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 2ii5_1_F DATA FIRST_RESID 188 DATA SEQUENCE GKDRTEPVKG FHKAMVKTMS AALKIPHFGY CDEVDLTELV KLREELKPIA DATA SEQUENCE FARGIKLSFM PFFLKAASLG LLQFPILNAS VDENCQNITY KASHNIGIAM DATA SEQUENCE DTEQGLIVPN VKNVQIRSIF EIATELNRLQ KLGSAGQLST NDLIGGTFTL DATA SEQUENCE SNIGSIGGTY AKPVILPPEV AIGALGTIKA LPRFNEKGEV CKAQIMNVSW DATA SEQUENCE SADHRIIDGA TVSRFSNLWK SYLENPAFML LDLK 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 188 G HA2 0.000 nan 3.960 nan 0.000 0.244 188 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 188 G C 0.000 174.899 174.900 -0.002 0.000 0.946 188 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 189 K N 1.426 121.825 120.400 -0.002 0.000 2.316 189 K HA 0.439 4.759 4.320 -0.000 0.000 0.251 189 K C -1.734 174.864 176.600 -0.003 0.000 0.934 189 K CA -0.832 55.454 56.287 -0.002 0.000 0.802 189 K CB 2.413 34.912 32.500 -0.002 0.000 1.171 189 K HN 0.039 nan 8.250 nan 0.000 0.426 190 D N 2.228 122.626 120.400 -0.004 0.000 2.472 190 D HA -0.016 4.623 4.640 -0.000 0.000 0.248 190 D C -0.069 176.228 176.300 -0.005 0.000 1.174 190 D CA 0.663 54.660 54.000 -0.005 0.000 0.883 190 D CB 0.406 41.202 40.800 -0.005 0.000 1.149 190 D HN 0.166 nan 8.370 nan 0.000 0.488 191 R N 1.940 122.437 120.500 -0.005 0.000 2.310 191 R HA 0.349 4.689 4.340 -0.000 0.000 0.324 191 R C -0.901 175.395 176.300 -0.007 0.000 0.955 191 R CA -0.506 55.591 56.100 -0.005 0.000 0.830 191 R CB 0.762 31.060 30.300 -0.003 0.000 1.154 191 R HN 0.256 nan 8.270 nan 0.000 0.458 192 T N 4.682 119.232 114.554 -0.008 0.000 2.799 192 T HA 0.251 4.601 4.350 -0.000 0.000 0.286 192 T C -0.813 173.881 174.700 -0.011 0.000 0.973 192 T CA -0.505 61.589 62.100 -0.010 0.000 1.035 192 T CB 1.037 69.899 68.868 -0.010 0.000 0.932 192 T HN 0.688 nan 8.240 nan 0.000 0.469 193 E N 2.988 123.180 120.200 -0.014 0.000 2.352 193 E HA 0.479 4.829 4.350 -0.000 0.000 0.280 193 E C -2.907 173.679 176.600 -0.022 0.000 0.930 193 E CA -2.060 54.330 56.400 -0.016 0.000 0.765 193 E CB 0.807 30.498 29.700 -0.014 0.000 1.219 193 E HN 0.241 nan 8.360 nan 0.000 0.434 194 P HA -0.031 nan 4.420 nan 0.000 0.263 194 P C -0.611 176.663 177.300 -0.043 0.000 1.168 194 P CA -0.229 62.851 63.100 -0.033 0.000 0.759 194 P CB 0.408 32.086 31.700 -0.037 0.000 0.782 195 V N 4.797 124.686 119.914 -0.040 0.000 2.458 195 V HA -0.058 4.061 4.120 -0.000 0.000 0.287 195 V C 1.151 177.195 176.094 -0.083 0.000 1.009 195 V CA 0.110 62.385 62.300 -0.042 0.000 1.091 195 V CB -0.483 31.326 31.823 -0.023 0.000 0.960 195 V HN 0.500 nan 8.190 nan 0.000 0.476 196 K N 4.244 124.564 120.400 -0.133 0.000 2.561 196 K HA -0.051 4.269 4.320 -0.000 0.000 0.280 196 K C 1.591 177.946 176.600 -0.409 0.000 0.975 196 K CA 0.610 56.691 56.287 -0.344 0.000 1.024 196 K CB 0.297 32.413 32.500 -0.639 0.000 0.883 196 K HN 0.855 nan 8.250 nan 0.000 0.496 197 G N 3.162 111.732 108.800 -0.382 0.000 2.513 197 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.219 197 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.219 197 G C 1.261 176.051 174.900 -0.184 0.000 1.160 197 G CA 1.290 46.251 45.100 -0.231 0.000 0.767 197 G HN 0.754 nan 8.290 nan 0.000 0.571 198 F N -0.860 119.029 119.950 -0.103 0.000 2.365 198 F HA 0.162 4.689 4.527 -0.000 0.000 0.300 198 F C 2.220 177.941 175.800 -0.132 0.000 1.090 198 F CA 1.067 58.981 58.000 -0.143 0.000 1.408 198 F CB -0.583 38.291 39.000 -0.209 0.000 1.060 198 F HN 0.226 nan 8.300 nan 0.000 0.534 199 H N 0.373 119.495 119.070 0.086 0.000 2.547 199 H HA 0.083 4.639 4.556 -0.000 0.000 0.272 199 H C 1.724 177.073 175.328 0.036 0.000 0.989 199 H CA 0.316 56.433 56.048 0.114 0.000 1.214 199 H CB 0.022 29.798 29.762 0.023 0.000 1.389 199 H HN 0.280 nan 8.280 nan 0.000 0.577 200 K N 0.470 120.925 120.400 0.091 0.000 2.209 200 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 200 K C 2.315 178.954 176.600 0.064 0.000 1.048 200 K CA 0.742 57.061 56.287 0.053 0.000 0.940 200 K CB 0.058 32.567 32.500 0.015 0.000 0.729 200 K HN 0.253 nan 8.250 nan 0.000 0.451 201 A N 1.473 124.343 122.820 0.083 0.000 1.902 201 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 201 A C 2.111 179.737 177.584 0.070 0.000 1.181 201 A CA 1.439 53.519 52.037 0.071 0.000 0.623 201 A CB -0.413 18.632 19.000 0.075 0.000 0.818 201 A HN 0.267 nan 8.150 nan 0.000 0.443 202 M N -0.385 119.273 119.600 0.096 0.000 2.117 202 M HA -0.127 4.353 4.480 -0.000 0.000 0.262 202 M C 1.952 178.282 176.300 0.050 0.000 1.065 202 M CA 1.673 57.019 55.300 0.077 0.000 1.114 202 M CB -0.235 32.427 32.600 0.103 0.000 1.361 202 M HN 0.225 nan 8.290 nan 0.000 0.408 203 V N 0.840 120.783 119.914 0.050 0.000 2.252 203 V HA -0.354 3.766 4.120 -0.000 0.000 0.249 203 V C 2.362 178.470 176.094 0.023 0.000 1.056 203 V CA 2.364 64.681 62.300 0.028 0.000 1.022 203 V CB -0.956 30.881 31.823 0.023 0.000 0.641 203 V HN 0.540 nan 8.190 nan 0.000 0.445 204 K N -0.432 119.985 120.400 0.028 0.000 2.002 204 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 204 K C 2.277 178.892 176.600 0.025 0.000 1.048 204 K CA 2.073 58.374 56.287 0.024 0.000 0.930 204 K CB -0.433 32.081 32.500 0.025 0.000 0.714 204 K HN 0.487 nan 8.250 nan 0.000 0.438 205 T N 1.922 116.494 114.554 0.030 0.000 2.607 205 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 205 T C 1.888 176.605 174.700 0.027 0.000 1.049 205 T CA 1.839 63.956 62.100 0.029 0.000 1.162 205 T CB -0.116 68.771 68.868 0.032 0.000 0.863 205 T HN 0.209 nan 8.240 nan 0.000 0.424 206 M N 1.401 121.015 119.600 0.024 0.000 2.108 206 M HA -0.043 4.437 4.480 -0.000 0.000 0.261 206 M C 2.580 178.888 176.300 0.013 0.000 1.066 206 M CA 1.335 56.644 55.300 0.015 0.000 1.107 206 M CB -1.571 31.031 32.600 0.004 0.000 1.356 206 M HN 0.151 nan 8.290 nan 0.000 0.406 207 S N 0.892 116.599 115.700 0.013 0.000 2.399 207 S HA -0.023 4.446 4.470 -0.000 0.000 0.231 207 S C 2.072 176.684 174.600 0.019 0.000 1.022 207 S CA 1.183 59.389 58.200 0.011 0.000 0.983 207 S CB -0.329 62.876 63.200 0.009 0.000 0.803 207 S HN 0.585 nan 8.310 nan 0.000 0.480 208 A N 1.294 124.129 122.820 0.024 0.000 1.968 208 A HA 0.331 4.650 4.320 -0.000 0.000 0.217 208 A C 2.237 179.848 177.584 0.043 0.000 1.169 208 A CA 1.190 53.244 52.037 0.028 0.000 0.638 208 A CB -0.769 18.246 19.000 0.025 0.000 0.812 208 A HN 0.487 nan 8.150 nan 0.000 0.446 209 A N -0.181 122.673 122.820 0.057 0.000 2.178 209 A HA 0.061 4.380 4.320 -0.000 0.000 0.218 209 A C 1.884 179.546 177.584 0.130 0.000 1.157 209 A CA 0.987 53.091 52.037 0.112 0.000 0.689 209 A CB -0.623 18.459 19.000 0.138 0.000 0.787 209 A HN 0.489 nan 8.150 nan 0.000 0.465 210 L N -0.947 120.315 121.223 0.064 0.000 2.353 210 L HA -0.149 4.191 4.340 -0.000 0.000 0.220 210 L C 2.109 179.020 176.870 0.068 0.000 1.133 210 L CA 1.134 56.005 54.840 0.052 0.000 0.798 210 L CB -0.285 41.788 42.059 0.023 0.000 0.922 210 L HN 0.336 nan 8.230 nan 0.000 0.445 211 K N 0.109 120.547 120.400 0.064 0.000 2.459 211 K HA 0.154 4.474 4.320 -0.000 0.000 0.193 211 K C 0.386 177.022 176.600 0.061 0.000 1.030 211 K CA 0.327 56.644 56.287 0.050 0.000 1.026 211 K CB 0.278 32.797 32.500 0.033 0.000 0.809 211 K HN 0.279 nan 8.250 nan 0.000 0.504 212 I N 2.876 123.506 120.570 0.099 0.000 2.321 212 I HA 0.151 4.321 4.170 -0.000 0.000 0.291 212 I C -2.449 173.758 176.117 0.150 0.000 0.998 212 I CA -2.603 58.735 61.300 0.065 0.000 1.227 212 I CB 1.311 39.293 38.000 -0.030 0.000 1.368 212 I HN -0.286 nan 8.210 nan 0.000 0.466 213 P HA 0.166 nan 4.420 nan 0.000 0.277 213 P C -0.959 176.444 177.300 0.171 0.000 1.354 213 P CA -0.283 62.910 63.100 0.154 0.000 0.891 213 P CB -0.031 31.735 31.700 0.110 0.000 1.058 214 H N 2.539 121.672 119.070 0.106 0.000 2.848 214 H HA 0.232 4.788 4.556 -0.000 0.000 0.317 214 H C -0.376 175.070 175.328 0.196 0.000 1.046 214 H CA 0.347 56.466 56.048 0.119 0.000 1.470 214 H CB -0.155 29.638 29.762 0.052 0.000 1.483 214 H HN 0.296 nan 8.280 nan 0.000 0.548 215 F N 2.704 122.744 119.950 0.150 0.000 2.420 215 F HA 0.539 5.066 4.527 -0.000 0.000 0.342 215 F C 0.408 176.298 175.800 0.150 0.000 1.113 215 F CA -0.854 57.251 58.000 0.174 0.000 1.059 215 F CB 1.167 40.277 39.000 0.183 0.000 1.128 215 F HN 0.525 nan 8.300 nan 0.000 0.475 216 G N 5.107 113.475 108.800 -0.719 0.000 2.416 216 G HA2 0.452 4.412 3.960 -0.000 0.000 0.324 216 G HA3 0.452 4.412 3.960 -0.000 0.000 0.324 216 G C -2.471 172.056 174.900 -0.621 0.000 1.194 216 G CA -0.508 44.313 45.100 -0.465 0.000 0.922 216 G HN 0.718 nan 8.290 nan 0.000 0.467 217 Y N 1.492 121.614 120.300 -0.297 0.000 2.421 217 Y HA 0.603 5.153 4.550 -0.000 0.000 0.339 217 Y C -0.519 175.428 175.900 0.078 0.000 0.996 217 Y CA -1.236 56.811 58.100 -0.089 0.000 1.046 217 Y CB 1.430 39.978 38.460 0.147 0.000 1.226 217 Y HN 0.672 nan 8.280 nan 0.000 0.445 218 C N 4.288 123.292 119.300 -0.494 0.000 2.848 218 C HA 0.790 5.250 4.460 -0.000 0.000 0.317 218 C C -0.959 173.799 174.990 -0.386 0.000 1.260 218 C CA -0.526 58.310 59.018 -0.303 0.000 1.656 218 C CB 1.912 29.447 27.740 -0.342 0.000 2.174 218 C HN 0.916 nan 8.230 nan 0.000 0.479 219 D N -0.584 119.819 120.400 0.005 0.000 2.665 219 D HA 0.408 5.048 4.640 -0.000 0.000 0.287 219 D C -1.508 174.895 176.300 0.172 0.000 1.266 219 D CA -0.307 53.735 54.000 0.071 0.000 0.830 219 D CB 1.672 42.571 40.800 0.166 0.000 1.356 219 D HN 0.807 nan 8.370 nan 0.000 0.437 220 E N -0.332 119.942 120.200 0.124 0.000 2.207 220 E HA 0.627 4.977 4.350 -0.000 0.000 0.270 220 E C -1.332 175.306 176.600 0.063 0.000 0.927 220 E CA -0.941 55.497 56.400 0.063 0.000 0.799 220 E CB 2.382 32.098 29.700 0.027 0.000 1.172 220 E HN 0.073 nan 8.360 nan 0.000 0.404 221 V N 2.186 122.113 119.914 0.023 0.000 2.577 221 V HA 0.249 4.369 4.120 -0.000 0.000 0.303 221 V C -1.502 174.569 176.094 -0.037 0.000 1.042 221 V CA -0.792 61.515 62.300 0.012 0.000 0.872 221 V CB 1.829 33.669 31.823 0.030 0.000 0.998 221 V HN 0.891 nan 8.190 nan 0.000 0.423 222 D N 5.730 126.106 120.400 -0.040 0.000 2.339 222 D HA 0.278 4.917 4.640 -0.000 0.000 0.241 222 D C 0.402 176.663 176.300 -0.065 0.000 1.183 222 D CA 0.034 54.003 54.000 -0.051 0.000 0.859 222 D CB 1.229 42.007 40.800 -0.038 0.000 1.067 222 D HN 0.616 nan 8.370 nan 0.000 0.484 223 L N 3.435 124.617 121.223 -0.068 0.000 2.872 223 L HA 0.080 4.419 4.340 -0.000 0.000 0.245 223 L C 1.869 178.715 176.870 -0.041 0.000 1.211 223 L CA -0.182 54.622 54.840 -0.060 0.000 1.013 223 L CB 0.112 42.130 42.059 -0.070 0.000 1.326 223 L HN 0.311 nan 8.230 nan 0.000 0.525 224 T N -0.660 113.869 114.554 -0.043 0.000 2.607 224 T HA -0.205 4.144 4.350 -0.000 0.000 0.267 224 T C 1.711 176.393 174.700 -0.030 0.000 1.049 224 T CA 1.400 63.483 62.100 -0.030 0.000 1.162 224 T CB 0.013 68.863 68.868 -0.030 0.000 0.863 224 T HN 0.283 nan 8.240 nan 0.000 0.424 225 E N 0.952 121.124 120.200 -0.047 0.000 2.035 225 E HA -0.113 4.237 4.350 -0.000 0.000 0.204 225 E C 2.273 178.831 176.600 -0.069 0.000 1.025 225 E CA 0.968 57.333 56.400 -0.059 0.000 0.835 225 E CB -0.783 28.867 29.700 -0.082 0.000 0.764 225 E HN 0.370 nan 8.360 nan 0.000 0.457 226 L N 0.754 121.929 121.223 -0.081 0.000 2.042 226 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 226 L C 2.465 179.289 176.870 -0.077 0.000 1.076 226 L CA 1.115 55.874 54.840 -0.135 0.000 0.749 226 L CB -0.234 41.767 42.059 -0.096 0.000 0.893 226 L HN 0.033 nan 8.230 nan 0.000 0.432 227 V N -0.087 119.874 119.914 0.079 0.000 2.287 227 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 227 V C 2.549 178.647 176.094 0.005 0.000 1.053 227 V CA 2.122 64.512 62.300 0.150 0.000 1.027 227 V CB -0.675 31.230 31.823 0.136 0.000 0.646 227 V HN 0.471 nan 8.190 nan 0.000 0.447 228 K N -0.068 120.321 120.400 -0.017 0.000 2.009 228 K HA -0.203 4.116 4.320 -0.000 0.000 0.210 228 K C 2.286 178.851 176.600 -0.058 0.000 1.049 228 K CA 1.959 58.228 56.287 -0.031 0.000 0.929 228 K CB -0.312 32.173 32.500 -0.026 0.000 0.714 228 K HN 0.435 nan 8.250 nan 0.000 0.440 229 L N 1.098 122.267 121.223 -0.089 0.000 2.079 229 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 229 L C 2.753 179.542 176.870 -0.134 0.000 1.081 229 L CA 1.370 56.145 54.840 -0.107 0.000 0.752 229 L CB -0.277 41.695 42.059 -0.146 0.000 0.896 229 L HN 0.212 nan 8.230 nan 0.000 0.433 230 R N -0.510 119.855 120.500 -0.225 0.000 2.075 230 R HA -0.166 4.174 4.340 -0.000 0.000 0.232 230 R C 2.124 178.341 176.300 -0.138 0.000 1.126 230 R CA 1.355 57.301 56.100 -0.257 0.000 0.963 230 R CB -0.114 29.877 30.300 -0.516 0.000 0.858 230 R HN 0.394 nan 8.270 nan 0.000 0.435 231 E N 0.965 121.103 120.200 -0.103 0.000 2.085 231 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 231 E C 1.757 178.338 176.600 -0.032 0.000 0.994 231 E CA 1.819 58.184 56.400 -0.058 0.000 0.801 231 E CB -0.126 29.552 29.700 -0.036 0.000 0.743 231 E HN 0.659 nan 8.360 nan 0.000 0.453 232 E N 0.260 120.443 120.200 -0.027 0.000 2.285 232 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 232 E C 2.136 178.739 176.600 0.005 0.000 0.997 232 E CA 0.390 56.785 56.400 -0.009 0.000 0.845 232 E CB -0.211 29.484 29.700 -0.007 0.000 0.782 232 E HN 0.223 nan 8.360 nan 0.000 0.491 233 L N 0.434 121.662 121.223 0.008 0.000 2.270 233 L HA 0.014 4.354 4.340 -0.000 0.000 0.210 233 L C 2.625 179.523 176.870 0.047 0.000 1.104 233 L CA 0.269 55.133 54.840 0.040 0.000 0.804 233 L CB -0.339 41.773 42.059 0.088 0.000 0.937 233 L HN 0.030 nan 8.230 nan 0.000 0.450 234 K N 0.937 121.351 120.400 0.024 0.000 2.052 234 K HA -0.210 4.109 4.320 -0.000 0.000 0.215 234 K C -0.210 176.441 176.600 0.085 0.000 1.053 234 K CA 2.093 58.402 56.287 0.036 0.000 0.934 234 K CB -1.340 31.156 32.500 -0.006 0.000 0.717 234 K HN 0.209 nan 8.250 nan 0.000 0.450 235 P HA -0.107 nan 4.420 nan 0.000 0.215 235 P C 1.544 178.916 177.300 0.121 0.000 1.153 235 P CA 1.238 64.412 63.100 0.122 0.000 0.853 235 P CB -0.075 31.671 31.700 0.076 0.000 0.788 236 I N -0.910 119.700 120.570 0.067 0.000 2.226 236 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 236 I C 2.322 178.463 176.117 0.041 0.000 1.100 236 I CA 1.342 62.659 61.300 0.029 0.000 1.374 236 I CB -0.976 37.026 38.000 0.002 0.000 1.057 236 I HN -0.074 nan 8.210 nan 0.000 0.413 237 A N 1.566 124.441 122.820 0.091 0.000 1.829 237 A HA -0.299 4.021 4.320 -0.000 0.000 0.216 237 A C 2.273 179.943 177.584 0.143 0.000 1.207 237 A CA 1.948 54.070 52.037 0.141 0.000 0.622 237 A CB -1.327 17.759 19.000 0.143 0.000 0.846 237 A HN 0.474 nan 8.150 nan 0.000 0.447 238 F N 1.169 121.141 119.950 0.036 0.000 2.202 238 F HA -0.079 4.448 4.527 -0.000 0.000 0.301 238 F C 2.317 178.133 175.800 0.027 0.000 1.082 238 F CA 1.270 59.287 58.000 0.029 0.000 1.313 238 F CB -0.308 38.700 39.000 0.014 0.000 1.024 238 F HN 0.236 nan 8.300 nan 0.000 0.495 239 A N 0.448 123.231 122.820 -0.061 0.000 2.076 239 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 239 A C 2.197 179.672 177.584 -0.181 0.000 1.160 239 A CA 1.502 53.443 52.037 -0.160 0.000 0.653 239 A CB -0.576 18.407 19.000 -0.029 0.000 0.801 239 A HN 0.524 nan 8.150 nan 0.000 0.455 240 R N -2.075 118.362 120.500 -0.104 0.000 2.397 240 R HA 0.257 4.597 4.340 -0.000 0.000 0.241 240 R C 0.929 177.231 176.300 0.004 0.000 0.914 240 R CA 0.553 56.629 56.100 -0.041 0.000 1.071 240 R CB 0.361 30.662 30.300 0.002 0.000 1.116 240 R HN 0.651 nan 8.270 nan 0.000 0.524 241 G N 1.201 109.944 108.800 -0.095 0.000 2.138 241 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.193 241 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.193 241 G C -0.215 174.685 174.900 0.000 0.000 0.998 241 G CA -0.563 44.488 45.100 -0.082 0.000 0.668 241 G HN 0.097 nan 8.290 nan 0.000 0.516 242 I N 0.473 121.076 120.570 0.055 0.000 2.569 242 I HA 0.367 4.536 4.170 -0.000 0.000 0.290 242 I C 0.124 176.301 176.117 0.100 0.000 1.088 242 I CA -1.428 59.911 61.300 0.065 0.000 1.047 242 I CB 1.750 39.781 38.000 0.051 0.000 1.237 242 I HN 0.018 nan 8.210 nan 0.000 0.421 243 K N 4.918 125.361 120.400 0.071 0.000 2.349 243 K HA 0.331 4.651 4.320 -0.000 0.000 0.288 243 K C -0.562 176.052 176.600 0.024 0.000 1.058 243 K CA -0.511 55.814 56.287 0.063 0.000 0.953 243 K CB 1.061 33.590 32.500 0.049 0.000 0.997 243 K HN 0.282 nan 8.250 nan 0.000 0.477 244 L N 3.648 124.884 121.223 0.022 0.000 2.264 244 L HA 0.155 4.495 4.340 -0.000 0.000 0.287 244 L C 0.165 176.999 176.870 -0.059 0.000 1.039 244 L CA 0.163 55.000 54.840 -0.005 0.000 0.829 244 L CB 0.770 42.851 42.059 0.037 0.000 1.211 244 L HN 0.725 nan 8.230 nan 0.000 0.427 245 S N 3.472 119.138 115.700 -0.057 0.000 2.623 245 S HA 0.395 4.865 4.470 -0.000 0.000 0.278 245 S C 0.982 175.490 174.600 -0.153 0.000 1.148 245 S CA -0.265 57.880 58.200 -0.092 0.000 1.028 245 S CB 0.235 63.457 63.200 0.037 0.000 1.145 245 S HN 0.441 nan 8.310 nan 0.000 0.523 246 F N 0.166 120.070 119.950 -0.077 0.000 2.512 246 F HA 0.143 4.670 4.527 -0.000 0.000 0.296 246 F C 2.490 177.912 175.800 -0.631 0.000 1.110 246 F CA 0.168 57.945 58.000 -0.371 0.000 1.446 246 F CB -0.363 38.242 39.000 -0.659 0.000 1.092 246 F HN 0.262 nan 8.300 nan 0.000 0.554 247 M N 0.376 119.929 119.600 -0.079 0.000 2.082 247 M HA -0.142 4.338 4.480 -0.000 0.000 0.258 247 M C -0.495 175.852 176.300 0.078 0.000 1.069 247 M CA 1.915 57.280 55.300 0.108 0.000 1.102 247 M CB -2.393 30.327 32.600 0.200 0.000 1.336 247 M HN -0.049 nan 8.290 nan 0.000 0.404 248 P HA -0.144 nan 4.420 nan 0.000 0.216 248 P C 1.472 178.635 177.300 -0.228 0.000 1.150 248 P CA 1.377 64.372 63.100 -0.174 0.000 0.843 248 P CB -0.311 31.175 31.700 -0.356 0.000 0.787 249 F N -2.322 117.586 119.950 -0.069 0.000 2.146 249 F HA -0.098 4.429 4.527 -0.000 0.000 0.298 249 F C 2.121 178.030 175.800 0.181 0.000 1.096 249 F CA 1.000 58.990 58.000 -0.017 0.000 1.275 249 F CB -1.296 37.642 39.000 -0.104 0.000 1.008 249 F HN -0.174 nan 8.300 nan 0.000 0.480 250 F N -0.282 119.920 119.950 0.421 0.000 2.134 250 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 250 F C 2.151 178.306 175.800 0.591 0.000 1.097 250 F CA 0.606 58.930 58.000 0.540 0.000 1.264 250 F CB -1.391 37.965 39.000 0.594 0.000 1.001 250 F HN -0.087 nan 8.300 nan 0.000 0.479 251 L N 0.168 121.733 121.223 0.571 0.000 1.994 251 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 251 L C 2.451 179.520 176.870 0.331 0.000 1.071 251 L CA 1.702 56.795 54.840 0.422 0.000 0.745 251 L CB -1.197 41.024 42.059 0.270 0.000 0.892 251 L HN 0.000 nan 8.230 nan 0.000 0.431 252 K N -0.498 120.028 120.400 0.210 0.000 2.057 252 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 252 K C 2.035 178.724 176.600 0.147 0.000 1.049 252 K CA 1.402 57.765 56.287 0.127 0.000 0.931 252 K CB -0.335 32.177 32.500 0.021 0.000 0.714 252 K HN 0.272 nan 8.250 nan 0.000 0.440 253 A N 0.560 123.512 122.820 0.221 0.000 1.902 253 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 253 A C 2.365 180.259 177.584 0.517 0.000 1.181 253 A CA 2.000 54.170 52.037 0.222 0.000 0.623 253 A CB -1.108 17.943 19.000 0.084 0.000 0.818 253 A HN 0.427 nan 8.150 nan 0.000 0.443 254 A N -0.768 122.489 122.820 0.729 0.000 1.883 254 A HA -0.159 4.160 4.320 -0.000 0.000 0.217 254 A C 2.495 180.232 177.584 0.254 0.000 1.186 254 A CA 2.345 54.717 52.037 0.558 0.000 0.624 254 A CB -1.097 18.211 19.000 0.514 0.000 0.822 254 A HN 0.564 nan 8.150 nan 0.000 0.444 255 S N -0.515 115.313 115.700 0.213 0.000 2.353 255 S HA -0.142 4.328 4.470 -0.000 0.000 0.222 255 S C 1.955 176.686 174.600 0.218 0.000 1.035 255 S CA 1.601 59.915 58.200 0.190 0.000 1.025 255 S CB -0.532 62.846 63.200 0.297 0.000 0.902 255 S HN 0.476 nan 8.310 nan 0.000 0.440 256 L N 0.819 122.144 121.223 0.170 0.000 2.043 256 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 256 L C 2.764 179.801 176.870 0.278 0.000 1.075 256 L CA 1.340 56.265 54.840 0.141 0.000 0.752 256 L CB -0.995 40.978 42.059 -0.144 0.000 0.891 256 L HN 0.504 nan 8.230 nan 0.000 0.432 257 G N -0.128 108.882 108.800 0.350 0.000 2.418 257 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 257 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 257 G C 1.597 176.787 174.900 0.483 0.000 1.158 257 G CA 0.565 45.928 45.100 0.439 0.000 0.771 257 G HN 0.258 nan 8.290 nan 0.000 0.545 258 L N 0.123 121.504 121.223 0.264 0.000 2.131 258 L HA -0.022 4.317 4.340 -0.000 0.000 0.210 258 L C 2.840 179.772 176.870 0.102 0.000 1.092 258 L CA 0.388 55.215 54.840 -0.022 0.000 0.759 258 L CB -0.400 41.292 42.059 -0.611 0.000 0.903 258 L HN 0.198 nan 8.230 nan 0.000 0.435 259 L N -0.903 120.450 121.223 0.218 0.000 2.079 259 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 259 L C 2.767 179.668 176.870 0.052 0.000 1.081 259 L CA 1.028 55.971 54.840 0.172 0.000 0.752 259 L CB -0.603 41.545 42.059 0.149 0.000 0.896 259 L HN 0.333 nan 8.230 nan 0.000 0.433 260 Q N -0.388 119.427 119.800 0.025 0.000 2.123 260 Q HA 0.000 4.340 4.340 -0.000 0.000 0.199 260 Q C 0.478 176.153 176.000 -0.543 0.000 0.966 260 Q CA 1.227 56.874 55.803 -0.260 0.000 0.845 260 Q CB 0.036 28.595 28.738 -0.298 0.000 0.907 260 Q HN 0.421 nan 8.270 nan 0.000 0.439 261 F N 1.315 121.314 119.950 0.081 0.000 2.438 261 F HA 0.275 4.802 4.527 -0.000 0.000 0.315 261 F C -1.542 174.248 175.800 -0.016 0.000 1.258 261 F CA -2.040 55.977 58.000 0.028 0.000 1.180 261 F CB 1.183 40.198 39.000 0.024 0.000 1.412 261 F HN -0.024 nan 8.300 nan 0.000 0.544 262 P HA -0.156 nan 4.420 nan 0.000 0.225 262 P C 1.912 179.330 177.300 0.197 0.000 1.148 262 P CA 1.139 64.328 63.100 0.150 0.000 0.779 262 P CB 0.536 32.339 31.700 0.171 0.000 0.780 263 I N -0.647 120.056 120.570 0.222 0.000 2.567 263 I HA -0.158 4.012 4.170 -0.000 0.000 0.257 263 I C 1.886 177.952 176.117 -0.085 0.000 1.184 263 I CA 0.832 62.169 61.300 0.062 0.000 1.451 263 I CB -0.129 37.942 38.000 0.117 0.000 1.089 263 I HN -0.158 nan 8.210 nan 0.000 0.441 264 L N 0.119 121.278 121.223 -0.107 0.000 2.552 264 L HA -0.062 4.278 4.340 -0.000 0.000 0.227 264 L C 0.866 177.662 176.870 -0.124 0.000 1.146 264 L CA 0.519 55.240 54.840 -0.198 0.000 0.858 264 L CB -0.481 41.297 42.059 -0.467 0.000 0.969 264 L HN 0.235 nan 8.230 nan 0.000 0.451 265 N N 0.310 118.944 118.700 -0.110 0.000 2.535 265 N HA 0.358 5.098 4.740 -0.000 0.000 0.294 265 N C -0.417 175.081 175.510 -0.020 0.000 1.408 265 N CA -0.076 52.940 53.050 -0.057 0.000 0.927 265 N CB 0.521 38.943 38.487 -0.110 0.000 1.276 265 N HN 0.155 nan 8.380 nan 0.000 0.505 266 A N -0.941 121.829 122.820 -0.084 0.000 2.437 266 A HA 0.881 5.201 4.320 -0.000 0.000 0.288 266 A C -0.491 177.019 177.584 -0.122 0.000 1.201 266 A CA -0.522 51.415 52.037 -0.167 0.000 0.795 266 A CB 1.381 20.129 19.000 -0.419 0.000 1.359 266 A HN 0.197 nan 8.150 nan 0.000 0.435 267 S N -1.905 113.715 115.700 -0.133 0.000 2.704 267 S HA 0.774 5.244 4.470 -0.000 0.000 0.296 267 S C -1.316 173.221 174.600 -0.104 0.000 1.138 267 S CA -0.427 57.718 58.200 -0.090 0.000 0.875 267 S CB 1.849 65.021 63.200 -0.047 0.000 1.151 267 S HN 0.883 nan 8.310 nan 0.000 0.500 268 V N 2.085 121.957 119.914 -0.071 0.000 2.925 268 V HA 0.418 4.538 4.120 -0.000 0.000 0.311 268 V C -1.018 175.054 176.094 -0.036 0.000 1.104 268 V CA -0.792 61.471 62.300 -0.062 0.000 0.954 268 V CB 2.290 34.074 31.823 -0.065 0.000 1.022 268 V HN 1.054 nan 8.190 nan 0.000 0.427 269 D N 2.396 122.780 120.400 -0.026 0.000 2.507 269 D HA 0.183 4.823 4.640 -0.000 0.000 0.280 269 D C 1.015 177.310 176.300 -0.009 0.000 1.219 269 D CA -0.340 53.652 54.000 -0.014 0.000 1.085 269 D CB 0.476 41.271 40.800 -0.008 0.000 1.134 269 D HN 0.333 nan 8.370 nan 0.000 0.583 270 E N -0.033 120.165 120.200 -0.004 0.000 2.021 270 E HA -0.212 4.138 4.350 -0.000 0.000 0.200 270 E C 1.438 178.037 176.600 -0.001 0.000 1.015 270 E CA 1.606 58.006 56.400 -0.001 0.000 0.824 270 E CB -0.573 29.128 29.700 0.002 0.000 0.762 270 E HN 0.555 nan 8.360 nan 0.000 0.454 271 N N -1.350 117.350 118.700 -0.001 0.000 2.412 271 N HA 0.012 4.751 4.740 -0.000 0.000 0.184 271 N C 0.050 175.559 175.510 -0.002 0.000 1.101 271 N CA 0.531 53.581 53.050 0.000 0.000 0.881 271 N CB 0.315 38.803 38.487 0.002 0.000 0.969 271 N HN 0.189 nan 8.380 nan 0.000 0.459 272 C N 1.024 120.320 119.300 -0.006 0.000 4.693 272 C HA -0.123 4.336 4.460 -0.000 0.000 0.311 272 C C 0.747 175.732 174.990 -0.008 0.000 1.174 272 C CA -0.015 58.996 59.018 -0.012 0.000 2.358 272 C CB -2.193 25.540 27.740 -0.011 0.000 1.184 272 C HN 0.511 nan 8.230 nan 0.000 0.736 273 Q N 0.010 119.806 119.800 -0.006 0.000 2.189 273 Q HA 0.235 4.575 4.340 -0.000 0.000 0.223 273 Q C 0.046 176.047 176.000 0.001 0.000 0.828 273 Q CA 0.366 56.169 55.803 -0.001 0.000 0.967 273 Q CB 0.420 29.159 28.738 0.002 0.000 1.139 273 Q HN 0.924 nan 8.270 nan 0.000 0.497 274 N N 0.257 118.954 118.700 -0.006 0.000 2.367 274 N HA 0.434 5.174 4.740 -0.000 0.000 0.278 274 N C -1.456 174.037 175.510 -0.029 0.000 1.117 274 N CA -0.513 52.536 53.050 -0.003 0.000 0.867 274 N CB 2.052 40.542 38.487 0.007 0.000 1.649 274 N HN -0.075 nan 8.380 nan 0.000 0.479 275 I N 0.932 121.478 120.570 -0.040 0.000 2.359 275 I HA 0.364 4.534 4.170 -0.000 0.000 0.294 275 I C -0.278 175.777 176.117 -0.105 0.000 0.987 275 I CA -0.530 60.686 61.300 -0.139 0.000 1.225 275 I CB 1.716 39.556 38.000 -0.266 0.000 1.366 275 I HN 0.436 nan 8.210 nan 0.000 0.466 276 T N 5.440 119.918 114.554 -0.127 0.000 2.770 276 T HA 0.371 4.721 4.350 -0.000 0.000 0.297 276 T C -0.489 174.146 174.700 -0.109 0.000 0.997 276 T CA -0.360 61.714 62.100 -0.042 0.000 0.949 276 T CB -0.064 68.800 68.868 -0.006 0.000 0.941 276 T HN 0.133 nan 8.240 nan 0.000 0.457 277 Y N 2.955 123.261 120.300 0.010 0.000 2.442 277 Y HA 0.229 4.779 4.550 -0.000 0.000 0.330 277 Y C 1.217 177.132 175.900 0.024 0.000 1.129 277 Y CA -0.217 57.891 58.100 0.014 0.000 1.365 277 Y CB 0.555 39.022 38.460 0.011 0.000 1.233 277 Y HN 0.216 nan 8.280 nan 0.000 0.529 278 K N 2.864 123.351 120.400 0.144 0.000 2.235 278 K HA 0.506 4.826 4.320 -0.000 0.000 0.266 278 K C 0.467 177.150 176.600 0.138 0.000 0.980 278 K CA -0.287 56.068 56.287 0.114 0.000 0.849 278 K CB 1.988 34.539 32.500 0.085 0.000 1.098 278 K HN 0.785 nan 8.250 nan 0.000 0.445 279 A N 3.021 125.901 122.820 0.100 0.000 1.851 279 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 279 A C 0.869 178.483 177.584 0.050 0.000 1.195 279 A CA 1.248 53.324 52.037 0.064 0.000 0.622 279 A CB -0.222 18.794 19.000 0.026 0.000 0.831 279 A HN 0.650 nan 8.150 nan 0.000 0.444 280 S N 0.206 115.938 115.700 0.054 0.000 2.562 280 S HA 0.222 4.692 4.470 -0.000 0.000 0.281 280 S C -0.300 174.414 174.600 0.190 0.000 1.333 280 S CA -0.161 58.064 58.200 0.043 0.000 1.052 280 S CB -0.078 63.150 63.200 0.046 0.000 0.884 280 S HN 0.538 nan 8.310 nan 0.000 0.506 281 H N 2.708 121.800 119.070 0.037 0.000 2.818 281 H HA 0.210 4.766 4.556 -0.000 0.000 0.269 281 H C -0.463 174.906 175.328 0.068 0.000 1.277 281 H CA -0.769 55.306 56.048 0.045 0.000 1.290 281 H CB 0.089 29.870 29.762 0.031 0.000 1.479 281 H HN 0.382 nan 8.280 nan 0.000 0.507 282 N N 4.690 123.507 118.700 0.195 0.000 2.589 282 N HA 0.187 4.927 4.740 -0.000 0.000 0.232 282 N C -0.372 175.240 175.510 0.170 0.000 1.015 282 N CA -0.212 52.927 53.050 0.147 0.000 0.931 282 N CB 1.203 39.754 38.487 0.105 0.000 1.150 282 N HN 0.518 nan 8.380 nan 0.000 0.512 283 I N 0.850 121.534 120.570 0.189 0.000 2.304 283 I HA 0.257 4.426 4.170 -0.000 0.000 0.291 283 I C 1.275 177.500 176.117 0.180 0.000 1.018 283 I CA -0.770 60.675 61.300 0.242 0.000 1.260 283 I CB 0.999 39.180 38.000 0.301 0.000 1.390 283 I HN 0.288 nan 8.210 nan 0.000 0.475 284 G N 7.350 116.238 108.800 0.147 0.000 2.483 284 G HA2 0.426 4.386 3.960 -0.000 0.000 0.248 284 G HA3 0.426 4.386 3.960 -0.000 0.000 0.248 284 G C -0.249 174.707 174.900 0.094 0.000 1.248 284 G CA -0.388 44.768 45.100 0.093 0.000 0.838 284 G HN 0.430 nan 8.290 nan 0.000 0.566 285 I N 1.699 122.317 120.570 0.079 0.000 2.390 285 I HA 0.325 4.494 4.170 -0.000 0.000 0.283 285 I C 0.688 176.836 176.117 0.052 0.000 1.016 285 I CA -1.385 59.963 61.300 0.079 0.000 1.151 285 I CB 0.672 38.722 38.000 0.083 0.000 1.293 285 I HN 0.521 nan 8.210 nan 0.000 0.458 286 A N 9.072 131.915 122.820 0.038 0.000 2.451 286 A HA 0.623 4.942 4.320 -0.000 0.000 0.266 286 A C 0.307 177.908 177.584 0.028 0.000 1.119 286 A CA -0.115 51.936 52.037 0.023 0.000 0.786 286 A CB 0.180 19.183 19.000 0.006 0.000 1.061 286 A HN 0.798 nan 8.150 nan 0.000 0.503 287 M N 1.110 120.726 119.600 0.026 0.000 2.658 287 M HA 0.683 5.162 4.480 -0.000 0.000 0.295 287 M C -1.677 174.634 176.300 0.019 0.000 1.248 287 M CA -0.933 54.381 55.300 0.024 0.000 0.843 287 M CB 2.049 34.664 32.600 0.025 0.000 1.749 287 M HN 0.322 nan 8.290 nan 0.000 0.464 288 D N 2.183 122.593 120.400 0.017 0.000 2.391 288 D HA 0.509 5.148 4.640 -0.000 0.000 0.245 288 D C -0.409 175.895 176.300 0.006 0.000 1.069 288 D CA 0.137 54.148 54.000 0.018 0.000 0.831 288 D CB 2.325 43.138 40.800 0.022 0.000 1.204 288 D HN 0.802 nan 8.370 nan 0.000 0.503 289 T N -1.798 112.751 114.554 -0.007 0.000 2.893 289 T HA 0.243 4.593 4.350 -0.000 0.000 0.279 289 T C 1.276 175.955 174.700 -0.036 0.000 0.991 289 T CA -0.657 61.422 62.100 -0.035 0.000 0.950 289 T CB 1.105 69.929 68.868 -0.074 0.000 1.223 289 T HN 0.307 nan 8.240 nan 0.000 0.585 290 E N -0.008 120.153 120.200 -0.064 0.000 2.333 290 E HA -0.234 4.116 4.350 -0.000 0.000 0.200 290 E C 1.452 177.977 176.600 -0.125 0.000 1.010 290 E CA 1.093 57.457 56.400 -0.060 0.000 0.841 290 E CB -0.329 29.330 29.700 -0.069 0.000 0.757 290 E HN 0.677 nan 8.360 nan 0.000 0.508 291 Q N 0.406 120.049 119.800 -0.261 0.000 2.246 291 Q HA 0.211 4.551 4.340 -0.000 0.000 0.202 291 Q C 0.528 176.501 176.000 -0.045 0.000 0.883 291 Q CA 0.153 55.659 55.803 -0.495 0.000 0.952 291 Q CB 1.035 29.277 28.738 -0.827 0.000 1.078 291 Q HN 0.378 nan 8.270 nan 0.000 0.493 292 G N 1.098 109.964 108.800 0.111 0.000 2.527 292 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.227 292 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.227 292 G C -0.891 174.062 174.900 0.089 0.000 1.291 292 G CA -0.555 44.652 45.100 0.179 0.000 0.904 292 G HN 0.227 nan 8.290 nan 0.000 0.577 293 L N 0.791 122.073 121.223 0.099 0.000 2.462 293 L HA 0.750 5.090 4.340 -0.000 0.000 0.272 293 L C 0.285 177.182 176.870 0.044 0.000 1.166 293 L CA 0.233 55.108 54.840 0.058 0.000 0.880 293 L CB 0.439 42.532 42.059 0.056 0.000 1.142 293 L HN 0.750 nan 8.230 nan 0.000 0.473 294 I N 5.026 125.612 120.570 0.027 0.000 2.571 294 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 294 I C -1.270 174.860 176.117 0.021 0.000 1.115 294 I CA -0.627 60.685 61.300 0.020 0.000 1.045 294 I CB 1.969 39.972 38.000 0.005 0.000 1.238 294 I HN 0.302 nan 8.210 nan 0.000 0.424 295 V N 8.582 128.510 119.914 0.024 0.000 2.266 295 V HA 0.365 4.484 4.120 -0.000 0.000 0.266 295 V C -2.164 173.948 176.094 0.031 0.000 1.036 295 V CA -1.172 61.144 62.300 0.027 0.000 0.828 295 V CB 0.450 32.288 31.823 0.025 0.000 1.081 295 V HN 0.556 nan 8.190 nan 0.000 0.449 296 P HA 0.337 nan 4.420 nan 0.000 0.276 296 P C -0.947 176.380 177.300 0.046 0.000 1.252 296 P CA -0.309 62.811 63.100 0.032 0.000 0.802 296 P CB 1.297 33.013 31.700 0.026 0.000 1.035 297 N N -1.378 117.352 118.700 0.049 0.000 2.240 297 N HA 0.369 5.109 4.740 -0.000 0.000 0.302 297 N C -1.073 174.474 175.510 0.061 0.000 1.106 297 N CA -1.022 52.068 53.050 0.067 0.000 0.778 297 N CB 1.169 39.703 38.487 0.079 0.000 1.431 297 N HN -0.035 nan 8.380 nan 0.000 0.479 298 V N 1.729 121.687 119.914 0.074 0.000 2.479 298 V HA 0.117 4.237 4.120 -0.000 0.000 0.281 298 V C 0.463 176.599 176.094 0.070 0.000 1.031 298 V CA -0.366 61.971 62.300 0.062 0.000 1.038 298 V CB 0.102 31.964 31.823 0.066 0.000 0.981 298 V HN 0.608 nan 8.190 nan 0.000 0.478 299 K N 4.285 124.715 120.400 0.049 0.000 2.298 299 K HA 0.176 4.495 4.320 -0.000 0.000 0.280 299 K C 0.539 177.167 176.600 0.047 0.000 1.032 299 K CA -0.161 56.155 56.287 0.049 0.000 0.958 299 K CB 0.210 32.728 32.500 0.031 0.000 0.978 299 K HN 0.712 nan 8.250 nan 0.000 0.472 300 N N 1.199 119.931 118.700 0.054 0.000 2.714 300 N HA -0.160 4.579 4.740 -0.000 0.000 0.253 300 N C 0.791 176.318 175.510 0.028 0.000 1.024 300 N CA 0.419 53.483 53.050 0.023 0.000 0.726 300 N CB -1.329 37.159 38.487 0.001 0.000 0.908 300 N HN 0.324 nan 8.380 nan 0.000 0.542 301 V N 0.468 120.433 119.914 0.085 0.000 2.469 301 V HA -0.296 3.823 4.120 -0.000 0.000 0.251 301 V C 2.572 178.702 176.094 0.061 0.000 1.064 301 V CA 2.336 64.693 62.300 0.095 0.000 1.066 301 V CB -0.195 31.728 31.823 0.167 0.000 0.667 301 V HN 0.604 nan 8.190 nan 0.000 0.461 302 Q N 1.598 121.401 119.800 0.005 0.000 2.291 302 Q HA -0.155 4.185 4.340 -0.000 0.000 0.206 302 Q C 1.716 177.687 176.000 -0.049 0.000 0.976 302 Q CA 2.168 57.935 55.803 -0.060 0.000 0.875 302 Q CB -0.621 27.900 28.738 -0.361 0.000 0.927 302 Q HN 0.830 nan 8.270 nan 0.000 0.450 303 I N -2.796 117.749 120.570 -0.041 0.000 3.889 303 I HA 0.428 4.598 4.170 -0.000 0.000 0.332 303 I C 0.001 176.114 176.117 -0.007 0.000 1.493 303 I CA -0.697 60.588 61.300 -0.026 0.000 1.158 303 I CB 0.371 38.354 38.000 -0.029 0.000 1.117 303 I HN -0.151 nan 8.210 nan 0.000 0.411 304 R N 1.022 121.522 120.500 0.001 0.000 2.807 304 R HA 0.570 4.910 4.340 -0.000 0.000 0.276 304 R C -0.274 176.028 176.300 0.004 0.000 0.979 304 R CA -0.580 55.522 56.100 0.004 0.000 0.928 304 R CB 2.376 32.676 30.300 -0.000 0.000 1.191 304 R HN 0.422 nan 8.270 nan 0.000 0.471 305 S N 0.777 116.485 115.700 0.013 0.000 2.672 305 S HA 0.285 4.755 4.470 -0.000 0.000 0.276 305 S C 1.467 176.057 174.600 -0.017 0.000 1.207 305 S CA -0.778 57.431 58.200 0.015 0.000 1.002 305 S CB 0.856 64.093 63.200 0.061 0.000 0.998 305 S HN 0.631 nan 8.310 nan 0.000 0.542 306 I N 0.249 120.785 120.570 -0.058 0.000 2.118 306 I HA -0.192 3.978 4.170 -0.000 0.000 0.241 306 I C 2.255 178.300 176.117 -0.120 0.000 1.070 306 I CA 1.979 63.173 61.300 -0.176 0.000 1.327 306 I CB -0.381 37.418 38.000 -0.335 0.000 1.034 306 I HN 0.799 nan 8.210 nan 0.000 0.405 307 F N 1.760 121.622 119.950 -0.147 0.000 2.126 307 F HA -0.260 4.266 4.527 -0.000 0.000 0.299 307 F C 2.370 178.124 175.800 -0.078 0.000 1.096 307 F CA 1.911 59.849 58.000 -0.105 0.000 1.255 307 F CB -0.348 38.610 39.000 -0.070 0.000 0.997 307 F HN 0.090 nan 8.300 nan 0.000 0.479 308 E N 0.444 120.555 120.200 -0.149 0.000 2.072 308 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 308 E C 2.343 178.808 176.600 -0.226 0.000 0.985 308 E CA 1.693 57.957 56.400 -0.226 0.000 0.801 308 E CB -0.252 29.423 29.700 -0.042 0.000 0.750 308 E HN 0.501 nan 8.360 nan 0.000 0.452 309 I N 1.172 121.648 120.570 -0.156 0.000 2.142 309 I HA -0.274 3.896 4.170 -0.000 0.000 0.240 309 I C 2.613 178.637 176.117 -0.155 0.000 1.078 309 I CA 0.954 62.185 61.300 -0.116 0.000 1.343 309 I CB -0.400 37.552 38.000 -0.080 0.000 1.046 309 I HN 0.077 nan 8.210 nan 0.000 0.405 310 A N 0.505 123.197 122.820 -0.213 0.000 1.892 310 A HA -0.276 4.043 4.320 -0.000 0.000 0.218 310 A C 2.393 179.836 177.584 -0.234 0.000 1.188 310 A CA 2.812 54.726 52.037 -0.205 0.000 0.631 310 A CB -1.311 17.563 19.000 -0.210 0.000 0.822 310 A HN 0.415 nan 8.150 nan 0.000 0.447 311 T N -0.559 113.759 114.554 -0.392 0.000 2.635 311 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 311 T C 1.912 176.495 174.700 -0.194 0.000 1.040 311 T CA 1.960 63.839 62.100 -0.368 0.000 1.156 311 T CB -0.302 68.231 68.868 -0.558 0.000 0.863 311 T HN 0.746 nan 8.240 nan 0.000 0.430 312 E N 0.786 120.890 120.200 -0.160 0.000 2.204 312 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 312 E C 2.041 178.608 176.600 -0.055 0.000 0.990 312 E CA 0.826 57.173 56.400 -0.088 0.000 0.821 312 E CB -0.534 29.126 29.700 -0.066 0.000 0.750 312 E HN 0.457 nan 8.360 nan 0.000 0.477 313 L N 0.318 121.507 121.223 -0.057 0.000 2.027 313 L HA -0.170 4.169 4.340 -0.000 0.000 0.206 313 L C 2.042 178.899 176.870 -0.022 0.000 1.074 313 L CA 1.326 56.152 54.840 -0.023 0.000 0.745 313 L CB -0.568 41.483 42.059 -0.014 0.000 0.898 313 L HN 0.222 nan 8.230 nan 0.000 0.433 314 N N -0.024 118.651 118.700 -0.042 0.000 2.104 314 N HA -0.216 4.524 4.740 -0.000 0.000 0.190 314 N C 1.846 177.341 175.510 -0.025 0.000 1.024 314 N CA 1.190 54.221 53.050 -0.031 0.000 0.853 314 N CB -0.301 38.159 38.487 -0.046 0.000 1.008 314 N HN 0.220 nan 8.380 nan 0.000 0.424 315 R N 0.491 120.969 120.500 -0.036 0.000 2.066 315 R HA 0.031 4.371 4.340 -0.000 0.000 0.232 315 R C 2.109 178.401 176.300 -0.014 0.000 1.131 315 R CA 0.857 56.941 56.100 -0.027 0.000 0.955 315 R CB -0.267 30.013 30.300 -0.034 0.000 0.851 315 R HN 0.179 nan 8.270 nan 0.000 0.432 316 L N 0.546 121.762 121.223 -0.011 0.000 2.083 316 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 316 L C 2.879 179.750 176.870 0.003 0.000 1.083 316 L CA 1.260 56.099 54.840 -0.000 0.000 0.752 316 L CB -0.492 41.572 42.059 0.008 0.000 0.899 316 L HN 0.325 nan 8.230 nan 0.000 0.433 317 Q N 0.272 120.074 119.800 0.004 0.000 1.993 317 Q HA -0.261 4.078 4.340 -0.000 0.000 0.202 317 Q C 2.264 178.265 176.000 0.002 0.000 0.984 317 Q CA 1.752 57.559 55.803 0.008 0.000 0.837 317 Q CB -0.000 28.745 28.738 0.012 0.000 0.902 317 Q HN 0.216 nan 8.270 nan 0.000 0.423 318 K N 0.331 120.730 120.400 -0.000 0.000 2.015 318 K HA -0.204 4.115 4.320 -0.000 0.000 0.216 318 K C 2.102 178.699 176.600 -0.005 0.000 1.052 318 K CA 1.298 57.583 56.287 -0.002 0.000 0.937 318 K CB -0.627 31.871 32.500 -0.004 0.000 0.719 318 K HN 0.050 nan 8.250 nan 0.000 0.446 319 L N -0.059 121.160 121.223 -0.006 0.000 1.970 319 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 319 L C 2.347 179.211 176.870 -0.010 0.000 1.071 319 L CA 2.454 57.289 54.840 -0.008 0.000 0.751 319 L CB -1.512 40.543 42.059 -0.006 0.000 0.889 319 L HN 0.460 nan 8.230 nan 0.000 0.432 320 G N -1.252 107.543 108.800 -0.008 0.000 2.529 320 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.219 320 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.219 320 G C 1.308 176.197 174.900 -0.019 0.000 1.177 320 G CA 1.224 46.317 45.100 -0.011 0.000 0.773 320 G HN 0.533 nan 8.290 nan 0.000 0.573 321 S N -0.191 115.501 115.700 -0.014 0.000 2.967 321 S HA 0.607 5.077 4.470 -0.000 0.000 0.254 321 S C 0.918 175.506 174.600 -0.020 0.000 1.089 321 S CA 0.622 58.812 58.200 -0.017 0.000 1.183 321 S CB 0.291 63.486 63.200 -0.008 0.000 0.848 321 S HN 0.948 nan 8.310 nan 0.000 0.477 322 A N -0.294 122.512 122.820 -0.025 0.000 2.716 322 A HA 0.680 5.000 4.320 -0.000 0.000 0.252 322 A C 1.175 178.739 177.584 -0.033 0.000 1.144 322 A CA 0.036 52.057 52.037 -0.026 0.000 0.995 322 A CB -0.389 18.601 19.000 -0.016 0.000 1.252 322 A HN 1.566 nan 8.150 nan 0.000 0.593 323 G N 0.261 109.037 108.800 -0.041 0.000 2.246 323 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.273 323 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.273 323 G C 0.104 174.986 174.900 -0.031 0.000 1.055 323 G CA 0.624 45.696 45.100 -0.047 0.000 0.851 323 G HN 0.629 nan 8.290 nan 0.000 0.500 324 Q N -0.850 118.937 119.800 -0.022 0.000 2.158 324 Q HA 0.411 4.751 4.340 -0.000 0.000 0.306 324 Q C 0.631 176.626 176.000 -0.009 0.000 0.878 324 Q CA -0.311 55.483 55.803 -0.014 0.000 1.136 324 Q CB 0.858 29.589 28.738 -0.012 0.000 1.253 324 Q HN 0.559 nan 8.270 nan 0.000 0.441 325 L N 1.403 122.621 121.223 -0.009 0.000 2.395 325 L HA 0.275 4.615 4.340 -0.000 0.000 0.269 325 L C 0.777 177.647 176.870 -0.001 0.000 1.133 325 L CA -0.298 54.540 54.840 -0.003 0.000 0.812 325 L CB 1.125 43.183 42.059 -0.001 0.000 1.125 325 L HN 0.172 nan 8.230 nan 0.000 0.452 326 S N -0.100 115.601 115.700 0.002 0.000 2.652 326 S HA 0.217 4.687 4.470 -0.000 0.000 0.270 326 S C 1.092 175.697 174.600 0.008 0.000 1.243 326 S CA -0.403 57.799 58.200 0.004 0.000 0.999 326 S CB 1.436 64.638 63.200 0.004 0.000 0.973 326 S HN 0.682 nan 8.310 nan 0.000 0.544 327 T N 2.095 116.654 114.554 0.008 0.000 2.624 327 T HA -0.280 4.070 4.350 -0.000 0.000 0.266 327 T C 1.699 176.407 174.700 0.013 0.000 1.050 327 T CA 2.454 64.561 62.100 0.011 0.000 1.163 327 T CB -1.085 67.790 68.868 0.011 0.000 0.861 327 T HN 0.821 nan 8.240 nan 0.000 0.443 328 N N 1.174 119.881 118.700 0.012 0.000 2.069 328 N HA -0.139 4.600 4.740 -0.000 0.000 0.191 328 N C 1.439 176.959 175.510 0.017 0.000 1.031 328 N CA 1.544 54.603 53.050 0.014 0.000 0.852 328 N CB -0.326 38.168 38.487 0.012 0.000 1.018 328 N HN 0.289 nan 8.380 nan 0.000 0.423 329 D N -0.525 119.884 120.400 0.015 0.000 2.311 329 D HA -0.119 4.521 4.640 -0.000 0.000 0.212 329 D C 1.243 177.556 176.300 0.022 0.000 0.972 329 D CA 0.604 54.615 54.000 0.017 0.000 0.887 329 D CB 0.106 40.913 40.800 0.012 0.000 0.915 329 D HN 0.310 nan 8.370 nan 0.000 0.497 330 L N 0.048 121.283 121.223 0.021 0.000 2.537 330 L HA 0.201 4.541 4.340 -0.000 0.000 0.224 330 L C 0.682 177.568 176.870 0.026 0.000 1.065 330 L CA 0.209 55.062 54.840 0.023 0.000 0.860 330 L CB 0.089 42.159 42.059 0.018 0.000 1.086 330 L HN -0.078 nan 8.230 nan 0.000 0.482 331 I N -2.971 117.614 120.570 0.025 0.000 2.934 331 I HA 0.671 4.841 4.170 -0.000 0.000 0.315 331 I C 1.354 177.491 176.117 0.033 0.000 0.997 331 I CA 0.118 61.434 61.300 0.027 0.000 1.184 331 I CB 0.481 38.495 38.000 0.023 0.000 1.400 331 I HN 0.184 nan 8.210 nan 0.000 0.549 332 G N 1.643 110.463 108.800 0.034 0.000 2.179 332 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.260 332 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.260 332 G C 0.622 175.554 174.900 0.055 0.000 0.977 332 G CA -0.093 45.031 45.100 0.041 0.000 0.641 332 G HN 1.368 nan 8.290 nan 0.000 0.533 333 G N -0.300 108.533 108.800 0.057 0.000 2.474 333 G HA2 0.473 4.432 3.960 -0.000 0.000 0.233 333 G HA3 0.473 4.432 3.960 -0.000 0.000 0.233 333 G C 1.081 176.031 174.900 0.083 0.000 1.278 333 G CA 1.224 46.368 45.100 0.074 0.000 0.861 333 G HN 1.406 nan 8.290 nan 0.000 0.567 334 T N -1.654 112.974 114.554 0.122 0.000 2.975 334 T HA 0.425 4.774 4.350 -0.000 0.000 0.261 334 T C -0.040 174.778 174.700 0.197 0.000 0.984 334 T CA -0.104 62.071 62.100 0.126 0.000 0.911 334 T CB 0.192 69.136 68.868 0.128 0.000 1.127 334 T HN 0.645 nan 8.240 nan 0.000 0.514 335 F N 0.804 120.753 119.950 -0.002 0.000 2.725 335 F HA 0.507 5.033 4.527 -0.000 0.000 0.311 335 F C -1.983 173.835 175.800 0.030 0.000 1.121 335 F CA -0.403 57.588 58.000 -0.015 0.000 0.978 335 F CB 1.461 40.436 39.000 -0.042 0.000 1.274 335 F HN -0.035 nan 8.300 nan 0.000 0.440 336 T N 5.376 119.698 114.554 -0.386 0.000 2.912 336 T HA 0.706 5.056 4.350 -0.000 0.000 0.299 336 T C -1.147 173.408 174.700 -0.242 0.000 1.052 336 T CA -0.619 61.373 62.100 -0.181 0.000 0.996 336 T CB 1.792 70.573 68.868 -0.143 0.000 1.070 336 T HN 0.530 nan 8.240 nan 0.000 0.465 337 L N 1.648 122.866 121.223 -0.008 0.000 2.333 337 L HA 0.814 5.154 4.340 -0.000 0.000 0.269 337 L C 0.008 176.882 176.870 0.005 0.000 1.010 337 L CA -0.917 53.929 54.840 0.010 0.000 0.818 337 L CB 2.070 44.229 42.059 0.166 0.000 1.306 337 L HN 0.594 nan 8.230 nan 0.000 0.430 338 S N 1.337 117.014 115.700 -0.037 0.000 2.779 338 S HA 0.309 4.779 4.470 -0.000 0.000 0.293 338 S C -0.800 173.788 174.600 -0.020 0.000 1.150 338 S CA -0.657 57.530 58.200 -0.021 0.000 1.057 338 S CB 0.749 63.920 63.200 -0.049 0.000 1.021 338 S HN 0.606 nan 8.310 nan 0.000 0.485 339 N N 5.286 124.007 118.700 0.035 0.000 3.234 339 N HA 0.212 4.952 4.740 -0.000 0.000 0.272 339 N C 1.314 176.844 175.510 0.034 0.000 1.254 339 N CA -0.668 52.417 53.050 0.059 0.000 1.087 339 N CB -0.224 38.360 38.487 0.162 0.000 1.356 339 N HN 0.820 nan 8.380 nan 0.000 0.511 340 I N -1.531 119.033 120.570 -0.009 0.000 2.454 340 I HA 0.072 4.242 4.170 -0.000 0.000 0.254 340 I C 1.632 177.740 176.117 -0.015 0.000 1.156 340 I CA 1.007 62.297 61.300 -0.017 0.000 1.433 340 I CB -0.311 37.664 38.000 -0.041 0.000 1.082 340 I HN 0.254 nan 8.210 nan 0.000 0.432 341 G N 1.542 110.331 108.800 -0.020 0.000 2.498 341 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 341 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 341 G C 1.682 176.588 174.900 0.009 0.000 1.119 341 G CA 0.838 45.924 45.100 -0.024 0.000 0.766 341 G HN 0.637 nan 8.290 nan 0.000 0.552 342 S N -0.464 115.260 115.700 0.040 0.000 2.555 342 S HA 0.148 4.617 4.470 -0.000 0.000 0.230 342 S C 1.883 176.500 174.600 0.029 0.000 0.978 342 S CA 0.598 58.830 58.200 0.053 0.000 0.934 342 S CB -0.077 63.167 63.200 0.073 0.000 0.766 342 S HN 0.396 nan 8.310 nan 0.000 0.533 343 I N 0.014 120.592 120.570 0.012 0.000 3.570 343 I HA 0.451 4.620 4.170 -0.000 0.000 0.270 343 I C 1.323 177.434 176.117 -0.009 0.000 1.162 343 I CA 0.412 61.714 61.300 0.003 0.000 1.413 343 I CB 0.644 38.645 38.000 0.001 0.000 1.437 343 I HN 0.490 nan 8.210 nan 0.000 0.457 344 G N -0.447 108.341 108.800 -0.020 0.000 2.428 344 G HA2 0.503 4.462 3.960 -0.000 0.000 0.304 344 G HA3 0.503 4.462 3.960 -0.000 0.000 0.304 344 G C -0.926 173.943 174.900 -0.052 0.000 1.303 344 G CA -0.056 45.023 45.100 -0.035 0.000 0.825 344 G HN 0.583 nan 8.290 nan 0.000 0.484 345 G N -2.377 106.385 108.800 -0.064 0.000 2.629 345 G HA2 0.468 4.428 3.960 -0.000 0.000 0.686 345 G HA3 0.468 4.428 3.960 -0.000 0.000 0.686 345 G C 0.372 175.193 174.900 -0.132 0.000 1.232 345 G CA 0.609 45.659 45.100 -0.082 0.000 0.803 345 G HN 2.090 nan 8.290 nan 0.000 0.638 346 T N -1.799 112.655 114.554 -0.166 0.000 3.556 346 T HA 0.504 4.854 4.350 -0.000 0.000 0.204 346 T C 0.932 175.422 174.700 -0.350 0.000 0.896 346 T CA 0.696 62.605 62.100 -0.318 0.000 1.380 346 T CB 0.158 68.798 68.868 -0.380 0.000 1.584 346 T HN 0.772 nan 8.240 nan 0.000 0.411 347 Y N 2.079 122.321 120.300 -0.098 0.000 2.326 347 Y HA 0.738 5.287 4.550 -0.000 0.000 0.324 347 Y C 0.698 176.532 175.900 -0.110 0.000 1.291 347 Y CA -0.484 57.547 58.100 -0.116 0.000 1.348 347 Y CB 0.786 39.180 38.460 -0.110 0.000 1.294 347 Y HN 0.842 nan 8.280 nan 0.000 0.525 348 A N 1.270 124.133 122.820 0.072 0.000 2.568 348 A HA 0.696 5.016 4.320 -0.000 0.000 0.291 348 A C -1.431 176.134 177.584 -0.032 0.000 1.159 348 A CA -0.941 51.091 52.037 -0.008 0.000 0.679 348 A CB 2.002 20.974 19.000 -0.047 0.000 1.285 348 A HN 0.494 nan 8.150 nan 0.000 0.428 349 K N 1.747 122.120 120.400 -0.045 0.000 2.646 349 K HA 0.374 4.694 4.320 -0.000 0.000 0.210 349 K C -2.776 173.796 176.600 -0.047 0.000 1.020 349 K CA -1.379 54.878 56.287 -0.050 0.000 1.040 349 K CB 0.954 33.417 32.500 -0.062 0.000 1.253 349 K HN 0.625 nan 8.250 nan 0.000 0.532 350 P HA 0.200 nan 4.420 nan 0.000 0.276 350 P C -0.455 176.858 177.300 0.021 0.000 1.244 350 P CA -0.576 62.508 63.100 -0.026 0.000 0.801 350 P CB 1.205 32.877 31.700 -0.046 0.000 1.006 351 V N 3.250 123.175 119.914 0.018 0.000 2.350 351 V HA 0.195 4.315 4.120 -0.000 0.000 0.276 351 V C 0.863 177.058 176.094 0.168 0.000 1.028 351 V CA -0.698 61.644 62.300 0.071 0.000 0.860 351 V CB 0.522 32.334 31.823 -0.018 0.000 0.990 351 V HN 0.410 nan 8.190 nan 0.000 0.453 352 I N 5.349 126.133 120.570 0.357 0.000 2.815 352 I HA -0.032 4.138 4.170 -0.000 0.000 0.291 352 I C -0.091 176.070 176.117 0.073 0.000 1.209 352 I CA 0.127 61.484 61.300 0.094 0.000 1.431 352 I CB 0.228 38.169 38.000 -0.098 0.000 1.351 352 I HN 0.302 nan 8.210 nan 0.000 0.585 353 L N 9.052 130.281 121.223 0.010 0.000 2.287 353 L HA 0.374 4.714 4.340 -0.000 0.000 0.280 353 L C -1.943 174.929 176.870 0.003 0.000 1.055 353 L CA -2.280 52.567 54.840 0.011 0.000 0.863 353 L CB -0.120 41.938 42.059 -0.003 0.000 1.245 353 L HN 0.329 nan 8.230 nan 0.000 0.432 354 P HA 0.154 nan 4.420 nan 0.000 0.269 354 P C -2.075 175.228 177.300 0.005 0.000 1.209 354 P CA -0.960 62.142 63.100 0.003 0.000 0.776 354 P CB 0.170 31.877 31.700 0.012 0.000 0.876 355 P HA 0.106 nan 4.420 nan 0.000 0.249 355 P C 0.186 177.474 177.300 -0.020 0.000 1.229 355 P CA 0.327 63.422 63.100 -0.009 0.000 0.788 355 P CB 0.417 32.113 31.700 -0.006 0.000 1.072 356 E N 0.034 120.224 120.200 -0.017 0.000 2.435 356 E HA 0.099 4.449 4.350 -0.000 0.000 0.256 356 E C 1.090 177.657 176.600 -0.055 0.000 1.245 356 E CA -0.011 56.374 56.400 -0.025 0.000 0.989 356 E CB 0.751 30.440 29.700 -0.019 0.000 0.983 356 E HN -0.057 nan 8.360 nan 0.000 0.480 357 V N -3.155 116.720 119.914 -0.065 0.000 3.548 357 V HA 0.572 4.692 4.120 -0.000 0.000 0.279 357 V C 0.176 176.202 176.094 -0.114 0.000 1.446 357 V CA 0.287 62.528 62.300 -0.098 0.000 1.023 357 V CB 0.283 32.044 31.823 -0.103 0.000 0.820 357 V HN 0.544 nan 8.190 nan 0.000 0.438 358 A N 0.177 122.929 122.820 -0.113 0.000 2.556 358 A HA 0.929 5.249 4.320 -0.000 0.000 0.294 358 A C -1.340 176.029 177.584 -0.359 0.000 1.091 358 A CA -0.581 51.355 52.037 -0.170 0.000 0.704 358 A CB 2.505 21.445 19.000 -0.099 0.000 1.300 358 A HN 0.655 nan 8.150 nan 0.000 0.406 359 I N -0.157 120.256 120.570 -0.262 0.000 2.918 359 I HA 0.720 4.890 4.170 -0.000 0.000 0.301 359 I C -0.322 175.753 176.117 -0.071 0.000 1.312 359 I CA -0.434 60.682 61.300 -0.308 0.000 1.007 359 I CB 2.308 40.209 38.000 -0.166 0.000 1.281 359 I HN 0.946 nan 8.210 nan 0.000 0.440 360 G N 4.710 113.412 108.800 -0.163 0.000 2.566 360 G HA2 0.772 4.732 3.960 -0.000 0.000 0.311 360 G HA3 0.772 4.732 3.960 -0.000 0.000 0.311 360 G C -1.527 173.128 174.900 -0.409 0.000 1.322 360 G CA -0.506 44.335 45.100 -0.432 0.000 0.969 360 G HN 0.816 nan 8.290 nan 0.000 0.490 361 A N 1.868 124.434 122.820 -0.424 0.000 2.317 361 A HA 0.824 5.144 4.320 -0.000 0.000 0.327 361 A C -0.467 176.914 177.584 -0.339 0.000 1.178 361 A CA -0.524 51.340 52.037 -0.288 0.000 0.817 361 A CB 0.881 19.770 19.000 -0.185 0.000 1.189 361 A HN 0.674 nan 8.150 nan 0.000 0.489 362 L N 2.592 123.668 121.223 -0.244 0.000 2.313 362 L HA 0.637 4.977 4.340 -0.000 0.000 0.283 362 L C 0.934 177.703 176.870 -0.169 0.000 1.013 362 L CA -0.483 54.208 54.840 -0.248 0.000 0.816 362 L CB 1.896 43.802 42.059 -0.255 0.000 1.236 362 L HN 0.840 nan 8.230 nan 0.000 0.419 363 G N 1.113 109.798 108.800 -0.192 0.000 2.532 363 G HA2 0.434 4.394 3.960 -0.000 0.000 0.291 363 G HA3 0.434 4.394 3.960 -0.000 0.000 0.291 363 G C -0.395 174.421 174.900 -0.140 0.000 1.349 363 G CA -0.460 44.540 45.100 -0.166 0.000 1.038 363 G HN 0.449 nan 8.290 nan 0.000 0.518 364 T N 0.566 115.043 114.554 -0.130 0.000 2.916 364 T HA 0.177 4.527 4.350 -0.000 0.000 0.303 364 T C 0.486 175.101 174.700 -0.141 0.000 1.025 364 T CA 0.370 62.403 62.100 -0.112 0.000 1.142 364 T CB 0.600 69.411 68.868 -0.094 0.000 0.947 364 T HN 0.224 nan 8.240 nan 0.000 0.544 365 I N 3.839 124.322 120.570 -0.146 0.000 2.347 365 I HA 0.224 4.393 4.170 -0.000 0.000 0.294 365 I C 0.794 176.841 176.117 -0.117 0.000 1.090 365 I CA 0.096 61.297 61.300 -0.166 0.000 1.314 365 I CB 0.101 37.947 38.000 -0.257 0.000 1.423 365 I HN 0.328 nan 8.210 nan 0.000 0.503 366 K N 4.520 124.855 120.400 -0.108 0.000 2.328 366 K HA 0.743 5.063 4.320 -0.000 0.000 0.246 366 K C -0.708 175.847 176.600 -0.076 0.000 0.955 366 K CA -0.917 55.320 56.287 -0.084 0.000 0.817 366 K CB 2.484 34.932 32.500 -0.087 0.000 1.208 366 K HN 0.572 nan 8.250 nan 0.000 0.432 367 A N 3.538 126.322 122.820 -0.060 0.000 2.309 367 A HA 0.512 4.832 4.320 -0.000 0.000 0.290 367 A C -0.636 176.911 177.584 -0.061 0.000 1.206 367 A CA -0.380 51.624 52.037 -0.055 0.000 0.850 367 A CB -0.039 18.936 19.000 -0.041 0.000 1.118 367 A HN 0.572 nan 8.150 nan 0.000 0.523 368 L N 3.435 124.617 121.223 -0.068 0.000 2.370 368 L HA 0.436 4.776 4.340 -0.000 0.000 0.266 368 L C -2.529 174.286 176.870 -0.091 0.000 1.002 368 L CA -2.314 52.479 54.840 -0.079 0.000 0.818 368 L CB 2.729 44.738 42.059 -0.084 0.000 1.325 368 L HN 0.413 nan 8.230 nan 0.000 0.418 369 P HA 0.243 nan 4.420 nan 0.000 0.271 369 P C -1.074 176.096 177.300 -0.217 0.000 1.226 369 P CA -0.169 62.840 63.100 -0.151 0.000 0.765 369 P CB 0.555 32.157 31.700 -0.163 0.000 0.835 370 R N 2.475 122.844 120.500 -0.218 0.000 2.668 370 R HA 0.427 4.766 4.340 -0.000 0.000 0.272 370 R C -0.769 175.421 176.300 -0.182 0.000 1.019 370 R CA -0.835 55.126 56.100 -0.232 0.000 0.894 370 R CB 1.063 31.306 30.300 -0.096 0.000 1.228 370 R HN 0.282 nan 8.270 nan 0.000 0.460 371 F N 2.448 122.397 119.950 -0.002 0.000 2.456 371 F HA 0.113 4.639 4.527 -0.000 0.000 0.358 371 F C 1.413 177.213 175.800 -0.000 0.000 1.095 371 F CA -0.524 57.476 58.000 -0.000 0.000 1.216 371 F CB 0.289 39.290 39.000 0.003 0.000 1.125 371 F HN 0.460 nan 8.300 nan 0.000 0.549 372 N N 1.506 120.329 118.700 0.205 0.000 2.366 372 N HA 0.072 4.812 4.740 -0.000 0.000 0.277 372 N C 0.656 176.220 175.510 0.089 0.000 1.275 372 N CA -0.416 52.700 53.050 0.111 0.000 0.964 372 N CB 0.094 38.626 38.487 0.074 0.000 1.167 372 N HN 0.611 nan 8.380 nan 0.000 0.568 373 E N -0.389 119.844 120.200 0.055 0.000 2.169 373 E HA -0.240 4.109 4.350 -0.000 0.000 0.202 373 E C 1.023 177.634 176.600 0.018 0.000 1.016 373 E CA 1.540 57.960 56.400 0.035 0.000 0.817 373 E CB -0.160 29.558 29.700 0.030 0.000 0.736 373 E HN 0.569 nan 8.360 nan 0.000 0.462 374 K N -1.082 119.331 120.400 0.022 0.000 2.361 374 K HA 0.068 4.388 4.320 -0.000 0.000 0.196 374 K C 1.140 177.727 176.600 -0.020 0.000 1.039 374 K CA 0.613 56.903 56.287 0.005 0.000 1.001 374 K CB 0.761 33.270 32.500 0.015 0.000 0.795 374 K HN 0.276 nan 8.250 nan 0.000 0.495 375 G N 1.982 110.769 108.800 -0.022 0.000 2.148 375 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.203 375 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.203 375 G C -0.475 174.429 174.900 0.006 0.000 0.993 375 G CA -0.336 44.689 45.100 -0.125 0.000 0.661 375 G HN 0.318 nan 8.290 nan 0.000 0.518 376 E N -0.385 119.899 120.200 0.140 0.000 2.202 376 E HA 0.550 4.899 4.350 -0.000 0.000 0.272 376 E C 0.193 176.950 176.600 0.262 0.000 0.951 376 E CA -0.929 55.580 56.400 0.182 0.000 0.813 376 E CB 2.395 32.151 29.700 0.093 0.000 1.151 376 E HN 0.071 nan 8.360 nan 0.000 0.398 377 V N 3.087 123.118 119.914 0.195 0.000 2.439 377 V HA 0.045 4.164 4.120 -0.000 0.000 0.271 377 V C -0.162 175.940 176.094 0.013 0.000 1.040 377 V CA -0.179 62.154 62.300 0.056 0.000 1.002 377 V CB -0.263 31.559 31.823 -0.002 0.000 1.000 377 V HN 0.765 nan 8.190 nan 0.000 0.477 378 C N 4.341 123.632 119.300 -0.016 0.000 2.719 378 C HA 0.500 4.960 4.460 -0.000 0.000 0.327 378 C C 0.315 175.282 174.990 -0.039 0.000 1.238 378 C CA -1.421 57.589 59.018 -0.014 0.000 1.727 378 C CB 1.618 29.361 27.740 0.005 0.000 2.256 378 C HN 0.840 nan 8.230 nan 0.000 0.489 379 K N 1.445 121.828 120.400 -0.029 0.000 2.310 379 K HA 0.552 4.872 4.320 -0.000 0.000 0.290 379 K C -0.426 176.154 176.600 -0.033 0.000 1.077 379 K CA 0.149 56.415 56.287 -0.034 0.000 0.922 379 K CB 0.264 32.749 32.500 -0.025 0.000 1.057 379 K HN 0.866 nan 8.250 nan 0.000 0.479 380 A N 4.476 127.269 122.820 -0.045 0.000 2.331 380 A HA 0.302 4.622 4.320 -0.000 0.000 0.320 380 A C -0.971 176.582 177.584 -0.051 0.000 1.138 380 A CA -0.864 51.147 52.037 -0.044 0.000 0.790 380 A CB 1.156 20.128 19.000 -0.046 0.000 1.206 380 A HN 0.659 nan 8.150 nan 0.000 0.470 381 Q N 2.451 122.221 119.800 -0.050 0.000 2.361 381 Q HA 0.277 4.617 4.340 -0.000 0.000 0.250 381 Q C -0.623 175.330 176.000 -0.079 0.000 1.023 381 Q CA -0.029 55.736 55.803 -0.063 0.000 0.915 381 Q CB 0.929 29.634 28.738 -0.055 0.000 1.238 381 Q HN 0.541 nan 8.270 nan 0.000 0.451 382 I N 3.089 123.605 120.570 -0.089 0.000 2.336 382 I HA 0.402 4.572 4.170 -0.000 0.000 0.292 382 I C 0.120 176.160 176.117 -0.128 0.000 0.991 382 I CA -0.484 60.758 61.300 -0.097 0.000 1.227 382 I CB 1.121 39.066 38.000 -0.092 0.000 1.366 382 I HN 0.508 nan 8.210 nan 0.000 0.466 383 M N 6.317 125.838 119.600 -0.131 0.000 2.393 383 M HA 0.423 4.903 4.480 -0.000 0.000 0.316 383 M C -0.971 175.229 176.300 -0.167 0.000 1.087 383 M CA -0.494 54.709 55.300 -0.163 0.000 0.937 383 M CB 1.820 34.322 32.600 -0.164 0.000 1.668 383 M HN 0.507 nan 8.290 nan 0.000 0.438 384 N N 1.901 120.451 118.700 -0.250 0.000 2.518 384 N HA 0.495 5.235 4.740 -0.000 0.000 0.283 384 N C -1.327 174.052 175.510 -0.218 0.000 1.119 384 N CA -0.438 52.429 53.050 -0.304 0.000 0.983 384 N CB 2.145 40.207 38.487 -0.709 0.000 1.139 384 N HN 0.379 nan 8.380 nan 0.000 0.465 385 V N 0.936 120.773 119.914 -0.128 0.000 2.735 385 V HA 0.600 4.720 4.120 -0.000 0.000 0.310 385 V C -1.081 174.846 176.094 -0.278 0.000 1.061 385 V CA -0.325 61.806 62.300 -0.280 0.000 0.913 385 V CB 1.936 33.568 31.823 -0.318 0.000 1.005 385 V HN 0.664 nan 8.190 nan 0.000 0.428 386 S N 5.880 121.318 115.700 -0.437 0.000 2.659 386 S HA 0.597 5.067 4.470 -0.000 0.000 0.312 386 S C -1.440 172.916 174.600 -0.407 0.000 1.114 386 S CA -0.403 57.631 58.200 -0.276 0.000 1.063 386 S CB 0.944 64.085 63.200 -0.099 0.000 0.996 386 S HN 0.708 nan 8.310 nan 0.000 0.478 387 W N 1.565 122.879 121.300 0.024 0.000 2.551 387 W HA 0.648 5.308 4.660 -0.000 0.000 0.330 387 W C 0.272 176.789 176.519 -0.003 0.000 1.063 387 W CA -0.601 56.751 57.345 0.011 0.000 1.222 387 W CB 1.190 30.709 29.460 0.099 0.000 1.349 387 W HN 0.373 nan 8.180 nan 0.000 0.536 388 S N 1.468 117.296 115.700 0.214 0.000 2.500 388 S HA 0.882 5.352 4.470 -0.000 0.000 0.301 388 S C -0.689 173.960 174.600 0.083 0.000 1.092 388 S CA -0.698 57.589 58.200 0.145 0.000 1.030 388 S CB 1.498 64.803 63.200 0.174 0.000 1.031 388 S HN 0.548 nan 8.310 nan 0.000 0.483 389 A N 1.547 124.410 122.820 0.072 0.000 2.539 389 A HA 0.625 4.945 4.320 -0.000 0.000 0.296 389 A C -1.249 176.298 177.584 -0.061 0.000 1.073 389 A CA -0.712 51.316 52.037 -0.015 0.000 0.700 389 A CB 1.100 20.105 19.000 0.007 0.000 1.296 389 A HN 0.640 nan 8.150 nan 0.000 0.405 390 D N 0.769 121.092 120.400 -0.129 0.000 2.416 390 D HA 0.027 4.666 4.640 -0.000 0.000 0.240 390 D C 0.767 177.039 176.300 -0.046 0.000 1.250 390 D CA 0.230 54.161 54.000 -0.114 0.000 0.967 390 D CB 0.005 40.732 40.800 -0.120 0.000 1.059 390 D HN 0.567 nan 8.370 nan 0.000 0.512 391 H N 3.992 123.050 119.070 -0.020 0.000 2.557 391 H HA -0.030 4.526 4.556 -0.000 0.000 0.287 391 H C 1.483 176.776 175.328 -0.058 0.000 1.043 391 H CA 0.861 56.883 56.048 -0.043 0.000 1.226 391 H CB 0.458 30.216 29.762 -0.006 0.000 1.361 391 H HN 0.464 nan 8.280 nan 0.000 0.592 392 R N -0.272 120.287 120.500 0.099 0.000 2.083 392 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 392 R C 1.706 178.023 176.300 0.028 0.000 1.137 392 R CA 2.094 58.226 56.100 0.053 0.000 0.951 392 R CB 0.040 30.349 30.300 0.015 0.000 0.851 392 R HN 0.314 nan 8.270 nan 0.000 0.434 393 I N -2.910 117.646 120.570 -0.022 0.000 4.288 393 I HA 0.267 4.437 4.170 -0.000 0.000 0.331 393 I C 0.224 176.286 176.117 -0.091 0.000 1.322 393 I CA 0.135 61.404 61.300 -0.050 0.000 1.149 393 I CB 0.565 38.520 38.000 -0.075 0.000 1.112 393 I HN -0.135 nan 8.210 nan 0.000 0.403 394 I N 3.103 123.576 120.570 -0.160 0.000 2.406 394 I HA 0.371 4.541 4.170 -0.000 0.000 0.290 394 I C -0.953 174.880 176.117 -0.473 0.000 0.999 394 I CA -0.781 60.370 61.300 -0.249 0.000 1.124 394 I CB 1.595 39.450 38.000 -0.241 0.000 1.289 394 I HN 0.154 nan 8.210 nan 0.000 0.441 395 D N 4.129 124.287 120.400 -0.403 0.000 2.442 395 D HA 0.327 4.967 4.640 -0.000 0.000 0.254 395 D C 1.081 177.054 176.300 -0.546 0.000 1.069 395 D CA -0.673 53.022 54.000 -0.509 0.000 1.017 395 D CB 1.233 41.923 40.800 -0.183 0.000 1.172 395 D HN 0.509 nan 8.370 nan 0.000 0.561 396 G N -0.181 108.287 108.800 -0.555 0.000 2.459 396 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.217 396 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.217 396 G C 1.466 176.217 174.900 -0.248 0.000 1.183 396 G CA 1.734 46.562 45.100 -0.454 0.000 0.776 396 G HN 0.699 nan 8.290 nan 0.000 0.552 397 A N 0.291 123.004 122.820 -0.178 0.000 1.892 397 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 397 A C 2.543 179.987 177.584 -0.233 0.000 1.188 397 A CA 2.778 54.727 52.037 -0.145 0.000 0.631 397 A CB -1.209 17.751 19.000 -0.066 0.000 0.822 397 A HN 0.340 nan 8.150 nan 0.000 0.447 398 T N -0.159 114.250 114.554 -0.242 0.000 2.684 398 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 398 T C 1.879 176.271 174.700 -0.514 0.000 1.036 398 T CA 1.781 63.676 62.100 -0.340 0.000 1.148 398 T CB -0.591 68.160 68.868 -0.196 0.000 0.863 398 T HN 0.233 nan 8.240 nan 0.000 0.436 399 V N 1.073 120.736 119.914 -0.418 0.000 2.358 399 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 399 V C 2.681 178.430 176.094 -0.575 0.000 1.047 399 V CA 1.785 63.824 62.300 -0.435 0.000 1.035 399 V CB -1.011 30.658 31.823 -0.256 0.000 0.658 399 V HN 0.457 nan 8.190 nan 0.000 0.452 400 S N -0.054 115.226 115.700 -0.700 0.000 2.351 400 S HA -0.228 4.242 4.470 -0.000 0.000 0.220 400 S C 2.236 176.601 174.600 -0.392 0.000 1.035 400 S CA 1.810 59.544 58.200 -0.778 0.000 1.031 400 S CB -0.254 62.658 63.200 -0.479 0.000 0.928 400 S HN 0.548 nan 8.310 nan 0.000 0.433 401 R N -0.501 119.776 120.500 -0.373 0.000 2.091 401 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 401 R C 2.194 178.242 176.300 -0.419 0.000 1.136 401 R CA 1.809 57.724 56.100 -0.309 0.000 0.959 401 R CB -0.722 29.416 30.300 -0.270 0.000 0.856 401 R HN 0.588 nan 8.270 nan 0.000 0.437 402 F N 1.252 120.652 119.950 -0.916 0.000 2.102 402 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 402 F C 2.574 178.210 175.800 -0.272 0.000 1.105 402 F CA 1.781 59.377 58.000 -0.674 0.000 1.239 402 F CB -0.522 38.019 39.000 -0.764 0.000 0.991 402 F HN -0.126 nan 8.300 nan 0.000 0.474 403 S N 0.462 115.930 115.700 -0.387 0.000 2.356 403 S HA -0.209 4.260 4.470 -0.000 0.000 0.223 403 S C 1.920 176.585 174.600 0.108 0.000 1.032 403 S CA 1.645 59.781 58.200 -0.106 0.000 1.005 403 S CB -0.570 62.794 63.200 0.272 0.000 0.867 403 S HN 0.522 nan 8.310 nan 0.000 0.449 404 N N 1.382 120.111 118.700 0.049 0.000 2.104 404 N HA -0.092 4.648 4.740 -0.000 0.000 0.190 404 N C 1.589 177.121 175.510 0.035 0.000 1.024 404 N CA 1.056 54.154 53.050 0.080 0.000 0.853 404 N CB -0.760 37.764 38.487 0.061 0.000 1.008 404 N HN 0.331 nan 8.380 nan 0.000 0.424 405 L N -0.313 120.905 121.223 -0.008 0.000 2.027 405 L HA -0.063 4.277 4.340 -0.000 0.000 0.206 405 L C 2.134 179.007 176.870 0.005 0.000 1.074 405 L CA 1.456 56.277 54.840 -0.031 0.000 0.745 405 L CB -0.965 41.152 42.059 0.096 0.000 0.898 405 L HN 0.296 nan 8.230 nan 0.000 0.433 406 W N 0.842 122.027 121.300 -0.192 0.000 2.358 406 W HA -0.232 4.427 4.660 -0.000 0.000 0.303 406 W C 2.658 179.231 176.519 0.090 0.000 1.208 406 W CA 2.488 59.802 57.345 -0.052 0.000 1.274 406 W CB -0.181 29.082 29.460 -0.327 0.000 1.138 406 W HN 0.137 nan 8.180 nan 0.000 0.515 407 K N 0.375 120.863 120.400 0.147 0.000 2.025 407 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 407 K C 2.398 178.938 176.600 -0.100 0.000 1.049 407 K CA 2.095 58.379 56.287 -0.006 0.000 0.933 407 K CB -0.703 31.896 32.500 0.165 0.000 0.714 407 K HN 0.242 nan 8.250 nan 0.000 0.438 408 S N -0.120 115.528 115.700 -0.086 0.000 2.374 408 S HA -0.209 4.260 4.470 -0.000 0.000 0.227 408 S C 1.967 176.436 174.600 -0.218 0.000 1.037 408 S CA 1.204 59.310 58.200 -0.157 0.000 1.024 408 S CB -0.734 62.383 63.200 -0.138 0.000 0.861 408 S HN 0.407 nan 8.310 nan 0.000 0.456 409 Y N 1.597 121.847 120.300 -0.084 0.000 2.421 409 Y HA 0.239 4.788 4.550 -0.000 0.000 0.292 409 Y C 2.075 177.878 175.900 -0.162 0.000 1.136 409 Y CA 0.554 58.606 58.100 -0.080 0.000 1.255 409 Y CB -0.342 38.109 38.460 -0.014 0.000 0.991 409 Y HN 0.275 nan 8.280 nan 0.000 0.552 410 L N -1.359 119.804 121.223 -0.101 0.000 2.408 410 L HA 0.031 4.371 4.340 -0.000 0.000 0.215 410 L C 1.963 178.740 176.870 -0.156 0.000 1.081 410 L CA 0.555 55.311 54.840 -0.140 0.000 0.840 410 L CB -0.175 41.735 42.059 -0.249 0.000 1.002 410 L HN 0.041 nan 8.230 nan 0.000 0.468 411 E N 0.522 120.610 120.200 -0.187 0.000 2.216 411 E HA 0.002 4.352 4.350 -0.000 0.000 0.192 411 E C 0.059 176.502 176.600 -0.262 0.000 0.988 411 E CA 0.498 56.789 56.400 -0.181 0.000 0.834 411 E CB 0.265 29.878 29.700 -0.145 0.000 0.772 411 E HN 0.442 nan 8.360 nan 0.000 0.479 412 N N 0.936 119.382 118.700 -0.422 0.000 2.841 412 N HA 0.128 4.868 4.740 -0.000 0.000 0.257 412 N C -2.378 172.841 175.510 -0.485 0.000 1.396 412 N CA -1.048 51.580 53.050 -0.704 0.000 0.823 412 N CB 1.427 38.859 38.487 -1.759 0.000 1.162 412 N HN -0.032 nan 8.380 nan 0.000 0.503 413 P HA -0.131 nan 4.420 nan 0.000 0.218 413 P C 1.471 178.830 177.300 0.098 0.000 1.148 413 P CA 1.020 64.111 63.100 -0.015 0.000 0.822 413 P CB 0.405 32.087 31.700 -0.029 0.000 0.784 414 A N -0.535 122.347 122.820 0.104 0.000 1.940 414 A HA -0.251 4.069 4.320 -0.000 0.000 0.221 414 A C 1.849 179.685 177.584 0.421 0.000 1.190 414 A CA 1.851 54.036 52.037 0.248 0.000 0.647 414 A CB -1.875 17.305 19.000 0.300 0.000 0.821 414 A HN 0.091 nan 8.150 nan 0.000 0.457 415 F N -0.807 119.223 119.950 0.133 0.000 2.365 415 F HA -0.027 4.500 4.527 -0.000 0.000 0.300 415 F C 2.307 178.284 175.800 0.295 0.000 1.090 415 F CA 0.489 58.595 58.000 0.176 0.000 1.408 415 F CB -1.005 38.075 39.000 0.132 0.000 1.060 415 F HN 0.184 nan 8.300 nan 0.000 0.534 416 M N -0.813 119.068 119.600 0.468 0.000 2.213 416 M HA -0.212 4.268 4.480 -0.000 0.000 0.263 416 M C 2.290 178.679 176.300 0.148 0.000 1.062 416 M CA 1.225 56.652 55.300 0.212 0.000 1.105 416 M CB -0.479 32.172 32.600 0.084 0.000 1.385 416 M HN 0.155 nan 8.290 nan 0.000 0.417 417 L N 0.013 121.338 121.223 0.170 0.000 2.013 417 L HA -0.305 4.035 4.340 -0.000 0.000 0.212 417 L C 2.406 179.335 176.870 0.097 0.000 1.073 417 L CA 1.353 56.264 54.840 0.118 0.000 0.753 417 L CB -0.606 41.524 42.059 0.118 0.000 0.890 417 L HN 0.378 nan 8.230 nan 0.000 0.432 418 L N -0.324 120.968 121.223 0.116 0.000 2.010 418 L HA -0.340 4.000 4.340 -0.000 0.000 0.219 418 L C 1.667 178.576 176.870 0.065 0.000 1.077 418 L CA 1.922 56.809 54.840 0.078 0.000 0.773 418 L CB -0.407 41.701 42.059 0.081 0.000 0.892 418 L HN 0.488 nan 8.230 nan 0.000 0.436 419 D N -1.280 119.168 120.400 0.079 0.000 2.433 419 D HA 0.189 4.829 4.640 -0.000 0.000 0.211 419 D C 0.652 176.973 176.300 0.035 0.000 1.114 419 D CA -0.031 54.003 54.000 0.057 0.000 0.837 419 D CB 0.626 41.472 40.800 0.077 0.000 0.984 419 D HN 0.241 nan 8.370 nan 0.000 0.505 420 L N 1.899 123.141 121.223 0.031 0.000 2.439 420 L HA 0.218 4.558 4.340 -0.000 0.000 0.269 420 L C 0.810 177.691 176.870 0.019 0.000 1.179 420 L CA 0.177 55.028 54.840 0.018 0.000 0.828 420 L CB 0.679 42.747 42.059 0.016 0.000 1.106 420 L HN -0.084 nan 8.230 nan 0.000 0.467 421 K N 0.000 120.407 120.400 0.012 0.000 2.780 421 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 421 K CA 0.000 56.293 56.287 0.010 0.000 0.838 421 K CB 0.000 32.504 32.500 0.007 0.000 1.064 421 K HN 0.000 nan 8.250 nan 0.000 0.543