 0.000 0.758 451 E HN 0.687 nan 8.360 nan 0.000 0.448 452 H N 0.959 120.079 119.070 0.083 0.000 2.813 452 H HA 0.279 4.831 4.556 -0.007 0.000 0.312 452 H C -0.229 175.181 175.328 0.137 0.000 1.228 452 H CA 0.519 56.648 56.048 0.135 0.000 1.154 452 H CB 0.025 29.893 29.762 0.176 0.000 1.418 452 H HN 0.200 nan 8.280 nan 0.000 0.525 453 G N 0.968 109.837 108.800 0.115 0.000 2.428 453 G HA2 0.198 4.154 3.960 -0.007 0.000 0.320 453 G HA3 0.198 4.154 3.960 -0.007 0.000 0.320 453 G C 0.519 175.434 174.900 0.025 0.000 1.098 453 G CA -0.655 44.466 45.100 0.035 0.000 0.984 453 G HN 0.494 nan 8.290 nan 0.000 0.444 454 Y N 1.704 122.038 120.300 0.057 0.000 2.502 454 Y HA 0.553 5.099 4.550 -0.007 0.000 0.295 454 Y C 1.162 177.056 175.900 -0.011 0.000 1.193 454 Y CA -0.701 57.393 58.100 -0.010 0.000 1.295 454 Y CB -0.097 38.404 38.460 0.068 0.000 1.059 454 Y HN 0.477 nan 8.280 nan 0.000 0.514 455 A N 1.210 123.961 122.820 -0.116 0.000 2.388 455 A HA 0.301 4.616 4.320 -0.007 0.000 0.257 455 A C 1.468 179.042 177.584 -0.017 0.000 1.095 455 A CA 0.162 52.149 52.037 -0.083 0.000 0.791 455 A CB 0.254 19.168 19.000 -0.144 0.000 1.029 455 A HN 0.569 nan 8.150 nan 0.000 0.489 456 T N -0.333 114.225 114.554 0.006 0.000 2.732 456 T HA -0.067 4.279 4.350 -0.007 0.000 0.261 456 T C 0.418 175.110 174.700 -0.012 0.000 1.040 456 T CA 1.287 63.386 62.100 -0.001 0.000 1.145 456 T CB -0.628 68.246 68.868 0.009 0.000 0.866 456 T HN 0.531 nan 8.240 nan 0.000 0.427 457 D N 1.599 121.991 120.400 -0.013 0.000 2.426 457 D HA 0.185 4.820 4.640 -0.007 0.000 0.271 457 D C 1.051 177.333 176.300 -0.031 0.000 1.376 457 D CA 0.015 54.003 54.000 -0.019 0.000 1.149 457 D CB 0.473 41.262 40.800 -0.018 0.000 1.118 457 D HN 0.078 nan 8.370 nan 0.000 0.529 458 V N 1.794 121.692 119.914 -0.027 0.000 2.548 458 V HA -0.140 3.976 4.120 -0.007 0.000 0.249 458 V C 1.293 177.372 176.094 -0.024 0.000 1.055 458 V CA 1.010 63.293 62.300 -0.028 0.000 1.065 458 V CB -0.047 31.761 31.823 -0.024 0.000 0.681 458 V HN 0.540 nan 8.190 nan 0.000 0.462 459 S N 0.813 116.502 115.700 -0.019 0.000 2.555 459 S HA -0.006 4.460 4.470 -0.007 0.000 0.293 459 S C 0.777 175.369 174.600 -0.014 0.000 1.248 459 S CA 0.093 58.285 58.200 -0.014 0.000 1.096 459 S CB -0.588 62.606 63.200 -0.010 0.000 0.881 459 S HN 0.569 nan 8.310 nan 0.000 0.498 460 K N 2.426 122.818 120.400 -0.013 0.000 3.088 460 K HA -0.174 4.142 4.320 -0.007 0.000 0.273 460 K C 0.935 177.527 176.600 -0.014 0.000 1.111 460 K CA 0.775 57.056 56.287 -0.011 0.000 0.803 460 K CB -1.815 30.685 32.500 -0.001 0.000 1.226 460 K HN 0.831 nan 8.250 nan 0.000 0.485 461 G N 0.082 108.869 108.800 -0.022 0.000 2.920 461 G HA2 0.142 4.098 3.960 -0.007 0.000 0.208 461 G HA3 0.142 4.098 3.960 -0.007 0.000 0.208 461 G C 0.387 175.271 174.900 -0.027 0.000 1.159 461 G CA 0.076 45.159 45.100 -0.029 0.000 0.784 461 G HN 0.282 nan 8.290 nan 0.000 0.535 462 I N 1.164 121.721 120.570 -0.023 0.000 2.447 462 I HA 0.292 4.458 4.170 -0.007 0.000 0.287 462 I C -1.076 175.025 176.117 -0.026 0.000 1.023 462 I CA -0.813 60.474 61.300 -0.022 0.000 1.083 462 I CB 2.552 40.542 38.000 -0.018 0.000 1.245 462 I HN -0.311 nan 8.210 nan 0.000 0.434 463 V N 7.042 126.945 119.914 -0.017 0.000 2.409 463 V HA 0.464 4.580 4.120 -0.007 0.000 0.291 463 V C -0.116 175.966 176.094 -0.020 0.000 1.020 463 V CA -0.700 61.595 62.300 -0.010 0.000 0.848 463 V CB 2.041 33.883 31.823 0.031 0.000 0.990 463 V HN 0.397 nan 8.190 nan 0.000 0.430 464 V N 3.692 123.572 119.914 -0.057 0.000 2.495 464 V HA 0.904 5.019 4.120 -0.007 0.000 0.298 464 V C 0.202 176.255 176.094 -0.068 0.000 1.031 464 V CA -0.394 61.872 62.300 -0.057 0.000 0.871 464 V CB 1.707 33.483 31.823 -0.078 0.000 0.988 464 V HN 1.038 nan 8.190 nan 0.000 0.432 465 A N 3.690 126.477 122.820 -0.054 0.000 2.414 465 A HA 1.022 5.337 4.320 -0.007 0.000 0.306 465 A C -0.498 177.009 177.584 -0.129 0.000 1.054 465 A CA -0.283 51.707 52.037 -0.078 0.000 0.724 465 A CB 1.924 20.910 19.000 -0.024 0.000 1.267 465 A HN 1.599 nan 8.150 nan 0.000 0.418 466 A N 0.591 123.255 122.820 -0.260 0.000 2.488 466 A HA 0.930 5.246 4.320 -0.007 0.000 0.298 466 A C -0.520 176.877 177.584 -0.311 0.000 1.044 466 A CA 0.167 52.027 52.037 -0.295 0.000 0.693 466 A CB 1.260 19.970 19.000 -0.483 0.000 1.272 466 A HN 2.579 nan 8.150 nan 0.000 0.402 467 A N 1.021 123.868 122.820 0.045 0.000 2.572 467 A HA 0.766 5.082 4.320 -0.007 0.000 0.295 467 A C -1.692 176.087 177.584 0.325 0.000 1.072 467 A CA -0.471 51.711 52.037 0.242 0.000 0.691 467 A CB 1.360 20.428 19.000 0.114 0.000 1.291 467 A HN 1.913 nan 8.150 nan 0.000 0.404 468 L N 1.469 122.882 121.223 0.317 0.000 2.307 468 L HA 0.860 5.196 4.340 -0.007 0.000 0.284 468 L C 0.257 177.167 176.870 0.066 0.000 1.023 468 L CA 0.108 55.036 54.840 0.147 0.000 0.810 468 L CB 1.279 43.367 42.059 0.048 0.000 1.231 468 L HN 1.143 nan 8.230 nan 0.000 0.423 469 A N 2.926 125.770 122.820 0.040 0.000 2.309 469 A HA 0.649 4.965 4.320 -0.007 0.000 0.317 469 A C 0.895 178.470 177.584 -0.015 0.000 1.134 469 A CA -0.121 51.925 52.037 0.014 0.000 0.866 469 A CB 0.843 19.866 19.000 0.038 0.000 1.329 469 A HN 0.932 nan 8.150 nan 0.000 0.477 470 G N -0.436 108.360 108.800 -0.007 0.000 2.848 470 G HA2 0.037 3.993 3.960 -0.007 0.000 0.208 470 G HA3 0.037 3.993 3.960 -0.007 0.000 0.208 470 G C 0.328 175.324 174.900 0.160 0.000 1.152 470 G CA 1.083 46.200 45.100 0.028 0.000 0.789 470 G HN 0.798 nan 8.290 nan 0.000 0.531 471 D N -1.011 119.444 120.400 0.093 0.000 2.349 471 D HA 0.177 4.813 4.640 -0.007 0.000 0.214 471 D C 1.634 177.965 176.300 0.051 0.000 1.063 471 D CA 0.267 54.315 54.000 0.080 0.000 0.847 471 D CB -0.395 40.439 40.800 0.056 0.000 0.933 471 D HN 0.327 nan 8.370 nan 0.000 0.513 472 G N 0.118 108.940 108.800 0.037 0.000 2.159 472 G HA2 -0.291 3.665 3.960 -0.007 0.000 0.256 472 G HA3 -0.291 3.665 3.960 -0.007 0.000 0.256 472 G C -0.238 174.666 174.900 0.006 0.000 0.977 472 G CA -0.032 45.077 45.100 0.016 0.000 0.652 472 G HN 0.499 nan 8.290 nan 0.000 0.531 473 N N -0.664 118.049 118.700 0.021 0.000 2.473 473 N HA 0.560 5.296 4.740 -0.007 0.000 0.291 473 N C -0.137 175.418 175.510 0.076 0.000 1.083 473 N CA -0.557 52.512 53.050 0.032 0.000 0.951 473 N CB 2.295 40.801 38.487 0.033 0.000 1.164 473 N HN 0.067 nan 8.380 nan 0.000 0.480 474 V N 2.257 122.242 119.914 0.119 0.000 2.509 474 V HA 0.378 4.494 4.120 -0.007 0.000 0.284 474 V C 0.215 176.406 176.094 0.162 0.000 1.047 474 V CA -0.296 62.113 62.300 0.182 0.000 0.952 474 V CB 0.934 32.907 31.823 0.250 0.000 0.988 474 V HN 0.608 nan 8.190 nan 0.000 0.469 475 R N 2.760 123.347 120.500 0.145 0.000 2.480 475 R HA 0.815 5.151 4.340 -0.007 0.000 0.306 475 R C -0.776 175.579 176.300 0.091 0.000 0.958 475 R CA -0.326 55.838 56.100 0.106 0.000 0.861 475 R CB 2.052 32.398 30.300 0.075 0.000 1.171 475 R HN 0.842 nan 8.270 nan 0.000 0.445 476 A N 1.352 124.225 122.820 0.088 0.000 2.539 476 A HA 0.701 5.017 4.320 -0.007 0.000 0.296 476 A C -1.095 176.528 177.584 0.065 0.000 1.073 476 A CA -0.740 51.334 52.037 0.062 0.000 0.700 476 A CB 1.884 20.932 19.000 0.081 0.000 1.296 476 A HN 0.676 nan 8.150 nan 0.000 0.405 477 S N -0.163 115.555 115.700 0.030 0.000 2.548 477 S HA 0.780 5.246 4.470 -0.007 0.000 0.286 477 S C -1.109 173.493 174.600 0.002 0.000 1.098 477 S CA -0.709 57.492 58.200 0.001 0.000 0.930 477 S CB 1.613 64.798 63.200 -0.024 0.000 1.070 477 S HN 1.097 nan 8.310 nan 0.000 0.480 478 V N 2.984 122.872 119.914 -0.043 0.000 2.407 478 V HA 0.488 4.604 4.120 -0.007 0.000 0.291 478 V C -0.751 175.296 176.094 -0.078 0.000 1.018 478 V CA -0.534 61.749 62.300 -0.029 0.000 0.842 478 V CB 1.065 32.913 31.823 0.042 0.000 0.996 478 V HN 0.899 nan 8.190 nan 0.000 0.426 479 I N 5.041 125.584 120.570 -0.045 0.000 2.404 479 I HA 0.589 4.755 4.170 -0.007 0.000 0.293 479 I C -0.473 175.625 176.117 -0.031 0.000 0.992 479 I CA -0.377 60.896 61.300 -0.045 0.000 1.149 479 I CB 1.995 39.976 38.000 -0.031 0.000 1.315 479 I HN 0.802 nan 8.210 nan 0.000 0.446 480 D N 3.913 124.293 120.400 -0.033 0.000 2.614 480 D HA 0.416 5.052 4.640 -0.007 0.000 0.264 480 D C 0.183 176.452 176.300 -0.051 0.000 1.092 480 D CA -0.877 53.101 54.000 -0.036 0.000 1.071 480 D CB 1.320 42.104 40.800 -0.027 0.000 1.443 480 D HN 0.260 nan 8.370 nan 0.000 0.528 481 R N -0.800 119.646 120.500 -0.091 0.000 2.317 481 R HA 0.432 4.768 4.340 -0.007 0.000 0.208 481 R C -0.167 175.975 176.300 -0.262 0.000 0.914 481 R CA 0.209 56.231 56.100 -0.129 0.000 1.060 481 R CB 0.440 30.668 30.300 -0.120 0.000 1.015 481 R HN 0.607 nan 8.270 nan 0.000 0.498 482 G N 0.714 109.335 108.800 -0.298 0.000 2.220 482 G HA2 -0.059 3.897 3.960 -0.007 0.000 0.232 482 G HA3 -0.059 3.897 3.960 -0.007 0.000 0.232 482 G C -1.334 173.456 174.900 -0.183 0.000 1.680 482 G CA -0.906 44.031 45.100 -0.272 0.000 0.922 482 G HN 0.033 nan 8.290 nan 0.000 0.723 483 Q N 0.583 120.490 119.800 0.178 0.000 2.193 483 Q HA 0.618 4.954 4.340 -0.007 0.000 0.246 483 Q C -0.187 176.083 176.000 0.450 0.000 0.959 483 Q CA -0.808 55.171 55.803 0.293 0.000 0.904 483 Q CB 2.247 31.111 28.738 0.210 0.000 1.238 483 Q HN 0.657 nan 8.270 nan 0.000 0.469 498 L N 1.658 122.954 121.223 0.122 0.000 2.253 498 L HA 0.657 4.993 4.340 -0.007 0.000 0.205 498 L C 2.882 179.792 176.870 0.065 0.000 1.078 498 L CA 2.383 57.286 54.840 0.106 0.000 0.805 498 L CB -0.217 41.877 42.059 0.059 0.000 0.963 498 L HN 0.368 nan 8.230 nan 0.000 0.459 499 A N -0.220 122.627 122.820 0.045 0.000 1.969 499 A HA -0.175 4.141 4.320 -0.007 0.000 0.218 499 A C 2.293 179.879 177.584 0.004 0.000 1.169 499 A CA 1.733 53.784 52.037 0.024 0.000 0.635 499 A CB -0.690 18.323 19.000 0.023 0.000 0.810 499 A HN 0.532 nan 8.150 nan 0.000 0.445 500 M N 0.351 119.952 119.600 0.002 0.000 2.115 500 M HA -0.211 4.264 4.480 -0.007 0.000 0.258 500 M C 2.287 178.516 176.300 -0.118 0.000 1.071 500 M CA 2.427 57.692 55.300 -0.058 0.000 1.100 500 M CB -0.981 31.596 32.600 -0.039 0.000 1.292 500 M HN 0.406 nan 8.290 nan 0.000 0.415 501 A N -0.269 122.507 122.820 -0.073 0.000 1.898 501 A HA -0.171 4.145 4.320 -0.007 0.000 0.216 501 A C 1.890 179.450 177.584 -0.040 0.000 1.181 501 A CA 1.765 53.743 52.037 -0.099 0.000 0.620 501 A CB -0.845 18.168 19.000 0.022 0.000 0.819 501 A HN 0.720 nan 8.150 nan 0.000 0.442 502 E N -0.302 119.902 120.200 0.007 0.000 2.160 502 E HA -0.165 4.181 4.350 -0.007 0.000 0.195 502 E C 2.080 178.682 176.600 0.003 0.000 0.991 502 E CA 0.968 57.378 56.400 0.018 0.000 0.810 502 E CB -0.240 29.475 29.700 0.024 0.000 0.742 502 E HN 0.632 nan 8.360 nan 0.000 0.466 503 A N 0.239 123.047 122.820 -0.021 0.000 2.119 503 A HA -0.027 4.289 4.320 -0.007 0.000 0.216 503 A C 1.932 179.493 177.584 -0.038 0.000 1.152 503 A CA 0.642 52.665 52.037 -0.023 0.000 0.708 503 A CB -0.067 18.916 19.000 -0.028 0.000 0.805 503 A HN 0.126 nan 8.150 nan 0.000 0.460 504 L N -1.858 119.318 121.223 -0.079 0.000 2.357 504 L HA 0.231 4.567 4.340 -0.007 0.000 0.211 504 L C 0.137 176.970 176.870 -0.060 0.000 1.075 504 L CA 0.234 55.008 54.840 -0.110 0.000 0.830 504 L CB 0.477 42.388 42.059 -0.246 0.000 0.996 504 L HN 0.147 nan 8.230 nan 0.000 0.467 505 V N -1.669 118.247 119.914 0.004 0.000 3.114 505 V HA 0.173 4.289 4.120 -0.007 0.000 0.308 505 V C 0.847 177.068 176.094 0.211 0.000 1.168 505 V CA -0.273 62.115 62.300 0.146 0.000 1.015 505 V CB 2.353 34.180 31.823 0.008 0.000 1.050 505 V HN 0.014 nan 8.190 nan 0.000 0.433 506 S N 1.783 117.664 115.700 0.302 0.000 2.387 506 S HA -0.108 4.358 4.470 -0.007 0.000 0.230 506 S C 0.313 174.961 174.600 0.079 0.000 1.035 506 S CA 1.670 59.934 58.200 0.106 0.000 1.014 506 S CB -0.275 62.930 63.200 0.008 0.000 0.836 506 S HN 0.872 nan 8.310 nan 0.000 0.466 507 E N -1.071 119.187 120.200 0.097 0.000 2.388 507 E HA 0.708 5.054 4.350 -0.007 0.000 0.281 507 E C -1.363 175.293 176.600 0.092 0.000 1.046 507 E CA -1.068 55.376 56.400 0.074 0.000 0.825 507 E CB 1.432 31.162 29.700 0.051 0.000 1.243 507 E HN 0.104 nan 8.360 nan 0.000 0.438 508 A N 1.655 124.527 122.820 0.087 0.000 2.527 508 A HA 0.926 5.242 4.320 -0.007 0.000 0.293 508 A C -1.074 176.548 177.584 0.063 0.000 1.117 508 A CA -0.834 51.277 52.037 0.123 0.000 0.723 508 A CB 1.821 20.936 19.000 0.193 0.000 1.313 508 A HN 0.584 nan 8.150 nan 0.000 0.411 509 R N 0.103 120.619 120.500 0.026 0.000 2.629 509 R HA 0.528 4.864 4.340 -0.007 0.000 0.266 509 R C -1.815 174.405 176.300 -0.135 0.000 1.051 509 R CA -0.762 55.312 56.100 -0.044 0.000 0.895 509 R CB 1.843 32.117 30.300 -0.044 0.000 1.246 509 R HN 0.521 nan 8.270 nan 0.000 0.459 510 I N 2.959 123.430 120.570 -0.165 0.000 2.436 510 I HA 0.449 4.615 4.170 -0.007 0.000 0.289 510 I C -0.410 175.507 176.117 -0.333 0.000 1.010 510 I CA -0.692 60.434 61.300 -0.291 0.000 1.098 510 I CB 1.746 39.571 38.000 -0.293 0.000 1.266 510 I HN 0.592 nan 8.210 nan 0.000 0.434 511 M N 5.566 124.945 119.600 -0.369 0.000 2.326 511 M HA 0.462 4.938 4.480 -0.007 0.000 0.306 511 M C -0.928 175.174 176.300 -0.330 0.000 1.054 511 M CA -0.431 54.698 55.300 -0.285 0.000 0.922 511 M CB 2.344 34.856 32.600 -0.146 0.000 1.632 511 M HN 0.349 nan 8.290 nan 0.000 0.436 512 H N 0.787 119.842 119.070 -0.026 0.000 2.572 512 H HA 0.804 5.356 4.556 -0.007 0.000 0.359 512 H C -0.460 174.868 175.328 0.000 0.000 1.134 512 H CA -0.798 55.245 56.048 -0.009 0.000 1.187 512 H CB 2.072 31.830 29.762 -0.007 0.000 1.597 512 H HN 0.888 nan 8.280 nan 0.000 0.524 513 G N -0.019 108.872 108.800 0.152 0.000 2.680 513 G HA2 0.521 4.477 3.960 -0.007 0.000 0.290 513 G HA3 0.521 4.477 3.960 -0.007 0.000 0.290 513 G C -0.805 174.159 174.900 0.106 0.000 1.355 513 G CA -0.509 44.648 45.100 0.095 0.000 0.903 513 G HN 0.720 nan 8.290 nan 0.000 0.474 514 A N -0.734 122.135 122.820 0.083 0.000 2.567 514 A HA 0.480 4.796 4.320 -0.007 0.000 0.240 514 A C 1.706 179.363 177.584 0.123 0.000 1.053 514 A CA 1.545 53.643 52.037 0.102 0.000 0.755 514 A CB -0.532 18.508 19.000 0.067 0.000 0.978 514 A HN 2.721 nan 8.150 nan 0.000 0.507 515 G N 1.309 110.226 108.800 0.196 0.000 2.187 515 G HA2 0.207 4.163 3.960 -0.007 0.000 0.261 515 G HA3 0.207 4.163 3.960 -0.007 0.000 0.261 515 G C 0.882 175.815 174.900 0.056 0.000 1.000 515 G CA 0.843 46.022 45.100 0.132 0.000 0.718 515 G HN 2.637 nan 8.290 nan 0.000 0.519 516 G N -2.149 106.700 108.800 0.081 0.000 2.702 516 G HA2 0.708 4.663 3.960 -0.007 0.000 0.296 516 G HA3 0.708 4.663 3.960 -0.007 0.000 0.296 516 G C -0.907 174.048 174.900 0.091 0.000 1.463 516 G CA 0.441 45.569 45.100 0.047 0.000 0.890 516 G HN 0.841 nan 8.290 nan 0.000 0.534 517 T N 0.865 115.455 114.554 0.060 0.000 2.848 517 T HA 0.691 5.037 4.350 -0.007 0.000 0.285 517 T C -0.467 174.199 174.700 -0.056 0.000 0.995 517 T CA -0.469 61.666 62.100 0.057 0.000 0.970 517 T CB 1.885 70.829 68.868 0.127 0.000 0.976 517 T HN 0.483 nan 8.240 nan 0.000 0.441 518 T N 2.581 117.057 114.554 -0.129 0.000 2.786 518 T HA 0.679 5.025 4.350 -0.007 0.000 0.283 518 T C -0.354 174.176 174.700 -0.284 0.000 0.992 518 T CA -0.589 61.410 62.100 -0.168 0.000 0.954 518 T CB 1.155 69.950 68.868 -0.121 0.000 0.934 518 T HN 0.778 nan 8.240 nan 0.000 0.440 519 A N 3.213 125.791 122.820 -0.404 0.000 2.287 519 A HA 0.798 5.114 4.320 -0.007 0.000 0.317 519 A C 0.428 177.677 177.584 -0.559 0.000 1.220 519 A CA -0.740 50.847 52.037 -0.749 0.000 0.835 519 A CB 0.538 18.618 19.000 -1.534 0.000 1.180 519 A HN 0.822 nan 8.150 nan 0.000 0.500 520 T N -0.126 114.244 114.554 -0.307 0.000 2.916 520 T HA 0.779 5.125 4.350 -0.007 0.000 0.292 520 T C -0.679 174.104 174.700 0.137 0.000 1.055 520 T CA -0.637 61.437 62.100 -0.044 0.000 1.009 520 T CB 1.178 70.026 68.868 -0.034 0.000 1.118 520 T HN 1.528 nan 8.240 nan 0.000 0.497 521 L N -1.452 119.880 121.223 0.183 0.000 2.424 521 L HA 0.906 5.242 4.340 -0.007 0.000 0.258 521 L C -0.755 176.195 176.870 0.135 0.000 0.995 521 L CA -0.855 54.093 54.840 0.179 0.000 0.821 521 L CB 1.668 43.857 42.059 0.217 0.000 1.383 521 L HN 0.725 nan 8.230 nan 0.000 0.410 522 T N 0.562 115.191 114.554 0.125 0.000 2.792 522 T HA 0.582 4.928 4.350 -0.007 0.000 0.280 522 T C -1.366 173.434 174.700 0.166 0.000 0.990 522 T CA -0.173 61.999 62.100 0.119 0.000 0.960 522 T CB 0.609 69.522 68.868 0.075 0.000 0.939 522 T HN 0.828 nan 8.240 nan 0.000 0.439 523 H N 1.625 120.728 119.070 0.055 0.000 2.689 523 H HA 0.508 5.060 4.556 -0.007 0.000 0.346 523 H C -0.327 175.024 175.328 0.039 0.000 1.037 523 H CA -0.814 55.260 56.048 0.043 0.000 1.234 523 H CB 1.029 30.818 29.762 0.045 0.000 1.572 523 H HN 0.470 nan 8.280 nan 0.000 0.524 524 R N 5.505 125.722 120.500 -0.472 0.000 2.298 524 R HA 0.284 4.619 4.340 -0.007 0.000 0.310 524 R C -0.814 175.275 176.300 -0.352 0.000 1.068 524 R CA -0.403 55.513 56.100 -0.306 0.000 0.957 524 R CB 0.254 30.427 30.300 -0.213 0.000 1.003 524 R HN 0.595 nan 8.270 nan 0.000 0.454 525 L N 4.095 125.244 121.223 -0.122 0.000 2.326 525 L HA 0.356 4.692 4.340 -0.007 0.000 0.278 525 L C 0.009 176.857 176.870 -0.037 0.000 1.092 525 L CA -0.373 54.441 54.840 -0.043 0.000 0.810 525 L CB 1.555 43.614 42.059 -0.001 0.000 1.153 525 L HN 0.826 nan 8.230 nan 0.000 0.439 526 S N 3.131 118.819 115.700 -0.019 0.000 2.564 526 S HA 0.741 5.207 4.470 -0.007 0.000 0.274 526 S C -0.824 173.776 174.600 -0.001 0.000 1.124 526 S CA -1.132 57.067 58.200 -0.002 0.000 0.869 526 S CB 2.539 65.739 63.200 -0.000 0.000 1.105 526 S HN 0.614 nan 8.310 nan 0.000 0.472 527 R N 0.963 121.470 120.500 0.012 0.000 2.621 527 R HA 0.613 4.948 4.340 -0.007 0.000 0.292 527 R C -2.975 173.350 176.300 0.042 0.000 0.969 527 R CA -2.255 53.849 56.100 0.006 0.000 0.887 527 R CB 2.053 32.352 30.300 -0.003 0.000 1.180 527 R HN 0.489 nan 8.270 nan 0.000 0.450 528 P HA 0.086 nan 4.420 nan 0.000 0.275 528 P C -0.812 176.559 177.300 0.119 0.000 1.228 528 P CA -0.281 62.877 63.100 0.098 0.000 0.786 528 P CB 0.894 32.647 31.700 0.089 0.000 0.927 529 A N 3.329 126.272 122.820 0.205 0.000 2.371 529 A HA 0.287 4.603 4.320 -0.007 0.000 0.257 529 A C 0.467 178.187 177.584 0.226 0.000 1.089 529 A CA -0.431 51.727 52.037 0.202 0.000 0.794 529 A CB -0.101 19.119 19.000 0.367 0.000 1.029 529 A HN 0.553 nan 8.150 nan 0.000 0.488 530 R N 1.423 122.006 120.500 0.139 0.000 2.234 530 R HA 0.354 4.690 4.340 -0.007 0.000 0.324 530 R C -1.044 175.279 176.300 0.039 0.000 1.054 530 R CA -0.066 56.089 56.100 0.091 0.000 0.912 530 R CB 0.164 30.477 30.300 0.021 0.000 1.030 530 R HN 0.631 nan 8.270 nan 0.000 0.455 531 F N 6.624 126.448 119.950 -0.210 0.000 2.350 531 F HA 0.334 4.858 4.527 -0.006 0.000 0.365 531 F C -0.885 174.727 175.800 -0.314 0.000 1.122 531 F CA -0.953 56.721 58.000 -0.543 0.000 1.139 531 F CB 0.678 39.430 39.000 -0.414 0.000 1.220 531 F HN 0.159 nan 8.300 nan 0.000 0.499 532 V N 4.267 123.828 119.914 -0.588 0.000 2.539 532 V HA 0.557 4.673 4.120 -0.007 0.000 0.292 532 V C 0.039 175.810 176.094 -0.539 0.000 1.045 532 V CA -0.475 61.551 62.300 -0.457 0.000 0.945 532 V CB 1.599 33.261 31.823 -0.269 0.000 0.993 532 V HN 0.761 nan 8.190 nan 0.000 0.464 533 T N 0.754 115.099 114.554 -0.349 0.000 3.548 533 T HA 0.295 4.641 4.350 -0.007 0.000 0.329 533 T C -0.192 174.452 174.700 -0.093 0.000 0.960 533 T CA -0.087 61.885 62.100 -0.212 0.000 1.041 533 T CB 1.440 70.134 68.868 -0.291 0.000 1.065 533 T HN 0.897 nan 8.240 nan 0.000 0.459 534 D N 2.933 123.329 120.400 -0.007 0.000 2.753 534 D HA -0.014 4.622 4.640 -0.007 0.000 0.291 534 D C 1.472 177.844 176.300 0.120 0.000 1.075 534 D CA 0.992 55.069 54.000 0.129 0.000 0.946 534 D CB 0.151 41.052 40.800 0.170 0.000 1.376 534 D HN 0.581 nan 8.370 nan 0.000 0.482 535 T N -1.839 112.745 114.554 0.050 0.000 3.039 535 T HA 0.359 4.704 4.350 -0.007 0.000 0.250 535 T C 1.060 175.754 174.700 -0.010 0.000 1.052 535 T CA 0.444 62.557 62.100 0.021 0.000 1.125 535 T CB 0.448 69.324 68.868 0.013 0.000 0.908 535 T HN 0.277 nan 8.240 nan 0.000 0.473 536 M N 0.000 119.589 119.600 -0.018 0.000 2.572 536 M HA 0.000 4.476 4.480 -0.007 0.000 0.227 536 M CA 0.000 55.280 55.300 -0.034 0.000 0.988 536 M CB 0.000 32.573 32.600 -0.045 0.000 1.302 536 M HN 0.000 nan 8.290 nan 0.000 0.411