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_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 0.000 174.898 174.900 -0.003 0.000 0.946 188 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 189 K N 0.663 121.061 120.400 -0.003 0.000 2.532 189 K HA 0.456 4.776 4.320 -0.000 0.000 0.265 189 K C -1.651 174.946 176.600 -0.004 0.000 0.948 189 K CA -0.813 55.472 56.287 -0.003 0.000 0.842 189 K CB 2.086 34.584 32.500 -0.003 0.000 1.392 189 K HN -0.038 nan 8.250 nan 0.000 0.436 190 D N 2.123 122.520 120.400 -0.004 0.000 2.389 190 D HA 0.068 4.708 4.640 -0.000 0.000 0.247 190 D C -0.277 176.020 176.300 -0.005 0.000 1.128 190 D CA 0.231 54.228 54.000 -0.005 0.000 0.884 190 D CB 0.766 41.563 40.800 -0.005 0.000 1.194 190 D HN 0.309 nan 8.370 nan 0.000 0.441 191 R N 0.902 121.399 120.500 -0.006 0.000 2.337 191 R HA 0.375 4.715 4.340 -0.000 0.000 0.319 191 R C -1.114 175.183 176.300 -0.006 0.000 0.954 191 R CA -0.528 55.569 56.100 -0.005 0.000 0.840 191 R CB 0.664 30.962 30.300 -0.004 0.000 1.164 191 R HN 0.188 nan 8.270 nan 0.000 0.472 192 T N 4.572 119.123 114.554 -0.005 0.000 2.845 192 T HA 0.246 4.596 4.350 -0.000 0.000 0.288 192 T C -0.653 174.046 174.700 -0.003 0.000 0.980 192 T CA -0.403 61.694 62.100 -0.005 0.000 1.071 192 T CB 1.002 69.868 68.868 -0.004 0.000 0.941 192 T HN 0.737 nan 8.240 nan 0.000 0.487 193 E N 1.944 122.142 120.200 -0.003 0.000 2.335 193 E HA 0.495 4.845 4.350 -0.000 0.000 0.280 193 E C -3.054 173.547 176.600 0.002 0.000 0.918 193 E CA -2.182 54.218 56.400 0.001 0.000 0.765 193 E CB 0.422 30.123 29.700 0.002 0.000 1.218 193 E HN 0.226 nan 8.360 nan 0.000 0.425 194 P HA -0.059 nan 4.420 nan 0.000 0.263 194 P C -0.559 176.752 177.300 0.018 0.000 1.168 194 P CA -0.164 62.942 63.100 0.010 0.000 0.759 194 P CB 0.381 32.088 31.700 0.011 0.000 0.782 195 V N 4.665 124.592 119.914 0.021 0.000 2.529 195 V HA -0.035 4.084 4.120 -0.000 0.000 0.292 195 V C 1.217 177.356 176.094 0.076 0.000 1.028 195 V CA 0.034 62.356 62.300 0.037 0.000 1.074 195 V CB -0.003 31.840 31.823 0.034 0.000 0.958 195 V HN 0.513 nan 8.190 nan 0.000 0.481 196 K N 3.680 124.163 120.400 0.139 0.000 2.402 196 K HA 0.029 4.349 4.320 -0.000 0.000 0.265 196 K C 1.525 178.206 176.600 0.134 0.000 0.978 196 K CA 0.515 56.915 56.287 0.189 0.000 0.913 196 K CB 0.214 32.958 32.500 0.406 0.000 0.954 196 K HN 0.854 nan 8.250 nan 0.000 0.511 197 G N 1.387 110.219 108.800 0.052 0.000 2.587 197 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 197 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 197 G C 1.026 175.875 174.900 -0.086 0.000 1.240 197 G CA 0.707 45.775 45.100 -0.053 0.000 0.794 197 G HN 0.611 nan 8.290 nan 0.000 0.580 198 F N 0.438 120.315 119.950 -0.122 0.000 2.811 198 F HA 0.190 4.717 4.527 -0.000 0.000 0.301 198 F C 2.213 177.862 175.800 -0.252 0.000 1.151 198 F CA 0.010 57.901 58.000 -0.180 0.000 1.412 198 F CB 0.267 39.151 39.000 -0.194 0.000 1.113 198 F HN 0.246 nan 8.300 nan 0.000 0.579 199 H N -1.193 117.987 119.070 0.183 0.000 2.548 199 H HA 0.020 4.576 4.556 -0.000 0.000 0.265 199 H C 1.824 177.204 175.328 0.086 0.000 0.969 199 H CA 0.442 56.558 56.048 0.115 0.000 1.155 199 H CB 0.160 29.964 29.762 0.070 0.000 1.394 199 H HN 0.129 nan 8.280 nan 0.000 0.570 200 K N 0.556 121.042 120.400 0.143 0.000 2.148 200 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 200 K C 2.327 178.979 176.600 0.086 0.000 1.050 200 K CA 0.830 57.166 56.287 0.082 0.000 0.942 200 K CB 0.065 32.574 32.500 0.016 0.000 0.724 200 K HN 0.242 nan 8.250 nan 0.000 0.446 201 A N 1.439 124.336 122.820 0.127 0.000 1.933 201 A HA -0.178 4.141 4.320 -0.000 0.000 0.218 201 A C 2.085 179.729 177.584 0.099 0.000 1.175 201 A CA 1.419 53.533 52.037 0.129 0.000 0.628 201 A CB -0.406 18.722 19.000 0.215 0.000 0.814 201 A HN 0.279 nan 8.150 nan 0.000 0.444 202 M N -0.451 119.214 119.600 0.109 0.000 2.254 202 M HA -0.077 4.403 4.480 -0.000 0.000 0.265 202 M C 1.821 178.160 176.300 0.065 0.000 1.066 202 M CA 1.207 56.557 55.300 0.083 0.000 1.123 202 M CB -0.134 32.522 32.600 0.094 0.000 1.388 202 M HN 0.230 nan 8.290 nan 0.000 0.425 203 V N 1.009 120.965 119.914 0.070 0.000 2.255 203 V HA -0.329 3.791 4.120 -0.000 0.000 0.247 203 V C 2.328 178.445 176.094 0.039 0.000 1.051 203 V CA 2.336 64.665 62.300 0.048 0.000 1.018 203 V CB -0.930 30.921 31.823 0.047 0.000 0.641 203 V HN 0.548 nan 8.190 nan 0.000 0.445 204 K N -0.164 120.262 120.400 0.043 0.000 2.002 204 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 204 K C 2.207 178.828 176.600 0.035 0.000 1.048 204 K CA 2.129 58.437 56.287 0.035 0.000 0.930 204 K CB -0.472 32.049 32.500 0.035 0.000 0.714 204 K HN 0.488 nan 8.250 nan 0.000 0.438 205 T N 1.732 116.311 114.554 0.042 0.000 2.635 205 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 205 T C 1.863 176.585 174.700 0.037 0.000 1.040 205 T CA 1.743 63.867 62.100 0.039 0.000 1.156 205 T CB -0.090 68.802 68.868 0.041 0.000 0.863 205 T HN 0.214 nan 8.240 nan 0.000 0.430 206 M N 1.334 120.954 119.600 0.034 0.000 2.200 206 M HA 0.045 4.525 4.480 -0.000 0.000 0.265 206 M C 2.623 178.937 176.300 0.023 0.000 1.066 206 M CA 1.104 56.419 55.300 0.026 0.000 1.127 206 M CB -1.402 31.208 32.600 0.017 0.000 1.379 206 M HN 0.164 nan 8.290 nan 0.000 0.420 207 S N 1.277 116.991 115.700 0.022 0.000 2.383 207 S HA -0.070 4.400 4.470 -0.000 0.000 0.229 207 S C 2.088 176.703 174.600 0.026 0.000 1.030 207 S CA 1.296 59.507 58.200 0.019 0.000 1.002 207 S CB -0.428 62.782 63.200 0.017 0.000 0.829 207 S HN 0.569 nan 8.310 nan 0.000 0.467 208 A N 1.357 124.196 122.820 0.031 0.000 2.015 208 A HA 0.275 4.595 4.320 -0.000 0.000 0.219 208 A C 2.267 179.880 177.584 0.048 0.000 1.163 208 A CA 1.318 53.375 52.037 0.033 0.000 0.646 208 A CB -0.806 18.212 19.000 0.030 0.000 0.806 208 A HN 0.510 nan 8.150 nan 0.000 0.448 209 A N -0.301 122.557 122.820 0.063 0.000 2.121 209 A HA 0.092 4.412 4.320 -0.000 0.000 0.218 209 A C 1.925 179.590 177.584 0.136 0.000 1.154 209 A CA 0.980 53.088 52.037 0.118 0.000 0.679 209 A CB -0.548 18.534 19.000 0.137 0.000 0.795 209 A HN 0.476 nan 8.150 nan 0.000 0.458 210 L N -0.866 120.397 121.223 0.067 0.000 2.265 210 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 210 L C 2.140 179.050 176.870 0.066 0.000 1.117 210 L CA 1.192 56.061 54.840 0.049 0.000 0.782 210 L CB -0.273 41.799 42.059 0.022 0.000 0.914 210 L HN 0.338 nan 8.230 nan 0.000 0.441 211 K N 0.027 120.465 120.400 0.065 0.000 2.459 211 K HA 0.127 4.446 4.320 -0.000 0.000 0.193 211 K C 0.386 177.025 176.600 0.064 0.000 1.030 211 K CA 0.342 56.660 56.287 0.052 0.000 1.026 211 K CB 0.223 32.745 32.500 0.035 0.000 0.809 211 K HN 0.269 nan 8.250 nan 0.000 0.504 212 I N 2.976 123.609 120.570 0.105 0.000 2.304 212 I HA 0.143 4.313 4.170 -0.000 0.000 0.291 212 I C -2.412 173.814 176.117 0.182 0.000 1.018 212 I CA -2.628 58.723 61.300 0.086 0.000 1.260 212 I CB 1.162 39.166 38.000 0.006 0.000 1.390 212 I HN -0.277 nan 8.210 nan 0.000 0.475 213 P HA 0.127 nan 4.420 nan 0.000 0.273 213 P C -0.908 176.518 177.300 0.209 0.000 1.319 213 P CA -0.152 63.050 63.100 0.170 0.000 0.885 213 P CB -0.057 31.708 31.700 0.108 0.000 1.015 214 H N 2.560 121.697 119.070 0.113 0.000 2.767 214 H HA 0.259 4.815 4.556 -0.000 0.000 0.316 214 H C -0.321 175.133 175.328 0.209 0.000 1.059 214 H CA 0.249 56.373 56.048 0.127 0.000 1.461 214 H CB -0.093 29.708 29.762 0.064 0.000 1.475 214 H HN 0.296 nan 8.280 nan 0.000 0.531 215 F N 2.528 122.553 119.950 0.124 0.000 2.404 215 F HA 0.543 5.070 4.527 -0.000 0.000 0.339 215 F C 0.487 176.341 175.800 0.091 0.000 1.105 215 F CA -0.821 57.230 58.000 0.085 0.000 1.087 215 F CB 1.133 40.049 39.000 -0.140 0.000 1.143 215 F HN 0.528 nan 8.300 nan 0.000 0.491 216 G N 4.616 113.110 108.800 -0.510 0.000 2.379 216 G HA2 0.456 4.416 3.960 -0.000 0.000 0.327 216 G HA3 0.456 4.416 3.960 -0.000 0.000 0.327 216 G C -2.474 172.013 174.900 -0.689 0.000 1.145 216 G CA -0.523 44.321 45.100 -0.427 0.000 0.905 216 G HN 0.748 nan 8.290 nan 0.000 0.466 217 Y N 1.287 121.363 120.300 -0.374 0.000 2.396 217 Y HA 0.550 5.100 4.550 -0.000 0.000 0.332 217 Y C -0.593 175.327 175.900 0.032 0.000 1.034 217 Y CA -1.190 56.797 58.100 -0.187 0.000 1.057 217 Y CB 1.197 39.675 38.460 0.031 0.000 1.220 217 Y HN 0.671 nan 8.280 nan 0.000 0.440 218 C N 4.506 123.449 119.300 -0.596 0.000 2.719 218 C HA 0.794 5.254 4.460 -0.000 0.000 0.327 218 C C -0.839 173.896 174.990 -0.425 0.000 1.238 218 C CA -0.428 58.365 59.018 -0.375 0.000 1.727 218 C CB 1.771 29.281 27.740 -0.383 0.000 2.256 218 C HN 0.914 nan 8.230 nan 0.000 0.489 219 D N -0.470 119.911 120.400 -0.032 0.000 2.639 219 D HA 0.376 5.016 4.640 -0.000 0.000 0.271 219 D C -1.481 174.908 176.300 0.148 0.000 1.254 219 D CA -0.330 53.697 54.000 0.045 0.000 0.810 219 D CB 1.708 42.573 40.800 0.108 0.000 1.351 219 D HN 0.798 nan 8.370 nan 0.000 0.427 220 E N -0.035 120.228 120.200 0.105 0.000 2.202 220 E HA 0.599 4.949 4.350 -0.000 0.000 0.272 220 E C -1.340 175.286 176.600 0.043 0.000 0.951 220 E CA -0.902 55.520 56.400 0.036 0.000 0.813 220 E CB 2.253 31.960 29.700 0.013 0.000 1.151 220 E HN 0.090 nan 8.360 nan 0.000 0.398 221 V N 2.234 122.149 119.914 0.001 0.000 2.588 221 V HA 0.278 4.397 4.120 -0.000 0.000 0.304 221 V C -1.370 174.691 176.094 -0.055 0.000 1.042 221 V CA -0.787 61.507 62.300 -0.011 0.000 0.877 221 V CB 1.827 33.641 31.823 -0.014 0.000 0.996 221 V HN 0.881 nan 8.190 nan 0.000 0.425 222 D N 5.547 125.916 120.400 -0.051 0.000 2.411 222 D HA 0.261 4.901 4.640 -0.000 0.000 0.225 222 D C 0.560 176.816 176.300 -0.074 0.000 1.156 222 D CA 0.008 53.973 54.000 -0.059 0.000 0.874 222 D CB 0.940 41.715 40.800 -0.042 0.000 1.034 222 D HN 0.629 nan 8.370 nan 0.000 0.502 223 L N 3.280 124.454 121.223 -0.081 0.000 2.728 223 L HA 0.066 4.406 4.340 -0.000 0.000 0.235 223 L C 1.867 178.705 176.870 -0.053 0.000 1.197 223 L CA -0.125 54.670 54.840 -0.075 0.000 0.992 223 L CB -0.089 41.909 42.059 -0.101 0.000 1.263 223 L HN 0.292 nan 8.230 nan 0.000 0.484 224 T N -0.638 113.885 114.554 -0.052 0.000 2.684 224 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 224 T C 1.804 176.485 174.700 -0.032 0.000 1.036 224 T CA 1.345 63.423 62.100 -0.036 0.000 1.148 224 T CB 0.035 68.882 68.868 -0.035 0.000 0.863 224 T HN 0.294 nan 8.240 nan 0.000 0.436 225 E N 0.798 120.968 120.200 -0.050 0.000 2.051 225 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 225 E C 2.300 178.857 176.600 -0.072 0.000 0.991 225 E CA 0.731 57.094 56.400 -0.061 0.000 0.799 225 E CB -0.500 29.150 29.700 -0.084 0.000 0.748 225 E HN 0.385 nan 8.360 nan 0.000 0.449 226 L N 0.599 121.774 121.223 -0.079 0.000 2.012 226 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 226 L C 2.514 179.356 176.870 -0.047 0.000 1.073 226 L CA 1.075 55.841 54.840 -0.124 0.000 0.748 226 L CB -0.338 41.680 42.059 -0.070 0.000 0.891 226 L HN 0.034 nan 8.230 nan 0.000 0.431 227 V N 0.133 120.122 119.914 0.126 0.000 2.282 227 V HA -0.379 3.741 4.120 -0.000 0.000 0.249 227 V C 2.560 178.669 176.094 0.025 0.000 1.057 227 V CA 2.265 64.688 62.300 0.204 0.000 1.032 227 V CB -0.630 31.290 31.823 0.160 0.000 0.645 227 V HN 0.486 nan 8.190 nan 0.000 0.447 228 K N -0.351 120.042 120.400 -0.012 0.000 2.025 228 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 228 K C 2.238 178.801 176.600 -0.063 0.000 1.049 228 K CA 1.752 58.020 56.287 -0.032 0.000 0.933 228 K CB -0.250 32.232 32.500 -0.029 0.000 0.714 228 K HN 0.370 nan 8.250 nan 0.000 0.438 229 L N 1.480 122.644 121.223 -0.097 0.000 2.042 229 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 229 L C 2.706 179.491 176.870 -0.141 0.000 1.076 229 L CA 1.546 56.316 54.840 -0.117 0.000 0.749 229 L CB -0.315 41.645 42.059 -0.165 0.000 0.893 229 L HN 0.179 nan 8.230 nan 0.000 0.432 230 R N -0.681 119.664 120.500 -0.258 0.000 2.081 230 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 230 R C 2.106 178.321 176.300 -0.142 0.000 1.131 230 R CA 1.457 57.398 56.100 -0.265 0.000 0.960 230 R CB -0.163 29.792 30.300 -0.576 0.000 0.856 230 R HN 0.387 nan 8.270 nan 0.000 0.436 231 E N 0.916 121.050 120.200 -0.111 0.000 2.085 231 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 231 E C 1.741 178.319 176.600 -0.038 0.000 0.994 231 E CA 1.875 58.238 56.400 -0.061 0.000 0.801 231 E CB -0.122 29.555 29.700 -0.038 0.000 0.743 231 E HN 0.691 nan 8.360 nan 0.000 0.453 232 E N 0.132 120.313 120.200 -0.032 0.000 2.371 232 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 232 E C 2.160 178.761 176.600 0.003 0.000 1.012 232 E CA 0.237 56.629 56.400 -0.014 0.000 0.860 232 E CB -0.187 29.506 29.700 -0.013 0.000 0.811 232 E HN 0.211 nan 8.360 nan 0.000 0.502 233 L N 0.813 122.044 121.223 0.014 0.000 2.270 233 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 233 L C 2.425 179.327 176.870 0.053 0.000 1.104 233 L CA 0.416 55.286 54.840 0.050 0.000 0.804 233 L CB -0.215 41.914 42.059 0.116 0.000 0.937 233 L HN 0.029 nan 8.230 nan 0.000 0.450 234 K N 0.575 120.994 120.400 0.032 0.000 2.059 234 K HA -0.215 4.104 4.320 -0.000 0.000 0.212 234 K C -0.311 176.342 176.600 0.088 0.000 1.050 234 K CA 1.844 58.159 56.287 0.046 0.000 0.927 234 K CB -1.263 31.240 32.500 0.005 0.000 0.714 234 K HN 0.269 nan 8.250 nan 0.000 0.447 235 P HA -0.135 nan 4.420 nan 0.000 0.218 235 P C 1.257 178.624 177.300 0.112 0.000 1.148 235 P CA 1.240 64.388 63.100 0.080 0.000 0.822 235 P CB 0.005 31.720 31.700 0.025 0.000 0.784 236 I N -0.957 119.654 120.570 0.067 0.000 2.277 236 I HA -0.144 4.026 4.170 -0.000 0.000 0.243 236 I C 2.392 178.531 176.117 0.037 0.000 1.094 236 I CA 1.074 62.390 61.300 0.027 0.000 1.393 236 I CB -0.860 37.131 38.000 -0.014 0.000 1.078 236 I HN -0.119 nan 8.210 nan 0.000 0.417 237 A N 1.083 123.954 122.820 0.084 0.000 1.873 237 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 237 A C 2.261 179.931 177.584 0.142 0.000 1.193 237 A CA 1.772 53.895 52.037 0.145 0.000 0.629 237 A CB -1.162 17.931 19.000 0.155 0.000 0.826 237 A HN 0.420 nan 8.150 nan 0.000 0.447 238 F N 0.829 120.799 119.950 0.033 0.000 2.025 238 F HA -0.173 4.354 4.527 -0.000 0.000 0.297 238 F C 2.653 178.467 175.800 0.023 0.000 1.132 238 F CA 1.874 59.888 58.000 0.024 0.000 1.191 238 F CB -0.739 38.266 39.000 0.009 0.000 0.963 238 F HN 0.288 nan 8.300 nan 0.000 0.481 239 A N 0.270 123.199 122.820 0.183 0.000 2.001 239 A HA -0.330 3.990 4.320 -0.000 0.000 0.224 239 A C 2.200 179.749 177.584 -0.059 0.000 1.203 239 A CA 2.467 54.539 52.037 0.057 0.000 0.667 239 A CB -0.921 18.121 19.000 0.070 0.000 0.823 239 A HN 0.601 nan 8.150 nan 0.000 0.473 240 R N -2.120 118.354 120.500 -0.044 0.000 2.317 240 R HA 0.270 4.610 4.340 -0.000 0.000 0.208 240 R C 1.237 177.542 176.300 0.007 0.000 0.914 240 R CA 0.549 56.640 56.100 -0.015 0.000 1.060 240 R CB 0.048 30.341 30.300 -0.012 0.000 1.015 240 R HN 0.817 nan 8.270 nan 0.000 0.498 241 G N 0.831 109.562 108.800 -0.116 0.000 2.144 241 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.218 241 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.218 241 G C -0.119 174.722 174.900 -0.100 0.000 0.988 241 G CA -0.462 44.543 45.100 -0.159 0.000 0.659 241 G HN 0.090 nan 8.290 nan 0.000 0.522 242 I N 0.724 121.279 120.570 -0.025 0.000 2.474 242 I HA 0.396 4.566 4.170 -0.000 0.000 0.294 242 I C 0.321 176.451 176.117 0.022 0.000 1.005 242 I CA -1.555 59.743 61.300 -0.002 0.000 1.113 242 I CB 1.671 39.682 38.000 0.017 0.000 1.289 242 I HN 0.030 nan 8.210 nan 0.000 0.436 243 K N 5.334 125.736 120.400 0.004 0.000 2.285 243 K HA 0.356 4.676 4.320 -0.000 0.000 0.286 243 K C -0.647 175.952 176.600 -0.001 0.000 1.072 243 K CA -0.654 55.650 56.287 0.028 0.000 0.913 243 K CB 1.108 33.623 32.500 0.025 0.000 1.067 243 K HN 0.264 nan 8.250 nan 0.000 0.479 244 L N 3.443 124.673 121.223 0.012 0.000 2.264 244 L HA 0.144 4.484 4.340 -0.000 0.000 0.287 244 L C 0.173 177.011 176.870 -0.053 0.000 1.039 244 L CA 0.190 55.022 54.840 -0.015 0.000 0.829 244 L CB 0.733 42.812 42.059 0.034 0.000 1.211 244 L HN 0.732 nan 8.230 nan 0.000 0.427 245 S N 3.431 119.094 115.700 -0.063 0.000 2.590 245 S HA 0.420 4.890 4.470 -0.000 0.000 0.282 245 S C 0.946 175.456 174.600 -0.150 0.000 1.136 245 S CA -0.320 57.820 58.200 -0.100 0.000 1.030 245 S CB 0.138 63.349 63.200 0.019 0.000 1.195 245 S HN 0.420 nan 8.310 nan 0.000 0.506 246 F N 0.237 120.136 119.950 -0.085 0.000 2.512 246 F HA 0.180 4.707 4.527 -0.000 0.000 0.296 246 F C 2.485 177.908 175.800 -0.629 0.000 1.110 246 F CA 0.268 58.041 58.000 -0.378 0.000 1.446 246 F CB -0.377 38.227 39.000 -0.660 0.000 1.092 246 F HN 0.251 nan 8.300 nan 0.000 0.554 247 M N 0.323 119.844 119.600 -0.132 0.000 2.082 247 M HA -0.143 4.337 4.480 -0.000 0.000 0.258 247 M C -0.475 175.860 176.300 0.059 0.000 1.069 247 M CA 1.924 57.253 55.300 0.049 0.000 1.102 247 M CB -2.409 30.283 32.600 0.154 0.000 1.336 247 M HN -0.063 nan 8.290 nan 0.000 0.404 248 P HA -0.146 nan 4.420 nan 0.000 0.216 248 P C 1.498 178.695 177.300 -0.171 0.000 1.150 248 P CA 1.363 64.363 63.100 -0.167 0.000 0.843 248 P CB -0.305 31.173 31.700 -0.371 0.000 0.787 249 F N -2.074 117.850 119.950 -0.044 0.000 2.113 249 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 249 F C 2.154 178.069 175.800 0.191 0.000 1.103 249 F CA 1.176 59.177 58.000 0.001 0.000 1.248 249 F CB -1.423 37.521 39.000 -0.093 0.000 0.999 249 F HN -0.168 nan 8.300 nan 0.000 0.475 250 F N -0.392 119.814 119.950 0.427 0.000 2.134 250 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 250 F C 2.162 178.307 175.800 0.574 0.000 1.097 250 F CA 0.597 58.911 58.000 0.524 0.000 1.264 250 F CB -1.443 37.903 39.000 0.576 0.000 1.001 250 F HN -0.087 nan 8.300 nan 0.000 0.479 251 L N 0.089 121.646 121.223 0.556 0.000 2.027 251 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 251 L C 2.442 179.507 176.870 0.325 0.000 1.074 251 L CA 1.635 56.722 54.840 0.411 0.000 0.745 251 L CB -1.303 40.913 42.059 0.261 0.000 0.898 251 L HN -0.009 nan 8.230 nan 0.000 0.433 252 K N -0.198 120.335 120.400 0.221 0.000 2.026 252 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 252 K C 2.047 178.742 176.600 0.159 0.000 1.048 252 K CA 1.566 57.937 56.287 0.138 0.000 0.929 252 K CB -0.501 32.021 32.500 0.037 0.000 0.713 252 K HN 0.248 nan 8.250 nan 0.000 0.439 253 A N 0.341 123.300 122.820 0.233 0.000 1.933 253 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 253 A C 2.325 180.223 177.584 0.523 0.000 1.175 253 A CA 1.973 54.155 52.037 0.242 0.000 0.628 253 A CB -0.972 18.110 19.000 0.137 0.000 0.814 253 A HN 0.409 nan 8.150 nan 0.000 0.444 254 A N -0.705 122.534 122.820 0.698 0.000 1.877 254 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 254 A C 2.491 180.230 177.584 0.258 0.000 1.186 254 A CA 2.224 54.582 52.037 0.535 0.000 0.620 254 A CB -1.091 18.200 19.000 0.485 0.000 0.822 254 A HN 0.574 nan 8.150 nan 0.000 0.443 255 S N -0.491 115.337 115.700 0.213 0.000 2.359 255 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 255 S C 1.951 176.694 174.600 0.239 0.000 1.035 255 S CA 1.636 59.963 58.200 0.212 0.000 1.018 255 S CB -0.518 62.871 63.200 0.315 0.000 0.876 255 S HN 0.473 nan 8.310 nan 0.000 0.448 256 L N 0.656 121.987 121.223 0.179 0.000 2.083 256 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 256 L C 2.803 179.856 176.870 0.305 0.000 1.083 256 L CA 1.229 56.155 54.840 0.143 0.000 0.752 256 L CB -0.912 41.037 42.059 -0.184 0.000 0.899 256 L HN 0.488 nan 8.230 nan 0.000 0.433 257 G N -0.194 108.841 108.800 0.392 0.000 2.408 257 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 257 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 257 G C 1.617 176.834 174.900 0.528 0.000 1.150 257 G CA 0.344 45.731 45.100 0.479 0.000 0.776 257 G HN 0.227 nan 8.290 nan 0.000 0.542 258 L N 0.063 121.459 121.223 0.288 0.000 2.131 258 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 258 L C 2.804 179.721 176.870 0.078 0.000 1.092 258 L CA 0.382 55.197 54.840 -0.043 0.000 0.759 258 L CB -0.372 41.290 42.059 -0.662 0.000 0.903 258 L HN 0.188 nan 8.230 nan 0.000 0.435 259 L N -0.811 120.540 121.223 0.213 0.000 2.127 259 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 259 L C 2.656 179.547 176.870 0.034 0.000 1.089 259 L CA 0.988 55.931 54.840 0.172 0.000 0.757 259 L CB -0.468 41.684 42.059 0.157 0.000 0.899 259 L HN 0.350 nan 8.230 nan 0.000 0.434 260 Q N -0.819 118.973 119.800 -0.013 0.000 2.302 260 Q HA 0.071 4.410 4.340 -0.000 0.000 0.202 260 Q C 0.229 175.845 176.000 -0.641 0.000 0.936 260 Q CA 0.918 56.522 55.803 -0.330 0.000 0.886 260 Q CB 0.330 28.846 28.738 -0.370 0.000 0.986 260 Q HN 0.386 nan 8.270 nan 0.000 0.487 261 F N 1.219 121.217 119.950 0.079 0.000 2.471 261 F HA 0.291 4.818 4.527 -0.000 0.000 0.318 261 F C -1.555 174.231 175.800 -0.024 0.000 1.308 261 F CA -2.048 55.967 58.000 0.024 0.000 1.162 261 F CB 1.194 40.213 39.000 0.031 0.000 1.383 261 F HN -0.045 nan 8.300 nan 0.000 0.552 262 P HA -0.139 nan 4.420 nan 0.000 0.225 262 P C 1.899 179.343 177.300 0.241 0.000 1.148 262 P CA 1.109 64.305 63.100 0.160 0.000 0.779 262 P CB 0.561 32.357 31.700 0.161 0.000 0.780 263 I N -0.682 120.049 120.570 0.268 0.000 2.700 263 I HA -0.151 4.019 4.170 -0.000 0.000 0.261 263 I C 1.905 177.996 176.117 -0.044 0.000 1.219 263 I CA 0.806 62.191 61.300 0.141 0.000 1.463 263 I CB -0.116 37.985 38.000 0.167 0.000 1.092 263 I HN -0.156 nan 8.210 nan 0.000 0.452 264 L N -0.211 120.962 121.223 -0.083 0.000 2.492 264 L HA -0.010 4.329 4.340 -0.000 0.000 0.223 264 L C 0.730 177.549 176.870 -0.086 0.000 1.132 264 L CA 0.400 55.138 54.840 -0.170 0.000 0.850 264 L CB -0.382 41.406 42.059 -0.451 0.000 0.966 264 L HN 0.193 nan 8.230 nan 0.000 0.454 265 N N 0.815 119.459 118.700 -0.094 0.000 3.040 265 N HA 0.462 5.202 4.740 -0.000 0.000 0.305 265 N C -0.724 174.787 175.510 0.001 0.000 1.611 265 N CA -0.062 52.969 53.050 -0.032 0.000 1.049 265 N CB 0.525 38.954 38.487 -0.096 0.000 1.342 265 N HN 0.162 nan 8.380 nan 0.000 0.497 266 A N -0.393 122.395 122.820 -0.052 0.000 2.593 266 A HA 0.830 5.149 4.320 -0.000 0.000 0.290 266 A C -0.829 176.687 177.584 -0.114 0.000 1.126 266 A CA -0.597 51.352 52.037 -0.148 0.000 0.695 266 A CB 1.401 20.171 19.000 -0.383 0.000 1.290 266 A HN 0.225 nan 8.150 nan 0.000 0.414 267 S N -1.381 114.242 115.700 -0.128 0.000 2.671 267 S HA 0.812 5.282 4.470 -0.000 0.000 0.299 267 S C -1.161 173.374 174.600 -0.109 0.000 1.116 267 S CA -0.482 57.664 58.200 -0.090 0.000 0.912 267 S CB 1.868 65.040 63.200 -0.047 0.000 1.130 267 S HN 0.972 nan 8.310 nan 0.000 0.501 268 V N 2.060 121.930 119.914 -0.074 0.000 2.876 268 V HA 0.424 4.544 4.120 -0.000 0.000 0.312 268 V C -1.032 175.040 176.094 -0.037 0.000 1.085 268 V CA -0.820 61.442 62.300 -0.063 0.000 0.945 268 V CB 2.282 34.067 31.823 -0.062 0.000 1.017 268 V HN 1.049 nan 8.190 nan 0.000 0.428 269 D N 2.267 122.650 120.400 -0.027 0.000 2.478 269 D HA 0.168 4.808 4.640 -0.000 0.000 0.269 269 D C 0.935 177.229 176.300 -0.010 0.000 1.232 269 D CA -0.387 53.604 54.000 -0.015 0.000 1.059 269 D CB 0.650 41.444 40.800 -0.009 0.000 1.104 269 D HN 0.415 nan 8.370 nan 0.000 0.566 270 E N -0.201 119.996 120.200 -0.005 0.000 2.023 270 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 270 E C 0.999 177.598 176.600 -0.002 0.000 1.003 270 E CA 1.816 58.215 56.400 -0.001 0.000 0.809 270 E CB -0.566 29.135 29.700 0.001 0.000 0.755 270 E HN 0.608 nan 8.360 nan 0.000 0.449 271 N N -0.956 117.742 118.700 -0.002 0.000 2.434 271 N HA 0.028 4.768 4.740 -0.000 0.000 0.196 271 N C -0.219 175.288 175.510 -0.005 0.000 1.183 271 N CA 0.484 53.532 53.050 -0.002 0.000 0.849 271 N CB -0.062 38.425 38.487 -0.001 0.000 0.992 271 N HN 0.197 nan 8.380 nan 0.000 0.460 272 C N 1.120 120.414 119.300 -0.008 0.000 4.056 272 C HA -0.185 4.275 4.460 -0.000 0.000 0.302 272 C C 1.227 176.210 174.990 -0.011 0.000 1.356 272 C CA 0.434 59.444 59.018 -0.014 0.000 2.074 272 C CB -2.059 25.672 27.740 -0.013 0.000 1.328 272 C HN 0.547 nan 8.230 nan 0.000 0.684 273 Q N -0.341 119.454 119.800 -0.008 0.000 2.317 273 Q HA 0.196 4.535 4.340 -0.000 0.000 0.220 273 Q C 0.261 176.261 176.000 -0.001 0.000 0.873 273 Q CA 0.535 56.336 55.803 -0.003 0.000 0.936 273 Q CB 0.339 29.077 28.738 -0.001 0.000 1.105 273 Q HN 0.911 nan 8.270 nan 0.000 0.520 274 N N 0.139 118.834 118.700 -0.007 0.000 2.264 274 N HA 0.442 5.182 4.740 -0.000 0.000 0.288 274 N C -1.472 174.019 175.510 -0.031 0.000 1.094 274 N CA -0.421 52.626 53.050 -0.005 0.000 0.817 274 N CB 2.350 40.839 38.487 0.003 0.000 1.604 274 N HN -0.072 nan 8.380 nan 0.000 0.473 275 I N 1.158 121.703 120.570 -0.042 0.000 2.354 275 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 275 I C -0.323 175.716 176.117 -0.130 0.000 0.989 275 I CA -0.494 60.721 61.300 -0.143 0.000 1.188 275 I CB 1.692 39.546 38.000 -0.242 0.000 1.342 275 I HN 0.406 nan 8.210 nan 0.000 0.457 276 T N 5.524 119.983 114.554 -0.158 0.000 2.770 276 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 276 T C -0.564 174.041 174.700 -0.159 0.000 0.997 276 T CA -0.350 61.707 62.100 -0.072 0.000 0.949 276 T CB 0.050 68.902 68.868 -0.025 0.000 0.941 276 T HN 0.141 nan 8.240 nan 0.000 0.457 277 Y N 2.767 123.076 120.300 0.015 0.000 2.393 277 Y HA 0.282 4.832 4.550 -0.000 0.000 0.338 277 Y C 1.044 176.961 175.900 0.029 0.000 1.029 277 Y CA -0.319 57.793 58.100 0.020 0.000 1.239 277 Y CB 0.534 39.004 38.460 0.016 0.000 1.170 277 Y HN 0.347 nan 8.280 nan 0.000 0.515 278 K N 2.229 122.712 120.400 0.137 0.000 2.185 278 K HA 0.517 4.837 4.320 -0.000 0.000 0.269 278 K C 0.450 177.138 176.600 0.146 0.000 0.987 278 K CA -0.284 56.073 56.287 0.116 0.000 0.865 278 K CB 1.580 34.130 32.500 0.083 0.000 1.090 278 K HN 0.797 nan 8.250 nan 0.000 0.450 279 A N 2.305 125.188 122.820 0.105 0.000 1.898 279 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 279 A C 0.683 178.286 177.584 0.032 0.000 1.183 279 A CA 0.825 52.903 52.037 0.070 0.000 0.622 279 A CB 0.106 19.124 19.000 0.031 0.000 0.824 279 A HN 0.587 nan 8.150 nan 0.000 0.444 280 S N 0.561 116.290 115.700 0.049 0.000 2.528 280 S HA 0.246 4.716 4.470 -0.000 0.000 0.277 280 S C -0.471 174.226 174.600 0.161 0.000 1.297 280 S CA -0.243 57.976 58.200 0.032 0.000 1.052 280 S CB -0.062 63.164 63.200 0.043 0.000 0.917 280 S HN 0.562 nan 8.310 nan 0.000 0.492 281 H N 3.033 122.127 119.070 0.040 0.000 2.908 281 H HA 0.209 4.764 4.556 -0.000 0.000 0.269 281 H C -0.436 174.935 175.328 0.071 0.000 1.303 281 H CA -0.755 55.323 56.048 0.050 0.000 1.341 281 H CB 0.062 29.845 29.762 0.036 0.000 1.519 281 H HN 0.366 nan 8.280 nan 0.000 0.505 282 N N 4.645 123.463 118.700 0.196 0.000 2.589 282 N HA 0.204 4.944 4.740 -0.000 0.000 0.232 282 N C -0.472 175.138 175.510 0.167 0.000 1.015 282 N CA -0.191 52.946 53.050 0.145 0.000 0.931 282 N CB 1.064 39.614 38.487 0.104 0.000 1.150 282 N HN 0.513 nan 8.380 nan 0.000 0.512 283 I N 0.614 121.294 120.570 0.182 0.000 2.321 283 I HA 0.335 4.505 4.170 -0.000 0.000 0.291 283 I C 1.147 177.370 176.117 0.177 0.000 0.998 283 I CA -0.818 60.624 61.300 0.237 0.000 1.227 283 I CB 1.437 39.621 38.000 0.306 0.000 1.368 283 I HN 0.277 nan 8.210 nan 0.000 0.466 284 G N 7.017 115.909 108.800 0.152 0.000 2.420 284 G HA2 0.553 4.513 3.960 -0.000 0.000 0.284 284 G HA3 0.553 4.513 3.960 -0.000 0.000 0.284 284 G C -0.430 174.525 174.900 0.093 0.000 1.177 284 G CA -0.377 44.779 45.100 0.094 0.000 0.841 284 G HN 0.389 nan 8.290 nan 0.000 0.527 285 I N 1.736 122.350 120.570 0.073 0.000 2.405 285 I HA 0.318 4.488 4.170 -0.000 0.000 0.280 285 I C 0.709 176.852 176.117 0.043 0.000 1.027 285 I CA -1.540 59.803 61.300 0.073 0.000 1.161 285 I CB 0.604 38.648 38.000 0.074 0.000 1.300 285 I HN 0.521 nan 8.210 nan 0.000 0.463 286 A N 8.342 131.181 122.820 0.032 0.000 2.484 286 A HA 0.568 4.888 4.320 -0.000 0.000 0.268 286 A C 0.205 177.801 177.584 0.019 0.000 1.114 286 A CA 0.133 52.180 52.037 0.016 0.000 0.780 286 A CB 0.106 19.107 19.000 0.003 0.000 1.061 286 A HN 0.745 nan 8.150 nan 0.000 0.505 287 M N 1.716 121.323 119.600 0.012 0.000 2.761 287 M HA 0.448 4.928 4.480 -0.000 0.000 0.305 287 M C -1.094 175.207 176.300 0.003 0.000 1.235 287 M CA -0.675 54.631 55.300 0.010 0.000 0.850 287 M CB 2.091 34.695 32.600 0.006 0.000 1.744 287 M HN 0.511 nan 8.290 nan 0.000 0.480 288 D N 1.135 121.538 120.400 0.005 0.000 2.629 288 D HA 0.458 5.098 4.640 -0.000 0.000 0.250 288 D C -0.604 175.697 176.300 0.002 0.000 1.126 288 D CA -0.018 53.986 54.000 0.006 0.000 0.852 288 D CB 2.102 42.910 40.800 0.015 0.000 1.335 288 D HN 0.709 nan 8.370 nan 0.000 0.518 289 T N -1.535 113.015 114.554 -0.007 0.000 2.819 289 T HA 0.337 4.687 4.350 -0.000 0.000 0.271 289 T C 1.020 175.727 174.700 0.011 0.000 0.986 289 T CA -0.532 61.561 62.100 -0.011 0.000 0.989 289 T CB 1.191 70.034 68.868 -0.043 0.000 1.396 289 T HN 0.169 nan 8.240 nan 0.000 0.597 290 E N 0.612 120.817 120.200 0.009 0.000 2.347 290 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 290 E C 1.525 178.170 176.600 0.075 0.000 1.008 290 E CA 0.552 56.976 56.400 0.040 0.000 0.852 290 E CB -0.020 29.698 29.700 0.029 0.000 0.783 290 E HN 0.639 nan 8.360 nan 0.000 0.505 291 Q N 0.254 120.053 119.800 -0.002 0.000 2.201 291 Q HA 0.295 4.635 4.340 -0.000 0.000 0.217 291 Q C 0.802 176.777 176.000 -0.041 0.000 0.860 291 Q CA 0.291 56.041 55.803 -0.089 0.000 0.984 291 Q CB 0.947 29.546 28.738 -0.232 0.000 1.095 291 Q HN 0.145 nan 8.270 nan 0.000 0.477 292 G N 1.860 110.704 108.800 0.074 0.000 2.481 292 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.230 292 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.230 292 G C -0.861 174.055 174.900 0.026 0.000 1.210 292 G CA -0.308 44.852 45.100 0.100 0.000 0.936 292 G HN 0.354 nan 8.290 nan 0.000 0.583 293 L N 1.118 122.360 121.223 0.032 0.000 2.361 293 L HA 0.793 5.133 4.340 -0.000 0.000 0.278 293 L C 0.156 177.013 176.870 -0.022 0.000 1.113 293 L CA -0.058 54.788 54.840 0.010 0.000 0.849 293 L CB 0.586 42.660 42.059 0.024 0.000 1.155 293 L HN 0.692 nan 8.230 nan 0.000 0.452 294 I N 4.973 125.526 120.570 -0.029 0.000 2.533 294 I HA 0.432 4.602 4.170 -0.000 0.000 0.290 294 I C -1.180 174.925 176.117 -0.020 0.000 1.056 294 I CA -0.620 60.653 61.300 -0.046 0.000 1.057 294 I CB 1.999 39.950 38.000 -0.082 0.000 1.240 294 I HN 0.314 nan 8.210 nan 0.000 0.423 295 V N 8.550 128.457 119.914 -0.012 0.000 2.315 295 V HA 0.359 4.478 4.120 -0.000 0.000 0.265 295 V C -2.210 173.889 176.094 0.009 0.000 1.019 295 V CA -1.182 61.121 62.300 0.004 0.000 0.824 295 V CB 0.550 32.379 31.823 0.009 0.000 1.072 295 V HN 0.564 nan 8.190 nan 0.000 0.448 296 P HA 0.350 nan 4.420 nan 0.000 0.276 296 P C -0.969 176.351 177.300 0.032 0.000 1.252 296 P CA -0.287 62.822 63.100 0.013 0.000 0.802 296 P CB 1.249 32.952 31.700 0.004 0.000 1.035 297 N N -1.398 117.324 118.700 0.038 0.000 2.240 297 N HA 0.409 5.149 4.740 -0.000 0.000 0.302 297 N C -1.228 174.314 175.510 0.053 0.000 1.106 297 N CA -1.044 52.042 53.050 0.059 0.000 0.778 297 N CB 1.219 39.749 38.487 0.072 0.000 1.431 297 N HN -0.039 nan 8.380 nan 0.000 0.479 298 V N 1.676 121.631 119.914 0.068 0.000 2.408 298 V HA 0.200 4.320 4.120 -0.000 0.000 0.267 298 V C 0.245 176.379 176.094 0.065 0.000 1.047 298 V CA -0.650 61.683 62.300 0.055 0.000 0.937 298 V CB 0.288 32.146 31.823 0.058 0.000 0.999 298 V HN 0.597 nan 8.190 nan 0.000 0.472 299 K N 4.181 124.608 120.400 0.045 0.000 2.382 299 K HA 0.133 4.452 4.320 -0.000 0.000 0.275 299 K C 0.617 177.244 176.600 0.044 0.000 1.009 299 K CA -0.026 56.288 56.287 0.046 0.000 0.970 299 K CB 0.003 32.520 32.500 0.027 0.000 0.934 299 K HN 0.712 nan 8.250 nan 0.000 0.479 300 N N 0.911 119.641 118.700 0.050 0.000 2.705 300 N HA -0.169 4.571 4.740 -0.000 0.000 0.255 300 N C 0.797 176.321 175.510 0.024 0.000 1.008 300 N CA 0.535 53.596 53.050 0.017 0.000 0.742 300 N CB -1.519 36.965 38.487 -0.005 0.000 0.906 300 N HN 0.331 nan 8.380 nan 0.000 0.541 301 V N 0.415 120.375 119.914 0.078 0.000 2.546 301 V HA -0.318 3.802 4.120 -0.000 0.000 0.254 301 V C 2.593 178.722 176.094 0.059 0.000 1.076 301 V CA 2.373 64.728 62.300 0.092 0.000 1.087 301 V CB -0.226 31.695 31.823 0.163 0.000 0.674 301 V HN 0.628 nan 8.190 nan 0.000 0.470 302 Q N 1.447 121.243 119.800 -0.006 0.000 2.291 302 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 302 Q C 1.710 177.683 176.000 -0.045 0.000 0.976 302 Q CA 2.242 58.004 55.803 -0.068 0.000 0.875 302 Q CB -0.584 27.963 28.738 -0.318 0.000 0.927 302 Q HN 0.836 nan 8.270 nan 0.000 0.450 303 I N -2.701 117.847 120.570 -0.035 0.000 3.927 303 I HA 0.407 4.577 4.170 -0.000 0.000 0.332 303 I C 0.051 176.163 176.117 -0.008 0.000 1.485 303 I CA -0.685 60.601 61.300 -0.024 0.000 1.131 303 I CB 0.410 38.393 38.000 -0.028 0.000 1.092 303 I HN -0.171 nan 8.210 nan 0.000 0.410 304 R N 1.834 122.333 120.500 -0.002 0.000 2.562 304 R HA 0.482 4.822 4.340 -0.000 0.000 0.298 304 R C -0.005 176.295 176.300 -0.001 0.000 0.961 304 R CA -0.452 55.648 56.100 -0.001 0.000 0.881 304 R CB 2.286 32.583 30.300 -0.005 0.000 1.159 304 R HN 0.399 nan 8.270 nan 0.000 0.450 305 S N 1.286 116.991 115.700 0.008 0.000 2.600 305 S HA 0.148 4.618 4.470 -0.000 0.000 0.265 305 S C 1.577 176.162 174.600 -0.025 0.000 1.325 305 S CA -0.614 57.593 58.200 0.011 0.000 1.002 305 S CB 0.646 63.882 63.200 0.060 0.000 0.921 305 S HN 0.611 nan 8.310 nan 0.000 0.554 306 I N 0.396 120.927 120.570 -0.065 0.000 2.248 306 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 306 I C 2.088 178.110 176.117 -0.158 0.000 1.107 306 I CA 1.658 62.842 61.300 -0.193 0.000 1.373 306 I CB -0.356 37.425 38.000 -0.365 0.000 1.055 306 I HN 0.786 nan 8.210 nan 0.000 0.418 307 F N 1.576 121.428 119.950 -0.163 0.000 2.186 307 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 307 F C 2.319 178.066 175.800 -0.089 0.000 1.090 307 F CA 1.588 59.515 58.000 -0.122 0.000 1.307 307 F CB -0.211 38.739 39.000 -0.085 0.000 1.019 307 F HN 0.024 nan 8.300 nan 0.000 0.489 308 E N 0.567 120.661 120.200 -0.176 0.000 2.077 308 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 308 E C 2.294 178.760 176.600 -0.222 0.000 0.989 308 E CA 1.817 58.085 56.400 -0.220 0.000 0.800 308 E CB -0.257 29.408 29.700 -0.058 0.000 0.746 308 E HN 0.473 nan 8.360 nan 0.000 0.452 309 I N 1.190 121.665 120.570 -0.159 0.000 2.163 309 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 309 I C 2.574 178.591 176.117 -0.166 0.000 1.085 309 I CA 1.062 62.290 61.300 -0.121 0.000 1.347 309 I CB -0.445 37.507 38.000 -0.080 0.000 1.044 309 I HN 0.102 nan 8.210 nan 0.000 0.408 310 A N 0.586 123.261 122.820 -0.241 0.000 1.873 310 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 310 A C 2.410 179.830 177.584 -0.274 0.000 1.193 310 A CA 2.749 54.639 52.037 -0.247 0.000 0.629 310 A CB -1.292 17.542 19.000 -0.277 0.000 0.826 310 A HN 0.410 nan 8.150 nan 0.000 0.447 311 T N -0.541 113.750 114.554 -0.439 0.000 2.665 311 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 311 T C 1.933 176.510 174.700 -0.206 0.000 1.035 311 T CA 1.940 63.813 62.100 -0.379 0.000 1.151 311 T CB -0.271 68.292 68.868 -0.508 0.000 0.862 311 T HN 0.662 nan 8.240 nan 0.000 0.438 312 E N 0.817 120.915 120.200 -0.170 0.000 2.106 312 E HA 0.014 4.364 4.350 -0.000 0.000 0.192 312 E C 2.089 178.649 176.600 -0.067 0.000 0.984 312 E CA 0.765 57.107 56.400 -0.097 0.000 0.806 312 E CB -0.574 29.083 29.700 -0.072 0.000 0.750 312 E HN 0.409 nan 8.360 nan 0.000 0.458 313 L N 0.509 121.690 121.223 -0.070 0.000 2.012 313 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 313 L C 2.102 178.948 176.870 -0.040 0.000 1.073 313 L CA 1.826 56.643 54.840 -0.038 0.000 0.748 313 L CB -0.572 41.466 42.059 -0.035 0.000 0.891 313 L HN 0.327 nan 8.230 nan 0.000 0.431 314 N N -0.631 118.030 118.700 -0.065 0.000 2.120 314 N HA -0.234 4.506 4.740 -0.000 0.000 0.188 314 N C 1.958 177.441 175.510 -0.046 0.000 1.024 314 N CA 0.841 53.858 53.050 -0.055 0.000 0.852 314 N CB -0.083 38.358 38.487 -0.076 0.000 1.003 314 N HN 0.259 nan 8.380 nan 0.000 0.424 315 R N 1.290 121.757 120.500 -0.055 0.000 2.081 315 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 315 R C 2.133 178.415 176.300 -0.029 0.000 1.131 315 R CA 0.984 57.059 56.100 -0.043 0.000 0.960 315 R CB -0.151 30.120 30.300 -0.047 0.000 0.856 315 R HN 0.208 nan 8.270 nan 0.000 0.436 316 L N 0.298 121.505 121.223 -0.025 0.000 2.093 316 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 316 L C 2.608 179.471 176.870 -0.013 0.000 1.085 316 L CA 1.297 56.128 54.840 -0.016 0.000 0.755 316 L CB -0.414 41.641 42.059 -0.007 0.000 0.904 316 L HN 0.268 nan 8.230 nan 0.000 0.435 317 Q N 0.288 120.082 119.800 -0.010 0.000 2.030 317 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 317 Q C 2.250 178.245 176.000 -0.010 0.000 0.986 317 Q CA 1.825 57.625 55.803 -0.005 0.000 0.843 317 Q CB -0.086 28.652 28.738 -0.000 0.000 0.904 317 Q HN 0.426 nan 8.270 nan 0.000 0.420 318 K N 0.344 120.735 120.400 -0.014 0.000 2.032 318 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 318 K C 2.120 178.711 176.600 -0.016 0.000 1.048 318 K CA 1.124 57.402 56.287 -0.014 0.000 0.927 318 K CB -0.186 32.303 32.500 -0.018 0.000 0.712 318 K HN 0.171 nan 8.250 nan 0.000 0.441 319 L N 0.217 121.428 121.223 -0.019 0.000 2.017 319 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 319 L C 2.621 179.475 176.870 -0.027 0.000 1.073 319 L CA 1.477 56.304 54.840 -0.021 0.000 0.745 319 L CB -1.037 41.010 42.059 -0.021 0.000 0.894 319 L HN 0.398 nan 8.230 nan 0.000 0.432 320 G N -0.126 108.659 108.800 -0.026 0.000 2.469 320 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.219 320 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.219 320 G C 1.747 176.626 174.900 -0.034 0.000 1.150 320 G CA 1.229 46.309 45.100 -0.033 0.000 0.763 320 G HN 0.520 nan 8.290 nan 0.000 0.561 321 S N 0.192 115.878 115.700 -0.023 0.000 2.489 321 S HA 0.418 4.888 4.470 -0.000 0.000 0.228 321 S C 2.157 176.745 174.600 -0.019 0.000 0.995 321 S CA 1.081 59.270 58.200 -0.018 0.000 0.934 321 S CB 0.072 63.267 63.200 -0.009 0.000 0.771 321 S HN 0.587 nan 8.310 nan 0.000 0.522 322 A N 0.540 123.347 122.820 -0.022 0.000 2.308 322 A HA 0.624 4.944 4.320 -0.000 0.000 0.217 322 A C 1.627 179.195 177.584 -0.028 0.000 1.216 322 A CA 0.318 52.343 52.037 -0.020 0.000 0.864 322 A CB -0.887 18.104 19.000 -0.015 0.000 0.902 322 A HN 1.468 nan 8.150 nan 0.000 0.499 323 G N -0.761 108.014 108.800 -0.043 0.000 2.147 323 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 323 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 323 G C 0.235 175.104 174.900 -0.052 0.000 1.005 323 G CA 0.565 45.629 45.100 -0.061 0.000 0.713 323 G HN 0.580 nan 8.290 nan 0.000 0.515 324 Q N -0.685 119.091 119.800 -0.040 0.000 2.165 324 Q HA 0.446 4.786 4.340 -0.000 0.000 0.245 324 Q C 0.747 176.731 176.000 -0.028 0.000 0.841 324 Q CA -0.328 55.458 55.803 -0.028 0.000 1.078 324 Q CB 0.681 29.408 28.738 -0.019 0.000 1.169 324 Q HN 0.576 nan 8.270 nan 0.000 0.475 325 L N 1.667 122.867 121.223 -0.038 0.000 2.367 325 L HA 0.173 4.513 4.340 -0.000 0.000 0.275 325 L C 0.827 177.684 176.870 -0.022 0.000 1.129 325 L CA -0.307 54.515 54.840 -0.031 0.000 0.839 325 L CB 0.754 42.790 42.059 -0.039 0.000 1.133 325 L HN 0.209 nan 8.230 nan 0.000 0.453 326 S N 1.050 116.743 115.700 -0.011 0.000 2.624 326 S HA 0.144 4.614 4.470 -0.000 0.000 0.263 326 S C 1.171 175.772 174.600 0.002 0.000 1.287 326 S CA -0.319 57.879 58.200 -0.003 0.000 0.990 326 S CB 1.210 64.410 63.200 0.001 0.000 0.950 326 S HN 0.657 nan 8.310 nan 0.000 0.561 327 T N 1.699 116.259 114.554 0.010 0.000 2.635 327 T HA -0.193 4.156 4.350 -0.000 0.000 0.267 327 T C 1.851 176.559 174.700 0.014 0.000 1.040 327 T CA 1.758 63.868 62.100 0.016 0.000 1.156 327 T CB -0.916 67.964 68.868 0.021 0.000 0.863 327 T HN 0.776 nan 8.240 nan 0.000 0.430 328 N N 0.925 119.632 118.700 0.013 0.000 2.094 328 N HA -0.189 4.551 4.740 -0.000 0.000 0.191 328 N C 1.196 176.714 175.510 0.013 0.000 1.023 328 N CA 1.510 54.568 53.050 0.013 0.000 0.857 328 N CB -0.182 38.312 38.487 0.011 0.000 1.013 328 N HN 0.313 nan 8.380 nan 0.000 0.426 329 D N 0.334 120.739 120.400 0.008 0.000 2.218 329 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 329 D C 1.647 177.954 176.300 0.011 0.000 0.976 329 D CA 0.546 54.550 54.000 0.007 0.000 0.853 329 D CB 0.094 40.893 40.800 -0.001 0.000 0.939 329 D HN 0.284 nan 8.370 nan 0.000 0.481 330 L N 0.448 121.677 121.223 0.010 0.000 2.357 330 L HA 0.232 4.572 4.340 -0.000 0.000 0.211 330 L C 1.126 178.009 176.870 0.020 0.000 1.075 330 L CA 0.291 55.137 54.840 0.010 0.000 0.830 330 L CB -0.323 41.737 42.059 0.002 0.000 0.996 330 L HN 0.029 nan 8.230 nan 0.000 0.467 331 I N -3.239 117.344 120.570 0.023 0.000 2.834 331 I HA 0.554 4.724 4.170 -0.000 0.000 0.305 331 I C 1.291 177.427 176.117 0.032 0.000 1.008 331 I CA 0.084 61.400 61.300 0.027 0.000 1.273 331 I CB 0.696 38.711 38.000 0.026 0.000 1.432 331 I HN 0.304 nan 8.210 nan 0.000 0.557 332 G N 2.500 111.321 108.800 0.034 0.000 2.159 332 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.256 332 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.256 332 G C 0.582 175.515 174.900 0.053 0.000 0.977 332 G CA -0.042 45.082 45.100 0.041 0.000 0.652 332 G HN 1.396 nan 8.290 nan 0.000 0.531 333 G N -0.286 108.547 108.800 0.054 0.000 2.391 333 G HA2 0.472 4.432 3.960 -0.000 0.000 0.234 333 G HA3 0.472 4.432 3.960 -0.000 0.000 0.234 333 G C 1.084 176.033 174.900 0.081 0.000 1.284 333 G CA 1.205 46.347 45.100 0.071 0.000 0.873 333 G HN 1.410 nan 8.290 nan 0.000 0.549 334 T N -1.224 113.403 114.554 0.121 0.000 2.958 334 T HA 0.402 4.752 4.350 -0.000 0.000 0.256 334 T C 0.004 174.830 174.700 0.209 0.000 0.983 334 T CA -0.090 62.089 62.100 0.133 0.000 0.924 334 T CB 0.207 69.157 68.868 0.138 0.000 1.136 334 T HN 0.558 nan 8.240 nan 0.000 0.506 335 F N 0.909 120.864 119.950 0.009 0.000 2.703 335 F HA 0.560 5.087 4.527 -0.000 0.000 0.308 335 F C -1.928 173.896 175.800 0.040 0.000 1.126 335 F CA -0.396 57.602 58.000 -0.002 0.000 0.959 335 F CB 1.768 40.748 39.000 -0.033 0.000 1.297 335 F HN -0.053 nan 8.300 nan 0.000 0.441 336 T N 4.904 119.228 114.554 -0.384 0.000 2.893 336 T HA 0.674 5.024 4.350 -0.000 0.000 0.293 336 T C -1.199 173.369 174.700 -0.220 0.000 1.027 336 T CA -0.597 61.398 62.100 -0.176 0.000 0.988 336 T CB 1.768 70.558 68.868 -0.131 0.000 1.043 336 T HN 0.515 nan 8.240 nan 0.000 0.461 337 L N 1.739 122.972 121.223 0.016 0.000 2.334 337 L HA 0.760 5.100 4.340 -0.000 0.000 0.276 337 L C 0.084 176.967 176.870 0.022 0.000 1.014 337 L CA -0.841 54.024 54.840 0.041 0.000 0.815 337 L CB 2.022 44.205 42.059 0.206 0.000 1.268 337 L HN 0.557 nan 8.230 nan 0.000 0.428 338 S N 1.578 117.264 115.700 -0.023 0.000 2.659 338 S HA 0.293 4.762 4.470 -0.000 0.000 0.312 338 S C -0.488 174.109 174.600 -0.006 0.000 1.114 338 S CA -0.652 57.541 58.200 -0.012 0.000 1.063 338 S CB 0.635 63.810 63.200 -0.041 0.000 0.996 338 S HN 0.596 nan 8.310 nan 0.000 0.478 339 N N 5.243 123.972 118.700 0.048 0.000 3.322 339 N HA 0.170 4.910 4.740 -0.000 0.000 0.290 339 N C 1.373 176.905 175.510 0.037 0.000 1.297 339 N CA -0.611 52.482 53.050 0.073 0.000 1.167 339 N CB -0.429 38.160 38.487 0.169 0.000 1.434 339 N HN 0.811 nan 8.380 nan 0.000 0.526 340 I N -1.500 119.065 120.570 -0.008 0.000 2.264 340 I HA -0.024 4.146 4.170 -0.000 0.000 0.248 340 I C 1.855 177.965 176.117 -0.012 0.000 1.111 340 I CA 1.312 62.601 61.300 -0.017 0.000 1.382 340 I CB -0.526 37.448 38.000 -0.043 0.000 1.060 340 I HN 0.243 nan 8.210 nan 0.000 0.418 341 G N 1.429 110.219 108.800 -0.017 0.000 2.501 341 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 341 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 341 G C 1.737 176.650 174.900 0.021 0.000 1.114 341 G CA 1.009 46.100 45.100 -0.015 0.000 0.757 341 G HN 0.655 nan 8.290 nan 0.000 0.559 342 S N -0.228 115.502 115.700 0.050 0.000 2.442 342 S HA 0.028 4.498 4.470 -0.000 0.000 0.236 342 S C 2.034 176.654 174.600 0.034 0.000 1.007 342 S CA 1.093 59.329 58.200 0.060 0.000 0.965 342 S CB -0.139 63.106 63.200 0.075 0.000 0.773 342 S HN 0.393 nan 8.310 nan 0.000 0.504 343 I N 0.153 120.733 120.570 0.017 0.000 3.443 343 I HA 0.451 4.621 4.170 -0.000 0.000 0.277 343 I C 1.357 177.471 176.117 -0.005 0.000 1.169 343 I CA 0.524 61.828 61.300 0.007 0.000 1.419 343 I CB 0.617 38.619 38.000 0.004 0.000 1.331 343 I HN 0.514 nan 8.210 nan 0.000 0.458 344 G N -0.576 108.214 108.800 -0.017 0.000 2.340 344 G HA2 0.506 4.466 3.960 -0.000 0.000 0.299 344 G HA3 0.506 4.466 3.960 -0.000 0.000 0.299 344 G C -0.917 173.953 174.900 -0.049 0.000 1.291 344 G CA -0.062 45.019 45.100 -0.031 0.000 0.841 344 G HN 0.558 nan 8.290 nan 0.000 0.500 345 G N -2.434 106.329 108.800 -0.062 0.000 2.570 345 G HA2 0.496 4.456 3.960 -0.000 0.000 0.686 345 G HA3 0.496 4.456 3.960 -0.000 0.000 0.686 345 G C 0.343 175.166 174.900 -0.129 0.000 1.257 345 G CA 0.633 45.686 45.100 -0.080 0.000 0.846 345 G HN 2.121 nan 8.290 nan 0.000 0.627 346 T N -2.040 112.418 114.554 -0.160 0.000 3.422 346 T HA 0.537 4.887 4.350 -0.000 0.000 0.192 346 T C 0.939 175.416 174.700 -0.373 0.000 0.857 346 T CA 0.631 62.545 62.100 -0.309 0.000 1.400 346 T CB 0.128 68.804 68.868 -0.320 0.000 1.864 346 T HN 0.774 nan 8.240 nan 0.000 0.415 347 Y N 2.075 122.312 120.300 -0.104 0.000 2.295 347 Y HA 0.727 5.276 4.550 -0.000 0.000 0.331 347 Y C 0.749 176.581 175.900 -0.113 0.000 1.311 347 Y CA -0.370 57.656 58.100 -0.124 0.000 1.430 347 Y CB 0.646 39.035 38.460 -0.118 0.000 1.339 347 Y HN 0.890 nan 8.280 nan 0.000 0.552 348 A N 0.985 123.845 122.820 0.068 0.000 2.581 348 A HA 0.641 4.961 4.320 -0.000 0.000 0.290 348 A C -1.530 176.037 177.584 -0.028 0.000 1.119 348 A CA -0.964 51.069 52.037 -0.008 0.000 0.670 348 A CB 1.904 20.875 19.000 -0.048 0.000 1.280 348 A HN 0.498 nan 8.150 nan 0.000 0.425 349 K N 1.884 122.261 120.400 -0.039 0.000 2.579 349 K HA 0.380 4.700 4.320 -0.000 0.000 0.225 349 K C -2.687 173.892 176.600 -0.034 0.000 0.992 349 K CA -1.426 54.837 56.287 -0.041 0.000 1.018 349 K CB 1.048 33.517 32.500 -0.052 0.000 1.249 349 K HN 0.651 nan 8.250 nan 0.000 0.489 350 P HA 0.133 nan 4.420 nan 0.000 0.274 350 P C -0.385 176.943 177.300 0.047 0.000 1.237 350 P CA -0.522 62.569 63.100 -0.014 0.000 0.793 350 P CB 1.121 32.795 31.700 -0.043 0.000 0.977 351 V N 3.464 123.405 119.914 0.045 0.000 2.370 351 V HA 0.197 4.317 4.120 -0.000 0.000 0.279 351 V C 0.925 177.127 176.094 0.180 0.000 1.029 351 V CA -0.698 61.676 62.300 0.124 0.000 0.870 351 V CB 0.658 32.495 31.823 0.024 0.000 0.984 351 V HN 0.405 nan 8.190 nan 0.000 0.451 352 I N 5.430 126.201 120.570 0.335 0.000 2.752 352 I HA 0.051 4.221 4.170 -0.000 0.000 0.287 352 I C 0.033 176.182 176.117 0.053 0.000 1.188 352 I CA 0.351 61.681 61.300 0.050 0.000 1.427 352 I CB 0.340 38.236 38.000 -0.173 0.000 1.365 352 I HN 0.397 nan 8.210 nan 0.000 0.585 353 L N 8.426 129.649 121.223 -0.001 0.000 2.272 353 L HA 0.371 4.711 4.340 -0.000 0.000 0.284 353 L C -2.220 174.651 176.870 0.001 0.000 1.045 353 L CA -1.918 52.927 54.840 0.008 0.000 0.842 353 L CB 0.295 42.354 42.059 -0.000 0.000 1.224 353 L HN 0.298 nan 8.230 nan 0.000 0.430 354 P HA 0.015 nan 4.420 nan 0.000 0.265 354 P C -1.936 175.368 177.300 0.007 0.000 1.187 354 P CA -0.687 62.416 63.100 0.005 0.000 0.766 354 P CB 0.064 31.774 31.700 0.016 0.000 0.820 355 P HA 0.112 nan 4.420 nan 0.000 0.257 355 P C -0.132 177.157 177.300 -0.019 0.000 1.325 355 P CA 0.201 63.297 63.100 -0.008 0.000 0.850 355 P CB 0.404 32.102 31.700 -0.005 0.000 1.324 356 E N 0.077 120.266 120.200 -0.018 0.000 2.409 356 E HA 0.122 4.471 4.350 -0.000 0.000 0.257 356 E C 1.037 177.603 176.600 -0.056 0.000 1.150 356 E CA -0.198 56.187 56.400 -0.026 0.000 0.942 356 E CB 1.032 30.716 29.700 -0.026 0.000 0.979 356 E HN -0.060 nan 8.360 nan 0.000 0.447 357 V N -2.721 117.155 119.914 -0.063 0.000 3.556 357 V HA 0.582 4.702 4.120 -0.000 0.000 0.287 357 V C 0.171 176.200 176.094 -0.108 0.000 1.422 357 V CA 0.288 62.534 62.300 -0.090 0.000 1.038 357 V CB 0.252 32.023 31.823 -0.086 0.000 0.850 357 V HN 0.558 nan 8.190 nan 0.000 0.437 358 A N 0.167 122.918 122.820 -0.116 0.000 2.587 358 A HA 0.912 5.232 4.320 -0.000 0.000 0.293 358 A C -1.439 175.917 177.584 -0.380 0.000 1.087 358 A CA -0.466 51.470 52.037 -0.169 0.000 0.692 358 A CB 2.414 21.366 19.000 -0.080 0.000 1.291 358 A HN 0.714 nan 8.150 nan 0.000 0.407 359 I N -0.003 120.396 120.570 -0.285 0.000 2.841 359 I HA 0.730 4.900 4.170 -0.000 0.000 0.298 359 I C -0.287 175.784 176.117 -0.077 0.000 1.304 359 I CA -0.397 60.704 61.300 -0.332 0.000 1.019 359 I CB 2.279 40.173 38.000 -0.178 0.000 1.282 359 I HN 0.980 nan 8.210 nan 0.000 0.432 360 G N 4.811 113.522 108.800 -0.149 0.000 2.513 360 G HA2 0.772 4.731 3.960 -0.000 0.000 0.317 360 G HA3 0.772 4.731 3.960 -0.000 0.000 0.317 360 G C -1.542 173.117 174.900 -0.402 0.000 1.277 360 G CA -0.552 44.285 45.100 -0.439 0.000 0.955 360 G HN 0.825 nan 8.290 nan 0.000 0.484 361 A N 2.210 124.772 122.820 -0.430 0.000 2.303 361 A HA 0.760 5.080 4.320 -0.000 0.000 0.320 361 A C -0.324 177.058 177.584 -0.337 0.000 1.192 361 A CA -0.516 51.355 52.037 -0.278 0.000 0.821 361 A CB 0.710 19.600 19.000 -0.183 0.000 1.188 361 A HN 0.665 nan 8.150 nan 0.000 0.492 362 L N 2.853 123.928 121.223 -0.247 0.000 2.289 362 L HA 0.634 4.974 4.340 -0.000 0.000 0.285 362 L C 1.065 177.831 176.870 -0.174 0.000 1.049 362 L CA -0.331 54.359 54.840 -0.249 0.000 0.804 362 L CB 1.579 43.505 42.059 -0.221 0.000 1.195 362 L HN 0.800 nan 8.230 nan 0.000 0.428 363 G N 1.086 109.763 108.800 -0.205 0.000 2.583 363 G HA2 0.440 4.400 3.960 -0.000 0.000 0.280 363 G HA3 0.440 4.400 3.960 -0.000 0.000 0.280 363 G C -0.514 174.302 174.900 -0.141 0.000 1.376 363 G CA -0.496 44.497 45.100 -0.179 0.000 1.043 363 G HN 0.461 nan 8.290 nan 0.000 0.538 364 T N 0.878 115.353 114.554 -0.132 0.000 2.870 364 T HA 0.249 4.599 4.350 -0.000 0.000 0.300 364 T C 0.542 175.160 174.700 -0.136 0.000 0.989 364 T CA 0.205 62.242 62.100 -0.105 0.000 1.139 364 T CB 0.561 69.376 68.868 -0.087 0.000 0.920 364 T HN 0.246 nan 8.240 nan 0.000 0.537 365 I N 3.651 124.135 120.570 -0.143 0.000 2.452 365 I HA 0.275 4.445 4.170 -0.000 0.000 0.287 365 I C 0.631 176.673 176.117 -0.124 0.000 1.079 365 I CA 0.167 61.362 61.300 -0.176 0.000 1.387 365 I CB 0.245 38.072 38.000 -0.289 0.000 1.404 365 I HN 0.380 nan 8.210 nan 0.000 0.522 366 K N 5.032 125.362 120.400 -0.116 0.000 2.502 366 K HA 0.720 5.040 4.320 -0.000 0.000 0.257 366 K C -1.360 175.192 176.600 -0.080 0.000 0.938 366 K CA -0.789 55.445 56.287 -0.088 0.000 0.819 366 K CB 2.290 34.735 32.500 -0.091 0.000 1.333 366 K HN 0.638 nan 8.250 nan 0.000 0.434 367 A N 4.631 127.413 122.820 -0.063 0.000 2.320 367 A HA 0.550 4.870 4.320 -0.000 0.000 0.287 367 A C -0.814 176.732 177.584 -0.063 0.000 1.181 367 A CA -0.446 51.556 52.037 -0.058 0.000 0.831 367 A CB 0.041 19.015 19.000 -0.044 0.000 1.102 367 A HN 0.609 nan 8.150 nan 0.000 0.513 368 L N 3.473 124.653 121.223 -0.071 0.000 2.370 368 L HA 0.444 4.783 4.340 -0.000 0.000 0.266 368 L C -2.499 174.315 176.870 -0.094 0.000 1.002 368 L CA -2.303 52.489 54.840 -0.080 0.000 0.818 368 L CB 2.772 44.781 42.059 -0.084 0.000 1.325 368 L HN 0.425 nan 8.230 nan 0.000 0.418 369 P HA 0.260 nan 4.420 nan 0.000 0.271 369 P C -1.084 176.085 177.300 -0.219 0.000 1.226 369 P CA -0.253 62.755 63.100 -0.154 0.000 0.765 369 P CB 0.613 32.214 31.700 -0.165 0.000 0.835 370 R N 2.229 122.594 120.500 -0.225 0.000 2.740 370 R HA 0.464 4.803 4.340 -0.000 0.000 0.273 370 R C -0.644 175.518 176.300 -0.230 0.000 0.998 370 R CA -0.872 55.080 56.100 -0.246 0.000 0.900 370 R CB 0.966 31.203 30.300 -0.105 0.000 1.223 370 R HN 0.291 nan 8.270 nan 0.000 0.466 371 F N 2.162 122.110 119.950 -0.003 0.000 2.443 371 F HA 0.129 4.655 4.527 -0.000 0.000 0.353 371 F C 1.456 177.255 175.800 -0.002 0.000 1.101 371 F CA -0.394 57.605 58.000 -0.002 0.000 1.226 371 F CB 0.358 39.358 39.000 0.001 0.000 1.140 371 F HN 0.463 nan 8.300 nan 0.000 0.557 372 N N 1.774 120.600 118.700 0.210 0.000 2.418 372 N HA 0.088 4.828 4.740 -0.000 0.000 0.283 372 N C 0.713 176.281 175.510 0.096 0.000 1.267 372 N CA -0.391 52.727 53.050 0.113 0.000 0.975 372 N CB 0.158 38.688 38.487 0.072 0.000 1.167 372 N HN 0.587 nan 8.380 nan 0.000 0.581 373 E N 0.228 120.462 120.200 0.057 0.000 2.049 373 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 373 E C 0.990 177.602 176.600 0.020 0.000 1.007 373 E CA 1.354 57.775 56.400 0.035 0.000 0.809 373 E CB -0.258 29.459 29.700 0.028 0.000 0.749 373 E HN 0.592 nan 8.360 nan 0.000 0.450 374 K N -0.148 120.266 120.400 0.024 0.000 2.574 374 K HA -0.018 4.302 4.320 -0.000 0.000 0.193 374 K C 1.078 177.675 176.600 -0.004 0.000 1.035 374 K CA 0.690 56.983 56.287 0.011 0.000 0.982 374 K CB 0.096 32.606 32.500 0.018 0.000 0.795 374 K HN 0.348 nan 8.250 nan 0.000 0.491 375 G N 2.195 110.996 108.800 0.001 0.000 2.149 375 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.235 375 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.235 375 G C -0.459 174.480 174.900 0.064 0.000 1.018 375 G CA 0.008 45.063 45.100 -0.074 0.000 0.728 375 G HN 0.403 nan 8.290 nan 0.000 0.508 376 E N -0.800 119.501 120.200 0.169 0.000 2.248 376 E HA 0.532 4.882 4.350 -0.000 0.000 0.272 376 E C 0.391 177.157 176.600 0.277 0.000 1.008 376 E CA -0.923 55.591 56.400 0.191 0.000 0.856 376 E CB 2.038 31.796 29.700 0.096 0.000 1.120 376 E HN 0.096 nan 8.360 nan 0.000 0.397 377 V N 2.738 122.766 119.914 0.190 0.000 2.508 377 V HA 0.098 4.218 4.120 -0.000 0.000 0.281 377 V C 0.378 176.474 176.094 0.003 0.000 1.041 377 V CA -0.411 61.906 62.300 0.028 0.000 1.016 377 V CB -0.313 31.485 31.823 -0.042 0.000 0.984 377 V HN 0.838 nan 8.190 nan 0.000 0.478 378 C N 3.712 122.993 119.300 -0.031 0.000 2.973 378 C HA 0.750 5.210 4.460 -0.000 0.000 0.329 378 C C -0.300 174.662 174.990 -0.047 0.000 1.327 378 C CA -1.386 57.618 59.018 -0.022 0.000 1.632 378 C CB 1.726 29.467 27.740 0.001 0.000 2.098 378 C HN 0.858 nan 8.230 nan 0.000 0.469 379 K N 1.300 121.679 120.400 -0.035 0.000 2.253 379 K HA 0.644 4.963 4.320 -0.000 0.000 0.277 379 K C -0.485 176.091 176.600 -0.040 0.000 1.053 379 K CA -0.013 56.249 56.287 -0.041 0.000 0.892 379 K CB 0.842 33.323 32.500 -0.031 0.000 1.102 379 K HN 1.021 nan 8.250 nan 0.000 0.469 380 A N 4.370 127.159 122.820 -0.051 0.000 2.331 380 A HA 0.305 4.625 4.320 -0.000 0.000 0.320 380 A C -0.854 176.695 177.584 -0.058 0.000 1.138 380 A CA -0.845 51.163 52.037 -0.050 0.000 0.790 380 A CB 1.155 20.125 19.000 -0.051 0.000 1.206 380 A HN 0.682 nan 8.150 nan 0.000 0.470 381 Q N 2.344 122.110 119.800 -0.057 0.000 2.324 381 Q HA 0.240 4.580 4.340 -0.000 0.000 0.257 381 Q C -0.514 175.430 176.000 -0.093 0.000 1.080 381 Q CA 0.190 55.949 55.803 -0.074 0.000 0.907 381 Q CB 0.576 29.273 28.738 -0.069 0.000 1.274 381 Q HN 0.520 nan 8.270 nan 0.000 0.434 382 I N 2.872 123.381 120.570 -0.101 0.000 2.412 382 I HA 0.436 4.606 4.170 -0.000 0.000 0.296 382 I C 0.084 176.117 176.117 -0.140 0.000 0.987 382 I CA -0.642 60.593 61.300 -0.108 0.000 1.180 382 I CB 1.400 39.342 38.000 -0.097 0.000 1.340 382 I HN 0.510 nan 8.210 nan 0.000 0.455 383 M N 5.679 125.191 119.600 -0.146 0.000 2.393 383 M HA 0.419 4.899 4.480 -0.000 0.000 0.299 383 M C -1.093 175.094 176.300 -0.189 0.000 1.103 383 M CA -0.507 54.685 55.300 -0.180 0.000 0.910 383 M CB 2.068 34.557 32.600 -0.185 0.000 1.659 383 M HN 0.527 nan 8.290 nan 0.000 0.445 384 N N 1.644 120.173 118.700 -0.284 0.000 2.524 384 N HA 0.547 5.287 4.740 -0.000 0.000 0.283 384 N C -1.400 173.947 175.510 -0.271 0.000 1.142 384 N CA -0.539 52.294 53.050 -0.362 0.000 0.984 384 N CB 2.260 40.239 38.487 -0.847 0.000 1.155 384 N HN 0.345 nan 8.380 nan 0.000 0.467 385 V N 0.776 120.580 119.914 -0.183 0.000 2.709 385 V HA 0.574 4.694 4.120 -0.000 0.000 0.308 385 V C -1.208 174.689 176.094 -0.328 0.000 1.062 385 V CA -0.334 61.765 62.300 -0.334 0.000 0.901 385 V CB 1.836 33.448 31.823 -0.350 0.000 1.003 385 V HN 0.701 nan 8.190 nan 0.000 0.425 386 S N 6.187 121.602 115.700 -0.475 0.000 2.659 386 S HA 0.581 5.050 4.470 -0.000 0.000 0.312 386 S C -1.327 173.012 174.600 -0.435 0.000 1.114 386 S CA -0.418 57.601 58.200 -0.302 0.000 1.063 386 S CB 0.916 64.042 63.200 -0.123 0.000 0.996 386 S HN 0.723 nan 8.310 nan 0.000 0.478 387 W N 1.632 122.936 121.300 0.006 0.000 2.496 387 W HA 0.633 5.292 4.660 -0.000 0.000 0.327 387 W C 0.350 176.865 176.519 -0.008 0.000 1.086 387 W CA -0.548 56.802 57.345 0.009 0.000 1.222 387 W CB 1.186 30.717 29.460 0.119 0.000 1.304 387 W HN 0.384 nan 8.180 nan 0.000 0.547 388 S N 1.452 117.277 115.700 0.209 0.000 2.513 388 S HA 0.887 5.357 4.470 -0.000 0.000 0.299 388 S C -0.688 173.961 174.600 0.081 0.000 1.087 388 S CA -0.710 57.572 58.200 0.137 0.000 1.012 388 S CB 1.572 64.870 63.200 0.164 0.000 1.044 388 S HN 0.545 nan 8.310 nan 0.000 0.485 389 A N 1.501 124.361 122.820 0.066 0.000 2.539 389 A HA 0.642 4.962 4.320 -0.000 0.000 0.296 389 A C -1.387 176.166 177.584 -0.052 0.000 1.073 389 A CA -0.720 51.312 52.037 -0.010 0.000 0.700 389 A CB 1.122 20.135 19.000 0.021 0.000 1.296 389 A HN 0.641 nan 8.150 nan 0.000 0.405 390 D N 0.398 120.738 120.400 -0.100 0.000 2.344 390 D HA 0.091 4.731 4.640 -0.000 0.000 0.253 390 D C 0.509 176.823 176.300 0.023 0.000 1.255 390 D CA 0.322 54.276 54.000 -0.076 0.000 0.894 390 D CB 0.339 41.083 40.800 -0.092 0.000 1.067 390 D HN 0.558 nan 8.370 nan 0.000 0.492 391 H N 4.439 123.495 119.070 -0.024 0.000 2.551 391 H HA 0.135 4.691 4.556 -0.000 0.000 0.266 391 H C 1.398 176.692 175.328 -0.056 0.000 0.977 391 H CA 0.561 56.583 56.048 -0.044 0.000 1.163 391 H CB 0.413 30.177 29.762 0.005 0.000 1.381 391 H HN 0.453 nan 8.280 nan 0.000 0.581 392 R N -0.018 120.532 120.500 0.083 0.000 2.120 392 R HA -0.068 4.272 4.340 -0.000 0.000 0.234 392 R C 1.731 178.041 176.300 0.017 0.000 1.123 392 R CA 1.636 57.747 56.100 0.018 0.000 0.975 392 R CB 0.197 30.498 30.300 0.002 0.000 0.866 392 R HN 0.330 nan 8.270 nan 0.000 0.446 393 I N -2.764 117.816 120.570 0.016 0.000 4.526 393 I HA 0.265 4.435 4.170 -0.000 0.000 0.330 393 I C 0.065 176.172 176.117 -0.015 0.000 1.323 393 I CA 0.282 61.579 61.300 -0.005 0.000 1.218 393 I CB 0.305 38.283 38.000 -0.036 0.000 1.233 393 I HN -0.137 nan 8.210 nan 0.000 0.430 394 I N 4.280 124.832 120.570 -0.030 0.000 2.339 394 I HA 0.263 4.432 4.170 -0.000 0.000 0.290 394 I C -0.662 175.327 176.117 -0.212 0.000 0.994 394 I CA -0.626 60.609 61.300 -0.108 0.000 1.191 394 I CB 1.491 39.409 38.000 -0.137 0.000 1.343 394 I HN 0.126 nan 8.210 nan 0.000 0.458 395 D N 4.189 124.455 120.400 -0.223 0.000 2.332 395 D HA 0.271 4.911 4.640 -0.000 0.000 0.252 395 D C 1.199 177.186 176.300 -0.522 0.000 1.050 395 D CA -0.750 53.050 54.000 -0.333 0.000 0.970 395 D CB 1.347 42.075 40.800 -0.120 0.000 1.141 395 D HN 0.525 nan 8.370 nan 0.000 0.485 396 G N -0.434 107.945 108.800 -0.702 0.000 2.448 396 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.219 396 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.219 396 G C 1.354 176.074 174.900 -0.299 0.000 1.127 396 G CA 0.833 45.567 45.100 -0.609 0.000 0.766 396 G HN 0.638 nan 8.290 nan 0.000 0.552 397 A N 0.563 123.243 122.820 -0.234 0.000 1.873 397 A HA -0.004 4.316 4.320 -0.000 0.000 0.215 397 A C 2.540 179.971 177.584 -0.254 0.000 1.186 397 A CA 2.371 54.300 52.037 -0.180 0.000 0.616 397 A CB -0.970 17.973 19.000 -0.096 0.000 0.823 397 A HN 0.273 nan 8.150 nan 0.000 0.442 398 T N 0.008 114.410 114.554 -0.254 0.000 2.652 398 T HA -0.157 4.192 4.350 -0.000 0.000 0.267 398 T C 1.896 176.295 174.700 -0.502 0.000 1.039 398 T CA 1.810 63.706 62.100 -0.340 0.000 1.153 398 T CB -0.610 68.147 68.868 -0.184 0.000 0.863 398 T HN 0.163 nan 8.240 nan 0.000 0.428 399 V N 1.118 120.791 119.914 -0.402 0.000 2.332 399 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 399 V C 2.711 178.471 176.094 -0.557 0.000 1.055 399 V CA 1.991 64.046 62.300 -0.408 0.000 1.038 399 V CB -0.912 30.776 31.823 -0.224 0.000 0.651 399 V HN 0.468 nan 8.190 nan 0.000 0.450 400 S N -0.556 114.721 115.700 -0.705 0.000 2.348 400 S HA -0.192 4.278 4.470 -0.000 0.000 0.221 400 S C 2.206 176.599 174.600 -0.345 0.000 1.033 400 S CA 1.546 59.297 58.200 -0.749 0.000 1.010 400 S CB -0.220 62.672 63.200 -0.513 0.000 0.891 400 S HN 0.531 nan 8.310 nan 0.000 0.442 401 R N -0.428 119.857 120.500 -0.358 0.000 2.083 401 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 401 R C 2.171 178.211 176.300 -0.434 0.000 1.137 401 R CA 1.802 57.714 56.100 -0.314 0.000 0.951 401 R CB -0.770 29.339 30.300 -0.319 0.000 0.851 401 R HN 0.567 nan 8.270 nan 0.000 0.434 402 F N 1.331 120.694 119.950 -0.979 0.000 2.095 402 F HA -0.255 4.271 4.527 -0.000 0.000 0.298 402 F C 2.623 178.279 175.800 -0.240 0.000 1.104 402 F CA 1.970 59.571 58.000 -0.664 0.000 1.232 402 F CB -0.506 38.055 39.000 -0.731 0.000 0.987 402 F HN -0.088 nan 8.300 nan 0.000 0.475 403 S N 0.248 115.729 115.700 -0.364 0.000 2.383 403 S HA -0.176 4.294 4.470 -0.000 0.000 0.227 403 S C 1.908 176.602 174.600 0.156 0.000 1.026 403 S CA 1.497 59.642 58.200 -0.091 0.000 0.981 403 S CB -0.567 62.828 63.200 0.325 0.000 0.818 403 S HN 0.519 nan 8.310 nan 0.000 0.472 404 N N 1.690 120.440 118.700 0.084 0.000 2.166 404 N HA -0.026 4.714 4.740 -0.000 0.000 0.186 404 N C 1.749 177.290 175.510 0.052 0.000 1.019 404 N CA 0.980 54.092 53.050 0.103 0.000 0.856 404 N CB -0.685 37.849 38.487 0.077 0.000 0.993 404 N HN 0.381 nan 8.380 nan 0.000 0.426 405 L N -0.787 120.441 121.223 0.009 0.000 1.976 405 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 405 L C 2.239 179.080 176.870 -0.049 0.000 1.071 405 L CA 1.415 56.233 54.840 -0.038 0.000 0.746 405 L CB -0.407 41.719 42.059 0.111 0.000 0.890 405 L HN 0.266 nan 8.230 nan 0.000 0.432 406 W N 1.469 122.654 121.300 -0.192 0.000 2.302 406 W HA -0.352 4.308 4.660 -0.000 0.000 0.320 406 W C 2.756 179.330 176.519 0.091 0.000 1.241 406 W CA 2.705 60.025 57.345 -0.043 0.000 1.264 406 W CB -0.280 28.982 29.460 -0.330 0.000 1.154 406 W HN 0.087 nan 8.180 nan 0.000 0.483 407 K N 0.320 120.810 120.400 0.150 0.000 2.097 407 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 407 K C 2.253 178.799 176.600 -0.091 0.000 1.049 407 K CA 2.211 58.485 56.287 -0.022 0.000 0.933 407 K CB -0.644 31.975 32.500 0.199 0.000 0.717 407 K HN 0.249 nan 8.250 nan 0.000 0.442 408 S N -0.295 115.364 115.700 -0.069 0.000 2.382 408 S HA -0.174 4.295 4.470 -0.000 0.000 0.228 408 S C 1.879 176.385 174.600 -0.157 0.000 1.027 408 S CA 0.769 58.913 58.200 -0.092 0.000 0.991 408 S CB -0.665 62.535 63.200 0.000 0.000 0.823 408 S HN 0.404 nan 8.310 nan 0.000 0.469 409 Y N 1.875 122.161 120.300 -0.024 0.000 2.293 409 Y HA 0.199 4.749 4.550 -0.000 0.000 0.291 409 Y C 2.186 178.005 175.900 -0.135 0.000 1.137 409 Y CA 0.437 58.515 58.100 -0.036 0.000 1.202 409 Y CB -0.456 38.015 38.460 0.017 0.000 0.990 409 Y HN 0.263 nan 8.280 nan 0.000 0.537 410 L N -1.053 120.128 121.223 -0.070 0.000 2.249 410 L HA -0.031 4.308 4.340 -0.000 0.000 0.207 410 L C 2.018 178.797 176.870 -0.151 0.000 1.090 410 L CA 0.770 55.529 54.840 -0.134 0.000 0.802 410 L CB -0.313 41.575 42.059 -0.286 0.000 0.947 410 L HN 0.129 nan 8.230 nan 0.000 0.453 411 E N 0.622 120.713 120.200 -0.181 0.000 2.158 411 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 411 E C 0.140 176.582 176.600 -0.263 0.000 0.982 411 E CA 0.601 56.893 56.400 -0.180 0.000 0.823 411 E CB 0.128 29.744 29.700 -0.140 0.000 0.766 411 E HN 0.530 nan 8.360 nan 0.000 0.468 412 N N 1.451 119.890 118.700 -0.434 0.000 2.804 412 N HA 0.137 4.877 4.740 -0.000 0.000 0.251 412 N C -2.444 172.791 175.510 -0.459 0.000 1.250 412 N CA -1.126 51.521 53.050 -0.671 0.000 0.820 412 N CB 1.488 38.969 38.487 -1.678 0.000 1.156 412 N HN -0.056 nan 8.380 nan 0.000 0.512 413 P HA -0.093 nan 4.420 nan 0.000 0.226 413 P C 1.191 178.530 177.300 0.066 0.000 1.146 413 P CA 0.703 63.791 63.100 -0.021 0.000 0.773 413 P CB 0.325 32.009 31.700 -0.027 0.000 0.772 414 A N -1.377 121.469 122.820 0.043 0.000 2.067 414 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 414 A C 1.610 179.419 177.584 0.374 0.000 1.156 414 A CA 0.735 52.875 52.037 0.172 0.000 0.683 414 A CB -1.331 17.767 19.000 0.163 0.000 0.808 414 A HN 0.032 nan 8.150 nan 0.000 0.455 415 F N -0.226 119.810 119.950 0.143 0.000 2.365 415 F HA -0.031 4.496 4.527 -0.000 0.000 0.300 415 F C 2.221 178.206 175.800 0.309 0.000 1.090 415 F CA 0.387 58.510 58.000 0.205 0.000 1.408 415 F CB -0.995 38.108 39.000 0.171 0.000 1.060 415 F HN 0.196 nan 8.300 nan 0.000 0.534 416 M N -1.081 118.767 119.600 0.413 0.000 2.200 416 M HA -0.143 4.337 4.480 -0.000 0.000 0.265 416 M C 2.197 178.564 176.300 0.112 0.000 1.066 416 M CA 0.945 56.331 55.300 0.142 0.000 1.127 416 M CB -0.488 32.134 32.600 0.037 0.000 1.379 416 M HN 0.111 nan 8.290 nan 0.000 0.420 417 L N 0.641 121.948 121.223 0.140 0.000 2.131 417 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 417 L C 2.130 179.057 176.870 0.094 0.000 1.092 417 L CA 1.425 56.326 54.840 0.102 0.000 0.759 417 L CB -0.714 41.408 42.059 0.105 0.000 0.903 417 L HN 0.183 nan 8.230 nan 0.000 0.435 418 L N -0.621 120.677 121.223 0.125 0.000 2.013 418 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 418 L C 1.733 178.644 176.870 0.069 0.000 1.073 418 L CA 2.108 57.004 54.840 0.093 0.000 0.753 418 L CB -0.623 41.494 42.059 0.098 0.000 0.890 418 L HN 0.359 nan 8.230 nan 0.000 0.432 419 D N -1.392 119.054 120.400 0.076 0.000 2.407 419 D HA 0.189 4.829 4.640 -0.000 0.000 0.208 419 D C 0.648 176.964 176.300 0.028 0.000 1.083 419 D CA 0.003 54.033 54.000 0.051 0.000 0.844 419 D CB 0.369 41.208 40.800 0.066 0.000 0.967 419 D HN 0.249 nan 8.370 nan 0.000 0.506 420 L N 0.956 122.193 121.223 0.023 0.000 2.436 420 L HA 0.235 4.575 4.340 -0.000 0.000 0.265 420 L C 0.854 177.732 176.870 0.014 0.000 1.168 420 L CA 0.156 55.003 54.840 0.011 0.000 0.815 420 L CB 0.750 42.813 42.059 0.007 0.000 1.109 420 L HN -0.355 nan 8.230 nan 0.000 0.462 421 K N 0.000 120.405 120.400 0.009 0.000 2.780 421 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 421 K CA 0.000 56.292 56.287 0.008 0.000 0.838 421 K CB 0.000 32.502 32.500 0.004 0.000 1.064 421 K HN 0.000 nan 8.250 nan 0.000 0.543