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 1yqw_1_S DATA FIRST_RESID 6 DATA SEQUENCE PTPQSTFTGP IVVDPITRIE GHLRIMVEVE NGKVKDAWSS SQLFRGLEII DATA SEQUENCE LKGRDPRDAQ HFTQRACGVC TYVHALASSR CVDDAVKVSI PANARMMRNL DATA SEQUENCE VMASQYLHDH LVHFYHLHAL DWVDVTAALK ADPNKAAKLA ASIAPARPGN DATA SEQUENCE SAKALKAVQD KLKAFVESGQ LGIFTNAYFL GGHKAYYLPP EVNLIATAHY DATA SEQUENCE LEALHMQVKA ASAMAILGGK NPHTQFTVVG GCSNYQGLTK DPLANYLALS DATA SEQUENCE KEVcQFVNEC YIPDLLAVAG FYKDWGGIGG TSNYLAFGEF ATDDSSPSKH DATA SEQUENCE LATSQFPSGV ITGRDLGKVD NVDLGAIYED VKYSWYAPGG DGKHPYDGVT DATA SEQUENCE DPKYTKLDDK DHYSWMKAPR YKGKAMEVGP LARTFIAYAK GQPDFKKVVD DATA SEQUENCE MVLGKLSVPA TALHSTLGRT AARGIETAIV cANMEKWIKE MADSGAKDNT DATA SEQUENCE LCAKWEMPEE SKGVGLADAP RGALSHWIRI KGKKIDNFQL VVPATWNLGP DATA SEQUENCE RGAQGDKSPV EEALIGTPIA DPKRPVEILR TVHAFDPCIA CGVH 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.325 177.300 0.041 0.000 1.155 6 P CA 0.000 63.107 63.100 0.011 0.000 0.800 6 P CB 0.000 31.711 31.700 0.019 0.000 0.726 7 T N 2.655 117.258 114.554 0.081 0.000 2.817 7 T HA 0.316 4.666 4.350 -0.001 0.000 0.295 7 T C -2.192 172.606 174.700 0.163 0.000 0.958 7 T CA -0.257 61.945 62.100 0.171 0.000 1.157 7 T CB -0.469 68.472 68.868 0.121 0.000 0.898 7 T HN 0.218 nan 8.240 nan 0.000 0.536 8 P HA 0.145 nan 4.420 nan 0.000 0.265 8 P C -0.451 176.951 177.300 0.171 0.000 1.193 8 P CA -0.063 63.156 63.100 0.198 0.000 0.765 8 P CB 0.398 32.264 31.700 0.276 0.000 0.823 9 Q N 1.711 121.586 119.800 0.124 0.000 2.313 9 Q HA 0.370 4.710 4.340 -0.001 0.000 0.255 9 Q C -0.614 175.441 176.000 0.093 0.000 0.944 9 Q CA -0.518 55.349 55.803 0.107 0.000 0.881 9 Q CB 1.297 30.085 28.738 0.082 0.000 1.375 9 Q HN 0.548 nan 8.270 nan 0.000 0.422 10 S N 1.513 117.273 115.700 0.101 0.000 2.625 10 S HA 0.262 4.732 4.470 -0.001 0.000 0.262 10 S C 0.862 175.525 174.600 0.106 0.000 1.223 10 S CA 0.445 58.705 58.200 0.100 0.000 0.993 10 S CB 0.885 64.154 63.200 0.114 0.000 1.051 10 S HN 0.798 nan 8.310 nan 0.000 0.562 11 T N -2.291 112.328 114.554 0.110 0.000 3.176 11 T HA 0.274 4.623 4.350 -0.001 0.000 0.263 11 T C -0.031 174.730 174.700 0.101 0.000 1.021 11 T CA -0.571 61.579 62.100 0.084 0.000 0.905 11 T CB -0.935 67.964 68.868 0.053 0.000 1.057 11 T HN 0.496 nan 8.240 nan 0.000 0.558 12 F N 3.083 123.043 119.950 0.017 0.000 2.578 12 F HA 0.398 4.925 4.527 -0.001 0.000 0.376 12 F C -0.215 175.596 175.800 0.019 0.000 1.085 12 F CA 0.467 58.477 58.000 0.016 0.000 1.260 12 F CB 0.561 39.572 39.000 0.017 0.000 1.095 12 F HN 0.013 nan 8.300 nan 0.000 0.573 13 T N 5.046 119.035 114.554 -0.941 0.000 2.881 13 T HA 0.707 5.056 4.350 -0.001 0.000 0.291 13 T C -0.176 173.887 174.700 -1.062 0.000 0.990 13 T CA -0.133 61.523 62.100 -0.741 0.000 0.976 13 T CB 1.032 69.700 68.868 -0.334 0.000 0.970 13 T HN 1.144 nan 8.240 nan 0.000 0.438 14 G N 4.233 112.607 108.800 -0.710 0.000 2.362 14 G HA2 0.349 4.309 3.960 -0.001 0.000 0.288 14 G HA3 0.349 4.309 3.960 -0.001 0.000 0.288 14 G C -3.443 171.511 174.900 0.089 0.000 1.305 14 G CA -0.936 43.977 45.100 -0.312 0.000 0.910 14 G HN 0.512 nan 8.290 nan 0.000 0.518 15 P HA 0.645 nan 4.420 nan 0.000 0.282 15 P C -0.661 176.802 177.300 0.271 0.000 1.249 15 P CA -0.266 62.954 63.100 0.200 0.000 0.806 15 P CB 1.501 33.262 31.700 0.102 0.000 0.984 16 I N 1.543 122.232 120.570 0.197 0.000 2.533 16 I HA 0.338 4.508 4.170 -0.001 0.000 0.290 16 I C -0.467 175.711 176.117 0.101 0.000 1.056 16 I CA -1.148 60.224 61.300 0.119 0.000 1.057 16 I CB 2.519 40.565 38.000 0.077 0.000 1.240 16 I HN -0.019 nan 8.210 nan 0.000 0.423 17 V N 6.678 126.639 119.914 0.078 0.000 2.448 17 V HA 0.417 4.537 4.120 -0.001 0.000 0.295 17 V C -0.302 175.844 176.094 0.087 0.000 1.025 17 V CA -0.679 61.671 62.300 0.082 0.000 0.859 17 V CB 2.181 34.045 31.823 0.069 0.000 0.988 17 V HN 0.400 nan 8.190 nan 0.000 0.431 18 V N 3.799 123.774 119.914 0.102 0.000 2.326 18 V HA 0.606 4.725 4.120 -0.001 0.000 0.281 18 V C -0.794 175.369 176.094 0.115 0.000 1.015 18 V CA -0.268 62.099 62.300 0.111 0.000 0.823 18 V CB 1.417 33.310 31.823 0.116 0.000 1.009 18 V HN 0.944 nan 8.190 nan 0.000 0.436 19 D N 5.571 126.039 120.400 0.114 0.000 2.452 19 D HA 0.425 5.065 4.640 -0.001 0.000 0.226 19 D C -2.545 173.823 176.300 0.113 0.000 1.366 19 D CA -0.669 53.406 54.000 0.124 0.000 0.986 19 D CB 2.431 43.309 40.800 0.130 0.000 1.420 19 D HN 0.427 nan 8.370 nan 0.000 0.583 20 P HA 0.439 nan 4.420 nan 0.000 0.288 20 P C -0.106 177.263 177.300 0.115 0.000 1.267 20 P CA -0.683 62.498 63.100 0.135 0.000 0.815 20 P CB 1.105 32.892 31.700 0.145 0.000 0.989 21 I N 3.064 123.706 120.570 0.120 0.000 2.494 21 I HA 0.032 4.201 4.170 -0.001 0.000 0.289 21 I C 1.353 177.545 176.117 0.125 0.000 1.106 21 I CA 0.415 61.776 61.300 0.103 0.000 1.369 21 I CB -0.128 37.929 38.000 0.095 0.000 1.410 21 I HN 0.512 nan 8.210 nan 0.000 0.523 22 T N 3.494 118.123 114.554 0.125 0.000 2.897 22 T HA 0.469 4.819 4.350 -0.001 0.000 0.278 22 T C 0.744 175.561 174.700 0.195 0.000 0.981 22 T CA -0.804 61.367 62.100 0.118 0.000 0.973 22 T CB 1.113 70.017 68.868 0.059 0.000 1.092 22 T HN 0.618 nan 8.240 nan 0.000 0.543 23 R N -0.187 120.368 120.500 0.092 0.000 3.525 23 R HA -0.137 4.203 4.340 -0.001 0.000 0.276 23 R C -0.073 176.246 176.300 0.030 0.000 1.116 23 R CA 0.875 56.975 56.100 -0.001 0.000 0.745 23 R CB -2.152 28.055 30.300 -0.154 0.000 1.185 23 R HN 0.808 nan 8.270 nan 0.000 0.454 24 I N -4.728 115.915 120.570 0.122 0.000 3.264 24 I HA 0.550 4.719 4.170 -0.001 0.000 0.315 24 I C -0.156 176.011 176.117 0.084 0.000 1.154 24 I CA -1.209 60.180 61.300 0.148 0.000 0.962 24 I CB 1.930 40.050 38.000 0.200 0.000 1.265 24 I HN -0.223 nan 8.210 nan 0.000 0.463 25 E N 1.756 122.010 120.200 0.089 0.000 2.259 25 E HA 0.541 4.891 4.350 -0.001 0.000 0.281 25 E C 0.149 176.743 176.600 -0.009 0.000 1.027 25 E CA 1.000 57.426 56.400 0.043 0.000 0.838 25 E CB 1.150 30.899 29.700 0.083 0.000 1.066 25 E HN 1.027 nan 8.360 nan 0.000 0.401 26 G N 4.104 112.812 108.800 -0.153 0.000 2.681 26 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.220 26 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.220 26 G C -0.883 173.774 174.900 -0.404 0.000 1.353 26 G CA -0.480 44.427 45.100 -0.322 0.000 0.872 26 G HN 0.713 nan 8.290 nan 0.000 0.557 27 H N -0.477 118.676 119.070 0.139 0.000 2.673 27 H HA 0.581 5.136 4.556 -0.001 0.000 0.293 27 H C -0.425 175.015 175.328 0.186 0.000 1.065 27 H CA -0.389 55.749 56.048 0.149 0.000 1.236 27 H CB 1.261 31.106 29.762 0.137 0.000 1.389 27 H HN 0.518 nan 8.280 nan 0.000 0.481 28 L N 3.066 124.434 121.223 0.242 0.000 2.365 28 L HA 0.436 4.776 4.340 -0.001 0.000 0.273 28 L C -0.296 176.699 176.870 0.208 0.000 1.000 28 L CA -0.628 54.345 54.840 0.221 0.000 0.819 28 L CB 1.885 44.046 42.059 0.169 0.000 1.284 28 L HN 0.494 nan 8.230 nan 0.000 0.418 29 R N 5.652 126.284 120.500 0.220 0.000 2.437 29 R HA 0.605 4.945 4.340 -0.001 0.000 0.310 29 R C -1.554 174.852 176.300 0.176 0.000 0.955 29 R CA -0.679 55.537 56.100 0.193 0.000 0.851 29 R CB 1.031 31.461 30.300 0.217 0.000 1.161 29 R HN 0.617 nan 8.270 nan 0.000 0.446 30 I N 5.716 126.374 120.570 0.145 0.000 2.377 30 I HA 0.317 4.486 4.170 -0.001 0.000 0.293 30 I C -0.442 175.760 176.117 0.141 0.000 0.987 30 I CA -0.915 60.469 61.300 0.140 0.000 1.185 30 I CB 1.714 39.780 38.000 0.110 0.000 1.341 30 I HN 0.695 nan 8.210 nan 0.000 0.455 31 M N 7.272 126.977 119.600 0.176 0.000 2.383 31 M HA 0.619 5.098 4.480 -0.001 0.000 0.325 31 M C -0.418 176.059 176.300 0.295 0.000 1.092 31 M CA -0.764 54.646 55.300 0.183 0.000 0.961 31 M CB 2.261 34.912 32.600 0.084 0.000 1.672 31 M HN 0.359 nan 8.290 nan 0.000 0.438 32 V N -1.487 118.576 119.914 0.248 0.000 2.925 32 V HA 0.720 4.840 4.120 -0.001 0.000 0.311 32 V C -1.053 175.196 176.094 0.257 0.000 1.104 32 V CA -0.698 61.755 62.300 0.255 0.000 0.954 32 V CB 2.302 34.221 31.823 0.160 0.000 1.022 32 V HN 0.753 nan 8.190 nan 0.000 0.427 33 E N 2.133 122.492 120.200 0.266 0.000 2.156 33 E HA 0.634 4.984 4.350 -0.001 0.000 0.279 33 E C -0.896 175.786 176.600 0.137 0.000 0.965 33 E CA -0.282 56.235 56.400 0.196 0.000 0.789 33 E CB 2.026 31.851 29.700 0.207 0.000 1.098 33 E HN 0.715 nan 8.360 nan 0.000 0.397 34 V N 2.626 122.622 119.914 0.137 0.000 2.667 34 V HA 0.447 4.567 4.120 -0.001 0.000 0.308 34 V C 0.052 176.153 176.094 0.011 0.000 1.048 34 V CA -0.713 61.662 62.300 0.125 0.000 0.928 34 V CB 1.928 33.932 31.823 0.302 0.000 1.004 34 V HN 0.550 nan 8.190 nan 0.000 0.444 35 E N 2.726 122.934 120.200 0.012 0.000 2.294 35 E HA 0.263 4.612 4.350 -0.001 0.000 0.272 35 E C -0.413 176.183 176.600 -0.006 0.000 0.896 35 E CA -0.482 55.898 56.400 -0.033 0.000 0.802 35 E CB 1.352 31.038 29.700 -0.023 0.000 1.267 35 E HN 0.843 nan 8.360 nan 0.000 0.406 36 N N 2.401 121.089 118.700 -0.020 0.000 2.725 36 N HA -0.273 4.467 4.740 -0.001 0.000 0.251 36 N C 0.593 176.134 175.510 0.052 0.000 1.031 36 N CA 0.772 53.830 53.050 0.013 0.000 0.720 36 N CB -0.632 37.858 38.487 0.005 0.000 0.930 36 N HN 1.013 nan 8.380 nan 0.000 0.543 37 G N -0.455 108.404 108.800 0.099 0.000 2.162 37 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.260 37 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.260 37 G C -0.069 174.894 174.900 0.106 0.000 0.976 37 G CA 1.020 46.200 45.100 0.133 0.000 0.655 37 G HN 0.554 nan 8.290 nan 0.000 0.533 38 K N -0.170 120.279 120.400 0.081 0.000 2.378 38 K HA 0.567 4.887 4.320 -0.001 0.000 0.252 38 K C 0.167 176.804 176.600 0.062 0.000 0.931 38 K CA -0.916 55.407 56.287 0.059 0.000 0.794 38 K CB 2.750 35.267 32.500 0.028 0.000 1.181 38 K HN 0.004 nan 8.250 nan 0.000 0.425 39 V N 4.525 124.476 119.914 0.060 0.000 2.529 39 V HA -0.015 4.105 4.120 -0.001 0.000 0.292 39 V C 0.857 176.965 176.094 0.022 0.000 1.028 39 V CA 0.518 62.853 62.300 0.058 0.000 1.074 39 V CB 0.829 32.687 31.823 0.058 0.000 0.958 39 V HN 0.706 nan 8.190 nan 0.000 0.481 40 K N 2.096 122.507 120.400 0.019 0.000 2.370 40 K HA 0.329 4.649 4.320 -0.001 0.000 0.194 40 K C 0.095 176.661 176.600 -0.056 0.000 1.070 40 K CA 0.181 56.462 56.287 -0.010 0.000 0.998 40 K CB 0.428 32.929 32.500 0.003 0.000 0.911 40 K HN 0.696 nan 8.250 nan 0.000 0.533 41 D N -1.063 119.298 120.400 -0.066 0.000 2.609 41 D HA 0.621 5.261 4.640 -0.001 0.000 0.239 41 D C -1.770 174.369 176.300 -0.269 0.000 1.229 41 D CA -0.456 53.398 54.000 -0.243 0.000 0.808 41 D CB 2.271 42.914 40.800 -0.260 0.000 1.448 41 D HN -0.012 nan 8.370 nan 0.000 0.433 42 A N 1.018 123.458 122.820 -0.634 0.000 2.574 42 A HA 0.689 5.009 4.320 -0.001 0.000 0.297 42 A C -1.822 175.373 177.584 -0.650 0.000 1.062 42 A CA -0.800 51.028 52.037 -0.348 0.000 0.686 42 A CB 1.594 20.496 19.000 -0.162 0.000 1.285 42 A HN 0.357 nan 8.150 nan 0.000 0.403 43 W N 0.929 122.136 121.300 -0.155 0.000 2.839 43 W HA 0.539 5.199 4.660 -0.001 0.000 0.334 43 W C -0.104 176.382 176.519 -0.056 0.000 1.064 43 W CA -0.547 56.647 57.345 -0.253 0.000 1.236 43 W CB 2.445 31.565 29.460 -0.568 0.000 1.405 43 W HN 0.730 nan 8.180 nan 0.000 0.478 44 S N 2.240 118.101 115.700 0.268 0.000 2.461 44 S HA 0.319 4.789 4.470 -0.001 0.000 0.322 44 S C -0.512 174.283 174.600 0.325 0.000 1.063 44 S CA -0.084 58.254 58.200 0.230 0.000 1.120 44 S CB 0.787 64.057 63.200 0.117 0.000 0.968 44 S HN 0.332 nan 8.310 nan 0.000 0.467 45 S N 4.428 120.302 115.700 0.290 0.000 2.577 45 S HA 0.452 4.922 4.470 -0.001 0.000 0.294 45 S C -0.357 174.428 174.600 0.308 0.000 1.161 45 S CA -0.611 57.772 58.200 0.305 0.000 1.143 45 S CB 0.245 63.637 63.200 0.321 0.000 0.991 45 S HN 0.700 nan 8.310 nan 0.000 0.475 46 S N 4.198 120.080 115.700 0.304 0.000 2.528 46 S HA 0.220 4.690 4.470 -0.001 0.000 0.277 46 S C 0.814 175.790 174.600 0.627 0.000 1.297 46 S CA -0.571 57.868 58.200 0.398 0.000 1.052 46 S CB 1.003 64.422 63.200 0.364 0.000 0.917 46 S HN 0.732 nan 8.310 nan 0.000 0.492 47 Q N 0.770 120.907 119.800 0.561 0.000 2.247 47 Q HA 0.303 4.643 4.340 -0.001 0.000 0.211 47 Q C -0.625 175.651 176.000 0.460 0.000 0.861 47 Q CA 0.003 56.148 55.803 0.572 0.000 0.949 47 Q CB 0.401 29.369 28.738 0.383 0.000 1.115 47 Q HN 0.567 nan 8.270 nan 0.000 0.507 48 L N -0.090 121.363 121.223 0.384 0.000 2.408 48 L HA 0.579 4.918 4.340 -0.001 0.000 0.268 48 L C -1.698 175.081 176.870 -0.151 0.000 0.986 48 L CA -0.872 54.009 54.840 0.068 0.000 0.820 48 L CB 1.776 43.913 42.059 0.131 0.000 1.303 48 L HN -0.114 nan 8.230 nan 0.000 0.411 49 F N 4.408 123.905 119.950 -0.754 0.000 2.507 49 F HA 0.611 5.138 4.527 -0.001 0.000 0.325 49 F C 0.567 176.100 175.800 -0.444 0.000 1.116 49 F CA -0.265 57.263 58.000 -0.787 0.000 0.930 49 F CB 1.782 39.767 39.000 -1.691 0.000 1.146 49 F HN 0.626 nan 8.300 nan 0.000 0.447 50 R N 2.509 122.455 120.500 -0.923 0.000 2.167 50 R HA 0.329 4.668 4.340 -0.001 0.000 0.195 50 R C 0.554 176.346 176.300 -0.846 0.000 1.027 50 R CA 0.374 56.090 56.100 -0.640 0.000 1.114 50 R CB 0.454 30.555 30.300 -0.332 0.000 1.075 50 R HN 0.943 nan 8.270 nan 0.000 0.538 51 G N 1.444 109.506 108.800 -1.229 0.000 2.207 51 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.216 51 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.216 51 G C 0.523 175.288 174.900 -0.225 0.000 1.053 51 G CA -0.064 44.562 45.100 -0.789 0.000 0.764 51 G HN 0.137 nan 8.290 nan 0.000 0.495 52 L N -0.683 120.439 121.223 -0.168 0.000 2.081 52 L HA -0.148 4.192 4.340 -0.001 0.000 0.212 52 L C 2.772 179.620 176.870 -0.036 0.000 1.080 52 L CA 2.308 57.112 54.840 -0.059 0.000 0.754 52 L CB -0.390 41.644 42.059 -0.043 0.000 0.893 52 L HN 0.507 nan 8.230 nan 0.000 0.433 53 E N 0.229 120.458 120.200 0.049 0.000 2.110 53 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 53 E C 2.236 178.876 176.600 0.066 0.000 0.988 53 E CA 1.137 57.594 56.400 0.095 0.000 0.804 53 E CB -0.069 29.740 29.700 0.183 0.000 0.745 53 E HN 0.498 nan 8.360 nan 0.000 0.458 54 I N 0.592 121.209 120.570 0.078 0.000 2.202 54 I HA -0.239 3.930 4.170 -0.001 0.000 0.242 54 I C 2.217 178.337 176.117 0.004 0.000 1.091 54 I CA 0.944 62.288 61.300 0.074 0.000 1.368 54 I CB -0.178 37.902 38.000 0.133 0.000 1.058 54 I HN 0.086 nan 8.210 nan 0.000 0.410 55 I N 0.554 121.104 120.570 -0.033 0.000 2.335 55 I HA -0.292 3.878 4.170 -0.001 0.000 0.251 55 I C 2.322 178.299 176.117 -0.233 0.000 1.129 55 I CA 1.429 62.675 61.300 -0.090 0.000 1.402 55 I CB -0.199 37.778 38.000 -0.039 0.000 1.069 55 I HN 0.214 nan 8.210 nan 0.000 0.424 56 L N 0.235 121.305 121.223 -0.255 0.000 2.291 56 L HA -0.089 4.250 4.340 -0.001 0.000 0.214 56 L C 1.311 178.063 176.870 -0.196 0.000 1.120 56 L CA 0.348 54.971 54.840 -0.362 0.000 0.799 56 L CB -0.318 41.519 42.059 -0.369 0.000 0.925 56 L HN 0.096 nan 8.230 nan 0.000 0.446 57 K N 0.465 120.813 120.400 -0.086 0.000 2.491 57 K HA 0.065 4.385 4.320 -0.001 0.000 0.279 57 K C 1.113 177.685 176.600 -0.046 0.000 1.026 57 K CA 0.941 57.212 56.287 -0.028 0.000 1.070 57 K CB 0.188 32.692 32.500 0.008 0.000 0.887 57 K HN 0.242 nan 8.250 nan 0.000 0.481 58 G N 3.211 111.997 108.800 -0.023 0.000 2.179 58 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.260 58 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.260 58 G C 0.140 175.018 174.900 -0.037 0.000 0.977 58 G CA 0.314 45.402 45.100 -0.019 0.000 0.641 58 G HN 0.634 nan 8.290 nan 0.000 0.533 59 R N 0.264 120.714 120.500 -0.083 0.000 2.541 59 R HA 0.416 4.756 4.340 -0.001 0.000 0.263 59 R C -0.175 176.098 176.300 -0.045 0.000 1.112 59 R CA -0.504 55.536 56.100 -0.100 0.000 1.170 59 R CB 0.330 30.482 30.300 -0.246 0.000 1.167 59 R HN 0.182 nan 8.270 nan 0.000 0.582 60 D N 1.231 121.623 120.400 -0.014 0.000 2.401 60 D HA 0.030 4.669 4.640 -0.001 0.000 0.254 60 D C -1.671 174.647 176.300 0.030 0.000 1.192 60 D CA -1.904 52.118 54.000 0.036 0.000 0.885 60 D CB 1.236 42.077 40.800 0.068 0.000 1.147 60 D HN 0.121 nan 8.370 nan 0.000 0.478 61 P HA -0.140 nan 4.420 nan 0.000 0.217 61 P C 1.030 178.351 177.300 0.035 0.000 1.148 61 P CA 1.202 64.336 63.100 0.056 0.000 0.828 61 P CB 0.187 31.938 31.700 0.085 0.000 0.783 62 R N -0.766 119.780 120.500 0.077 0.000 2.193 62 R HA -0.090 4.249 4.340 -0.001 0.000 0.229 62 R C 1.308 177.666 176.300 0.096 0.000 1.110 62 R CA 1.087 57.235 56.100 0.080 0.000 0.988 62 R CB -0.620 29.787 30.300 0.178 0.000 0.871 62 R HN 0.248 nan 8.270 nan 0.000 0.458 63 D N 0.495 120.964 120.400 0.115 0.000 2.323 63 D HA 0.022 4.662 4.640 -0.001 0.000 0.209 63 D C 1.682 178.071 176.300 0.149 0.000 0.973 63 D CA 0.697 54.831 54.000 0.224 0.000 0.874 63 D CB 0.042 40.987 40.800 0.242 0.000 0.930 63 D HN 0.195 nan 8.370 nan 0.000 0.521 64 A N 1.591 124.372 122.820 -0.064 0.000 1.883 64 A HA -0.295 4.025 4.320 -0.001 0.000 0.217 64 A C 2.166 179.645 177.584 -0.175 0.000 1.186 64 A CA 2.149 54.026 52.037 -0.267 0.000 0.624 64 A CB -0.845 17.869 19.000 -0.478 0.000 0.822 64 A HN 0.399 nan 8.150 nan 0.000 0.444 65 Q N -1.488 118.196 119.800 -0.194 0.000 2.234 65 Q HA -0.237 4.103 4.340 -0.001 0.000 0.206 65 Q C 1.715 177.565 176.000 -0.249 0.000 0.980 65 Q CA 1.793 57.454 55.803 -0.237 0.000 0.869 65 Q CB -0.611 27.909 28.738 -0.364 0.000 0.912 65 Q HN 0.774 nan 8.270 nan 0.000 0.436 66 H N -0.867 118.211 119.070 0.012 0.000 2.436 66 H HA 0.023 4.579 4.556 -0.000 0.000 0.294 66 H C 1.432 176.679 175.328 -0.135 0.000 1.048 66 H CA 0.984 56.996 56.048 -0.060 0.000 1.353 66 H CB -0.078 29.646 29.762 -0.062 0.000 1.414 66 H HN 0.308 nan 8.280 nan 0.000 0.536 67 F N 1.183 121.089 119.950 -0.074 0.000 2.118 67 F HA -0.143 4.384 4.527 -0.001 0.000 0.293 67 F C 2.887 178.583 175.800 -0.173 0.000 1.102 67 F CA 1.670 59.591 58.000 -0.132 0.000 1.247 67 F CB -0.658 38.240 39.000 -0.171 0.000 1.017 67 F HN 0.158 nan 8.300 nan 0.000 0.475 68 T N -2.122 112.431 114.554 -0.002 0.000 2.915 68 T HA -0.228 4.122 4.350 -0.001 0.000 0.269 68 T C 1.856 176.534 174.700 -0.037 0.000 1.071 68 T CA 1.275 63.334 62.100 -0.069 0.000 1.132 68 T CB -0.614 68.249 68.868 -0.008 0.000 0.878 68 T HN 0.358 nan 8.240 nan 0.000 0.479 69 Q N 0.649 120.437 119.800 -0.020 0.000 2.135 69 Q HA -0.125 4.215 4.340 -0.001 0.000 0.204 69 Q C 1.958 177.888 176.000 -0.118 0.000 0.981 69 Q CA 1.250 57.043 55.803 -0.016 0.000 0.856 69 Q CB -0.064 28.624 28.738 -0.083 0.000 0.902 69 Q HN 0.345 nan 8.270 nan 0.000 0.425 70 R N -0.291 120.077 120.500 -0.219 0.000 2.328 70 R HA 0.106 4.445 4.340 -0.001 0.000 0.200 70 R C 1.608 177.880 176.300 -0.046 0.000 0.983 70 R CA 0.660 56.666 56.100 -0.157 0.000 1.062 70 R CB -0.467 29.728 30.300 -0.174 0.000 0.956 70 R HN 0.331 nan 8.270 nan 0.000 0.479 71 A N -0.615 122.131 122.820 -0.123 0.000 1.986 71 A HA -0.133 4.186 4.320 -0.001 0.000 0.220 71 A C 0.835 178.424 177.584 0.009 0.000 1.171 71 A CA 1.319 53.256 52.037 -0.167 0.000 0.640 71 A CB -0.132 18.486 19.000 -0.636 0.000 0.811 71 A HN 0.415 nan 8.150 nan 0.000 0.451 72 C N -3.756 115.627 119.300 0.137 0.000 3.218 72 C HA 0.536 4.995 4.460 -0.001 0.000 0.420 72 C C 1.178 176.360 174.990 0.321 0.000 0.987 72 C CA -0.281 58.874 59.018 0.228 0.000 1.196 72 C CB 0.821 28.719 27.740 0.263 0.000 1.576 72 C HN 0.564 nan 8.230 nan 0.000 0.594 73 G N 2.581 111.512 108.800 0.217 0.000 2.986 73 G HA2 0.223 4.183 3.960 -0.001 0.000 0.213 73 G HA3 0.223 4.183 3.960 -0.001 0.000 0.213 73 G C 0.970 175.899 174.900 0.048 0.000 1.156 73 G CA 1.061 46.197 45.100 0.059 0.000 0.763 73 G HN 0.723 nan 8.290 nan 0.000 0.547 74 V N 1.297 121.282 119.914 0.119 0.000 2.283 74 V HA -0.085 4.035 4.120 -0.001 0.000 0.239 74 V C 2.324 178.520 176.094 0.169 0.000 1.035 74 V CA 1.469 63.852 62.300 0.138 0.000 1.018 74 V CB -0.596 31.310 31.823 0.138 0.000 0.658 74 V HN 0.578 nan 8.190 nan 0.000 0.459 75 C N 1.403 120.812 119.300 0.180 0.000 3.305 75 C HA 0.406 4.866 4.460 -0.001 0.000 0.566 75 C C 1.140 176.263 174.990 0.222 0.000 1.178 75 C CA -0.979 58.145 59.018 0.176 0.000 1.317 75 C CB -2.430 25.389 27.740 0.131 0.000 1.634 75 C HN 0.464 nan 8.230 nan 0.000 0.643 76 T N -0.131 114.561 114.554 0.229 0.000 2.734 76 T HA 0.187 4.537 4.350 -0.001 0.000 0.314 76 T C 0.568 175.480 174.700 0.354 0.000 1.057 76 T CA 1.573 63.856 62.100 0.305 0.000 1.047 76 T CB 0.138 69.124 68.868 0.197 0.000 0.991 76 T HN 1.427 nan 8.240 nan 0.000 0.540 77 Y N 0.994 121.427 120.300 0.221 0.000 2.802 77 Y HA -0.385 4.165 4.550 -0.001 0.000 0.485 77 Y C 1.631 177.586 175.900 0.092 0.000 1.190 77 Y CA 3.414 61.614 58.100 0.167 0.000 2.757 77 Y CB -2.156 36.410 38.460 0.176 0.000 0.919 77 Y HN 0.515 nan 8.280 nan 0.000 0.540 78 V N -0.893 118.929 119.914 -0.154 0.000 2.469 78 V HA -0.250 3.869 4.120 -0.001 0.000 0.251 78 V C 2.213 178.032 176.094 -0.458 0.000 1.064 78 V CA 2.602 64.652 62.300 -0.417 0.000 1.066 78 V CB -0.929 30.741 31.823 -0.254 0.000 0.667 78 V HN 0.704 nan 8.190 nan 0.000 0.461 79 H N 0.670 119.655 119.070 -0.143 0.000 2.470 79 H HA 0.243 4.799 4.556 -0.001 0.000 0.289 79 H C 2.498 177.734 175.328 -0.154 0.000 1.033 79 H CA 1.492 57.484 56.048 -0.093 0.000 1.331 79 H CB -0.055 29.796 29.762 0.150 0.000 1.414 79 H HN 0.606 nan 8.280 nan 0.000 0.545 80 A N 1.274 124.048 122.820 -0.076 0.000 1.930 80 A HA -0.113 4.207 4.320 -0.001 0.000 0.217 80 A C 2.456 179.863 177.584 -0.295 0.000 1.175 80 A CA 0.980 52.927 52.037 -0.150 0.000 0.627 80 A CB -0.598 18.357 19.000 -0.075 0.000 0.815 80 A HN 0.267 nan 8.150 nan 0.000 0.443 81 L N -0.239 120.676 121.223 -0.513 0.000 2.027 81 L HA -0.021 4.318 4.340 -0.001 0.000 0.206 81 L C 2.669 179.276 176.870 -0.439 0.000 1.074 81 L CA 2.209 56.723 54.840 -0.543 0.000 0.745 81 L CB -0.793 40.774 42.059 -0.821 0.000 0.898 81 L HN 0.321 nan 8.230 nan 0.000 0.433 82 A N -1.424 121.079 122.820 -0.528 0.000 1.902 82 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 82 A C 2.390 179.701 177.584 -0.454 0.000 1.181 82 A CA 2.035 53.691 52.037 -0.634 0.000 0.623 82 A CB -1.019 17.353 19.000 -1.048 0.000 0.818 82 A HN 0.527 nan 8.150 nan 0.000 0.443 83 S N 0.107 115.670 115.700 -0.228 0.000 2.368 83 S HA -0.118 4.352 4.470 -0.001 0.000 0.225 83 S C 2.306 176.884 174.600 -0.038 0.000 1.030 83 S CA 1.481 59.783 58.200 0.170 0.000 0.999 83 S CB -0.302 63.062 63.200 0.273 0.000 0.844 83 S HN 0.642 nan 8.310 nan 0.000 0.459 84 S N 1.243 116.842 115.700 -0.169 0.000 2.368 84 S HA -0.035 4.435 4.470 -0.001 0.000 0.225 84 S C 1.916 176.383 174.600 -0.222 0.000 1.030 84 S CA 0.892 58.965 58.200 -0.213 0.000 0.999 84 S CB -0.191 62.856 63.200 -0.254 0.000 0.844 84 S HN 0.405 nan 8.310 nan 0.000 0.459 85 R N 0.083 120.435 120.500 -0.247 0.000 2.091 85 R HA -0.117 4.223 4.340 -0.001 0.000 0.238 85 R C 2.736 178.894 176.300 -0.236 0.000 1.136 85 R CA 1.460 57.407 56.100 -0.256 0.000 0.959 85 R CB -0.771 29.334 30.300 -0.324 0.000 0.856 85 R HN 0.517 nan 8.270 nan 0.000 0.437 86 C N 0.036 119.207 119.300 -0.216 0.000 2.436 86 C HA -0.053 4.407 4.460 -0.001 0.000 0.277 86 C C 2.553 177.469 174.990 -0.124 0.000 1.241 86 C CA 0.710 59.615 59.018 -0.188 0.000 1.721 86 C CB -0.713 26.944 27.740 -0.139 0.000 2.043 86 C HN 0.293 nan 8.230 nan 0.000 0.472 87 V N 1.506 121.365 119.914 -0.093 0.000 2.427 87 V HA -0.136 3.984 4.120 -0.001 0.000 0.248 87 V C 2.307 178.271 176.094 -0.216 0.000 1.051 87 V CA 2.391 64.618 62.300 -0.122 0.000 1.048 87 V CB -0.828 30.917 31.823 -0.129 0.000 0.666 87 V HN 0.515 nan 8.190 nan 0.000 0.456 88 D N 0.194 120.447 120.400 -0.246 0.000 2.116 88 D HA -0.215 4.425 4.640 -0.001 0.000 0.193 88 D C 1.939 178.144 176.300 -0.160 0.000 0.998 88 D CA 1.898 55.750 54.000 -0.245 0.000 0.836 88 D CB -0.324 40.346 40.800 -0.217 0.000 0.951 88 D HN 0.512 nan 8.370 nan 0.000 0.449 89 D N 0.121 120.438 120.400 -0.139 0.000 2.097 89 D HA -0.077 4.562 4.640 -0.001 0.000 0.195 89 D C 1.937 178.202 176.300 -0.057 0.000 0.989 89 D CA 1.749 55.692 54.000 -0.095 0.000 0.827 89 D CB -0.205 40.528 40.800 -0.112 0.000 0.966 89 D HN 0.088 nan 8.370 nan 0.000 0.456 90 A N 0.046 122.833 122.820 -0.054 0.000 1.978 90 A HA -0.135 4.185 4.320 -0.001 0.000 0.220 90 A C 2.331 179.911 177.584 -0.006 0.000 1.170 90 A CA 2.170 54.196 52.037 -0.019 0.000 0.636 90 A CB -0.824 18.173 19.000 -0.005 0.000 0.810 90 A HN 0.404 nan 8.150 nan 0.000 0.448 91 V N -5.167 114.729 119.914 -0.030 0.000 3.649 91 V HA 0.184 4.304 4.120 -0.001 0.000 0.275 91 V C 0.350 176.473 176.094 0.049 0.000 1.281 91 V CA 0.481 62.803 62.300 0.036 0.000 1.143 91 V CB -0.540 31.311 31.823 0.047 0.000 0.892 91 V HN 0.413 nan 8.190 nan 0.000 0.441 92 K N -0.236 120.167 120.400 0.004 0.000 3.125 92 K HA -0.140 4.179 4.320 -0.001 0.000 0.268 92 K C -0.286 176.329 176.600 0.026 0.000 1.078 92 K CA 0.977 57.271 56.287 0.012 0.000 0.775 92 K CB -2.240 30.275 32.500 0.026 0.000 1.253 92 K HN 0.636 nan 8.250 nan 0.000 0.486 93 V N 0.548 120.463 119.914 0.002 0.000 2.483 93 V HA 0.428 4.548 4.120 -0.001 0.000 0.295 93 V C -0.080 176.002 176.094 -0.019 0.000 1.035 93 V CA -0.418 61.893 62.300 0.018 0.000 0.896 93 V CB 1.936 33.776 31.823 0.029 0.000 0.986 93 V HN 0.399 nan 8.190 nan 0.000 0.447 94 S N 7.281 122.982 115.700 0.002 0.000 2.422 94 S HA 0.494 4.963 4.470 -0.001 0.000 0.298 94 S C -0.086 174.510 174.600 -0.006 0.000 1.118 94 S CA -0.849 57.346 58.200 -0.009 0.000 1.083 94 S CB 0.188 63.390 63.200 0.004 0.000 0.971 94 S HN 0.775 nan 8.310 nan 0.000 0.478 95 I N 3.061 123.615 120.570 -0.027 0.000 2.836 95 I HA 0.450 4.619 4.170 -0.001 0.000 0.285 95 I C -2.394 173.720 176.117 -0.005 0.000 1.174 95 I CA -2.014 59.272 61.300 -0.024 0.000 1.405 95 I CB -0.217 37.751 38.000 -0.053 0.000 1.385 95 I HN 0.331 nan 8.210 nan 0.000 0.594 96 P HA 0.086 nan 4.420 nan 0.000 0.269 96 P C 0.431 177.736 177.300 0.008 0.000 1.215 96 P CA -0.085 63.025 63.100 0.017 0.000 0.780 96 P CB 0.947 32.666 31.700 0.031 0.000 0.898 97 A N 2.891 125.719 122.820 0.013 0.000 1.927 97 A HA -0.292 4.028 4.320 -0.001 0.000 0.220 97 A C 1.962 179.550 177.584 0.006 0.000 1.185 97 A CA 2.046 54.089 52.037 0.010 0.000 0.639 97 A CB -1.297 17.713 19.000 0.017 0.000 0.820 97 A HN 0.547 nan 8.150 nan 0.000 0.451 98 N N 0.121 118.829 118.700 0.013 0.000 2.166 98 N HA -0.103 4.637 4.740 -0.001 0.000 0.186 98 N C 1.808 177.316 175.510 -0.002 0.000 1.019 98 N CA 1.546 54.602 53.050 0.009 0.000 0.856 98 N CB -0.535 37.964 38.487 0.020 0.000 0.993 98 N HN 0.517 nan 8.380 nan 0.000 0.426 99 A N 0.998 123.814 122.820 -0.007 0.000 1.968 99 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 99 A C 2.245 179.826 177.584 -0.006 0.000 1.169 99 A CA 0.919 52.950 52.037 -0.010 0.000 0.638 99 A CB -0.364 18.616 19.000 -0.033 0.000 0.812 99 A HN 0.224 nan 8.150 nan 0.000 0.446 100 R N -0.538 119.952 120.500 -0.017 0.000 2.073 100 R HA -0.134 4.206 4.340 -0.001 0.000 0.234 100 R C 2.062 178.341 176.300 -0.036 0.000 1.134 100 R CA 2.007 58.091 56.100 -0.027 0.000 0.952 100 R CB -0.341 29.942 30.300 -0.028 0.000 0.850 100 R HN 0.558 nan 8.270 nan 0.000 0.433 101 M N -0.150 119.430 119.600 -0.033 0.000 2.099 101 M HA -0.168 4.312 4.480 -0.001 0.000 0.262 101 M C 2.540 178.815 176.300 -0.041 0.000 1.067 101 M CA 1.738 57.007 55.300 -0.052 0.000 1.124 101 M CB -0.263 32.324 32.600 -0.021 0.000 1.353 101 M HN 0.257 nan 8.290 nan 0.000 0.410 102 M N 0.056 119.651 119.600 -0.009 0.000 2.132 102 M HA -0.177 4.303 4.480 -0.001 0.000 0.263 102 M C 2.237 178.585 176.300 0.080 0.000 1.065 102 M CA 1.767 57.064 55.300 -0.006 0.000 1.122 102 M CB -0.074 32.545 32.600 0.032 0.000 1.365 102 M HN 0.104 nan 8.290 nan 0.000 0.411 103 R N -0.046 120.554 120.500 0.166 0.000 2.096 103 R HA -0.121 4.218 4.340 -0.001 0.000 0.235 103 R C 1.692 178.104 176.300 0.187 0.000 1.127 103 R CA 1.639 57.904 56.100 0.275 0.000 0.968 103 R CB -0.452 29.938 30.300 0.150 0.000 0.861 103 R HN 0.462 nan 8.270 nan 0.000 0.440 104 N N 0.574 119.293 118.700 0.031 0.000 2.216 104 N HA -0.070 4.670 4.740 -0.001 0.000 0.183 104 N C 1.753 177.259 175.510 -0.006 0.000 1.017 104 N CA 0.848 53.874 53.050 -0.040 0.000 0.861 104 N CB -0.114 38.266 38.487 -0.178 0.000 0.986 104 N HN 0.156 nan 8.380 nan 0.000 0.428 105 L N 0.133 121.337 121.223 -0.032 0.000 2.141 105 L HA -0.078 4.262 4.340 -0.001 0.000 0.209 105 L C 1.928 178.852 176.870 0.090 0.000 1.094 105 L CA 0.602 55.477 54.840 0.058 0.000 0.763 105 L CB -0.154 41.947 42.059 0.070 0.000 0.908 105 L HN -0.009 nan 8.230 nan 0.000 0.437 106 V N -0.745 119.143 119.914 -0.043 0.000 2.427 106 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 106 V C 2.373 178.466 176.094 -0.002 0.000 1.051 106 V CA 1.595 63.770 62.300 -0.209 0.000 1.048 106 V CB -0.329 31.092 31.823 -0.670 0.000 0.666 106 V HN 0.425 nan 8.190 nan 0.000 0.456 107 M N 1.171 120.926 119.600 0.257 0.000 2.117 107 M HA -0.093 4.387 4.480 -0.001 0.000 0.262 107 M C 2.033 178.552 176.300 0.366 0.000 1.065 107 M CA 2.207 57.742 55.300 0.391 0.000 1.114 107 M CB -0.757 31.956 32.600 0.188 0.000 1.361 107 M HN 0.249 nan 8.290 nan 0.000 0.408 108 A N -1.260 121.763 122.820 0.337 0.000 1.902 108 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 108 A C 2.270 180.010 177.584 0.260 0.000 1.181 108 A CA 2.158 54.354 52.037 0.265 0.000 0.623 108 A CB -1.170 17.945 19.000 0.191 0.000 0.818 108 A HN 0.571 nan 8.150 nan 0.000 0.443 109 S N -0.650 115.188 115.700 0.231 0.000 2.383 109 S HA -0.210 4.260 4.470 -0.001 0.000 0.229 109 S C 2.150 176.887 174.600 0.228 0.000 1.030 109 S CA 1.704 60.022 58.200 0.197 0.000 1.002 109 S CB -0.283 63.028 63.200 0.185 0.000 0.829 109 S HN 0.695 nan 8.310 nan 0.000 0.467 110 Q N 0.444 120.399 119.800 0.259 0.000 2.050 110 Q HA -0.115 4.225 4.340 -0.001 0.000 0.202 110 Q C 1.635 177.817 176.000 0.303 0.000 0.980 110 Q CA 1.704 57.681 55.803 0.291 0.000 0.840 110 Q CB -0.697 28.245 28.738 0.339 0.000 0.898 110 Q HN 0.546 nan 8.270 nan 0.000 0.424 111 Y N 0.320 120.685 120.300 0.107 0.000 2.102 111 Y HA -0.259 4.291 4.550 -0.001 0.000 0.280 111 Y C 2.069 177.948 175.900 -0.035 0.000 1.178 111 Y CA 1.586 59.645 58.100 -0.067 0.000 1.146 111 Y CB -0.459 38.058 38.460 0.095 0.000 0.968 111 Y HN 0.136 nan 8.280 nan 0.000 0.504 112 L N -1.514 119.884 121.223 0.291 0.000 2.005 112 L HA -0.261 4.079 4.340 -0.001 0.000 0.207 112 L C 2.624 179.630 176.870 0.228 0.000 1.072 112 L CA 1.825 56.819 54.840 0.256 0.000 0.744 112 L CB -0.916 41.270 42.059 0.211 0.000 0.895 112 L HN 0.366 nan 8.230 nan 0.000 0.433 113 H N 0.106 119.263 119.070 0.145 0.000 2.290 113 H HA -0.241 4.315 4.556 -0.000 0.000 0.298 113 H C 1.867 177.280 175.328 0.141 0.000 1.087 113 H CA 2.263 58.385 56.048 0.124 0.000 1.291 113 H CB 0.069 29.887 29.762 0.094 0.000 1.369 113 H HN 0.315 nan 8.280 nan 0.000 0.492 114 D N -0.353 120.129 120.400 0.137 0.000 2.097 114 D HA -0.144 4.495 4.640 -0.001 0.000 0.197 114 D C 2.113 178.519 176.300 0.177 0.000 0.984 114 D CA 0.964 55.034 54.000 0.116 0.000 0.826 114 D CB -0.225 40.633 40.800 0.096 0.000 0.973 114 D HN 0.447 nan 8.370 nan 0.000 0.460 115 H N 0.281 119.425 119.070 0.124 0.000 2.389 115 H HA 0.025 4.580 4.556 -0.000 0.000 0.299 115 H C 2.306 177.660 175.328 0.045 0.000 1.081 115 H CA 0.377 56.515 56.048 0.151 0.000 1.345 115 H CB -0.492 29.418 29.762 0.247 0.000 1.393 115 H HN 0.188 nan 8.280 nan 0.000 0.520 116 L N -0.352 120.953 121.223 0.136 0.000 1.994 116 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 116 L C 2.416 179.302 176.870 0.026 0.000 1.071 116 L CA 0.946 55.792 54.840 0.010 0.000 0.745 116 L CB -0.307 41.825 42.059 0.122 0.000 0.892 116 L HN 0.106 nan 8.230 nan 0.000 0.431 117 V N -0.884 119.031 119.914 0.001 0.000 2.407 117 V HA -0.336 3.783 4.120 -0.001 0.000 0.248 117 V C 2.455 178.585 176.094 0.060 0.000 1.055 117 V CA 1.886 64.231 62.300 0.076 0.000 1.049 117 V CB -0.911 30.913 31.823 0.001 0.000 0.662 117 V HN 0.556 nan 8.190 nan 0.000 0.455 118 H N -0.699 118.391 119.070 0.034 0.000 2.321 118 H HA -0.225 4.330 4.556 -0.001 0.000 0.300 118 H C 2.292 177.631 175.328 0.018 0.000 1.087 118 H CA 2.404 58.479 56.048 0.045 0.000 1.319 118 H CB -0.158 29.661 29.762 0.096 0.000 1.379 118 H HN 0.422 nan 8.280 nan 0.000 0.501 119 F N 0.734 120.561 119.950 -0.206 0.000 2.102 119 F HA -0.216 4.311 4.527 -0.001 0.000 0.298 119 F C 1.901 177.432 175.800 -0.448 0.000 1.105 119 F CA 1.577 59.362 58.000 -0.359 0.000 1.239 119 F CB -0.831 37.764 39.000 -0.676 0.000 0.991 119 F HN 0.102 nan 8.300 nan 0.000 0.474 120 Y N -0.837 119.196 120.300 -0.445 0.000 2.176 120 Y HA -0.115 4.435 4.550 -0.001 0.000 0.291 120 Y C 2.531 178.129 175.900 -0.504 0.000 1.122 120 Y CA 2.068 59.809 58.100 -0.598 0.000 1.128 120 Y CB -0.650 37.351 38.460 -0.765 0.000 1.005 120 Y HN 0.101 nan 8.280 nan 0.000 0.509 121 H N -1.361 117.670 119.070 -0.065 0.000 2.562 121 H HA 0.125 4.681 4.556 -0.001 0.000 0.267 121 H C 1.551 176.840 175.328 -0.065 0.000 0.959 121 H CA 0.759 56.746 56.048 -0.101 0.000 1.204 121 H CB 0.241 29.871 29.762 -0.219 0.000 1.430 121 H HN 0.235 nan 8.280 nan 0.000 0.545 122 L N -1.418 119.726 121.223 -0.131 0.000 2.467 122 L HA 0.095 4.435 4.340 -0.001 0.000 0.213 122 L C 1.958 178.563 176.870 -0.442 0.000 1.053 122 L CA 0.669 55.338 54.840 -0.284 0.000 0.847 122 L CB -0.043 41.843 42.059 -0.290 0.000 1.075 122 L HN 0.363 nan 8.230 nan 0.000 0.479 123 H N -0.210 118.507 119.070 -0.588 0.000 2.460 123 H HA 0.140 4.695 4.556 -0.001 0.000 0.297 123 H C 2.271 177.473 175.328 -0.210 0.000 1.023 123 H CA 0.693 56.487 56.048 -0.424 0.000 1.321 123 H CB 0.677 30.210 29.762 -0.381 0.000 1.455 123 H HN 0.225 nan 8.280 nan 0.000 0.539 124 A N 1.235 123.886 122.820 -0.282 0.000 1.948 124 A HA -0.165 4.155 4.320 -0.001 0.000 0.220 124 A C 2.161 179.715 177.584 -0.051 0.000 1.177 124 A CA 1.172 53.035 52.037 -0.291 0.000 0.636 124 A CB -0.827 17.923 19.000 -0.417 0.000 0.815 124 A HN 0.424 nan 8.150 nan 0.000 0.449 125 L N -0.422 120.812 121.223 0.018 0.000 2.549 125 L HA -0.116 4.224 4.340 -0.001 0.000 0.229 125 L C 1.132 178.091 176.870 0.148 0.000 1.158 125 L CA 0.575 55.494 54.840 0.132 0.000 0.842 125 L CB -0.451 41.773 42.059 0.275 0.000 0.952 125 L HN 0.268 nan 8.230 nan 0.000 0.452 126 D N -1.005 119.308 120.400 -0.144 0.000 2.317 126 D HA -0.110 4.530 4.640 -0.001 0.000 0.211 126 D C 1.488 177.151 176.300 -1.062 0.000 0.966 126 D CA 1.042 54.708 54.000 -0.555 0.000 0.876 126 D CB 0.084 40.376 40.800 -0.846 0.000 0.927 126 D HN 0.412 nan 8.370 nan 0.000 0.519 127 W N -0.260 120.757 121.300 -0.470 0.000 2.942 127 W HA 0.254 4.914 4.660 -0.001 0.000 0.260 127 W C 0.120 176.540 176.519 -0.164 0.000 1.101 127 W CA -0.168 56.808 57.345 -0.614 0.000 1.436 127 W CB 0.559 29.610 29.460 -0.682 0.000 0.883 127 W HN -0.375 nan 8.180 nan 0.000 0.646 128 V N 2.505 122.494 119.914 0.125 0.000 2.370 128 V HA 0.158 4.278 4.120 -0.001 0.000 0.283 128 V C -0.533 175.408 176.094 -0.256 0.000 1.023 128 V CA -0.569 61.728 62.300 -0.004 0.000 0.857 128 V CB 1.316 33.077 31.823 -0.103 0.000 0.985 128 V HN -0.136 nan 8.190 nan 0.000 0.443 129 D N 4.503 124.701 120.400 -0.337 0.000 2.422 129 D HA 0.176 4.816 4.640 -0.001 0.000 0.227 129 D C 0.904 176.683 176.300 -0.868 0.000 1.190 129 D CA -0.045 53.429 54.000 -0.877 0.000 0.905 129 D CB 1.671 42.230 40.800 -0.402 0.000 1.034 129 D HN 0.239 nan 8.370 nan 0.000 0.507 130 V N 3.461 122.567 119.914 -1.347 0.000 2.343 130 V HA -0.259 3.861 4.120 -0.001 0.000 0.247 130 V C 2.627 178.441 176.094 -0.466 0.000 1.051 130 V CA 2.382 64.213 62.300 -0.781 0.000 1.036 130 V CB -0.977 30.305 31.823 -0.902 0.000 0.654 130 V HN 0.733 nan 8.190 nan 0.000 0.451 131 T N -0.612 113.742 114.554 -0.333 0.000 2.833 131 T HA -0.158 4.191 4.350 -0.001 0.000 0.269 131 T C 1.858 176.483 174.700 -0.125 0.000 1.054 131 T CA 1.432 63.452 62.100 -0.132 0.000 1.135 131 T CB -0.527 68.347 68.868 0.011 0.000 0.869 131 T HN 0.488 nan 8.240 nan 0.000 0.466 132 A N 1.445 124.167 122.820 -0.163 0.000 2.121 132 A HA 0.481 4.800 4.320 -0.001 0.000 0.218 132 A C 2.686 180.201 177.584 -0.114 0.000 1.154 132 A CA 1.268 53.236 52.037 -0.115 0.000 0.679 132 A CB -1.096 17.838 19.000 -0.109 0.000 0.795 132 A HN 0.723 nan 8.150 nan 0.000 0.458 133 A N -0.018 122.711 122.820 -0.152 0.000 2.019 133 A HA -0.003 4.316 4.320 -0.001 0.000 0.219 133 A C 1.945 179.477 177.584 -0.087 0.000 1.164 133 A CA 1.253 53.214 52.037 -0.126 0.000 0.644 133 A CB -0.520 18.386 19.000 -0.156 0.000 0.805 133 A HN 0.507 nan 8.150 nan 0.000 0.449 134 L N -1.110 120.066 121.223 -0.077 0.000 2.362 134 L HA -0.092 4.248 4.340 -0.001 0.000 0.219 134 L C 2.018 178.867 176.870 -0.035 0.000 1.134 134 L CA 1.028 55.840 54.840 -0.046 0.000 0.807 134 L CB -0.299 41.740 42.059 -0.033 0.000 0.927 134 L HN 0.309 nan 8.230 nan 0.000 0.447 135 K N 0.304 120.680 120.400 -0.041 0.000 2.393 135 K HA 0.222 4.541 4.320 -0.001 0.000 0.193 135 K C 0.804 177.386 176.600 -0.029 0.000 1.026 135 K CA -0.058 56.211 56.287 -0.029 0.000 1.064 135 K CB 0.384 32.868 32.500 -0.028 0.000 0.833 135 K HN 0.173 nan 8.250 nan 0.000 0.521 136 A N 1.898 124.695 122.820 -0.038 0.000 2.351 136 A HA 0.056 4.376 4.320 -0.001 0.000 0.257 136 A C -0.367 177.202 177.584 -0.025 0.000 1.087 136 A CA -0.365 51.651 52.037 -0.035 0.000 0.798 136 A CB 0.371 19.343 19.000 -0.047 0.000 1.033 136 A HN 0.070 nan 8.150 nan 0.000 0.488 137 D N 1.969 122.358 120.400 -0.018 0.000 2.339 137 D HA 0.303 4.943 4.640 -0.001 0.000 0.241 137 D C -1.729 174.564 176.300 -0.013 0.000 1.183 137 D CA -1.863 52.130 54.000 -0.012 0.000 0.859 137 D CB 1.260 42.055 40.800 -0.007 0.000 1.067 137 D HN 0.096 nan 8.370 nan 0.000 0.484 138 P HA -0.101 nan 4.420 nan 0.000 0.216 138 P C 1.019 178.315 177.300 -0.007 0.000 1.150 138 P CA 0.766 63.859 63.100 -0.013 0.000 0.837 138 P CB 0.376 32.070 31.700 -0.010 0.000 0.786 139 N N -0.092 118.606 118.700 -0.004 0.000 2.120 139 N HA -0.169 4.570 4.740 -0.001 0.000 0.188 139 N C 1.669 177.180 175.510 0.001 0.000 1.024 139 N CA 1.232 54.282 53.050 -0.000 0.000 0.852 139 N CB -0.559 37.929 38.487 0.001 0.000 1.003 139 N HN 0.275 nan 8.380 nan 0.000 0.424 140 K N 1.032 121.432 120.400 0.000 0.000 2.097 140 K HA 0.021 4.341 4.320 -0.001 0.000 0.205 140 K C 1.965 178.568 176.600 0.004 0.000 1.050 140 K CA 1.133 57.422 56.287 0.003 0.000 0.938 140 K CB -0.060 32.442 32.500 0.002 0.000 0.718 140 K HN 0.060 nan 8.250 nan 0.000 0.442 141 A N 1.182 124.001 122.820 -0.003 0.000 1.902 141 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 141 A C 2.367 179.951 177.584 0.001 0.000 1.181 141 A CA 1.866 53.899 52.037 -0.007 0.000 0.623 141 A CB -0.865 18.121 19.000 -0.022 0.000 0.818 141 A HN 0.506 nan 8.150 nan 0.000 0.443 142 A N -0.391 122.431 122.820 0.002 0.000 1.898 142 A HA -0.138 4.181 4.320 -0.001 0.000 0.216 142 A C 2.119 179.712 177.584 0.014 0.000 1.181 142 A CA 1.739 53.782 52.037 0.010 0.000 0.620 142 A CB -0.423 18.582 19.000 0.009 0.000 0.819 142 A HN 0.521 nan 8.150 nan 0.000 0.442 143 K N -0.950 119.457 120.400 0.011 0.000 2.032 143 K HA -0.165 4.154 4.320 -0.001 0.000 0.209 143 K C 1.943 178.553 176.600 0.017 0.000 1.048 143 K CA 1.540 57.834 56.287 0.012 0.000 0.927 143 K CB -0.414 32.092 32.500 0.010 0.000 0.712 143 K HN 0.396 nan 8.250 nan 0.000 0.441 144 L N 1.045 122.281 121.223 0.021 0.000 2.046 144 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 144 L C 2.183 179.074 176.870 0.035 0.000 1.077 144 L CA 1.873 56.732 54.840 0.032 0.000 0.747 144 L CB -0.705 41.378 42.059 0.041 0.000 0.896 144 L HN 0.131 nan 8.230 nan 0.000 0.432 145 A N -0.358 122.482 122.820 0.034 0.000 1.877 145 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 145 A C 2.424 180.031 177.584 0.039 0.000 1.186 145 A CA 1.826 53.891 52.037 0.047 0.000 0.620 145 A CB -1.288 17.742 19.000 0.050 0.000 0.822 145 A HN 0.568 nan 8.150 nan 0.000 0.443 146 A N -0.175 122.662 122.820 0.027 0.000 2.131 146 A HA -0.040 4.280 4.320 -0.001 0.000 0.220 146 A C 2.234 179.825 177.584 0.011 0.000 1.158 146 A CA 2.184 54.232 52.037 0.018 0.000 0.665 146 A CB -0.608 18.400 19.000 0.014 0.000 0.795 146 A HN 1.110 nan 8.150 nan 0.000 0.460 147 S N -1.147 114.561 115.700 0.013 0.000 2.559 147 S HA 0.245 4.715 4.470 -0.001 0.000 0.226 147 S C 1.109 175.711 174.600 0.003 0.000 1.000 147 S CA 0.309 58.512 58.200 0.006 0.000 0.948 147 S CB -0.428 62.776 63.200 0.007 0.000 0.870 147 S HN 0.837 nan 8.310 nan 0.000 0.497 148 I N -2.368 118.209 120.570 0.011 0.000 4.338 148 I HA 0.765 4.935 4.170 -0.001 0.000 0.329 148 I C 0.197 176.313 176.117 -0.001 0.000 1.378 148 I CA -0.671 60.633 61.300 0.007 0.000 1.170 148 I CB 0.794 38.812 38.000 0.030 0.000 1.206 148 I HN 0.288 nan 8.210 nan 0.000 0.432 149 A N 1.101 123.922 122.820 0.002 0.000 2.606 149 A HA 0.821 5.140 4.320 -0.001 0.000 0.293 149 A C -2.933 174.643 177.584 -0.014 0.000 1.082 149 A CA -1.199 50.832 52.037 -0.010 0.000 0.685 149 A CB 0.399 19.408 19.000 0.015 0.000 1.284 149 A HN -0.033 nan 8.150 nan 0.000 0.408 150 P HA 0.372 nan 4.420 nan 0.000 0.268 150 P C 0.011 177.304 177.300 -0.011 0.000 1.208 150 P CA 0.264 63.348 63.100 -0.027 0.000 0.777 150 P CB 0.491 32.167 31.700 -0.040 0.000 0.875 151 A N 3.443 126.259 122.820 -0.007 0.000 2.546 151 A HA 0.340 4.660 4.320 -0.001 0.000 0.243 151 A C 0.519 178.107 177.584 0.006 0.000 1.063 151 A CA 0.308 52.346 52.037 0.003 0.000 0.757 151 A CB -0.452 18.548 19.000 -0.000 0.000 0.991 151 A HN 0.696 nan 8.150 nan 0.000 0.503 152 R N 2.487 122.998 120.500 0.018 0.000 2.594 152 R HA 0.414 4.753 4.340 -0.001 0.000 0.265 152 R C -2.855 173.466 176.300 0.035 0.000 1.070 152 R CA -1.312 54.803 56.100 0.025 0.000 0.909 152 R CB 0.903 31.220 30.300 0.028 0.000 1.243 152 R HN 0.361 nan 8.270 nan 0.000 0.455 153 P HA -0.096 nan 4.420 nan 0.000 0.220 153 P C 1.216 178.541 177.300 0.041 0.000 1.148 153 P CA 1.693 64.811 63.100 0.030 0.000 0.803 153 P CB 0.007 31.720 31.700 0.023 0.000 0.782 154 G N 0.085 108.921 108.800 0.060 0.000 2.509 154 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.218 154 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.218 154 G C 1.283 176.245 174.900 0.102 0.000 1.124 154 G CA 0.280 45.431 45.100 0.084 0.000 0.776 154 G HN 0.249 nan 8.290 nan 0.000 0.547 155 N N 0.336 119.093 118.700 0.096 0.000 2.270 155 N HA 0.084 4.824 4.740 -0.001 0.000 0.198 155 N C 0.995 176.531 175.510 0.045 0.000 1.117 155 N CA 0.147 53.250 53.050 0.088 0.000 0.845 155 N CB 0.556 39.108 38.487 0.109 0.000 0.980 155 N HN 0.331 nan 8.380 nan 0.000 0.486 156 S N -0.439 115.282 115.700 0.035 0.000 2.579 156 S HA 0.373 4.843 4.470 -0.001 0.000 0.275 156 S C 1.675 176.284 174.600 0.014 0.000 1.345 156 S CA -0.160 58.053 58.200 0.022 0.000 1.031 156 S CB 1.493 64.705 63.200 0.019 0.000 0.892 156 S HN 0.217 nan 8.310 nan 0.000 0.529 157 A N 2.872 125.697 122.820 0.010 0.000 1.915 157 A HA -0.239 4.080 4.320 -0.001 0.000 0.220 157 A C 2.194 179.780 177.584 0.004 0.000 1.198 157 A CA 2.179 54.219 52.037 0.005 0.000 0.647 157 A CB -1.122 17.880 19.000 0.004 0.000 0.825 157 A HN 0.955 nan 8.150 nan 0.000 0.456 158 K N -0.460 119.944 120.400 0.006 0.000 2.009 158 K HA -0.154 4.166 4.320 -0.001 0.000 0.210 158 K C 2.227 178.830 176.600 0.006 0.000 1.049 158 K CA 1.578 57.868 56.287 0.006 0.000 0.929 158 K CB -0.425 32.080 32.500 0.007 0.000 0.714 158 K HN 0.398 nan 8.250 nan 0.000 0.440 159 A N 1.443 124.269 122.820 0.009 0.000 1.902 159 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 159 A C 2.235 179.821 177.584 0.004 0.000 1.181 159 A CA 1.281 53.324 52.037 0.010 0.000 0.623 159 A CB -0.528 18.485 19.000 0.021 0.000 0.818 159 A HN 0.343 nan 8.150 nan 0.000 0.443 160 L N -0.916 120.307 121.223 0.000 0.000 2.156 160 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 160 L C 2.547 179.408 176.870 -0.014 0.000 1.095 160 L CA 1.614 56.445 54.840 -0.014 0.000 0.770 160 L CB -0.385 41.661 42.059 -0.022 0.000 0.914 160 L HN 0.437 nan 8.230 nan 0.000 0.439 161 K N 0.705 121.100 120.400 -0.007 0.000 2.057 161 K HA -0.136 4.183 4.320 -0.001 0.000 0.206 161 K C 2.183 178.783 176.600 -0.001 0.000 1.050 161 K CA 1.220 57.504 56.287 -0.005 0.000 0.935 161 K CB -0.052 32.448 32.500 -0.001 0.000 0.715 161 K HN 0.241 nan 8.250 nan 0.000 0.439 162 A N 0.502 123.323 122.820 0.001 0.000 1.969 162 A HA -0.082 4.238 4.320 -0.001 0.000 0.218 162 A C 2.159 179.745 177.584 0.004 0.000 1.169 162 A CA 1.346 53.386 52.037 0.004 0.000 0.635 162 A CB -0.447 18.555 19.000 0.004 0.000 0.810 162 A HN 0.169 nan 8.150 nan 0.000 0.445 163 V N -0.264 119.648 119.914 -0.003 0.000 2.307 163 V HA -0.301 3.819 4.120 -0.001 0.000 0.245 163 V C 2.691 178.779 176.094 -0.009 0.000 1.045 163 V CA 2.270 64.566 62.300 -0.006 0.000 1.024 163 V CB -0.768 31.046 31.823 -0.015 0.000 0.651 163 V HN 0.750 nan 8.190 nan 0.000 0.449 164 Q N -0.305 119.487 119.800 -0.014 0.000 2.061 164 Q HA -0.258 4.082 4.340 -0.001 0.000 0.204 164 Q C 2.005 178.008 176.000 0.004 0.000 0.984 164 Q CA 2.146 57.940 55.803 -0.015 0.000 0.846 164 Q CB -0.114 28.613 28.738 -0.019 0.000 0.902 164 Q HN 0.645 nan 8.270 nan 0.000 0.421 165 D N 0.224 120.631 120.400 0.010 0.000 2.097 165 D HA -0.173 4.467 4.640 -0.001 0.000 0.195 165 D C 1.672 177.996 176.300 0.039 0.000 0.989 165 D CA 1.157 55.170 54.000 0.022 0.000 0.827 165 D CB -0.192 40.619 40.800 0.019 0.000 0.966 165 D HN 0.227 nan 8.370 nan 0.000 0.456 166 K N 0.252 120.674 120.400 0.038 0.000 2.020 166 K HA -0.167 4.153 4.320 -0.001 0.000 0.212 166 K C 2.257 178.910 176.600 0.088 0.000 1.050 166 K CA 0.829 57.150 56.287 0.057 0.000 0.929 166 K CB -0.345 32.177 32.500 0.037 0.000 0.714 166 K HN -0.015 nan 8.250 nan 0.000 0.443 167 L N 1.636 122.895 121.223 0.059 0.000 2.079 167 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 167 L C 2.349 179.299 176.870 0.134 0.000 1.081 167 L CA 1.713 56.601 54.840 0.079 0.000 0.752 167 L CB -0.249 41.811 42.059 0.002 0.000 0.896 167 L HN 0.146 nan 8.230 nan 0.000 0.433 168 K N -1.089 119.360 120.400 0.082 0.000 2.026 168 K HA -0.180 4.139 4.320 -0.001 0.000 0.208 168 K C 2.028 178.682 176.600 0.091 0.000 1.048 168 K CA 1.323 57.652 56.287 0.070 0.000 0.929 168 K CB -0.234 32.289 32.500 0.039 0.000 0.713 168 K HN 0.445 nan 8.250 nan 0.000 0.439 169 A N 0.537 123.418 122.820 0.102 0.000 1.972 169 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 169 A C 1.933 179.593 177.584 0.127 0.000 1.169 169 A CA 1.156 53.250 52.037 0.095 0.000 0.635 169 A CB -0.641 18.413 19.000 0.090 0.000 0.810 169 A HN 0.424 nan 8.150 nan 0.000 0.446 170 F N 0.729 120.705 119.950 0.045 0.000 2.051 170 F HA -0.155 4.372 4.527 -0.001 0.000 0.296 170 F C 2.264 178.103 175.800 0.066 0.000 1.122 170 F CA 2.193 60.233 58.000 0.066 0.000 1.201 170 F CB -0.322 38.739 39.000 0.101 0.000 0.978 170 F HN 0.021 nan 8.300 nan 0.000 0.472 171 V N 0.292 120.327 119.914 0.201 0.000 2.594 171 V HA -0.271 3.848 4.120 -0.001 0.000 0.253 171 V C 2.032 178.121 176.094 -0.008 0.000 1.069 171 V CA 2.127 64.476 62.300 0.082 0.000 1.082 171 V CB -0.810 31.081 31.823 0.114 0.000 0.680 171 V HN 0.379 nan 8.190 nan 0.000 0.469 172 E N 0.662 120.864 120.200 0.002 0.000 2.274 172 E HA -0.130 4.220 4.350 -0.001 0.000 0.194 172 E C 2.323 178.895 176.600 -0.047 0.000 0.996 172 E CA 1.133 57.524 56.400 -0.014 0.000 0.840 172 E CB -0.140 29.563 29.700 0.005 0.000 0.772 172 E HN 0.783 nan 8.360 nan 0.000 0.491 173 S N -0.556 115.087 115.700 -0.094 0.000 2.419 173 S HA -0.083 4.386 4.470 -0.001 0.000 0.233 173 S C 1.869 176.400 174.600 -0.116 0.000 1.016 173 S CA 1.041 59.169 58.200 -0.120 0.000 0.974 173 S CB -0.142 62.935 63.200 -0.204 0.000 0.786 173 S HN 0.411 nan 8.310 nan 0.000 0.492 174 G N 0.647 109.373 108.800 -0.123 0.000 2.284 174 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.230 174 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.230 174 G C 0.012 174.836 174.900 -0.127 0.000 1.021 174 G CA 0.103 45.146 45.100 -0.096 0.000 0.619 174 G HN 0.630 nan 8.290 nan 0.000 0.510 175 Q N 0.920 120.596 119.800 -0.205 0.000 2.441 175 Q HA 0.610 4.950 4.340 -0.001 0.000 0.234 175 Q C 1.353 177.124 176.000 -0.383 0.000 1.078 175 Q CA -0.468 55.200 55.803 -0.225 0.000 0.907 175 Q CB 0.881 29.502 28.738 -0.196 0.000 1.269 175 Q HN 0.481 nan 8.270 nan 0.000 0.502 176 L N 1.273 122.398 121.223 -0.164 0.000 2.395 176 L HA -0.026 4.314 4.340 -0.001 0.000 0.218 176 L C 1.361 178.372 176.870 0.235 0.000 1.130 176 L CA 0.699 55.553 54.840 0.023 0.000 0.826 176 L CB -0.723 41.421 42.059 0.142 0.000 0.941 176 L HN 0.978 nan 8.230 nan 0.000 0.451 177 G N 2.218 111.075 108.800 0.096 0.000 2.596 177 G HA2 -0.428 3.532 3.960 -0.001 0.000 0.304 177 G HA3 -0.428 3.532 3.960 -0.001 0.000 0.304 177 G C 0.854 175.780 174.900 0.044 0.000 1.189 177 G CA 0.554 45.731 45.100 0.129 0.000 0.986 177 G HN 0.447 nan 8.290 nan 0.000 0.548 178 I N -1.918 118.596 120.570 -0.093 0.000 2.850 178 I HA 0.200 4.370 4.170 -0.001 0.000 0.266 178 I C 2.039 178.025 176.117 -0.218 0.000 1.257 178 I CA 1.760 62.917 61.300 -0.239 0.000 1.465 178 I CB -0.373 37.398 38.000 -0.381 0.000 1.091 178 I HN 0.180 nan 8.210 nan 0.000 0.467 179 F N 1.462 121.481 119.950 0.115 0.000 2.695 179 F HA 0.225 4.752 4.527 -0.000 0.000 0.303 179 F C 1.184 176.963 175.800 -0.036 0.000 1.091 179 F CA -0.553 57.478 58.000 0.052 0.000 1.300 179 F CB -0.825 38.274 39.000 0.165 0.000 1.071 179 F HN -0.135 nan 8.300 nan 0.000 0.578 180 T N 2.792 117.424 114.554 0.130 0.000 2.866 180 T HA -0.064 4.285 4.350 -0.001 0.000 0.293 180 T C 0.587 175.289 174.700 0.003 0.000 1.005 180 T CA 0.327 62.459 62.100 0.053 0.000 1.162 180 T CB -0.171 68.716 68.868 0.031 0.000 0.968 180 T HN 0.272 nan 8.240 nan 0.000 0.530 181 N N -0.483 118.208 118.700 -0.015 0.000 2.741 181 N HA -0.167 4.573 4.740 -0.001 0.000 0.250 181 N C 0.193 175.661 175.510 -0.070 0.000 1.115 181 N CA 0.843 53.881 53.050 -0.019 0.000 0.724 181 N CB -1.688 36.810 38.487 0.019 0.000 1.090 181 N HN 0.950 nan 8.380 nan 0.000 0.558 182 A N -0.334 122.352 122.820 -0.223 0.000 2.520 182 A HA 0.169 4.489 4.320 -0.001 0.000 0.235 182 A C 1.151 178.510 177.584 -0.375 0.000 1.065 182 A CA 0.060 51.794 52.037 -0.504 0.000 0.764 182 A CB 0.128 18.438 19.000 -1.149 0.000 1.002 182 A HN 0.227 nan 8.150 nan 0.000 0.502 183 Y N 1.491 121.575 120.300 -0.361 0.000 2.403 183 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 183 Y C 1.728 177.551 175.900 -0.128 0.000 1.143 183 Y CA 1.763 59.801 58.100 -0.103 0.000 1.257 183 Y CB -0.879 37.624 38.460 0.072 0.000 0.984 183 Y HN 0.820 nan 8.280 nan 0.000 0.550 184 F N -1.712 118.149 119.950 -0.149 0.000 2.789 184 F HA 0.247 4.774 4.527 -0.001 0.000 0.300 184 F C 0.435 176.104 175.800 -0.219 0.000 1.132 184 F CA -0.827 56.866 58.000 -0.511 0.000 1.404 184 F CB -1.263 37.104 39.000 -1.054 0.000 1.114 184 F HN -0.301 nan 8.300 nan 0.000 0.584 185 L N 2.312 123.429 121.223 -0.176 0.000 2.559 185 L HA 0.259 4.599 4.340 -0.001 0.000 0.274 185 L C 1.467 178.338 176.870 0.002 0.000 1.205 185 L CA 0.843 55.652 54.840 -0.053 0.000 0.907 185 L CB -0.169 41.827 42.059 -0.105 0.000 1.153 185 L HN 0.644 nan 8.230 nan 0.000 0.490 186 G N 2.156 110.969 108.800 0.022 0.000 2.148 186 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.254 186 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.254 186 G C 0.565 175.482 174.900 0.028 0.000 0.981 186 G CA 0.191 45.301 45.100 0.017 0.000 0.670 186 G HN 1.502 nan 8.290 nan 0.000 0.528 187 G N -1.359 107.469 108.800 0.047 0.000 2.705 187 G HA2 0.367 4.327 3.960 -0.001 0.000 0.686 187 G HA3 0.367 4.327 3.960 -0.001 0.000 0.686 187 G C -0.841 174.139 174.900 0.134 0.000 1.285 187 G CA 0.388 45.533 45.100 0.076 0.000 0.800 187 G HN 2.001 nan 8.290 nan 0.000 0.611 188 H N 1.529 120.657 119.070 0.096 0.000 3.083 188 H HA 0.305 4.861 4.556 -0.001 0.000 0.339 188 H C 1.272 176.758 175.328 0.263 0.000 1.020 188 H CA -0.475 55.680 56.048 0.178 0.000 1.360 188 H CB 1.299 31.213 29.762 0.254 0.000 1.811 188 H HN 0.595 nan 8.280 nan 0.000 0.493 189 K N 2.607 123.202 120.400 0.325 0.000 2.144 189 K HA -0.174 4.146 4.320 -0.001 0.000 0.209 189 K C 1.624 178.544 176.600 0.534 0.000 1.047 189 K CA 2.005 58.500 56.287 0.348 0.000 0.927 189 K CB 0.136 32.766 32.500 0.216 0.000 0.716 189 K HN 0.505 nan 8.250 nan 0.000 0.454 190 A N -0.189 123.040 122.820 0.682 0.000 2.238 190 A HA 0.000 4.320 4.320 -0.001 0.000 0.208 190 A C -0.182 177.429 177.584 0.045 0.000 1.177 190 A CA 0.233 52.498 52.037 0.380 0.000 0.804 190 A CB -0.055 19.074 19.000 0.215 0.000 0.823 190 A HN 0.172 nan 8.150 nan 0.000 0.482 191 Y N -0.335 120.073 120.300 0.180 0.000 2.454 191 Y HA 0.361 4.910 4.550 -0.001 0.000 0.345 191 Y C 0.444 176.488 175.900 0.241 0.000 0.970 191 Y CA -0.453 57.728 58.100 0.135 0.000 1.204 191 Y CB 0.556 39.081 38.460 0.108 0.000 1.122 191 Y HN 0.303 nan 8.280 nan 0.000 0.514 192 Y N 1.038 121.416 120.300 0.130 0.000 2.497 192 Y HA 0.179 4.729 4.550 -0.000 0.000 0.265 192 Y C 0.758 176.533 175.900 -0.208 0.000 1.111 192 Y CA -0.684 57.351 58.100 -0.109 0.000 1.288 192 Y CB -0.282 37.943 38.460 -0.392 0.000 1.082 192 Y HN 0.346 nan 8.280 nan 0.000 0.536 193 L N 3.038 124.221 121.223 -0.067 0.000 2.456 193 L HA 0.123 4.463 4.340 -0.001 0.000 0.272 193 L C -2.016 174.677 176.870 -0.295 0.000 1.189 193 L CA -1.689 52.931 54.840 -0.366 0.000 0.846 193 L CB 0.054 41.985 42.059 -0.213 0.000 1.111 193 L HN -0.124 nan 8.230 nan 0.000 0.475 194 P HA 0.080 nan 4.420 nan 0.000 0.268 194 P C -2.053 175.156 177.300 -0.151 0.000 1.205 194 P CA -1.085 61.892 63.100 -0.204 0.000 0.771 194 P CB 0.172 31.775 31.700 -0.163 0.000 0.858 195 P HA -0.221 nan 4.420 nan 0.000 0.217 195 P C 1.026 178.275 177.300 -0.085 0.000 1.151 195 P CA 1.579 64.628 63.100 -0.085 0.000 0.849 195 P CB 0.037 31.703 31.700 -0.058 0.000 0.787 196 E N -1.073 119.086 120.200 -0.068 0.000 2.150 196 E HA -0.094 4.256 4.350 -0.001 0.000 0.193 196 E C 1.930 178.494 176.600 -0.060 0.000 0.985 196 E CA 0.769 57.138 56.400 -0.052 0.000 0.814 196 E CB -1.050 28.636 29.700 -0.024 0.000 0.752 196 E HN 0.076 nan 8.360 nan 0.000 0.466 197 V N 1.602 121.467 119.914 -0.082 0.000 2.453 197 V HA -0.191 3.928 4.120 -0.001 0.000 0.247 197 V C 1.675 177.718 176.094 -0.085 0.000 1.048 197 V CA 1.356 63.611 62.300 -0.074 0.000 1.049 197 V CB -0.476 31.271 31.823 -0.128 0.000 0.672 197 V HN 0.287 nan 8.190 nan 0.000 0.457 198 N N 0.398 119.029 118.700 -0.114 0.000 2.120 198 N HA -0.156 4.584 4.740 -0.001 0.000 0.188 198 N C 1.746 177.178 175.510 -0.131 0.000 1.024 198 N CA 1.393 54.364 53.050 -0.131 0.000 0.852 198 N CB -0.379 38.009 38.487 -0.165 0.000 1.003 198 N HN 0.387 nan 8.380 nan 0.000 0.424 199 L N 1.364 122.517 121.223 -0.116 0.000 2.027 199 L HA 0.003 4.342 4.340 -0.001 0.000 0.206 199 L C 2.037 178.827 176.870 -0.133 0.000 1.074 199 L CA 1.172 55.945 54.840 -0.111 0.000 0.745 199 L CB -0.541 41.467 42.059 -0.086 0.000 0.898 199 L HN 0.051 nan 8.230 nan 0.000 0.433 200 I N -0.337 120.147 120.570 -0.143 0.000 2.127 200 I HA -0.336 3.834 4.170 -0.001 0.000 0.241 200 I C 2.628 178.524 176.117 -0.368 0.000 1.075 200 I CA 1.431 62.573 61.300 -0.263 0.000 1.334 200 I CB -0.723 37.181 38.000 -0.159 0.000 1.040 200 I HN 0.365 nan 8.210 nan 0.000 0.405 201 A N 0.136 122.887 122.820 -0.115 0.000 1.883 201 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 201 A C 2.393 180.036 177.584 0.098 0.000 1.186 201 A CA 2.627 54.710 52.037 0.075 0.000 0.624 201 A CB -1.242 17.813 19.000 0.091 0.000 0.822 201 A HN 0.413 nan 8.150 nan 0.000 0.444 202 T N 0.297 114.837 114.554 -0.023 0.000 2.720 202 T HA -0.072 4.278 4.350 -0.001 0.000 0.268 202 T C 2.207 176.937 174.700 0.049 0.000 1.037 202 T CA 1.748 63.829 62.100 -0.032 0.000 1.144 202 T CB -0.504 68.277 68.868 -0.145 0.000 0.864 202 T HN 0.629 nan 8.240 nan 0.000 0.444 203 A N 1.006 123.806 122.820 -0.034 0.000 1.940 203 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 203 A C 1.913 179.572 177.584 0.124 0.000 1.176 203 A CA 1.783 53.819 52.037 -0.001 0.000 0.631 203 A CB -0.893 18.059 19.000 -0.079 0.000 0.814 203 A HN 0.739 nan 8.150 nan 0.000 0.446 204 H N -3.620 115.512 119.070 0.104 0.000 2.428 204 H HA -0.089 4.467 4.556 -0.001 0.000 0.296 204 H C 1.971 177.200 175.328 -0.164 0.000 1.062 204 H CA 1.151 57.223 56.048 0.041 0.000 1.350 204 H CB -0.149 29.651 29.762 0.063 0.000 1.403 204 H HN 0.662 nan 8.280 nan 0.000 0.533 205 Y N 1.901 122.189 120.300 -0.021 0.000 2.081 205 Y HA -0.298 4.251 4.550 -0.000 0.000 0.280 205 Y C 2.083 178.047 175.900 0.107 0.000 1.163 205 Y CA 1.559 59.669 58.100 0.016 0.000 1.135 205 Y CB -0.505 38.048 38.460 0.155 0.000 0.970 205 Y HN 0.063 nan 8.280 nan 0.000 0.498 206 L N -0.116 121.311 121.223 0.339 0.000 2.056 206 L HA -0.188 4.151 4.340 -0.001 0.000 0.207 206 L C 2.456 179.340 176.870 0.025 0.000 1.078 206 L CA 1.677 56.632 54.840 0.192 0.000 0.749 206 L CB -0.657 41.488 42.059 0.143 0.000 0.901 206 L HN 0.255 nan 8.230 nan 0.000 0.433 207 E N 0.356 120.551 120.200 -0.009 0.000 2.097 207 E HA -0.267 4.083 4.350 -0.001 0.000 0.196 207 E C 2.277 178.694 176.600 -0.304 0.000 1.000 207 E CA 1.318 57.639 56.400 -0.133 0.000 0.804 207 E CB -0.198 29.532 29.700 0.049 0.000 0.740 207 E HN 0.521 nan 8.360 nan 0.000 0.454 208 A N 1.145 123.795 122.820 -0.283 0.000 1.972 208 A HA -0.136 4.183 4.320 -0.001 0.000 0.219 208 A C 2.183 179.731 177.584 -0.061 0.000 1.169 208 A CA 0.860 52.691 52.037 -0.344 0.000 0.635 208 A CB -0.564 18.220 19.000 -0.360 0.000 0.810 208 A HN 0.137 nan 8.150 nan 0.000 0.446 209 L N -1.395 119.830 121.223 0.003 0.000 2.127 209 L HA -0.235 4.105 4.340 -0.001 0.000 0.211 209 L C 2.559 179.397 176.870 -0.054 0.000 1.089 209 L CA 1.482 56.236 54.840 -0.142 0.000 0.757 209 L CB -0.655 41.303 42.059 -0.168 0.000 0.899 209 L HN 0.546 nan 8.230 nan 0.000 0.434 210 H N -1.766 117.197 119.070 -0.178 0.000 2.384 210 H HA -0.091 4.465 4.556 -0.000 0.000 0.300 210 H C 2.193 177.411 175.328 -0.182 0.000 1.057 210 H CA 1.133 57.087 56.048 -0.157 0.000 1.370 210 H CB 0.259 29.936 29.762 -0.142 0.000 1.417 210 H HN 0.203 nan 8.280 nan 0.000 0.527 211 M N 1.851 121.347 119.600 -0.175 0.000 2.213 211 M HA -0.169 4.311 4.480 -0.001 0.000 0.263 211 M C 2.287 178.519 176.300 -0.113 0.000 1.062 211 M CA 1.526 56.667 55.300 -0.266 0.000 1.105 211 M CB -0.104 32.075 32.600 -0.702 0.000 1.385 211 M HN 0.224 nan 8.290 nan 0.000 0.417 212 Q N -1.250 118.511 119.800 -0.064 0.000 2.226 212 Q HA -0.066 4.274 4.340 -0.001 0.000 0.204 212 Q C 1.591 177.686 176.000 0.157 0.000 0.975 212 Q CA 1.992 57.838 55.803 0.072 0.000 0.866 212 Q CB -1.450 27.284 28.738 -0.007 0.000 0.915 212 Q HN 0.385 nan 8.270 nan 0.000 0.440 213 V N 1.084 121.014 119.914 0.026 0.000 2.295 213 V HA -0.266 3.853 4.120 -0.001 0.000 0.246 213 V C 2.241 178.333 176.094 -0.004 0.000 1.049 213 V CA 2.246 64.539 62.300 -0.011 0.000 1.024 213 V CB -0.576 31.199 31.823 -0.081 0.000 0.648 213 V HN 0.394 nan 8.190 nan 0.000 0.447 214 K N 0.135 120.529 120.400 -0.010 0.000 2.057 214 K HA -0.119 4.200 4.320 -0.001 0.000 0.207 214 K C 2.326 178.936 176.600 0.017 0.000 1.049 214 K CA 1.431 57.713 56.287 -0.008 0.000 0.931 214 K CB -0.432 32.054 32.500 -0.025 0.000 0.714 214 K HN 0.471 nan 8.250 nan 0.000 0.440 215 A N 1.414 124.270 122.820 0.062 0.000 1.940 215 A HA -0.144 4.176 4.320 -0.001 0.000 0.219 215 A C 2.320 179.950 177.584 0.077 0.000 1.176 215 A CA 1.949 54.051 52.037 0.109 0.000 0.631 215 A CB -0.604 18.527 19.000 0.219 0.000 0.814 215 A HN 0.352 nan 8.150 nan 0.000 0.446 216 A N -1.062 121.776 122.820 0.030 0.000 1.968 216 A HA 0.043 4.362 4.320 -0.001 0.000 0.217 216 A C 2.392 179.938 177.584 -0.063 0.000 1.169 216 A CA 1.712 53.675 52.037 -0.123 0.000 0.638 216 A CB -0.648 18.211 19.000 -0.235 0.000 0.812 216 A HN 0.419 nan 8.150 nan 0.000 0.446 217 S N -0.062 115.621 115.700 -0.027 0.000 2.368 217 S HA -0.045 4.424 4.470 -0.001 0.000 0.225 217 S C 2.330 176.942 174.600 0.020 0.000 1.030 217 S CA 1.154 59.345 58.200 -0.015 0.000 0.999 217 S CB -0.410 62.783 63.200 -0.011 0.000 0.844 217 S HN 0.777 nan 8.310 nan 0.000 0.459 218 A N 1.546 124.392 122.820 0.045 0.000 1.865 218 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 218 A C 2.142 179.866 177.584 0.233 0.000 1.191 218 A CA 1.877 53.995 52.037 0.134 0.000 0.623 218 A CB -0.720 18.276 19.000 -0.007 0.000 0.826 218 A HN 0.527 nan 8.150 nan 0.000 0.444 219 M N -0.379 119.285 119.600 0.107 0.000 2.149 219 M HA -0.171 4.309 4.480 -0.001 0.000 0.261 219 M C 2.132 178.363 176.300 -0.115 0.000 1.064 219 M CA 1.798 57.108 55.300 0.017 0.000 1.102 219 M CB -0.200 32.379 32.600 -0.036 0.000 1.369 219 M HN 0.423 nan 8.290 nan 0.000 0.408 220 A N 0.091 122.859 122.820 -0.086 0.000 2.066 220 A HA -0.047 4.273 4.320 -0.001 0.000 0.218 220 A C 1.898 179.401 177.584 -0.135 0.000 1.157 220 A CA 0.952 52.920 52.037 -0.115 0.000 0.670 220 A CB -0.901 18.055 19.000 -0.073 0.000 0.804 220 A HN 0.618 nan 8.150 nan 0.000 0.453 221 I N -0.483 120.025 120.570 -0.104 0.000 2.208 221 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 221 I C 2.189 178.151 176.117 -0.259 0.000 1.097 221 I CA 1.355 62.580 61.300 -0.124 0.000 1.363 221 I CB -0.196 37.783 38.000 -0.035 0.000 1.051 221 I HN 0.316 nan 8.210 nan 0.000 0.413 222 L N -0.518 120.448 121.223 -0.429 0.000 2.249 222 L HA 0.096 4.436 4.340 -0.001 0.000 0.207 222 L C 2.441 178.808 176.870 -0.839 0.000 1.090 222 L CA 0.923 55.394 54.840 -0.615 0.000 0.802 222 L CB -0.693 40.897 42.059 -0.781 0.000 0.947 222 L HN 0.231 nan 8.230 nan 0.000 0.453 223 G N -1.222 107.141 108.800 -0.728 0.000 2.683 223 G HA2 0.277 4.237 3.960 -0.001 0.000 0.213 223 G HA3 0.277 4.237 3.960 -0.001 0.000 0.213 223 G C 1.327 176.117 174.900 -0.182 0.000 1.142 223 G CA 0.700 45.371 45.100 -0.715 0.000 0.793 223 G HN 0.480 nan 8.290 nan 0.000 0.534 224 G N 0.031 108.744 108.800 -0.144 0.000 2.420 224 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.221 224 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.221 224 G C 0.342 175.230 174.900 -0.019 0.000 1.117 224 G CA 0.838 45.920 45.100 -0.029 0.000 0.657 224 G HN 1.298 nan 8.290 nan 0.000 0.512 225 K N -0.684 119.707 120.400 -0.015 0.000 2.685 225 K HA 0.569 4.889 4.320 -0.001 0.000 0.290 225 K C -2.072 174.518 176.600 -0.016 0.000 1.018 225 K CA -0.828 55.451 56.287 -0.013 0.000 0.860 225 K CB 1.332 33.839 32.500 0.013 0.000 1.498 225 K HN 0.384 nan 8.250 nan 0.000 0.390 226 N N 1.678 120.352 118.700 -0.043 0.000 2.397 226 N HA 0.425 5.165 4.740 -0.001 0.000 0.291 226 N C -2.820 172.635 175.510 -0.092 0.000 1.065 226 N CA -0.968 52.039 53.050 -0.071 0.000 0.884 226 N CB 1.961 40.370 38.487 -0.129 0.000 1.551 226 N HN 0.588 nan 8.380 nan 0.000 0.487 227 P HA 0.392 nan 4.420 nan 0.000 0.274 227 P C -1.168 176.112 177.300 -0.034 0.000 1.246 227 P CA 0.374 63.386 63.100 -0.147 0.000 0.795 227 P CB 0.268 31.777 31.700 -0.319 0.000 1.006 228 H N -1.803 117.312 119.070 0.076 0.000 3.286 228 H HA -0.094 4.462 4.556 -0.001 0.000 0.358 228 H C 0.135 175.538 175.328 0.125 0.000 1.143 228 H CA 0.279 56.391 56.048 0.107 0.000 1.147 228 H CB -2.200 27.607 29.762 0.075 0.000 1.568 228 H HN 0.609 nan 8.280 nan 0.000 0.401 229 T N -1.161 113.576 114.554 0.306 0.000 2.734 229 T HA 0.308 4.658 4.350 -0.001 0.000 0.314 229 T C 0.736 175.623 174.700 0.311 0.000 1.057 229 T CA -0.246 62.028 62.100 0.291 0.000 1.047 229 T CB 1.899 70.991 68.868 0.374 0.000 0.991 229 T HN 0.583 nan 8.240 nan 0.000 0.540 230 Q N 0.729 120.725 119.800 0.328 0.000 3.712 230 Q HA 0.379 4.719 4.340 -0.001 0.000 0.242 230 Q C -0.786 175.385 176.000 0.285 0.000 0.837 230 Q CA -0.515 55.440 55.803 0.253 0.000 0.826 230 Q CB 0.155 28.989 28.738 0.160 0.000 1.529 230 Q HN 0.858 nan 8.270 nan 0.000 0.405 231 F N -2.199 117.784 119.950 0.054 0.000 2.974 231 F HA 0.371 4.898 4.527 -0.001 0.000 0.357 231 F C 0.053 175.856 175.800 0.004 0.000 1.114 231 F CA -0.317 57.685 58.000 0.003 0.000 1.099 231 F CB 0.440 39.409 39.000 -0.052 0.000 1.205 231 F HN 0.006 nan 8.300 nan 0.000 0.535 232 T N 1.665 115.826 114.554 -0.655 0.000 2.875 232 T HA 0.717 5.067 4.350 -0.001 0.000 0.284 232 T C -0.266 174.288 174.700 -0.244 0.000 0.995 232 T CA -0.124 61.626 62.100 -0.583 0.000 1.060 232 T CB 2.037 70.541 68.868 -0.605 0.000 0.967 232 T HN 0.609 nan 8.240 nan 0.000 0.476 233 V N -0.699 119.101 119.914 -0.190 0.000 3.160 233 V HA 0.740 4.860 4.120 -0.001 0.000 0.310 233 V C -0.149 175.852 176.094 -0.155 0.000 1.181 233 V CA -1.413 60.831 62.300 -0.093 0.000 1.047 233 V CB 1.445 33.275 31.823 0.011 0.000 1.068 233 V HN 0.791 nan 8.190 nan 0.000 0.441 234 V N 2.280 122.085 119.914 -0.183 0.000 2.599 234 V HA 0.488 4.607 4.120 -0.001 0.000 0.300 234 V C 1.677 177.548 176.094 -0.372 0.000 1.034 234 V CA 1.774 63.796 62.300 -0.463 0.000 1.115 234 V CB -0.132 31.098 31.823 -0.987 0.000 0.934 234 V HN 1.990 nan 8.190 nan 0.000 0.485 235 G N 2.869 111.458 108.800 -0.351 0.000 2.194 235 G HA2 0.099 4.059 3.960 -0.001 0.000 0.236 235 G HA3 0.099 4.059 3.960 -0.001 0.000 0.236 235 G C 0.685 175.550 174.900 -0.059 0.000 0.987 235 G CA 0.110 45.135 45.100 -0.125 0.000 0.635 235 G HN 1.949 nan 8.290 nan 0.000 0.520 236 G N -1.856 106.883 108.800 -0.102 0.000 2.374 236 G HA2 0.411 4.371 3.960 -0.001 0.000 0.067 236 G HA3 0.411 4.371 3.960 -0.001 0.000 0.067 236 G C -0.452 174.368 174.900 -0.133 0.000 1.023 236 G CA 0.561 45.605 45.100 -0.093 0.000 1.131 236 G HN 1.403 nan 8.290 nan 0.000 0.436 237 C N -0.211 119.018 119.300 -0.118 0.000 3.154 237 C HA 0.769 5.229 4.460 -0.001 0.000 0.312 237 C C 1.576 176.469 174.990 -0.160 0.000 1.349 237 C CA 0.338 59.276 59.018 -0.134 0.000 1.518 237 C CB 1.481 29.208 27.740 -0.023 0.000 1.934 237 C HN 1.245 nan 8.230 nan 0.000 0.462 238 S N -0.243 115.393 115.700 -0.106 0.000 2.505 238 S HA 0.022 4.492 4.470 -0.001 0.000 0.216 238 S C 0.354 174.835 174.600 -0.199 0.000 1.018 238 S CA 0.390 58.518 58.200 -0.121 0.000 0.911 238 S CB -0.352 62.859 63.200 0.019 0.000 0.818 238 S HN 0.723 nan 8.310 nan 0.000 0.497 239 N N 1.262 119.881 118.700 -0.134 0.000 3.124 239 N HA 0.236 4.975 4.740 -0.001 0.000 0.284 239 N C -0.117 175.322 175.510 -0.119 0.000 1.209 239 N CA -0.569 52.442 53.050 -0.064 0.000 1.149 239 N CB -0.650 37.836 38.487 -0.002 0.000 1.434 239 N HN 0.310 nan 8.380 nan 0.000 0.529 240 Y N 0.386 120.706 120.300 0.033 0.000 2.256 240 Y HA -0.197 4.352 4.550 -0.000 0.000 0.288 240 Y C 2.366 178.266 175.900 0.001 0.000 1.155 240 Y CA 1.257 59.368 58.100 0.018 0.000 1.203 240 Y CB -0.131 38.341 38.460 0.020 0.000 0.980 240 Y HN 0.522 nan 8.280 nan 0.000 0.530 241 Q N 0.062 119.940 119.800 0.129 0.000 2.170 241 Q HA -0.137 4.203 4.340 -0.001 0.000 0.203 241 Q C 2.330 178.334 176.000 0.006 0.000 0.976 241 Q CA 1.362 57.202 55.803 0.060 0.000 0.858 241 Q CB -0.521 28.239 28.738 0.037 0.000 0.907 241 Q HN 0.532 nan 8.270 nan 0.000 0.433 242 G N 0.365 109.143 108.800 -0.037 0.000 2.586 242 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.215 242 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.215 242 G C 1.048 175.899 174.900 -0.082 0.000 1.128 242 G CA 0.277 45.312 45.100 -0.108 0.000 0.774 242 G HN 0.330 nan 8.290 nan 0.000 0.543 243 L N 1.011 122.224 121.223 -0.017 0.000 2.640 243 L HA 0.193 4.533 4.340 -0.001 0.000 0.230 243 L C 1.445 178.328 176.870 0.021 0.000 1.123 243 L CA 0.087 54.931 54.840 0.007 0.000 0.900 243 L CB 0.011 42.099 42.059 0.047 0.000 1.146 243 L HN 0.188 nan 8.230 nan 0.000 0.484 244 T N -4.206 110.359 114.554 0.018 0.000 2.912 244 T HA 0.177 4.527 4.350 -0.001 0.000 0.280 244 T C 0.935 175.647 174.700 0.019 0.000 0.989 244 T CA -0.676 61.438 62.100 0.024 0.000 0.995 244 T CB 2.281 71.165 68.868 0.027 0.000 1.077 244 T HN -0.028 nan 8.240 nan 0.000 0.531 245 K N 0.222 120.635 120.400 0.022 0.000 1.985 245 K HA -0.161 4.158 4.320 -0.001 0.000 0.210 245 K C 1.506 178.121 176.600 0.025 0.000 1.047 245 K CA 1.872 58.173 56.287 0.023 0.000 0.932 245 K CB -0.337 32.176 32.500 0.021 0.000 0.716 245 K HN 0.620 nan 8.250 nan 0.000 0.439 246 D N 0.108 120.520 120.400 0.020 0.000 2.097 246 D HA -0.088 4.552 4.640 -0.001 0.000 0.195 246 D C -0.831 175.484 176.300 0.025 0.000 0.989 246 D CA 1.144 55.156 54.000 0.020 0.000 0.827 246 D CB -1.477 39.332 40.800 0.015 0.000 0.966 246 D HN 0.258 nan 8.370 nan 0.000 0.456 247 P HA -0.085 nan 4.420 nan 0.000 0.215 247 P C 1.733 179.059 177.300 0.043 0.000 1.153 247 P CA 0.831 63.940 63.100 0.014 0.000 0.853 247 P CB -0.012 31.678 31.700 -0.016 0.000 0.788 248 L N -1.427 119.821 121.223 0.042 0.000 2.156 248 L HA -0.074 4.266 4.340 -0.001 0.000 0.208 248 L C 2.463 179.406 176.870 0.122 0.000 1.095 248 L CA 1.156 56.053 54.840 0.094 0.000 0.770 248 L CB -1.028 41.069 42.059 0.063 0.000 0.914 248 L HN -0.061 nan 8.230 nan 0.000 0.439 249 A N 0.374 123.237 122.820 0.071 0.000 1.908 249 A HA -0.267 4.053 4.320 -0.001 0.000 0.218 249 A C 2.074 179.691 177.584 0.054 0.000 1.181 249 A CA 2.213 54.281 52.037 0.053 0.000 0.627 249 A CB -0.648 18.372 19.000 0.033 0.000 0.818 249 A HN 0.434 nan 8.150 nan 0.000 0.445 250 N N -1.566 117.171 118.700 0.062 0.000 2.188 250 N HA -0.169 4.571 4.740 -0.001 0.000 0.184 250 N C 1.551 177.112 175.510 0.084 0.000 1.018 250 N CA 1.660 54.744 53.050 0.057 0.000 0.858 250 N CB -0.494 38.022 38.487 0.048 0.000 0.989 250 N HN 0.534 nan 8.380 nan 0.000 0.426 251 Y N 0.664 120.953 120.300 -0.018 0.000 2.145 251 Y HA -0.134 4.416 4.550 -0.000 0.000 0.286 251 Y C 2.147 178.042 175.900 -0.008 0.000 1.145 251 Y CA 1.344 59.432 58.100 -0.021 0.000 1.148 251 Y CB -0.785 37.657 38.460 -0.030 0.000 0.981 251 Y HN 0.126 nan 8.280 nan 0.000 0.507 252 L N 0.701 121.918 121.223 -0.010 0.000 2.012 252 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 252 L C 2.449 179.263 176.870 -0.093 0.000 1.073 252 L CA 2.293 57.080 54.840 -0.088 0.000 0.748 252 L CB -1.445 40.614 42.059 -0.001 0.000 0.891 252 L HN 0.279 nan 8.230 nan 0.000 0.431 253 A N -0.638 122.156 122.820 -0.043 0.000 1.877 253 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 253 A C 2.280 179.835 177.584 -0.050 0.000 1.186 253 A CA 2.051 54.066 52.037 -0.035 0.000 0.620 253 A CB -0.912 18.081 19.000 -0.012 0.000 0.822 253 A HN 0.511 nan 8.150 nan 0.000 0.443 254 L N -0.501 120.685 121.223 -0.061 0.000 2.056 254 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 254 L C 2.838 179.653 176.870 -0.091 0.000 1.078 254 L CA 1.477 56.281 54.840 -0.061 0.000 0.749 254 L CB -0.420 41.612 42.059 -0.046 0.000 0.901 254 L HN 0.324 nan 8.230 nan 0.000 0.433 255 S N -0.363 115.230 115.700 -0.178 0.000 2.399 255 S HA -0.161 4.309 4.470 -0.001 0.000 0.231 255 S C 1.917 176.457 174.600 -0.099 0.000 1.022 255 S CA 1.150 59.238 58.200 -0.186 0.000 0.983 255 S CB -0.096 62.894 63.200 -0.350 0.000 0.803 255 S HN 0.348 nan 8.310 nan 0.000 0.480 256 K N 1.014 121.362 120.400 -0.087 0.000 2.097 256 K HA -0.026 4.293 4.320 -0.001 0.000 0.205 256 K C 2.195 178.784 176.600 -0.018 0.000 1.050 256 K CA 0.917 57.173 56.287 -0.052 0.000 0.938 256 K CB -0.068 32.403 32.500 -0.048 0.000 0.718 256 K HN 0.380 nan 8.250 nan 0.000 0.442 257 E N 0.400 120.591 120.200 -0.014 0.000 2.051 257 E HA -0.164 4.185 4.350 -0.001 0.000 0.192 257 E C 2.018 178.647 176.600 0.048 0.000 0.991 257 E CA 1.131 57.538 56.400 0.012 0.000 0.799 257 E CB 0.107 29.805 29.700 -0.004 0.000 0.748 257 E HN 0.027 nan 8.360 nan 0.000 0.449 258 V N 0.612 120.547 119.914 0.035 0.000 2.287 258 V HA -0.326 3.794 4.120 -0.001 0.000 0.248 258 V C 2.424 178.602 176.094 0.140 0.000 1.053 258 V CA 1.579 63.930 62.300 0.085 0.000 1.027 258 V CB -0.411 31.446 31.823 0.057 0.000 0.646 258 V HN 0.472 nan 8.190 nan 0.000 0.447 259 c N -0.848 117.793 118.600 0.069 0.000 2.435 259 c HA -0.150 4.420 4.570 -0.001 0.000 0.279 259 c C 2.805 176.923 174.090 0.047 0.000 1.321 259 c CA 1.183 57.543 56.329 0.051 0.000 1.752 259 c CB -0.926 41.578 42.510 -0.009 0.000 1.959 259 c HN 0.656 nan 8.230 nan 0.000 0.500 260 Q N -0.204 119.625 119.800 0.049 0.000 2.061 260 Q HA -0.256 4.084 4.340 -0.001 0.000 0.204 260 Q C 2.025 178.066 176.000 0.068 0.000 0.984 260 Q CA 1.877 57.703 55.803 0.039 0.000 0.846 260 Q CB -0.339 28.423 28.738 0.040 0.000 0.902 260 Q HN 0.669 nan 8.270 nan 0.000 0.421 261 F N 0.097 120.037 119.950 -0.017 0.000 2.171 261 F HA -0.193 4.334 4.527 -0.000 0.000 0.300 261 F C 1.915 177.733 175.800 0.030 0.000 1.090 261 F CA 1.128 59.118 58.000 -0.017 0.000 1.293 261 F CB -0.233 38.760 39.000 -0.013 0.000 1.013 261 F HN -0.088 nan 8.300 nan 0.000 0.486 262 V N 0.817 120.808 119.914 0.128 0.000 2.287 262 V HA -0.341 3.779 4.120 -0.001 0.000 0.248 262 V C 2.128 178.175 176.094 -0.077 0.000 1.053 262 V CA 2.311 64.672 62.300 0.100 0.000 1.027 262 V CB -0.711 31.202 31.823 0.149 0.000 0.646 262 V HN 0.388 nan 8.190 nan 0.000 0.447 263 N N -0.517 118.129 118.700 -0.089 0.000 2.354 263 N HA -0.080 4.659 4.740 -0.001 0.000 0.179 263 N C 1.804 177.224 175.510 -0.151 0.000 1.021 263 N CA 0.899 53.872 53.050 -0.129 0.000 0.887 263 N CB 0.017 38.443 38.487 -0.101 0.000 0.974 263 N HN 0.604 nan 8.380 nan 0.000 0.437 264 E N -0.372 119.725 120.200 -0.172 0.000 2.122 264 E HA 0.037 4.387 4.350 -0.001 0.000 0.190 264 E C 1.315 177.735 176.600 -0.299 0.000 0.977 264 E CA 0.655 56.941 56.400 -0.190 0.000 0.820 264 E CB 0.337 29.949 29.700 -0.147 0.000 0.770 264 E HN 0.307 nan 8.360 nan 0.000 0.462 265 C N -0.780 118.211 119.300 -0.516 0.000 2.370 265 C HA 0.093 4.553 4.460 -0.001 0.000 0.348 265 C C 2.262 177.116 174.990 -0.228 0.000 1.477 265 C CA -0.488 58.132 59.018 -0.664 0.000 2.302 265 C CB -0.895 25.956 27.740 -1.482 0.000 2.220 265 C HN 0.436 nan 8.230 nan 0.000 0.625 266 Y N 2.958 123.038 120.300 -0.366 0.000 2.030 266 Y HA -0.160 4.390 4.550 -0.001 0.000 0.274 266 Y C 2.216 177.895 175.900 -0.369 0.000 1.153 266 Y CA 1.560 59.524 58.100 -0.228 0.000 1.115 266 Y CB -0.934 37.446 38.460 -0.133 0.000 0.969 266 Y HN 0.155 nan 8.280 nan 0.000 0.488 267 I N 0.788 121.139 120.570 -0.364 0.000 2.179 267 I HA -0.204 3.966 4.170 -0.001 0.000 0.242 267 I C -0.378 175.572 176.117 -0.277 0.000 1.088 267 I CA 1.389 62.415 61.300 -0.456 0.000 1.357 267 I CB -2.792 34.977 38.000 -0.385 0.000 1.051 267 I HN 0.174 nan 8.210 nan 0.000 0.409 268 P HA -0.110 nan 4.420 nan 0.000 0.217 268 P C 1.189 178.482 177.300 -0.012 0.000 1.150 268 P CA 1.369 64.420 63.100 -0.082 0.000 0.832 268 P CB 0.049 31.720 31.700 -0.049 0.000 0.787 269 D N -0.956 119.472 120.400 0.047 0.000 2.117 269 D HA -0.122 4.517 4.640 -0.001 0.000 0.198 269 D C 1.841 178.187 176.300 0.076 0.000 0.982 269 D CA 0.875 54.978 54.000 0.172 0.000 0.828 269 D CB -0.822 40.226 40.800 0.413 0.000 0.967 269 D HN 0.038 nan 8.370 nan 0.000 0.464 270 L N 0.599 121.708 121.223 -0.190 0.000 2.017 270 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 270 L C 2.107 178.861 176.870 -0.193 0.000 1.073 270 L CA 1.429 56.065 54.840 -0.339 0.000 0.745 270 L CB -0.604 41.051 42.059 -0.673 0.000 0.894 270 L HN 0.007 nan 8.230 nan 0.000 0.432 271 L N -0.597 120.522 121.223 -0.173 0.000 2.083 271 L HA -0.169 4.171 4.340 -0.001 0.000 0.209 271 L C 2.689 179.532 176.870 -0.045 0.000 1.083 271 L CA 1.104 55.870 54.840 -0.123 0.000 0.752 271 L CB -0.993 40.990 42.059 -0.127 0.000 0.899 271 L HN 0.399 nan 8.230 nan 0.000 0.433 272 A N -0.192 122.641 122.820 0.022 0.000 1.858 272 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 272 A C 2.362 180.101 177.584 0.258 0.000 1.190 272 A CA 1.919 54.040 52.037 0.140 0.000 0.617 272 A CB -0.920 18.194 19.000 0.190 0.000 0.827 272 A HN 0.158 nan 8.150 nan 0.000 0.443 273 V N -0.105 119.918 119.914 0.181 0.000 2.287 273 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 273 V C 3.087 179.286 176.094 0.176 0.000 1.053 273 V CA 2.089 64.506 62.300 0.196 0.000 1.027 273 V CB -1.232 30.561 31.823 -0.049 0.000 0.646 273 V HN 0.635 nan 8.190 nan 0.000 0.447 274 A N 0.299 123.106 122.820 -0.022 0.000 1.978 274 A HA -0.138 4.181 4.320 -0.001 0.000 0.220 274 A C 2.394 180.007 177.584 0.048 0.000 1.170 274 A CA 1.991 54.006 52.037 -0.038 0.000 0.636 274 A CB -1.197 17.735 19.000 -0.113 0.000 0.810 274 A HN 0.564 nan 8.150 nan 0.000 0.448 275 G N -1.389 107.415 108.800 0.006 0.000 2.418 275 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.217 275 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.217 275 G C 1.301 176.111 174.900 -0.149 0.000 1.158 275 G CA 1.134 46.163 45.100 -0.117 0.000 0.771 275 G HN 0.473 nan 8.290 nan 0.000 0.545 276 F N -1.083 118.892 119.950 0.041 0.000 2.416 276 F HA 0.256 4.783 4.527 -0.001 0.000 0.296 276 F C 0.998 176.809 175.800 0.018 0.000 1.099 276 F CA 0.227 58.216 58.000 -0.019 0.000 1.427 276 F CB 0.108 39.049 39.000 -0.099 0.000 1.079 276 F HN 0.061 nan 8.300 nan 0.000 0.536 277 Y N 0.263 120.799 120.300 0.395 0.000 2.839 277 Y HA 0.214 4.764 4.550 -0.000 0.000 0.361 277 Y C 1.314 177.434 175.900 0.366 0.000 1.008 277 Y CA -0.715 57.665 58.100 0.467 0.000 1.534 277 Y CB -0.515 38.113 38.460 0.280 0.000 1.395 277 Y HN -0.075 nan 8.280 nan 0.000 0.534 278 K N 0.178 120.780 120.400 0.336 0.000 2.152 278 K HA -0.199 4.121 4.320 -0.001 0.000 0.206 278 K C 1.440 178.192 176.600 0.254 0.000 1.048 278 K CA 1.734 58.151 56.287 0.217 0.000 0.933 278 K CB -0.064 32.497 32.500 0.102 0.000 0.721 278 K HN 0.542 nan 8.250 nan 0.000 0.447 279 D N 0.117 120.705 120.400 0.314 0.000 2.221 279 D HA -0.208 4.432 4.640 -0.001 0.000 0.204 279 D C 1.219 177.628 176.300 0.183 0.000 0.982 279 D CA 0.935 55.070 54.000 0.224 0.000 0.857 279 D CB -0.674 40.262 40.800 0.228 0.000 0.934 279 D HN 0.299 nan 8.370 nan 0.000 0.475 280 W N 1.333 122.793 121.300 0.266 0.000 3.077 280 W HA 0.345 5.004 4.660 -0.001 0.000 0.245 280 W C 2.324 178.943 176.519 0.167 0.000 1.316 280 W CA 0.605 58.097 57.345 0.245 0.000 1.537 280 W CB -0.082 29.584 29.460 0.344 0.000 1.131 280 W HN 0.112 nan 8.180 nan 0.000 0.695 281 G N -0.385 108.577 108.800 0.269 0.000 2.848 281 G HA2 0.068 4.027 3.960 -0.001 0.000 0.208 281 G HA3 0.068 4.027 3.960 -0.001 0.000 0.208 281 G C 1.368 176.344 174.900 0.127 0.000 1.152 281 G CA 0.726 45.928 45.100 0.170 0.000 0.789 281 G HN 0.326 nan 8.290 nan 0.000 0.531 282 G N -0.179 108.674 108.800 0.088 0.000 3.596 282 G HA2 0.458 4.418 3.960 -0.001 0.000 0.274 282 G HA3 0.458 4.418 3.960 -0.001 0.000 0.274 282 G C -0.017 174.874 174.900 -0.014 0.000 1.007 282 G CA -0.322 44.802 45.100 0.040 0.000 0.825 282 G HN 0.297 nan 8.290 nan 0.000 0.508 283 I N -0.151 120.401 120.570 -0.031 0.000 2.569 283 I HA 0.568 4.738 4.170 -0.001 0.000 0.296 283 I C 0.991 177.160 176.117 0.086 0.000 1.028 283 I CA -0.436 60.801 61.300 -0.105 0.000 1.082 283 I CB 2.213 39.895 38.000 -0.529 0.000 1.264 283 I HN 0.138 nan 8.210 nan 0.000 0.429 284 G N 3.611 112.475 108.800 0.107 0.000 2.132 284 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.228 284 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.228 284 G C 0.273 175.305 174.900 0.220 0.000 1.000 284 G CA -0.189 45.037 45.100 0.210 0.000 0.693 284 G HN 1.057 nan 8.290 nan 0.000 0.515 285 G N -0.468 108.438 108.800 0.177 0.000 2.448 285 G HA2 0.817 4.777 3.960 -0.001 0.000 0.285 285 G HA3 0.817 4.777 3.960 -0.001 0.000 0.285 285 G C 0.353 175.353 174.900 0.166 0.000 1.176 285 G CA 0.872 46.093 45.100 0.202 0.000 0.852 285 G HN 1.331 nan 8.290 nan 0.000 0.530 286 T N -2.434 112.226 114.554 0.177 0.000 2.724 286 T HA 0.654 5.004 4.350 -0.001 0.000 0.274 286 T C 0.684 175.332 174.700 -0.086 0.000 0.984 286 T CA -0.186 61.943 62.100 0.048 0.000 1.024 286 T CB 1.763 70.669 68.868 0.064 0.000 1.320 286 T HN 0.277 nan 8.240 nan 0.000 0.555 287 S N 0.035 115.585 115.700 -0.249 0.000 2.628 287 S HA 0.326 4.796 4.470 -0.001 0.000 0.246 287 S C -0.142 174.173 174.600 -0.475 0.000 1.062 287 S CA -0.436 57.573 58.200 -0.318 0.000 1.028 287 S CB 0.096 63.176 63.200 -0.199 0.000 0.985 287 S HN 0.712 nan 8.310 nan 0.000 0.551 288 N N 1.080 119.419 118.700 -0.602 0.000 2.284 288 N HA 0.522 5.262 4.740 -0.001 0.000 0.300 288 N C -1.608 173.478 175.510 -0.706 0.000 1.047 288 N CA -0.248 52.507 53.050 -0.491 0.000 0.821 288 N CB 1.302 39.658 38.487 -0.219 0.000 1.337 288 N HN 0.161 nan 8.380 nan 0.000 0.482 289 Y N 0.399 120.657 120.300 -0.069 0.000 2.442 289 Y HA 0.576 5.125 4.550 -0.001 0.000 0.344 289 Y C -0.481 175.296 175.900 -0.205 0.000 0.976 289 Y CA -1.164 56.883 58.100 -0.089 0.000 1.040 289 Y CB 2.137 40.596 38.460 -0.001 0.000 1.228 289 Y HN 0.346 nan 8.280 nan 0.000 0.451 290 L N 2.621 123.748 121.223 -0.159 0.000 2.408 290 L HA 1.010 5.349 4.340 -0.001 0.000 0.268 290 L C -1.330 175.318 176.870 -0.369 0.000 0.986 290 L CA -0.607 54.003 54.840 -0.384 0.000 0.820 290 L CB 1.844 43.460 42.059 -0.739 0.000 1.303 290 L HN 0.714 nan 8.230 nan 0.000 0.411 291 A N 3.857 126.490 122.820 -0.312 0.000 2.486 291 A HA 0.583 4.903 4.320 -0.001 0.000 0.300 291 A C -0.435 177.075 177.584 -0.124 0.000 1.048 291 A CA -0.473 51.409 52.037 -0.258 0.000 0.696 291 A CB 0.740 19.691 19.000 -0.081 0.000 1.278 291 A HN 0.773 nan 8.150 nan 0.000 0.405 292 F N 1.833 121.778 119.950 -0.009 0.000 2.789 292 F HA 0.366 4.893 4.527 -0.000 0.000 0.300 292 F C 1.680 177.549 175.800 0.114 0.000 1.132 292 F CA 0.781 58.810 58.000 0.047 0.000 1.404 292 F CB 0.343 39.362 39.000 0.031 0.000 1.114 292 F HN 1.049 nan 8.300 nan 0.000 0.584 293 G N 1.544 110.485 108.800 0.235 0.000 2.787 293 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.685 293 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.685 293 G C -1.198 173.790 174.900 0.147 0.000 1.437 293 G CA -0.688 44.503 45.100 0.151 0.000 0.872 293 G HN 0.237 nan 8.290 nan 0.000 0.566 294 E N -1.121 119.073 120.200 -0.010 0.000 2.433 294 E HA 0.731 5.081 4.350 -0.001 0.000 0.278 294 E C 0.107 176.445 176.600 -0.436 0.000 0.976 294 E CA -0.591 55.606 56.400 -0.338 0.000 0.793 294 E CB 0.678 29.971 29.700 -0.679 0.000 1.311 294 E HN 1.497 nan 8.360 nan 0.000 0.460 295 F N -0.558 119.230 119.950 -0.269 0.000 2.975 295 F HA -0.141 4.386 4.527 -0.001 0.000 0.319 295 F C 0.213 175.851 175.800 -0.270 0.000 0.976 295 F CA 0.360 58.109 58.000 -0.418 0.000 1.072 295 F CB -1.766 36.863 39.000 -0.619 0.000 1.165 295 F HN 0.410 nan 8.300 nan 0.000 0.758 296 A N 0.382 123.111 122.820 -0.151 0.000 2.351 296 A HA 0.588 4.908 4.320 -0.001 0.000 0.257 296 A C 1.340 178.886 177.584 -0.063 0.000 1.087 296 A CA 0.246 52.201 52.037 -0.136 0.000 0.798 296 A CB 0.463 19.322 19.000 -0.235 0.000 1.033 296 A HN 0.634 nan 8.150 nan 0.000 0.488 297 T N -1.997 112.541 114.554 -0.027 0.000 3.065 297 T HA 0.140 4.489 4.350 -0.001 0.000 0.252 297 T C 0.006 174.702 174.700 -0.006 0.000 1.099 297 T CA 0.883 62.981 62.100 -0.002 0.000 1.063 297 T CB 0.011 68.896 68.868 0.028 0.000 0.948 297 T HN 0.569 nan 8.240 nan 0.000 0.506 298 D N 0.767 121.158 120.400 -0.014 0.000 2.402 298 D HA 0.249 4.889 4.640 -0.001 0.000 0.252 298 D C -1.115 175.186 176.300 0.002 0.000 1.294 298 D CA -0.390 53.608 54.000 -0.005 0.000 0.948 298 D CB 1.255 42.055 40.800 0.001 0.000 1.202 298 D HN -0.106 nan 8.370 nan 0.000 0.561 299 D N 1.436 121.840 120.400 0.006 0.000 2.559 299 D HA -0.003 4.636 4.640 -0.001 0.000 0.234 299 D C 1.552 177.845 176.300 -0.012 0.000 1.226 299 D CA 0.154 54.165 54.000 0.019 0.000 0.830 299 D CB 0.586 41.393 40.800 0.012 0.000 1.028 299 D HN 0.377 nan 8.370 nan 0.000 0.492 300 S N -0.618 115.077 115.700 -0.008 0.000 2.474 300 S HA -0.030 4.440 4.470 -0.001 0.000 0.235 300 S C 0.937 175.523 174.600 -0.022 0.000 0.997 300 S CA 0.093 58.284 58.200 -0.014 0.000 0.949 300 S CB -0.002 63.196 63.200 -0.004 0.000 0.766 300 S HN 0.169 nan 8.310 nan 0.000 0.517 301 S N -1.010 114.679 115.700 -0.019 0.000 2.567 301 S HA 0.555 5.025 4.470 -0.001 0.000 0.270 301 S C -2.992 171.590 174.600 -0.031 0.000 1.152 301 S CA -1.158 57.024 58.200 -0.030 0.000 0.835 301 S CB 1.190 64.382 63.200 -0.013 0.000 1.115 301 S HN -0.063 nan 8.310 nan 0.000 0.459 302 P HA -0.048 nan 4.420 nan 0.000 0.216 302 P C 1.443 178.733 177.300 -0.017 0.000 1.153 302 P CA 1.567 64.607 63.100 -0.100 0.000 0.858 302 P CB -0.068 31.534 31.700 -0.164 0.000 0.789 303 S N -0.732 114.966 115.700 -0.002 0.000 2.368 303 S HA -0.104 4.366 4.470 -0.001 0.000 0.224 303 S C 1.798 176.416 174.600 0.031 0.000 1.029 303 S CA 1.091 59.305 58.200 0.023 0.000 0.988 303 S CB -0.567 62.648 63.200 0.025 0.000 0.838 303 S HN 0.142 nan 8.310 nan 0.000 0.462 304 K N 0.647 121.062 120.400 0.026 0.000 2.147 304 K HA -0.100 4.220 4.320 -0.001 0.000 0.205 304 K C 1.934 178.547 176.600 0.022 0.000 1.049 304 K CA 1.264 57.564 56.287 0.021 0.000 0.936 304 K CB -0.552 31.957 32.500 0.014 0.000 0.722 304 K HN 0.545 nan 8.250 nan 0.000 0.446 305 H N 1.061 120.103 119.070 -0.048 0.000 2.321 305 H HA 0.001 4.557 4.556 -0.001 0.000 0.300 305 H C 2.058 177.372 175.328 -0.023 0.000 1.087 305 H CA 1.654 57.668 56.048 -0.056 0.000 1.319 305 H CB -0.169 29.532 29.762 -0.102 0.000 1.379 305 H HN 0.002 nan 8.280 nan 0.000 0.501 306 L N -0.302 120.967 121.223 0.077 0.000 2.079 306 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 306 L C 2.655 179.524 176.870 -0.001 0.000 1.081 306 L CA 1.208 56.083 54.840 0.059 0.000 0.752 306 L CB -0.501 41.611 42.059 0.090 0.000 0.896 306 L HN 0.481 nan 8.230 nan 0.000 0.433 307 A N -1.036 121.780 122.820 -0.006 0.000 2.081 307 A HA -0.054 4.265 4.320 -0.001 0.000 0.214 307 A C 2.072 179.649 177.584 -0.013 0.000 1.158 307 A CA 1.326 53.364 52.037 0.002 0.000 0.724 307 A CB -0.316 18.693 19.000 0.015 0.000 0.826 307 A HN 0.461 nan 8.150 nan 0.000 0.463 308 T N -3.845 110.679 114.554 -0.050 0.000 3.040 308 T HA 0.231 4.580 4.350 -0.001 0.000 0.266 308 T C 0.422 175.086 174.700 -0.061 0.000 1.005 308 T CA 0.284 62.362 62.100 -0.036 0.000 0.906 308 T CB -0.227 68.627 68.868 -0.023 0.000 1.082 308 T HN 0.035 nan 8.240 nan 0.000 0.531 309 S N 2.733 118.344 115.700 -0.149 0.000 2.596 309 S HA 0.050 4.520 4.470 -0.001 0.000 0.298 309 S C 1.336 175.977 174.600 0.068 0.000 1.255 309 S CA -0.231 57.879 58.200 -0.151 0.000 1.083 309 S CB 0.668 63.724 63.200 -0.240 0.000 0.837 309 S HN 0.517 nan 8.310 nan 0.000 0.499 310 Q N 1.665 121.566 119.800 0.168 0.000 2.170 310 Q HA -0.055 4.285 4.340 -0.001 0.000 0.203 310 Q C -0.310 176.031 176.000 0.569 0.000 0.976 310 Q CA 0.903 56.901 55.803 0.326 0.000 0.858 310 Q CB 0.013 28.979 28.738 0.380 0.000 0.907 310 Q HN 0.588 nan 8.270 nan 0.000 0.433 311 F N 2.397 122.526 119.950 0.298 0.000 2.368 311 F HA 0.261 4.788 4.527 -0.000 0.000 0.362 311 F C -1.871 173.977 175.800 0.080 0.000 1.137 311 F CA -3.833 54.315 58.000 0.247 0.000 1.161 311 F CB 0.144 39.375 39.000 0.385 0.000 1.265 311 F HN -0.052 nan 8.300 nan 0.000 0.530 312 P HA 0.054 nan 4.420 nan 0.000 0.269 312 P C -0.085 177.246 177.300 0.051 0.000 1.215 312 P CA -0.054 63.090 63.100 0.074 0.000 0.780 312 P CB 0.991 32.706 31.700 0.025 0.000 0.898 313 S N 0.532 116.261 115.700 0.049 0.000 2.669 313 S HA 0.822 5.292 4.470 -0.001 0.000 0.270 313 S C 0.362 174.982 174.600 0.033 0.000 1.225 313 S CA 0.137 58.376 58.200 0.064 0.000 0.991 313 S CB 0.707 63.976 63.200 0.115 0.000 0.987 313 S HN 0.920 nan 8.310 nan 0.000 0.552 314 G N -1.084 107.727 108.800 0.018 0.000 2.356 314 G HA2 0.417 4.377 3.960 -0.001 0.000 0.300 314 G HA3 0.417 4.377 3.960 -0.001 0.000 0.300 314 G C -1.937 172.926 174.900 -0.062 0.000 1.331 314 G CA -0.282 44.817 45.100 -0.002 0.000 0.905 314 G HN 1.415 nan 8.290 nan 0.000 0.587 315 V N 0.563 120.445 119.914 -0.053 0.000 2.569 315 V HA 0.579 4.698 4.120 -0.001 0.000 0.301 315 V C -0.187 175.893 176.094 -0.023 0.000 1.044 315 V CA -0.492 61.743 62.300 -0.108 0.000 0.874 315 V CB 1.491 33.207 31.823 -0.178 0.000 1.002 315 V HN 0.711 nan 8.190 nan 0.000 0.424 316 I N 3.495 124.073 120.570 0.013 0.000 2.412 316 I HA 0.617 4.787 4.170 -0.001 0.000 0.296 316 I C 0.023 176.146 176.117 0.010 0.000 0.987 316 I CA -0.079 61.255 61.300 0.057 0.000 1.180 316 I CB 2.255 40.350 38.000 0.159 0.000 1.340 316 I HN 0.562 nan 8.210 nan 0.000 0.455 317 T N 3.282 117.835 114.554 -0.002 0.000 2.861 317 T HA 0.463 4.812 4.350 -0.001 0.000 0.287 317 T C 0.548 175.222 174.700 -0.044 0.000 1.003 317 T CA -0.214 61.869 62.100 -0.029 0.000 0.977 317 T CB 1.697 70.570 68.868 0.009 0.000 0.996 317 T HN 1.004 nan 8.240 nan 0.000 0.448 318 G N 2.662 111.414 108.800 -0.080 0.000 2.283 318 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.280 318 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.280 318 G C 0.553 175.380 174.900 -0.122 0.000 1.029 318 G CA 0.584 45.629 45.100 -0.092 0.000 0.840 318 G HN 0.900 nan 8.290 nan 0.000 0.505 319 R N -1.596 118.814 120.500 -0.149 0.000 3.863 319 R HA -0.209 4.131 4.340 -0.001 0.000 0.313 319 R C 0.211 176.449 176.300 -0.104 0.000 1.202 319 R CA 1.253 57.231 56.100 -0.204 0.000 0.852 319 R CB -1.269 28.741 30.300 -0.483 0.000 1.292 319 R HN 0.516 nan 8.270 nan 0.000 0.519 320 D N 0.992 121.361 120.400 -0.050 0.000 2.453 320 D HA 0.098 4.738 4.640 -0.001 0.000 0.223 320 D C 1.154 177.456 176.300 0.003 0.000 1.183 320 D CA -0.107 53.881 54.000 -0.019 0.000 0.933 320 D CB 0.416 41.209 40.800 -0.011 0.000 1.038 320 D HN 0.245 nan 8.370 nan 0.000 0.513 321 L N 2.340 123.571 121.223 0.014 0.000 2.456 321 L HA 0.047 4.386 4.340 -0.001 0.000 0.224 321 L C 2.111 179.002 176.870 0.035 0.000 1.148 321 L CA 0.660 55.523 54.840 0.039 0.000 0.825 321 L CB 0.048 42.159 42.059 0.088 0.000 0.937 321 L HN 0.392 nan 8.230 nan 0.000 0.450 322 G N -0.257 108.557 108.800 0.024 0.000 3.088 322 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.212 322 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.212 322 G C 0.786 175.696 174.900 0.016 0.000 1.173 322 G CA -0.064 45.047 45.100 0.017 0.000 0.779 322 G HN 0.190 nan 8.290 nan 0.000 0.540 323 K N 0.795 121.207 120.400 0.019 0.000 3.262 323 K HA 0.311 4.630 4.320 -0.001 0.000 0.166 323 K C -0.754 175.862 176.600 0.027 0.000 1.091 323 K CA -0.340 55.960 56.287 0.022 0.000 0.798 323 K CB 1.028 33.541 32.500 0.021 0.000 0.953 323 K HN -0.057 nan 8.250 nan 0.000 0.588 324 V N 2.320 122.250 119.914 0.026 0.000 2.439 324 V HA 0.094 4.214 4.120 -0.001 0.000 0.271 324 V C 0.349 176.463 176.094 0.034 0.000 1.040 324 V CA -0.122 62.194 62.300 0.027 0.000 1.002 324 V CB 0.610 32.446 31.823 0.021 0.000 1.000 324 V HN 0.450 nan 8.190 nan 0.000 0.477 325 D N 3.292 123.717 120.400 0.041 0.000 2.312 325 D HA 0.239 4.878 4.640 -0.001 0.000 0.248 325 D C 0.061 176.401 176.300 0.067 0.000 1.086 325 D CA -0.404 53.634 54.000 0.063 0.000 0.948 325 D CB 0.873 41.729 40.800 0.093 0.000 1.162 325 D HN 0.443 nan 8.370 nan 0.000 0.446 326 N N -0.163 118.588 118.700 0.086 0.000 2.479 326 N HA 0.065 4.805 4.740 -0.001 0.000 0.257 326 N C -0.324 175.274 175.510 0.146 0.000 1.232 326 N CA -0.210 52.899 53.050 0.098 0.000 0.920 326 N CB 0.791 39.334 38.487 0.094 0.000 1.105 326 N HN 0.091 nan 8.380 nan 0.000 0.444 327 V N 1.396 121.404 119.914 0.157 0.000 2.508 327 V HA -0.029 4.091 4.120 -0.001 0.000 0.281 327 V C 0.466 176.737 176.094 0.296 0.000 1.041 327 V CA -0.164 62.279 62.300 0.239 0.000 1.016 327 V CB 0.735 32.715 31.823 0.261 0.000 0.984 327 V HN 0.541 nan 8.190 nan 0.000 0.478 328 D N 4.368 125.028 120.400 0.433 0.000 2.443 328 D HA 0.262 4.902 4.640 -0.001 0.000 0.221 328 D C 0.930 177.448 176.300 0.363 0.000 1.097 328 D CA -0.229 53.956 54.000 0.308 0.000 0.865 328 D CB 1.074 41.995 40.800 0.201 0.000 1.034 328 D HN 0.429 nan 8.370 nan 0.000 0.511 329 L N 2.660 124.077 121.223 0.324 0.000 2.261 329 L HA -0.039 4.301 4.340 -0.001 0.000 0.216 329 L C 2.174 179.340 176.870 0.493 0.000 1.114 329 L CA 1.224 56.312 54.840 0.414 0.000 0.777 329 L CB -0.022 42.226 42.059 0.315 0.000 0.910 329 L HN 0.485 nan 8.230 nan 0.000 0.440 330 G N -1.102 107.886 108.800 0.315 0.000 2.813 330 G HA2 0.064 4.024 3.960 -0.001 0.000 0.209 330 G HA3 0.064 4.024 3.960 -0.001 0.000 0.209 330 G C 1.444 176.460 174.900 0.193 0.000 1.150 330 G CA 0.567 45.788 45.100 0.202 0.000 0.785 330 G HN 0.425 nan 8.290 nan 0.000 0.535 331 A N -0.019 122.886 122.820 0.142 0.000 2.267 331 A HA 0.487 4.806 4.320 -0.001 0.000 0.213 331 A C 0.835 178.454 177.584 0.058 0.000 1.192 331 A CA -0.343 51.673 52.037 -0.035 0.000 0.851 331 A CB 0.007 18.753 19.000 -0.424 0.000 0.881 331 A HN 0.289 nan 8.150 nan 0.000 0.494 332 I N 1.190 121.919 120.570 0.264 0.000 2.496 332 I HA 0.319 4.488 4.170 -0.001 0.000 0.285 332 I C -0.059 176.140 176.117 0.137 0.000 1.080 332 I CA -0.045 61.438 61.300 0.304 0.000 1.404 332 I CB 0.366 38.613 38.000 0.410 0.000 1.403 332 I HN 0.508 nan 8.210 nan 0.000 0.539 333 Y N 3.123 123.414 120.300 -0.015 0.000 2.655 333 Y HA 0.709 5.259 4.550 -0.001 0.000 0.336 333 Y C -1.288 174.498 175.900 -0.190 0.000 1.154 333 Y CA -1.360 56.657 58.100 -0.138 0.000 1.055 333 Y CB 1.102 39.527 38.460 -0.060 0.000 1.295 333 Y HN 0.411 nan 8.280 nan 0.000 0.465 334 E N 1.284 121.459 120.200 -0.042 0.000 2.248 334 E HA 0.329 4.678 4.350 -0.001 0.000 0.267 334 E C -1.580 175.036 176.600 0.027 0.000 0.877 334 E CA -1.030 55.285 56.400 -0.142 0.000 0.759 334 E CB 2.012 31.588 29.700 -0.208 0.000 1.182 334 E HN 0.535 nan 8.360 nan 0.000 0.418 335 D N 0.944 121.347 120.400 0.005 0.000 2.326 335 D HA 0.253 4.893 4.640 -0.001 0.000 0.251 335 D C 0.511 176.808 176.300 -0.005 0.000 1.023 335 D CA -0.353 53.676 54.000 0.048 0.000 0.966 335 D CB 2.086 42.945 40.800 0.098 0.000 1.156 335 D HN 0.275 nan 8.370 nan 0.000 0.494 336 V N -1.746 118.178 119.914 0.016 0.000 3.382 336 V HA 0.196 4.316 4.120 -0.001 0.000 0.296 336 V C 1.624 177.737 176.094 0.031 0.000 1.529 336 V CA -0.249 62.081 62.300 0.049 0.000 1.048 336 V CB 0.113 31.984 31.823 0.079 0.000 0.878 336 V HN 0.414 nan 8.190 nan 0.000 0.442 337 K N 0.746 121.130 120.400 -0.027 0.000 2.089 337 K HA -0.166 4.154 4.320 -0.001 0.000 0.210 337 K C 1.155 177.453 176.600 -0.504 0.000 1.048 337 K CA 2.587 58.752 56.287 -0.204 0.000 0.926 337 K CB -0.241 32.129 32.500 -0.217 0.000 0.714 337 K HN 0.677 nan 8.250 nan 0.000 0.448 338 Y N 0.028 120.168 120.300 -0.266 0.000 2.658 338 Y HA 0.261 4.811 4.550 -0.001 0.000 0.276 338 Y C -0.064 175.487 175.900 -0.583 0.000 1.167 338 Y CA -0.700 57.126 58.100 -0.457 0.000 1.230 338 Y CB 0.945 39.195 38.460 -0.350 0.000 1.144 338 Y HN -0.110 nan 8.280 nan 0.000 0.529 339 S N -1.208 114.363 115.700 -0.215 0.000 2.704 339 S HA 0.252 4.722 4.470 -0.001 0.000 0.305 339 S C -0.700 173.778 174.600 -0.203 0.000 1.107 339 S CA -0.795 57.253 58.200 -0.252 0.000 0.993 339 S CB 0.986 64.258 63.200 0.120 0.000 1.110 339 S HN 0.260 nan 8.310 nan 0.000 0.534 340 W N 2.685 123.700 121.300 -0.475 0.000 1.395 340 W HA 0.373 5.033 4.660 -0.001 0.000 0.451 340 W C -1.089 174.834 176.519 -0.994 0.000 0.619 340 W CA -0.517 56.309 57.345 -0.864 0.000 2.212 340 W CB -1.368 27.148 29.460 -1.572 0.000 1.537 340 W HN 0.532 nan 8.180 nan 0.000 0.275 341 Y N -0.061 120.241 120.300 0.004 0.000 2.615 341 Y HA 0.558 5.107 4.550 -0.001 0.000 0.341 341 Y C 0.437 176.324 175.900 -0.021 0.000 1.089 341 Y CA -1.912 56.197 58.100 0.015 0.000 1.049 341 Y CB 0.362 38.847 38.460 0.043 0.000 1.296 341 Y HN 0.004 nan 8.280 nan 0.000 0.470 342 A N 3.153 126.070 122.820 0.162 0.000 2.531 342 A HA 0.346 4.666 4.320 -0.001 0.000 0.236 342 A C -2.263 175.359 177.584 0.064 0.000 1.062 342 A CA -0.976 51.101 52.037 0.066 0.000 0.760 342 A CB -0.772 18.267 19.000 0.064 0.000 0.995 342 A HN 0.431 nan 8.150 nan 0.000 0.501 343 P HA 0.246 nan 4.420 nan 0.000 0.269 343 P C 0.801 178.114 177.300 0.022 0.000 1.217 343 P CA 1.217 64.334 63.100 0.030 0.000 0.783 343 P CB 0.534 32.241 31.700 0.011 0.000 0.898 344 G N 0.659 109.467 108.800 0.013 0.000 2.143 344 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.249 344 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.249 344 G C 0.818 175.721 174.900 0.004 0.000 0.981 344 G CA 0.080 45.182 45.100 0.004 0.000 0.665 344 G HN 0.879 nan 8.290 nan 0.000 0.528 345 G N -0.474 108.333 108.800 0.012 0.000 3.284 345 G HA2 0.387 4.347 3.960 -0.001 0.000 0.236 345 G HA3 0.387 4.347 3.960 -0.001 0.000 0.236 345 G C 0.181 175.077 174.900 -0.006 0.000 1.158 345 G CA 0.388 45.489 45.100 0.002 0.000 0.774 345 G HN 0.446 nan 8.290 nan 0.000 0.545 346 D N 0.260 120.659 120.400 -0.002 0.000 2.362 346 D HA 0.371 5.011 4.640 -0.001 0.000 0.242 346 D C 1.380 177.673 176.300 -0.011 0.000 1.132 346 D CA 1.046 55.050 54.000 0.007 0.000 0.907 346 D CB 1.246 42.048 40.800 0.004 0.000 1.195 346 D HN 0.209 nan 8.370 nan 0.000 0.429 347 G N 1.169 109.982 108.800 0.021 0.000 2.198 347 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.260 347 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.260 347 G C 0.088 174.952 174.900 -0.060 0.000 1.025 347 G CA 0.098 45.116 45.100 -0.136 0.000 0.769 347 G HN 0.330 nan 8.290 nan 0.000 0.507 348 K N 0.832 121.253 120.400 0.036 0.000 2.285 348 K HA 0.184 4.504 4.320 -0.001 0.000 0.286 348 K C 0.473 177.081 176.600 0.012 0.000 1.072 348 K CA -0.649 55.644 56.287 0.009 0.000 0.913 348 K CB 0.661 33.145 32.500 -0.027 0.000 1.067 348 K HN 0.506 nan 8.250 nan 0.000 0.479 349 H N 4.639 123.669 119.070 -0.068 0.000 2.928 349 H HA 0.004 4.559 4.556 -0.001 0.000 0.338 349 H C -1.658 173.484 175.328 -0.309 0.000 1.047 349 H CA -1.043 54.901 56.048 -0.173 0.000 1.435 349 H CB 1.196 30.879 29.762 -0.132 0.000 1.428 349 H HN 0.238 nan 8.280 nan 0.000 0.590 350 P HA -0.182 nan 4.420 nan 0.000 0.217 350 P C 0.912 177.947 177.300 -0.440 0.000 1.148 350 P CA 1.161 63.723 63.100 -0.896 0.000 0.828 350 P CB -0.076 30.483 31.700 -1.903 0.000 0.783 351 Y N 0.122 120.292 120.300 -0.217 0.000 2.333 351 Y HA -0.135 4.414 4.550 -0.001 0.000 0.290 351 Y C 1.336 177.248 175.900 0.021 0.000 1.144 351 Y CA 0.895 59.032 58.100 0.061 0.000 1.228 351 Y CB -0.835 37.741 38.460 0.194 0.000 0.985 351 Y HN 0.071 nan 8.280 nan 0.000 0.542 352 D N -1.028 119.463 120.400 0.152 0.000 2.501 352 D HA 0.156 4.796 4.640 -0.001 0.000 0.226 352 D C 0.978 177.288 176.300 0.016 0.000 1.198 352 D CA 0.129 54.173 54.000 0.075 0.000 0.830 352 D CB -0.123 40.714 40.800 0.062 0.000 1.014 352 D HN 0.133 nan 8.370 nan 0.000 0.496 353 G N 0.518 109.303 108.800 -0.024 0.000 2.484 353 G HA2 0.281 4.241 3.960 -0.001 0.000 0.235 353 G HA3 0.281 4.241 3.960 -0.001 0.000 0.235 353 G C 0.043 174.934 174.900 -0.015 0.000 1.282 353 G CA 0.073 45.140 45.100 -0.056 0.000 0.857 353 G HN 0.040 nan 8.290 nan 0.000 0.571 354 V N 1.171 121.065 119.914 -0.033 0.000 2.588 354 V HA 0.549 4.669 4.120 -0.001 0.000 0.304 354 V C -0.114 175.956 176.094 -0.041 0.000 1.042 354 V CA -0.640 61.654 62.300 -0.011 0.000 0.877 354 V CB 2.384 34.203 31.823 -0.006 0.000 0.996 354 V HN 0.826 nan 8.190 nan 0.000 0.425 355 T N 2.632 117.203 114.554 0.029 0.000 3.141 355 T HA 0.296 4.645 4.350 -0.001 0.000 0.377 355 T C -0.947 173.872 174.700 0.199 0.000 1.258 355 T CA -0.285 61.855 62.100 0.067 0.000 1.263 355 T CB 0.355 69.322 68.868 0.166 0.000 1.066 355 T HN 0.699 nan 8.240 nan 0.000 0.546 356 D N 4.287 124.831 120.400 0.241 0.000 2.432 356 D HA 0.301 4.940 4.640 -0.001 0.000 0.265 356 D C -2.440 174.037 176.300 0.296 0.000 1.160 356 D CA -2.151 51.983 54.000 0.222 0.000 0.911 356 D CB 1.401 42.282 40.800 0.136 0.000 1.052 356 D HN 0.140 nan 8.370 nan 0.000 0.508 357 P HA 0.163 nan 4.420 nan 0.000 0.271 357 P C -0.645 176.661 177.300 0.009 0.000 1.220 357 P CA -0.197 62.901 63.100 -0.004 0.000 0.768 357 P CB 0.699 32.187 31.700 -0.354 0.000 0.848 358 K N 3.695 124.055 120.400 -0.068 0.000 2.740 358 K HA 0.210 4.529 4.320 -0.001 0.000 0.246 358 K C -1.447 175.049 176.600 -0.175 0.000 1.021 358 K CA -0.697 55.546 56.287 -0.074 0.000 1.021 358 K CB 0.743 33.198 32.500 -0.076 0.000 1.233 358 K HN 0.339 nan 8.250 nan 0.000 0.497 359 Y N 2.732 122.842 120.300 -0.318 0.000 2.336 359 Y HA 0.056 4.606 4.550 -0.000 0.000 0.331 359 Y C 1.216 176.867 175.900 -0.415 0.000 1.211 359 Y CA 1.014 58.724 58.100 -0.649 0.000 1.346 359 Y CB 1.194 39.338 38.460 -0.526 0.000 1.271 359 Y HN 0.759 nan 8.280 nan 0.000 0.538 360 T N 1.459 115.368 114.554 -1.075 0.000 3.556 360 T HA 0.346 4.695 4.350 -0.001 0.000 0.204 360 T C -0.447 173.827 174.700 -0.710 0.000 0.896 360 T CA 0.258 62.021 62.100 -0.562 0.000 1.380 360 T CB 0.181 68.930 68.868 -0.199 0.000 1.584 360 T HN 0.667 nan 8.240 nan 0.000 0.411 361 K N -0.395 119.630 120.400 -0.626 0.000 2.615 361 K HA 0.574 4.893 4.320 -0.001 0.000 0.291 361 K C -1.639 174.912 176.600 -0.083 0.000 1.017 361 K CA -1.044 55.025 56.287 -0.362 0.000 0.882 361 K CB 0.861 33.302 32.500 -0.099 0.000 1.522 361 K HN 0.196 nan 8.250 nan 0.000 0.412 362 L N 2.062 123.329 121.223 0.073 0.000 2.482 362 L HA 0.082 4.422 4.340 -0.001 0.000 0.273 362 L C 0.360 177.282 176.870 0.086 0.000 1.228 362 L CA 1.838 56.778 54.840 0.167 0.000 0.827 362 L CB -0.385 41.759 42.059 0.143 0.000 1.099 362 L HN 0.962 nan 8.230 nan 0.000 0.494 363 D N -0.931 119.501 120.400 0.055 0.000 2.734 363 D HA -0.226 4.414 4.640 -0.001 0.000 0.194 363 D C 0.276 176.526 176.300 -0.084 0.000 1.459 363 D CA 1.407 55.376 54.000 -0.051 0.000 1.925 363 D CB -0.993 39.780 40.800 -0.044 0.000 1.370 363 D HN 0.761 nan 8.370 nan 0.000 0.511 364 D N 1.438 121.846 120.400 0.013 0.000 2.518 364 D HA -0.034 4.606 4.640 -0.001 0.000 0.270 364 D C 1.153 177.462 176.300 0.013 0.000 1.338 364 D CA 0.420 54.438 54.000 0.029 0.000 0.983 364 D CB 0.602 41.466 40.800 0.107 0.000 1.126 364 D HN -0.009 nan 8.370 nan 0.000 0.543 365 K N 2.296 122.659 120.400 -0.062 0.000 2.280 365 K HA -0.081 4.239 4.320 -0.001 0.000 0.202 365 K C 1.002 177.731 176.600 0.215 0.000 1.047 365 K CA 0.705 56.955 56.287 -0.061 0.000 0.942 365 K CB 0.135 32.574 32.500 -0.103 0.000 0.739 365 K HN 0.416 nan 8.250 nan 0.000 0.457 366 D N -0.756 119.719 120.400 0.124 0.000 2.194 366 D HA -0.038 4.601 4.640 -0.001 0.000 0.204 366 D C -0.081 176.007 176.300 -0.354 0.000 0.964 366 D CA 0.921 54.903 54.000 -0.030 0.000 0.846 366 D CB 0.240 41.007 40.800 -0.054 0.000 0.962 366 D HN 0.237 nan 8.370 nan 0.000 0.490 367 H N -0.615 118.443 119.070 -0.021 0.000 3.181 367 H HA 0.119 4.674 4.556 -0.001 0.000 0.331 367 H C -0.802 174.153 175.328 -0.623 0.000 0.988 367 H CA -0.379 55.461 56.048 -0.348 0.000 1.449 367 H CB 0.814 30.408 29.762 -0.281 0.000 1.749 367 H HN 0.081 nan 8.280 nan 0.000 0.501 368 Y N 0.868 120.609 120.300 -0.930 0.000 2.830 368 Y HA 0.518 5.068 4.550 -0.000 0.000 0.255 368 Y C -0.409 174.717 175.900 -1.291 0.000 1.130 368 Y CA -0.617 56.895 58.100 -0.981 0.000 1.217 368 Y CB 0.649 38.924 38.460 -0.308 0.000 1.296 368 Y HN 0.317 nan 8.280 nan 0.000 0.571 369 S N -0.733 113.878 115.700 -1.815 0.000 2.537 369 S HA 0.253 4.722 4.470 -0.001 0.000 0.271 369 S C -1.138 173.189 174.600 -0.456 0.000 1.148 369 S CA -0.658 57.021 58.200 -0.867 0.000 0.868 369 S CB 0.212 63.167 63.200 -0.409 0.000 1.115 369 S HN 0.406 nan 8.310 nan 0.000 0.461 370 W N 2.627 124.079 121.300 0.252 0.000 3.047 370 W HA 0.311 4.971 4.660 -0.000 0.000 0.250 370 W C 0.990 177.711 176.519 0.336 0.000 1.314 370 W CA -0.342 57.210 57.345 0.345 0.000 1.540 370 W CB 0.241 29.974 29.460 0.455 0.000 1.127 370 W HN 0.285 nan 8.180 nan 0.000 0.679 371 M N 1.488 121.306 119.600 0.363 0.000 2.211 371 M HA 0.126 4.606 4.480 -0.001 0.000 0.356 371 M C 0.600 177.006 176.300 0.177 0.000 1.216 371 M CA 0.220 55.662 55.300 0.238 0.000 1.134 371 M CB 0.935 33.613 32.600 0.129 0.000 1.564 371 M HN -0.201 nan 8.290 nan 0.000 0.463 372 K N 1.409 121.876 120.400 0.112 0.000 2.132 372 K HA 0.453 4.773 4.320 -0.001 0.000 0.240 372 K C -0.206 176.344 176.600 -0.083 0.000 1.036 372 K CA -0.413 55.865 56.287 -0.015 0.000 0.888 372 K CB 0.520 32.944 32.500 -0.127 0.000 1.071 372 K HN 0.729 nan 8.250 nan 0.000 0.502 373 A N 2.646 125.395 122.820 -0.119 0.000 2.394 373 A HA 0.357 4.677 4.320 -0.001 0.000 0.333 373 A C -2.462 174.945 177.584 -0.294 0.000 1.397 373 A CA -1.769 50.170 52.037 -0.162 0.000 0.884 373 A CB 0.172 19.120 19.000 -0.088 0.000 1.147 373 A HN 0.290 nan 8.150 nan 0.000 0.505 374 P HA 0.371 nan 4.420 nan 0.000 0.276 374 P C -0.400 176.452 177.300 -0.747 0.000 1.235 374 P CA -0.026 62.516 63.100 -0.929 0.000 0.772 374 P CB 0.781 31.369 31.700 -1.853 0.000 0.871 375 R N 2.270 122.349 120.500 -0.702 0.000 2.867 375 R HA 0.516 4.855 4.340 -0.001 0.000 0.268 375 R C -1.418 174.757 176.300 -0.208 0.000 1.014 375 R CA -0.892 54.983 56.100 -0.375 0.000 0.946 375 R CB 1.602 31.600 30.300 -0.502 0.000 1.208 375 R HN 0.484 nan 8.270 nan 0.000 0.477 376 Y N 1.177 121.487 120.300 0.017 0.000 2.322 376 Y HA 0.193 4.743 4.550 -0.001 0.000 0.324 376 Y C -0.240 175.760 175.900 0.167 0.000 1.027 376 Y CA -0.383 57.806 58.100 0.149 0.000 1.179 376 Y CB 0.906 39.474 38.460 0.180 0.000 1.136 376 Y HN 0.635 nan 8.280 nan 0.000 0.449 377 K N 4.553 124.981 120.400 0.045 0.000 3.071 377 K HA -0.261 4.059 4.320 -0.001 0.000 0.262 377 K C 0.922 177.639 176.600 0.194 0.000 0.977 377 K CA 1.097 57.447 56.287 0.105 0.000 0.721 377 K CB -1.596 30.913 32.500 0.016 0.000 1.293 377 K HN 1.307 nan 8.250 nan 0.000 0.475 378 G N -0.366 108.614 108.800 0.301 0.000 2.179 378 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.260 378 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.260 378 G C -0.107 174.889 174.900 0.159 0.000 0.977 378 G CA 0.833 46.080 45.100 0.246 0.000 0.641 378 G HN 0.357 nan 8.290 nan 0.000 0.533 379 K N 0.280 120.776 120.400 0.159 0.000 2.259 379 K HA 0.738 5.057 4.320 -0.001 0.000 0.249 379 K C 0.320 177.002 176.600 0.136 0.000 0.942 379 K CA -0.203 56.158 56.287 0.122 0.000 0.816 379 K CB 2.119 34.689 32.500 0.117 0.000 1.155 379 K HN 0.459 nan 8.250 nan 0.000 0.428 380 A N 3.339 126.212 122.820 0.089 0.000 2.388 380 A HA 0.420 4.740 4.320 -0.001 0.000 0.257 380 A C -0.265 177.383 177.584 0.105 0.000 1.095 380 A CA -0.080 52.027 52.037 0.117 0.000 0.791 380 A CB 0.211 19.243 19.000 0.054 0.000 1.029 380 A HN 0.552 nan 8.150 nan 0.000 0.489 381 M N 1.870 121.582 119.600 0.187 0.000 2.321 381 M HA 0.301 4.780 4.480 -0.001 0.000 0.315 381 M C -0.200 176.126 176.300 0.043 0.000 1.052 381 M CA -0.242 55.057 55.300 -0.001 0.000 0.936 381 M CB 1.559 34.010 32.600 -0.249 0.000 1.639 381 M HN 0.944 nan 8.290 nan 0.000 0.433 382 E N 2.940 123.133 120.200 -0.013 0.000 2.289 382 E HA 0.489 4.838 4.350 -0.001 0.000 0.278 382 E C -1.006 175.667 176.600 0.121 0.000 1.032 382 E CA -0.593 55.898 56.400 0.152 0.000 0.854 382 E CB 1.136 30.980 29.700 0.240 0.000 1.046 382 E HN 0.547 nan 8.360 nan 0.000 0.409 383 V N 1.212 121.201 119.914 0.125 0.000 3.113 383 V HA 0.992 5.112 4.120 -0.001 0.000 0.316 383 V C 0.417 176.562 176.094 0.085 0.000 1.125 383 V CA 0.198 62.500 62.300 0.004 0.000 1.026 383 V CB 0.949 32.673 31.823 -0.165 0.000 1.080 383 V HN 1.053 nan 8.190 nan 0.000 0.444 384 G N 1.699 110.520 108.800 0.035 0.000 2.409 384 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.421 384 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.421 384 G C -2.392 172.534 174.900 0.043 0.000 1.259 384 G CA -0.046 45.087 45.100 0.054 0.000 1.011 384 G HN 0.686 nan 8.290 nan 0.000 0.497 385 P HA -0.051 nan 4.420 nan 0.000 0.216 385 P C 2.270 179.526 177.300 -0.073 0.000 1.153 385 P CA 1.588 64.707 63.100 0.030 0.000 0.858 385 P CB 0.064 31.737 31.700 -0.044 0.000 0.789 386 L N -0.514 120.635 121.223 -0.122 0.000 2.046 386 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 386 L C 2.242 178.947 176.870 -0.275 0.000 1.077 386 L CA 2.026 56.721 54.840 -0.242 0.000 0.747 386 L CB -1.611 40.352 42.059 -0.160 0.000 0.896 386 L HN -0.121 nan 8.230 nan 0.000 0.432 387 A N -0.417 122.348 122.820 -0.091 0.000 1.865 387 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 387 A C 2.441 179.954 177.584 -0.118 0.000 1.191 387 A CA 1.947 53.955 52.037 -0.048 0.000 0.623 387 A CB -0.610 18.453 19.000 0.105 0.000 0.826 387 A HN 0.472 nan 8.150 nan 0.000 0.444 388 R N -1.096 119.342 120.500 -0.103 0.000 2.083 388 R HA -0.120 4.220 4.340 -0.001 0.000 0.237 388 R C 2.369 178.405 176.300 -0.441 0.000 1.137 388 R CA 1.954 57.950 56.100 -0.173 0.000 0.951 388 R CB -0.857 29.440 30.300 -0.005 0.000 0.851 388 R HN 0.574 nan 8.270 nan 0.000 0.434 389 T N 0.603 114.921 114.554 -0.394 0.000 2.684 389 T HA -0.151 4.199 4.350 -0.001 0.000 0.267 389 T C 1.567 176.022 174.700 -0.408 0.000 1.036 389 T CA 1.463 63.284 62.100 -0.464 0.000 1.148 389 T CB -0.324 68.348 68.868 -0.327 0.000 0.863 389 T HN 0.177 nan 8.240 nan 0.000 0.436 390 F N 0.506 120.247 119.950 -0.349 0.000 2.186 390 F HA 0.029 4.555 4.527 -0.001 0.000 0.299 390 F C 2.173 177.872 175.800 -0.168 0.000 1.090 390 F CA 0.643 58.474 58.000 -0.281 0.000 1.307 390 F CB -0.280 38.436 39.000 -0.473 0.000 1.019 390 F HN 0.114 nan 8.300 nan 0.000 0.489 391 I N -0.481 120.074 120.570 -0.025 0.000 2.202 391 I HA -0.269 3.901 4.170 -0.001 0.000 0.242 391 I C 2.645 178.698 176.117 -0.108 0.000 1.091 391 I CA 1.056 62.328 61.300 -0.046 0.000 1.368 391 I CB -0.676 37.285 38.000 -0.065 0.000 1.058 391 I HN 0.068 nan 8.210 nan 0.000 0.410 392 A N 0.198 122.839 122.820 -0.297 0.000 1.877 392 A HA -0.289 4.031 4.320 -0.001 0.000 0.216 392 A C 2.309 179.825 177.584 -0.114 0.000 1.186 392 A CA 1.587 53.409 52.037 -0.359 0.000 0.620 392 A CB -1.121 17.224 19.000 -1.092 0.000 0.822 392 A HN 0.480 nan 8.150 nan 0.000 0.443 393 Y N 0.569 120.758 120.300 -0.185 0.000 2.165 393 Y HA -0.133 4.417 4.550 -0.001 0.000 0.286 393 Y C 2.672 178.568 175.900 -0.007 0.000 1.155 393 Y CA 1.304 59.376 58.100 -0.045 0.000 1.164 393 Y CB -0.439 37.999 38.460 -0.036 0.000 0.978 393 Y HN 0.309 nan 8.280 nan 0.000 0.513 394 A N -0.244 122.624 122.820 0.081 0.000 2.015 394 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 394 A C 2.074 179.630 177.584 -0.047 0.000 1.163 394 A CA 1.595 53.642 52.037 0.017 0.000 0.646 394 A CB -0.416 18.627 19.000 0.071 0.000 0.806 394 A HN 0.482 nan 8.150 nan 0.000 0.448 395 K N -1.451 118.922 120.400 -0.045 0.000 2.426 395 K HA 0.205 4.525 4.320 -0.001 0.000 0.193 395 K C 0.936 177.502 176.600 -0.056 0.000 1.028 395 K CA 0.449 56.712 56.287 -0.040 0.000 1.047 395 K CB 0.017 32.502 32.500 -0.024 0.000 0.821 395 K HN 0.618 nan 8.250 nan 0.000 0.513 396 G N 2.109 110.849 108.800 -0.101 0.000 2.176 396 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.252 396 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.252 396 G C -0.120 174.761 174.900 -0.033 0.000 1.024 396 G CA -0.127 44.909 45.100 -0.107 0.000 0.755 396 G HN 0.305 nan 8.290 nan 0.000 0.507 397 Q N -0.033 119.772 119.800 0.008 0.000 2.264 397 Q HA 0.062 4.401 4.340 -0.001 0.000 0.296 397 Q C -0.748 175.312 176.000 0.100 0.000 1.103 397 Q CA -0.409 55.444 55.803 0.082 0.000 0.967 397 Q CB 0.835 29.652 28.738 0.132 0.000 1.090 397 Q HN 0.279 nan 8.270 nan 0.000 0.379 398 P HA -0.144 nan 4.420 nan 0.000 0.215 398 P C 0.438 177.750 177.300 0.021 0.000 1.153 398 P CA 1.051 64.168 63.100 0.028 0.000 0.853 398 P CB 0.337 32.045 31.700 0.014 0.000 0.788 399 D N -1.343 119.069 120.400 0.019 0.000 2.097 399 D HA -0.124 4.515 4.640 -0.001 0.000 0.195 399 D C 1.840 178.060 176.300 -0.133 0.000 0.989 399 D CA 1.155 55.104 54.000 -0.086 0.000 0.827 399 D CB -0.888 39.828 40.800 -0.140 0.000 0.966 399 D HN 0.156 nan 8.370 nan 0.000 0.456 400 F N 1.287 121.189 119.950 -0.079 0.000 2.134 400 F HA -0.091 4.436 4.527 -0.001 0.000 0.299 400 F C 2.408 178.245 175.800 0.061 0.000 1.097 400 F CA 0.972 58.933 58.000 -0.064 0.000 1.264 400 F CB -0.138 38.813 39.000 -0.082 0.000 1.001 400 F HN -0.140 nan 8.300 nan 0.000 0.479 401 K N 0.902 121.451 120.400 0.248 0.000 2.032 401 K HA -0.285 4.035 4.320 -0.001 0.000 0.209 401 K C 2.231 178.918 176.600 0.146 0.000 1.048 401 K CA 1.908 58.321 56.287 0.211 0.000 0.927 401 K CB -0.205 32.292 32.500 -0.005 0.000 0.712 401 K HN 0.124 nan 8.250 nan 0.000 0.441 402 K N 0.186 120.608 120.400 0.037 0.000 2.009 402 K HA -0.124 4.195 4.320 -0.001 0.000 0.210 402 K C 1.874 178.445 176.600 -0.049 0.000 1.049 402 K CA 1.728 58.005 56.287 -0.016 0.000 0.929 402 K CB -0.015 32.454 32.500 -0.053 0.000 0.714 402 K HN 0.030 nan 8.250 nan 0.000 0.440 403 V N 0.215 120.068 119.914 -0.100 0.000 2.453 403 V HA -0.162 3.958 4.120 -0.001 0.000 0.247 403 V C 2.221 178.225 176.094 -0.151 0.000 1.048 403 V CA 1.255 63.458 62.300 -0.162 0.000 1.049 403 V CB 0.032 31.698 31.823 -0.262 0.000 0.672 403 V HN 0.164 nan 8.190 nan 0.000 0.457 404 V N 0.291 120.139 119.914 -0.110 0.000 2.343 404 V HA -0.250 3.870 4.120 -0.001 0.000 0.247 404 V C 2.254 178.255 176.094 -0.155 0.000 1.051 404 V CA 2.183 64.369 62.300 -0.189 0.000 1.036 404 V CB -0.609 31.022 31.823 -0.321 0.000 0.654 404 V HN 0.539 nan 8.190 nan 0.000 0.451 405 D N -0.835 119.551 120.400 -0.024 0.000 2.183 405 D HA -0.122 4.518 4.640 -0.001 0.000 0.203 405 D C 2.045 178.314 176.300 -0.052 0.000 0.969 405 D CA 0.821 54.820 54.000 -0.002 0.000 0.842 405 D CB -0.215 40.629 40.800 0.073 0.000 0.957 405 D HN 0.272 nan 8.370 nan 0.000 0.484 406 M N 0.714 120.270 119.600 -0.075 0.000 2.086 406 M HA -0.136 4.344 4.480 -0.001 0.000 0.261 406 M C 1.889 178.122 176.300 -0.113 0.000 1.067 406 M CA 1.208 56.453 55.300 -0.092 0.000 1.116 406 M CB -0.420 32.115 32.600 -0.109 0.000 1.348 406 M HN -0.138 nan 8.290 nan 0.000 0.407 407 V N 1.278 121.106 119.914 -0.144 0.000 2.295 407 V HA -0.296 3.824 4.120 -0.001 0.000 0.246 407 V C 2.686 178.697 176.094 -0.138 0.000 1.049 407 V CA 1.623 63.827 62.300 -0.160 0.000 1.024 407 V CB -0.861 30.840 31.823 -0.203 0.000 0.648 407 V HN 0.501 nan 8.190 nan 0.000 0.447 408 L N 0.385 121.524 121.223 -0.140 0.000 2.079 408 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 408 L C 2.609 179.432 176.870 -0.078 0.000 1.081 408 L CA 1.747 56.519 54.840 -0.113 0.000 0.752 408 L CB -1.207 40.782 42.059 -0.117 0.000 0.896 408 L HN 0.500 nan 8.230 nan 0.000 0.433 409 G N -0.143 108.614 108.800 -0.071 0.000 2.433 409 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.216 409 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.216 409 G C 1.653 176.514 174.900 -0.065 0.000 1.186 409 G CA 0.281 45.347 45.100 -0.057 0.000 0.779 409 G HN 0.134 nan 8.290 nan 0.000 0.543 410 K N 0.218 120.570 120.400 -0.079 0.000 2.152 410 K HA 0.058 4.378 4.320 -0.001 0.000 0.206 410 K C 2.376 178.925 176.600 -0.085 0.000 1.048 410 K CA 0.659 56.896 56.287 -0.084 0.000 0.933 410 K CB -0.358 32.083 32.500 -0.097 0.000 0.721 410 K HN 0.359 nan 8.250 nan 0.000 0.447 411 L N -0.225 120.947 121.223 -0.086 0.000 2.477 411 L HA 0.071 4.411 4.340 -0.001 0.000 0.220 411 L C 0.710 177.543 176.870 -0.062 0.000 1.106 411 L CA -0.065 54.727 54.840 -0.079 0.000 0.851 411 L CB 0.055 42.065 42.059 -0.080 0.000 0.994 411 L HN 0.014 nan 8.230 nan 0.000 0.462 412 S N 0.237 115.903 115.700 -0.056 0.000 3.783 412 S HA -0.110 4.359 4.470 -0.001 0.000 0.360 412 S C -0.197 174.385 174.600 -0.030 0.000 1.006 412 S CA 0.464 58.639 58.200 -0.042 0.000 1.115 412 S CB -1.212 61.962 63.200 -0.042 0.000 0.893 412 S HN 0.314 nan 8.310 nan 0.000 0.475 413 V N -0.927 118.967 119.914 -0.033 0.000 2.962 413 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 413 V C -2.272 173.812 176.094 -0.017 0.000 1.099 413 V CA -2.166 60.123 62.300 -0.019 0.000 0.971 413 V CB 1.847 33.660 31.823 -0.017 0.000 1.028 413 V HN 0.160 nan 8.190 nan 0.000 0.430 414 P HA 0.298 nan 4.420 nan 0.000 0.274 414 P C 0.803 178.107 177.300 0.007 0.000 1.237 414 P CA 0.231 63.341 63.100 0.017 0.000 0.793 414 P CB 1.334 33.058 31.700 0.040 0.000 0.977 415 A N 1.883 124.712 122.820 0.016 0.000 1.986 415 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 415 A C 1.993 179.620 177.584 0.072 0.000 1.171 415 A CA 2.512 54.541 52.037 -0.013 0.000 0.640 415 A CB -2.001 17.027 19.000 0.047 0.000 0.811 415 A HN 0.711 nan 8.150 nan 0.000 0.451 416 T N -2.346 112.287 114.554 0.130 0.000 2.929 416 T HA 0.107 4.457 4.350 -0.001 0.000 0.271 416 T C 1.757 176.586 174.700 0.216 0.000 1.085 416 T CA 1.312 63.554 62.100 0.236 0.000 1.125 416 T CB -0.480 68.507 68.868 0.199 0.000 0.874 416 T HN 0.613 nan 8.240 nan 0.000 0.494 417 A N 1.280 124.165 122.820 0.108 0.000 2.125 417 A HA 0.249 4.569 4.320 -0.001 0.000 0.219 417 A C 2.286 179.912 177.584 0.070 0.000 1.156 417 A CA 0.720 52.809 52.037 0.087 0.000 0.671 417 A CB -0.810 18.215 19.000 0.042 0.000 0.794 417 A HN 0.591 nan 8.150 nan 0.000 0.459 418 L N -0.574 120.658 121.223 0.014 0.000 2.376 418 L HA -0.052 4.288 4.340 -0.001 0.000 0.219 418 L C 0.513 177.421 176.870 0.064 0.000 1.133 418 L CA 0.205 54.993 54.840 -0.087 0.000 0.816 418 L CB -0.511 41.310 42.059 -0.396 0.000 0.933 418 L HN 0.429 nan 8.230 nan 0.000 0.449 419 H N 1.287 120.564 119.070 0.345 0.000 3.195 419 H HA 0.207 4.762 4.556 -0.001 0.000 0.241 419 H C 0.196 175.645 175.328 0.203 0.000 1.823 419 H CA 0.276 56.517 56.048 0.321 0.000 1.466 419 H CB -0.327 29.565 29.762 0.217 0.000 1.819 419 H HN 0.277 nan 8.280 nan 0.000 0.575 420 S N -0.777 115.073 115.700 0.249 0.000 2.636 420 S HA 0.110 4.579 4.470 -0.001 0.000 0.266 420 S C 0.867 175.579 174.600 0.185 0.000 1.147 420 S CA -0.730 57.596 58.200 0.210 0.000 0.815 420 S CB 1.397 64.713 63.200 0.193 0.000 1.119 420 S HN 0.153 nan 8.310 nan 0.000 0.470 421 T N 1.053 115.771 114.554 0.273 0.000 2.746 421 T HA -0.050 4.300 4.350 -0.001 0.000 0.267 421 T C 1.759 176.623 174.700 0.274 0.000 1.039 421 T CA 1.735 64.029 62.100 0.323 0.000 1.142 421 T CB -0.576 68.649 68.868 0.594 0.000 0.866 421 T HN 0.479 nan 8.240 nan 0.000 0.444 422 L N 1.427 122.823 121.223 0.289 0.000 2.012 422 L HA 0.023 4.362 4.340 -0.001 0.000 0.210 422 L C 2.591 179.467 176.870 0.011 0.000 1.073 422 L CA 2.124 57.036 54.840 0.120 0.000 0.748 422 L CB -1.275 40.878 42.059 0.157 0.000 0.891 422 L HN 0.308 nan 8.230 nan 0.000 0.431 423 G N -1.224 107.585 108.800 0.015 0.000 2.440 423 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.218 423 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.218 423 G C 1.824 176.648 174.900 -0.127 0.000 1.154 423 G CA 0.826 45.872 45.100 -0.090 0.000 0.767 423 G HN 0.395 nan 8.290 nan 0.000 0.552 424 R N -0.257 120.202 120.500 -0.067 0.000 2.105 424 R HA -0.087 4.253 4.340 -0.001 0.000 0.239 424 R C 2.656 178.911 176.300 -0.075 0.000 1.135 424 R CA 1.942 57.975 56.100 -0.112 0.000 0.967 424 R CB -0.347 29.854 30.300 -0.164 0.000 0.861 424 R HN 0.377 nan 8.270 nan 0.000 0.442 425 T N 0.040 114.598 114.554 0.006 0.000 2.812 425 T HA -0.011 4.339 4.350 -0.001 0.000 0.264 425 T C 1.809 176.468 174.700 -0.068 0.000 1.042 425 T CA 1.075 63.215 62.100 0.067 0.000 1.140 425 T CB -0.220 68.712 68.868 0.106 0.000 0.870 425 T HN 0.402 nan 8.240 nan 0.000 0.445 426 A N 1.694 124.428 122.820 -0.143 0.000 1.902 426 A HA 0.143 4.462 4.320 -0.001 0.000 0.217 426 A C 2.663 180.106 177.584 -0.236 0.000 1.181 426 A CA 1.832 53.738 52.037 -0.218 0.000 0.623 426 A CB -1.172 17.696 19.000 -0.221 0.000 0.818 426 A HN 0.497 nan 8.150 nan 0.000 0.443 427 A N -0.209 122.476 122.820 -0.224 0.000 1.908 427 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 427 A C 2.228 179.715 177.584 -0.161 0.000 1.181 427 A CA 1.955 53.862 52.037 -0.216 0.000 0.627 427 A CB -0.530 18.320 19.000 -0.250 0.000 0.818 427 A HN 0.586 nan 8.150 nan 0.000 0.445 428 R N -0.663 119.727 120.500 -0.183 0.000 2.091 428 R HA -0.125 4.215 4.340 -0.001 0.000 0.238 428 R C 2.235 178.421 176.300 -0.190 0.000 1.136 428 R CA 1.781 57.714 56.100 -0.279 0.000 0.959 428 R CB -0.693 29.428 30.300 -0.297 0.000 0.856 428 R HN 0.458 nan 8.270 nan 0.000 0.437 429 G N 0.744 109.396 108.800 -0.247 0.000 2.402 429 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 429 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 429 G C 1.479 176.139 174.900 -0.400 0.000 1.162 429 G CA 0.801 45.571 45.100 -0.549 0.000 0.777 429 G HN 0.272 nan 8.290 nan 0.000 0.539 430 I N 1.580 121.965 120.570 -0.309 0.000 2.113 430 I HA -0.295 3.874 4.170 -0.001 0.000 0.242 430 I C 2.967 178.924 176.117 -0.266 0.000 1.064 430 I CA 2.103 63.231 61.300 -0.286 0.000 1.320 430 I CB -0.282 37.569 38.000 -0.249 0.000 1.028 430 I HN 0.504 nan 8.210 nan 0.000 0.406 431 E N 0.222 120.359 120.200 -0.105 0.000 2.208 431 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 431 E C 1.871 178.585 176.600 0.189 0.000 0.988 431 E CA 1.588 58.001 56.400 0.021 0.000 0.828 431 E CB -0.415 29.510 29.700 0.375 0.000 0.763 431 E HN 0.386 nan 8.360 nan 0.000 0.478 432 T N 1.298 115.976 114.554 0.206 0.000 2.708 432 T HA -0.126 4.224 4.350 -0.001 0.000 0.266 432 T C 2.077 176.812 174.700 0.058 0.000 1.037 432 T CA 1.608 63.860 62.100 0.252 0.000 1.146 432 T CB -0.373 68.693 68.868 0.330 0.000 0.865 432 T HN 0.419 nan 8.240 nan 0.000 0.435 433 A N 1.145 123.903 122.820 -0.103 0.000 1.908 433 A HA -0.068 4.252 4.320 -0.001 0.000 0.218 433 A C 2.305 179.794 177.584 -0.160 0.000 1.181 433 A CA 1.384 53.327 52.037 -0.156 0.000 0.627 433 A CB -0.849 18.009 19.000 -0.236 0.000 0.818 433 A HN 0.538 nan 8.150 nan 0.000 0.445 434 I N -0.596 119.852 120.570 -0.202 0.000 2.252 434 I HA -0.201 3.969 4.170 -0.001 0.000 0.245 434 I C 2.338 178.389 176.117 -0.111 0.000 1.102 434 I CA 1.014 62.172 61.300 -0.237 0.000 1.385 434 I CB -0.319 37.368 38.000 -0.521 0.000 1.064 434 I HN 0.155 nan 8.210 nan 0.000 0.414 435 V N 0.149 120.083 119.914 0.032 0.000 2.287 435 V HA -0.350 3.770 4.120 -0.001 0.000 0.248 435 V C 2.610 178.605 176.094 -0.165 0.000 1.053 435 V CA 1.907 64.178 62.300 -0.047 0.000 1.027 435 V CB -0.657 31.220 31.823 0.091 0.000 0.646 435 V HN 0.575 nan 8.190 nan 0.000 0.447 436 c N 0.216 118.762 118.600 -0.090 0.000 2.413 436 c HA -0.151 4.419 4.570 -0.001 0.000 0.276 436 c C 3.060 177.039 174.090 -0.185 0.000 1.248 436 c CA 0.950 57.215 56.329 -0.106 0.000 1.742 436 c CB -1.331 41.145 42.510 -0.057 0.000 2.017 436 c HN 0.643 nan 8.230 nan 0.000 0.481 437 A N 0.143 122.834 122.820 -0.215 0.000 2.067 437 A HA -0.133 4.187 4.320 -0.001 0.000 0.219 437 A C 1.839 179.213 177.584 -0.351 0.000 1.158 437 A CA 1.464 53.356 52.037 -0.241 0.000 0.661 437 A CB -0.468 18.401 19.000 -0.220 0.000 0.801 437 A HN 0.771 nan 8.150 nan 0.000 0.452 438 N N -1.042 117.333 118.700 -0.543 0.000 2.254 438 N HA 0.057 4.797 4.740 -0.001 0.000 0.190 438 N C 1.228 176.180 175.510 -0.931 0.000 1.107 438 N CA 0.124 52.598 53.050 -0.961 0.000 0.869 438 N CB 0.053 37.521 38.487 -1.698 0.000 0.983 438 N HN 0.304 nan 8.380 nan 0.000 0.487 439 M N 1.138 120.450 119.600 -0.480 0.000 2.086 439 M HA -0.133 4.346 4.480 -0.001 0.000 0.261 439 M C 2.102 178.341 176.300 -0.101 0.000 1.067 439 M CA 1.405 56.600 55.300 -0.175 0.000 1.116 439 M CB -0.988 31.543 32.600 -0.115 0.000 1.348 439 M HN 0.173 nan 8.290 nan 0.000 0.407 440 E N 0.476 120.588 120.200 -0.147 0.000 2.077 440 E HA -0.227 4.123 4.350 -0.001 0.000 0.193 440 E C 2.105 178.673 176.600 -0.054 0.000 0.989 440 E CA 1.510 57.861 56.400 -0.081 0.000 0.800 440 E CB 0.023 29.669 29.700 -0.091 0.000 0.746 440 E HN 0.429 nan 8.360 nan 0.000 0.452 441 K N -0.278 120.042 120.400 -0.132 0.000 2.026 441 K HA -0.170 4.150 4.320 -0.001 0.000 0.208 441 K C 1.880 178.518 176.600 0.064 0.000 1.048 441 K CA 1.553 57.787 56.287 -0.088 0.000 0.929 441 K CB -0.222 32.157 32.500 -0.202 0.000 0.713 441 K HN 0.229 nan 8.250 nan 0.000 0.439 442 W N 1.329 122.615 121.300 -0.023 0.000 2.358 442 W HA -0.088 4.572 4.660 -0.000 0.000 0.303 442 W C 1.992 178.527 176.519 0.027 0.000 1.208 442 W CA 0.575 57.916 57.345 -0.008 0.000 1.274 442 W CB -0.765 28.676 29.460 -0.031 0.000 1.138 442 W HN 0.105 nan 8.180 nan 0.000 0.515 443 I N 0.186 120.921 120.570 0.275 0.000 2.179 443 I HA -0.317 3.852 4.170 -0.001 0.000 0.242 443 I C 2.563 178.762 176.117 0.136 0.000 1.088 443 I CA 1.539 62.967 61.300 0.212 0.000 1.357 443 I CB -0.674 37.448 38.000 0.204 0.000 1.051 443 I HN -0.127 nan 8.210 nan 0.000 0.409 444 K N 0.972 121.433 120.400 0.102 0.000 2.103 444 K HA -0.267 4.052 4.320 -0.001 0.000 0.207 444 K C 2.103 178.749 176.600 0.076 0.000 1.048 444 K CA 1.705 58.034 56.287 0.070 0.000 0.930 444 K CB -0.094 32.431 32.500 0.043 0.000 0.716 444 K HN 0.295 nan 8.250 nan 0.000 0.444 445 E N 0.396 120.658 120.200 0.103 0.000 2.058 445 E HA -0.253 4.096 4.350 -0.001 0.000 0.194 445 E C 2.029 178.675 176.600 0.077 0.000 0.997 445 E CA 1.546 58.005 56.400 0.098 0.000 0.801 445 E CB -0.054 29.730 29.700 0.140 0.000 0.746 445 E HN 0.340 nan 8.360 nan 0.000 0.450 446 M N -0.224 119.425 119.600 0.082 0.000 2.193 446 M HA -0.049 4.431 4.480 -0.001 0.000 0.265 446 M C 2.223 178.549 176.300 0.044 0.000 1.071 446 M CA 1.354 56.686 55.300 0.052 0.000 1.140 446 M CB 0.008 32.632 32.600 0.039 0.000 1.369 446 M HN 0.196 nan 8.290 nan 0.000 0.423 447 A N 0.676 123.528 122.820 0.052 0.000 1.892 447 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 447 A C 1.656 179.263 177.584 0.039 0.000 1.188 447 A CA 2.344 54.408 52.037 0.044 0.000 0.631 447 A CB -1.042 17.988 19.000 0.050 0.000 0.822 447 A HN 0.533 nan 8.150 nan 0.000 0.447 448 D N -0.831 119.594 120.400 0.042 0.000 2.097 448 D HA -0.097 4.542 4.640 -0.001 0.000 0.195 448 D C 2.326 178.647 176.300 0.035 0.000 0.989 448 D CA 1.593 55.615 54.000 0.036 0.000 0.827 448 D CB -0.453 40.369 40.800 0.037 0.000 0.966 448 D HN 0.397 nan 8.370 nan 0.000 0.456 449 S N -0.301 115.422 115.700 0.038 0.000 2.356 449 S HA -0.094 4.375 4.470 -0.001 0.000 0.223 449 S C 2.134 176.757 174.600 0.039 0.000 1.032 449 S CA 1.791 60.013 58.200 0.037 0.000 1.005 449 S CB -0.597 62.625 63.200 0.037 0.000 0.867 449 S HN 0.313 nan 8.310 nan 0.000 0.449 450 G N 0.431 109.255 108.800 0.039 0.000 2.448 450 G HA2 0.001 3.960 3.960 -0.001 0.000 0.219 450 G HA3 0.001 3.960 3.960 -0.001 0.000 0.219 450 G C 1.568 176.495 174.900 0.045 0.000 1.127 450 G CA 0.903 46.031 45.100 0.046 0.000 0.766 450 G HN 0.683 nan 8.290 nan 0.000 0.552 451 A N 0.193 123.035 122.820 0.037 0.000 1.968 451 A HA 0.136 4.456 4.320 -0.001 0.000 0.217 451 A C 2.300 179.902 177.584 0.029 0.000 1.169 451 A CA 1.877 53.932 52.037 0.032 0.000 0.638 451 A CB -0.125 18.892 19.000 0.027 0.000 0.812 451 A HN 0.252 nan 8.150 nan 0.000 0.446 452 K N -0.479 119.939 120.400 0.031 0.000 2.211 452 K HA 0.108 4.428 4.320 -0.001 0.000 0.201 452 K C -0.213 176.405 176.600 0.030 0.000 1.052 452 K CA 0.790 57.093 56.287 0.027 0.000 0.973 452 K CB 0.381 32.897 32.500 0.026 0.000 0.766 452 K HN 0.391 nan 8.250 nan 0.000 0.466 453 D N -0.389 120.034 120.400 0.038 0.000 2.591 453 D HA 0.020 4.660 4.640 -0.001 0.000 0.222 453 D C -1.058 175.281 176.300 0.065 0.000 1.360 453 D CA -0.216 53.810 54.000 0.045 0.000 0.967 453 D CB 0.421 41.245 40.800 0.041 0.000 1.456 453 D HN 0.221 nan 8.370 nan 0.000 0.588 454 N N 1.371 120.121 118.700 0.082 0.000 2.322 454 N HA 0.015 4.755 4.740 -0.001 0.000 0.216 454 N C -0.232 175.410 175.510 0.219 0.000 1.144 454 N CA -0.371 52.764 53.050 0.142 0.000 0.830 454 N CB 0.273 38.858 38.487 0.163 0.000 1.034 454 N HN 0.028 nan 8.380 nan 0.000 0.484 455 T N 1.233 115.879 114.554 0.153 0.000 2.908 455 T HA 0.010 4.360 4.350 -0.001 0.000 0.301 455 T C 0.616 175.402 174.700 0.143 0.000 1.019 455 T CA 0.069 62.271 62.100 0.169 0.000 1.152 455 T CB 1.148 70.077 68.868 0.101 0.000 0.966 455 T HN 0.264 nan 8.240 nan 0.000 0.540 456 L N 3.262 124.575 121.223 0.150 0.000 3.154 456 L HA 0.440 4.779 4.340 -0.001 0.000 0.280 456 L C 0.068 176.922 176.870 -0.027 0.000 1.134 456 L CA 0.273 55.102 54.840 -0.018 0.000 1.037 456 L CB 0.715 42.596 42.059 -0.297 0.000 1.571 456 L HN 0.705 nan 8.230 nan 0.000 0.576 457 C N 0.722 120.057 119.300 0.059 0.000 2.547 457 C HA 0.867 5.327 4.460 -0.001 0.000 0.313 457 C C 0.470 175.529 174.990 0.114 0.000 1.191 457 C CA -0.440 58.622 59.018 0.073 0.000 1.474 457 C CB 0.477 28.275 27.740 0.097 0.000 2.081 457 C HN 0.491 nan 8.230 nan 0.000 0.476 458 A N 4.885 127.773 122.820 0.114 0.000 2.271 458 A HA 0.633 4.952 4.320 -0.001 0.000 0.288 458 A C -0.283 177.430 177.584 0.215 0.000 1.094 458 A CA -0.378 51.739 52.037 0.134 0.000 0.828 458 A CB 0.438 19.500 19.000 0.104 0.000 1.091 458 A HN 0.904 nan 8.150 nan 0.000 0.493 459 K N 1.005 121.504 120.400 0.165 0.000 2.237 459 K HA 0.385 4.705 4.320 -0.001 0.000 0.270 459 K C -0.623 176.124 176.600 0.245 0.000 1.015 459 K CA 0.099 56.470 56.287 0.141 0.000 0.949 459 K CB 0.746 33.273 32.500 0.046 0.000 0.976 459 K HN 0.779 nan 8.250 nan 0.000 0.472 460 W N 0.673 121.979 121.300 0.011 0.000 3.025 460 W HA 0.478 5.138 4.660 0.000 0.000 0.343 460 W C -1.456 175.069 176.519 0.009 0.000 1.246 460 W CA -0.731 56.618 57.345 0.007 0.000 1.178 460 W CB 0.789 30.252 29.460 0.004 0.000 1.463 460 W HN 0.474 nan 8.180 nan 0.000 0.578 461 E N 1.365 121.683 120.200 0.196 0.000 2.272 461 E HA 0.341 4.691 4.350 -0.001 0.000 0.269 461 E C -0.995 175.766 176.600 0.268 0.000 0.877 461 E CA -1.282 55.123 56.400 0.009 0.000 0.755 461 E CB 2.780 32.488 29.700 0.012 0.000 1.192 461 E HN 0.318 nan 8.360 nan 0.000 0.422 462 M N 5.630 125.327 119.600 0.162 0.000 2.194 462 M HA 0.224 4.704 4.480 -0.001 0.000 0.347 462 M C -2.362 174.027 176.300 0.148 0.000 1.439 462 M CA -1.692 53.783 55.300 0.292 0.000 1.131 462 M CB 0.442 33.192 32.600 0.251 0.000 1.733 462 M HN 0.154 nan 8.290 nan 0.000 0.467 463 P HA 0.160 nan 4.420 nan 0.000 0.281 463 P C -0.196 177.144 177.300 0.066 0.000 1.249 463 P CA -0.202 62.947 63.100 0.083 0.000 0.810 463 P CB 0.779 32.522 31.700 0.073 0.000 1.008 464 E N 0.493 120.720 120.200 0.044 0.000 2.118 464 E HA -0.130 4.220 4.350 -0.001 0.000 0.195 464 E C 0.225 176.844 176.600 0.033 0.000 0.992 464 E CA 1.444 57.865 56.400 0.035 0.000 0.804 464 E CB 0.375 30.089 29.700 0.023 0.000 0.741 464 E HN 0.578 nan 8.360 nan 0.000 0.458 465 E N -0.502 119.714 120.200 0.027 0.000 2.311 465 E HA 0.337 4.687 4.350 -0.001 0.000 0.281 465 E C -1.490 175.115 176.600 0.008 0.000 0.905 465 E CA -0.181 56.228 56.400 0.016 0.000 0.778 465 E CB 1.784 31.488 29.700 0.006 0.000 1.240 465 E HN -0.055 nan 8.360 nan 0.000 0.410 466 S N 2.437 118.138 115.700 0.001 0.000 2.655 466 S HA 0.530 5.000 4.470 -0.001 0.000 0.266 466 S C -2.092 172.485 174.600 -0.038 0.000 1.149 466 S CA -0.814 57.377 58.200 -0.015 0.000 0.818 466 S CB 1.176 64.382 63.200 0.009 0.000 1.130 466 S HN 0.513 nan 8.310 nan 0.000 0.476 467 K N 0.197 120.557 120.400 -0.066 0.000 2.512 467 K HA 0.827 5.147 4.320 -0.001 0.000 0.263 467 K C -0.539 176.074 176.600 0.021 0.000 0.966 467 K CA -0.931 55.307 56.287 -0.082 0.000 0.851 467 K CB 1.607 33.869 32.500 -0.398 0.000 1.395 467 K HN 0.880 nan 8.250 nan 0.000 0.440 468 G N 0.324 109.232 108.800 0.179 0.000 2.673 468 G HA2 0.505 4.464 3.960 -0.001 0.000 0.292 468 G HA3 0.505 4.464 3.960 -0.001 0.000 0.292 468 G C -2.053 172.897 174.900 0.083 0.000 1.450 468 G CA -0.671 44.510 45.100 0.134 0.000 0.837 468 G HN 0.500 nan 8.290 nan 0.000 0.505 469 V N 0.153 119.976 119.914 -0.152 0.000 2.656 469 V HA 0.911 5.031 4.120 -0.001 0.000 0.307 469 V C 0.187 175.956 176.094 -0.543 0.000 1.051 469 V CA 0.122 62.072 62.300 -0.584 0.000 0.893 469 V CB 1.848 33.019 31.823 -1.087 0.000 0.999 469 V HN 1.427 nan 8.190 nan 0.000 0.426 470 G N 6.467 114.908 108.800 -0.598 0.000 2.417 470 G HA2 0.657 4.617 3.960 -0.001 0.000 0.320 470 G HA3 0.657 4.617 3.960 -0.001 0.000 0.320 470 G C -1.208 173.329 174.900 -0.605 0.000 1.204 470 G CA -0.633 44.162 45.100 -0.509 0.000 0.923 470 G HN 0.783 nan 8.290 nan 0.000 0.466 471 L N 1.440 122.287 121.223 -0.627 0.000 2.325 471 L HA 0.861 5.201 4.340 -0.001 0.000 0.278 471 L C 0.289 176.828 176.870 -0.551 0.000 1.023 471 L CA -0.869 53.593 54.840 -0.629 0.000 0.811 471 L CB 2.058 43.669 42.059 -0.746 0.000 1.249 471 L HN 0.643 nan 8.230 nan 0.000 0.431 472 A N 1.388 124.072 122.820 -0.227 0.000 2.594 472 A HA 0.559 4.878 4.320 -0.001 0.000 0.295 472 A C -1.750 175.880 177.584 0.077 0.000 1.071 472 A CA -0.581 51.361 52.037 -0.157 0.000 0.685 472 A CB 1.720 20.570 19.000 -0.250 0.000 1.285 472 A HN 0.664 nan 8.150 nan 0.000 0.405 473 D N 1.458 121.910 120.400 0.086 0.000 2.467 473 D HA 0.567 5.207 4.640 -0.001 0.000 0.220 473 D C 0.571 176.960 176.300 0.148 0.000 1.103 473 D CA 0.558 54.631 54.000 0.121 0.000 0.886 473 D CB 1.212 42.118 40.800 0.176 0.000 1.025 473 D HN 0.834 nan 8.370 nan 0.000 0.514 474 A N 3.897 126.758 122.820 0.068 0.000 2.310 474 A HA 0.355 4.675 4.320 -0.001 0.000 0.260 474 A C -1.258 176.284 177.584 -0.069 0.000 1.112 474 A CA -0.900 51.159 52.037 0.037 0.000 0.804 474 A CB 0.159 19.132 19.000 -0.045 0.000 1.081 474 A HN 0.382 nan 8.150 nan 0.000 0.499 475 P HA -0.140 nan 4.420 nan 0.000 0.217 475 P C 0.949 178.202 177.300 -0.079 0.000 1.148 475 P CA 1.520 64.326 63.100 -0.490 0.000 0.828 475 P CB 0.079 31.564 31.700 -0.358 0.000 0.783 476 R N -2.001 118.495 120.500 -0.006 0.000 2.334 476 R HA 0.415 4.755 4.340 -0.001 0.000 0.216 476 R C 1.076 177.418 176.300 0.070 0.000 0.905 476 R CA 0.429 56.562 56.100 0.056 0.000 1.064 476 R CB 0.361 30.714 30.300 0.089 0.000 1.046 476 R HN 0.201 nan 8.270 nan 0.000 0.508 477 G N 0.237 109.064 108.800 0.045 0.000 2.270 477 G HA2 0.091 4.050 3.960 -0.001 0.000 0.268 477 G HA3 0.091 4.050 3.960 -0.001 0.000 0.268 477 G C -1.440 173.441 174.900 -0.031 0.000 1.312 477 G CA -0.627 44.481 45.100 0.014 0.000 1.050 477 G HN 0.148 nan 8.290 nan 0.000 0.474 478 A N -0.208 122.484 122.820 -0.213 0.000 2.496 478 A HA 0.534 4.854 4.320 -0.001 0.000 0.278 478 A C 0.049 177.625 177.584 -0.012 0.000 1.137 478 A CA 0.633 52.393 52.037 -0.463 0.000 0.805 478 A CB -0.017 18.143 19.000 -1.400 0.000 1.077 478 A HN 1.952 nan 8.150 nan 0.000 0.513 479 L N 3.697 125.074 121.223 0.257 0.000 2.317 479 L HA 0.754 5.094 4.340 -0.001 0.000 0.281 479 L C 0.117 177.212 176.870 0.375 0.000 1.024 479 L CA 0.284 55.309 54.840 0.308 0.000 0.810 479 L CB 1.927 44.015 42.059 0.048 0.000 1.240 479 L HN 0.666 nan 8.230 nan 0.000 0.427 480 S N 2.454 118.375 115.700 0.369 0.000 2.548 480 S HA 0.608 5.078 4.470 -0.001 0.000 0.276 480 S C -0.972 173.712 174.600 0.139 0.000 1.129 480 S CA -0.766 57.457 58.200 0.037 0.000 0.931 480 S CB 0.952 64.147 63.200 -0.009 0.000 1.068 480 S HN 0.768 nan 8.310 nan 0.000 0.480 481 H N 0.635 119.461 119.070 -0.406 0.000 2.495 481 H HA 0.496 5.052 4.556 -0.001 0.000 0.348 481 H C -1.540 173.366 175.328 -0.702 0.000 1.113 481 H CA -0.748 55.107 56.048 -0.322 0.000 1.195 481 H CB 1.352 31.037 29.762 -0.129 0.000 1.521 481 H HN 0.633 nan 8.280 nan 0.000 0.509 482 W N 3.952 124.949 121.300 -0.505 0.000 2.715 482 W HA 0.472 5.131 4.660 -0.001 0.000 0.331 482 W C -0.802 175.392 176.519 -0.542 0.000 1.031 482 W CA -0.507 56.559 57.345 -0.463 0.000 1.237 482 W CB 1.207 30.399 29.460 -0.447 0.000 1.378 482 W HN 0.301 nan 8.180 nan 0.000 0.454 483 I N 3.433 123.943 120.570 -0.099 0.000 2.569 483 I HA 0.550 4.720 4.170 -0.001 0.000 0.296 483 I C -0.488 175.714 176.117 0.143 0.000 1.028 483 I CA -1.268 59.978 61.300 -0.091 0.000 1.082 483 I CB 1.362 39.300 38.000 -0.104 0.000 1.264 483 I HN 0.399 nan 8.210 nan 0.000 0.429 484 R N 7.613 128.185 120.500 0.119 0.000 2.343 484 R HA 0.577 4.917 4.340 -0.001 0.000 0.320 484 R C -1.170 175.172 176.300 0.071 0.000 0.956 484 R CA -0.727 55.416 56.100 0.071 0.000 0.836 484 R CB 1.925 32.262 30.300 0.061 0.000 1.151 484 R HN 0.555 nan 8.270 nan 0.000 0.450 485 I N 2.895 123.495 120.570 0.049 0.000 2.359 485 I HA 0.313 4.483 4.170 -0.001 0.000 0.294 485 I C -0.083 176.056 176.117 0.037 0.000 0.987 485 I CA -0.400 60.933 61.300 0.056 0.000 1.225 485 I CB 1.488 39.525 38.000 0.061 0.000 1.366 485 I HN 0.360 nan 8.210 nan 0.000 0.466 486 K N 4.429 124.853 120.400 0.039 0.000 2.513 486 K HA 0.505 4.825 4.320 -0.001 0.000 0.251 486 K C 0.308 176.926 176.600 0.031 0.000 0.939 486 K CA -0.377 55.928 56.287 0.028 0.000 0.793 486 K CB 1.876 34.391 32.500 0.023 0.000 1.241 486 K HN 0.757 nan 8.250 nan 0.000 0.431 487 G N 3.736 112.552 108.800 0.027 0.000 2.321 487 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.287 487 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.287 487 G C 0.068 174.989 174.900 0.035 0.000 1.018 487 G CA 0.997 46.113 45.100 0.027 0.000 0.855 487 G HN 0.881 nan 8.290 nan 0.000 0.507 488 K N -2.676 117.751 120.400 0.045 0.000 3.407 488 K HA -0.202 4.117 4.320 -0.001 0.000 0.312 488 K C 0.746 177.384 176.600 0.064 0.000 1.302 488 K CA 1.877 58.201 56.287 0.061 0.000 0.931 488 K CB -0.695 31.841 32.500 0.059 0.000 1.257 488 K HN 0.531 nan 8.250 nan 0.000 0.454 489 K N 0.383 120.814 120.400 0.052 0.000 2.352 489 K HA 0.472 4.792 4.320 -0.001 0.000 0.240 489 K C 0.275 176.908 176.600 0.055 0.000 1.017 489 K CA -0.899 55.416 56.287 0.046 0.000 0.851 489 K CB 0.991 33.509 32.500 0.030 0.000 1.261 489 K HN 0.004 nan 8.250 nan 0.000 0.451 490 I N 1.929 122.530 120.570 0.051 0.000 2.505 490 I HA -0.088 4.081 4.170 -0.001 0.000 0.287 490 I C 1.096 177.254 176.117 0.068 0.000 1.104 490 I CA 0.380 61.730 61.300 0.083 0.000 1.387 490 I CB 0.289 38.334 38.000 0.074 0.000 1.404 490 I HN 0.601 nan 8.210 nan 0.000 0.528 491 D N 4.652 125.100 120.400 0.079 0.000 2.259 491 D HA -0.020 4.619 4.640 -0.001 0.000 0.216 491 D C 0.321 176.669 176.300 0.080 0.000 0.961 491 D CA 0.957 54.995 54.000 0.063 0.000 0.878 491 D CB 0.431 41.261 40.800 0.050 0.000 1.009 491 D HN 0.461 nan 8.370 nan 0.000 0.490 492 N N -0.984 117.783 118.700 0.111 0.000 2.308 492 N HA 0.292 5.032 4.740 -0.001 0.000 0.283 492 N C -2.138 173.489 175.510 0.196 0.000 1.105 492 N CA -0.596 52.534 53.050 0.132 0.000 0.840 492 N CB 1.090 39.641 38.487 0.105 0.000 1.633 492 N HN -0.054 nan 8.380 nan 0.000 0.476 493 F N 2.048 122.028 119.950 0.049 0.000 2.585 493 F HA 0.460 4.987 4.527 -0.001 0.000 0.319 493 F C -1.133 174.684 175.800 0.028 0.000 1.165 493 F CA -0.383 57.642 58.000 0.042 0.000 0.949 493 F CB 1.388 40.377 39.000 -0.018 0.000 1.218 493 F HN 0.253 nan 8.300 nan 0.000 0.453 494 Q N 6.085 125.903 119.800 0.030 0.000 2.321 494 Q HA 0.467 4.806 4.340 -0.001 0.000 0.270 494 Q C -1.512 174.528 176.000 0.066 0.000 1.032 494 Q CA -0.993 54.859 55.803 0.083 0.000 0.784 494 Q CB 3.018 31.757 28.738 0.003 0.000 1.264 494 Q HN 0.576 nan 8.270 nan 0.000 0.448 495 L N 1.871 123.082 121.223 -0.020 0.000 2.289 495 L HA 0.506 4.846 4.340 -0.001 0.000 0.285 495 L C -0.292 176.590 176.870 0.019 0.000 1.049 495 L CA -0.541 54.197 54.840 -0.170 0.000 0.804 495 L CB 1.601 43.224 42.059 -0.725 0.000 1.195 495 L HN 0.270 nan 8.230 nan 0.000 0.428 496 V N 4.190 124.242 119.914 0.231 0.000 2.443 496 V HA 0.579 4.699 4.120 -0.001 0.000 0.293 496 V C -0.304 176.010 176.094 0.368 0.000 1.021 496 V CA -0.644 61.807 62.300 0.252 0.000 0.848 496 V CB 1.877 33.853 31.823 0.255 0.000 0.998 496 V HN 0.454 nan 8.190 nan 0.000 0.424 497 V N 6.709 126.819 119.914 0.326 0.000 2.815 497 V HA 0.433 4.553 4.120 -0.001 0.000 0.314 497 V C -1.394 174.951 176.094 0.418 0.000 1.064 497 V CA -1.728 60.799 62.300 0.378 0.000 0.952 497 V CB 2.291 34.350 31.823 0.393 0.000 1.020 497 V HN 0.573 nan 8.190 nan 0.000 0.439 498 P HA -0.243 nan 4.420 nan 0.000 0.216 498 P C 1.395 178.888 177.300 0.322 0.000 1.154 498 P CA 2.264 65.569 63.100 0.341 0.000 0.865 498 P CB 0.165 31.981 31.700 0.193 0.000 0.789 499 A N -0.520 122.460 122.820 0.267 0.000 1.972 499 A HA -0.155 4.165 4.320 -0.001 0.000 0.219 499 A C 2.266 179.965 177.584 0.192 0.000 1.169 499 A CA 2.401 54.571 52.037 0.222 0.000 0.635 499 A CB -1.855 17.273 19.000 0.214 0.000 0.810 499 A HN 0.240 nan 8.150 nan 0.000 0.446 500 T N -1.395 113.278 114.554 0.197 0.000 2.746 500 T HA -0.221 4.128 4.350 -0.001 0.000 0.267 500 T C 1.529 176.235 174.700 0.010 0.000 1.039 500 T CA 1.476 63.625 62.100 0.082 0.000 1.142 500 T CB -0.412 68.483 68.868 0.046 0.000 0.866 500 T HN 0.719 nan 8.240 nan 0.000 0.444 501 W N 1.947 123.291 121.300 0.074 0.000 2.355 501 W HA -0.035 4.625 4.660 -0.001 0.000 0.309 501 W C 2.465 178.992 176.519 0.014 0.000 1.206 501 W CA 0.519 57.884 57.345 0.033 0.000 1.284 501 W CB -0.359 29.116 29.460 0.025 0.000 1.145 501 W HN 0.180 nan 8.180 nan 0.000 0.502 502 N N -0.625 118.231 118.700 0.260 0.000 2.290 502 N HA 0.016 4.755 4.740 -0.001 0.000 0.179 502 N C 1.301 176.750 175.510 -0.102 0.000 1.016 502 N CA 1.045 54.155 53.050 0.099 0.000 0.871 502 N CB -0.340 38.264 38.487 0.194 0.000 0.987 502 N HN 0.161 nan 8.380 nan 0.000 0.431 503 L N -0.305 120.905 121.223 -0.022 0.000 2.906 503 L HA 0.370 4.709 4.340 -0.001 0.000 0.255 503 L C 1.128 178.002 176.870 0.006 0.000 1.166 503 L CA -0.316 54.496 54.840 -0.046 0.000 0.977 503 L CB 0.737 42.805 42.059 0.015 0.000 1.313 503 L HN -0.051 nan 8.230 nan 0.000 0.549 504 G N 0.542 109.343 108.800 0.000 0.000 2.653 504 G HA2 0.320 4.280 3.960 -0.001 0.000 0.265 504 G HA3 0.320 4.280 3.960 -0.001 0.000 0.265 504 G C -2.398 172.482 174.900 -0.035 0.000 1.237 504 G CA -0.641 44.450 45.100 -0.015 0.000 0.946 504 G HN -0.134 nan 8.290 nan 0.000 0.522 505 P HA 0.233 nan 4.420 nan 0.000 0.307 505 P C -0.137 177.100 177.300 -0.104 0.000 1.306 505 P CA -0.692 62.314 63.100 -0.157 0.000 0.742 505 P CB 0.843 32.150 31.700 -0.654 0.000 1.349 506 R N -1.076 119.351 120.500 -0.121 0.000 2.784 506 R HA 0.411 4.751 4.340 -0.001 0.000 0.266 506 R C 1.177 177.437 176.300 -0.067 0.000 1.044 506 R CA 0.260 56.238 56.100 -0.204 0.000 1.151 506 R CB -0.527 29.430 30.300 -0.571 0.000 1.037 506 R HN 0.565 nan 8.270 nan 0.000 0.478 507 G N -0.281 108.508 108.800 -0.018 0.000 2.525 507 G HA2 0.333 4.292 3.960 -0.001 0.000 0.287 507 G HA3 0.333 4.292 3.960 -0.001 0.000 0.287 507 G C 0.693 175.714 174.900 0.201 0.000 1.350 507 G CA -0.054 45.093 45.100 0.078 0.000 1.039 507 G HN 0.634 nan 8.290 nan 0.000 0.513 508 A N -1.272 121.651 122.820 0.172 0.000 1.986 508 A HA -0.097 4.223 4.320 -0.001 0.000 0.220 508 A C 2.076 179.762 177.584 0.170 0.000 1.171 508 A CA 1.810 53.939 52.037 0.153 0.000 0.640 508 A CB -0.349 18.712 19.000 0.100 0.000 0.811 508 A HN 0.616 nan 8.150 nan 0.000 0.451 509 Q N -1.659 118.227 119.800 0.143 0.000 2.280 509 Q HA 0.306 4.646 4.340 -0.001 0.000 0.202 509 Q C 0.924 176.985 176.000 0.102 0.000 0.903 509 Q CA 0.256 56.124 55.803 0.109 0.000 0.948 509 Q CB 0.158 28.939 28.738 0.072 0.000 1.058 509 Q HN 0.851 nan 8.270 nan 0.000 0.493 510 G N 2.577 111.461 108.800 0.140 0.000 2.160 510 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.251 510 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.251 510 G C -0.438 174.363 174.900 -0.165 0.000 1.008 510 G CA 0.399 45.452 45.100 -0.079 0.000 0.724 510 G HN 0.532 nan 8.290 nan 0.000 0.514 511 D N 0.412 120.755 120.400 -0.094 0.000 2.277 511 D HA 0.385 5.025 4.640 -0.001 0.000 0.249 511 D C 0.481 176.708 176.300 -0.122 0.000 1.134 511 D CA -0.443 53.505 54.000 -0.088 0.000 0.863 511 D CB 1.200 41.983 40.800 -0.028 0.000 1.143 511 D HN 0.288 nan 8.370 nan 0.000 0.458 512 K N 1.091 121.403 120.400 -0.146 0.000 2.380 512 K HA 0.107 4.426 4.320 -0.001 0.000 0.267 512 K C 0.862 177.402 176.600 -0.101 0.000 0.990 512 K CA -0.235 55.956 56.287 -0.160 0.000 0.946 512 K CB 0.510 32.895 32.500 -0.192 0.000 0.937 512 K HN 0.678 nan 8.250 nan 0.000 0.491 513 S N 1.601 117.244 115.700 -0.095 0.000 2.624 513 S HA 0.143 4.613 4.470 -0.001 0.000 0.263 513 S C -1.893 172.661 174.600 -0.077 0.000 1.287 513 S CA -1.274 56.886 58.200 -0.066 0.000 0.990 513 S CB 0.948 64.107 63.200 -0.068 0.000 0.950 513 S HN 0.303 nan 8.310 nan 0.000 0.561 514 P HA -0.110 nan 4.420 nan 0.000 0.215 514 P C 1.688 178.894 177.300 -0.157 0.000 1.157 514 P CA 0.711 63.800 63.100 -0.019 0.000 0.874 514 P CB -0.149 31.611 31.700 0.100 0.000 0.790 515 V N 0.049 119.661 119.914 -0.503 0.000 2.427 515 V HA -0.239 3.880 4.120 -0.001 0.000 0.248 515 V C 2.082 178.066 176.094 -0.184 0.000 1.051 515 V CA 1.958 63.911 62.300 -0.578 0.000 1.048 515 V CB -0.936 30.499 31.823 -0.647 0.000 0.666 515 V HN 0.087 nan 8.190 nan 0.000 0.456 516 E N -0.268 119.839 120.200 -0.155 0.000 2.110 516 E HA -0.295 4.054 4.350 -0.001 0.000 0.193 516 E C 2.103 178.633 176.600 -0.116 0.000 0.988 516 E CA 1.594 57.910 56.400 -0.141 0.000 0.804 516 E CB -0.087 29.500 29.700 -0.189 0.000 0.745 516 E HN 0.815 nan 8.360 nan 0.000 0.458 517 E N 0.965 121.116 120.200 -0.081 0.000 2.072 517 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 517 E C 2.008 178.623 176.600 0.025 0.000 0.982 517 E CA 1.036 57.411 56.400 -0.042 0.000 0.803 517 E CB -0.101 29.582 29.700 -0.028 0.000 0.755 517 E HN 0.196 nan 8.360 nan 0.000 0.453 518 A N 0.944 123.823 122.820 0.099 0.000 1.978 518 A HA -0.159 4.160 4.320 -0.001 0.000 0.220 518 A C 2.205 179.882 177.584 0.155 0.000 1.170 518 A CA 1.337 53.500 52.037 0.209 0.000 0.636 518 A CB -0.679 18.606 19.000 0.474 0.000 0.810 518 A HN 0.388 nan 8.150 nan 0.000 0.448 519 L N 0.009 121.289 121.223 0.095 0.000 2.217 519 L HA -0.014 4.326 4.340 -0.001 0.000 0.211 519 L C 0.103 176.995 176.870 0.037 0.000 1.107 519 L CA -0.232 54.656 54.840 0.079 0.000 0.783 519 L CB -0.326 41.762 42.059 0.048 0.000 0.919 519 L HN 0.239 nan 8.230 nan 0.000 0.442 520 I N 1.137 121.708 120.570 0.000 0.000 2.741 520 I HA -0.003 4.167 4.170 -0.001 0.000 0.288 520 I C 1.482 177.596 176.117 -0.005 0.000 1.192 520 I CA 1.072 62.360 61.300 -0.020 0.000 1.426 520 I CB -0.567 37.406 38.000 -0.046 0.000 1.367 520 I HN 0.386 nan 8.210 nan 0.000 0.563 521 G N 4.374 113.170 108.800 -0.007 0.000 2.175 521 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.244 521 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.244 521 G C 0.486 175.368 174.900 -0.031 0.000 0.982 521 G CA 0.120 45.210 45.100 -0.017 0.000 0.641 521 G HN 0.612 nan 8.290 nan 0.000 0.527 522 T N 4.214 118.764 114.554 -0.007 0.000 2.853 522 T HA 0.443 4.792 4.350 -0.001 0.000 0.298 522 T C -1.768 172.939 174.700 0.011 0.000 0.978 522 T CA 0.120 62.214 62.100 -0.010 0.000 1.152 522 T CB 1.628 70.540 68.868 0.074 0.000 0.914 522 T HN 0.309 nan 8.240 nan 0.000 0.539 523 P HA 0.324 nan 4.420 nan 0.000 0.279 523 P C -0.855 176.510 177.300 0.109 0.000 1.239 523 P CA -0.513 62.612 63.100 0.041 0.000 0.789 523 P CB 0.760 32.470 31.700 0.016 0.000 0.933 524 I N 2.556 123.199 120.570 0.121 0.000 2.437 524 I HA 0.185 4.355 4.170 -0.001 0.000 0.279 524 I C 1.456 177.647 176.117 0.124 0.000 1.028 524 I CA -0.860 60.515 61.300 0.126 0.000 1.142 524 I CB 0.530 38.594 38.000 0.107 0.000 1.266 524 I HN 0.376 nan 8.210 nan 0.000 0.461 525 A N 4.495 127.413 122.820 0.164 0.000 1.933 525 A HA -0.105 4.215 4.320 -0.001 0.000 0.218 525 A C 0.707 178.319 177.584 0.047 0.000 1.175 525 A CA 1.497 53.621 52.037 0.146 0.000 0.628 525 A CB -0.074 19.070 19.000 0.240 0.000 0.814 525 A HN 0.674 nan 8.150 nan 0.000 0.444 526 D N -2.817 117.589 120.400 0.010 0.000 2.602 526 D HA 0.365 5.005 4.640 -0.001 0.000 0.245 526 D C -2.508 173.697 176.300 -0.157 0.000 1.325 526 D CA -1.910 52.024 54.000 -0.111 0.000 0.952 526 D CB 1.591 42.240 40.800 -0.252 0.000 1.317 526 D HN -0.146 nan 8.370 nan 0.000 0.577 527 P HA -0.088 nan 4.420 nan 0.000 0.219 527 P C 0.830 177.912 177.300 -0.364 0.000 1.146 527 P CA 1.042 63.857 63.100 -0.474 0.000 0.808 527 P CB 0.350 31.422 31.700 -1.047 0.000 0.779 528 K N -1.049 119.178 120.400 -0.288 0.000 2.400 528 K HA 0.099 4.419 4.320 -0.001 0.000 0.194 528 K C 0.641 177.053 176.600 -0.312 0.000 1.033 528 K CA 0.416 56.564 56.287 -0.231 0.000 1.021 528 K CB 0.302 32.703 32.500 -0.165 0.000 0.808 528 K HN 0.151 nan 8.250 nan 0.000 0.505 529 R N 1.361 121.616 120.500 -0.408 0.000 2.653 529 R HA 0.135 4.475 4.340 -0.001 0.000 0.269 529 R C -2.593 173.340 176.300 -0.611 0.000 1.603 529 R CA -1.173 54.403 56.100 -0.874 0.000 1.671 529 R CB 1.081 31.114 30.300 -0.445 0.000 1.300 529 R HN -0.081 nan 8.270 nan 0.000 0.668 530 P HA -0.016 nan 4.420 nan 0.000 0.226 530 P C 1.057 178.403 177.300 0.076 0.000 1.783 530 P CA 0.101 63.155 63.100 -0.076 0.000 0.980 530 P CB 0.542 32.232 31.700 -0.018 0.000 1.967 531 V N 1.894 121.854 119.914 0.077 0.000 2.453 531 V HA -0.291 3.829 4.120 -0.001 0.000 0.252 531 V C 1.908 177.943 176.094 -0.098 0.000 1.068 531 V CA 2.200 64.552 62.300 0.086 0.000 1.070 531 V CB -0.623 31.131 31.823 -0.114 0.000 0.664 531 V HN 0.187 nan 8.190 nan 0.000 0.461 532 E N 0.232 120.442 120.200 0.016 0.000 2.110 532 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 532 E C 1.971 178.697 176.600 0.211 0.000 0.988 532 E CA 1.837 58.356 56.400 0.197 0.000 0.804 532 E CB -0.313 29.631 29.700 0.405 0.000 0.745 532 E HN 0.686 nan 8.360 nan 0.000 0.458 533 I N 0.580 121.228 120.570 0.131 0.000 2.179 533 I HA -0.279 3.890 4.170 -0.001 0.000 0.242 533 I C 2.171 178.297 176.117 0.015 0.000 1.088 533 I CA 1.058 62.421 61.300 0.104 0.000 1.357 533 I CB -0.348 37.706 38.000 0.091 0.000 1.051 533 I HN 0.109 nan 8.210 nan 0.000 0.409 534 L N 0.224 121.409 121.223 -0.062 0.000 2.042 534 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 534 L C 2.797 179.518 176.870 -0.248 0.000 1.076 534 L CA 1.476 56.150 54.840 -0.276 0.000 0.749 534 L CB -0.689 41.255 42.059 -0.191 0.000 0.893 534 L HN 0.213 nan 8.230 nan 0.000 0.432 535 R N -0.686 119.662 120.500 -0.253 0.000 2.083 535 R HA -0.146 4.194 4.340 -0.001 0.000 0.237 535 R C 2.353 178.718 176.300 0.109 0.000 1.137 535 R CA 2.029 57.927 56.100 -0.337 0.000 0.951 535 R CB -0.578 28.997 30.300 -1.208 0.000 0.851 535 R HN 0.301 nan 8.270 nan 0.000 0.434 536 T N 0.372 115.043 114.554 0.195 0.000 2.770 536 T HA -0.064 4.286 4.350 -0.001 0.000 0.263 536 T C 1.961 176.874 174.700 0.354 0.000 1.039 536 T CA 1.215 63.530 62.100 0.359 0.000 1.142 536 T CB -0.074 69.041 68.868 0.411 0.000 0.868 536 T HN -0.023 nan 8.240 nan 0.000 0.435 537 V N 1.149 121.181 119.914 0.195 0.000 2.287 537 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 537 V C 2.147 178.366 176.094 0.209 0.000 1.053 537 V CA 1.872 64.269 62.300 0.161 0.000 1.027 537 V CB -0.782 31.032 31.823 -0.014 0.000 0.646 537 V HN 0.656 nan 8.190 nan 0.000 0.447 538 H N -0.236 118.897 119.070 0.104 0.000 2.421 538 H HA -0.064 4.491 4.556 -0.001 0.000 0.298 538 H C 2.291 177.525 175.328 -0.158 0.000 1.087 538 H CA 0.941 56.970 56.048 -0.032 0.000 1.330 538 H CB -0.089 29.567 29.762 -0.177 0.000 1.388 538 H HN 0.473 nan 8.280 nan 0.000 0.526 539 A N 0.607 123.442 122.820 0.024 0.000 1.978 539 A HA -0.173 4.147 4.320 -0.001 0.000 0.220 539 A C 1.701 179.272 177.584 -0.021 0.000 1.170 539 A CA 1.203 53.269 52.037 0.049 0.000 0.636 539 A CB -0.760 18.370 19.000 0.217 0.000 0.810 539 A HN 0.356 nan 8.150 nan 0.000 0.448 540 F N -0.608 119.380 119.950 0.065 0.000 2.748 540 F HA 0.052 4.578 4.527 -0.001 0.000 0.299 540 F C 0.732 176.529 175.800 -0.005 0.000 1.154 540 F CA 0.809 58.841 58.000 0.052 0.000 1.446 540 F CB 0.080 39.134 39.000 0.091 0.000 1.112 540 F HN 0.268 nan 8.300 nan 0.000 0.584 541 D N 0.219 120.678 120.400 0.099 0.000 2.746 541 D HA -0.144 4.496 4.640 -0.001 0.000 0.241 541 D C -2.578 173.796 176.300 0.123 0.000 1.140 541 D CA -0.107 53.862 54.000 -0.053 0.000 0.707 541 D CB -0.477 40.100 40.800 -0.372 0.000 1.034 541 D HN 0.086 nan 8.370 nan 0.000 0.423 542 P HA 0.193 nan 4.420 nan 0.000 0.271 542 P C -0.314 177.085 177.300 0.165 0.000 1.216 542 P CA -0.428 62.782 63.100 0.183 0.000 0.776 542 P CB 0.978 32.786 31.700 0.181 0.000 0.881 543 C N 4.434 123.831 119.300 0.161 0.000 2.660 543 C HA 0.256 4.716 4.460 -0.001 0.000 0.336 543 C C 1.576 176.664 174.990 0.163 0.000 1.058 543 C CA -0.343 58.769 59.018 0.156 0.000 1.368 543 C CB -0.276 27.567 27.740 0.172 0.000 1.884 543 C HN 0.538 nan 8.230 nan 0.000 0.454 544 I N 1.803 122.456 120.570 0.138 0.000 2.500 544 I HA -0.025 4.145 4.170 -0.001 0.000 0.252 544 I C 2.498 178.710 176.117 0.157 0.000 1.142 544 I CA 1.334 62.728 61.300 0.157 0.000 1.451 544 I CB -1.561 36.535 38.000 0.160 0.000 1.093 544 I HN 0.694 nan 8.210 nan 0.000 0.430 545 A N 0.588 123.485 122.820 0.128 0.000 1.883 545 A HA -0.244 4.076 4.320 -0.001 0.000 0.217 545 A C 2.637 180.319 177.584 0.163 0.000 1.186 545 A CA 2.016 54.124 52.037 0.119 0.000 0.624 545 A CB -1.300 17.760 19.000 0.099 0.000 0.822 545 A HN 0.474 nan 8.150 nan 0.000 0.444 546 C N -1.136 118.293 119.300 0.214 0.000 2.398 546 C HA -0.063 4.397 4.460 -0.001 0.000 0.276 546 C C 3.032 178.251 174.990 0.381 0.000 1.222 546 C CA 1.012 60.218 59.018 0.313 0.000 1.746 546 C CB -1.603 26.343 27.740 0.344 0.000 2.039 546 C HN 0.717 nan 8.230 nan 0.000 0.470 547 G N -0.792 108.182 108.800 0.291 0.000 2.422 547 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.218 547 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.218 547 G C 1.579 176.594 174.900 0.192 0.000 1.146 547 G CA 1.458 46.720 45.100 0.270 0.000 0.769 547 G HN 0.443 nan 8.290 nan 0.000 0.547 548 V N 1.264 121.233 119.914 0.090 0.000 2.672 548 V HA 0.132 4.251 4.120 -0.001 0.000 0.242 548 V C 1.144 176.860 176.094 -0.630 0.000 1.059 548 V CA 0.696 62.936 62.300 -0.099 0.000 1.081 548 V CB -0.665 31.252 31.823 0.157 0.000 0.752 548 V HN 0.765 nan 8.190 nan 0.000 0.472 549 H N 0.000 119.079 119.070 0.015 0.000 2.539 549 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 549 H CA 0.000 55.985 56.048 -0.105 0.000 1.023 549 H CB 0.000 29.708 29.762 -0.090 0.000 1.292 549 H HN 0.000 nan 8.280 nan 0.000 0.496