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 1dq3_1_A DATA FIRST_RESID 1 DATA SEQUENCE CIDGKAKIIF ENEGEEHLTT MEEMYERYKH LGEFYDEEYN RWGIDVSNVP DATA SEQUENCE IYVKSFDPES KRVVKGKVNV IWKYELGKDV TKYEIITNKG TKILTSPWHP DATA SEQUENCE FFVLTPDFKI VEKRADELKE GDILIGGMPD GEDYKFIFDY WLAGFIAGDG DATA SEQUENCE CFDKYHSHVK GHEYIYDRLR IYDYRIETFE IINDYLEKTF GRKYSIQKDR DATA SEQUENCE NIYYIDIKAR NITSHYLKLL EGIDNGIPPQ ILKEGKNAVL SFIAGLFDAE DATA SEQUENCE GHVSNKPGIE LGMVNKRLIE DVTHYLNALG IKARIREKLR KDGIDYVLHV DATA SEQUENCE EEYSSLLRFY ELIGKNLQNE EKREKLEKVL SNHKGGNFGL PLNFNAFKEW DATA SEQUENCE ASEYGVEFKT NGSQTIAIIN DERISLGQWH TRNRVSKAVL VKMLRKLYEA DATA SEQUENCE TKDEEVKRML HLIEGLEVVR HITTTNEPRT FYDLTVENYQ NYLAGENGMI DATA SEQUENCE FVHN 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.796 174.990 -0.323 0.000 1.270 1 C CA 0.000 58.989 59.018 -0.048 0.000 1.963 1 C CB 0.000 27.717 27.740 -0.038 0.000 2.134 2 I N -1.700 118.673 120.570 -0.327 0.000 3.042 2 I HA 0.775 4.932 4.170 -0.022 0.000 0.310 2 I C -0.432 175.198 176.117 -0.812 0.000 1.117 2 I CA -0.355 60.512 61.300 -0.722 0.000 1.003 2 I CB 1.610 39.357 38.000 -0.422 0.000 1.228 2 I HN 0.785 nan 8.210 nan 0.000 0.443 3 D N 2.401 122.177 120.400 -1.040 0.000 2.472 3 D HA 0.153 4.780 4.640 -0.022 0.000 0.237 3 D C 1.445 177.702 176.300 -0.073 0.000 1.141 3 D CA 1.047 54.742 54.000 -0.508 0.000 0.875 3 D CB 1.532 42.156 40.800 -0.293 0.000 1.192 3 D HN 0.786 nan 8.370 nan 0.000 0.450 4 G N 2.889 111.782 108.800 0.155 0.000 2.498 4 G HA2 -0.252 3.695 3.960 -0.022 0.000 0.219 4 G HA3 -0.252 3.695 3.960 -0.022 0.000 0.219 4 G C 1.110 175.985 174.900 -0.042 0.000 1.119 4 G CA 0.417 45.561 45.100 0.074 0.000 0.766 4 G HN 0.538 nan 8.290 nan 0.000 0.552 5 K N 0.363 120.756 120.400 -0.011 0.000 2.459 5 K HA 0.326 4.633 4.320 -0.022 0.000 0.193 5 K C 1.267 177.840 176.600 -0.044 0.000 1.030 5 K CA 0.027 56.300 56.287 -0.024 0.000 1.026 5 K CB 0.328 32.829 32.500 0.003 0.000 0.809 5 K HN 0.269 nan 8.250 nan 0.000 0.504 6 A N 2.216 125.007 122.820 -0.048 0.000 2.477 6 A HA 0.064 4.371 4.320 -0.022 0.000 0.246 6 A C -0.003 177.546 177.584 -0.058 0.000 1.078 6 A CA -0.000 52.011 52.037 -0.043 0.000 0.770 6 A CB 0.299 19.281 19.000 -0.030 0.000 1.011 6 A HN -0.017 nan 8.150 nan 0.000 0.494 7 K N 1.012 121.345 120.400 -0.111 0.000 2.118 7 K HA 0.586 4.893 4.320 -0.022 0.000 0.264 7 K C -0.627 175.958 176.600 -0.024 0.000 1.000 7 K CA -0.100 56.094 56.287 -0.156 0.000 0.929 7 K CB 1.655 33.866 32.500 -0.481 0.000 1.021 7 K HN 0.708 nan 8.250 nan 0.000 0.463 8 I N 1.584 122.178 120.570 0.039 0.000 2.752 8 I HA 0.371 4.528 4.170 -0.022 0.000 0.295 8 I C -1.465 174.749 176.117 0.162 0.000 1.219 8 I CA -0.990 60.391 61.300 0.135 0.000 1.030 8 I CB 1.917 40.038 38.000 0.201 0.000 1.259 8 I HN 0.599 nan 8.210 nan 0.000 0.423 9 I N 7.649 128.307 120.570 0.147 0.000 2.404 9 I HA 0.580 4.737 4.170 -0.022 0.000 0.293 9 I C -1.472 174.771 176.117 0.210 0.000 0.992 9 I CA -0.534 60.815 61.300 0.082 0.000 1.149 9 I CB 1.160 39.147 38.000 -0.023 0.000 1.315 9 I HN 0.602 nan 8.210 nan 0.000 0.446 10 F N 5.510 125.536 119.950 0.127 0.000 2.662 10 F HA 0.703 5.217 4.527 -0.021 0.000 0.312 10 F C -1.386 174.544 175.800 0.217 0.000 1.113 10 F CA -0.816 57.271 58.000 0.145 0.000 0.951 10 F CB 1.118 40.173 39.000 0.090 0.000 1.344 10 F HN 0.510 nan 8.300 nan 0.000 0.462 11 E N 0.653 121.124 120.200 0.452 0.000 2.392 11 E HA 0.552 4.889 4.350 -0.022 0.000 0.269 11 E C -1.452 175.424 176.600 0.460 0.000 0.924 11 E CA -0.987 55.634 56.400 0.369 0.000 0.784 11 E CB 2.490 32.330 29.700 0.233 0.000 1.292 11 E HN 0.615 nan 8.360 nan 0.000 0.447 12 N N 0.556 119.488 118.700 0.388 0.000 2.477 12 N HA 0.001 4.728 4.740 -0.022 0.000 0.167 12 N C -0.241 175.426 175.510 0.261 0.000 1.351 12 N CA -0.112 53.135 53.050 0.327 0.000 1.087 12 N CB -0.222 38.470 38.487 0.341 0.000 1.263 12 N HN 0.598 nan 8.380 nan 0.000 0.408 13 E N 0.730 121.050 120.200 0.201 0.000 2.325 13 E HA 0.333 4.670 4.350 -0.022 0.000 0.295 13 E C 0.391 177.057 176.600 0.110 0.000 1.461 13 E CA -0.010 56.478 56.400 0.146 0.000 1.698 13 E CB -1.007 28.762 29.700 0.114 0.000 1.496 13 E HN 0.659 nan 8.360 nan 0.000 0.474 14 G N 1.732 110.602 108.800 0.117 0.000 2.212 14 G HA2 -0.371 3.576 3.960 -0.022 0.000 0.266 14 G HA3 -0.371 3.576 3.960 -0.022 0.000 0.266 14 G C 0.273 175.199 174.900 0.042 0.000 0.978 14 G CA 0.347 45.487 45.100 0.067 0.000 0.632 14 G HN 0.481 nan 8.290 nan 0.000 0.537 15 E N 1.379 121.614 120.200 0.060 0.000 2.105 15 E HA 0.411 4.748 4.350 -0.022 0.000 0.285 15 E C 0.359 176.896 176.600 -0.104 0.000 1.055 15 E CA -0.324 56.060 56.400 -0.027 0.000 0.843 15 E CB 0.273 29.992 29.700 0.032 0.000 1.067 15 E HN 0.563 nan 8.360 nan 0.000 0.398 16 E N 2.803 122.869 120.200 -0.223 0.000 2.319 16 E HA 0.284 4.621 4.350 -0.022 0.000 0.268 16 E C -0.868 175.335 176.600 -0.662 0.000 1.050 16 E CA -0.401 55.844 56.400 -0.259 0.000 0.878 16 E CB 1.020 30.665 29.700 -0.092 0.000 1.066 16 E HN 0.496 nan 8.360 nan 0.000 0.406 17 H N -0.102 118.710 119.070 -0.431 0.000 2.928 17 H HA 0.496 5.039 4.556 -0.021 0.000 0.371 17 H C -1.410 173.649 175.328 -0.448 0.000 1.186 17 H CA -0.868 54.861 56.048 -0.532 0.000 1.134 17 H CB 1.452 30.642 29.762 -0.953 0.000 1.824 17 H HN 0.183 nan 8.280 nan 0.000 0.554 18 L N 2.060 123.214 121.223 -0.115 0.000 2.457 18 L HA 0.638 4.964 4.340 -0.022 0.000 0.266 18 L C -0.733 176.144 176.870 0.012 0.000 0.979 18 L CA -0.045 54.778 54.840 -0.028 0.000 0.857 18 L CB 0.932 43.015 42.059 0.040 0.000 1.213 18 L HN 0.971 nan 8.230 nan 0.000 0.418 19 T N -0.170 114.421 114.554 0.060 0.000 2.754 19 T HA 0.727 5.064 4.350 -0.022 0.000 0.296 19 T C 0.040 174.766 174.700 0.043 0.000 1.205 19 T CA -0.079 62.063 62.100 0.071 0.000 1.009 19 T CB 1.248 70.210 68.868 0.157 0.000 1.368 19 T HN 0.682 nan 8.240 nan 0.000 0.509 20 T N -0.595 113.960 114.554 0.003 0.000 2.824 20 T HA 0.363 4.699 4.350 -0.022 0.000 0.277 20 T C 1.548 176.215 174.700 -0.055 0.000 0.975 20 T CA -0.966 61.109 62.100 -0.043 0.000 0.966 20 T CB 0.406 69.233 68.868 -0.069 0.000 1.054 20 T HN 0.484 nan 8.240 nan 0.000 0.533 21 M N 0.342 119.872 119.600 -0.116 0.000 2.159 21 M HA -0.037 4.430 4.480 -0.022 0.000 0.263 21 M C 2.157 178.158 176.300 -0.499 0.000 1.063 21 M CA 1.568 56.741 55.300 -0.212 0.000 1.110 21 M CB -1.441 31.065 32.600 -0.156 0.000 1.374 21 M HN 0.789 nan 8.290 nan 0.000 0.411 22 E N 0.378 120.230 120.200 -0.580 0.000 2.023 22 E HA -0.217 4.120 4.350 -0.022 0.000 0.196 22 E C 1.891 178.357 176.600 -0.222 0.000 1.003 22 E CA 1.444 57.469 56.400 -0.625 0.000 0.809 22 E CB -0.255 29.283 29.700 -0.271 0.000 0.755 22 E HN 0.595 nan 8.360 nan 0.000 0.449 23 E N 0.477 120.616 120.200 -0.103 0.000 2.160 23 E HA -0.219 4.118 4.350 -0.022 0.000 0.195 23 E C 2.041 178.668 176.600 0.045 0.000 0.991 23 E CA 0.929 57.327 56.400 -0.004 0.000 0.810 23 E CB -0.166 29.544 29.700 0.017 0.000 0.742 23 E HN 0.275 nan 8.360 nan 0.000 0.466 24 M N -0.135 119.483 119.600 0.030 0.000 2.175 24 M HA -0.182 4.284 4.480 -0.022 0.000 0.264 24 M C 2.121 178.463 176.300 0.070 0.000 1.063 24 M CA 1.364 56.692 55.300 0.047 0.000 1.119 24 M CB -0.034 32.518 32.600 -0.080 0.000 1.377 24 M HN 0.116 nan 8.290 nan 0.000 0.415 25 Y N 1.349 121.602 120.300 -0.078 0.000 2.133 25 Y HA -0.212 4.325 4.550 -0.022 0.000 0.287 25 Y C 2.213 178.133 175.900 0.034 0.000 1.134 25 Y CA 1.849 59.951 58.100 0.003 0.000 1.133 25 Y CB -0.182 38.339 38.460 0.102 0.000 0.987 25 Y HN 0.236 nan 8.280 nan 0.000 0.502 26 E N 0.338 120.688 120.200 0.249 0.000 2.160 26 E HA -0.268 4.069 4.350 -0.022 0.000 0.195 26 E C 2.222 178.852 176.600 0.050 0.000 0.991 26 E CA 1.287 57.776 56.400 0.149 0.000 0.810 26 E CB -0.404 29.355 29.700 0.098 0.000 0.742 26 E HN 0.506 nan 8.360 nan 0.000 0.466 27 R N -0.311 120.203 120.500 0.023 0.000 2.148 27 R HA -0.114 4.213 4.340 -0.022 0.000 0.223 27 R C 0.842 176.981 176.300 -0.268 0.000 1.088 27 R CA 0.960 56.992 56.100 -0.113 0.000 0.985 27 R CB 0.105 30.326 30.300 -0.132 0.000 0.880 27 R HN 0.169 nan 8.270 nan 0.000 0.451 28 Y N -0.586 119.639 120.300 -0.125 0.000 2.612 28 Y HA 0.233 4.770 4.550 -0.022 0.000 0.250 28 Y C 1.535 177.162 175.900 -0.454 0.000 1.175 28 Y CA -0.420 57.502 58.100 -0.298 0.000 1.205 28 Y CB 0.482 38.728 38.460 -0.356 0.000 1.201 28 Y HN -0.071 nan 8.280 nan 0.000 0.532 29 K N 0.797 121.089 120.400 -0.179 0.000 2.103 29 K HA -0.232 4.075 4.320 -0.022 0.000 0.207 29 K C 2.037 178.544 176.600 -0.155 0.000 1.048 29 K CA 1.947 58.116 56.287 -0.196 0.000 0.930 29 K CB -0.233 32.240 32.500 -0.045 0.000 0.716 29 K HN 0.572 nan 8.250 nan 0.000 0.444 30 H N 0.450 119.474 119.070 -0.076 0.000 2.460 30 H HA -0.148 4.395 4.556 -0.022 0.000 0.297 30 H C 1.748 177.055 175.328 -0.035 0.000 1.103 30 H CA 1.146 57.163 56.048 -0.053 0.000 1.292 30 H CB -0.661 29.062 29.762 -0.065 0.000 1.376 30 H HN 0.258 nan 8.280 nan 0.000 0.531 31 L N 0.770 121.641 121.223 -0.587 0.000 2.633 31 L HA 0.063 4.390 4.340 -0.022 0.000 0.235 31 L C 0.787 177.578 176.870 -0.131 0.000 1.163 31 L CA 0.655 55.306 54.840 -0.314 0.000 0.859 31 L CB -0.564 41.298 42.059 -0.329 0.000 0.973 31 L HN 0.608 nan 8.230 nan 0.000 0.451 32 G N 1.503 110.240 108.800 -0.105 0.000 3.190 32 G HA2 -0.152 3.795 3.960 -0.022 0.000 0.686 32 G HA3 -0.152 3.795 3.960 -0.022 0.000 0.686 32 G C -0.464 174.429 174.900 -0.011 0.000 1.033 32 G CA -0.543 44.547 45.100 -0.017 0.000 0.797 32 G HN 0.445 nan 8.290 nan 0.000 0.567 33 E N 1.672 121.893 120.200 0.034 0.000 2.179 33 E HA 0.772 5.109 4.350 -0.022 0.000 0.275 33 E C -0.107 176.638 176.600 0.241 0.000 0.945 33 E CA -1.200 55.223 56.400 0.038 0.000 0.792 33 E CB 1.559 31.303 29.700 0.074 0.000 1.125 33 E HN 1.003 nan 8.360 nan 0.000 0.397 34 F N 0.696 120.782 119.950 0.227 0.000 2.470 34 F HA 0.531 5.045 4.527 -0.022 0.000 0.329 34 F C -1.182 174.758 175.800 0.234 0.000 1.072 34 F CA -1.712 56.416 58.000 0.214 0.000 0.989 34 F CB 0.715 39.767 39.000 0.086 0.000 1.193 34 F HN 0.486 nan 8.300 nan 0.000 0.481 35 Y N 2.414 122.785 120.300 0.118 0.000 2.335 35 Y HA 0.302 4.839 4.550 -0.022 0.000 0.339 35 Y C -0.418 175.473 175.900 -0.015 0.000 0.987 35 Y CA -1.140 56.742 58.100 -0.363 0.000 1.140 35 Y CB 0.765 38.694 38.460 -0.884 0.000 1.173 35 Y HN 0.770 nan 8.280 nan 0.000 0.486 36 D N 6.189 126.292 120.400 -0.497 0.000 2.494 36 D HA 0.058 4.685 4.640 -0.022 0.000 0.217 36 D C 0.537 176.366 176.300 -0.785 0.000 1.153 36 D CA 0.178 53.998 54.000 -0.300 0.000 0.954 36 D CB 0.501 41.323 40.800 0.037 0.000 1.034 36 D HN 0.852 nan 8.370 nan 0.000 0.518 37 E N 2.099 121.897 120.200 -0.670 0.000 2.097 37 E HA -0.239 4.098 4.350 -0.022 0.000 0.196 37 E C 1.228 177.626 176.600 -0.337 0.000 1.000 37 E CA 1.089 57.205 56.400 -0.473 0.000 0.804 37 E CB 0.243 29.891 29.700 -0.086 0.000 0.740 37 E HN 0.635 nan 8.360 nan 0.000 0.454 38 E N -0.065 119.941 120.200 -0.323 0.000 2.077 38 E HA -0.164 4.173 4.350 -0.022 0.000 0.193 38 E C 1.113 177.361 176.600 -0.586 0.000 0.989 38 E CA 1.073 57.205 56.400 -0.448 0.000 0.800 38 E CB -0.023 29.344 29.700 -0.555 0.000 0.746 38 E HN 0.346 nan 8.360 nan 0.000 0.452 39 Y N -0.076 120.090 120.300 -0.224 0.000 2.524 39 Y HA 0.154 4.691 4.550 -0.022 0.000 0.266 39 Y C 0.319 176.098 175.900 -0.202 0.000 1.180 39 Y CA -0.283 57.702 58.100 -0.192 0.000 1.244 39 Y CB -0.037 38.296 38.460 -0.212 0.000 1.125 39 Y HN -0.034 nan 8.280 nan 0.000 0.524 40 N N 2.016 120.586 118.700 -0.216 0.000 2.707 40 N HA -0.260 4.467 4.740 -0.022 0.000 0.253 40 N C -0.533 174.886 175.510 -0.151 0.000 0.998 40 N CA 0.792 53.737 53.050 -0.176 0.000 0.751 40 N CB -0.466 38.046 38.487 0.042 0.000 0.920 40 N HN 0.614 nan 8.380 nan 0.000 0.539 41 R N -1.179 119.087 120.500 -0.391 0.000 2.771 41 R HA 0.639 4.966 4.340 -0.022 0.000 0.274 41 R C -1.177 174.982 176.300 -0.236 0.000 0.987 41 R CA -0.999 54.898 56.100 -0.338 0.000 0.908 41 R CB 0.802 30.671 30.300 -0.719 0.000 1.213 41 R HN 0.092 nan 8.270 nan 0.000 0.468 42 W N 0.776 122.089 121.300 0.022 0.000 2.469 42 W HA 0.655 5.302 4.660 -0.022 0.000 0.320 42 W C 0.321 176.818 176.519 -0.037 0.000 1.086 42 W CA -0.232 57.150 57.345 0.061 0.000 1.211 42 W CB 2.262 31.786 29.460 0.106 0.000 1.298 42 W HN 0.895 nan 8.180 nan 0.000 0.525 43 G N 1.655 110.201 108.800 -0.424 0.000 2.730 43 G HA2 0.881 4.828 3.960 -0.022 0.000 0.289 43 G HA3 0.881 4.828 3.960 -0.022 0.000 0.289 43 G C -1.782 172.478 174.900 -1.068 0.000 1.341 43 G CA -0.951 43.482 45.100 -1.111 0.000 0.932 43 G HN 0.408 nan 8.290 nan 0.000 0.481 44 I N 0.530 120.602 120.570 -0.831 0.000 2.586 44 I HA 0.172 4.329 4.170 -0.022 0.000 0.288 44 I C -1.692 174.235 176.117 -0.317 0.000 1.147 44 I CA -0.698 60.319 61.300 -0.472 0.000 1.047 44 I CB 2.471 40.154 38.000 -0.528 0.000 1.244 44 I HN 0.474 nan 8.210 nan 0.000 0.429 45 D N 5.948 126.302 120.400 -0.077 0.000 2.325 45 D HA 0.307 4.934 4.640 -0.022 0.000 0.251 45 D C 0.538 176.742 176.300 -0.161 0.000 1.196 45 D CA -0.203 53.747 54.000 -0.083 0.000 0.866 45 D CB 1.386 42.186 40.800 0.001 0.000 1.101 45 D HN 0.354 nan 8.370 nan 0.000 0.476 46 V N 1.469 121.248 119.914 -0.225 0.000 3.159 46 V HA 0.150 4.257 4.120 -0.022 0.000 0.333 46 V C 1.541 177.507 176.094 -0.214 0.000 1.424 46 V CA 0.376 62.522 62.300 -0.257 0.000 1.125 46 V CB -0.450 31.115 31.823 -0.431 0.000 1.075 46 V HN 0.498 nan 8.190 nan 0.000 0.482 47 S N 1.182 116.786 115.700 -0.160 0.000 2.400 47 S HA -0.211 4.246 4.470 -0.022 0.000 0.232 47 S C 1.587 176.123 174.600 -0.107 0.000 1.025 47 S CA 1.935 60.058 58.200 -0.128 0.000 0.993 47 S CB -0.738 62.410 63.200 -0.088 0.000 0.808 47 S HN 0.657 nan 8.310 nan 0.000 0.478 48 N N 0.987 119.635 118.700 -0.088 0.000 2.424 48 N HA 0.133 4.860 4.740 -0.022 0.000 0.178 48 N C -0.210 175.267 175.510 -0.054 0.000 1.060 48 N CA 0.323 53.340 53.050 -0.056 0.000 0.901 48 N CB 0.089 38.555 38.487 -0.036 0.000 0.979 48 N HN 0.295 nan 8.380 nan 0.000 0.451 49 V N 4.922 124.784 119.914 -0.086 0.000 2.385 49 V HA 0.165 4.272 4.120 -0.022 0.000 0.269 49 V C -2.022 173.993 176.094 -0.132 0.000 1.043 49 V CA -1.513 60.747 62.300 -0.067 0.000 0.906 49 V CB 1.301 33.085 31.823 -0.065 0.000 0.995 49 V HN 0.034 nan 8.190 nan 0.000 0.467 50 P HA 0.194 nan 4.420 nan 0.000 0.263 50 P C -0.626 176.544 177.300 -0.217 0.000 1.247 50 P CA 0.462 63.466 63.100 -0.160 0.000 0.876 50 P CB 0.277 32.006 31.700 0.047 0.000 0.928 51 I N 4.998 125.297 120.570 -0.452 0.000 2.436 51 I HA 0.344 4.501 4.170 -0.022 0.000 0.289 51 I C -0.395 175.444 176.117 -0.463 0.000 1.010 51 I CA -0.973 60.128 61.300 -0.331 0.000 1.098 51 I CB 1.496 39.235 38.000 -0.436 0.000 1.266 51 I HN 0.207 nan 8.210 nan 0.000 0.434 52 Y N 4.983 125.345 120.300 0.103 0.000 2.462 52 Y HA 0.646 5.183 4.550 -0.022 0.000 0.346 52 Y C 0.077 176.077 175.900 0.167 0.000 0.976 52 Y CA -0.874 57.295 58.100 0.116 0.000 1.044 52 Y CB 2.161 40.691 38.460 0.117 0.000 1.230 52 Y HN 0.305 nan 8.280 nan 0.000 0.455 53 V N -1.117 118.993 119.914 0.325 0.000 3.155 53 V HA 0.646 4.753 4.120 -0.022 0.000 0.313 53 V C -0.867 175.396 176.094 0.281 0.000 1.162 53 V CA -1.729 60.745 62.300 0.291 0.000 1.048 53 V CB 1.968 33.946 31.823 0.258 0.000 1.092 53 V HN 0.627 nan 8.190 nan 0.000 0.447 54 K N 1.287 121.852 120.400 0.275 0.000 2.276 54 K HA 0.644 4.951 4.320 -0.022 0.000 0.285 54 K C -0.469 176.376 176.600 0.408 0.000 1.062 54 K CA 0.040 56.493 56.287 0.277 0.000 0.918 54 K CB 1.290 33.930 32.500 0.233 0.000 1.055 54 K HN 0.826 nan 8.250 nan 0.000 0.477 55 S N 2.071 117.934 115.700 0.272 0.000 2.566 55 S HA 0.440 4.897 4.470 -0.022 0.000 0.298 55 S C -1.340 173.177 174.600 -0.139 0.000 1.083 55 S CA -0.748 57.559 58.200 0.178 0.000 0.978 55 S CB 0.818 64.059 63.200 0.068 0.000 1.073 55 S HN 0.444 nan 8.310 nan 0.000 0.491 56 F N 2.631 122.220 119.950 -0.601 0.000 2.420 56 F HA 0.488 5.002 4.527 -0.022 0.000 0.342 56 F C -0.332 175.121 175.800 -0.579 0.000 1.113 56 F CA -1.284 56.167 58.000 -0.914 0.000 1.059 56 F CB 0.944 38.978 39.000 -1.609 0.000 1.128 56 F HN 0.457 nan 8.300 nan 0.000 0.475 57 D N 8.322 128.032 120.400 -1.150 0.000 2.443 57 D HA 0.379 5.006 4.640 -0.022 0.000 0.221 57 D C -2.087 173.505 176.300 -1.180 0.000 1.097 57 D CA -2.579 50.914 54.000 -0.845 0.000 0.865 57 D CB 1.634 42.137 40.800 -0.494 0.000 1.034 57 D HN 0.225 nan 8.370 nan 0.000 0.511 58 P HA -0.157 nan 4.420 nan 0.000 0.217 58 P C 0.991 178.088 177.300 -0.339 0.000 1.148 58 P CA 0.933 63.608 63.100 -0.707 0.000 0.828 58 P CB 0.403 31.951 31.700 -0.252 0.000 0.783 59 E N -0.139 119.920 120.200 -0.234 0.000 2.001 59 E HA -0.121 4.216 4.350 -0.022 0.000 0.193 59 E C 2.084 178.619 176.600 -0.108 0.000 0.994 59 E CA 1.993 58.328 56.400 -0.107 0.000 0.815 59 E CB -1.100 28.572 29.700 -0.046 0.000 0.770 59 E HN 0.333 nan 8.360 nan 0.000 0.453 60 S N 0.201 115.821 115.700 -0.132 0.000 2.522 60 S HA 0.016 4.473 4.470 -0.022 0.000 0.227 60 S C 0.551 175.088 174.600 -0.106 0.000 0.986 60 S CA 0.316 58.464 58.200 -0.086 0.000 0.929 60 S CB -0.159 63.003 63.200 -0.064 0.000 0.769 60 S HN 0.224 nan 8.310 nan 0.000 0.529 61 K N 0.919 121.174 120.400 -0.242 0.000 3.125 61 K HA -0.191 4.116 4.320 -0.022 0.000 0.268 61 K C -0.031 176.555 176.600 -0.024 0.000 1.078 61 K CA 0.881 57.068 56.287 -0.166 0.000 0.775 61 K CB -1.606 30.910 32.500 0.028 0.000 1.253 61 K HN 0.856 nan 8.250 nan 0.000 0.486 62 R N -2.228 118.174 120.500 -0.163 0.000 2.855 62 R HA 0.626 4.953 4.340 -0.022 0.000 0.266 62 R C -0.755 175.497 176.300 -0.079 0.000 1.034 62 R CA -1.161 54.930 56.100 -0.016 0.000 0.944 62 R CB 1.270 31.566 30.300 -0.006 0.000 1.219 62 R HN -0.080 nan 8.270 nan 0.000 0.474 63 V N 2.097 122.021 119.914 0.016 0.000 2.432 63 V HA 0.350 4.457 4.120 -0.022 0.000 0.275 63 V C 0.375 176.425 176.094 -0.074 0.000 1.043 63 V CA -0.357 61.949 62.300 0.009 0.000 0.925 63 V CB 1.017 32.923 31.823 0.138 0.000 0.985 63 V HN 0.603 nan 8.190 nan 0.000 0.466 64 V N 2.356 122.164 119.914 -0.176 0.000 3.126 64 V HA 0.676 4.783 4.120 -0.022 0.000 0.314 64 V C -0.436 175.590 176.094 -0.113 0.000 1.138 64 V CA -1.398 60.779 62.300 -0.205 0.000 1.034 64 V CB 1.967 33.521 31.823 -0.448 0.000 1.075 64 V HN 0.728 nan 8.190 nan 0.000 0.442 65 K N 1.000 121.369 120.400 -0.051 0.000 2.276 65 K HA 0.641 4.948 4.320 -0.022 0.000 0.285 65 K C 0.044 176.758 176.600 0.191 0.000 1.062 65 K CA 0.166 56.480 56.287 0.044 0.000 0.918 65 K CB 0.710 33.161 32.500 -0.082 0.000 1.055 65 K HN 1.210 nan 8.250 nan 0.000 0.477 66 G N 3.306 112.290 108.800 0.305 0.000 2.372 66 G HA2 0.232 4.179 3.960 -0.022 0.000 0.323 66 G HA3 0.232 4.179 3.960 -0.022 0.000 0.323 66 G C -1.195 173.962 174.900 0.428 0.000 1.152 66 G CA -0.620 44.734 45.100 0.423 0.000 0.906 66 G HN 0.522 nan 8.290 nan 0.000 0.460 67 K N 1.966 122.577 120.400 0.352 0.000 2.339 67 K HA 0.375 4.682 4.320 -0.022 0.000 0.286 67 K C -0.124 176.455 176.600 -0.035 0.000 1.050 67 K CA -0.254 56.069 56.287 0.061 0.000 0.956 67 K CB 0.901 33.450 32.500 0.082 0.000 0.990 67 K HN 0.165 nan 8.250 nan 0.000 0.475 68 V N 5.537 125.348 119.914 -0.172 0.000 2.465 68 V HA 0.195 4.302 4.120 -0.022 0.000 0.279 68 V C 0.547 176.519 176.094 -0.203 0.000 1.045 68 V CA -0.545 61.651 62.300 -0.175 0.000 0.938 68 V CB 1.411 33.074 31.823 -0.268 0.000 0.986 68 V HN 0.862 nan 8.190 nan 0.000 0.467 69 N N 2.239 120.850 118.700 -0.148 0.000 2.397 69 N HA 0.198 4.925 4.740 -0.022 0.000 0.190 69 N C -0.376 175.020 175.510 -0.191 0.000 1.099 69 N CA 0.529 53.493 53.050 -0.144 0.000 0.876 69 N CB 1.513 39.958 38.487 -0.070 0.000 1.143 69 N HN 0.462 nan 8.380 nan 0.000 0.468 70 V N 1.620 121.395 119.914 -0.232 0.000 2.851 70 V HA 0.455 4.562 4.120 -0.022 0.000 0.307 70 V C -0.782 175.015 176.094 -0.495 0.000 1.129 70 V CA -0.753 61.295 62.300 -0.421 0.000 0.932 70 V CB 2.925 34.421 31.823 -0.545 0.000 1.024 70 V HN -0.099 nan 8.190 nan 0.000 0.426 71 I N 2.967 123.208 120.570 -0.549 0.000 2.339 71 I HA 0.431 4.588 4.170 -0.022 0.000 0.290 71 I C -0.879 175.080 176.117 -0.264 0.000 0.994 71 I CA -0.142 60.968 61.300 -0.317 0.000 1.191 71 I CB 1.368 39.203 38.000 -0.274 0.000 1.343 71 I HN 0.581 nan 8.210 nan 0.000 0.458 72 W N 5.730 127.130 121.300 0.168 0.000 2.578 72 W HA 0.570 5.217 4.660 -0.022 0.000 0.346 72 W C -0.003 176.620 176.519 0.174 0.000 1.075 72 W CA -0.702 56.722 57.345 0.132 0.000 1.233 72 W CB 1.291 30.797 29.460 0.077 0.000 1.358 72 W HN 0.240 nan 8.180 nan 0.000 0.574 73 K N 2.312 122.845 120.400 0.221 0.000 2.471 73 K HA 0.428 4.735 4.320 -0.022 0.000 0.252 73 K C -1.867 174.638 176.600 -0.159 0.000 0.938 73 K CA -0.656 55.478 56.287 -0.255 0.000 0.796 73 K CB 1.188 33.303 32.500 -0.641 0.000 1.161 73 K HN 0.527 nan 8.250 nan 0.000 0.425 74 Y N 0.896 121.123 120.300 -0.121 0.000 2.562 74 Y HA 0.362 4.899 4.550 -0.022 0.000 0.343 74 Y C -0.188 175.685 175.900 -0.046 0.000 1.025 74 Y CA -0.796 57.309 58.100 0.008 0.000 1.082 74 Y CB 2.033 40.525 38.460 0.054 0.000 1.264 74 Y HN 0.409 nan 8.280 nan 0.000 0.478 75 E N 3.037 123.350 120.200 0.188 0.000 2.267 75 E HA 0.338 4.675 4.350 -0.022 0.000 0.248 75 E C -1.449 175.177 176.600 0.042 0.000 0.899 75 E CA -0.271 56.176 56.400 0.078 0.000 0.764 75 E CB 1.485 31.253 29.700 0.113 0.000 1.227 75 E HN 0.540 nan 8.360 nan 0.000 0.421 76 L N 1.712 122.878 121.223 -0.095 0.000 2.295 76 L HA 0.606 4.933 4.340 -0.022 0.000 0.285 76 L C 0.886 177.693 176.870 -0.105 0.000 1.035 76 L CA -0.708 54.055 54.840 -0.129 0.000 0.806 76 L CB 1.577 43.430 42.059 -0.344 0.000 1.214 76 L HN 0.431 nan 8.230 nan 0.000 0.426 77 G N 1.420 110.199 108.800 -0.036 0.000 2.753 77 G HA2 0.324 4.271 3.960 -0.022 0.000 0.285 77 G HA3 0.324 4.271 3.960 -0.022 0.000 0.285 77 G C 0.298 175.190 174.900 -0.013 0.000 1.344 77 G CA -0.565 44.522 45.100 -0.020 0.000 1.050 77 G HN 0.648 nan 8.290 nan 0.000 0.532 78 K N 0.289 120.687 120.400 -0.003 0.000 2.520 78 K HA -0.067 4.240 4.320 -0.022 0.000 0.197 78 K C 1.400 178.010 176.600 0.018 0.000 1.043 78 K CA 1.290 57.579 56.287 0.004 0.000 0.944 78 K CB 0.120 32.623 32.500 0.005 0.000 0.770 78 K HN 0.582 nan 8.250 nan 0.000 0.480 79 D N 0.111 120.527 120.400 0.026 0.000 2.347 79 D HA -0.060 4.567 4.640 -0.022 0.000 0.215 79 D C 0.275 176.614 176.300 0.065 0.000 0.976 79 D CA 0.422 54.447 54.000 0.041 0.000 0.884 79 D CB 0.174 40.998 40.800 0.041 0.000 0.915 79 D HN -0.086 nan 8.370 nan 0.000 0.526 80 V N 1.407 121.360 119.914 0.065 0.000 2.588 80 V HA 0.256 4.363 4.120 -0.022 0.000 0.304 80 V C -0.022 176.110 176.094 0.064 0.000 1.042 80 V CA -0.967 61.396 62.300 0.105 0.000 0.877 80 V CB 1.927 33.845 31.823 0.158 0.000 0.996 80 V HN 0.107 nan 8.190 nan 0.000 0.425 81 T N 1.796 116.411 114.554 0.101 0.000 2.749 81 T HA 0.555 4.892 4.350 -0.022 0.000 0.295 81 T C -0.335 174.431 174.700 0.110 0.000 0.936 81 T CA -0.869 61.270 62.100 0.066 0.000 1.060 81 T CB 0.771 69.669 68.868 0.049 0.000 0.904 81 T HN 0.449 nan 8.240 nan 0.000 0.500 82 K N 2.327 122.757 120.400 0.050 0.000 2.218 82 K HA 0.407 4.714 4.320 -0.022 0.000 0.276 82 K C -0.981 175.692 176.600 0.122 0.000 1.022 82 K CA -0.354 56.013 56.287 0.132 0.000 0.946 82 K CB 0.359 32.946 32.500 0.145 0.000 1.000 82 K HN 0.580 nan 8.250 nan 0.000 0.468 83 Y N 0.919 121.250 120.300 0.051 0.000 2.342 83 Y HA 0.191 4.728 4.550 -0.022 0.000 0.338 83 Y C 0.187 176.115 175.900 0.048 0.000 0.965 83 Y CA -0.676 57.449 58.100 0.041 0.000 1.159 83 Y CB 1.352 39.832 38.460 0.034 0.000 1.157 83 Y HN 0.546 nan 8.280 nan 0.000 0.486 84 E N 4.743 125.011 120.200 0.113 0.000 2.146 84 E HA 0.491 4.828 4.350 -0.022 0.000 0.282 84 E C -1.236 175.411 176.600 0.079 0.000 0.989 84 E CA -0.314 56.136 56.400 0.084 0.000 0.799 84 E CB 0.637 30.362 29.700 0.041 0.000 1.088 84 E HN 0.611 nan 8.360 nan 0.000 0.397 85 I N 5.884 126.495 120.570 0.069 0.000 2.406 85 I HA 0.340 4.497 4.170 -0.022 0.000 0.290 85 I C -0.549 175.583 176.117 0.025 0.000 0.999 85 I CA -0.928 60.385 61.300 0.022 0.000 1.124 85 I CB 1.353 39.310 38.000 -0.072 0.000 1.289 85 I HN 0.453 nan 8.210 nan 0.000 0.441 86 I N 5.097 125.685 120.570 0.030 0.000 2.465 86 I HA 0.317 4.474 4.170 -0.022 0.000 0.291 86 I C 0.575 176.683 176.117 -0.014 0.000 1.014 86 I CA -0.337 60.986 61.300 0.038 0.000 1.093 86 I CB 1.938 40.005 38.000 0.111 0.000 1.267 86 I HN 0.589 nan 8.210 nan 0.000 0.431 87 T N 1.721 116.257 114.554 -0.030 0.000 2.849 87 T HA 0.204 4.541 4.350 -0.022 0.000 0.276 87 T C 1.363 176.000 174.700 -0.105 0.000 0.971 87 T CA -0.651 61.405 62.100 -0.074 0.000 0.949 87 T CB 0.986 69.822 68.868 -0.054 0.000 1.093 87 T HN 0.618 nan 8.240 nan 0.000 0.545 88 N N 0.540 119.140 118.700 -0.167 0.000 2.205 88 N HA -0.190 4.537 4.740 -0.022 0.000 0.186 88 N C 1.408 176.829 175.510 -0.147 0.000 1.015 88 N CA 1.158 54.070 53.050 -0.230 0.000 0.862 88 N CB -0.355 37.892 38.487 -0.400 0.000 0.986 88 N HN 0.666 nan 8.380 nan 0.000 0.429 89 K N 0.026 120.366 120.400 -0.100 0.000 2.365 89 K HA -0.018 4.289 4.320 -0.022 0.000 0.199 89 K C 0.658 177.235 176.600 -0.039 0.000 1.045 89 K CA 0.799 57.049 56.287 -0.061 0.000 0.962 89 K CB -0.152 32.322 32.500 -0.042 0.000 0.759 89 K HN 0.500 nan 8.250 nan 0.000 0.469 90 G N 0.442 109.223 108.800 -0.031 0.000 2.195 90 G HA2 -0.206 3.741 3.960 -0.022 0.000 0.224 90 G HA3 -0.206 3.741 3.960 -0.022 0.000 0.224 90 G C 0.159 175.064 174.900 0.008 0.000 0.990 90 G CA 0.256 45.354 45.100 -0.004 0.000 0.639 90 G HN 0.315 nan 8.290 nan 0.000 0.514 91 T N 1.546 116.101 114.554 0.001 0.000 2.908 91 T HA 0.370 4.707 4.350 -0.022 0.000 0.301 91 T C 0.284 175.003 174.700 0.031 0.000 1.019 91 T CA 0.973 63.084 62.100 0.017 0.000 1.152 91 T CB 1.310 70.184 68.868 0.010 0.000 0.966 91 T HN 0.520 nan 8.240 nan 0.000 0.540 92 K N 3.430 123.857 120.400 0.046 0.000 2.292 92 K HA 0.507 4.814 4.320 -0.022 0.000 0.257 92 K C -1.290 175.338 176.600 0.047 0.000 0.940 92 K CA -0.785 55.529 56.287 0.046 0.000 0.811 92 K CB 0.749 33.276 32.500 0.044 0.000 1.120 92 K HN 0.364 nan 8.250 nan 0.000 0.428 93 I N 5.793 126.397 120.570 0.056 0.000 2.503 93 I HA 0.192 4.349 4.170 -0.022 0.000 0.282 93 I C -1.169 174.975 176.117 0.045 0.000 1.059 93 I CA -0.836 60.501 61.300 0.061 0.000 1.081 93 I CB 1.268 39.380 38.000 0.186 0.000 1.210 93 I HN 0.578 nan 8.210 nan 0.000 0.450 94 L N 6.861 128.055 121.223 -0.048 0.000 2.265 94 L HA 0.696 5.023 4.340 -0.022 0.000 0.289 94 L C 0.036 176.767 176.870 -0.232 0.000 1.033 94 L CA 0.784 55.590 54.840 -0.057 0.000 0.814 94 L CB 1.357 43.385 42.059 -0.051 0.000 1.203 94 L HN 0.723 nan 8.230 nan 0.000 0.423 95 T N 1.990 116.521 114.554 -0.039 0.000 2.654 95 T HA 0.659 4.996 4.350 -0.022 0.000 0.289 95 T C -0.669 174.123 174.700 0.154 0.000 1.062 95 T CA 0.056 62.090 62.100 -0.110 0.000 1.041 95 T CB 1.157 69.896 68.868 -0.216 0.000 1.417 95 T HN 0.747 nan 8.240 nan 0.000 0.510 96 S N 0.847 116.479 115.700 -0.113 0.000 2.646 96 S HA 0.486 4.943 4.470 -0.022 0.000 0.276 96 S C -2.056 172.276 174.600 -0.447 0.000 1.222 96 S CA -1.063 56.871 58.200 -0.443 0.000 1.014 96 S CB 1.069 63.528 63.200 -1.235 0.000 0.991 96 S HN 0.502 nan 8.310 nan 0.000 0.533 97 P HA -0.061 nan 4.420 nan 0.000 0.216 97 P C 0.888 178.100 177.300 -0.146 0.000 1.150 97 P CA 1.324 64.279 63.100 -0.240 0.000 0.837 97 P CB -0.114 31.641 31.700 0.091 0.000 0.786 98 W N -2.573 118.719 121.300 -0.013 0.000 3.077 98 W HA 0.217 4.864 4.660 -0.022 0.000 0.266 98 W C 0.469 176.982 176.519 -0.011 0.000 1.300 98 W CA -0.308 57.020 57.345 -0.027 0.000 1.586 98 W CB -1.875 27.568 29.460 -0.029 0.000 1.103 98 W HN -0.080 nan 8.180 nan 0.000 0.652 99 H N 4.718 123.564 119.070 -0.374 0.000 3.145 99 H HA 0.099 4.641 4.556 -0.022 0.000 0.288 99 H C -1.947 173.304 175.328 -0.128 0.000 0.969 99 H CA -1.081 54.811 56.048 -0.260 0.000 1.444 99 H CB 0.649 30.190 29.762 -0.368 0.000 1.500 99 H HN -0.100 nan 8.280 nan 0.000 0.552 100 P HA 0.168 nan 4.420 nan 0.000 0.286 100 P C -1.163 175.924 177.300 -0.356 0.000 1.261 100 P CA -0.316 62.638 63.100 -0.243 0.000 0.821 100 P CB 1.294 32.775 31.700 -0.365 0.000 1.013 101 F N 0.425 120.237 119.950 -0.231 0.000 2.579 101 F HA 0.452 4.966 4.527 -0.022 0.000 0.324 101 F C 0.366 176.054 175.800 -0.186 0.000 1.058 101 F CA -0.809 57.089 58.000 -0.169 0.000 0.944 101 F CB 0.853 39.833 39.000 -0.033 0.000 1.245 101 F HN 0.109 nan 8.300 nan 0.000 0.477 102 F N 1.747 121.845 119.950 0.247 0.000 2.445 102 F HA 0.499 5.013 4.527 -0.022 0.000 0.359 102 F C 0.053 175.923 175.800 0.116 0.000 1.101 102 F CA -0.647 57.450 58.000 0.161 0.000 1.177 102 F CB 0.714 39.799 39.000 0.143 0.000 1.110 102 F HN -0.060 nan 8.300 nan 0.000 0.522 103 V N 5.323 125.395 119.914 0.264 0.000 2.555 103 V HA 0.374 4.481 4.120 -0.022 0.000 0.302 103 V C -0.753 175.405 176.094 0.107 0.000 1.038 103 V CA -0.942 61.441 62.300 0.138 0.000 0.887 103 V CB 2.067 33.938 31.823 0.079 0.000 0.991 103 V HN 0.464 nan 8.190 nan 0.000 0.434 104 L N 5.642 126.891 121.223 0.045 0.000 2.264 104 L HA 0.622 4.949 4.340 -0.022 0.000 0.289 104 L C 0.625 177.471 176.870 -0.039 0.000 1.044 104 L CA 0.463 55.302 54.840 -0.001 0.000 0.807 104 L CB 1.420 43.444 42.059 -0.058 0.000 1.192 104 L HN 0.908 nan 8.230 nan 0.000 0.425 105 T N 2.353 116.893 114.554 -0.023 0.000 2.874 105 T HA 0.436 4.773 4.350 -0.022 0.000 0.281 105 T C -1.837 172.812 174.700 -0.084 0.000 0.994 105 T CA -1.607 60.478 62.100 -0.026 0.000 1.015 105 T CB 0.927 69.808 68.868 0.021 0.000 1.028 105 T HN 0.485 nan 8.240 nan 0.000 0.523 106 P HA -0.082 nan 4.420 nan 0.000 0.217 106 P C 0.769 178.086 177.300 0.028 0.000 1.148 106 P CA 1.049 64.123 63.100 -0.043 0.000 0.828 106 P CB 0.006 31.720 31.700 0.024 0.000 0.783 107 D N -2.006 118.453 120.400 0.097 0.000 2.323 107 D HA 0.076 4.703 4.640 -0.022 0.000 0.239 107 D C -0.103 176.420 176.300 0.371 0.000 1.129 107 D CA 0.122 54.261 54.000 0.231 0.000 0.865 107 D CB -0.375 40.512 40.800 0.144 0.000 0.913 107 D HN 0.124 nan 8.370 nan 0.000 0.517 108 F N 0.111 120.100 119.950 0.065 0.000 3.080 108 F HA -0.272 4.242 4.527 -0.022 0.000 0.292 108 F C 0.413 176.233 175.800 0.034 0.000 0.891 108 F CA 0.570 58.597 58.000 0.044 0.000 1.086 108 F CB -1.867 37.148 39.000 0.024 0.000 1.095 108 F HN -0.141 nan 8.300 nan 0.000 0.633 109 K N 0.453 120.938 120.400 0.142 0.000 2.207 109 K HA 0.743 5.049 4.320 -0.022 0.000 0.255 109 K C -0.040 176.624 176.600 0.107 0.000 0.941 109 K CA -0.908 55.451 56.287 0.121 0.000 0.825 109 K CB 2.061 34.623 32.500 0.103 0.000 1.119 109 K HN 0.068 nan 8.250 nan 0.000 0.430 110 I N 3.595 124.242 120.570 0.129 0.000 2.315 110 I HA 0.230 4.387 4.170 -0.022 0.000 0.291 110 I C -0.057 176.171 176.117 0.187 0.000 1.006 110 I CA -0.810 60.593 61.300 0.171 0.000 1.265 110 I CB 1.093 39.220 38.000 0.212 0.000 1.387 110 I HN 0.310 nan 8.210 nan 0.000 0.475 111 V N 2.208 122.236 119.914 0.190 0.000 3.078 111 V HA 0.589 4.696 4.120 -0.022 0.000 0.311 111 V C -0.744 175.440 176.094 0.149 0.000 1.138 111 V CA -0.849 61.541 62.300 0.151 0.000 1.007 111 V CB 2.092 33.968 31.823 0.087 0.000 1.045 111 V HN 0.696 nan 8.190 nan 0.000 0.432 112 E N 1.564 121.798 120.200 0.056 0.000 2.197 112 E HA 0.619 4.956 4.350 -0.022 0.000 0.281 112 E C -1.059 175.513 176.600 -0.047 0.000 0.995 112 E CA -0.651 55.709 56.400 -0.066 0.000 0.808 112 E CB 1.829 31.385 29.700 -0.241 0.000 1.093 112 E HN 0.639 nan 8.360 nan 0.000 0.394 113 K N 2.745 123.132 120.400 -0.023 0.000 2.468 113 K HA 0.339 4.646 4.320 -0.022 0.000 0.252 113 K C -0.604 176.014 176.600 0.031 0.000 0.932 113 K CA -0.888 55.397 56.287 -0.002 0.000 0.794 113 K CB 2.240 34.744 32.500 0.006 0.000 1.241 113 K HN 0.458 nan 8.250 nan 0.000 0.428 114 R N 0.890 121.393 120.500 0.005 0.000 2.679 114 R HA 0.292 4.619 4.340 -0.022 0.000 0.269 114 R C 0.853 177.153 176.300 0.001 0.000 1.076 114 R CA -0.015 56.100 56.100 0.025 0.000 1.160 114 R CB 0.225 30.527 30.300 0.004 0.000 1.054 114 R HN 0.724 nan 8.270 nan 0.000 0.507 115 A N 1.625 124.462 122.820 0.030 0.000 1.986 115 A HA -0.262 4.045 4.320 -0.022 0.000 0.220 115 A C 1.423 178.715 177.584 -0.487 0.000 1.171 115 A CA 1.989 53.952 52.037 -0.123 0.000 0.640 115 A CB -0.807 18.180 19.000 -0.022 0.000 0.811 115 A HN 0.949 nan 8.150 nan 0.000 0.451 116 D N -0.685 119.328 120.400 -0.646 0.000 2.363 116 D HA -0.055 4.572 4.640 -0.022 0.000 0.220 116 D C 1.317 177.519 176.300 -0.163 0.000 0.994 116 D CA 1.049 54.660 54.000 -0.648 0.000 0.890 116 D CB -0.372 40.152 40.800 -0.460 0.000 0.906 116 D HN 0.641 nan 8.370 nan 0.000 0.530 117 E N -0.162 119.965 120.200 -0.122 0.000 2.415 117 E HA 0.153 4.490 4.350 -0.022 0.000 0.197 117 E C 0.582 177.156 176.600 -0.043 0.000 1.007 117 E CA -0.249 56.123 56.400 -0.048 0.000 0.890 117 E CB 0.486 30.166 29.700 -0.033 0.000 0.891 117 E HN 0.309 nan 8.360 nan 0.000 0.496 118 L N 2.362 123.537 121.223 -0.080 0.000 2.483 118 L HA 0.091 4.418 4.340 -0.022 0.000 0.275 118 L C 0.353 177.200 176.870 -0.037 0.000 1.220 118 L CA 0.536 55.322 54.840 -0.090 0.000 0.833 118 L CB 0.277 42.221 42.059 -0.192 0.000 1.102 118 L HN 0.027 nan 8.230 nan 0.000 0.490 119 K N 0.823 121.199 120.400 -0.040 0.000 2.532 119 K HA 0.417 4.724 4.320 -0.022 0.000 0.265 119 K C -1.192 175.389 176.600 -0.032 0.000 0.948 119 K CA -0.986 55.291 56.287 -0.017 0.000 0.842 119 K CB 1.599 34.097 32.500 -0.004 0.000 1.392 119 K HN 0.368 nan 8.250 nan 0.000 0.436 120 E N 0.302 120.485 120.200 -0.028 0.000 2.608 120 E HA 0.039 4.376 4.350 -0.022 0.000 0.259 120 E C 0.729 177.312 176.600 -0.028 0.000 0.951 120 E CA 1.734 58.106 56.400 -0.046 0.000 0.945 120 E CB 0.119 29.789 29.700 -0.050 0.000 0.916 120 E HN 0.916 nan 8.360 nan 0.000 0.477 121 G N 3.110 111.895 108.800 -0.024 0.000 2.194 121 G HA2 -0.209 3.737 3.960 -0.022 0.000 0.236 121 G HA3 -0.209 3.737 3.960 -0.022 0.000 0.236 121 G C -0.121 174.789 174.900 0.016 0.000 0.987 121 G CA -0.126 44.987 45.100 0.022 0.000 0.635 121 G HN 0.577 nan 8.290 nan 0.000 0.520 122 D N 0.488 120.878 120.400 -0.016 0.000 2.372 122 D HA 0.401 5.028 4.640 -0.022 0.000 0.243 122 D C 0.923 177.214 176.300 -0.014 0.000 1.121 122 D CA 0.168 54.154 54.000 -0.023 0.000 0.898 122 D CB 0.930 41.702 40.800 -0.048 0.000 1.202 122 D HN 0.316 nan 8.370 nan 0.000 0.428 123 I N 2.816 123.380 120.570 -0.010 0.000 2.312 123 I HA 0.144 4.301 4.170 -0.022 0.000 0.291 123 I C 0.201 176.323 176.117 0.008 0.000 1.031 123 I CA -0.414 60.885 61.300 -0.003 0.000 1.293 123 I CB 0.519 38.501 38.000 -0.030 0.000 1.403 123 I HN 0.047 nan 8.210 nan 0.000 0.484 124 L N 6.379 127.612 121.223 0.018 0.000 2.343 124 L HA 0.459 4.786 4.340 -0.022 0.000 0.275 124 L C 0.007 176.918 176.870 0.068 0.000 1.056 124 L CA -0.951 53.925 54.840 0.061 0.000 0.804 124 L CB 1.513 43.605 42.059 0.055 0.000 1.203 124 L HN 0.393 nan 8.230 nan 0.000 0.440 125 I N 2.235 122.870 120.570 0.108 0.000 2.379 125 I HA 0.245 4.402 4.170 -0.022 0.000 0.290 125 I C 0.769 176.968 176.117 0.137 0.000 1.063 125 I CA 0.393 61.708 61.300 0.025 0.000 1.351 125 I CB 0.366 38.259 38.000 -0.178 0.000 1.410 125 I HN 0.651 nan 8.210 nan 0.000 0.505 126 G N 4.202 113.043 108.800 0.068 0.000 3.016 126 G HA2 0.588 4.535 3.960 -0.022 0.000 0.270 126 G HA3 0.588 4.535 3.960 -0.022 0.000 0.270 126 G C 0.027 174.885 174.900 -0.070 0.000 1.352 126 G CA -0.810 44.288 45.100 -0.005 0.000 1.060 126 G HN 0.684 nan 8.290 nan 0.000 0.538 127 G N -0.222 108.452 108.800 -0.210 0.000 2.224 127 G HA2 0.450 4.397 3.960 -0.022 0.000 0.239 127 G HA3 0.450 4.397 3.960 -0.022 0.000 0.239 127 G C 0.151 175.034 174.900 -0.028 0.000 1.240 127 G CA 0.455 45.436 45.100 -0.198 0.000 0.896 127 G HN 0.815 nan 8.290 nan 0.000 0.496 128 M N 2.497 122.128 119.600 0.052 0.000 2.593 128 M HA 0.617 5.084 4.480 -0.022 0.000 0.290 128 M C -2.832 173.471 176.300 0.004 0.000 1.244 128 M CA -2.478 52.856 55.300 0.056 0.000 0.857 128 M CB 2.438 35.108 32.600 0.116 0.000 1.738 128 M HN 0.204 nan 8.290 nan 0.000 0.461 129 P HA 0.131 nan 4.420 nan 0.000 0.272 129 P C -0.940 176.150 177.300 -0.351 0.000 1.230 129 P CA 0.164 63.133 63.100 -0.219 0.000 0.788 129 P CB 0.532 32.055 31.700 -0.295 0.000 0.949 130 D N -1.067 119.198 120.400 -0.225 0.000 2.398 130 D HA 0.146 4.773 4.640 -0.022 0.000 0.210 130 D C 1.481 177.704 176.300 -0.128 0.000 1.094 130 D CA 0.213 54.131 54.000 -0.136 0.000 0.839 130 D CB -0.557 40.242 40.800 -0.001 0.000 0.963 130 D HN 0.584 nan 8.370 nan 0.000 0.506 131 G N 0.266 108.928 108.800 -0.229 0.000 2.284 131 G HA2 -0.411 3.536 3.960 -0.022 0.000 0.268 131 G HA3 -0.411 3.536 3.960 -0.022 0.000 0.268 131 G C 0.298 175.275 174.900 0.127 0.000 0.980 131 G CA 0.780 45.915 45.100 0.058 0.000 0.631 131 G HN 0.495 nan 8.290 nan 0.000 0.548 132 E N 0.765 121.004 120.200 0.065 0.000 2.478 132 E HA 0.218 4.555 4.350 -0.022 0.000 0.262 132 E C -0.154 176.408 176.600 -0.063 0.000 1.243 132 E CA 0.245 56.611 56.400 -0.056 0.000 1.039 132 E CB 0.331 29.893 29.700 -0.229 0.000 0.983 132 E HN 0.367 nan 8.360 nan 0.000 0.479 133 D N -0.306 119.993 120.400 -0.168 0.000 2.253 133 D HA 0.264 4.891 4.640 -0.022 0.000 0.249 133 D C -0.937 175.181 176.300 -0.303 0.000 1.049 133 D CA 0.104 54.066 54.000 -0.063 0.000 0.929 133 D CB 0.745 41.538 40.800 -0.012 0.000 1.176 133 D HN 0.216 nan 8.370 nan 0.000 0.437 134 Y N 0.172 120.493 120.300 0.034 0.000 2.512 134 Y HA 0.311 4.847 4.550 -0.022 0.000 0.348 134 Y C 0.365 176.305 175.900 0.066 0.000 0.990 134 Y CA -0.870 57.257 58.100 0.045 0.000 1.033 134 Y CB 1.841 40.323 38.460 0.037 0.000 1.259 134 Y HN -0.104 nan 8.280 nan 0.000 0.461 135 K N 2.298 122.826 120.400 0.213 0.000 2.221 135 K HA 0.394 4.701 4.320 -0.022 0.000 0.258 135 K C -1.501 175.247 176.600 0.247 0.000 0.944 135 K CA -0.845 55.557 56.287 0.192 0.000 0.823 135 K CB 2.131 34.707 32.500 0.127 0.000 1.113 135 K HN 0.513 nan 8.250 nan 0.000 0.431 136 F N 3.809 123.816 119.950 0.095 0.000 2.420 136 F HA 0.363 4.876 4.527 -0.024 0.000 0.352 136 F C -0.469 175.412 175.800 0.135 0.000 1.108 136 F CA -0.807 57.252 58.000 0.097 0.000 1.162 136 F CB 0.415 39.442 39.000 0.044 0.000 1.118 136 F HN 0.343 nan 8.300 nan 0.000 0.510 137 I N 8.533 128.839 120.570 -0.440 0.000 2.382 137 I HA 0.128 4.285 4.170 -0.022 0.000 0.285 137 I C 0.393 176.205 176.117 -0.509 0.000 1.007 137 I CA -0.554 60.591 61.300 -0.258 0.000 1.142 137 I CB 1.290 39.367 38.000 0.128 0.000 1.289 137 I HN 0.692 nan 8.210 nan 0.000 0.453 138 F N 4.584 124.177 119.950 -0.596 0.000 2.161 138 F HA -0.260 4.257 4.527 -0.017 0.000 0.300 138 F C 2.069 177.670 175.800 -0.331 0.000 1.089 138 F CA 2.073 59.752 58.000 -0.534 0.000 1.282 138 F CB 0.108 38.778 39.000 -0.551 0.000 1.010 138 F HN 0.605 nan 8.300 nan 0.000 0.485 139 D N -0.691 119.625 120.400 -0.141 0.000 2.133 139 D HA -0.271 4.356 4.640 -0.022 0.000 0.195 139 D C 1.999 178.291 176.300 -0.013 0.000 0.997 139 D CA 1.863 55.862 54.000 -0.003 0.000 0.840 139 D CB -0.444 40.337 40.800 -0.031 0.000 0.947 139 D HN 0.395 nan 8.370 nan 0.000 0.452 140 Y N -1.398 118.962 120.300 0.100 0.000 2.395 140 Y HA 0.034 4.572 4.550 -0.020 0.000 0.293 140 Y C 2.000 177.962 175.900 0.103 0.000 1.123 140 Y CA 0.578 58.763 58.100 0.141 0.000 1.227 140 Y CB -0.811 37.703 38.460 0.091 0.000 1.012 140 Y HN 0.176 nan 8.280 nan 0.000 0.552 141 W N 0.302 121.514 121.300 -0.146 0.000 2.379 141 W HA -0.197 4.450 4.660 -0.021 0.000 0.307 141 W C 2.066 178.441 176.519 -0.241 0.000 1.200 141 W CA 1.324 58.528 57.345 -0.234 0.000 1.297 141 W CB -0.535 28.633 29.460 -0.486 0.000 1.140 141 W HN 0.060 nan 8.180 nan 0.000 0.507 142 L N 1.766 122.838 121.223 -0.251 0.000 2.079 142 L HA -0.059 4.268 4.340 -0.022 0.000 0.210 142 L C 2.392 179.107 176.870 -0.259 0.000 1.081 142 L CA 2.626 57.262 54.840 -0.341 0.000 0.752 142 L CB -1.473 40.529 42.059 -0.096 0.000 0.896 142 L HN 0.112 nan 8.230 nan 0.000 0.433 143 A N -0.758 122.100 122.820 0.063 0.000 1.933 143 A HA -0.042 4.265 4.320 -0.022 0.000 0.218 143 A C 2.332 179.996 177.584 0.134 0.000 1.175 143 A CA 1.450 53.650 52.037 0.271 0.000 0.628 143 A CB -1.423 17.911 19.000 0.557 0.000 0.814 143 A HN 0.509 nan 8.150 nan 0.000 0.444 144 G N -1.678 107.056 108.800 -0.109 0.000 2.403 144 G HA2 -0.151 3.796 3.960 -0.022 0.000 0.216 144 G HA3 -0.151 3.796 3.960 -0.022 0.000 0.216 144 G C 1.429 176.001 174.900 -0.546 0.000 1.154 144 G CA 1.005 45.695 45.100 -0.684 0.000 0.784 144 G HN 0.451 nan 8.290 nan 0.000 0.538 145 F N 1.209 120.693 119.950 -0.777 0.000 2.146 145 F HA 0.093 4.608 4.527 -0.020 0.000 0.298 145 F C 2.435 177.990 175.800 -0.408 0.000 1.096 145 F CA 0.933 58.498 58.000 -0.725 0.000 1.275 145 F CB -0.048 38.236 39.000 -1.192 0.000 1.008 145 F HN 0.069 nan 8.300 nan 0.000 0.480 146 I N -0.017 120.405 120.570 -0.246 0.000 2.226 146 I HA -0.300 3.857 4.170 -0.022 0.000 0.245 146 I C 2.634 178.658 176.117 -0.155 0.000 1.100 146 I CA 1.121 62.305 61.300 -0.194 0.000 1.374 146 I CB -0.844 37.076 38.000 -0.134 0.000 1.057 146 I HN 0.193 nan 8.210 nan 0.000 0.413 147 A N 0.643 123.404 122.820 -0.100 0.000 1.978 147 A HA -0.157 4.150 4.320 -0.022 0.000 0.220 147 A C 2.342 179.844 177.584 -0.135 0.000 1.170 147 A CA 2.119 54.135 52.037 -0.035 0.000 0.636 147 A CB -1.151 17.859 19.000 0.017 0.000 0.810 147 A HN 0.496 nan 8.150 nan 0.000 0.448 148 G N -1.697 106.933 108.800 -0.284 0.000 2.486 148 G HA2 0.089 4.036 3.960 -0.022 0.000 0.210 148 G HA3 0.089 4.036 3.960 -0.022 0.000 0.210 148 G C 0.702 175.412 174.900 -0.317 0.000 1.168 148 G CA 0.808 45.725 45.100 -0.305 0.000 0.820 148 G HN 0.409 nan 8.290 nan 0.000 0.544 149 D N 0.408 120.532 120.400 -0.459 0.000 2.538 149 D HA 0.247 4.874 4.640 -0.022 0.000 0.231 149 D C 0.839 177.065 176.300 -0.124 0.000 1.229 149 D CA -0.045 53.769 54.000 -0.310 0.000 0.828 149 D CB 1.080 41.609 40.800 -0.453 0.000 1.035 149 D HN 0.251 nan 8.370 nan 0.000 0.495 150 G N -0.165 108.543 108.800 -0.154 0.000 2.471 150 G HA2 0.482 4.429 3.960 -0.022 0.000 0.332 150 G HA3 0.482 4.429 3.960 -0.022 0.000 0.332 150 G C -0.949 173.883 174.900 -0.113 0.000 1.176 150 G CA -0.453 44.562 45.100 -0.142 0.000 0.949 150 G HN 0.227 nan 8.290 nan 0.000 0.488 151 C N 1.185 120.381 119.300 -0.172 0.000 2.516 151 C HA 0.734 5.181 4.460 -0.022 0.000 0.338 151 C C -1.317 173.567 174.990 -0.177 0.000 1.132 151 C CA -1.189 57.781 59.018 -0.081 0.000 1.310 151 C CB -0.497 27.275 27.740 0.054 0.000 1.898 151 C HN 0.495 nan 8.230 nan 0.000 0.452 152 F N 5.664 125.642 119.950 0.046 0.000 2.422 152 F HA 0.666 5.181 4.527 -0.021 0.000 0.333 152 F C 0.561 176.392 175.800 0.052 0.000 1.095 152 F CA 0.460 58.490 58.000 0.051 0.000 1.038 152 F CB 1.476 40.510 39.000 0.057 0.000 1.156 152 F HN 0.769 nan 8.300 nan 0.000 0.483 153 D N 0.566 121.128 120.400 0.270 0.000 2.779 153 D HA 0.254 4.881 4.640 -0.022 0.000 0.331 153 D C -1.743 174.675 176.300 0.197 0.000 1.331 153 D CA -0.865 53.244 54.000 0.181 0.000 0.866 153 D CB 1.163 42.032 40.800 0.116 0.000 1.409 153 D HN 0.076 nan 8.370 nan 0.000 0.486 154 K N -0.007 120.493 120.400 0.166 0.000 2.235 154 K HA 0.349 4.656 4.320 -0.022 0.000 0.266 154 K C -1.242 175.503 176.600 0.241 0.000 0.980 154 K CA -0.606 55.816 56.287 0.224 0.000 0.849 154 K CB 1.353 33.995 32.500 0.236 0.000 1.098 154 K HN 0.510 nan 8.250 nan 0.000 0.445 155 Y N 2.668 123.099 120.300 0.218 0.000 2.331 155 Y HA 0.234 4.772 4.550 -0.020 0.000 0.338 155 Y C -0.491 175.610 175.900 0.336 0.000 0.976 155 Y CA -0.522 57.686 58.100 0.180 0.000 1.137 155 Y CB 0.735 39.275 38.460 0.132 0.000 1.172 155 Y HN 0.553 nan 8.280 nan 0.000 0.478 156 H N 4.574 123.227 119.070 -0.696 0.000 2.597 156 H HA 0.170 4.713 4.556 -0.022 0.000 0.303 156 H C 0.946 175.687 175.328 -0.979 0.000 1.057 156 H CA 0.019 55.658 56.048 -0.682 0.000 1.261 156 H CB 1.440 30.730 29.762 -0.786 0.000 1.397 156 H HN 0.877 nan 8.280 nan 0.000 0.461 157 S N 2.540 118.019 115.700 -0.369 0.000 2.356 157 S HA -0.251 4.206 4.470 -0.022 0.000 0.223 157 S C 0.785 175.368 174.600 -0.029 0.000 1.032 157 S CA 1.414 59.527 58.200 -0.144 0.000 1.005 157 S CB -0.292 63.033 63.200 0.207 0.000 0.867 157 S HN 0.991 nan 8.310 nan 0.000 0.449 158 H N -0.868 118.191 119.070 -0.018 0.000 3.080 158 H HA -0.109 4.434 4.556 -0.021 0.000 0.254 158 H C -0.709 174.621 175.328 0.003 0.000 1.179 158 H CA 0.023 56.061 56.048 -0.017 0.000 1.144 158 H CB -1.979 27.776 29.762 -0.013 0.000 1.261 158 H HN 0.308 nan 8.280 nan 0.000 0.333 159 V N 1.248 121.250 119.914 0.146 0.000 2.546 159 V HA 0.086 4.193 4.120 -0.022 0.000 0.284 159 V C 0.825 176.976 176.094 0.096 0.000 1.050 159 V CA -0.427 61.951 62.300 0.129 0.000 0.981 159 V CB 1.568 33.487 31.823 0.160 0.000 0.990 159 V HN 0.110 nan 8.190 nan 0.000 0.474 160 K N 3.148 123.591 120.400 0.072 0.000 2.451 160 K HA 0.382 4.689 4.320 -0.022 0.000 0.280 160 K C 1.135 177.739 176.600 0.006 0.000 1.020 160 K CA 1.256 57.555 56.287 0.020 0.000 1.008 160 K CB 0.050 32.561 32.500 0.019 0.000 0.917 160 K HN 1.026 nan 8.250 nan 0.000 0.478 161 G N 3.679 112.416 108.800 -0.106 0.000 2.184 161 G HA2 -0.251 3.696 3.960 -0.022 0.000 0.264 161 G HA3 -0.251 3.696 3.960 -0.022 0.000 0.264 161 G C 0.209 174.817 174.900 -0.487 0.000 0.975 161 G CA 0.497 45.450 45.100 -0.246 0.000 0.642 161 G HN 0.755 nan 8.290 nan 0.000 0.536 162 H N 0.115 119.110 119.070 -0.125 0.000 2.885 162 H HA 0.189 4.732 4.556 -0.021 0.000 0.237 162 H C -0.023 175.058 175.328 -0.412 0.000 1.229 162 H CA -0.271 55.690 56.048 -0.145 0.000 0.947 162 H CB 0.376 30.203 29.762 0.108 0.000 2.223 162 H HN 0.554 nan 8.280 nan 0.000 0.628 163 E N 1.634 121.505 120.200 -0.548 0.000 1.775 163 E HA 0.119 4.456 4.350 -0.022 0.000 0.266 163 E C -0.798 175.430 176.600 -0.620 0.000 1.191 163 E CA 0.163 56.321 56.400 -0.403 0.000 1.048 163 E CB 0.031 29.587 29.700 -0.240 0.000 1.081 163 E HN 0.254 nan 8.360 nan 0.000 0.434 164 Y N 0.408 120.731 120.300 0.038 0.000 2.570 164 Y HA 0.482 5.019 4.550 -0.022 0.000 0.345 164 Y C 0.154 175.945 175.900 -0.182 0.000 1.014 164 Y CA -1.296 56.721 58.100 -0.139 0.000 1.063 164 Y CB 1.173 39.461 38.460 -0.286 0.000 1.272 164 Y HN 0.153 nan 8.280 nan 0.000 0.477 165 I N 2.830 123.321 120.570 -0.131 0.000 2.355 165 I HA 0.326 4.483 4.170 -0.022 0.000 0.288 165 I C -1.315 174.765 176.117 -0.062 0.000 0.999 165 I CA -0.644 60.594 61.300 -0.103 0.000 1.163 165 I CB 0.544 38.409 38.000 -0.224 0.000 1.316 165 I HN 0.450 nan 8.210 nan 0.000 0.454 166 Y N 3.403 123.815 120.300 0.186 0.000 2.487 166 Y HA 0.372 4.910 4.550 -0.020 0.000 0.337 166 Y C 0.286 176.309 175.900 0.204 0.000 1.076 166 Y CA -1.103 57.112 58.100 0.190 0.000 1.115 166 Y CB 0.945 39.538 38.460 0.222 0.000 1.235 166 Y HN 0.424 nan 8.280 nan 0.000 0.468 167 D N 1.923 122.522 120.400 0.333 0.000 2.350 167 D HA 0.191 4.818 4.640 -0.022 0.000 0.249 167 D C -0.376 176.091 176.300 0.278 0.000 1.119 167 D CA -0.051 54.113 54.000 0.274 0.000 0.886 167 D CB 1.168 42.099 40.800 0.220 0.000 1.195 167 D HN 0.460 nan 8.370 nan 0.000 0.437 168 R N 2.340 122.994 120.500 0.257 0.000 2.534 168 R HA 0.449 4.776 4.340 -0.022 0.000 0.301 168 R C -1.585 174.768 176.300 0.088 0.000 0.961 168 R CA -0.848 55.338 56.100 0.143 0.000 0.871 168 R CB 0.993 31.357 30.300 0.107 0.000 1.170 168 R HN 0.253 nan 8.270 nan 0.000 0.446 169 L N 4.272 125.462 121.223 -0.055 0.000 2.319 169 L HA 0.536 4.863 4.340 -0.022 0.000 0.281 169 L C -1.058 175.638 176.870 -0.291 0.000 1.005 169 L CA -0.211 54.456 54.840 -0.288 0.000 0.828 169 L CB 1.326 43.180 42.059 -0.342 0.000 1.227 169 L HN 0.619 nan 8.230 nan 0.000 0.415 170 R N 5.958 126.283 120.500 -0.291 0.000 2.437 170 R HA 0.641 4.968 4.340 -0.022 0.000 0.310 170 R C -1.139 174.951 176.300 -0.350 0.000 0.955 170 R CA -0.679 55.219 56.100 -0.337 0.000 0.851 170 R CB 1.788 31.872 30.300 -0.360 0.000 1.161 170 R HN 0.635 nan 8.270 nan 0.000 0.446 171 I N 3.750 124.135 120.570 -0.309 0.000 2.378 171 I HA 0.344 4.501 4.170 -0.022 0.000 0.291 171 I C -0.879 175.261 176.117 0.039 0.000 0.992 171 I CA -0.831 60.451 61.300 -0.029 0.000 1.154 171 I CB 1.110 39.243 38.000 0.221 0.000 1.315 171 I HN 0.426 nan 8.210 nan 0.000 0.448 172 Y N 3.629 124.115 120.300 0.311 0.000 2.468 172 Y HA 0.668 5.206 4.550 -0.020 0.000 0.342 172 Y C -0.283 175.916 175.900 0.499 0.000 1.021 172 Y CA -0.742 57.609 58.100 0.418 0.000 1.079 172 Y CB 1.725 40.283 38.460 0.164 0.000 1.226 172 Y HN 0.453 nan 8.280 nan 0.000 0.460 173 D N -0.763 120.118 120.400 0.802 0.000 2.683 173 D HA 0.108 4.735 4.640 -0.022 0.000 0.246 173 D C -0.580 176.105 176.300 0.643 0.000 1.238 173 D CA -0.697 53.672 54.000 0.615 0.000 0.759 173 D CB 0.719 41.758 40.800 0.398 0.000 1.349 173 D HN 0.365 nan 8.370 nan 0.000 0.426 174 Y N 0.433 120.939 120.300 0.344 0.000 2.511 174 Y HA 0.445 4.983 4.550 -0.019 0.000 0.279 174 Y C 0.243 176.411 175.900 0.448 0.000 1.157 174 Y CA 0.039 58.323 58.100 0.306 0.000 1.300 174 Y CB 0.051 38.612 38.460 0.169 0.000 1.052 174 Y HN -0.007 nan 8.280 nan 0.000 0.529 175 R N 0.972 121.380 120.500 -0.153 0.000 2.562 175 R HA 0.377 4.704 4.340 -0.022 0.000 0.298 175 R C 0.530 176.806 176.300 -0.040 0.000 0.961 175 R CA -0.481 55.500 56.100 -0.199 0.000 0.881 175 R CB 2.195 32.185 30.300 -0.516 0.000 1.159 175 R HN 0.314 nan 8.270 nan 0.000 0.450 176 I N 1.695 122.097 120.570 -0.281 0.000 2.761 176 I HA -0.147 4.010 4.170 -0.022 0.000 0.261 176 I C 0.825 176.857 176.117 -0.141 0.000 1.198 176 I CA 1.213 62.280 61.300 -0.389 0.000 1.482 176 I CB 0.360 37.921 38.000 -0.731 0.000 1.100 176 I HN 0.641 nan 8.210 nan 0.000 0.445 177 E N 0.561 120.665 120.200 -0.161 0.000 2.118 177 E HA -0.193 4.144 4.350 -0.022 0.000 0.195 177 E C 1.996 178.502 176.600 -0.157 0.000 0.992 177 E CA 1.850 58.171 56.400 -0.131 0.000 0.804 177 E CB -0.564 29.063 29.700 -0.121 0.000 0.741 177 E HN 0.423 nan 8.360 nan 0.000 0.458 178 T N 0.432 114.830 114.554 -0.259 0.000 2.720 178 T HA -0.148 4.189 4.350 -0.022 0.000 0.268 178 T C 1.313 175.781 174.700 -0.388 0.000 1.037 178 T CA 1.275 63.135 62.100 -0.400 0.000 1.144 178 T CB -0.400 68.089 68.868 -0.633 0.000 0.864 178 T HN 0.118 nan 8.240 nan 0.000 0.444 179 F N 1.537 121.467 119.950 -0.033 0.000 2.407 179 F HA 0.104 4.616 4.527 -0.025 0.000 0.299 179 F C 2.337 178.132 175.800 -0.009 0.000 1.097 179 F CA 0.281 58.279 58.000 -0.003 0.000 1.422 179 F CB -0.536 38.453 39.000 -0.019 0.000 1.067 179 F HN 0.258 nan 8.300 nan 0.000 0.539 180 E N 0.225 120.473 120.200 0.079 0.000 2.216 180 E HA -0.099 4.238 4.350 -0.022 0.000 0.192 180 E C 2.223 178.826 176.600 0.005 0.000 0.988 180 E CA 0.849 57.267 56.400 0.030 0.000 0.834 180 E CB -0.109 29.579 29.700 -0.020 0.000 0.772 180 E HN 0.436 nan 8.360 nan 0.000 0.479 181 I N 0.801 121.358 120.570 -0.022 0.000 2.333 181 I HA -0.201 3.956 4.170 -0.022 0.000 0.246 181 I C 2.297 178.421 176.117 0.011 0.000 1.106 181 I CA 0.805 62.072 61.300 -0.057 0.000 1.411 181 I CB -0.084 37.858 38.000 -0.096 0.000 1.082 181 I HN 0.069 nan 8.210 nan 0.000 0.420 182 I N 0.823 121.486 120.570 0.154 0.000 2.179 182 I HA -0.295 3.862 4.170 -0.022 0.000 0.242 182 I C 2.273 178.552 176.117 0.270 0.000 1.088 182 I CA 1.267 62.761 61.300 0.323 0.000 1.357 182 I CB -0.541 37.656 38.000 0.329 0.000 1.051 182 I HN 0.289 nan 8.210 nan 0.000 0.409 183 N N 0.749 119.574 118.700 0.208 0.000 2.104 183 N HA -0.253 4.474 4.740 -0.022 0.000 0.190 183 N C 1.592 177.160 175.510 0.097 0.000 1.024 183 N CA 1.533 54.688 53.050 0.176 0.000 0.853 183 N CB -0.516 38.048 38.487 0.128 0.000 1.008 183 N HN 0.426 nan 8.380 nan 0.000 0.424 184 D N -0.440 119.983 120.400 0.039 0.000 2.144 184 D HA -0.203 4.423 4.640 -0.022 0.000 0.199 184 D C 1.758 178.035 176.300 -0.039 0.000 0.984 184 D CA 0.787 54.773 54.000 -0.024 0.000 0.834 184 D CB 0.046 40.806 40.800 -0.066 0.000 0.955 184 D HN 0.296 nan 8.370 nan 0.000 0.465 185 Y N 1.208 121.405 120.300 -0.172 0.000 2.243 185 Y HA -0.005 4.532 4.550 -0.021 0.000 0.293 185 Y C 2.312 178.217 175.900 0.009 0.000 1.124 185 Y CA 1.021 58.994 58.100 -0.211 0.000 1.159 185 Y CB -0.437 37.756 38.460 -0.445 0.000 1.008 185 Y HN -0.099 nan 8.280 nan 0.000 0.527 186 L N 0.228 121.526 121.223 0.126 0.000 2.083 186 L HA -0.202 4.125 4.340 -0.022 0.000 0.209 186 L C 2.505 179.436 176.870 0.101 0.000 1.083 186 L CA 1.938 56.920 54.840 0.237 0.000 0.752 186 L CB -0.556 41.738 42.059 0.391 0.000 0.899 186 L HN 0.318 nan 8.230 nan 0.000 0.433 187 E N 1.135 121.347 120.200 0.019 0.000 2.072 187 E HA -0.239 4.098 4.350 -0.022 0.000 0.191 187 E C 2.114 178.657 176.600 -0.095 0.000 0.985 187 E CA 1.321 57.704 56.400 -0.028 0.000 0.801 187 E CB 0.166 29.843 29.700 -0.037 0.000 0.750 187 E HN 0.540 nan 8.360 nan 0.000 0.452 188 K N -0.922 119.377 120.400 -0.167 0.000 2.305 188 K HA 0.063 4.370 4.320 -0.022 0.000 0.199 188 K C 1.712 178.117 176.600 -0.324 0.000 1.047 188 K CA 1.283 57.447 56.287 -0.206 0.000 0.976 188 K CB 0.217 32.605 32.500 -0.187 0.000 0.765 188 K HN -0.082 nan 8.250 nan 0.000 0.474 189 T N -0.033 114.202 114.554 -0.532 0.000 3.010 189 T HA 0.134 4.471 4.350 -0.022 0.000 0.252 189 T C 0.538 174.714 174.700 -0.874 0.000 1.047 189 T CA 0.534 62.129 62.100 -0.842 0.000 1.140 189 T CB -0.001 67.998 68.868 -1.449 0.000 0.885 189 T HN 0.187 nan 8.240 nan 0.000 0.464 190 F N 0.237 120.076 119.950 -0.185 0.000 2.746 190 F HA 0.458 4.971 4.527 -0.024 0.000 0.320 190 F C 1.520 177.282 175.800 -0.064 0.000 1.097 190 F CA -0.740 57.205 58.000 -0.091 0.000 1.195 190 F CB 0.197 39.173 39.000 -0.040 0.000 1.056 190 F HN 0.178 nan 8.300 nan 0.000 0.562 191 G N 1.904 110.726 108.800 0.036 0.000 2.338 191 G HA2 -0.291 3.656 3.960 -0.022 0.000 0.296 191 G HA3 -0.291 3.656 3.960 -0.022 0.000 0.296 191 G C -0.071 174.835 174.900 0.011 0.000 1.040 191 G CA 0.231 45.332 45.100 0.003 0.000 1.004 191 G HN 0.360 nan 8.290 nan 0.000 0.509 192 R N -0.387 120.130 120.500 0.029 0.000 2.566 192 R HA 0.664 4.991 4.340 -0.022 0.000 0.271 192 R C -0.402 175.830 176.300 -0.113 0.000 1.071 192 R CA -0.569 55.491 56.100 -0.066 0.000 0.915 192 R CB 1.266 31.581 30.300 0.025 0.000 1.228 192 R HN 0.550 nan 8.270 nan 0.000 0.449 193 K N 1.583 121.774 120.400 -0.349 0.000 2.482 193 K HA 0.549 4.856 4.320 -0.022 0.000 0.257 193 K C -1.427 174.796 176.600 -0.628 0.000 0.969 193 K CA -0.792 55.339 56.287 -0.261 0.000 0.842 193 K CB 1.992 34.425 32.500 -0.111 0.000 1.359 193 K HN 0.341 nan 8.250 nan 0.000 0.441 194 Y N 0.164 120.451 120.300 -0.021 0.000 2.462 194 Y HA 0.261 4.801 4.550 -0.016 0.000 0.346 194 Y C -0.027 175.822 175.900 -0.084 0.000 0.976 194 Y CA -0.900 57.166 58.100 -0.058 0.000 1.044 194 Y CB 2.445 40.866 38.460 -0.066 0.000 1.230 194 Y HN 0.769 nan 8.280 nan 0.000 0.455 195 S N 2.671 118.370 115.700 -0.001 0.000 2.549 195 S HA 0.400 4.857 4.470 -0.022 0.000 0.283 195 S C -0.337 174.197 174.600 -0.110 0.000 1.320 195 S CA -0.608 57.557 58.200 -0.058 0.000 1.058 195 S CB -0.058 63.097 63.200 -0.074 0.000 0.882 195 S HN 0.538 nan 8.310 nan 0.000 0.498 196 I N 3.382 123.864 120.570 -0.146 0.000 2.379 196 I HA 0.129 4.286 4.170 -0.022 0.000 0.290 196 I C 0.855 176.797 176.117 -0.292 0.000 1.063 196 I CA -0.190 60.950 61.300 -0.266 0.000 1.351 196 I CB 0.295 38.165 38.000 -0.216 0.000 1.410 196 I HN 0.672 nan 8.210 nan 0.000 0.505 197 Q N 6.393 125.882 119.800 -0.517 0.000 2.212 197 Q HA 0.512 4.839 4.340 -0.022 0.000 0.238 197 Q C -0.423 175.309 176.000 -0.446 0.000 0.955 197 Q CA -0.871 54.588 55.803 -0.573 0.000 0.906 197 Q CB 2.059 30.197 28.738 -1.000 0.000 1.215 197 Q HN 0.455 nan 8.270 nan 0.000 0.478 198 K N 0.740 121.002 120.400 -0.231 0.000 2.464 198 K HA 0.277 4.584 4.320 -0.022 0.000 0.253 198 K C -1.884 174.738 176.600 0.037 0.000 0.933 198 K CA -0.405 55.847 56.287 -0.058 0.000 0.801 198 K CB 1.592 34.093 32.500 0.001 0.000 1.271 198 K HN 0.570 nan 8.250 nan 0.000 0.430 199 D N 3.505 123.975 120.400 0.116 0.000 2.621 199 D HA 0.240 4.867 4.640 -0.022 0.000 0.274 199 D C -1.289 175.045 176.300 0.057 0.000 1.215 199 D CA -0.184 53.903 54.000 0.144 0.000 0.810 199 D CB 0.139 41.115 40.800 0.292 0.000 1.248 199 D HN 0.639 nan 8.370 nan 0.000 0.517 200 R N 2.572 123.074 120.500 0.003 0.000 2.958 200 R HA -0.171 4.155 4.340 -0.022 0.000 0.277 200 R C -0.076 176.198 176.300 -0.044 0.000 0.940 200 R CA 0.433 56.523 56.100 -0.018 0.000 0.664 200 R CB -2.011 28.287 30.300 -0.003 0.000 1.551 200 R HN 0.563 nan 8.270 nan 0.000 0.455 201 N N -2.111 116.529 118.700 -0.099 0.000 2.972 201 N HA -0.215 4.512 4.740 -0.022 0.000 0.225 201 N C -0.106 175.300 175.510 -0.173 0.000 0.883 201 N CA 1.823 54.801 53.050 -0.120 0.000 1.010 201 N CB -0.467 37.998 38.487 -0.036 0.000 1.052 201 N HN 0.461 nan 8.380 nan 0.000 0.598 202 I N 1.082 121.563 120.570 -0.147 0.000 2.509 202 I HA 0.404 4.561 4.170 -0.022 0.000 0.293 202 I C -0.631 175.466 176.117 -0.033 0.000 1.020 202 I CA -0.957 60.330 61.300 -0.023 0.000 1.088 202 I CB 0.961 39.050 38.000 0.149 0.000 1.267 202 I HN -0.035 nan 8.210 nan 0.000 0.430 203 Y N 7.023 127.505 120.300 0.304 0.000 2.453 203 Y HA 0.667 5.206 4.550 -0.019 0.000 0.326 203 Y C -0.616 175.304 175.900 0.034 0.000 1.186 203 Y CA -0.235 57.938 58.100 0.121 0.000 1.200 203 Y CB 1.295 39.858 38.460 0.172 0.000 1.247 203 Y HN 0.522 nan 8.280 nan 0.000 0.482 204 Y N -0.188 119.858 120.300 -0.423 0.000 2.687 204 Y HA 0.667 5.206 4.550 -0.019 0.000 0.338 204 Y C -1.846 173.622 175.900 -0.720 0.000 1.189 204 Y CA -2.293 55.367 58.100 -0.733 0.000 1.097 204 Y CB 0.555 38.626 38.460 -0.648 0.000 1.342 204 Y HN 0.538 nan 8.280 nan 0.000 0.461 205 I N 0.195 120.493 120.570 -0.453 0.000 2.646 205 I HA 0.664 4.821 4.170 -0.022 0.000 0.299 205 I C -1.320 174.690 176.117 -0.179 0.000 1.036 205 I CA -0.807 60.307 61.300 -0.311 0.000 1.074 205 I CB 2.333 40.192 38.000 -0.235 0.000 1.258 205 I HN 0.707 nan 8.210 nan 0.000 0.430 206 D N 6.266 126.566 120.400 -0.165 0.000 2.381 206 D HA 0.513 5.140 4.640 -0.022 0.000 0.235 206 D C -1.014 175.081 176.300 -0.342 0.000 1.068 206 D CA -0.283 53.613 54.000 -0.174 0.000 0.832 206 D CB 1.658 42.423 40.800 -0.058 0.000 1.101 206 D HN 0.558 nan 8.370 nan 0.000 0.515 207 I N 3.478 123.799 120.570 -0.415 0.000 2.378 207 I HA 0.274 4.431 4.170 -0.022 0.000 0.291 207 I C 1.117 177.118 176.117 -0.192 0.000 0.992 207 I CA -0.523 60.477 61.300 -0.501 0.000 1.154 207 I CB 1.886 39.538 38.000 -0.580 0.000 1.315 207 I HN 0.170 nan 8.210 nan 0.000 0.448 208 K N 4.292 124.640 120.400 -0.087 0.000 2.483 208 K HA 0.349 4.656 4.320 -0.022 0.000 0.206 208 K C 0.201 176.812 176.600 0.019 0.000 1.086 208 K CA -0.238 56.021 56.287 -0.046 0.000 1.052 208 K CB 1.409 33.805 32.500 -0.173 0.000 0.904 208 K HN 0.685 nan 8.250 nan 0.000 0.557 209 A N 1.622 124.476 122.820 0.057 0.000 2.491 209 A HA 0.092 4.399 4.320 -0.022 0.000 0.261 209 A C 0.979 178.609 177.584 0.077 0.000 1.101 209 A CA -0.074 52.008 52.037 0.076 0.000 0.772 209 A CB 0.221 19.277 19.000 0.094 0.000 1.043 209 A HN 0.291 nan 8.150 nan 0.000 0.501 210 R N 2.072 122.642 120.500 0.117 0.000 2.091 210 R HA -0.228 4.099 4.340 -0.022 0.000 0.238 210 R C 1.789 178.135 176.300 0.076 0.000 1.136 210 R CA 2.086 58.260 56.100 0.123 0.000 0.959 210 R CB -0.349 30.031 30.300 0.134 0.000 0.856 210 R HN 1.025 nan 8.270 nan 0.000 0.437 211 N N 0.430 119.161 118.700 0.051 0.000 2.244 211 N HA -0.114 4.613 4.740 -0.022 0.000 0.183 211 N C 1.751 177.211 175.510 -0.084 0.000 1.016 211 N CA 0.850 53.926 53.050 0.042 0.000 0.866 211 N CB -0.177 38.375 38.487 0.108 0.000 0.980 211 N HN 0.187 nan 8.380 nan 0.000 0.430 212 I N 1.203 121.628 120.570 -0.241 0.000 2.333 212 I HA -0.171 3.986 4.170 -0.022 0.000 0.246 212 I C 2.580 178.715 176.117 0.031 0.000 1.106 212 I CA 1.398 62.446 61.300 -0.421 0.000 1.411 212 I CB -0.727 36.998 38.000 -0.457 0.000 1.082 212 I HN 0.384 nan 8.210 nan 0.000 0.420 213 T N -0.931 113.689 114.554 0.111 0.000 2.746 213 T HA -0.167 4.170 4.350 -0.022 0.000 0.267 213 T C 2.046 176.880 174.700 0.224 0.000 1.039 213 T CA 1.573 63.839 62.100 0.277 0.000 1.142 213 T CB -0.801 68.221 68.868 0.256 0.000 0.866 213 T HN 0.434 nan 8.240 nan 0.000 0.444 214 S N 1.110 116.883 115.700 0.122 0.000 2.383 214 S HA -0.186 4.271 4.470 -0.022 0.000 0.227 214 S C 1.952 176.587 174.600 0.058 0.000 1.026 214 S CA 1.270 59.508 58.200 0.063 0.000 0.981 214 S CB -1.048 62.182 63.200 0.049 0.000 0.818 214 S HN 0.813 nan 8.310 nan 0.000 0.472 215 H N 0.393 119.434 119.070 -0.049 0.000 2.290 215 H HA -0.129 4.415 4.556 -0.020 0.000 0.298 215 H C 1.701 176.890 175.328 -0.232 0.000 1.087 215 H CA 2.219 58.175 56.048 -0.154 0.000 1.291 215 H CB -0.416 29.212 29.762 -0.222 0.000 1.369 215 H HN 0.524 nan 8.280 nan 0.000 0.492 216 Y N -0.386 120.122 120.300 0.347 0.000 2.395 216 Y HA -0.041 4.495 4.550 -0.023 0.000 0.293 216 Y C 2.427 178.417 175.900 0.150 0.000 1.123 216 Y CA 0.429 58.726 58.100 0.328 0.000 1.227 216 Y CB 0.137 38.866 38.460 0.449 0.000 1.012 216 Y HN 0.192 nan 8.280 nan 0.000 0.552 217 L N -0.050 121.204 121.223 0.051 0.000 2.056 217 L HA -0.245 4.082 4.340 -0.022 0.000 0.207 217 L C 2.157 178.949 176.870 -0.130 0.000 1.078 217 L CA 1.577 56.244 54.840 -0.288 0.000 0.749 217 L CB -0.349 41.500 42.059 -0.350 0.000 0.901 217 L HN 0.146 nan 8.230 nan 0.000 0.433 218 K N -0.183 120.167 120.400 -0.084 0.000 2.148 218 K HA -0.122 4.185 4.320 -0.022 0.000 0.204 218 K C 2.033 178.593 176.600 -0.066 0.000 1.050 218 K CA 0.993 57.230 56.287 -0.083 0.000 0.942 218 K CB -0.046 32.396 32.500 -0.097 0.000 0.724 218 K HN 0.258 nan 8.250 nan 0.000 0.446 219 L N 0.473 121.672 121.223 -0.039 0.000 2.156 219 L HA -0.091 4.236 4.340 -0.022 0.000 0.208 219 L C 1.765 178.662 176.870 0.044 0.000 1.095 219 L CA 0.861 55.710 54.840 0.015 0.000 0.770 219 L CB -0.063 42.052 42.059 0.093 0.000 0.914 219 L HN 0.188 nan 8.230 nan 0.000 0.439 220 L N -0.726 120.544 121.223 0.078 0.000 2.607 220 L HA 0.086 4.413 4.340 -0.022 0.000 0.228 220 L C 0.905 177.780 176.870 0.009 0.000 1.123 220 L CA -0.166 54.723 54.840 0.082 0.000 0.890 220 L CB -0.091 42.083 42.059 0.191 0.000 1.103 220 L HN 0.189 nan 8.230 nan 0.000 0.468 221 E N 1.056 121.236 120.200 -0.033 0.000 2.493 221 E HA 0.122 4.459 4.350 -0.022 0.000 0.255 221 E C 1.062 177.638 176.600 -0.041 0.000 0.999 221 E CA 0.860 57.231 56.400 -0.048 0.000 0.934 221 E CB 0.297 29.962 29.700 -0.058 0.000 0.940 221 E HN 0.358 nan 8.360 nan 0.000 0.473 222 G N 4.176 112.957 108.800 -0.030 0.000 2.176 222 G HA2 -0.294 3.653 3.960 -0.022 0.000 0.232 222 G HA3 -0.294 3.653 3.960 -0.022 0.000 0.232 222 G C 0.702 175.590 174.900 -0.019 0.000 0.986 222 G CA 0.143 45.225 45.100 -0.029 0.000 0.643 222 G HN 0.663 nan 8.290 nan 0.000 0.522 223 I N 1.392 121.961 120.570 -0.001 0.000 2.502 223 I HA -0.075 4.081 4.170 -0.022 0.000 0.258 223 I C 1.975 178.106 176.117 0.023 0.000 1.172 223 I CA 2.388 63.704 61.300 0.028 0.000 1.430 223 I CB -0.021 38.026 38.000 0.079 0.000 1.086 223 I HN 0.297 nan 8.210 nan 0.000 0.440 224 D N 0.475 120.882 120.400 0.011 0.000 2.219 224 D HA -0.106 4.521 4.640 -0.022 0.000 0.205 224 D C 1.062 177.357 176.300 -0.008 0.000 0.970 224 D CA 0.898 54.900 54.000 0.003 0.000 0.851 224 D CB -0.173 40.627 40.800 0.001 0.000 0.943 224 D HN 0.474 nan 8.370 nan 0.000 0.488 225 N N -0.089 118.604 118.700 -0.011 0.000 2.238 225 N HA 0.224 4.951 4.740 -0.022 0.000 0.222 225 N C 0.812 176.314 175.510 -0.014 0.000 1.133 225 N CA 0.165 53.205 53.050 -0.016 0.000 0.854 225 N CB 2.051 40.528 38.487 -0.016 0.000 1.041 225 N HN 0.148 nan 8.380 nan 0.000 0.510 226 G N 0.351 109.146 108.800 -0.007 0.000 2.270 226 G HA2 -0.063 3.883 3.960 -0.022 0.000 0.268 226 G HA3 -0.063 3.883 3.960 -0.022 0.000 0.268 226 G C -1.036 173.856 174.900 -0.012 0.000 1.312 226 G CA -1.000 44.100 45.100 0.001 0.000 1.050 226 G HN 0.064 nan 8.290 nan 0.000 0.474 227 I N 2.688 123.235 120.570 -0.037 0.000 2.618 227 I HA 0.201 4.358 4.170 -0.022 0.000 0.284 227 I C -1.748 174.248 176.117 -0.202 0.000 1.146 227 I CA -1.128 60.085 61.300 -0.146 0.000 1.425 227 I CB 0.960 38.844 38.000 -0.194 0.000 1.383 227 I HN 0.147 nan 8.210 nan 0.000 0.562 228 P HA 0.019 nan 4.420 nan 0.000 0.264 228 P C -2.058 175.112 177.300 -0.216 0.000 1.193 228 P CA -0.777 62.197 63.100 -0.209 0.000 0.763 228 P CB 0.164 31.735 31.700 -0.215 0.000 0.810 229 P HA -0.205 nan 4.420 nan 0.000 0.216 229 P C 1.505 178.713 177.300 -0.153 0.000 1.150 229 P CA 1.484 64.501 63.100 -0.140 0.000 0.837 229 P CB -0.100 31.549 31.700 -0.084 0.000 0.786 230 Q N -0.968 118.757 119.800 -0.125 0.000 2.170 230 Q HA -0.106 4.221 4.340 -0.022 0.000 0.203 230 Q C 2.164 178.085 176.000 -0.131 0.000 0.976 230 Q CA 1.260 57.005 55.803 -0.097 0.000 0.858 230 Q CB -0.688 28.016 28.738 -0.057 0.000 0.907 230 Q HN 0.384 nan 8.270 nan 0.000 0.433 231 I N -0.519 119.920 120.570 -0.219 0.000 2.270 231 I HA -0.211 3.946 4.170 -0.022 0.000 0.239 231 I C 2.115 178.002 176.117 -0.382 0.000 1.080 231 I CA 0.215 61.298 61.300 -0.361 0.000 1.383 231 I CB -0.277 37.412 38.000 -0.519 0.000 1.097 231 I HN 0.118 nan 8.210 nan 0.000 0.420 232 L N 2.098 123.114 121.223 -0.346 0.000 2.013 232 L HA -0.265 4.062 4.340 -0.022 0.000 0.212 232 L C 2.588 179.306 176.870 -0.254 0.000 1.073 232 L CA 2.111 56.777 54.840 -0.290 0.000 0.753 232 L CB -0.810 41.104 42.059 -0.243 0.000 0.890 232 L HN 0.286 nan 8.230 nan 0.000 0.432 233 K N -1.593 118.651 120.400 -0.259 0.000 2.280 233 K HA -0.166 4.141 4.320 -0.022 0.000 0.202 233 K C 1.388 177.884 176.600 -0.174 0.000 1.047 233 K CA 1.428 57.564 56.287 -0.251 0.000 0.942 233 K CB -0.352 32.026 32.500 -0.204 0.000 0.739 233 K HN 0.306 nan 8.250 nan 0.000 0.457 234 E N 1.060 121.146 120.200 -0.190 0.000 2.502 234 E HA 0.075 4.412 4.350 -0.022 0.000 0.194 234 E C 0.860 177.378 176.600 -0.136 0.000 1.062 234 E CA 0.827 57.129 56.400 -0.163 0.000 0.867 234 E CB 0.246 29.801 29.700 -0.242 0.000 0.888 234 E HN 0.575 nan 8.360 nan 0.000 0.510 235 G N 1.229 109.958 108.800 -0.118 0.000 2.728 235 G HA2 -0.309 3.638 3.960 -0.022 0.000 0.294 235 G HA3 -0.309 3.638 3.960 -0.022 0.000 0.294 235 G C 0.571 175.477 174.900 0.011 0.000 1.342 235 G CA -0.079 45.007 45.100 -0.022 0.000 0.866 235 G HN 0.107 nan 8.290 nan 0.000 0.534 236 K N -0.071 120.417 120.400 0.146 0.000 2.052 236 K HA -0.229 4.077 4.320 -0.022 0.000 0.215 236 K C 2.383 179.080 176.600 0.161 0.000 1.053 236 K CA 2.065 58.503 56.287 0.253 0.000 0.934 236 K CB -0.302 32.413 32.500 0.358 0.000 0.717 236 K HN 0.464 nan 8.250 nan 0.000 0.450 237 N N 0.551 119.325 118.700 0.123 0.000 2.094 237 N HA -0.178 4.549 4.740 -0.022 0.000 0.191 237 N C 1.714 177.230 175.510 0.009 0.000 1.023 237 N CA 1.586 54.703 53.050 0.110 0.000 0.857 237 N CB -0.397 38.145 38.487 0.090 0.000 1.013 237 N HN 0.271 nan 8.380 nan 0.000 0.426 238 A N 0.598 123.310 122.820 -0.181 0.000 1.872 238 A HA -0.004 4.303 4.320 -0.022 0.000 0.214 238 A C 2.534 179.929 177.584 -0.315 0.000 1.187 238 A CA 1.049 52.765 52.037 -0.534 0.000 0.614 238 A CB -0.667 17.672 19.000 -1.102 0.000 0.826 238 A HN 0.092 nan 8.150 nan 0.000 0.442 239 V N 0.292 120.040 119.914 -0.276 0.000 2.343 239 V HA -0.240 3.866 4.120 -0.022 0.000 0.247 239 V C 2.564 178.614 176.094 -0.074 0.000 1.051 239 V CA 1.892 64.023 62.300 -0.281 0.000 1.036 239 V CB -0.808 30.610 31.823 -0.675 0.000 0.654 239 V HN 0.544 nan 8.190 nan 0.000 0.451 240 L N -0.197 121.010 121.223 -0.027 0.000 2.056 240 L HA -0.141 4.186 4.340 -0.022 0.000 0.207 240 L C 2.636 179.581 176.870 0.126 0.000 1.078 240 L CA 1.610 56.471 54.840 0.035 0.000 0.749 240 L CB -0.623 41.458 42.059 0.037 0.000 0.901 240 L HN 0.310 nan 8.230 nan 0.000 0.433 241 S N -0.154 115.652 115.700 0.177 0.000 2.382 241 S HA -0.205 4.252 4.470 -0.022 0.000 0.228 241 S C 1.774 176.538 174.600 0.273 0.000 1.027 241 S CA 1.391 59.748 58.200 0.262 0.000 0.991 241 S CB -0.432 62.832 63.200 0.107 0.000 0.823 241 S HN 0.379 nan 8.310 nan 0.000 0.469 242 F N 2.238 122.224 119.950 0.060 0.000 2.134 242 F HA -0.052 4.462 4.527 -0.022 0.000 0.299 242 F C 1.827 177.627 175.800 0.001 0.000 1.097 242 F CA 1.145 59.155 58.000 0.017 0.000 1.264 242 F CB -0.359 38.621 39.000 -0.034 0.000 1.001 242 F HN 0.099 nan 8.300 nan 0.000 0.479 243 I N 0.327 120.911 120.570 0.024 0.000 2.226 243 I HA -0.289 3.868 4.170 -0.022 0.000 0.245 243 I C 2.709 178.827 176.117 0.002 0.000 1.100 243 I CA 1.127 62.396 61.300 -0.052 0.000 1.374 243 I CB -0.946 37.085 38.000 0.051 0.000 1.057 243 I HN 0.259 nan 8.210 nan 0.000 0.413 244 A N 0.947 123.824 122.820 0.096 0.000 1.908 244 A HA -0.163 4.144 4.320 -0.022 0.000 0.218 244 A C 2.434 180.175 177.584 0.262 0.000 1.181 244 A CA 2.007 54.184 52.037 0.233 0.000 0.627 244 A CB -1.433 17.785 19.000 0.363 0.000 0.818 244 A HN 0.469 nan 8.150 nan 0.000 0.445 245 G N -0.719 108.039 108.800 -0.070 0.000 2.422 245 G HA2 -0.072 3.875 3.960 -0.022 0.000 0.218 245 G HA3 -0.072 3.875 3.960 -0.022 0.000 0.218 245 G C 1.430 176.103 174.900 -0.379 0.000 1.140 245 G CA 1.102 45.754 45.100 -0.747 0.000 0.775 245 G HN 0.404 nan 8.290 nan 0.000 0.545 246 L N -0.607 120.406 121.223 -0.350 0.000 2.056 246 L HA 0.233 4.560 4.340 -0.022 0.000 0.207 246 L C 2.386 179.210 176.870 -0.076 0.000 1.078 246 L CA 1.253 55.909 54.840 -0.307 0.000 0.749 246 L CB -0.606 41.224 42.059 -0.381 0.000 0.901 246 L HN 0.223 nan 8.230 nan 0.000 0.433 247 F N 0.112 120.038 119.950 -0.039 0.000 2.146 247 F HA -0.187 4.326 4.527 -0.022 0.000 0.298 247 F C 2.319 178.192 175.800 0.122 0.000 1.096 247 F CA 1.576 59.621 58.000 0.074 0.000 1.275 247 F CB -0.247 38.865 39.000 0.187 0.000 1.008 247 F HN 0.159 nan 8.300 nan 0.000 0.480 248 D N 0.202 120.784 120.400 0.303 0.000 2.158 248 D HA -0.201 4.426 4.640 -0.022 0.000 0.197 248 D C 2.273 178.725 176.300 0.254 0.000 0.995 248 D CA 1.476 55.691 54.000 0.359 0.000 0.846 248 D CB -0.334 40.834 40.800 0.613 0.000 0.941 248 D HN 0.386 nan 8.370 nan 0.000 0.456 249 A N 0.480 123.336 122.820 0.061 0.000 1.854 249 A HA -0.087 4.220 4.320 -0.022 0.000 0.214 249 A C 1.806 179.272 177.584 -0.197 0.000 1.192 249 A CA 1.180 53.079 52.037 -0.230 0.000 0.611 249 A CB 0.103 18.716 19.000 -0.645 0.000 0.832 249 A HN 0.022 nan 8.150 nan 0.000 0.442 250 E N -0.782 119.280 120.200 -0.231 0.000 2.601 250 E HA 0.166 4.502 4.350 -0.022 0.000 0.219 250 E C 0.788 177.185 176.600 -0.339 0.000 0.964 250 E CA 0.333 56.591 56.400 -0.236 0.000 1.050 250 E CB 0.161 29.745 29.700 -0.193 0.000 1.068 250 E HN 0.418 nan 8.360 nan 0.000 0.496 251 G N 0.758 109.174 108.800 -0.639 0.000 2.544 251 G HA2 0.157 4.104 3.960 -0.022 0.000 0.242 251 G HA3 0.157 4.104 3.960 -0.022 0.000 0.242 251 G C -0.683 173.742 174.900 -0.791 0.000 1.247 251 G CA 0.139 44.433 45.100 -1.344 0.000 0.840 251 G HN 0.108 nan 8.290 nan 0.000 0.578 252 H N -0.230 118.515 119.070 -0.542 0.000 2.667 252 H HA 0.527 5.069 4.556 -0.022 0.000 0.353 252 H C -1.062 174.305 175.328 0.066 0.000 1.072 252 H CA -0.685 55.261 56.048 -0.170 0.000 1.214 252 H CB 1.886 31.578 29.762 -0.117 0.000 1.600 252 H HN 0.324 nan 8.280 nan 0.000 0.527 253 V N 5.113 124.773 119.914 -0.424 0.000 2.370 253 V HA 0.401 4.508 4.120 -0.022 0.000 0.283 253 V C 0.236 175.982 176.094 -0.579 0.000 1.023 253 V CA -0.252 61.876 62.300 -0.286 0.000 0.857 253 V CB 0.949 32.763 31.823 -0.015 0.000 0.985 253 V HN 0.951 nan 8.190 nan 0.000 0.443 254 S N 3.451 118.936 115.700 -0.359 0.000 2.747 254 S HA 0.431 4.888 4.470 -0.022 0.000 0.300 254 S C 0.375 174.936 174.600 -0.066 0.000 1.121 254 S CA -0.860 57.224 58.200 -0.193 0.000 0.995 254 S CB 1.339 64.508 63.200 -0.051 0.000 1.113 254 S HN 0.596 nan 8.310 nan 0.000 0.547 255 N N 0.200 118.889 118.700 -0.019 0.000 2.268 255 N HA 0.093 4.820 4.740 -0.022 0.000 0.204 255 N C 1.077 176.576 175.510 -0.018 0.000 1.124 255 N CA -0.041 53.002 53.050 -0.011 0.000 0.838 255 N CB 0.093 38.580 38.487 -0.001 0.000 0.994 255 N HN 0.681 nan 8.380 nan 0.000 0.489 256 K N 1.356 121.748 120.400 -0.013 0.000 2.063 256 K HA -0.045 4.262 4.320 -0.022 0.000 0.208 256 K C -1.335 175.237 176.600 -0.047 0.000 1.048 256 K CA 0.959 57.233 56.287 -0.021 0.000 0.928 256 K CB -0.461 32.037 32.500 -0.004 0.000 0.713 256 K HN 0.187 nan 8.250 nan 0.000 0.442 257 P HA 0.406 nan 4.420 nan 0.000 0.284 257 P C -0.525 176.797 177.300 0.036 0.000 1.287 257 P CA -0.289 62.822 63.100 0.018 0.000 0.824 257 P CB 1.923 33.656 31.700 0.054 0.000 1.180 258 G N -0.783 108.022 108.800 0.009 0.000 2.313 258 G HA2 0.469 4.415 3.960 -0.022 0.000 0.296 258 G HA3 0.469 4.415 3.960 -0.022 0.000 0.296 258 G C -1.809 173.062 174.900 -0.049 0.000 1.356 258 G CA -0.595 44.500 45.100 -0.009 0.000 0.833 258 G HN 0.646 nan 8.290 nan 0.000 0.552 259 I N -2.808 117.710 120.570 -0.087 0.000 2.689 259 I HA 0.915 5.072 4.170 -0.022 0.000 0.299 259 I C -0.551 175.579 176.117 0.022 0.000 1.059 259 I CA -1.400 59.869 61.300 -0.051 0.000 1.055 259 I CB 2.259 40.065 38.000 -0.324 0.000 1.243 259 I HN 0.617 nan 8.210 nan 0.000 0.425 260 E N 4.059 124.329 120.200 0.118 0.000 2.340 260 E HA 0.694 5.030 4.350 -0.022 0.000 0.273 260 E C -1.731 174.900 176.600 0.052 0.000 0.891 260 E CA -0.955 55.446 56.400 0.000 0.000 0.757 260 E CB 3.048 32.744 29.700 -0.007 0.000 1.231 260 E HN 0.579 nan 8.360 nan 0.000 0.439 261 L N 1.460 122.668 121.223 -0.024 0.000 2.504 261 L HA 0.588 4.915 4.340 -0.022 0.000 0.265 261 L C -0.916 175.924 176.870 -0.050 0.000 0.975 261 L CA -0.013 54.823 54.840 -0.006 0.000 0.864 261 L CB 1.559 43.697 42.059 0.131 0.000 1.212 261 L HN 0.636 nan 8.230 nan 0.000 0.416 262 G N 4.816 113.577 108.800 -0.066 0.000 2.416 262 G HA2 0.772 4.719 3.960 -0.022 0.000 0.329 262 G HA3 0.772 4.719 3.960 -0.022 0.000 0.329 262 G C -1.051 173.835 174.900 -0.023 0.000 1.173 262 G CA -0.515 44.559 45.100 -0.043 0.000 0.929 262 G HN 0.510 nan 8.290 nan 0.000 0.475 263 M N 0.810 120.428 119.600 0.030 0.000 2.682 263 M HA 0.179 4.646 4.480 -0.022 0.000 0.272 263 M C 0.871 177.242 176.300 0.119 0.000 1.232 263 M CA -0.866 54.456 55.300 0.036 0.000 0.849 263 M CB 2.388 35.000 32.600 0.020 0.000 1.695 263 M HN 0.368 nan 8.290 nan 0.000 0.481 264 V N -1.901 118.071 119.914 0.098 0.000 3.461 264 V HA 0.117 4.224 4.120 -0.022 0.000 0.267 264 V C 0.696 176.866 176.094 0.127 0.000 1.186 264 V CA 0.629 63.029 62.300 0.167 0.000 1.154 264 V CB -0.758 31.120 31.823 0.092 0.000 0.802 264 V HN 0.883 nan 8.190 nan 0.000 0.474 265 N N 2.305 121.037 118.700 0.052 0.000 2.739 265 N HA 0.059 4.786 4.740 -0.022 0.000 0.266 265 N C 1.130 176.580 175.510 -0.101 0.000 1.168 265 N CA 0.299 53.339 53.050 -0.016 0.000 1.055 265 N CB 0.483 38.974 38.487 0.005 0.000 1.393 265 N HN 0.583 nan 8.380 nan 0.000 0.514 266 K N 2.332 122.540 120.400 -0.319 0.000 2.034 266 K HA -0.180 4.127 4.320 -0.022 0.000 0.214 266 K C 1.356 177.788 176.600 -0.281 0.000 1.051 266 K CA 1.204 57.097 56.287 -0.655 0.000 0.931 266 K CB 0.186 32.035 32.500 -1.085 0.000 0.715 266 K HN 0.310 nan 8.250 nan 0.000 0.446 267 R N 0.656 121.053 120.500 -0.172 0.000 2.091 267 R HA -0.147 4.180 4.340 -0.022 0.000 0.238 267 R C 2.359 178.650 176.300 -0.015 0.000 1.136 267 R CA 1.056 57.112 56.100 -0.073 0.000 0.959 267 R CB -0.962 29.307 30.300 -0.051 0.000 0.856 267 R HN 0.319 nan 8.270 nan 0.000 0.437 268 L N 0.878 122.098 121.223 -0.005 0.000 2.056 268 L HA -0.085 4.242 4.340 -0.022 0.000 0.207 268 L C 2.043 178.953 176.870 0.066 0.000 1.078 268 L CA 1.587 56.456 54.840 0.048 0.000 0.749 268 L CB -0.434 41.666 42.059 0.068 0.000 0.901 268 L HN -0.010 nan 8.230 nan 0.000 0.433 269 I N -0.115 120.479 120.570 0.040 0.000 2.226 269 I HA -0.245 3.912 4.170 -0.022 0.000 0.245 269 I C 2.507 178.667 176.117 0.072 0.000 1.100 269 I CA 1.287 62.624 61.300 0.061 0.000 1.374 269 I CB -1.236 36.809 38.000 0.075 0.000 1.057 269 I HN 0.438 nan 8.210 nan 0.000 0.413 270 E N 0.633 120.870 120.200 0.062 0.000 2.051 270 E HA -0.248 4.089 4.350 -0.022 0.000 0.192 270 E C 1.779 178.518 176.600 0.232 0.000 0.991 270 E CA 1.511 57.990 56.400 0.132 0.000 0.799 270 E CB -0.041 29.734 29.700 0.126 0.000 0.748 270 E HN 0.421 nan 8.360 nan 0.000 0.449 271 D N -0.019 120.486 120.400 0.175 0.000 2.097 271 D HA -0.131 4.496 4.640 -0.022 0.000 0.195 271 D C 2.002 178.431 176.300 0.215 0.000 0.989 271 D CA 0.755 54.870 54.000 0.191 0.000 0.827 271 D CB -0.148 40.718 40.800 0.109 0.000 0.966 271 D HN -0.019 nan 8.370 nan 0.000 0.456 272 V N 0.533 120.546 119.914 0.166 0.000 2.343 272 V HA -0.235 3.872 4.120 -0.022 0.000 0.247 272 V C 2.413 178.608 176.094 0.168 0.000 1.051 272 V CA 1.936 64.340 62.300 0.173 0.000 1.036 272 V CB -0.823 31.087 31.823 0.146 0.000 0.654 272 V HN 0.242 nan 8.190 nan 0.000 0.451 273 T N -1.078 113.533 114.554 0.094 0.000 2.684 273 T HA -0.218 4.119 4.350 -0.022 0.000 0.267 273 T C 1.833 176.504 174.700 -0.048 0.000 1.036 273 T CA 1.722 63.818 62.100 -0.007 0.000 1.148 273 T CB -0.409 68.395 68.868 -0.107 0.000 0.863 273 T HN 0.538 nan 8.240 nan 0.000 0.436 274 H N -0.801 118.324 119.070 0.092 0.000 2.423 274 H HA -0.020 4.523 4.556 -0.022 0.000 0.297 274 H C 2.097 177.465 175.328 0.066 0.000 1.075 274 H CA 1.241 57.328 56.048 0.064 0.000 1.342 274 H CB -0.344 29.452 29.762 0.056 0.000 1.395 274 H HN 0.405 nan 8.280 nan 0.000 0.530 275 Y N 1.291 121.664 120.300 0.122 0.000 2.242 275 Y HA -0.130 4.407 4.550 -0.021 0.000 0.291 275 Y C 2.494 178.421 175.900 0.046 0.000 1.137 275 Y CA 0.820 58.965 58.100 0.074 0.000 1.181 275 Y CB -0.335 38.162 38.460 0.062 0.000 0.989 275 Y HN 0.008 nan 8.280 nan 0.000 0.527 276 L N -0.236 121.121 121.223 0.224 0.000 2.056 276 L HA -0.249 4.078 4.340 -0.022 0.000 0.207 276 L C 2.227 179.117 176.870 0.034 0.000 1.078 276 L CA 1.272 56.195 54.840 0.137 0.000 0.749 276 L CB -0.657 41.486 42.059 0.140 0.000 0.901 276 L HN 0.261 nan 8.230 nan 0.000 0.433 277 N N 0.378 119.085 118.700 0.011 0.000 2.149 277 N HA -0.170 4.557 4.740 -0.022 0.000 0.188 277 N C 1.768 177.241 175.510 -0.062 0.000 1.019 277 N CA 1.562 54.596 53.050 -0.027 0.000 0.857 277 N CB -0.060 38.406 38.487 -0.035 0.000 0.997 277 N HN 0.311 nan 8.380 nan 0.000 0.426 278 A N 0.474 123.239 122.820 -0.092 0.000 2.121 278 A HA 0.022 4.328 4.320 -0.022 0.000 0.218 278 A C 1.973 179.478 177.584 -0.132 0.000 1.154 278 A CA 0.630 52.580 52.037 -0.146 0.000 0.679 278 A CB -0.218 18.651 19.000 -0.219 0.000 0.795 278 A HN 0.219 nan 8.150 nan 0.000 0.458 279 L N -1.771 119.388 121.223 -0.107 0.000 2.640 279 L HA 0.273 4.600 4.340 -0.022 0.000 0.230 279 L C 1.519 178.359 176.870 -0.049 0.000 1.123 279 L CA 0.543 55.343 54.840 -0.066 0.000 0.900 279 L CB 0.232 42.258 42.059 -0.055 0.000 1.146 279 L HN 0.538 nan 8.230 nan 0.000 0.484 280 G N 0.732 109.507 108.800 -0.042 0.000 2.176 280 G HA2 -0.239 3.708 3.960 -0.022 0.000 0.232 280 G HA3 -0.239 3.708 3.960 -0.022 0.000 0.232 280 G C 0.153 175.044 174.900 -0.014 0.000 0.986 280 G CA -0.464 44.619 45.100 -0.028 0.000 0.643 280 G HN 0.228 nan 8.290 nan 0.000 0.522 281 I N 2.006 122.573 120.570 -0.006 0.000 2.291 281 I HA 0.252 4.408 4.170 -0.022 0.000 0.290 281 I C 0.124 176.250 176.117 0.015 0.000 1.050 281 I CA -0.846 60.467 61.300 0.021 0.000 1.245 281 I CB 1.115 39.156 38.000 0.068 0.000 1.405 281 I HN -0.172 nan 8.210 nan 0.000 0.478 282 K N 6.420 126.823 120.400 0.005 0.000 2.079 282 K HA 0.336 4.642 4.320 -0.022 0.000 0.255 282 K C -0.037 176.562 176.600 -0.002 0.000 1.114 282 K CA -0.034 56.251 56.287 -0.004 0.000 1.056 282 K CB 0.103 32.601 32.500 -0.004 0.000 1.176 282 K HN 0.610 nan 8.250 nan 0.000 0.353 283 A N 3.619 126.437 122.820 -0.004 0.000 2.311 283 A HA 0.770 5.077 4.320 -0.022 0.000 0.334 283 A C 0.067 177.643 177.584 -0.013 0.000 1.139 283 A CA -0.806 51.231 52.037 0.001 0.000 0.830 283 A CB 1.126 20.134 19.000 0.012 0.000 1.234 283 A HN 0.730 nan 8.150 nan 0.000 0.483 284 R N 0.340 120.852 120.500 0.019 0.000 2.799 284 R HA 0.759 5.086 4.340 -0.022 0.000 0.270 284 R C -1.721 174.619 176.300 0.067 0.000 1.010 284 R CA -0.756 55.355 56.100 0.018 0.000 0.916 284 R CB 1.126 31.441 30.300 0.024 0.000 1.228 284 R HN 0.488 nan 8.270 nan 0.000 0.469 285 I N 1.125 121.733 120.570 0.062 0.000 2.460 285 I HA 0.511 4.668 4.170 -0.022 0.000 0.298 285 I C 0.003 176.203 176.117 0.138 0.000 0.989 285 I CA -1.033 60.330 61.300 0.105 0.000 1.173 285 I CB 1.758 39.820 38.000 0.104 0.000 1.338 285 I HN 0.405 nan 8.210 nan 0.000 0.456 286 R N 4.123 124.729 120.500 0.177 0.000 2.686 286 R HA 0.455 4.782 4.340 -0.022 0.000 0.283 286 R C -1.177 175.154 176.300 0.052 0.000 0.978 286 R CA -0.918 55.264 56.100 0.137 0.000 0.897 286 R CB 2.543 32.970 30.300 0.212 0.000 1.192 286 R HN 0.577 nan 8.270 nan 0.000 0.457 287 E N 2.097 122.284 120.200 -0.023 0.000 2.174 287 E HA 0.143 4.480 4.350 -0.022 0.000 0.282 287 E C -0.753 175.779 176.600 -0.114 0.000 0.992 287 E CA -0.375 55.934 56.400 -0.152 0.000 0.803 287 E CB 1.786 31.382 29.700 -0.173 0.000 1.090 287 E HN 0.151 nan 8.360 nan 0.000 0.396 288 K N 4.522 124.833 120.400 -0.149 0.000 2.316 288 K HA 0.184 4.491 4.320 -0.022 0.000 0.267 288 K C -0.763 175.769 176.600 -0.113 0.000 1.025 288 K CA -0.827 55.403 56.287 -0.094 0.000 0.896 288 K CB 0.608 33.069 32.500 -0.065 0.000 1.124 288 K HN 0.345 nan 8.250 nan 0.000 0.451 289 L N 4.854 126.026 121.223 -0.086 0.000 2.615 289 L HA 0.071 4.398 4.340 -0.022 0.000 0.271 289 L C 0.163 176.994 176.870 -0.066 0.000 1.183 289 L CA 1.014 55.808 54.840 -0.076 0.000 0.933 289 L CB 0.043 42.069 42.059 -0.055 0.000 1.199 289 L HN 0.685 nan 8.230 nan 0.000 0.487 290 R N 3.486 123.945 120.500 -0.068 0.000 2.981 290 R HA 0.376 4.703 4.340 -0.022 0.000 0.228 290 R C 0.929 177.202 176.300 -0.044 0.000 1.421 290 R CA -0.746 55.320 56.100 -0.057 0.000 1.073 290 R CB 1.085 31.349 30.300 -0.059 0.000 1.568 290 R HN 0.678 nan 8.270 nan 0.000 0.514 291 K N 0.406 120.782 120.400 -0.040 0.000 1.964 291 K HA -0.129 4.178 4.320 -0.022 0.000 0.218 291 K C 1.111 177.695 176.600 -0.028 0.000 1.043 291 K CA 2.259 58.526 56.287 -0.033 0.000 0.966 291 K CB -0.199 32.281 32.500 -0.033 0.000 0.739 291 K HN 0.496 nan 8.250 nan 0.000 0.443 292 D N -0.504 119.881 120.400 -0.025 0.000 2.340 292 D HA 0.115 4.742 4.640 -0.022 0.000 0.220 292 D C 0.441 176.733 176.300 -0.013 0.000 1.039 292 D CA 0.317 54.306 54.000 -0.018 0.000 0.866 292 D CB 0.900 41.690 40.800 -0.016 0.000 0.913 292 D HN 0.371 nan 8.370 nan 0.000 0.523 293 G N -0.604 108.184 108.800 -0.020 0.000 2.500 293 G HA2 0.509 4.456 3.960 -0.022 0.000 0.299 293 G HA3 0.509 4.456 3.960 -0.022 0.000 0.299 293 G C -1.628 173.246 174.900 -0.043 0.000 1.242 293 G CA -0.818 44.273 45.100 -0.015 0.000 0.859 293 G HN 0.025 nan 8.290 nan 0.000 0.481 294 I N 0.660 121.196 120.570 -0.056 0.000 2.509 294 I HA 0.378 4.535 4.170 -0.022 0.000 0.293 294 I C -1.406 174.575 176.117 -0.227 0.000 1.020 294 I CA -0.658 60.539 61.300 -0.171 0.000 1.088 294 I CB 2.359 40.203 38.000 -0.260 0.000 1.267 294 I HN 0.261 nan 8.210 nan 0.000 0.430 295 D N 4.505 124.745 120.400 -0.266 0.000 2.217 295 D HA 0.346 4.973 4.640 -0.022 0.000 0.243 295 D C -1.190 174.912 176.300 -0.329 0.000 1.054 295 D CA -0.043 53.846 54.000 -0.183 0.000 0.838 295 D CB 1.046 41.791 40.800 -0.091 0.000 1.162 295 D HN 0.167 nan 8.370 nan 0.000 0.472 296 Y N 1.101 121.394 120.300 -0.011 0.000 2.425 296 Y HA 0.376 4.913 4.550 -0.022 0.000 0.347 296 Y C 0.076 175.958 175.900 -0.030 0.000 0.976 296 Y CA -0.766 57.331 58.100 -0.006 0.000 1.190 296 Y CB 0.707 39.170 38.460 0.005 0.000 1.136 296 Y HN 0.050 nan 8.280 nan 0.000 0.517 297 V N 5.940 125.868 119.914 0.024 0.000 2.370 297 V HA 0.248 4.355 4.120 -0.022 0.000 0.283 297 V C -0.089 175.908 176.094 -0.161 0.000 1.023 297 V CA -1.047 61.193 62.300 -0.101 0.000 0.857 297 V CB 1.527 33.240 31.823 -0.183 0.000 0.985 297 V HN 0.668 nan 8.190 nan 0.000 0.443 298 L N 5.637 126.769 121.223 -0.152 0.000 2.331 298 L HA 0.503 4.830 4.340 -0.022 0.000 0.278 298 L C -0.447 176.264 176.870 -0.264 0.000 1.106 298 L CA 0.013 54.791 54.840 -0.102 0.000 0.824 298 L CB 0.301 42.354 42.059 -0.009 0.000 1.142 298 L HN 0.638 nan 8.230 nan 0.000 0.443 299 H N 4.146 123.217 119.070 0.003 0.000 2.572 299 H HA 0.520 5.063 4.556 -0.022 0.000 0.359 299 H C -1.143 174.153 175.328 -0.054 0.000 1.134 299 H CA -0.607 55.429 56.048 -0.021 0.000 1.187 299 H CB 2.391 32.145 29.762 -0.013 0.000 1.597 299 H HN 0.373 nan 8.280 nan 0.000 0.524 300 V N 3.260 123.198 119.914 0.040 0.000 2.488 300 V HA 0.120 4.227 4.120 -0.022 0.000 0.293 300 V C -0.081 175.999 176.094 -0.023 0.000 1.027 300 V CA -0.433 61.841 62.300 -0.044 0.000 0.862 300 V CB 1.701 33.405 31.823 -0.199 0.000 1.008 300 V HN 0.818 nan 8.190 nan 0.000 0.428 301 E N 1.796 122.003 120.200 0.011 0.000 2.536 301 E HA 0.170 4.507 4.350 -0.022 0.000 0.220 301 E C 0.437 177.082 176.600 0.074 0.000 0.876 301 E CA -0.222 56.200 56.400 0.037 0.000 1.190 301 E CB 0.867 30.583 29.700 0.027 0.000 1.191 301 E HN 0.732 nan 8.360 nan 0.000 0.557 302 E N 0.789 121.017 120.200 0.047 0.000 2.351 302 E HA -0.077 4.260 4.350 -0.022 0.000 0.266 302 E C -0.037 176.590 176.600 0.044 0.000 1.031 302 E CA -0.201 56.238 56.400 0.065 0.000 0.911 302 E CB 0.317 30.038 29.700 0.035 0.000 0.986 302 E HN 0.178 nan 8.360 nan 0.000 0.446 303 Y N 4.146 124.412 120.300 -0.057 0.000 2.069 303 Y HA -0.365 4.172 4.550 -0.022 0.000 0.278 303 Y C 2.304 178.135 175.900 -0.114 0.000 1.175 303 Y CA 2.482 60.460 58.100 -0.204 0.000 1.134 303 Y CB -0.391 37.684 38.460 -0.642 0.000 0.965 303 Y HN 0.636 nan 8.280 nan 0.000 0.498 304 S N -1.455 114.147 115.700 -0.163 0.000 2.382 304 S HA -0.198 4.259 4.470 -0.022 0.000 0.228 304 S C 2.132 176.636 174.600 -0.159 0.000 1.027 304 S CA 1.448 59.541 58.200 -0.179 0.000 0.991 304 S CB -0.891 62.309 63.200 0.001 0.000 0.823 304 S HN 0.441 nan 8.310 nan 0.000 0.469 305 S N 1.670 117.314 115.700 -0.094 0.000 2.387 305 S HA 0.220 4.677 4.470 -0.022 0.000 0.226 305 S C 1.754 176.334 174.600 -0.033 0.000 1.026 305 S CA 0.884 59.060 58.200 -0.041 0.000 0.972 305 S CB -0.477 62.715 63.200 -0.014 0.000 0.814 305 S HN 0.438 nan 8.310 nan 0.000 0.477 306 L N 0.584 121.742 121.223 -0.108 0.000 2.056 306 L HA -0.089 4.238 4.340 -0.022 0.000 0.207 306 L C 2.294 179.146 176.870 -0.030 0.000 1.078 306 L CA 0.746 55.540 54.840 -0.077 0.000 0.749 306 L CB -0.387 41.602 42.059 -0.116 0.000 0.901 306 L HN 0.280 nan 8.230 nan 0.000 0.433 307 L N -0.022 121.064 121.223 -0.229 0.000 2.046 307 L HA -0.208 4.119 4.340 -0.022 0.000 0.208 307 L C 2.703 179.578 176.870 0.008 0.000 1.077 307 L CA 1.658 56.396 54.840 -0.171 0.000 0.747 307 L CB -0.507 41.323 42.059 -0.381 0.000 0.896 307 L HN 0.110 nan 8.230 nan 0.000 0.432 308 R N -1.208 119.283 120.500 -0.014 0.000 2.092 308 R HA -0.192 4.135 4.340 -0.022 0.000 0.231 308 R C 2.205 178.507 176.300 0.003 0.000 1.119 308 R CA 1.583 57.684 56.100 0.001 0.000 0.970 308 R CB -0.991 29.303 30.300 -0.010 0.000 0.864 308 R HN 0.398 nan 8.270 nan 0.000 0.440 309 F N -0.223 119.672 119.950 -0.091 0.000 2.134 309 F HA -0.206 4.308 4.527 -0.022 0.000 0.299 309 F C 1.871 177.599 175.800 -0.119 0.000 1.097 309 F CA 1.690 59.617 58.000 -0.121 0.000 1.264 309 F CB -0.559 38.360 39.000 -0.135 0.000 1.001 309 F HN 0.168 nan 8.300 nan 0.000 0.479 310 Y N 1.413 121.725 120.300 0.020 0.000 2.181 310 Y HA -0.188 4.348 4.550 -0.022 0.000 0.288 310 Y C 2.214 178.030 175.900 -0.139 0.000 1.146 310 Y CA 2.242 60.312 58.100 -0.050 0.000 1.164 310 Y CB -0.563 37.898 38.460 0.002 0.000 0.982 310 Y HN 0.232 nan 8.280 nan 0.000 0.515 311 E N -0.257 119.869 120.200 -0.122 0.000 2.208 311 E HA -0.126 4.211 4.350 -0.022 0.000 0.193 311 E C 1.987 178.427 176.600 -0.266 0.000 0.988 311 E CA 1.236 57.535 56.400 -0.168 0.000 0.828 311 E CB -0.051 29.644 29.700 -0.008 0.000 0.763 311 E HN 0.509 nan 8.360 nan 0.000 0.478 312 L N -0.313 120.706 121.223 -0.340 0.000 2.357 312 L HA 0.131 4.458 4.340 -0.022 0.000 0.211 312 L C 1.956 178.573 176.870 -0.421 0.000 1.075 312 L CA 0.485 55.086 54.840 -0.398 0.000 0.830 312 L CB 0.220 41.992 42.059 -0.477 0.000 0.996 312 L HN 0.099 nan 8.230 nan 0.000 0.467 313 I N -1.709 118.500 120.570 -0.601 0.000 3.739 313 I HA 0.135 4.292 4.170 -0.022 0.000 0.272 313 I C 2.428 178.197 176.117 -0.579 0.000 1.167 313 I CA 0.673 61.597 61.300 -0.626 0.000 1.386 313 I CB -0.459 36.933 38.000 -1.013 0.000 1.490 313 I HN 0.035 nan 8.210 nan 0.000 0.452 314 G N 2.981 111.371 108.800 -0.684 0.000 2.513 314 G HA2 -0.328 3.619 3.960 -0.022 0.000 0.219 314 G HA3 -0.328 3.619 3.960 -0.022 0.000 0.219 314 G C 1.550 176.144 174.900 -0.510 0.000 1.160 314 G CA 1.626 46.477 45.100 -0.415 0.000 0.767 314 G HN 0.516 nan 8.290 nan 0.000 0.571 315 K N -0.038 119.850 120.400 -0.854 0.000 2.362 315 K HA 0.054 4.361 4.320 -0.022 0.000 0.200 315 K C 1.389 177.732 176.600 -0.429 0.000 1.046 315 K CA 1.204 57.108 56.287 -0.638 0.000 0.952 315 K CB -0.047 32.078 32.500 -0.624 0.000 0.753 315 K HN 0.159 nan 8.250 nan 0.000 0.466 316 N N 0.926 119.343 118.700 -0.473 0.000 2.280 316 N HA 0.120 4.847 4.740 -0.022 0.000 0.192 316 N C -0.174 175.011 175.510 -0.543 0.000 1.109 316 N CA 0.046 52.685 53.050 -0.685 0.000 0.855 316 N CB 0.221 38.189 38.487 -0.864 0.000 0.974 316 N HN 0.185 nan 8.380 nan 0.000 0.482 317 L N 1.305 122.379 121.223 -0.248 0.000 2.453 317 L HA 0.022 4.348 4.340 -0.022 0.000 0.272 317 L C 1.603 178.400 176.870 -0.121 0.000 1.182 317 L CA -0.051 54.767 54.840 -0.036 0.000 0.858 317 L CB 0.739 42.868 42.059 0.116 0.000 1.120 317 L HN -0.094 nan 8.230 nan 0.000 0.474 318 Q N 1.524 121.268 119.800 -0.092 0.000 2.302 318 Q HA -0.009 4.318 4.340 -0.022 0.000 0.202 318 Q C 0.549 176.511 176.000 -0.063 0.000 0.936 318 Q CA 0.513 56.189 55.803 -0.212 0.000 0.886 318 Q CB -0.145 28.280 28.738 -0.522 0.000 0.986 318 Q HN 0.625 nan 8.270 nan 0.000 0.487 319 N N 1.972 120.714 118.700 0.071 0.000 2.448 319 N HA -0.026 4.701 4.740 -0.022 0.000 0.250 319 N C 0.846 176.407 175.510 0.084 0.000 1.136 319 N CA -0.018 53.086 53.050 0.090 0.000 0.953 319 N CB 0.537 39.142 38.487 0.195 0.000 1.251 319 N HN 0.074 nan 8.380 nan 0.000 0.502 320 E N 2.406 122.627 120.200 0.034 0.000 2.267 320 E HA -0.283 4.054 4.350 -0.022 0.000 0.197 320 E C 1.297 177.943 176.600 0.077 0.000 0.998 320 E CA 1.068 57.492 56.400 0.040 0.000 0.830 320 E CB 0.227 29.932 29.700 0.010 0.000 0.751 320 E HN 0.766 nan 8.360 nan 0.000 0.491 321 E N 0.361 120.620 120.200 0.098 0.000 2.072 321 E HA -0.172 4.165 4.350 -0.022 0.000 0.190 321 E C 1.775 178.465 176.600 0.149 0.000 0.982 321 E CA 0.996 57.471 56.400 0.124 0.000 0.803 321 E CB 0.186 29.981 29.700 0.159 0.000 0.755 321 E HN 0.113 nan 8.360 nan 0.000 0.453 322 K N 0.107 120.616 120.400 0.181 0.000 2.116 322 K HA -0.071 4.236 4.320 -0.022 0.000 0.203 322 K C 2.354 179.088 176.600 0.223 0.000 1.052 322 K CA 0.719 57.135 56.287 0.214 0.000 0.952 322 K CB -0.065 32.595 32.500 0.268 0.000 0.729 322 K HN 0.005 nan 8.250 nan 0.000 0.446 323 R N 1.634 122.252 120.500 0.197 0.000 2.073 323 R HA -0.143 4.184 4.340 -0.022 0.000 0.234 323 R C 1.866 178.277 176.300 0.184 0.000 1.134 323 R CA 1.535 57.754 56.100 0.198 0.000 0.952 323 R CB 0.081 30.460 30.300 0.132 0.000 0.850 323 R HN 0.204 nan 8.270 nan 0.000 0.433 324 E N 0.227 120.506 120.200 0.131 0.000 2.072 324 E HA -0.228 4.109 4.350 -0.022 0.000 0.191 324 E C 1.934 178.586 176.600 0.085 0.000 0.985 324 E CA 1.065 57.523 56.400 0.097 0.000 0.801 324 E CB -0.019 29.726 29.700 0.074 0.000 0.750 324 E HN 0.298 nan 8.360 nan 0.000 0.452 325 K N 0.936 121.395 120.400 0.099 0.000 2.097 325 K HA -0.173 4.134 4.320 -0.022 0.000 0.206 325 K C 2.254 178.900 176.600 0.075 0.000 1.049 325 K CA 0.701 57.036 56.287 0.080 0.000 0.933 325 K CB -0.058 32.492 32.500 0.085 0.000 0.717 325 K HN 0.009 nan 8.250 nan 0.000 0.442 326 L N 1.990 123.282 121.223 0.116 0.000 2.083 326 L HA -0.134 4.193 4.340 -0.022 0.000 0.209 326 L C 1.658 178.544 176.870 0.027 0.000 1.083 326 L CA 1.792 56.701 54.840 0.115 0.000 0.752 326 L CB -0.315 41.881 42.059 0.229 0.000 0.899 326 L HN 0.214 nan 8.230 nan 0.000 0.433 327 E N -0.608 119.587 120.200 -0.008 0.000 2.106 327 E HA -0.221 4.116 4.350 -0.022 0.000 0.192 327 E C 2.065 178.619 176.600 -0.076 0.000 0.984 327 E CA 1.231 57.536 56.400 -0.159 0.000 0.806 327 E CB -0.085 29.547 29.700 -0.114 0.000 0.750 327 E HN 0.540 nan 8.360 nan 0.000 0.458 328 K N 0.655 121.048 120.400 -0.012 0.000 2.031 328 K HA -0.096 4.211 4.320 -0.022 0.000 0.205 328 K C 2.423 179.034 176.600 0.019 0.000 1.049 328 K CA 1.459 57.750 56.287 0.006 0.000 0.939 328 K CB -0.238 32.274 32.500 0.020 0.000 0.717 328 K HN 0.107 nan 8.250 nan 0.000 0.438 329 V N -0.363 119.568 119.914 0.028 0.000 2.720 329 V HA -0.164 3.943 4.120 -0.022 0.000 0.256 329 V C 1.900 178.050 176.094 0.094 0.000 1.082 329 V CA 1.407 63.735 62.300 0.047 0.000 1.101 329 V CB -0.704 31.143 31.823 0.040 0.000 0.693 329 V HN 0.190 nan 8.190 nan 0.000 0.479 330 L N 1.547 122.811 121.223 0.068 0.000 2.068 330 L HA -0.051 4.276 4.340 -0.022 0.000 0.204 330 L C 2.857 179.824 176.870 0.163 0.000 1.076 330 L CA 1.673 56.585 54.840 0.120 0.000 0.753 330 L CB -0.492 41.540 42.059 -0.044 0.000 0.910 330 L HN 0.593 nan 8.230 nan 0.000 0.439 331 S N -1.141 114.596 115.700 0.062 0.000 2.603 331 S HA -0.011 4.446 4.470 -0.022 0.000 0.229 331 S C 0.695 175.332 174.600 0.061 0.000 0.972 331 S CA 0.276 58.508 58.200 0.055 0.000 0.935 331 S CB -0.296 62.911 63.200 0.011 0.000 0.769 331 S HN 0.377 nan 8.310 nan 0.000 0.536 332 N N 1.978 120.724 118.700 0.077 0.000 2.844 332 N HA 0.142 4.869 4.740 -0.022 0.000 0.268 332 N C -1.530 174.019 175.510 0.065 0.000 1.574 332 N CA -0.207 52.872 53.050 0.050 0.000 0.838 332 N CB 0.588 39.089 38.487 0.022 0.000 1.177 332 N HN 0.404 nan 8.380 nan 0.000 0.495 333 H N 2.514 121.566 119.070 -0.029 0.000 2.511 333 H HA 0.158 4.701 4.556 -0.022 0.000 0.328 333 H C 1.024 176.281 175.328 -0.118 0.000 1.044 333 H CA -0.329 55.681 56.048 -0.063 0.000 1.212 333 H CB 1.368 31.064 29.762 -0.110 0.000 1.428 333 H HN 0.130 nan 8.280 nan 0.000 0.483 334 K N 3.596 123.842 120.400 -0.256 0.000 2.025 334 K HA 0.068 4.375 4.320 -0.022 0.000 0.207 334 K C 0.567 177.163 176.600 -0.006 0.000 1.049 334 K CA 0.992 57.203 56.287 -0.126 0.000 0.933 334 K CB -0.024 32.380 32.500 -0.160 0.000 0.714 334 K HN 0.698 nan 8.250 nan 0.000 0.438 335 G N 0.163 109.005 108.800 0.069 0.000 2.542 335 G HA2 0.255 4.202 3.960 -0.022 0.000 0.391 335 G HA3 0.255 4.202 3.960 -0.022 0.000 0.391 335 G C -0.462 174.546 174.900 0.179 0.000 1.551 335 G CA -0.577 44.640 45.100 0.195 0.000 0.946 335 G HN 0.440 nan 8.290 nan 0.000 0.662 336 G N 0.557 109.494 108.800 0.227 0.000 2.360 336 G HA2 0.426 4.373 3.960 -0.022 0.000 0.279 336 G HA3 0.426 4.373 3.960 -0.022 0.000 0.279 336 G C 0.706 175.649 174.900 0.073 0.000 1.189 336 G CA -0.272 44.919 45.100 0.152 0.000 0.941 336 G HN 0.595 nan 8.290 nan 0.000 0.445 337 N N 1.205 119.943 118.700 0.064 0.000 2.494 337 N HA -0.049 4.678 4.740 -0.022 0.000 0.182 337 N C 0.522 176.055 175.510 0.038 0.000 1.076 337 N CA -0.083 52.985 53.050 0.029 0.000 0.908 337 N CB 0.017 38.519 38.487 0.025 0.000 0.967 337 N HN 0.547 nan 8.380 nan 0.000 0.449 338 F N 2.015 121.941 119.950 -0.040 0.000 2.518 338 F HA 0.258 4.771 4.527 -0.022 0.000 0.375 338 F C 0.985 176.740 175.800 -0.075 0.000 1.097 338 F CA -1.123 56.846 58.000 -0.052 0.000 1.108 338 F CB -0.314 38.658 39.000 -0.046 0.000 1.078 338 F HN -0.093 nan 8.300 nan 0.000 0.564 339 G N 7.560 115.903 108.800 -0.761 0.000 2.353 339 G HA2 0.434 4.381 3.960 -0.022 0.000 0.284 339 G HA3 0.434 4.381 3.960 -0.022 0.000 0.284 339 G C -0.791 173.517 174.900 -0.987 0.000 1.172 339 G CA -0.848 43.817 45.100 -0.724 0.000 0.854 339 G HN 0.730 nan 8.290 nan 0.000 0.485 340 L N 3.947 124.760 121.223 -0.683 0.000 2.349 340 L HA 0.288 4.615 4.340 -0.022 0.000 0.275 340 L C -1.670 175.016 176.870 -0.307 0.000 1.115 340 L CA -1.787 52.766 54.840 -0.479 0.000 0.820 340 L CB 1.810 43.668 42.059 -0.335 0.000 1.135 340 L HN 0.366 nan 8.230 nan 0.000 0.445 341 P HA 0.225 nan 4.420 nan 0.000 0.260 341 P C -1.015 176.246 177.300 -0.065 0.000 1.651 341 P CA 0.139 63.181 63.100 -0.097 0.000 1.139 341 P CB 0.220 31.882 31.700 -0.063 0.000 1.756 342 L N 3.110 124.344 121.223 0.019 0.000 2.381 342 L HA 0.433 4.760 4.340 -0.022 0.000 0.268 342 L C 0.329 177.457 176.870 0.429 0.000 0.997 342 L CA -0.966 53.933 54.840 0.097 0.000 0.818 342 L CB 1.998 44.066 42.059 0.015 0.000 1.310 342 L HN 0.080 nan 8.230 nan 0.000 0.416 343 N N 1.494 120.408 118.700 0.357 0.000 2.458 343 N HA 0.075 4.802 4.740 -0.022 0.000 0.270 343 N C 0.502 176.161 175.510 0.249 0.000 1.102 343 N CA -0.171 53.064 53.050 0.308 0.000 0.967 343 N CB 1.170 39.771 38.487 0.191 0.000 1.078 343 N HN 0.550 nan 8.380 nan 0.000 0.471 344 F N 3.568 123.380 119.950 -0.231 0.000 2.134 344 F HA -0.101 4.413 4.527 -0.022 0.000 0.299 344 F C 1.608 177.139 175.800 -0.448 0.000 1.097 344 F CA 1.427 58.917 58.000 -0.850 0.000 1.264 344 F CB 0.032 38.456 39.000 -0.961 0.000 1.001 344 F HN 0.410 nan 8.300 nan 0.000 0.479 345 N N 0.904 119.360 118.700 -0.407 0.000 2.166 345 N HA -0.173 4.554 4.740 -0.022 0.000 0.186 345 N C 2.048 177.354 175.510 -0.340 0.000 1.019 345 N CA 1.404 54.198 53.050 -0.426 0.000 0.856 345 N CB -0.687 37.717 38.487 -0.139 0.000 0.993 345 N HN 0.453 nan 8.380 nan 0.000 0.426 346 A N 0.708 123.441 122.820 -0.144 0.000 1.877 346 A HA -0.128 4.179 4.320 -0.022 0.000 0.216 346 A C 2.083 179.548 177.584 -0.199 0.000 1.186 346 A CA 0.907 52.917 52.037 -0.044 0.000 0.620 346 A CB -0.916 18.215 19.000 0.220 0.000 0.822 346 A HN 0.280 nan 8.150 nan 0.000 0.443 347 F N 0.707 120.387 119.950 -0.449 0.000 2.171 347 F HA -0.110 4.404 4.527 -0.022 0.000 0.300 347 F C 2.171 177.732 175.800 -0.398 0.000 1.090 347 F CA 2.055 59.734 58.000 -0.534 0.000 1.293 347 F CB -0.132 38.586 39.000 -0.471 0.000 1.013 347 F HN 0.220 nan 8.300 nan 0.000 0.486 348 K N 0.231 120.173 120.400 -0.762 0.000 2.032 348 K HA -0.214 4.093 4.320 -0.022 0.000 0.209 348 K C 2.066 178.439 176.600 -0.378 0.000 1.048 348 K CA 1.779 57.579 56.287 -0.813 0.000 0.927 348 K CB -0.232 31.582 32.500 -1.143 0.000 0.712 348 K HN 0.206 nan 8.250 nan 0.000 0.441 349 E N 0.060 120.077 120.200 -0.305 0.000 2.038 349 E HA -0.239 4.098 4.350 -0.022 0.000 0.195 349 E C 1.664 178.175 176.600 -0.148 0.000 1.000 349 E CA 1.430 57.726 56.400 -0.174 0.000 0.803 349 E CB -0.491 29.140 29.700 -0.116 0.000 0.750 349 E HN 0.509 nan 8.360 nan 0.000 0.448 350 W N 1.540 122.637 121.300 -0.339 0.000 2.333 350 W HA -0.191 4.456 4.660 -0.022 0.000 0.316 350 W C 2.398 178.764 176.519 -0.255 0.000 1.215 350 W CA 2.596 59.757 57.345 -0.307 0.000 1.278 350 W CB -0.518 28.706 29.460 -0.393 0.000 1.154 350 W HN 0.053 nan 8.180 nan 0.000 0.486 351 A N 0.123 122.671 122.820 -0.454 0.000 2.067 351 A HA -0.168 4.139 4.320 -0.022 0.000 0.219 351 A C 2.082 179.531 177.584 -0.226 0.000 1.158 351 A CA 2.284 54.051 52.037 -0.450 0.000 0.661 351 A CB -1.416 17.417 19.000 -0.278 0.000 0.801 351 A HN 0.427 nan 8.150 nan 0.000 0.452 352 S N 0.080 115.672 115.700 -0.180 0.000 2.399 352 S HA -0.241 4.216 4.470 -0.022 0.000 0.231 352 S C 1.746 176.202 174.600 -0.240 0.000 1.022 352 S CA 1.341 59.461 58.200 -0.133 0.000 0.983 352 S CB -0.522 62.620 63.200 -0.095 0.000 0.803 352 S HN 0.716 nan 8.310 nan 0.000 0.480 353 E N 0.217 120.172 120.200 -0.409 0.000 2.273 353 E HA -0.202 4.135 4.350 -0.022 0.000 0.198 353 E C 0.684 176.892 176.600 -0.654 0.000 1.002 353 E CA 1.136 57.199 56.400 -0.562 0.000 0.828 353 E CB -0.183 29.048 29.700 -0.781 0.000 0.747 353 E HN 0.838 nan 8.360 nan 0.000 0.491 354 Y N -1.259 118.847 120.300 -0.322 0.000 2.458 354 Y HA 0.310 4.847 4.550 -0.022 0.000 0.256 354 Y C 1.467 177.252 175.900 -0.191 0.000 1.159 354 Y CA 0.320 58.264 58.100 -0.259 0.000 1.261 354 Y CB 1.160 39.432 38.460 -0.313 0.000 1.119 354 Y HN 0.154 nan 8.280 nan 0.000 0.524 355 G N 0.183 108.935 108.800 -0.081 0.000 2.141 355 G HA2 -0.267 3.680 3.960 -0.022 0.000 0.242 355 G HA3 -0.267 3.680 3.960 -0.022 0.000 0.242 355 G C -0.128 174.710 174.900 -0.102 0.000 0.982 355 G CA 0.093 45.145 45.100 -0.080 0.000 0.662 355 G HN 0.099 nan 8.290 nan 0.000 0.527 356 V N 1.006 120.842 119.914 -0.131 0.000 2.521 356 V HA 0.322 4.429 4.120 -0.022 0.000 0.286 356 V C 0.754 176.609 176.094 -0.398 0.000 1.034 356 V CA 0.214 62.355 62.300 -0.265 0.000 1.045 356 V CB 1.155 32.799 31.823 -0.298 0.000 0.974 356 V HN 0.424 nan 8.190 nan 0.000 0.480 357 E N 3.643 123.601 120.200 -0.403 0.000 2.214 357 E HA 0.576 4.913 4.350 -0.022 0.000 0.274 357 E C -1.369 174.932 176.600 -0.498 0.000 0.977 357 E CA -0.437 55.777 56.400 -0.310 0.000 0.827 357 E CB 1.708 31.327 29.700 -0.136 0.000 1.130 357 E HN 0.515 nan 8.360 nan 0.000 0.394 358 F N 1.333 121.324 119.950 0.068 0.000 2.532 358 F HA 0.470 4.984 4.527 -0.022 0.000 0.321 358 F C 0.291 176.115 175.800 0.040 0.000 1.089 358 F CA -0.727 57.334 58.000 0.102 0.000 0.926 358 F CB 1.670 40.795 39.000 0.209 0.000 1.168 358 F HN 0.108 nan 8.300 nan 0.000 0.459 359 K N 0.294 120.808 120.400 0.191 0.000 2.444 359 K HA 0.748 5.055 4.320 -0.022 0.000 0.252 359 K C -0.927 175.664 176.600 -0.014 0.000 0.993 359 K CA -1.036 55.290 56.287 0.065 0.000 0.847 359 K CB 2.668 35.193 32.500 0.041 0.000 1.340 359 K HN 0.714 nan 8.250 nan 0.000 0.446 360 T N -1.584 112.926 114.554 -0.073 0.000 2.916 360 T HA 0.440 4.777 4.350 -0.022 0.000 0.292 360 T C -0.796 173.891 174.700 -0.021 0.000 1.055 360 T CA -0.866 61.153 62.100 -0.134 0.000 1.009 360 T CB 1.427 70.114 68.868 -0.302 0.000 1.118 360 T HN 0.469 nan 8.240 nan 0.000 0.497 361 N N 0.568 119.284 118.700 0.027 0.000 2.675 361 N HA 0.426 5.153 4.740 -0.022 0.000 0.254 361 N C 0.777 176.327 175.510 0.066 0.000 1.224 361 N CA 0.749 53.822 53.050 0.040 0.000 0.777 361 N CB 0.805 39.314 38.487 0.037 0.000 1.256 361 N HN 1.370 nan 8.380 nan 0.000 0.531 362 G N 2.396 111.237 108.800 0.068 0.000 2.556 362 G HA2 -0.367 3.580 3.960 -0.022 0.000 0.283 362 G HA3 -0.367 3.580 3.960 -0.022 0.000 0.283 362 G C 0.843 175.820 174.900 0.128 0.000 1.177 362 G CA 0.735 45.879 45.100 0.074 0.000 0.978 362 G HN 1.060 nan 8.290 nan 0.000 0.554 363 S N 0.335 116.076 115.700 0.068 0.000 2.603 363 S HA 0.221 4.678 4.470 -0.022 0.000 0.220 363 S C 0.971 175.604 174.600 0.055 0.000 0.967 363 S CA 1.474 59.673 58.200 -0.002 0.000 0.920 363 S CB 0.180 63.350 63.200 -0.050 0.000 0.773 363 S HN 0.912 nan 8.310 nan 0.000 0.529 364 Q N 1.451 121.337 119.800 0.144 0.000 2.259 364 Q HA 0.346 4.673 4.340 -0.022 0.000 0.249 364 Q C -1.122 175.004 176.000 0.209 0.000 0.914 364 Q CA -0.243 55.643 55.803 0.139 0.000 0.904 364 Q CB 0.906 29.692 28.738 0.079 0.000 1.213 364 Q HN 0.290 nan 8.270 nan 0.000 0.428 365 T N 4.436 119.103 114.554 0.189 0.000 2.824 365 T HA 0.599 4.936 4.350 -0.022 0.000 0.280 365 T C -0.298 174.487 174.700 0.141 0.000 0.995 365 T CA -0.466 61.702 62.100 0.114 0.000 1.009 365 T CB 0.624 69.540 68.868 0.081 0.000 0.955 365 T HN 0.494 nan 8.240 nan 0.000 0.452 366 I N 1.752 122.413 120.570 0.152 0.000 2.582 366 I HA 0.653 4.810 4.170 -0.022 0.000 0.292 366 I C -0.225 176.047 176.117 0.260 0.000 1.066 366 I CA -1.150 60.255 61.300 0.175 0.000 1.053 366 I CB 1.952 40.009 38.000 0.096 0.000 1.241 366 I HN 0.710 nan 8.210 nan 0.000 0.421 367 A N 7.048 130.000 122.820 0.220 0.000 2.337 367 A HA 0.865 5.172 4.320 -0.022 0.000 0.329 367 A C -0.746 176.821 177.584 -0.029 0.000 1.146 367 A CA -0.480 51.604 52.037 0.078 0.000 0.800 367 A CB 0.814 19.941 19.000 0.212 0.000 1.220 367 A HN 0.663 nan 8.150 nan 0.000 0.472 368 I N 2.852 123.329 120.570 -0.154 0.000 2.382 368 I HA 0.372 4.529 4.170 -0.022 0.000 0.286 368 I C -0.940 175.107 176.117 -0.116 0.000 1.002 368 I CA -0.037 61.205 61.300 -0.097 0.000 1.135 368 I CB 1.277 39.226 38.000 -0.085 0.000 1.288 368 I HN 0.472 nan 8.210 nan 0.000 0.448 369 I N 6.057 126.591 120.570 -0.060 0.000 2.439 369 I HA 0.276 4.433 4.170 -0.022 0.000 0.283 369 I C -0.266 175.831 176.117 -0.033 0.000 1.023 369 I CA -0.555 60.715 61.300 -0.050 0.000 1.100 369 I CB 1.332 39.319 38.000 -0.021 0.000 1.238 369 I HN 0.614 nan 8.210 nan 0.000 0.445 370 N N 4.936 123.613 118.700 -0.038 0.000 2.727 370 N HA -0.209 4.518 4.740 -0.022 0.000 0.251 370 N C 0.107 175.603 175.510 -0.022 0.000 1.040 370 N CA 1.035 54.068 53.050 -0.029 0.000 0.712 370 N CB -0.685 37.788 38.487 -0.023 0.000 0.912 370 N HN 0.825 nan 8.380 nan 0.000 0.545 371 D N -2.503 117.882 120.400 -0.026 0.000 2.614 371 D HA -0.278 4.349 4.640 -0.022 0.000 0.182 371 D C 0.308 176.601 176.300 -0.013 0.000 1.067 371 D CA 1.883 55.872 54.000 -0.019 0.000 1.053 371 D CB -0.723 40.069 40.800 -0.014 0.000 1.117 371 D HN 0.839 nan 8.370 nan 0.000 0.438 372 E N 0.934 121.128 120.200 -0.010 0.000 2.354 372 E HA 0.272 4.609 4.350 -0.022 0.000 0.269 372 E C -0.148 176.453 176.600 0.003 0.000 1.036 372 E CA -0.258 56.142 56.400 -0.000 0.000 0.876 372 E CB 0.713 30.417 29.700 0.006 0.000 1.009 372 E HN 0.066 nan 8.360 nan 0.000 0.416 373 R N 4.107 124.613 120.500 0.011 0.000 2.255 373 R HA 0.423 4.750 4.340 -0.022 0.000 0.326 373 R C -0.649 175.673 176.300 0.036 0.000 0.986 373 R CA -0.391 55.722 56.100 0.021 0.000 0.847 373 R CB 0.862 31.174 30.300 0.020 0.000 1.111 373 R HN 0.516 nan 8.270 nan 0.000 0.452 374 I N 1.398 122.001 120.570 0.055 0.000 2.418 374 I HA 0.157 4.314 4.170 -0.022 0.000 0.287 374 I C 0.132 176.310 176.117 0.103 0.000 1.008 374 I CA -0.596 60.748 61.300 0.075 0.000 1.104 374 I CB 2.106 40.162 38.000 0.093 0.000 1.264 374 I HN 0.469 nan 8.210 nan 0.000 0.438 375 S N 6.276 122.024 115.700 0.080 0.000 2.528 375 S HA 0.409 4.866 4.470 -0.022 0.000 0.277 375 S C 0.267 174.931 174.600 0.107 0.000 1.297 375 S CA -0.286 57.967 58.200 0.088 0.000 1.052 375 S CB 0.424 63.654 63.200 0.050 0.000 0.917 375 S HN 0.587 nan 8.310 nan 0.000 0.492 376 L N 5.181 126.498 121.223 0.156 0.000 3.062 376 L HA 0.357 4.684 4.340 -0.022 0.000 0.255 376 L C 1.365 178.304 176.870 0.114 0.000 1.274 376 L CA -0.036 54.914 54.840 0.183 0.000 1.047 376 L CB -0.715 41.595 42.059 0.419 0.000 1.402 376 L HN 1.106 nan 8.230 nan 0.000 0.550 377 G N 0.917 109.752 108.800 0.058 0.000 2.566 377 G HA2 -0.362 3.585 3.960 -0.022 0.000 0.280 377 G HA3 -0.362 3.585 3.960 -0.022 0.000 0.280 377 G C 0.211 175.146 174.900 0.058 0.000 1.225 377 G CA 0.029 45.143 45.100 0.023 0.000 0.966 377 G HN 0.464 nan 8.290 nan 0.000 0.560 378 Q N -0.226 119.588 119.800 0.024 0.000 2.286 378 Q HA 0.204 4.531 4.340 -0.022 0.000 0.281 378 Q C 1.237 177.255 176.000 0.030 0.000 0.897 378 Q CA -0.585 55.219 55.803 0.002 0.000 1.023 378 Q CB 0.265 28.977 28.738 -0.043 0.000 1.151 378 Q HN 0.538 nan 8.270 nan 0.000 0.445 379 W N 1.956 123.184 121.300 -0.120 0.000 2.315 379 W HA -0.260 4.387 4.660 -0.022 0.000 0.323 379 W C 2.138 178.530 176.519 -0.213 0.000 1.233 379 W CA 2.328 59.598 57.345 -0.124 0.000 1.267 379 W CB -0.642 28.785 29.460 -0.056 0.000 1.160 379 W HN 0.574 nan 8.180 nan 0.000 0.474 380 H N -2.043 116.778 119.070 -0.414 0.000 2.543 380 H HA -0.051 4.492 4.556 -0.022 0.000 0.286 380 H C 1.384 176.613 175.328 -0.166 0.000 1.037 380 H CA 1.768 57.455 56.048 -0.602 0.000 1.250 380 H CB -0.795 28.383 29.762 -0.974 0.000 1.373 380 H HN 0.141 nan 8.280 nan 0.000 0.580 381 T N -0.428 113.769 114.554 -0.596 0.000 2.971 381 T HA 0.222 4.559 4.350 -0.022 0.000 0.252 381 T C 1.808 176.416 174.700 -0.153 0.000 1.022 381 T CA -0.127 61.719 62.100 -0.422 0.000 0.980 381 T CB 0.318 68.861 68.868 -0.542 0.000 1.044 381 T HN 0.385 nan 8.240 nan 0.000 0.501 382 R N 0.573 121.033 120.500 -0.067 0.000 2.344 382 R HA 0.319 4.646 4.340 -0.022 0.000 0.209 382 R C 0.214 176.561 176.300 0.077 0.000 0.886 382 R CA -0.032 56.067 56.100 -0.001 0.000 1.040 382 R CB 0.409 30.701 30.300 -0.013 0.000 1.114 382 R HN 0.111 nan 8.270 nan 0.000 0.547 383 N N 1.458 120.274 118.700 0.193 0.000 2.735 383 N HA -0.196 4.531 4.740 -0.022 0.000 0.248 383 N C -0.965 174.700 175.510 0.259 0.000 1.083 383 N CA 1.130 54.364 53.050 0.306 0.000 0.703 383 N CB -0.597 37.995 38.487 0.175 0.000 1.005 383 N HN 0.313 nan 8.380 nan 0.000 0.550 384 R N -0.564 120.049 120.500 0.188 0.000 2.604 384 R HA 0.697 5.024 4.340 -0.022 0.000 0.281 384 R C -1.180 174.936 176.300 -0.307 0.000 1.020 384 R CA -0.636 55.416 56.100 -0.079 0.000 0.899 384 R CB 2.951 33.185 30.300 -0.111 0.000 1.205 384 R HN -0.015 nan 8.270 nan 0.000 0.450 385 V N 1.963 121.549 119.914 -0.546 0.000 2.932 385 V HA 0.457 4.564 4.120 -0.022 0.000 0.307 385 V C -0.897 174.877 176.094 -0.534 0.000 1.147 385 V CA -0.517 61.350 62.300 -0.721 0.000 0.951 385 V CB 2.490 33.387 31.823 -1.543 0.000 1.031 385 V HN 0.936 nan 8.190 nan 0.000 0.426 386 S N 4.798 120.262 115.700 -0.394 0.000 2.565 386 S HA 0.293 4.750 4.470 -0.022 0.000 0.276 386 S C 0.987 175.442 174.600 -0.241 0.000 1.326 386 S CA 0.121 58.150 58.200 -0.284 0.000 1.045 386 S CB 1.343 64.442 63.200 -0.170 0.000 0.918 386 S HN 0.953 nan 8.310 nan 0.000 0.505 387 K N 1.999 122.303 120.400 -0.159 0.000 2.074 387 K HA -0.216 4.091 4.320 -0.022 0.000 0.209 387 K C 2.179 178.750 176.600 -0.049 0.000 1.048 387 K CA 1.541 57.773 56.287 -0.090 0.000 0.926 387 K CB -0.822 31.675 32.500 -0.006 0.000 0.713 387 K HN 0.831 nan 8.250 nan 0.000 0.444 388 A N 0.620 123.423 122.820 -0.028 0.000 1.865 388 A HA -0.147 4.160 4.320 -0.022 0.000 0.217 388 A C 2.271 179.813 177.584 -0.071 0.000 1.191 388 A CA 1.902 53.934 52.037 -0.008 0.000 0.623 388 A CB -0.792 18.140 19.000 -0.114 0.000 0.826 388 A HN 0.185 nan 8.150 nan 0.000 0.444 389 V N -0.408 119.432 119.914 -0.122 0.000 2.343 389 V HA -0.225 3.882 4.120 -0.022 0.000 0.247 389 V C 2.499 178.540 176.094 -0.089 0.000 1.051 389 V CA 2.001 64.232 62.300 -0.115 0.000 1.036 389 V CB -0.742 30.997 31.823 -0.140 0.000 0.654 389 V HN 0.575 nan 8.190 nan 0.000 0.451 390 L N -0.303 120.827 121.223 -0.155 0.000 2.093 390 L HA -0.041 4.286 4.340 -0.022 0.000 0.208 390 L C 2.301 179.168 176.870 -0.005 0.000 1.085 390 L CA 1.661 56.413 54.840 -0.146 0.000 0.755 390 L CB -0.453 41.437 42.059 -0.281 0.000 0.904 390 L HN 0.116 nan 8.230 nan 0.000 0.435 391 V N -0.434 119.491 119.914 0.019 0.000 2.427 391 V HA -0.273 3.834 4.120 -0.022 0.000 0.248 391 V C 2.558 178.721 176.094 0.116 0.000 1.051 391 V CA 1.760 64.109 62.300 0.081 0.000 1.048 391 V CB -0.547 31.338 31.823 0.103 0.000 0.666 391 V HN 0.445 nan 8.190 nan 0.000 0.456 392 K N -0.720 119.744 120.400 0.107 0.000 2.057 392 K HA -0.163 4.144 4.320 -0.022 0.000 0.207 392 K C 2.225 178.893 176.600 0.113 0.000 1.049 392 K CA 1.577 57.931 56.287 0.112 0.000 0.931 392 K CB -0.253 32.272 32.500 0.041 0.000 0.714 392 K HN 0.312 nan 8.250 nan 0.000 0.440 393 M N 1.016 120.687 119.600 0.118 0.000 2.132 393 M HA -0.136 4.331 4.480 -0.022 0.000 0.263 393 M C 1.861 178.285 176.300 0.206 0.000 1.065 393 M CA 1.603 57.005 55.300 0.170 0.000 1.122 393 M CB -0.190 32.544 32.600 0.225 0.000 1.365 393 M HN 0.158 nan 8.290 nan 0.000 0.411 394 L N -0.731 120.621 121.223 0.215 0.000 2.141 394 L HA -0.179 4.148 4.340 -0.022 0.000 0.209 394 L C 2.503 179.486 176.870 0.189 0.000 1.094 394 L CA 0.876 55.858 54.840 0.237 0.000 0.763 394 L CB -0.532 41.661 42.059 0.222 0.000 0.908 394 L HN 0.303 nan 8.230 nan 0.000 0.437 395 R N -0.256 120.340 120.500 0.161 0.000 2.115 395 R HA -0.090 4.237 4.340 -0.022 0.000 0.226 395 R C 2.291 178.692 176.300 0.169 0.000 1.100 395 R CA 0.802 57.004 56.100 0.169 0.000 0.980 395 R CB 0.037 30.423 30.300 0.144 0.000 0.875 395 R HN 0.236 nan 8.270 nan 0.000 0.445 396 K N 0.453 120.933 120.400 0.134 0.000 2.062 396 K HA -0.104 4.203 4.320 -0.022 0.000 0.205 396 K C 2.010 178.652 176.600 0.070 0.000 1.051 396 K CA 0.723 57.066 56.287 0.093 0.000 0.941 396 K CB -0.290 32.260 32.500 0.083 0.000 0.719 396 K HN 0.086 nan 8.250 nan 0.000 0.440 397 L N 0.676 121.954 121.223 0.091 0.000 2.083 397 L HA -0.187 4.140 4.340 -0.022 0.000 0.209 397 L C 2.290 179.158 176.870 -0.003 0.000 1.083 397 L CA 1.604 56.457 54.840 0.022 0.000 0.752 397 L CB -0.667 41.416 42.059 0.039 0.000 0.899 397 L HN 0.134 nan 8.230 nan 0.000 0.433 398 Y N 0.270 120.548 120.300 -0.036 0.000 2.220 398 Y HA -0.142 4.394 4.550 -0.022 0.000 0.291 398 Y C 2.365 178.253 175.900 -0.019 0.000 1.129 398 Y CA 1.664 59.740 58.100 -0.040 0.000 1.161 398 Y CB -0.075 38.379 38.460 -0.010 0.000 0.997 398 Y HN 0.267 nan 8.280 nan 0.000 0.522 399 E N 0.109 120.265 120.200 -0.073 0.000 2.204 399 E HA -0.160 4.177 4.350 -0.022 0.000 0.195 399 E C 2.184 178.691 176.600 -0.154 0.000 0.990 399 E CA 1.109 57.431 56.400 -0.130 0.000 0.821 399 E CB -0.430 29.268 29.700 -0.002 0.000 0.750 399 E HN 0.570 nan 8.360 nan 0.000 0.477 400 A N 0.665 123.414 122.820 -0.118 0.000 2.081 400 A HA -0.018 4.289 4.320 -0.022 0.000 0.214 400 A C 2.182 179.695 177.584 -0.118 0.000 1.158 400 A CA 1.501 53.480 52.037 -0.097 0.000 0.724 400 A CB -0.066 18.897 19.000 -0.061 0.000 0.826 400 A HN 0.332 nan 8.150 nan 0.000 0.463 401 T N -5.715 108.737 114.554 -0.171 0.000 2.964 401 T HA 0.142 4.479 4.350 -0.022 0.000 0.249 401 T C 0.704 175.294 174.700 -0.184 0.000 1.000 401 T CA 0.617 62.636 62.100 -0.134 0.000 0.992 401 T CB 0.134 68.935 68.868 -0.111 0.000 1.087 401 T HN 0.182 nan 8.240 nan 0.000 0.489 402 K N 1.719 121.864 120.400 -0.425 0.000 3.209 402 K HA -0.144 4.163 4.320 -0.022 0.000 0.289 402 K C -0.538 175.994 176.600 -0.113 0.000 1.191 402 K CA 0.903 56.867 56.287 -0.540 0.000 0.851 402 K CB -2.224 30.108 32.500 -0.279 0.000 1.242 402 K HN 0.643 nan 8.250 nan 0.000 0.480 403 D N 1.311 121.730 120.400 0.033 0.000 2.277 403 D HA 0.087 4.714 4.640 -0.022 0.000 0.249 403 D C 1.159 177.649 176.300 0.317 0.000 1.134 403 D CA -0.133 53.978 54.000 0.185 0.000 0.863 403 D CB 0.898 41.818 40.800 0.199 0.000 1.143 403 D HN -0.050 nan 8.370 nan 0.000 0.458 404 E N 2.694 123.045 120.200 0.251 0.000 2.160 404 E HA -0.224 4.113 4.350 -0.022 0.000 0.195 404 E C 1.362 178.059 176.600 0.161 0.000 0.991 404 E CA 0.791 57.306 56.400 0.192 0.000 0.810 404 E CB 0.147 29.932 29.700 0.141 0.000 0.742 404 E HN 0.708 nan 8.360 nan 0.000 0.466 405 E N 0.448 120.780 120.200 0.221 0.000 2.110 405 E HA -0.133 4.204 4.350 -0.022 0.000 0.193 405 E C 2.072 178.867 176.600 0.326 0.000 0.988 405 E CA 1.011 57.579 56.400 0.281 0.000 0.804 405 E CB 0.229 30.160 29.700 0.384 0.000 0.745 405 E HN 0.013 nan 8.360 nan 0.000 0.458 406 V N 1.265 121.363 119.914 0.306 0.000 2.358 406 V HA -0.240 3.867 4.120 -0.022 0.000 0.246 406 V C 2.463 178.607 176.094 0.083 0.000 1.047 406 V CA 2.065 64.535 62.300 0.283 0.000 1.035 406 V CB -0.505 31.391 31.823 0.121 0.000 0.658 406 V HN 0.254 nan 8.190 nan 0.000 0.452 407 K N -0.077 120.271 120.400 -0.087 0.000 2.097 407 K HA -0.185 4.122 4.320 -0.022 0.000 0.206 407 K C 2.387 178.704 176.600 -0.472 0.000 1.049 407 K CA 1.397 57.378 56.287 -0.511 0.000 0.933 407 K CB -0.076 32.038 32.500 -0.644 0.000 0.717 407 K HN 0.368 nan 8.250 nan 0.000 0.442 408 R N -0.208 120.204 120.500 -0.147 0.000 2.066 408 R HA -0.107 4.220 4.340 -0.022 0.000 0.232 408 R C 2.347 178.641 176.300 -0.010 0.000 1.131 408 R CA 1.555 57.634 56.100 -0.035 0.000 0.955 408 R CB -0.307 30.029 30.300 0.060 0.000 0.851 408 R HN 0.198 nan 8.270 nan 0.000 0.432 409 M N 1.067 120.664 119.600 -0.004 0.000 2.108 409 M HA -0.160 4.307 4.480 -0.022 0.000 0.261 409 M C 1.974 178.276 176.300 0.003 0.000 1.066 409 M CA 1.471 56.749 55.300 -0.037 0.000 1.107 409 M CB -0.410 32.084 32.600 -0.176 0.000 1.356 409 M HN 0.141 nan 8.290 nan 0.000 0.406 410 L N -0.428 120.768 121.223 -0.044 0.000 1.989 410 L HA -0.226 4.101 4.340 -0.022 0.000 0.211 410 L C 2.110 179.003 176.870 0.037 0.000 1.071 410 L CA 2.213 57.033 54.840 -0.034 0.000 0.749 410 L CB -1.167 40.805 42.059 -0.145 0.000 0.890 410 L HN 0.539 nan 8.230 nan 0.000 0.431 411 H N -1.644 117.437 119.070 0.019 0.000 2.387 411 H HA -0.169 4.374 4.556 -0.022 0.000 0.299 411 H C 2.072 177.423 175.328 0.039 0.000 1.090 411 H CA 1.058 57.122 56.048 0.027 0.000 1.332 411 H CB -0.034 29.747 29.762 0.032 0.000 1.386 411 H HN 0.341 nan 8.280 nan 0.000 0.516 412 L N 0.970 122.291 121.223 0.163 0.000 2.012 412 L HA -0.192 4.135 4.340 -0.022 0.000 0.210 412 L C 1.904 178.812 176.870 0.063 0.000 1.073 412 L CA 1.419 56.317 54.840 0.097 0.000 0.748 412 L CB -0.528 41.586 42.059 0.093 0.000 0.891 412 L HN 0.245 nan 8.230 nan 0.000 0.431 413 I N -0.237 120.375 120.570 0.069 0.000 2.226 413 I HA -0.254 3.903 4.170 -0.022 0.000 0.245 413 I C 2.508 178.651 176.117 0.043 0.000 1.100 413 I CA 1.283 62.611 61.300 0.047 0.000 1.374 413 I CB -1.432 36.600 38.000 0.053 0.000 1.057 413 I HN 0.416 nan 8.210 nan 0.000 0.413 414 E N 0.624 120.865 120.200 0.067 0.000 2.160 414 E HA -0.179 4.158 4.350 -0.022 0.000 0.195 414 E C 2.199 178.825 176.600 0.042 0.000 0.991 414 E CA 1.247 57.682 56.400 0.058 0.000 0.810 414 E CB -0.329 29.420 29.700 0.082 0.000 0.742 414 E HN 0.587 nan 8.360 nan 0.000 0.466 415 G N 0.663 109.490 108.800 0.046 0.000 2.712 415 G HA2 0.010 3.957 3.960 -0.022 0.000 0.212 415 G HA3 0.010 3.957 3.960 -0.022 0.000 0.212 415 G C 0.632 175.543 174.900 0.017 0.000 1.142 415 G CA -0.265 44.852 45.100 0.029 0.000 0.789 415 G HN 0.010 nan 8.290 nan 0.000 0.535 416 L N 0.944 122.177 121.223 0.016 0.000 2.525 416 L HA 0.232 4.559 4.340 -0.022 0.000 0.278 416 L C 0.261 177.147 176.870 0.027 0.000 1.218 416 L CA 0.507 55.355 54.840 0.014 0.000 0.878 416 L CB 0.419 42.480 42.059 0.004 0.000 1.127 416 L HN 0.193 nan 8.230 nan 0.000 0.492 417 E N 1.660 121.876 120.200 0.025 0.000 2.369 417 E HA 0.622 4.959 4.350 -0.022 0.000 0.270 417 E C -1.430 175.183 176.600 0.022 0.000 0.909 417 E CA -0.856 55.555 56.400 0.018 0.000 0.775 417 E CB 2.979 32.678 29.700 -0.002 0.000 1.270 417 E HN 0.206 nan 8.360 nan 0.000 0.445 418 V N 1.714 121.628 119.914 -0.000 0.000 2.540 418 V HA 0.197 4.304 4.120 -0.022 0.000 0.302 418 V C -0.229 175.820 176.094 -0.075 0.000 1.035 418 V CA -0.925 61.377 62.300 0.003 0.000 0.873 418 V CB 1.866 33.758 31.823 0.115 0.000 0.992 418 V HN 0.453 nan 8.190 nan 0.000 0.428 419 V N 5.554 125.424 119.914 -0.073 0.000 2.493 419 V HA 0.134 4.241 4.120 -0.022 0.000 0.292 419 V C 1.233 177.241 176.094 -0.143 0.000 1.016 419 V CA 0.508 62.744 62.300 -0.107 0.000 1.097 419 V CB 0.372 32.131 31.823 -0.108 0.000 0.947 419 V HN 0.926 nan 8.190 nan 0.000 0.479 420 R N 2.567 122.945 120.500 -0.202 0.000 2.140 420 R HA 0.180 4.507 4.340 -0.022 0.000 0.200 420 R C 0.158 176.158 176.300 -0.500 0.000 1.069 420 R CA 0.157 56.029 56.100 -0.380 0.000 1.088 420 R CB 0.481 30.491 30.300 -0.483 0.000 1.012 420 R HN 0.796 nan 8.270 nan 0.000 0.500 421 H N -0.446 118.595 119.070 -0.048 0.000 2.690 421 H HA 0.432 4.975 4.556 -0.022 0.000 0.368 421 H C -0.859 174.452 175.328 -0.029 0.000 1.150 421 H CA -0.577 55.450 56.048 -0.036 0.000 1.174 421 H CB 2.183 31.925 29.762 -0.033 0.000 1.684 421 H HN 0.059 nan 8.280 nan 0.000 0.538 422 I N 2.572 123.210 120.570 0.112 0.000 2.529 422 I HA 0.139 4.296 4.170 -0.022 0.000 0.284 422 I C -0.111 176.020 176.117 0.024 0.000 1.088 422 I CA -0.429 60.910 61.300 0.066 0.000 1.062 422 I CB 1.946 39.988 38.000 0.070 0.000 1.218 422 I HN 0.570 nan 8.210 nan 0.000 0.442 423 T N 0.991 115.537 114.554 -0.012 0.000 2.910 423 T HA 0.825 5.162 4.350 -0.022 0.000 0.287 423 T C -0.084 174.515 174.700 -0.169 0.000 1.050 423 T CA -0.652 61.403 62.100 -0.076 0.000 1.011 423 T CB 2.205 71.042 68.868 -0.053 0.000 1.195 423 T HN 0.519 nan 8.240 nan 0.000 0.540 424 T N -2.037 112.396 114.554 -0.202 0.000 2.888 424 T HA 0.833 5.170 4.350 -0.022 0.000 0.288 424 T C -0.411 174.213 174.700 -0.126 0.000 1.063 424 T CA -0.798 61.144 62.100 -0.264 0.000 1.010 424 T CB 1.717 70.365 68.868 -0.367 0.000 1.214 424 T HN 1.053 nan 8.240 nan 0.000 0.533 425 T N -0.813 113.683 114.554 -0.096 0.000 2.770 425 T HA 0.400 4.737 4.350 -0.022 0.000 0.323 425 T C -1.258 173.425 174.700 -0.029 0.000 1.683 425 T CA -0.727 61.347 62.100 -0.042 0.000 1.024 425 T CB 1.002 69.864 68.868 -0.010 0.000 1.557 425 T HN 0.779 nan 8.240 nan 0.000 0.494 426 N N 0.573 119.262 118.700 -0.018 0.000 2.184 426 N HA 0.147 4.874 4.740 -0.022 0.000 0.234 426 N C -0.468 175.033 175.510 -0.015 0.000 1.282 426 N CA -0.255 52.785 53.050 -0.017 0.000 0.877 426 N CB 1.074 39.554 38.487 -0.011 0.000 1.184 426 N HN 0.545 nan 8.380 nan 0.000 0.510 427 E N 1.895 122.092 120.200 -0.005 0.000 2.422 427 E HA 0.078 4.415 4.350 -0.022 0.000 0.260 427 E C -2.467 174.130 176.600 -0.004 0.000 1.108 427 E CA -1.479 54.923 56.400 0.003 0.000 0.943 427 E CB 0.191 29.901 29.700 0.017 0.000 0.961 427 E HN -0.030 nan 8.360 nan 0.000 0.443 428 P HA -0.035 nan 4.420 nan 0.000 0.257 428 P C -0.921 176.387 177.300 0.014 0.000 1.189 428 P CA 0.769 63.870 63.100 0.001 0.000 0.780 428 P CB 0.394 32.103 31.700 0.014 0.000 0.772 429 R N 2.321 122.801 120.500 -0.033 0.000 2.538 429 R HA 0.400 4.727 4.340 -0.022 0.000 0.292 429 R C -0.659 175.611 176.300 -0.049 0.000 1.008 429 R CA -0.425 55.678 56.100 0.004 0.000 0.896 429 R CB 1.537 31.828 30.300 -0.015 0.000 1.187 429 R HN 0.185 nan 8.270 nan 0.000 0.440 430 T N 4.344 118.983 114.554 0.142 0.000 2.753 430 T HA 0.487 4.824 4.350 -0.022 0.000 0.297 430 T C -0.249 174.676 174.700 0.374 0.000 0.981 430 T CA -0.208 61.959 62.100 0.112 0.000 0.956 430 T CB 0.218 69.121 68.868 0.058 0.000 0.936 430 T HN 0.109 nan 8.240 nan 0.000 0.463 431 F N 2.231 122.150 119.950 -0.052 0.000 2.450 431 F HA 0.665 5.179 4.527 -0.022 0.000 0.328 431 F C -0.081 175.663 175.800 -0.092 0.000 1.068 431 F CA -1.997 56.020 58.000 0.028 0.000 1.007 431 F CB 0.940 39.941 39.000 0.003 0.000 1.251 431 F HN 0.444 nan 8.300 nan 0.000 0.492 432 Y N -0.410 120.086 120.300 0.327 0.000 2.605 432 Y HA 0.523 5.060 4.550 -0.022 0.000 0.343 432 Y C -0.616 175.486 175.900 0.335 0.000 1.036 432 Y CA -1.136 57.160 58.100 0.325 0.000 1.065 432 Y CB 2.030 40.603 38.460 0.188 0.000 1.288 432 Y HN 0.492 nan 8.280 nan 0.000 0.481 433 D N -0.080 120.655 120.400 0.558 0.000 2.622 433 D HA 0.660 5.287 4.640 -0.022 0.000 0.255 433 D C -1.960 174.557 176.300 0.361 0.000 1.246 433 D CA -0.399 53.894 54.000 0.489 0.000 0.795 433 D CB 1.703 42.840 40.800 0.562 0.000 1.369 433 D HN 0.470 nan 8.370 nan 0.000 0.425 434 L N 0.971 122.304 121.223 0.183 0.000 2.410 434 L HA 0.518 4.845 4.340 -0.022 0.000 0.270 434 L C -0.351 176.620 176.870 0.168 0.000 0.983 434 L CA -0.843 53.988 54.840 -0.015 0.000 0.822 434 L CB 2.336 44.086 42.059 -0.517 0.000 1.285 434 L HN 0.296 nan 8.230 nan 0.000 0.409 435 T N 2.562 117.219 114.554 0.171 0.000 2.727 435 T HA 0.366 4.703 4.350 -0.022 0.000 0.298 435 T C -0.059 174.697 174.700 0.093 0.000 0.942 435 T CA -0.241 61.980 62.100 0.203 0.000 0.997 435 T CB 0.897 69.927 68.868 0.270 0.000 0.917 435 T HN 0.179 nan 8.240 nan 0.000 0.487 436 V N 4.330 124.319 119.914 0.124 0.000 2.394 436 V HA 0.269 4.376 4.120 -0.022 0.000 0.282 436 V C 0.628 176.776 176.094 0.091 0.000 1.031 436 V CA -0.961 61.412 62.300 0.122 0.000 0.881 436 V CB 1.392 33.348 31.823 0.222 0.000 0.982 436 V HN 0.825 nan 8.190 nan 0.000 0.451 437 E N 5.101 125.336 120.200 0.057 0.000 2.417 437 E HA 0.014 4.351 4.350 -0.022 0.000 0.261 437 E C 1.137 177.678 176.600 -0.098 0.000 1.000 437 E CA 1.132 57.531 56.400 -0.001 0.000 0.919 437 E CB 0.042 29.742 29.700 -0.001 0.000 0.955 437 E HN 0.839 nan 8.360 nan 0.000 0.455 438 N N 2.488 121.098 118.700 -0.151 0.000 2.157 438 N HA -0.363 4.364 4.740 -0.022 0.000 0.216 438 N C 0.754 176.088 175.510 -0.294 0.000 0.367 438 N CA 1.870 54.727 53.050 -0.321 0.000 4.226 438 N CB -1.212 36.888 38.487 -0.645 0.000 0.776 438 N HN 0.544 nan 8.380 nan 0.000 0.227 439 Y N 1.046 121.374 120.300 0.048 0.000 2.395 439 Y HA 0.158 4.695 4.550 -0.022 0.000 0.293 439 Y C 1.297 177.220 175.900 0.037 0.000 1.123 439 Y CA 1.606 59.736 58.100 0.051 0.000 1.227 439 Y CB -0.149 38.343 38.460 0.053 0.000 1.012 439 Y HN 0.262 nan 8.280 nan 0.000 0.552 440 Q N 0.891 120.763 119.800 0.121 0.000 2.475 440 Q HA -0.269 4.058 4.340 -0.022 0.000 0.280 440 Q C -0.911 174.984 176.000 -0.175 0.000 1.234 440 Q CA 0.783 56.555 55.803 -0.051 0.000 0.873 440 Q CB -2.480 26.136 28.738 -0.203 0.000 1.256 440 Q HN 0.804 nan 8.270 nan 0.000 0.475 441 N N -1.252 117.533 118.700 0.142 0.000 3.043 441 N HA 0.645 5.371 4.740 -0.022 0.000 0.243 441 N C -1.228 174.528 175.510 0.411 0.000 1.347 441 N CA -0.906 52.260 53.050 0.193 0.000 0.896 441 N CB 0.958 39.630 38.487 0.308 0.000 1.501 441 N HN 0.165 nan 8.380 nan 0.000 0.504 442 Y N -1.245 119.241 120.300 0.310 0.000 2.625 442 Y HA 0.731 5.268 4.550 -0.022 0.000 0.338 442 Y C -1.694 174.392 175.900 0.311 0.000 1.123 442 Y CA -1.559 56.731 58.100 0.317 0.000 1.046 442 Y CB 0.791 39.372 38.460 0.202 0.000 1.299 442 Y HN 0.603 nan 8.280 nan 0.000 0.464 443 L N 2.484 123.881 121.223 0.290 0.000 2.276 443 L HA 0.882 5.209 4.340 -0.022 0.000 0.286 443 L C -0.376 176.520 176.870 0.043 0.000 1.061 443 L CA 0.003 54.796 54.840 -0.078 0.000 0.807 443 L CB 0.254 42.179 42.059 -0.223 0.000 1.177 443 L HN 1.076 nan 8.230 nan 0.000 0.429 444 A N 2.937 125.728 122.820 -0.049 0.000 2.540 444 A HA 0.914 5.221 4.320 -0.022 0.000 0.291 444 A C -0.469 177.111 177.584 -0.007 0.000 1.083 444 A CA -0.050 52.010 52.037 0.038 0.000 0.650 444 A CB 0.789 19.899 19.000 0.184 0.000 1.292 444 A HN 1.454 nan 8.150 nan 0.000 0.435 445 G N -0.701 108.112 108.800 0.022 0.000 2.356 445 G HA2 0.468 4.415 3.960 -0.022 0.000 0.300 445 G HA3 0.468 4.415 3.960 -0.022 0.000 0.300 445 G C -1.810 173.134 174.900 0.073 0.000 1.331 445 G CA -0.551 44.568 45.100 0.032 0.000 0.905 445 G HN 0.754 nan 8.290 nan 0.000 0.587 446 E N 0.212 120.470 120.200 0.097 0.000 2.171 446 E HA 0.426 4.763 4.350 -0.022 0.000 0.271 446 E C 0.302 177.023 176.600 0.203 0.000 0.916 446 E CA -0.665 55.834 56.400 0.166 0.000 0.774 446 E CB 1.429 31.180 29.700 0.085 0.000 1.128 446 E HN 0.674 nan 8.360 nan 0.000 0.403 447 N N 1.803 120.698 118.700 0.325 0.000 2.721 447 N HA -0.218 4.509 4.740 -0.022 0.000 0.249 447 N C -0.793 174.706 175.510 -0.019 0.000 1.072 447 N CA 1.411 54.480 53.050 0.033 0.000 0.710 447 N CB -0.773 37.740 38.487 0.042 0.000 0.993 447 N HN 0.810 nan 8.380 nan 0.000 0.547 448 G N -2.060 106.760 108.800 0.033 0.000 2.336 448 G HA2 0.413 4.360 3.960 -0.022 0.000 0.300 448 G HA3 0.413 4.360 3.960 -0.022 0.000 0.300 448 G C -1.660 173.277 174.900 0.062 0.000 1.375 448 G CA -0.551 44.556 45.100 0.013 0.000 0.885 448 G HN 0.148 nan 8.290 nan 0.000 0.599 449 M N 0.577 120.171 119.600 -0.010 0.000 2.263 449 M HA 0.628 5.095 4.480 -0.022 0.000 0.295 449 M C -0.771 175.437 176.300 -0.154 0.000 1.028 449 M CA -0.447 54.810 55.300 -0.071 0.000 0.921 449 M CB 1.518 34.052 32.600 -0.111 0.000 1.601 449 M HN 0.506 nan 8.290 nan 0.000 0.440 450 I N 1.573 122.043 120.570 -0.166 0.000 2.769 450 I HA 0.431 4.588 4.170 -0.022 0.000 0.298 450 I C -1.103 174.893 176.117 -0.200 0.000 1.128 450 I CA -0.671 60.540 61.300 -0.149 0.000 1.031 450 I CB 2.887 40.914 38.000 0.046 0.000 1.235 450 I HN 0.439 nan 8.210 nan 0.000 0.423 451 F N 5.174 125.160 119.950 0.059 0.000 2.466 451 F HA 0.243 4.757 4.527 -0.022 0.000 0.363 451 F C 0.486 176.282 175.800 -0.007 0.000 1.109 451 F CA -0.462 57.585 58.000 0.078 0.000 1.161 451 F CB 0.640 39.779 39.000 0.231 0.000 1.117 451 F HN 0.040 nan 8.300 nan 0.000 0.539 452 V N 2.294 122.151 119.914 -0.095 0.000 2.439 452 V HA 0.425 4.532 4.120 -0.022 0.000 0.282 452 V C -0.063 175.878 176.094 -0.255 0.000 1.039 452 V CA -0.625 61.501 62.300 -0.290 0.000 0.913 452 V CB 1.168 32.774 31.823 -0.362 0.000 0.983 452 V HN 0.716 nan 8.190 nan 0.000 0.460 453 H N 4.274 123.061 119.070 -0.472 0.000 2.482 453 H HA 0.458 5.001 4.556 -0.022 0.000 0.344 453 H C 0.044 175.120 175.328 -0.420 0.000 1.151 453 H CA -0.473 55.321 56.048 -0.424 0.000 1.300 453 H CB 1.654 31.035 29.762 -0.635 0.000 1.494 453 H HN 0.867 nan 8.280 nan 0.000 0.542 454 N N 0.000 118.552 118.700 -0.247 0.000 1.763 454 N HA 0.000 4.727 4.740 -0.022 0.000 0.220 454 N CA 0.000 53.063 53.050 0.022 0.000 0.885 454 N CB 0.000 38.503 38.487 0.026 0.000 1.341 454 N HN 0.000 nan 8.380 nan 0.000 0.667