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 2ii3_1_E 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 0.000 174.898 174.900 -0.003 0.000 0.946 188 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 189 K N 1.765 122.163 120.400 -0.003 0.000 2.159 189 K HA 0.455 4.775 4.320 -0.000 0.000 0.266 189 K C -1.212 175.385 176.600 -0.004 0.000 0.975 189 K CA -0.660 55.625 56.287 -0.003 0.000 0.865 189 K CB 1.658 34.156 32.500 -0.003 0.000 1.087 189 K HN 0.125 nan 8.250 nan 0.000 0.446 190 D N 1.893 122.290 120.400 -0.005 0.000 2.382 190 D HA 0.051 4.691 4.640 -0.000 0.000 0.240 190 D C 0.070 176.367 176.300 -0.005 0.000 1.146 190 D CA 0.406 54.403 54.000 -0.006 0.000 0.897 190 D CB 0.631 41.428 40.800 -0.006 0.000 1.197 190 D HN 0.325 nan 8.370 nan 0.000 0.432 191 R N 0.408 120.904 120.500 -0.007 0.000 2.510 191 R HA 0.365 4.705 4.340 -0.000 0.000 0.294 191 R C -1.426 174.869 176.300 -0.008 0.000 1.056 191 R CA -0.536 55.560 56.100 -0.007 0.000 0.918 191 R CB 0.881 31.176 30.300 -0.007 0.000 1.187 191 R HN 0.295 nan 8.270 nan 0.000 0.437 192 T N 3.132 117.682 114.554 -0.006 0.000 2.829 192 T HA 0.312 4.662 4.350 -0.000 0.000 0.282 192 T C -0.861 173.836 174.700 -0.006 0.000 0.990 192 T CA -0.448 61.648 62.100 -0.007 0.000 1.028 192 T CB 1.463 70.328 68.868 -0.005 0.000 0.951 192 T HN 0.628 nan 8.240 nan 0.000 0.460 193 E N 2.496 122.691 120.200 -0.008 0.000 2.287 193 E HA 0.441 4.791 4.350 -0.000 0.000 0.274 193 E C -2.608 173.989 176.600 -0.005 0.000 0.896 193 E CA -1.668 54.728 56.400 -0.007 0.000 0.788 193 E CB 1.072 30.763 29.700 -0.016 0.000 1.244 193 E HN 0.337 nan 8.360 nan 0.000 0.408 194 P HA 0.065 nan 4.420 nan 0.000 0.268 194 P C -0.996 176.313 177.300 0.016 0.000 1.205 194 P CA -0.434 62.673 63.100 0.011 0.000 0.771 194 P CB 0.590 32.301 31.700 0.019 0.000 0.858 195 V N 3.884 123.810 119.914 0.019 0.000 2.555 195 V HA 0.191 4.311 4.120 -0.000 0.000 0.286 195 V C 0.589 176.727 176.094 0.074 0.000 1.044 195 V CA 0.337 62.661 62.300 0.039 0.000 1.026 195 V CB 0.121 31.963 31.823 0.032 0.000 0.981 195 V HN 0.509 nan 8.190 nan 0.000 0.480 196 K N 2.585 123.070 120.400 0.141 0.000 2.502 196 K HA 0.610 4.930 4.320 -0.000 0.000 0.257 196 K C 0.673 177.360 176.600 0.145 0.000 0.938 196 K CA -0.066 56.298 56.287 0.128 0.000 0.819 196 K CB 2.266 34.831 32.500 0.108 0.000 1.333 196 K HN 0.830 nan 8.250 nan 0.000 0.434 197 G N 2.221 111.068 108.800 0.079 0.000 2.634 197 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.318 197 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.318 197 G C 0.604 175.525 174.900 0.035 0.000 1.207 197 G CA 0.994 46.130 45.100 0.060 0.000 0.987 197 G HN 0.628 nan 8.290 nan 0.000 0.547 198 F N 1.783 121.640 119.950 -0.156 0.000 2.451 198 F HA 0.130 4.657 4.527 0.000 0.000 0.299 198 F C 2.558 178.237 175.800 -0.201 0.000 1.101 198 F CA 2.170 60.050 58.000 -0.200 0.000 1.436 198 F CB -0.069 38.775 39.000 -0.260 0.000 1.074 198 F HN 0.510 nan 8.300 nan 0.000 0.553 199 H N -1.208 117.914 119.070 0.087 0.000 2.502 199 H HA 0.006 4.562 4.556 -0.000 0.000 0.283 199 H C 2.039 177.342 175.328 -0.041 0.000 1.015 199 H CA 0.770 56.838 56.048 0.034 0.000 1.298 199 H CB 0.048 29.844 29.762 0.058 0.000 1.411 199 H HN 0.138 nan 8.280 nan 0.000 0.556 200 K N 0.498 120.917 120.400 0.030 0.000 2.209 200 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 200 K C 2.283 178.831 176.600 -0.086 0.000 1.048 200 K CA 0.804 57.079 56.287 -0.020 0.000 0.940 200 K CB 0.071 32.558 32.500 -0.022 0.000 0.729 200 K HN 0.259 nan 8.250 nan 0.000 0.451 201 A N 1.043 123.745 122.820 -0.196 0.000 1.930 201 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 201 A C 2.042 179.521 177.584 -0.175 0.000 1.175 201 A CA 1.237 53.120 52.037 -0.256 0.000 0.627 201 A CB -0.350 18.330 19.000 -0.534 0.000 0.815 201 A HN 0.290 nan 8.150 nan 0.000 0.443 202 M N -0.308 119.210 119.600 -0.137 0.000 2.254 202 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 202 M C 1.814 178.094 176.300 -0.033 0.000 1.066 202 M CA 1.341 56.605 55.300 -0.060 0.000 1.123 202 M CB -0.181 32.418 32.600 -0.000 0.000 1.388 202 M HN 0.213 nan 8.290 nan 0.000 0.425 203 V N 1.182 121.080 119.914 -0.026 0.000 2.233 203 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 203 V C 2.194 178.273 176.094 -0.025 0.000 1.050 203 V CA 2.212 64.502 62.300 -0.017 0.000 1.010 203 V CB -0.899 30.919 31.823 -0.009 0.000 0.637 203 V HN 0.500 nan 8.190 nan 0.000 0.444 204 K N -0.394 119.984 120.400 -0.037 0.000 2.057 204 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 204 K C 2.265 178.847 176.600 -0.031 0.000 1.049 204 K CA 1.869 58.135 56.287 -0.035 0.000 0.931 204 K CB -0.516 31.957 32.500 -0.045 0.000 0.714 204 K HN 0.466 nan 8.250 nan 0.000 0.440 205 T N 1.403 115.933 114.554 -0.041 0.000 2.674 205 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 205 T C 1.831 176.525 174.700 -0.009 0.000 1.039 205 T CA 1.207 63.290 62.100 -0.028 0.000 1.150 205 T CB -0.031 68.814 68.868 -0.039 0.000 0.864 205 T HN 0.091 nan 8.240 nan 0.000 0.427 206 M N 1.379 120.973 119.600 -0.011 0.000 2.229 206 M HA 0.048 4.528 4.480 -0.000 0.000 0.264 206 M C 2.545 178.843 176.300 -0.003 0.000 1.063 206 M CA 1.022 56.320 55.300 -0.003 0.000 1.114 206 M CB -1.358 31.236 32.600 -0.010 0.000 1.387 206 M HN 0.148 nan 8.290 nan 0.000 0.420 207 S N 1.185 116.881 115.700 -0.007 0.000 2.382 207 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 207 S C 2.110 176.713 174.600 0.004 0.000 1.027 207 S CA 1.265 59.462 58.200 -0.004 0.000 0.991 207 S CB -0.342 62.853 63.200 -0.008 0.000 0.823 207 S HN 0.572 nan 8.310 nan 0.000 0.469 208 A N 1.599 124.422 122.820 0.005 0.000 1.929 208 A HA 0.282 4.602 4.320 -0.000 0.000 0.216 208 A C 2.325 179.927 177.584 0.031 0.000 1.176 208 A CA 1.305 53.348 52.037 0.011 0.000 0.628 208 A CB -1.007 17.994 19.000 0.003 0.000 0.816 208 A HN 0.503 nan 8.150 nan 0.000 0.444 209 A N -0.180 122.667 122.820 0.046 0.000 2.139 209 A HA -0.090 4.230 4.320 -0.000 0.000 0.221 209 A C 1.941 179.602 177.584 0.129 0.000 1.159 209 A CA 1.379 53.481 52.037 0.109 0.000 0.662 209 A CB -0.658 18.418 19.000 0.127 0.000 0.796 209 A HN 0.507 nan 8.150 nan 0.000 0.463 210 L N -1.442 119.816 121.223 0.059 0.000 2.376 210 L HA -0.108 4.232 4.340 -0.000 0.000 0.219 210 L C 2.162 179.068 176.870 0.060 0.000 1.133 210 L CA 1.072 55.937 54.840 0.043 0.000 0.816 210 L CB -0.221 41.847 42.059 0.014 0.000 0.933 210 L HN 0.353 nan 8.230 nan 0.000 0.449 211 K N -0.020 120.416 120.400 0.059 0.000 2.418 211 K HA 0.143 4.463 4.320 -0.000 0.000 0.195 211 K C 0.399 177.034 176.600 0.059 0.000 1.035 211 K CA 0.328 56.642 56.287 0.045 0.000 1.003 211 K CB 0.328 32.844 32.500 0.027 0.000 0.793 211 K HN 0.230 nan 8.250 nan 0.000 0.494 212 I N 3.100 123.728 120.570 0.097 0.000 2.304 212 I HA 0.144 4.314 4.170 -0.000 0.000 0.291 212 I C -2.413 173.809 176.117 0.176 0.000 1.018 212 I CA -2.614 58.732 61.300 0.077 0.000 1.260 212 I CB 1.133 39.126 38.000 -0.013 0.000 1.390 212 I HN -0.254 nan 8.210 nan 0.000 0.475 213 P HA 0.145 nan 4.420 nan 0.000 0.274 213 P C -0.952 176.473 177.300 0.208 0.000 1.291 213 P CA -0.133 63.065 63.100 0.162 0.000 0.815 213 P CB 0.052 31.810 31.700 0.097 0.000 0.897 214 H N 2.634 121.769 119.070 0.109 0.000 2.620 214 H HA 0.350 4.906 4.556 0.000 0.000 0.313 214 H C -0.432 175.028 175.328 0.221 0.000 1.075 214 H CA 0.027 56.152 56.048 0.128 0.000 1.397 214 H CB 0.012 29.812 29.762 0.065 0.000 1.446 214 H HN 0.311 nan 8.280 nan 0.000 0.493 215 F N 2.534 122.592 119.950 0.180 0.000 2.443 215 F HA 0.608 5.135 4.527 0.000 0.000 0.335 215 F C 0.251 176.154 175.800 0.170 0.000 1.104 215 F CA -0.796 57.319 58.000 0.193 0.000 1.013 215 F CB 1.218 40.379 39.000 0.269 0.000 1.136 215 F HN 0.524 nan 8.300 nan 0.000 0.470 216 G N 4.527 113.029 108.800 -0.496 0.000 2.388 216 G HA2 0.460 4.420 3.960 -0.000 0.000 0.330 216 G HA3 0.460 4.420 3.960 -0.000 0.000 0.330 216 G C -2.523 171.926 174.900 -0.752 0.000 1.142 216 G CA -0.584 44.240 45.100 -0.460 0.000 0.908 216 G HN 0.800 nan 8.290 nan 0.000 0.473 217 Y N 1.336 121.336 120.300 -0.499 0.000 2.386 217 Y HA 0.555 5.105 4.550 0.000 0.000 0.334 217 Y C -0.439 175.449 175.900 -0.020 0.000 1.002 217 Y CA -1.200 56.722 58.100 -0.296 0.000 1.068 217 Y CB 1.142 39.491 38.460 -0.185 0.000 1.203 217 Y HN 0.687 nan 8.280 nan 0.000 0.443 218 C N 4.122 123.060 119.300 -0.603 0.000 2.771 218 C HA 0.819 5.279 4.460 -0.000 0.000 0.333 218 C C -0.897 173.860 174.990 -0.387 0.000 1.267 218 C CA -0.505 58.311 59.018 -0.337 0.000 1.721 218 C CB 1.872 29.445 27.740 -0.278 0.000 2.222 218 C HN 0.908 nan 8.230 nan 0.000 0.485 219 D N -0.723 119.676 120.400 -0.002 0.000 2.671 219 D HA 0.376 5.016 4.640 -0.000 0.000 0.273 219 D C -1.548 174.846 176.300 0.157 0.000 1.264 219 D CA -0.302 53.742 54.000 0.074 0.000 0.788 219 D CB 1.651 42.541 40.800 0.150 0.000 1.324 219 D HN 0.817 nan 8.370 nan 0.000 0.424 220 E N -0.145 120.122 120.200 0.112 0.000 2.207 220 E HA 0.668 5.018 4.350 -0.000 0.000 0.270 220 E C -1.170 175.459 176.600 0.049 0.000 0.927 220 E CA -0.836 55.589 56.400 0.042 0.000 0.799 220 E CB 2.005 31.713 29.700 0.014 0.000 1.172 220 E HN 0.059 nan 8.360 nan 0.000 0.404 221 V N 1.974 121.890 119.914 0.004 0.000 2.588 221 V HA 0.199 4.319 4.120 -0.000 0.000 0.304 221 V C -0.838 175.225 176.094 -0.052 0.000 1.042 221 V CA -0.931 61.365 62.300 -0.005 0.000 0.877 221 V CB 1.768 33.580 31.823 -0.017 0.000 0.996 221 V HN 0.813 nan 8.190 nan 0.000 0.425 222 D N 4.246 124.616 120.400 -0.050 0.000 2.428 222 D HA 0.291 4.931 4.640 -0.000 0.000 0.221 222 D C 0.445 176.698 176.300 -0.079 0.000 1.123 222 D CA -0.116 53.847 54.000 -0.061 0.000 0.869 222 D CB 1.129 41.903 40.800 -0.044 0.000 1.032 222 D HN 0.490 nan 8.370 nan 0.000 0.506 223 L N 3.193 124.361 121.223 -0.092 0.000 2.653 223 L HA 0.056 4.396 4.340 -0.000 0.000 0.232 223 L C 1.866 178.691 176.870 -0.076 0.000 1.169 223 L CA -0.113 54.670 54.840 -0.095 0.000 0.951 223 L CB -0.169 41.810 42.059 -0.134 0.000 1.181 223 L HN 0.286 nan 8.230 nan 0.000 0.460 224 T N -0.225 114.290 114.554 -0.065 0.000 2.635 224 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 224 T C 1.754 176.428 174.700 -0.043 0.000 1.040 224 T CA 1.913 63.985 62.100 -0.047 0.000 1.156 224 T CB 0.017 68.860 68.868 -0.042 0.000 0.863 224 T HN 0.267 nan 8.240 nan 0.000 0.430 225 E N 0.892 121.056 120.200 -0.059 0.000 2.077 225 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 225 E C 2.050 178.601 176.600 -0.082 0.000 0.989 225 E CA 0.812 57.172 56.400 -0.067 0.000 0.800 225 E CB -0.631 29.017 29.700 -0.086 0.000 0.746 225 E HN 0.393 nan 8.360 nan 0.000 0.452 226 L N -0.293 120.872 121.223 -0.097 0.000 2.083 226 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 226 L C 2.189 179.022 176.870 -0.062 0.000 1.083 226 L CA 1.110 55.860 54.840 -0.151 0.000 0.752 226 L CB -0.263 41.719 42.059 -0.129 0.000 0.899 226 L HN 0.139 nan 8.230 nan 0.000 0.433 227 V N 0.291 120.249 119.914 0.075 0.000 2.332 227 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 227 V C 2.550 178.665 176.094 0.036 0.000 1.055 227 V CA 2.228 64.646 62.300 0.198 0.000 1.038 227 V CB -0.580 31.327 31.823 0.140 0.000 0.651 227 V HN 0.502 nan 8.190 nan 0.000 0.450 228 K N -0.054 120.338 120.400 -0.014 0.000 2.031 228 K HA -0.161 4.159 4.320 -0.000 0.000 0.205 228 K C 2.231 178.798 176.600 -0.056 0.000 1.049 228 K CA 1.521 57.790 56.287 -0.030 0.000 0.939 228 K CB -0.243 32.241 32.500 -0.027 0.000 0.717 228 K HN 0.332 nan 8.250 nan 0.000 0.438 229 L N 2.121 123.291 121.223 -0.088 0.000 2.013 229 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 229 L C 2.600 179.407 176.870 -0.105 0.000 1.073 229 L CA 2.008 56.789 54.840 -0.099 0.000 0.753 229 L CB -0.635 41.338 42.059 -0.144 0.000 0.890 229 L HN 0.230 nan 8.230 nan 0.000 0.432 230 R N -0.714 119.654 120.500 -0.219 0.000 2.083 230 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 230 R C 2.142 178.382 176.300 -0.101 0.000 1.137 230 R CA 1.714 57.701 56.100 -0.188 0.000 0.951 230 R CB -0.362 29.662 30.300 -0.460 0.000 0.851 230 R HN 0.425 nan 8.270 nan 0.000 0.434 231 E N 0.944 121.090 120.200 -0.091 0.000 2.130 231 E HA -0.229 4.120 4.350 -0.000 0.000 0.196 231 E C 1.817 178.398 176.600 -0.032 0.000 0.998 231 E CA 1.964 58.331 56.400 -0.055 0.000 0.806 231 E CB -0.172 29.506 29.700 -0.037 0.000 0.738 231 E HN 0.711 nan 8.360 nan 0.000 0.459 232 E N 0.258 120.445 120.200 -0.022 0.000 2.208 232 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 232 E C 2.256 178.864 176.600 0.014 0.000 0.988 232 E CA 0.572 56.969 56.400 -0.005 0.000 0.828 232 E CB -0.237 29.461 29.700 -0.003 0.000 0.763 232 E HN 0.242 nan 8.360 nan 0.000 0.478 233 L N 0.675 121.919 121.223 0.035 0.000 2.202 233 L HA 0.023 4.363 4.340 -0.000 0.000 0.205 233 L C 2.469 179.377 176.870 0.062 0.000 1.083 233 L CA 0.272 55.152 54.840 0.067 0.000 0.790 233 L CB -0.344 41.800 42.059 0.141 0.000 0.942 233 L HN -0.004 nan 8.230 nan 0.000 0.452 234 K N 0.617 121.041 120.400 0.040 0.000 2.056 234 K HA -0.250 4.070 4.320 -0.000 0.000 0.225 234 K C -0.392 176.257 176.600 0.082 0.000 1.053 234 K CA 2.566 58.875 56.287 0.037 0.000 0.966 234 K CB -1.510 30.978 32.500 -0.020 0.000 0.735 234 K HN 0.266 nan 8.250 nan 0.000 0.455 235 P HA -0.141 nan 4.420 nan 0.000 0.221 235 P C 1.305 178.680 177.300 0.125 0.000 1.145 235 P CA 1.193 64.341 63.100 0.081 0.000 0.795 235 P CB -0.146 31.562 31.700 0.014 0.000 0.775 236 I N -0.020 120.593 120.570 0.072 0.000 2.333 236 I HA -0.043 4.127 4.170 -0.000 0.000 0.246 236 I C 2.496 178.630 176.117 0.029 0.000 1.106 236 I CA 0.837 62.152 61.300 0.025 0.000 1.411 236 I CB -2.153 35.832 38.000 -0.025 0.000 1.082 236 I HN -0.091 nan 8.210 nan 0.000 0.420 237 A N 0.891 123.769 122.820 0.097 0.000 1.898 237 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 237 A C 2.315 180.013 177.584 0.190 0.000 1.181 237 A CA 1.168 53.318 52.037 0.188 0.000 0.620 237 A CB -1.136 18.012 19.000 0.246 0.000 0.819 237 A HN 0.386 nan 8.150 nan 0.000 0.442 238 F N 1.186 121.163 119.950 0.045 0.000 2.161 238 F HA -0.101 4.425 4.527 -0.000 0.000 0.300 238 F C 2.281 178.097 175.800 0.027 0.000 1.089 238 F CA 1.444 59.464 58.000 0.032 0.000 1.282 238 F CB -0.187 38.820 39.000 0.012 0.000 1.010 238 F HN 0.221 nan 8.300 nan 0.000 0.485 239 A N 0.298 123.170 122.820 0.087 0.000 2.119 239 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 239 A C 2.062 179.593 177.584 -0.089 0.000 1.153 239 A CA 0.857 52.881 52.037 -0.022 0.000 0.692 239 A CB -0.556 18.489 19.000 0.075 0.000 0.799 239 A HN 0.482 nan 8.150 nan 0.000 0.458 240 R N -1.189 119.280 120.500 -0.052 0.000 2.334 240 R HA 0.247 4.587 4.340 -0.000 0.000 0.220 240 R C 1.031 177.347 176.300 0.026 0.000 0.917 240 R CA 0.499 56.592 56.100 -0.011 0.000 1.073 240 R CB 0.052 30.345 30.300 -0.011 0.000 1.056 240 R HN 0.589 nan 8.270 nan 0.000 0.506 241 G N 1.097 109.837 108.800 -0.100 0.000 2.137 241 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.237 241 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.237 241 G C -0.112 174.758 174.900 -0.050 0.000 1.002 241 G CA -0.265 44.751 45.100 -0.140 0.000 0.702 241 G HN 0.130 nan 8.290 nan 0.000 0.515 242 I N 0.184 120.774 120.570 0.033 0.000 2.509 242 I HA 0.409 4.579 4.170 -0.000 0.000 0.293 242 I C 0.358 176.521 176.117 0.077 0.000 1.020 242 I CA -1.422 59.911 61.300 0.054 0.000 1.088 242 I CB 1.740 39.799 38.000 0.099 0.000 1.267 242 I HN -0.013 nan 8.210 nan 0.000 0.430 243 K N 5.007 125.430 120.400 0.038 0.000 2.248 243 K HA 0.392 4.712 4.320 -0.000 0.000 0.281 243 K C -0.809 175.801 176.600 0.016 0.000 1.054 243 K CA -0.750 55.569 56.287 0.053 0.000 0.903 243 K CB 1.508 34.030 32.500 0.036 0.000 1.077 243 K HN 0.263 nan 8.250 nan 0.000 0.474 244 L N 3.408 124.645 121.223 0.023 0.000 2.295 244 L HA 0.189 4.529 4.340 -0.000 0.000 0.281 244 L C 0.108 176.937 176.870 -0.068 0.000 1.018 244 L CA 0.121 54.952 54.840 -0.014 0.000 0.841 244 L CB 0.893 42.973 42.059 0.035 0.000 1.218 244 L HN 0.700 nan 8.230 nan 0.000 0.424 245 S N 3.486 119.136 115.700 -0.082 0.000 2.623 245 S HA 0.443 4.913 4.470 -0.000 0.000 0.287 245 S C 0.888 175.387 174.600 -0.168 0.000 1.123 245 S CA -0.281 57.833 58.200 -0.144 0.000 1.016 245 S CB 0.174 63.364 63.200 -0.016 0.000 1.233 245 S HN 0.414 nan 8.310 nan 0.000 0.512 246 F N 0.180 120.084 119.950 -0.076 0.000 2.569 246 F HA 0.261 4.788 4.527 -0.000 0.000 0.295 246 F C 2.416 177.868 175.800 -0.580 0.000 1.115 246 F CA 0.162 57.970 58.000 -0.320 0.000 1.450 246 F CB -0.289 38.337 39.000 -0.625 0.000 1.107 246 F HN 0.258 nan 8.300 nan 0.000 0.563 247 M N 0.237 119.758 119.600 -0.132 0.000 2.159 247 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 247 M C -0.606 175.725 176.300 0.053 0.000 1.063 247 M CA 1.636 56.945 55.300 0.014 0.000 1.110 247 M CB -2.133 30.552 32.600 0.142 0.000 1.374 247 M HN -0.056 nan 8.290 nan 0.000 0.411 248 P HA -0.120 nan 4.420 nan 0.000 0.218 248 P C 1.329 178.535 177.300 -0.157 0.000 1.148 248 P CA 1.249 64.256 63.100 -0.154 0.000 0.822 248 P CB -0.247 31.244 31.700 -0.349 0.000 0.784 249 F N -2.066 117.859 119.950 -0.042 0.000 2.128 249 F HA -0.098 4.429 4.527 -0.000 0.000 0.295 249 F C 2.136 178.052 175.800 0.192 0.000 1.100 249 F CA 1.084 59.090 58.000 0.011 0.000 1.260 249 F CB -1.368 37.592 39.000 -0.065 0.000 1.009 249 F HN -0.176 nan 8.300 nan 0.000 0.476 250 F N 0.469 120.655 119.950 0.393 0.000 2.126 250 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 250 F C 2.273 178.415 175.800 0.570 0.000 1.096 250 F CA 0.909 59.199 58.000 0.483 0.000 1.255 250 F CB -1.611 37.722 39.000 0.555 0.000 0.997 250 F HN -0.050 nan 8.300 nan 0.000 0.479 251 L N -0.568 120.991 121.223 0.560 0.000 2.027 251 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 251 L C 2.479 179.549 176.870 0.333 0.000 1.074 251 L CA 1.317 56.412 54.840 0.425 0.000 0.745 251 L CB -0.623 41.601 42.059 0.275 0.000 0.898 251 L HN 0.004 nan 8.230 nan 0.000 0.433 252 K N 0.610 121.149 120.400 0.231 0.000 2.097 252 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 252 K C 2.008 178.697 176.600 0.148 0.000 1.050 252 K CA 1.410 57.783 56.287 0.143 0.000 0.938 252 K CB -0.264 32.264 32.500 0.046 0.000 0.718 252 K HN 0.225 nan 8.250 nan 0.000 0.442 253 A N 0.290 123.244 122.820 0.224 0.000 1.930 253 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 253 A C 2.313 180.195 177.584 0.496 0.000 1.175 253 A CA 1.715 53.872 52.037 0.200 0.000 0.627 253 A CB -0.859 18.176 19.000 0.058 0.000 0.815 253 A HN 0.377 nan 8.150 nan 0.000 0.443 254 A N -0.721 122.526 122.820 0.712 0.000 1.902 254 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 254 A C 2.482 180.228 177.584 0.270 0.000 1.181 254 A CA 2.114 54.509 52.037 0.597 0.000 0.623 254 A CB -0.991 18.362 19.000 0.588 0.000 0.818 254 A HN 0.555 nan 8.150 nan 0.000 0.443 255 S N -0.484 115.343 115.700 0.212 0.000 2.368 255 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 255 S C 1.957 176.670 174.600 0.188 0.000 1.030 255 S CA 1.508 59.800 58.200 0.154 0.000 0.999 255 S CB -0.500 62.886 63.200 0.309 0.000 0.844 255 S HN 0.479 nan 8.310 nan 0.000 0.459 256 L N 0.756 122.079 121.223 0.167 0.000 2.046 256 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 256 L C 2.818 179.868 176.870 0.301 0.000 1.077 256 L CA 1.250 56.174 54.840 0.141 0.000 0.747 256 L CB -0.990 40.955 42.059 -0.190 0.000 0.896 256 L HN 0.497 nan 8.230 nan 0.000 0.432 257 G N -0.328 108.705 108.800 0.388 0.000 2.422 257 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 257 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 257 G C 1.455 176.679 174.900 0.540 0.000 1.146 257 G CA 0.295 45.695 45.100 0.501 0.000 0.769 257 G HN 0.126 nan 8.290 nan 0.000 0.547 258 L N 0.409 121.783 121.223 0.252 0.000 2.291 258 L HA 0.213 4.553 4.340 -0.000 0.000 0.214 258 L C 2.785 179.686 176.870 0.052 0.000 1.120 258 L CA 0.718 55.519 54.840 -0.066 0.000 0.799 258 L CB -0.738 40.939 42.059 -0.636 0.000 0.925 258 L HN 0.208 nan 8.230 nan 0.000 0.446 259 L N -1.327 120.002 121.223 0.176 0.000 2.093 259 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 259 L C 2.461 179.359 176.870 0.046 0.000 1.085 259 L CA 0.851 55.794 54.840 0.170 0.000 0.755 259 L CB -0.407 41.757 42.059 0.174 0.000 0.904 259 L HN 0.283 nan 8.230 nan 0.000 0.435 260 Q N -0.657 119.151 119.800 0.013 0.000 2.269 260 Q HA 0.034 4.374 4.340 -0.000 0.000 0.201 260 Q C 0.127 175.774 176.000 -0.588 0.000 0.946 260 Q CA 1.000 56.632 55.803 -0.284 0.000 0.877 260 Q CB 0.247 28.806 28.738 -0.298 0.000 0.963 260 Q HN 0.374 nan 8.270 nan 0.000 0.472 261 F N 1.234 121.216 119.950 0.053 0.000 2.523 261 F HA 0.276 4.803 4.527 0.000 0.000 0.322 261 F C -1.598 174.173 175.800 -0.047 0.000 1.361 261 F CA -1.977 56.022 58.000 -0.002 0.000 1.151 261 F CB 1.383 40.378 39.000 -0.008 0.000 1.391 261 F HN -0.062 nan 8.300 nan 0.000 0.566 262 P HA -0.124 nan 4.420 nan 0.000 0.226 262 P C 1.922 179.362 177.300 0.233 0.000 1.153 262 P CA 1.059 64.249 63.100 0.149 0.000 0.777 262 P CB 0.685 32.468 31.700 0.139 0.000 0.794 263 I N -0.315 120.416 120.570 0.269 0.000 2.423 263 I HA -0.195 3.975 4.170 -0.000 0.000 0.254 263 I C 2.028 178.126 176.117 -0.031 0.000 1.151 263 I CA 1.003 62.401 61.300 0.162 0.000 1.421 263 I CB -0.135 37.968 38.000 0.172 0.000 1.079 263 I HN -0.140 nan 8.210 nan 0.000 0.431 264 L N 0.021 121.190 121.223 -0.090 0.000 2.465 264 L HA -0.111 4.229 4.340 -0.000 0.000 0.224 264 L C 0.933 177.739 176.870 -0.107 0.000 1.145 264 L CA 0.667 55.387 54.840 -0.200 0.000 0.834 264 L CB -0.500 41.245 42.059 -0.523 0.000 0.944 264 L HN 0.241 nan 8.230 nan 0.000 0.451 265 N N 0.262 118.914 118.700 -0.080 0.000 2.535 265 N HA 0.351 5.091 4.740 -0.000 0.000 0.294 265 N C -0.446 175.076 175.510 0.021 0.000 1.408 265 N CA -0.093 52.950 53.050 -0.012 0.000 0.927 265 N CB 0.516 38.974 38.487 -0.048 0.000 1.276 265 N HN 0.148 nan 8.380 nan 0.000 0.505 266 A N -0.833 121.960 122.820 -0.045 0.000 2.387 266 A HA 0.840 5.160 4.320 -0.000 0.000 0.303 266 A C -0.498 177.024 177.584 -0.104 0.000 1.145 266 A CA -0.563 51.392 52.037 -0.137 0.000 0.801 266 A CB 1.443 20.227 19.000 -0.360 0.000 1.342 266 A HN 0.202 nan 8.150 nan 0.000 0.440 267 S N -1.104 114.523 115.700 -0.121 0.000 2.566 267 S HA 0.709 5.179 4.470 -0.000 0.000 0.298 267 S C -0.429 174.105 174.600 -0.109 0.000 1.083 267 S CA -0.261 57.886 58.200 -0.088 0.000 0.978 267 S CB 1.649 64.820 63.200 -0.049 0.000 1.073 267 S HN 1.612 nan 8.310 nan 0.000 0.491 268 V N 0.067 119.933 119.914 -0.080 0.000 2.815 268 V HA 0.751 4.871 4.120 -0.000 0.000 0.314 268 V C -0.532 175.537 176.094 -0.042 0.000 1.064 268 V CA -1.096 61.164 62.300 -0.068 0.000 0.952 268 V CB 1.631 33.415 31.823 -0.064 0.000 1.020 268 V HN 0.885 nan 8.190 nan 0.000 0.439 269 D N 1.282 121.663 120.400 -0.033 0.000 2.398 269 D HA 0.139 4.779 4.640 -0.000 0.000 0.247 269 D C 0.923 177.214 176.300 -0.016 0.000 1.227 269 D CA 0.035 54.023 54.000 -0.020 0.000 0.980 269 D CB 0.910 41.701 40.800 -0.015 0.000 1.106 269 D HN 0.752 nan 8.370 nan 0.000 0.493 270 E N 0.144 120.337 120.200 -0.010 0.000 2.068 270 E HA -0.294 4.056 4.350 -0.000 0.000 0.207 270 E C 1.209 177.806 176.600 -0.006 0.000 1.032 270 E CA 2.210 58.606 56.400 -0.007 0.000 0.839 270 E CB -0.372 29.326 29.700 -0.004 0.000 0.758 270 E HN 0.619 nan 8.360 nan 0.000 0.457 271 N N -1.227 117.470 118.700 -0.006 0.000 2.521 271 N HA -0.014 4.726 4.740 -0.000 0.000 0.188 271 N C -0.097 175.410 175.510 -0.006 0.000 1.146 271 N CA 0.472 53.519 53.050 -0.004 0.000 0.893 271 N CB 0.050 38.535 38.487 -0.003 0.000 0.975 271 N HN 0.249 nan 8.380 nan 0.000 0.451 272 C N 1.187 120.480 119.300 -0.011 0.000 4.300 272 C HA -0.176 4.284 4.460 -0.000 0.000 0.304 272 C C 1.193 176.175 174.990 -0.013 0.000 1.367 272 C CA 0.348 59.356 59.018 -0.016 0.000 2.032 272 C CB -2.154 25.578 27.740 -0.013 0.000 1.285 272 C HN 0.518 nan 8.230 nan 0.000 0.737 273 Q N -0.448 119.345 119.800 -0.011 0.000 2.281 273 Q HA 0.210 4.550 4.340 -0.000 0.000 0.215 273 Q C 0.262 176.259 176.000 -0.006 0.000 0.867 273 Q CA 0.492 56.291 55.803 -0.006 0.000 0.940 273 Q CB 0.331 29.067 28.738 -0.003 0.000 1.111 273 Q HN 0.893 nan 8.270 nan 0.000 0.513 274 N N 0.275 118.967 118.700 -0.014 0.000 2.308 274 N HA 0.446 5.186 4.740 -0.000 0.000 0.283 274 N C -1.813 173.671 175.510 -0.043 0.000 1.105 274 N CA -0.451 52.590 53.050 -0.015 0.000 0.840 274 N CB 2.661 41.143 38.487 -0.007 0.000 1.633 274 N HN -0.009 nan 8.380 nan 0.000 0.476 275 I N 0.908 121.442 120.570 -0.060 0.000 2.433 275 I HA 0.475 4.645 4.170 -0.000 0.000 0.292 275 I C -0.911 175.119 176.117 -0.145 0.000 1.001 275 I CA -0.252 60.953 61.300 -0.159 0.000 1.119 275 I CB 1.249 39.082 38.000 -0.279 0.000 1.289 275 I HN 0.446 nan 8.210 nan 0.000 0.438 276 T N 6.804 121.261 114.554 -0.162 0.000 2.770 276 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 276 T C -0.747 173.856 174.700 -0.161 0.000 0.997 276 T CA -0.067 61.982 62.100 -0.084 0.000 0.949 276 T CB 0.074 68.925 68.868 -0.028 0.000 0.941 276 T HN 0.272 nan 8.240 nan 0.000 0.457 277 Y N 2.606 122.914 120.300 0.013 0.000 2.377 277 Y HA 0.301 4.851 4.550 0.000 0.000 0.330 277 Y C 1.090 177.006 175.900 0.026 0.000 1.108 277 Y CA -0.196 57.915 58.100 0.018 0.000 1.308 277 Y CB 0.689 39.157 38.460 0.013 0.000 1.216 277 Y HN 0.327 nan 8.280 nan 0.000 0.518 278 K N 2.222 122.719 120.400 0.162 0.000 2.323 278 K HA 0.533 4.853 4.320 -0.000 0.000 0.259 278 K C 0.261 176.944 176.600 0.139 0.000 0.947 278 K CA -0.453 55.906 56.287 0.120 0.000 0.819 278 K CB 1.813 34.367 32.500 0.090 0.000 1.109 278 K HN 0.789 nan 8.250 nan 0.000 0.429 279 A N 2.267 125.142 122.820 0.093 0.000 1.897 279 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 279 A C 0.737 178.317 177.584 -0.006 0.000 1.181 279 A CA 0.950 53.015 52.037 0.048 0.000 0.620 279 A CB 0.059 19.068 19.000 0.015 0.000 0.821 279 A HN 0.581 nan 8.150 nan 0.000 0.443 280 S N 0.598 116.311 115.700 0.023 0.000 2.531 280 S HA 0.227 4.697 4.470 -0.000 0.000 0.279 280 S C -0.451 174.227 174.600 0.129 0.000 1.305 280 S CA -0.228 57.977 58.200 0.008 0.000 1.058 280 S CB -0.096 63.126 63.200 0.036 0.000 0.899 280 S HN 0.563 nan 8.310 nan 0.000 0.493 281 H N 3.006 122.106 119.070 0.051 0.000 3.008 281 H HA 0.189 4.745 4.556 -0.000 0.000 0.268 281 H C -0.389 174.991 175.328 0.086 0.000 1.323 281 H CA -0.699 55.389 56.048 0.065 0.000 1.401 281 H CB -0.030 29.764 29.762 0.055 0.000 1.556 281 H HN 0.348 nan 8.280 nan 0.000 0.502 282 N N 4.424 123.249 118.700 0.209 0.000 2.678 282 N HA 0.182 4.922 4.740 -0.000 0.000 0.231 282 N C -0.460 175.159 175.510 0.182 0.000 1.038 282 N CA -0.192 52.952 53.050 0.157 0.000 0.932 282 N CB 0.737 39.293 38.487 0.115 0.000 1.176 282 N HN 0.520 nan 8.380 nan 0.000 0.511 283 I N 0.548 121.238 120.570 0.201 0.000 2.315 283 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 283 I C 1.256 177.481 176.117 0.180 0.000 1.006 283 I CA -0.839 60.611 61.300 0.250 0.000 1.265 283 I CB 1.137 39.333 38.000 0.326 0.000 1.387 283 I HN 0.266 nan 8.210 nan 0.000 0.475 284 G N 7.338 116.225 108.800 0.145 0.000 2.442 284 G HA2 0.408 4.368 3.960 -0.000 0.000 0.249 284 G HA3 0.408 4.368 3.960 -0.000 0.000 0.249 284 G C -0.228 174.727 174.900 0.092 0.000 1.263 284 G CA -0.370 44.785 45.100 0.092 0.000 0.846 284 G HN 0.425 nan 8.290 nan 0.000 0.555 285 I N 2.192 122.812 120.570 0.083 0.000 2.371 285 I HA 0.279 4.449 4.170 -0.000 0.000 0.282 285 I C 0.827 176.983 176.117 0.065 0.000 1.031 285 I CA -1.388 59.962 61.300 0.085 0.000 1.180 285 I CB 0.558 38.608 38.000 0.085 0.000 1.336 285 I HN 0.532 nan 8.210 nan 0.000 0.467 286 A N 8.724 131.576 122.820 0.053 0.000 2.515 286 A HA 0.434 4.754 4.320 -0.000 0.000 0.263 286 A C 0.344 177.959 177.584 0.051 0.000 1.096 286 A CA -0.006 52.058 52.037 0.044 0.000 0.769 286 A CB -0.099 18.916 19.000 0.026 0.000 1.040 286 A HN 0.789 nan 8.150 nan 0.000 0.505 287 M N 1.860 121.492 119.600 0.054 0.000 2.465 287 M HA 0.632 5.112 4.480 -0.000 0.000 0.316 287 M C -0.894 175.434 176.300 0.046 0.000 1.121 287 M CA -0.791 54.539 55.300 0.049 0.000 0.934 287 M CB 1.807 34.434 32.600 0.045 0.000 1.692 287 M HN 0.428 nan 8.290 nan 0.000 0.444 288 D N 2.418 122.842 120.400 0.040 0.000 2.308 288 D HA 0.554 5.194 4.640 -0.000 0.000 0.251 288 D C -0.596 175.720 176.300 0.027 0.000 1.127 288 D CA 0.500 54.522 54.000 0.036 0.000 0.876 288 D CB 1.204 42.024 40.800 0.033 0.000 1.176 288 D HN 0.879 nan 8.370 nan 0.000 0.446 289 T N -0.050 114.519 114.554 0.025 0.000 2.716 289 T HA 0.368 4.718 4.350 -0.000 0.000 0.286 289 T C 0.659 175.366 174.700 0.012 0.000 1.052 289 T CA -0.699 61.405 62.100 0.006 0.000 1.024 289 T CB 0.981 69.834 68.868 -0.024 0.000 1.349 289 T HN 0.316 nan 8.240 nan 0.000 0.525 290 E N 0.273 120.473 120.200 -0.001 0.000 2.502 290 E HA 0.015 4.365 4.350 -0.000 0.000 0.194 290 E C 0.574 177.191 176.600 0.029 0.000 1.062 290 E CA 0.244 56.651 56.400 0.011 0.000 0.867 290 E CB 0.154 29.856 29.700 0.004 0.000 0.888 290 E HN 0.426 nan 8.360 nan 0.000 0.510 291 Q N 0.079 119.888 119.800 0.016 0.000 2.225 291 Q HA 0.209 4.548 4.340 -0.000 0.000 0.259 291 Q C 0.938 177.016 176.000 0.130 0.000 0.872 291 Q CA 0.266 56.115 55.803 0.076 0.000 1.042 291 Q CB 0.598 29.304 28.738 -0.054 0.000 1.142 291 Q HN 0.221 nan 8.270 nan 0.000 0.463 292 G N 2.312 111.172 108.800 0.100 0.000 2.652 292 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.318 292 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.318 292 G C -0.350 174.611 174.900 0.102 0.000 1.295 292 G CA 0.517 45.677 45.100 0.100 0.000 0.999 292 G HN 0.477 nan 8.290 nan 0.000 0.548 293 L N 0.077 121.394 121.223 0.155 0.000 2.356 293 L HA 0.918 5.258 4.340 -0.000 0.000 0.277 293 L C -0.470 176.512 176.870 0.187 0.000 0.996 293 L CA -0.679 54.235 54.840 0.124 0.000 0.822 293 L CB 1.629 43.748 42.059 0.099 0.000 1.256 293 L HN 1.013 nan 8.230 nan 0.000 0.413 294 I N 4.176 124.834 120.570 0.147 0.000 2.913 294 I HA 0.615 4.785 4.170 -0.000 0.000 0.302 294 I C -1.435 174.750 176.117 0.114 0.000 1.246 294 I CA -0.647 60.766 61.300 0.187 0.000 1.010 294 I CB 2.525 40.609 38.000 0.140 0.000 1.259 294 I HN 0.346 nan 8.210 nan 0.000 0.434 295 V N 7.066 127.047 119.914 0.112 0.000 2.383 295 V HA 0.384 4.504 4.120 -0.000 0.000 0.261 295 V C -2.271 173.866 176.094 0.072 0.000 0.987 295 V CA -1.044 61.301 62.300 0.076 0.000 0.853 295 V CB 0.327 32.183 31.823 0.056 0.000 1.095 295 V HN 0.568 nan 8.190 nan 0.000 0.461 296 P HA 0.369 nan 4.420 nan 0.000 0.276 296 P C -0.962 176.375 177.300 0.062 0.000 1.261 296 P CA -0.209 62.926 63.100 0.058 0.000 0.800 296 P CB 1.319 33.046 31.700 0.045 0.000 1.066 297 N N -1.723 117.014 118.700 0.062 0.000 2.284 297 N HA 0.400 5.140 4.740 -0.000 0.000 0.289 297 N C -1.386 174.166 175.510 0.069 0.000 1.179 297 N CA -1.049 52.047 53.050 0.077 0.000 0.774 297 N CB 1.124 39.663 38.487 0.087 0.000 1.548 297 N HN -0.038 nan 8.380 nan 0.000 0.473 298 V N 1.542 121.505 119.914 0.083 0.000 2.389 298 V HA 0.223 4.343 4.120 -0.000 0.000 0.264 298 V C 0.203 176.344 176.094 0.077 0.000 1.049 298 V CA -0.682 61.658 62.300 0.067 0.000 0.932 298 V CB 0.288 32.153 31.823 0.069 0.000 1.011 298 V HN 0.572 nan 8.190 nan 0.000 0.475 299 K N 4.256 124.690 120.400 0.056 0.000 2.448 299 K HA 0.104 4.424 4.320 -0.000 0.000 0.278 299 K C 0.636 177.267 176.600 0.051 0.000 1.009 299 K CA 0.078 56.398 56.287 0.054 0.000 0.995 299 K CB 0.031 32.552 32.500 0.035 0.000 0.917 299 K HN 0.722 nan 8.250 nan 0.000 0.481 300 N N 1.065 119.797 118.700 0.054 0.000 2.696 300 N HA -0.167 4.573 4.740 -0.000 0.000 0.256 300 N C 0.724 176.256 175.510 0.035 0.000 1.031 300 N CA 0.452 53.516 53.050 0.023 0.000 0.730 300 N CB -1.304 37.184 38.487 0.001 0.000 0.894 300 N HN 0.305 nan 8.380 nan 0.000 0.544 301 V N 0.494 120.463 119.914 0.092 0.000 2.720 301 V HA -0.275 3.845 4.120 -0.000 0.000 0.256 301 V C 2.554 178.697 176.094 0.082 0.000 1.082 301 V CA 2.212 64.576 62.300 0.106 0.000 1.101 301 V CB -0.165 31.764 31.823 0.176 0.000 0.693 301 V HN 0.591 nan 8.190 nan 0.000 0.479 302 Q N 1.458 121.275 119.800 0.027 0.000 2.291 302 Q HA -0.162 4.178 4.340 -0.000 0.000 0.206 302 Q C 1.786 177.774 176.000 -0.021 0.000 0.976 302 Q CA 2.264 58.051 55.803 -0.026 0.000 0.875 302 Q CB -0.572 28.003 28.738 -0.271 0.000 0.927 302 Q HN 0.826 nan 8.270 nan 0.000 0.450 303 I N -3.163 117.396 120.570 -0.018 0.000 3.976 303 I HA 0.378 4.548 4.170 -0.000 0.000 0.337 303 I C 0.220 176.339 176.117 0.002 0.000 1.359 303 I CA -0.711 60.582 61.300 -0.012 0.000 1.098 303 I CB 0.412 38.401 38.000 -0.019 0.000 1.027 303 I HN -0.162 nan 8.210 nan 0.000 0.394 304 R N 1.657 122.163 120.500 0.010 0.000 2.604 304 R HA 0.514 4.854 4.340 -0.000 0.000 0.287 304 R C 0.160 176.466 176.300 0.010 0.000 0.970 304 R CA -0.483 55.622 56.100 0.009 0.000 0.946 304 R CB 1.934 32.236 30.300 0.003 0.000 1.127 304 R HN 0.373 nan 8.270 nan 0.000 0.473 305 S N 0.949 116.658 115.700 0.015 0.000 2.632 305 S HA 0.190 4.660 4.470 -0.000 0.000 0.267 305 S C 1.480 176.070 174.600 -0.017 0.000 1.276 305 S CA -0.710 57.502 58.200 0.018 0.000 0.998 305 S CB 0.669 63.906 63.200 0.061 0.000 0.953 305 S HN 0.601 nan 8.310 nan 0.000 0.547 306 I N 0.182 120.721 120.570 -0.051 0.000 2.248 306 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 306 I C 2.125 178.164 176.117 -0.130 0.000 1.107 306 I CA 1.710 62.910 61.300 -0.167 0.000 1.373 306 I CB -0.403 37.398 38.000 -0.332 0.000 1.055 306 I HN 0.737 nan 8.210 nan 0.000 0.418 307 F N 1.684 121.545 119.950 -0.149 0.000 2.146 307 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 307 F C 2.398 178.150 175.800 -0.079 0.000 1.096 307 F CA 1.740 59.674 58.000 -0.111 0.000 1.275 307 F CB -0.306 38.650 39.000 -0.074 0.000 1.008 307 F HN 0.038 nan 8.300 nan 0.000 0.480 308 E N 0.310 120.404 120.200 -0.176 0.000 2.110 308 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 308 E C 2.323 178.792 176.600 -0.218 0.000 0.988 308 E CA 1.658 57.925 56.400 -0.222 0.000 0.804 308 E CB -0.240 29.430 29.700 -0.050 0.000 0.745 308 E HN 0.482 nan 8.360 nan 0.000 0.458 309 I N 0.975 121.450 120.570 -0.158 0.000 2.252 309 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 309 I C 2.537 178.559 176.117 -0.160 0.000 1.102 309 I CA 0.907 62.139 61.300 -0.114 0.000 1.385 309 I CB -0.310 37.648 38.000 -0.069 0.000 1.064 309 I HN 0.088 nan 8.210 nan 0.000 0.414 310 A N 0.607 123.284 122.820 -0.238 0.000 1.877 310 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 310 A C 2.392 179.805 177.584 -0.286 0.000 1.186 310 A CA 2.512 54.403 52.037 -0.244 0.000 0.620 310 A CB -1.203 17.643 19.000 -0.258 0.000 0.822 310 A HN 0.391 nan 8.150 nan 0.000 0.443 311 T N -0.239 114.033 114.554 -0.470 0.000 2.624 311 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 311 T C 1.905 176.482 174.700 -0.206 0.000 1.041 311 T CA 1.978 63.844 62.100 -0.390 0.000 1.159 311 T CB -0.300 68.271 68.868 -0.495 0.000 0.863 311 T HN 0.663 nan 8.240 nan 0.000 0.434 312 E N 0.819 120.918 120.200 -0.168 0.000 2.106 312 E HA 0.010 4.360 4.350 -0.000 0.000 0.192 312 E C 2.081 178.644 176.600 -0.062 0.000 0.984 312 E CA 0.776 57.120 56.400 -0.092 0.000 0.806 312 E CB -0.614 29.046 29.700 -0.066 0.000 0.750 312 E HN 0.449 nan 8.360 nan 0.000 0.458 313 L N 0.535 121.718 121.223 -0.065 0.000 1.989 313 L HA -0.252 4.088 4.340 -0.000 0.000 0.211 313 L C 2.257 179.105 176.870 -0.036 0.000 1.071 313 L CA 1.840 56.659 54.840 -0.034 0.000 0.749 313 L CB -0.491 41.548 42.059 -0.033 0.000 0.890 313 L HN 0.314 nan 8.230 nan 0.000 0.431 314 N N -0.717 117.946 118.700 -0.062 0.000 2.036 314 N HA -0.301 4.439 4.740 -0.000 0.000 0.195 314 N C 1.948 177.432 175.510 -0.043 0.000 1.037 314 N CA 1.526 54.544 53.050 -0.052 0.000 0.855 314 N CB -0.183 38.259 38.487 -0.075 0.000 1.033 314 N HN 0.265 nan 8.380 nan 0.000 0.423 315 R N 1.309 121.777 120.500 -0.053 0.000 2.096 315 R HA -0.110 4.230 4.340 -0.000 0.000 0.240 315 R C 2.294 178.579 176.300 -0.025 0.000 1.139 315 R CA 1.167 57.244 56.100 -0.039 0.000 0.952 315 R CB -0.269 30.005 30.300 -0.042 0.000 0.854 315 R HN 0.224 nan 8.270 nan 0.000 0.436 316 L N 0.373 121.584 121.223 -0.019 0.000 2.083 316 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 316 L C 2.673 179.541 176.870 -0.004 0.000 1.083 316 L CA 1.416 56.252 54.840 -0.006 0.000 0.752 316 L CB -0.446 41.616 42.059 0.005 0.000 0.899 316 L HN 0.373 nan 8.230 nan 0.000 0.433 317 Q N 0.058 119.856 119.800 -0.004 0.000 2.061 317 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 317 Q C 2.237 178.233 176.000 -0.007 0.000 0.984 317 Q CA 1.637 57.439 55.803 -0.000 0.000 0.846 317 Q CB -0.050 28.689 28.738 0.003 0.000 0.902 317 Q HN 0.468 nan 8.270 nan 0.000 0.421 318 K N 0.318 120.711 120.400 -0.012 0.000 2.057 318 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 318 K C 2.119 178.708 176.600 -0.018 0.000 1.050 318 K CA 0.930 57.208 56.287 -0.014 0.000 0.935 318 K CB -0.081 32.410 32.500 -0.017 0.000 0.715 318 K HN 0.185 nan 8.250 nan 0.000 0.439 319 L N 0.149 121.360 121.223 -0.019 0.000 2.056 319 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 319 L C 2.604 179.454 176.870 -0.033 0.000 1.078 319 L CA 1.272 56.097 54.840 -0.025 0.000 0.749 319 L CB -0.889 41.157 42.059 -0.021 0.000 0.901 319 L HN 0.319 nan 8.230 nan 0.000 0.433 320 G N -0.675 108.109 108.800 -0.027 0.000 2.446 320 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.217 320 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.217 320 G C 1.821 176.698 174.900 -0.039 0.000 1.168 320 G CA 1.136 46.216 45.100 -0.033 0.000 0.771 320 G HN 0.404 nan 8.290 nan 0.000 0.551 321 S N 0.750 116.435 115.700 -0.024 0.000 2.423 321 S HA 0.224 4.694 4.470 -0.000 0.000 0.231 321 S C 2.386 176.969 174.600 -0.028 0.000 1.014 321 S CA 1.375 59.562 58.200 -0.021 0.000 0.965 321 S CB -0.277 62.917 63.200 -0.010 0.000 0.785 321 S HN 0.546 nan 8.310 nan 0.000 0.495 322 A N -0.044 122.756 122.820 -0.032 0.000 2.218 322 A HA 0.518 4.838 4.320 -0.000 0.000 0.209 322 A C 1.650 179.202 177.584 -0.053 0.000 1.168 322 A CA 0.691 52.707 52.037 -0.036 0.000 0.804 322 A CB -1.111 17.872 19.000 -0.029 0.000 0.834 322 A HN 1.448 nan 8.150 nan 0.000 0.482 323 G N -0.885 107.871 108.800 -0.073 0.000 2.176 323 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.252 323 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.252 323 G C 0.284 175.122 174.900 -0.103 0.000 1.024 323 G CA 0.496 45.529 45.100 -0.112 0.000 0.755 323 G HN 0.474 nan 8.290 nan 0.000 0.507 324 Q N -0.812 118.944 119.800 -0.073 0.000 2.135 324 Q HA 0.312 4.652 4.340 -0.000 0.000 0.222 324 Q C 1.225 177.200 176.000 -0.041 0.000 0.808 324 Q CA -0.151 55.620 55.803 -0.053 0.000 1.049 324 Q CB 0.666 29.381 28.738 -0.038 0.000 1.168 324 Q HN 0.641 nan 8.270 nan 0.000 0.483 325 L N 2.125 123.320 121.223 -0.046 0.000 2.485 325 L HA 0.040 4.380 4.340 -0.000 0.000 0.275 325 L C 0.970 177.833 176.870 -0.012 0.000 1.207 325 L CA 0.214 55.040 54.840 -0.023 0.000 0.855 325 L CB 0.290 42.338 42.059 -0.018 0.000 1.114 325 L HN 0.088 nan 8.230 nan 0.000 0.485 326 S N 0.286 115.988 115.700 0.003 0.000 2.745 326 S HA 0.313 4.783 4.470 -0.000 0.000 0.292 326 S C 0.905 175.520 174.600 0.025 0.000 1.133 326 S CA -0.532 57.674 58.200 0.010 0.000 0.998 326 S CB 1.567 64.771 63.200 0.007 0.000 1.087 326 S HN 0.598 nan 8.310 nan 0.000 0.551 327 T N 1.381 115.952 114.554 0.028 0.000 2.788 327 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 327 T C 1.695 176.414 174.700 0.033 0.000 1.044 327 T CA 1.614 63.735 62.100 0.036 0.000 1.139 327 T CB -0.761 68.126 68.868 0.031 0.000 0.867 327 T HN 0.754 nan 8.240 nan 0.000 0.454 328 N N 0.622 119.337 118.700 0.025 0.000 2.309 328 N HA -0.141 4.599 4.740 -0.000 0.000 0.182 328 N C 0.988 176.515 175.510 0.027 0.000 1.018 328 N CA 0.871 53.935 53.050 0.024 0.000 0.876 328 N CB 0.024 38.522 38.487 0.018 0.000 0.972 328 N HN 0.281 nan 8.380 nan 0.000 0.434 329 D N 0.394 120.810 120.400 0.027 0.000 2.264 329 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 329 D C 1.466 177.791 176.300 0.041 0.000 0.966 329 D CA 0.521 54.539 54.000 0.030 0.000 0.864 329 D CB 0.242 41.056 40.800 0.022 0.000 0.933 329 D HN 0.274 nan 8.370 nan 0.000 0.499 330 L N 0.383 121.634 121.223 0.047 0.000 2.515 330 L HA 0.238 4.578 4.340 -0.000 0.000 0.223 330 L C 1.118 178.019 176.870 0.051 0.000 1.079 330 L CA 0.244 55.120 54.840 0.059 0.000 0.857 330 L CB -0.290 41.815 42.059 0.077 0.000 1.050 330 L HN 0.020 nan 8.230 nan 0.000 0.476 331 I N -3.688 116.908 120.570 0.043 0.000 2.934 331 I HA 0.646 4.816 4.170 -0.000 0.000 0.315 331 I C 1.327 177.468 176.117 0.041 0.000 0.997 331 I CA -0.109 61.213 61.300 0.037 0.000 1.184 331 I CB 0.780 38.798 38.000 0.031 0.000 1.400 331 I HN 0.221 nan 8.210 nan 0.000 0.549 332 G N 1.943 110.766 108.800 0.039 0.000 2.176 332 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.253 332 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.253 332 G C 0.549 175.484 174.900 0.058 0.000 0.979 332 G CA -0.090 45.037 45.100 0.044 0.000 0.641 332 G HN 1.337 nan 8.290 nan 0.000 0.530 333 G N -0.212 108.623 108.800 0.059 0.000 2.432 333 G HA2 0.516 4.476 3.960 -0.000 0.000 0.239 333 G HA3 0.516 4.476 3.960 -0.000 0.000 0.239 333 G C 1.034 175.985 174.900 0.084 0.000 1.291 333 G CA 1.177 46.323 45.100 0.077 0.000 0.863 333 G HN 1.310 nan 8.290 nan 0.000 0.560 334 T N -1.336 113.294 114.554 0.127 0.000 2.975 334 T HA 0.410 4.760 4.350 -0.000 0.000 0.261 334 T C -0.051 174.779 174.700 0.218 0.000 0.984 334 T CA -0.141 62.043 62.100 0.141 0.000 0.911 334 T CB 0.145 69.104 68.868 0.152 0.000 1.127 334 T HN 0.612 nan 8.240 nan 0.000 0.514 335 F N 0.833 120.795 119.950 0.020 0.000 2.725 335 F HA 0.515 5.042 4.527 0.000 0.000 0.311 335 F C -1.991 173.840 175.800 0.051 0.000 1.121 335 F CA -0.400 57.605 58.000 0.009 0.000 0.978 335 F CB 1.463 40.451 39.000 -0.020 0.000 1.274 335 F HN -0.043 nan 8.300 nan 0.000 0.440 336 T N 5.438 119.656 114.554 -0.561 0.000 2.893 336 T HA 0.696 5.046 4.350 -0.000 0.000 0.293 336 T C -1.175 173.355 174.700 -0.283 0.000 1.027 336 T CA -0.625 61.330 62.100 -0.242 0.000 0.988 336 T CB 1.816 70.591 68.868 -0.155 0.000 1.043 336 T HN 0.531 nan 8.240 nan 0.000 0.461 337 L N 1.805 123.016 121.223 -0.020 0.000 2.334 337 L HA 0.723 5.063 4.340 -0.000 0.000 0.276 337 L C 0.115 176.997 176.870 0.019 0.000 1.014 337 L CA -0.857 53.997 54.840 0.024 0.000 0.815 337 L CB 1.996 44.170 42.059 0.192 0.000 1.268 337 L HN 0.568 nan 8.230 nan 0.000 0.428 338 S N 1.795 117.481 115.700 -0.024 0.000 2.669 338 S HA 0.240 4.710 4.470 -0.000 0.000 0.315 338 S C -0.262 174.342 174.600 0.007 0.000 1.106 338 S CA -0.686 57.511 58.200 -0.005 0.000 1.107 338 S CB 0.346 63.523 63.200 -0.038 0.000 0.990 338 S HN 0.588 nan 8.310 nan 0.000 0.471 339 N N 4.892 123.632 118.700 0.067 0.000 3.050 339 N HA 0.089 4.829 4.740 -0.000 0.000 0.289 339 N C 0.808 176.349 175.510 0.052 0.000 1.209 339 N CA -0.347 52.758 53.050 0.092 0.000 1.154 339 N CB -0.273 38.319 38.487 0.174 0.000 1.444 339 N HN 0.682 nan 8.380 nan 0.000 0.529 340 I N 0.855 121.430 120.570 0.008 0.000 2.700 340 I HA 0.011 4.181 4.170 -0.000 0.000 0.261 340 I C 1.865 177.985 176.117 0.004 0.000 1.219 340 I CA 0.742 62.043 61.300 0.001 0.000 1.463 340 I CB -0.502 37.485 38.000 -0.022 0.000 1.092 340 I HN 0.465 nan 8.210 nan 0.000 0.452 341 G N -0.533 108.271 108.800 0.007 0.000 2.509 341 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 341 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 341 G C 1.662 176.584 174.900 0.036 0.000 1.124 341 G CA 0.819 45.922 45.100 0.004 0.000 0.776 341 G HN 0.556 nan 8.290 nan 0.000 0.547 342 S N 0.237 115.975 115.700 0.063 0.000 2.419 342 S HA -0.011 4.459 4.470 -0.000 0.000 0.233 342 S C 2.116 176.742 174.600 0.044 0.000 1.016 342 S CA 1.006 59.248 58.200 0.070 0.000 0.974 342 S CB -0.171 63.078 63.200 0.082 0.000 0.786 342 S HN 0.399 nan 8.310 nan 0.000 0.492 343 I N 0.734 121.321 120.570 0.029 0.000 2.685 343 I HA 0.400 4.570 4.170 -0.000 0.000 0.251 343 I C 1.409 177.529 176.117 0.005 0.000 1.102 343 I CA 0.580 61.890 61.300 0.017 0.000 1.442 343 I CB 0.024 38.032 38.000 0.014 0.000 1.194 343 I HN 0.520 nan 8.210 nan 0.000 0.448 344 G N -0.622 108.175 108.800 -0.005 0.000 2.441 344 G HA2 0.508 4.468 3.960 -0.000 0.000 0.294 344 G HA3 0.508 4.468 3.960 -0.000 0.000 0.294 344 G C -0.929 173.949 174.900 -0.036 0.000 1.393 344 G CA -0.061 45.027 45.100 -0.020 0.000 0.796 344 G HN 0.548 nan 8.290 nan 0.000 0.494 345 G N -2.298 106.472 108.800 -0.050 0.000 2.515 345 G HA2 0.522 4.482 3.960 -0.000 0.000 0.686 345 G HA3 0.522 4.482 3.960 -0.000 0.000 0.686 345 G C 0.296 175.128 174.900 -0.115 0.000 1.274 345 G CA 0.658 45.718 45.100 -0.068 0.000 0.874 345 G HN 2.116 nan 8.290 nan 0.000 0.631 346 T N -2.398 112.070 114.554 -0.143 0.000 3.257 346 T HA 0.520 4.870 4.350 -0.000 0.000 0.176 346 T C 0.863 175.341 174.700 -0.370 0.000 0.892 346 T CA 0.535 62.463 62.100 -0.288 0.000 1.147 346 T CB 0.158 68.855 68.868 -0.285 0.000 1.840 346 T HN 0.766 nan 8.240 nan 0.000 0.375 347 Y N 2.153 122.398 120.300 -0.091 0.000 2.334 347 Y HA 0.737 5.287 4.550 0.000 0.000 0.325 347 Y C 0.716 176.555 175.900 -0.102 0.000 1.308 347 Y CA -0.264 57.769 58.100 -0.111 0.000 1.389 347 Y CB 0.727 39.123 38.460 -0.106 0.000 1.328 347 Y HN 0.886 nan 8.280 nan 0.000 0.532 348 A N 1.001 123.866 122.820 0.074 0.000 2.581 348 A HA 0.605 4.925 4.320 -0.000 0.000 0.290 348 A C -1.570 176.001 177.584 -0.022 0.000 1.119 348 A CA -0.990 51.046 52.037 -0.001 0.000 0.670 348 A CB 1.844 20.820 19.000 -0.040 0.000 1.280 348 A HN 0.509 nan 8.150 nan 0.000 0.425 349 K N 2.006 122.386 120.400 -0.032 0.000 2.530 349 K HA 0.384 4.704 4.320 -0.000 0.000 0.230 349 K C -2.610 173.972 176.600 -0.030 0.000 1.002 349 K CA -1.440 54.826 56.287 -0.035 0.000 1.014 349 K CB 0.940 33.413 32.500 -0.045 0.000 1.286 349 K HN 0.647 nan 8.250 nan 0.000 0.480 350 P HA 0.115 nan 4.420 nan 0.000 0.274 350 P C -0.381 176.948 177.300 0.048 0.000 1.231 350 P CA -0.507 62.587 63.100 -0.010 0.000 0.790 350 P CB 1.123 32.801 31.700 -0.036 0.000 0.951 351 V N 3.670 123.612 119.914 0.047 0.000 2.394 351 V HA 0.212 4.332 4.120 -0.000 0.000 0.282 351 V C 0.954 177.163 176.094 0.192 0.000 1.031 351 V CA -0.732 61.647 62.300 0.132 0.000 0.881 351 V CB 0.832 32.668 31.823 0.021 0.000 0.982 351 V HN 0.417 nan 8.190 nan 0.000 0.451 352 I N 5.305 126.083 120.570 0.347 0.000 2.692 352 I HA 0.036 4.206 4.170 -0.000 0.000 0.284 352 I C -0.353 175.791 176.117 0.046 0.000 1.159 352 I CA -0.131 61.195 61.300 0.043 0.000 1.423 352 I CB 0.494 38.372 38.000 -0.203 0.000 1.380 352 I HN 0.294 nan 8.210 nan 0.000 0.580 353 L N 9.022 130.240 121.223 -0.009 0.000 2.270 353 L HA 0.372 4.712 4.340 -0.000 0.000 0.286 353 L C -2.093 174.769 176.870 -0.013 0.000 1.059 353 L CA -2.371 52.466 54.840 -0.004 0.000 0.839 353 L CB -0.307 41.745 42.059 -0.012 0.000 1.221 353 L HN 0.250 nan 8.230 nan 0.000 0.431 354 P HA 0.042 nan 4.420 nan 0.000 0.263 354 P C -1.866 175.429 177.300 -0.010 0.000 1.175 354 P CA -0.494 62.600 63.100 -0.010 0.000 0.761 354 P CB -0.039 31.660 31.700 -0.002 0.000 0.794 355 P HA 0.159 nan 4.420 nan 0.000 0.254 355 P C -0.142 177.143 177.300 -0.026 0.000 1.494 355 P CA 0.107 63.196 63.100 -0.018 0.000 0.961 355 P CB 0.470 32.161 31.700 -0.015 0.000 1.493 356 E N -0.010 120.176 120.200 -0.024 0.000 2.369 356 E HA 0.175 4.525 4.350 -0.000 0.000 0.255 356 E C 0.933 177.500 176.600 -0.055 0.000 1.172 356 E CA -0.441 55.944 56.400 -0.026 0.000 0.932 356 E CB 1.153 30.839 29.700 -0.023 0.000 1.040 356 E HN -0.080 nan 8.360 nan 0.000 0.454 357 V N -2.951 116.930 119.914 -0.055 0.000 3.432 357 V HA 0.615 4.735 4.120 -0.000 0.000 0.298 357 V C 0.108 176.147 176.094 -0.092 0.000 1.464 357 V CA 0.181 62.432 62.300 -0.082 0.000 1.046 357 V CB 0.155 31.929 31.823 -0.081 0.000 0.887 357 V HN 0.558 nan 8.190 nan 0.000 0.441 358 A N 0.174 122.940 122.820 -0.090 0.000 2.612 358 A HA 0.901 5.221 4.320 -0.000 0.000 0.293 358 A C -1.517 175.895 177.584 -0.287 0.000 1.075 358 A CA -0.413 51.558 52.037 -0.111 0.000 0.680 358 A CB 2.317 21.311 19.000 -0.011 0.000 1.279 358 A HN 0.693 nan 8.150 nan 0.000 0.411 359 I N 0.071 120.519 120.570 -0.204 0.000 2.841 359 I HA 0.712 4.882 4.170 -0.000 0.000 0.298 359 I C -0.308 175.780 176.117 -0.048 0.000 1.304 359 I CA -0.473 60.655 61.300 -0.286 0.000 1.019 359 I CB 2.239 40.136 38.000 -0.171 0.000 1.282 359 I HN 0.999 nan 8.210 nan 0.000 0.432 360 G N 5.018 113.734 108.800 -0.140 0.000 2.470 360 G HA2 0.752 4.712 3.960 -0.000 0.000 0.320 360 G HA3 0.752 4.712 3.960 -0.000 0.000 0.320 360 G C -1.266 173.391 174.900 -0.404 0.000 1.245 360 G CA -0.502 44.330 45.100 -0.448 0.000 0.935 360 G HN 0.819 nan 8.290 nan 0.000 0.476 361 A N 2.441 125.017 122.820 -0.406 0.000 2.292 361 A HA 0.745 5.065 4.320 -0.000 0.000 0.319 361 A C -0.635 176.750 177.584 -0.332 0.000 1.206 361 A CA -0.499 51.374 52.037 -0.274 0.000 0.835 361 A CB 0.851 19.751 19.000 -0.166 0.000 1.164 361 A HN 0.526 nan 8.150 nan 0.000 0.505 362 L N 2.600 123.690 121.223 -0.222 0.000 2.307 362 L HA 0.610 4.950 4.340 -0.000 0.000 0.284 362 L C 0.987 177.773 176.870 -0.141 0.000 1.023 362 L CA -0.078 54.635 54.840 -0.211 0.000 0.810 362 L CB 0.660 42.634 42.059 -0.142 0.000 1.231 362 L HN 0.859 nan 8.230 nan 0.000 0.423 363 G N 1.583 110.275 108.800 -0.181 0.000 2.532 363 G HA2 0.441 4.401 3.960 -0.000 0.000 0.291 363 G HA3 0.441 4.401 3.960 -0.000 0.000 0.291 363 G C -0.505 174.324 174.900 -0.118 0.000 1.349 363 G CA -0.313 44.689 45.100 -0.163 0.000 1.038 363 G HN 0.481 nan 8.290 nan 0.000 0.518 364 T N 0.904 115.391 114.554 -0.110 0.000 2.814 364 T HA 0.235 4.585 4.350 -0.000 0.000 0.297 364 T C 0.688 175.319 174.700 -0.115 0.000 0.956 364 T CA 0.152 62.203 62.100 -0.082 0.000 1.123 364 T CB 0.362 69.193 68.868 -0.062 0.000 0.902 364 T HN 0.252 nan 8.240 nan 0.000 0.528 365 I N 3.835 124.331 120.570 -0.123 0.000 2.598 365 I HA 0.191 4.361 4.170 -0.000 0.000 0.284 365 I C 0.637 176.687 176.117 -0.112 0.000 1.140 365 I CA 0.425 61.629 61.300 -0.159 0.000 1.420 365 I CB 0.141 37.978 38.000 -0.272 0.000 1.387 365 I HN 0.377 nan 8.210 nan 0.000 0.553 366 K N 4.720 125.056 120.400 -0.107 0.000 2.498 366 K HA 0.701 5.021 4.320 -0.000 0.000 0.254 366 K C -1.085 175.469 176.600 -0.076 0.000 0.933 366 K CA -0.770 55.468 56.287 -0.081 0.000 0.806 366 K CB 2.038 34.486 32.500 -0.086 0.000 1.301 366 K HN 0.649 nan 8.250 nan 0.000 0.432 367 A N 4.813 127.597 122.820 -0.059 0.000 2.347 367 A HA 0.453 4.773 4.320 -0.000 0.000 0.287 367 A C -0.765 176.783 177.584 -0.061 0.000 1.199 367 A CA -0.227 51.777 52.037 -0.056 0.000 0.851 367 A CB -0.243 18.732 19.000 -0.042 0.000 1.118 367 A HN 0.605 nan 8.150 nan 0.000 0.525 368 L N 3.879 125.060 121.223 -0.070 0.000 2.354 368 L HA 0.450 4.790 4.340 -0.000 0.000 0.269 368 L C -2.449 174.366 176.870 -0.092 0.000 1.005 368 L CA -2.395 52.398 54.840 -0.078 0.000 0.819 368 L CB 2.590 44.601 42.059 -0.081 0.000 1.311 368 L HN 0.402 nan 8.230 nan 0.000 0.423 369 P HA 0.262 nan 4.420 nan 0.000 0.271 369 P C -1.035 176.135 177.300 -0.217 0.000 1.220 369 P CA -0.242 62.768 63.100 -0.150 0.000 0.768 369 P CB 0.650 32.257 31.700 -0.155 0.000 0.848 370 R N 2.133 122.492 120.500 -0.236 0.000 2.739 370 R HA 0.459 4.799 4.340 -0.000 0.000 0.271 370 R C -0.690 175.450 176.300 -0.267 0.000 1.010 370 R CA -0.840 55.097 56.100 -0.270 0.000 0.897 370 R CB 0.943 31.173 30.300 -0.116 0.000 1.236 370 R HN 0.288 nan 8.270 nan 0.000 0.466 371 F N 1.970 121.917 119.950 -0.004 0.000 2.412 371 F HA 0.159 4.686 4.527 0.000 0.000 0.348 371 F C 1.456 177.254 175.800 -0.004 0.000 1.102 371 F CA -0.499 57.499 58.000 -0.003 0.000 1.196 371 F CB 0.374 39.374 39.000 -0.000 0.000 1.144 371 F HN 0.461 nan 8.300 nan 0.000 0.541 372 N N 1.215 120.035 118.700 0.200 0.000 2.366 372 N HA 0.067 4.807 4.740 -0.000 0.000 0.277 372 N C 0.487 176.053 175.510 0.094 0.000 1.275 372 N CA -0.393 52.723 53.050 0.110 0.000 0.964 372 N CB 0.144 38.672 38.487 0.067 0.000 1.167 372 N HN 0.607 nan 8.380 nan 0.000 0.568 373 E N -0.804 119.428 120.200 0.053 0.000 2.204 373 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 373 E C 0.920 177.529 176.600 0.015 0.000 0.989 373 E CA 1.038 57.457 56.400 0.032 0.000 0.824 373 E CB -0.071 29.643 29.700 0.024 0.000 0.756 373 E HN 0.552 nan 8.360 nan 0.000 0.477 374 K N -0.558 119.855 120.400 0.021 0.000 2.486 374 K HA 0.070 4.390 4.320 -0.000 0.000 0.194 374 K C 1.052 177.646 176.600 -0.009 0.000 1.033 374 K CA 0.545 56.837 56.287 0.008 0.000 1.004 374 K CB 0.342 32.853 32.500 0.018 0.000 0.798 374 K HN 0.196 nan 8.250 nan 0.000 0.495 375 G N 2.340 111.137 108.800 -0.005 0.000 2.176 375 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.252 375 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.252 375 G C -0.588 174.353 174.900 0.070 0.000 1.024 375 G CA 0.051 45.102 45.100 -0.083 0.000 0.755 375 G HN 0.419 nan 8.290 nan 0.000 0.507 376 E N -0.654 119.643 120.200 0.162 0.000 2.277 376 E HA 0.492 4.842 4.350 -0.000 0.000 0.274 376 E C 0.411 177.175 176.600 0.274 0.000 1.022 376 E CA -0.926 55.588 56.400 0.189 0.000 0.853 376 E CB 2.028 31.785 29.700 0.094 0.000 1.086 376 E HN 0.086 nan 8.360 nan 0.000 0.397 377 V N 3.056 123.089 119.914 0.198 0.000 2.470 377 V HA 0.071 4.191 4.120 -0.000 0.000 0.276 377 V C 0.334 176.423 176.094 -0.008 0.000 1.040 377 V CA -0.360 61.950 62.300 0.017 0.000 1.008 377 V CB -0.502 31.299 31.823 -0.038 0.000 0.990 377 V HN 0.835 nan 8.190 nan 0.000 0.477 378 C N 3.424 122.698 119.300 -0.044 0.000 2.971 378 C HA 0.697 5.157 4.460 -0.000 0.000 0.310 378 C C -0.232 174.727 174.990 -0.052 0.000 1.285 378 C CA -1.614 57.387 59.018 -0.028 0.000 1.593 378 C CB 1.513 29.251 27.740 -0.003 0.000 2.076 378 C HN 0.851 nan 8.230 nan 0.000 0.472 379 K N 1.540 121.917 120.400 -0.038 0.000 2.349 379 K HA 0.554 4.874 4.320 -0.000 0.000 0.289 379 K C -0.056 176.517 176.600 -0.044 0.000 1.064 379 K CA 0.213 56.474 56.287 -0.043 0.000 0.947 379 K CB 0.314 32.795 32.500 -0.032 0.000 1.007 379 K HN 0.985 nan 8.250 nan 0.000 0.478 380 A N 4.482 127.268 122.820 -0.056 0.000 2.330 380 A HA 0.305 4.625 4.320 -0.000 0.000 0.327 380 A C -0.954 176.594 177.584 -0.061 0.000 1.155 380 A CA -0.840 51.165 52.037 -0.054 0.000 0.803 380 A CB 1.146 20.111 19.000 -0.058 0.000 1.208 380 A HN 0.673 nan 8.150 nan 0.000 0.477 381 Q N 2.311 122.074 119.800 -0.062 0.000 2.377 381 Q HA 0.314 4.654 4.340 -0.000 0.000 0.249 381 Q C -0.719 175.224 176.000 -0.096 0.000 1.005 381 Q CA -0.016 55.740 55.803 -0.078 0.000 0.912 381 Q CB 1.033 29.726 28.738 -0.075 0.000 1.223 381 Q HN 0.549 nan 8.270 nan 0.000 0.459 382 I N 2.918 123.427 120.570 -0.102 0.000 2.377 382 I HA 0.426 4.596 4.170 -0.000 0.000 0.293 382 I C 0.059 176.094 176.117 -0.136 0.000 0.987 382 I CA -0.584 60.652 61.300 -0.106 0.000 1.185 382 I CB 1.453 39.398 38.000 -0.093 0.000 1.341 382 I HN 0.495 nan 8.210 nan 0.000 0.455 383 M N 5.982 125.495 119.600 -0.143 0.000 2.383 383 M HA 0.421 4.901 4.480 -0.000 0.000 0.325 383 M C -0.938 175.248 176.300 -0.190 0.000 1.092 383 M CA -0.488 54.707 55.300 -0.174 0.000 0.961 383 M CB 1.897 34.390 32.600 -0.179 0.000 1.672 383 M HN 0.503 nan 8.290 nan 0.000 0.438 384 N N 1.715 120.246 118.700 -0.282 0.000 2.509 384 N HA 0.518 5.258 4.740 -0.000 0.000 0.287 384 N C -1.441 173.905 175.510 -0.274 0.000 1.121 384 N CA -0.540 52.285 53.050 -0.375 0.000 0.977 384 N CB 2.236 40.201 38.487 -0.870 0.000 1.167 384 N HN 0.356 nan 8.380 nan 0.000 0.476 385 V N 1.034 120.838 119.914 -0.183 0.000 2.656 385 V HA 0.577 4.697 4.120 -0.000 0.000 0.307 385 V C -1.100 174.798 176.094 -0.327 0.000 1.051 385 V CA -0.319 61.778 62.300 -0.339 0.000 0.893 385 V CB 1.774 33.370 31.823 -0.379 0.000 0.999 385 V HN 0.696 nan 8.190 nan 0.000 0.426 386 S N 6.085 121.501 115.700 -0.474 0.000 2.659 386 S HA 0.558 5.028 4.470 -0.000 0.000 0.312 386 S C -1.332 173.027 174.600 -0.401 0.000 1.114 386 S CA -0.405 57.620 58.200 -0.292 0.000 1.063 386 S CB 0.914 64.046 63.200 -0.113 0.000 0.996 386 S HN 0.723 nan 8.310 nan 0.000 0.478 387 W N 1.762 123.055 121.300 -0.011 0.000 2.469 387 W HA 0.584 5.244 4.660 0.000 0.000 0.320 387 W C 0.276 176.764 176.519 -0.051 0.000 1.086 387 W CA -0.525 56.811 57.345 -0.015 0.000 1.211 387 W CB 1.238 30.747 29.460 0.082 0.000 1.298 387 W HN 0.390 nan 8.180 nan 0.000 0.525 388 S N 1.791 117.594 115.700 0.173 0.000 2.482 388 S HA 0.871 5.340 4.470 -0.000 0.000 0.303 388 S C -0.587 174.050 174.600 0.061 0.000 1.091 388 S CA -0.727 57.536 58.200 0.106 0.000 1.057 388 S CB 1.497 64.792 63.200 0.160 0.000 1.031 388 S HN 0.528 nan 8.310 nan 0.000 0.485 389 A N 1.551 124.404 122.820 0.055 0.000 2.475 389 A HA 0.605 4.925 4.320 -0.000 0.000 0.301 389 A C -1.091 176.483 177.584 -0.017 0.000 1.059 389 A CA -0.741 51.298 52.037 0.004 0.000 0.710 389 A CB 1.003 20.022 19.000 0.032 0.000 1.288 389 A HN 0.650 nan 8.150 nan 0.000 0.408 390 D N 0.886 121.234 120.400 -0.086 0.000 2.357 390 D HA -0.011 4.629 4.640 -0.000 0.000 0.265 390 D C 0.594 176.913 176.300 0.031 0.000 1.334 390 D CA 0.377 54.340 54.000 -0.062 0.000 0.984 390 D CB 0.091 40.840 40.800 -0.085 0.000 1.077 390 D HN 0.562 nan 8.370 nan 0.000 0.514 391 H N 4.228 123.307 119.070 0.015 0.000 2.563 391 H HA 0.072 4.628 4.556 -0.000 0.000 0.272 391 H C 1.364 176.671 175.328 -0.035 0.000 1.005 391 H CA 0.571 56.615 56.048 -0.007 0.000 1.171 391 H CB 0.365 30.132 29.762 0.007 0.000 1.351 391 H HN 0.456 nan 8.280 nan 0.000 0.602 392 R N -0.256 120.316 120.500 0.121 0.000 2.090 392 R HA -0.038 4.302 4.340 -0.000 0.000 0.228 392 R C 1.766 178.096 176.300 0.050 0.000 1.110 392 R CA 1.770 57.908 56.100 0.063 0.000 0.973 392 R CB 0.221 30.535 30.300 0.023 0.000 0.869 392 R HN 0.398 nan 8.270 nan 0.000 0.440 393 I N -3.628 116.955 120.570 0.022 0.000 4.403 393 I HA 0.282 4.452 4.170 -0.000 0.000 0.331 393 I C 0.114 176.208 176.117 -0.039 0.000 1.327 393 I CA -0.163 61.131 61.300 -0.010 0.000 1.175 393 I CB 0.756 38.730 38.000 -0.043 0.000 1.165 393 I HN -0.194 nan 8.210 nan 0.000 0.413 394 I N 3.754 124.276 120.570 -0.080 0.000 2.362 394 I HA 0.299 4.469 4.170 -0.000 0.000 0.289 394 I C -0.773 175.109 176.117 -0.392 0.000 0.994 394 I CA -0.754 60.444 61.300 -0.171 0.000 1.158 394 I CB 1.116 39.022 38.000 -0.157 0.000 1.315 394 I HN 0.173 nan 8.210 nan 0.000 0.451 395 D N 4.492 124.688 120.400 -0.340 0.000 2.388 395 D HA 0.227 4.867 4.640 -0.000 0.000 0.254 395 D C 1.232 177.225 176.300 -0.512 0.000 1.111 395 D CA -0.676 53.037 54.000 -0.479 0.000 0.993 395 D CB 1.258 41.969 40.800 -0.148 0.000 1.118 395 D HN 0.525 nan 8.370 nan 0.000 0.502 396 G N -0.233 108.236 108.800 -0.553 0.000 2.418 396 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 396 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 396 G C 1.441 176.233 174.900 -0.181 0.000 1.158 396 G CA 1.229 46.111 45.100 -0.363 0.000 0.771 396 G HN 0.671 nan 8.290 nan 0.000 0.545 397 A N 0.396 123.124 122.820 -0.153 0.000 1.902 397 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 397 A C 2.536 180.009 177.584 -0.184 0.000 1.181 397 A CA 2.502 54.467 52.037 -0.119 0.000 0.623 397 A CB -1.046 17.924 19.000 -0.049 0.000 0.818 397 A HN 0.298 nan 8.150 nan 0.000 0.443 398 T N -0.170 114.273 114.554 -0.186 0.000 2.684 398 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 398 T C 1.886 176.303 174.700 -0.472 0.000 1.036 398 T CA 1.792 63.729 62.100 -0.271 0.000 1.148 398 T CB -0.536 68.244 68.868 -0.146 0.000 0.863 398 T HN 0.175 nan 8.240 nan 0.000 0.436 399 V N 1.129 120.821 119.914 -0.370 0.000 2.343 399 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 399 V C 2.701 178.434 176.094 -0.600 0.000 1.051 399 V CA 1.942 63.992 62.300 -0.416 0.000 1.036 399 V CB -0.833 30.854 31.823 -0.226 0.000 0.654 399 V HN 0.500 nan 8.190 nan 0.000 0.451 400 S N -0.351 114.927 115.700 -0.702 0.000 2.355 400 S HA -0.189 4.281 4.470 -0.000 0.000 0.222 400 S C 2.208 176.577 174.600 -0.385 0.000 1.031 400 S CA 1.495 59.205 58.200 -0.816 0.000 0.993 400 S CB -0.203 62.689 63.200 -0.512 0.000 0.859 400 S HN 0.548 nan 8.310 nan 0.000 0.453 401 R N -0.496 119.789 120.500 -0.359 0.000 2.081 401 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 401 R C 2.183 178.205 176.300 -0.464 0.000 1.131 401 R CA 1.765 57.689 56.100 -0.294 0.000 0.960 401 R CB -0.661 29.537 30.300 -0.170 0.000 0.856 401 R HN 0.590 nan 8.270 nan 0.000 0.436 402 F N 1.156 120.457 119.950 -1.083 0.000 2.126 402 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 402 F C 2.522 178.099 175.800 -0.371 0.000 1.096 402 F CA 1.844 59.327 58.000 -0.863 0.000 1.255 402 F CB -0.527 37.905 39.000 -0.946 0.000 0.997 402 F HN -0.100 nan 8.300 nan 0.000 0.479 403 S N 0.355 115.729 115.700 -0.543 0.000 2.368 403 S HA -0.197 4.273 4.470 -0.000 0.000 0.225 403 S C 1.923 176.545 174.600 0.035 0.000 1.030 403 S CA 1.643 59.655 58.200 -0.313 0.000 0.999 403 S CB -0.577 62.661 63.200 0.063 0.000 0.844 403 S HN 0.526 nan 8.310 nan 0.000 0.459 404 N N 1.293 119.998 118.700 0.009 0.000 2.166 404 N HA -0.039 4.701 4.740 -0.000 0.000 0.186 404 N C 1.576 177.112 175.510 0.044 0.000 1.019 404 N CA 0.958 54.054 53.050 0.077 0.000 0.856 404 N CB -0.712 37.811 38.487 0.059 0.000 0.993 404 N HN 0.345 nan 8.380 nan 0.000 0.426 405 L N -0.287 120.930 121.223 -0.009 0.000 1.994 405 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 405 L C 2.114 179.004 176.870 0.032 0.000 1.071 405 L CA 1.522 56.353 54.840 -0.015 0.000 0.745 405 L CB -1.076 41.053 42.059 0.116 0.000 0.892 405 L HN 0.269 nan 8.230 nan 0.000 0.431 406 W N 1.094 122.275 121.300 -0.198 0.000 2.302 406 W HA -0.337 4.323 4.660 -0.000 0.000 0.320 406 W C 2.794 179.377 176.519 0.107 0.000 1.241 406 W CA 3.028 60.348 57.345 -0.042 0.000 1.264 406 W CB -0.301 28.977 29.460 -0.303 0.000 1.154 406 W HN 0.244 nan 8.180 nan 0.000 0.483 407 K N 0.218 120.753 120.400 0.225 0.000 2.097 407 K HA -0.198 4.122 4.320 -0.000 0.000 0.205 407 K C 2.354 178.934 176.600 -0.033 0.000 1.050 407 K CA 2.121 58.437 56.287 0.049 0.000 0.938 407 K CB -0.607 32.028 32.500 0.223 0.000 0.718 407 K HN 0.219 nan 8.250 nan 0.000 0.442 408 S N -0.373 115.327 115.700 0.000 0.000 2.382 408 S HA -0.185 4.285 4.470 -0.000 0.000 0.228 408 S C 1.888 176.456 174.600 -0.054 0.000 1.027 408 S CA 0.849 59.038 58.200 -0.018 0.000 0.991 408 S CB -0.631 62.607 63.200 0.064 0.000 0.823 408 S HN 0.401 nan 8.310 nan 0.000 0.469 409 Y N 1.656 121.976 120.300 0.034 0.000 2.352 409 Y HA 0.245 4.795 4.550 -0.000 0.000 0.292 409 Y C 2.170 178.013 175.900 -0.095 0.000 1.136 409 Y CA 0.380 58.495 58.100 0.024 0.000 1.227 409 Y CB -0.349 38.143 38.460 0.054 0.000 0.991 409 Y HN 0.267 nan 8.280 nan 0.000 0.545 410 L N -1.057 120.145 121.223 -0.036 0.000 2.249 410 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 410 L C 1.942 178.732 176.870 -0.132 0.000 1.090 410 L CA 0.815 55.583 54.840 -0.120 0.000 0.802 410 L CB -0.250 41.628 42.059 -0.302 0.000 0.947 410 L HN 0.136 nan 8.230 nan 0.000 0.453 411 E N 0.386 120.494 120.200 -0.153 0.000 2.216 411 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 411 E C 0.064 176.521 176.600 -0.238 0.000 0.988 411 E CA 0.487 56.790 56.400 -0.162 0.000 0.834 411 E CB 0.251 29.873 29.700 -0.129 0.000 0.772 411 E HN 0.477 nan 8.360 nan 0.000 0.479 412 N N 0.837 119.321 118.700 -0.361 0.000 2.750 412 N HA 0.129 4.869 4.740 -0.000 0.000 0.253 412 N C -2.460 172.810 175.510 -0.401 0.000 1.408 412 N CA -0.964 51.732 53.050 -0.591 0.000 0.780 412 N CB 1.527 39.135 38.487 -1.466 0.000 1.191 412 N HN -0.062 nan 8.380 nan 0.000 0.511 413 P HA -0.097 nan 4.420 nan 0.000 0.223 413 P C 1.395 178.751 177.300 0.092 0.000 1.144 413 P CA 0.770 63.877 63.100 0.010 0.000 0.783 413 P CB 0.387 32.085 31.700 -0.003 0.000 0.771 414 A N -0.951 121.901 122.820 0.053 0.000 1.978 414 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 414 A C 1.771 179.562 177.584 0.345 0.000 1.170 414 A CA 1.323 53.455 52.037 0.160 0.000 0.636 414 A CB -1.661 17.424 19.000 0.142 0.000 0.810 414 A HN 0.062 nan 8.150 nan 0.000 0.448 415 F N -0.268 119.770 119.950 0.147 0.000 2.202 415 F HA -0.140 4.387 4.527 0.000 0.000 0.301 415 F C 2.388 178.389 175.800 0.336 0.000 1.082 415 F CA 0.791 58.921 58.000 0.215 0.000 1.313 415 F CB -0.962 38.142 39.000 0.174 0.000 1.024 415 F HN 0.207 nan 8.300 nan 0.000 0.495 416 M N -1.112 118.759 119.600 0.451 0.000 2.200 416 M HA -0.157 4.323 4.480 -0.000 0.000 0.265 416 M C 2.371 178.750 176.300 0.132 0.000 1.066 416 M CA 1.049 56.452 55.300 0.172 0.000 1.127 416 M CB -0.540 32.092 32.600 0.054 0.000 1.379 416 M HN 0.108 nan 8.290 nan 0.000 0.420 417 L N 0.622 121.935 121.223 0.151 0.000 2.127 417 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 417 L C 2.342 179.273 176.870 0.102 0.000 1.089 417 L CA 1.174 56.080 54.840 0.111 0.000 0.757 417 L CB -0.285 41.841 42.059 0.111 0.000 0.899 417 L HN 0.390 nan 8.230 nan 0.000 0.434 418 L N -0.542 120.760 121.223 0.131 0.000 2.046 418 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 418 L C 1.381 178.296 176.870 0.075 0.000 1.077 418 L CA 1.713 56.612 54.840 0.100 0.000 0.747 418 L CB -0.210 41.911 42.059 0.103 0.000 0.896 418 L HN 0.369 nan 8.230 nan 0.000 0.432 419 D N -0.630 119.821 120.400 0.084 0.000 2.398 419 D HA 0.201 4.841 4.640 -0.000 0.000 0.210 419 D C 0.548 176.872 176.300 0.041 0.000 1.094 419 D CA 0.019 54.055 54.000 0.061 0.000 0.839 419 D CB 0.600 41.445 40.800 0.075 0.000 0.963 419 D HN 0.257 nan 8.370 nan 0.000 0.506 420 L N 0.890 122.136 121.223 0.039 0.000 2.418 420 L HA 0.316 4.656 4.340 -0.000 0.000 0.265 420 L C 0.786 177.672 176.870 0.025 0.000 1.143 420 L CA -0.151 54.705 54.840 0.026 0.000 0.809 420 L CB 0.907 42.980 42.059 0.024 0.000 1.124 420 L HN -0.360 nan 8.230 nan 0.000 0.456 421 K N 0.000 120.411 120.400 0.019 0.000 2.780 421 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 421 K CA 0.000 56.297 56.287 0.016 0.000 0.838 421 K CB 0.000 32.507 32.500 0.012 0.000 1.064 421 K HN 0.000 nan 8.250 nan 0.000 0.543