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 1ghd_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNSWAVAPGK TANGNALLLQ NPHLSWTTDY FTYYEAHLVT PDFEIYGATQ DATA SEQUENCE IGLPVIRFAF NQRXGITNTV NGXVGATNYR LTLQDGGYLY DGQVRPFERR DATA SEQUENCE QASYRLRQAD GTTVDKPLEI RSSVHGPVFE RADGTAVAVR VAGLDRPGXL DATA SEQUENCE EQYFDXITAD SFDDYEAALA RXQVPTFNIV YADREGTINY SFNGVAPKRA DATA SEQUENCE EGDIAFWQGL VPGDSSRYLW TETHPLDDLP RVTNPPGGFV QNSNDPPWTP DATA SEQUENCE TWPVTYTPKD FPSYLAPQTP HSLRAQQSVR LXSENDDLTL ERFXALQLSH DATA SEQUENCE RAVXADRTLP DLIPAALIDP DPEVQAAARL LAAWDREFTS DSRAALLFEE DATA SEQUENCE WARLFAGQNF AGQAGFATPW SLDKPVSTPY GVRDPKAAVD QLRTAIANTK DATA SEQUENCE RKYGAIDRPF GDASRXILND VNVPGAAGYG NLGSFRVFTW SDPDENGVRT DATA SEQUENCE PVHGETWVAX IEFSTPVRAY GLXSYGNSRQ PGTTHYSDQI ERVSRADFRE DATA SEQUENCE LLLRREQVEA AVQERTPFNF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.326 174.600 -0.457 0.000 1.055 1 S CA 0.000 57.985 58.200 -0.359 0.000 1.107 1 S CB 0.000 63.035 63.200 -0.275 0.000 0.593 2 N N 1.218 119.557 118.700 -0.602 0.000 2.238 2 N HA 0.677 5.420 4.740 0.005 0.000 0.302 2 N C -1.423 173.931 175.510 -0.260 0.000 1.072 2 N CA -0.320 52.439 53.050 -0.485 0.000 0.792 2 N CB 2.045 40.004 38.487 -0.880 0.000 1.425 2 N HN 0.220 nan 8.380 nan 0.000 0.478 3 S N 0.513 116.165 115.700 -0.080 0.000 2.543 3 S HA 0.614 5.087 4.470 0.005 0.000 0.271 3 S C -1.889 172.919 174.600 0.347 0.000 1.148 3 S CA -0.907 57.364 58.200 0.118 0.000 0.914 3 S CB 1.309 64.636 63.200 0.211 0.000 1.096 3 S HN 0.472 nan 8.310 nan 0.000 0.471 4 W N 0.728 122.179 121.300 0.250 0.000 3.256 4 W HA 0.783 5.446 4.660 0.005 0.000 0.324 4 W C -0.772 175.949 176.519 0.337 0.000 1.196 4 W CA -1.153 56.375 57.345 0.305 0.000 1.206 4 W CB 2.075 31.712 29.460 0.295 0.000 1.385 4 W HN 1.125 nan 8.180 nan 0.000 0.522 5 A N 2.429 125.554 122.820 0.508 0.000 2.408 5 A HA 0.753 5.076 4.320 0.005 0.000 0.295 5 A C -1.299 176.424 177.584 0.231 0.000 1.040 5 A CA -0.659 51.569 52.037 0.318 0.000 0.707 5 A CB 1.382 20.530 19.000 0.247 0.000 1.235 5 A HN 0.875 nan 8.150 nan 0.000 0.418 6 V N 0.498 120.466 119.914 0.089 0.000 2.604 6 V HA 0.935 5.058 4.120 0.005 0.000 0.305 6 V C 0.291 176.379 176.094 -0.010 0.000 1.043 6 V CA -0.258 62.066 62.300 0.040 0.000 0.888 6 V CB 1.161 32.941 31.823 -0.072 0.000 0.995 6 V HN 1.879 nan 8.190 nan 0.000 0.429 7 A N 5.210 128.037 122.820 0.012 0.000 2.371 7 A HA 0.693 5.016 4.320 0.005 0.000 0.257 7 A C -1.184 176.380 177.584 -0.032 0.000 1.089 7 A CA -1.195 50.833 52.037 -0.016 0.000 0.794 7 A CB 0.170 19.166 19.000 -0.008 0.000 1.029 7 A HN 0.812 nan 8.150 nan 0.000 0.488 8 P HA -0.253 nan 4.420 nan 0.000 0.219 8 P C 1.699 178.978 177.300 -0.036 0.000 1.161 8 P CA 2.436 65.513 63.100 -0.037 0.000 0.909 8 P CB -0.008 31.675 31.700 -0.028 0.000 0.793 9 G N -0.380 108.405 108.800 -0.026 0.000 2.517 9 G HA2 -0.322 3.641 3.960 0.005 0.000 0.222 9 G HA3 -0.322 3.641 3.960 0.005 0.000 0.222 9 G C 1.416 176.302 174.900 -0.023 0.000 1.109 9 G CA 1.182 46.270 45.100 -0.021 0.000 0.746 9 G HN 0.370 nan 8.290 nan 0.000 0.576 10 K N 0.550 120.934 120.400 -0.026 0.000 2.387 10 K HA 0.129 4.452 4.320 0.005 0.000 0.198 10 K C 0.577 177.138 176.600 -0.064 0.000 1.022 10 K CA 0.385 56.651 56.287 -0.035 0.000 1.128 10 K CB 0.149 32.640 32.500 -0.014 0.000 0.853 10 K HN 0.353 nan 8.250 nan 0.000 0.523 11 T N -4.020 110.493 114.554 -0.068 0.000 2.940 11 T HA 0.584 4.937 4.350 0.005 0.000 0.288 11 T C 1.073 175.734 174.700 -0.065 0.000 1.033 11 T CA -0.555 61.494 62.100 -0.085 0.000 1.033 11 T CB 1.870 70.676 68.868 -0.104 0.000 1.079 11 T HN 0.003 nan 8.240 nan 0.000 0.496 12 A N 1.797 124.578 122.820 -0.066 0.000 1.854 12 A HA 0.004 4.327 4.320 0.005 0.000 0.214 12 A C 2.102 179.660 177.584 -0.044 0.000 1.192 12 A CA 0.977 52.983 52.037 -0.051 0.000 0.611 12 A CB -0.945 18.026 19.000 -0.049 0.000 0.832 12 A HN 0.799 nan 8.150 nan 0.000 0.442 13 N N -0.847 117.824 118.700 -0.049 0.000 2.494 13 N HA 0.111 4.854 4.740 0.005 0.000 0.182 13 N C 1.164 176.652 175.510 -0.036 0.000 1.076 13 N CA 1.213 54.239 53.050 -0.040 0.000 0.908 13 N CB 0.128 38.588 38.487 -0.044 0.000 0.967 13 N HN 0.739 nan 8.380 nan 0.000 0.449 14 G N 0.152 108.927 108.800 -0.041 0.000 2.141 14 G HA2 -0.225 3.738 3.960 0.005 0.000 0.231 14 G HA3 -0.225 3.738 3.960 0.005 0.000 0.231 14 G C -0.391 174.492 174.900 -0.029 0.000 0.984 14 G CA -0.367 44.713 45.100 -0.033 0.000 0.660 14 G HN 0.293 nan 8.290 nan 0.000 0.525 15 N N 0.681 119.358 118.700 -0.037 0.000 2.372 15 N HA 0.659 5.402 4.740 0.005 0.000 0.291 15 N C 0.458 175.949 175.510 -0.033 0.000 1.024 15 N CA 0.323 53.363 53.050 -0.017 0.000 0.873 15 N CB 1.819 40.295 38.487 -0.019 0.000 1.206 15 N HN 0.624 nan 8.380 nan 0.000 0.486 16 A N 2.107 124.935 122.820 0.013 0.000 2.448 16 A HA 0.430 4.753 4.320 0.005 0.000 0.239 16 A C -0.021 177.574 177.584 0.017 0.000 1.080 16 A CA 0.135 52.174 52.037 0.002 0.000 0.779 16 A CB 0.103 19.100 19.000 -0.005 0.000 1.026 16 A HN 0.653 nan 8.150 nan 0.000 0.499 17 L N 1.094 122.247 121.223 -0.117 0.000 2.370 17 L HA 0.624 4.967 4.340 0.005 0.000 0.266 17 L C -0.550 176.270 176.870 -0.084 0.000 1.002 17 L CA -0.445 54.199 54.840 -0.327 0.000 0.818 17 L CB 1.728 43.169 42.059 -1.030 0.000 1.325 17 L HN 0.610 nan 8.230 nan 0.000 0.418 18 L N 2.949 124.220 121.223 0.079 0.000 2.401 18 L HA 0.580 4.923 4.340 0.005 0.000 0.266 18 L C -1.577 175.569 176.870 0.461 0.000 0.991 18 L CA -0.826 54.205 54.840 0.318 0.000 0.818 18 L CB 2.706 44.944 42.059 0.298 0.000 1.321 18 L HN 0.428 nan 8.230 nan 0.000 0.413 19 L N 3.420 124.923 121.223 0.467 0.000 2.333 19 L HA 0.448 4.791 4.340 0.005 0.000 0.280 19 L C -0.982 175.956 176.870 0.114 0.000 1.004 19 L CA 0.051 55.021 54.840 0.217 0.000 0.820 19 L CB 1.813 43.916 42.059 0.074 0.000 1.247 19 L HN 0.556 nan 8.230 nan 0.000 0.416 20 Q N 4.077 123.888 119.800 0.017 0.000 2.333 20 Q HA 0.436 4.779 4.340 0.005 0.000 0.265 20 Q C -0.704 175.174 176.000 -0.202 0.000 0.989 20 Q CA -0.358 55.495 55.803 0.084 0.000 0.842 20 Q CB 1.435 30.352 28.738 0.300 0.000 1.262 20 Q HN 0.555 nan 8.270 nan 0.000 0.451 21 N N 2.778 121.347 118.700 -0.218 0.000 2.639 21 N HA 0.169 4.912 4.740 0.005 0.000 0.265 21 N C -2.846 172.380 175.510 -0.473 0.000 1.689 21 N CA -1.444 51.371 53.050 -0.392 0.000 0.813 21 N CB 1.071 39.287 38.487 -0.453 0.000 1.353 21 N HN 0.312 nan 8.380 nan 0.000 0.510 22 P HA 0.131 nan 4.420 nan 0.000 0.271 22 P C -0.837 176.333 177.300 -0.216 0.000 1.216 22 P CA 0.333 63.211 63.100 -0.370 0.000 0.776 22 P CB 0.803 32.142 31.700 -0.601 0.000 0.881 23 H N 2.132 121.111 119.070 -0.152 0.000 2.551 23 H HA 0.585 5.144 4.556 0.005 0.000 0.321 23 H C 0.008 175.179 175.328 -0.261 0.000 1.028 23 H CA -0.777 55.097 56.048 -0.291 0.000 1.215 23 H CB 1.130 30.705 29.762 -0.312 0.000 1.414 23 H HN 0.275 nan 8.280 nan 0.000 0.480 24 L N 1.018 122.151 121.223 -0.150 0.000 2.600 24 L HA 0.231 4.574 4.340 0.005 0.000 0.257 24 L C 0.017 177.015 176.870 0.212 0.000 1.048 24 L CA -0.991 53.853 54.840 0.006 0.000 0.869 24 L CB 2.379 44.384 42.059 -0.091 0.000 1.482 24 L HN 0.481 nan 8.230 nan 0.000 0.408 25 S N -0.350 115.572 115.700 0.369 0.000 2.561 25 S HA -0.070 4.403 4.470 0.005 0.000 0.294 25 S C 0.172 175.074 174.600 0.503 0.000 1.294 25 S CA 0.345 58.799 58.200 0.424 0.000 1.055 25 S CB 0.217 63.643 63.200 0.377 0.000 0.819 25 S HN 0.472 nan 8.310 nan 0.000 0.503 26 W N 2.481 123.906 121.300 0.208 0.000 3.003 26 W HA 0.150 4.814 4.660 0.005 0.000 0.257 26 W C 2.384 178.953 176.519 0.083 0.000 1.308 26 W CA 0.673 58.186 57.345 0.280 0.000 1.529 26 W CB -0.840 28.790 29.460 0.282 0.000 1.115 26 W HN 0.968 nan 8.180 nan 0.000 0.659 27 T N -5.424 109.281 114.554 0.251 0.000 3.058 27 T HA 0.057 4.410 4.350 0.005 0.000 0.247 27 T C 1.199 175.868 174.700 -0.052 0.000 0.987 27 T CA 0.661 62.809 62.100 0.080 0.000 1.062 27 T CB -0.623 68.301 68.868 0.093 0.000 1.048 27 T HN -0.109 nan 8.240 nan 0.000 0.468 28 T N 3.008 117.520 114.554 -0.071 0.000 2.905 28 T HA 0.063 4.416 4.350 0.005 0.000 0.299 28 T C 1.090 175.548 174.700 -0.403 0.000 1.024 28 T CA 0.387 62.296 62.100 -0.318 0.000 1.151 28 T CB 0.521 69.060 68.868 -0.547 0.000 0.987 28 T HN 0.427 nan 8.240 nan 0.000 0.535 29 D N 3.867 124.018 120.400 -0.415 0.000 2.097 29 D HA -0.234 4.409 4.640 0.005 0.000 0.195 29 D C 1.702 177.852 176.300 -0.250 0.000 0.989 29 D CA 2.022 55.848 54.000 -0.290 0.000 0.827 29 D CB -1.079 39.610 40.800 -0.185 0.000 0.966 29 D HN 0.950 nan 8.370 nan 0.000 0.456 30 Y N -1.696 118.493 120.300 -0.186 0.000 2.639 30 Y HA 0.180 4.733 4.550 0.005 0.000 0.297 30 Y C 1.706 177.587 175.900 -0.032 0.000 1.151 30 Y CA 0.058 58.064 58.100 -0.156 0.000 1.335 30 Y CB -1.085 37.242 38.460 -0.221 0.000 0.994 30 Y HN -0.046 nan 8.280 nan 0.000 0.548 31 F N 0.298 120.104 119.950 -0.239 0.000 2.727 31 F HA 0.148 4.678 4.527 0.005 0.000 0.302 31 F C 0.701 176.268 175.800 -0.388 0.000 1.097 31 F CA -0.552 57.313 58.000 -0.224 0.000 1.330 31 F CB 0.319 39.213 39.000 -0.176 0.000 1.084 31 F HN -0.121 nan 8.300 nan 0.000 0.578 32 T N 0.782 115.247 114.554 -0.147 0.000 2.870 32 T HA 0.062 4.415 4.350 0.005 0.000 0.300 32 T C -0.548 174.060 174.700 -0.152 0.000 0.989 32 T CA 0.371 62.334 62.100 -0.227 0.000 1.139 32 T CB 0.246 68.960 68.868 -0.258 0.000 0.920 32 T HN 0.011 nan 8.240 nan 0.000 0.537 33 Y N 1.611 122.027 120.300 0.192 0.000 2.376 33 Y HA 0.520 5.073 4.550 0.005 0.000 0.325 33 Y C -0.180 175.843 175.900 0.206 0.000 1.199 33 Y CA -0.892 57.306 58.100 0.163 0.000 1.206 33 Y CB 1.095 39.618 38.460 0.105 0.000 1.229 33 Y HN 0.614 nan 8.280 nan 0.000 0.480 34 Y N 1.663 122.027 120.300 0.108 0.000 2.504 34 Y HA 0.321 4.874 4.550 0.005 0.000 0.344 34 Y C -1.166 174.630 175.900 -0.173 0.000 1.023 34 Y CA -1.525 56.568 58.100 -0.011 0.000 1.020 34 Y CB 1.630 40.072 38.460 -0.031 0.000 1.282 34 Y HN 0.672 nan 8.280 nan 0.000 0.454 35 E N 4.577 124.389 120.200 -0.646 0.000 2.191 35 E HA 0.836 5.189 4.350 0.005 0.000 0.274 35 E C -1.672 174.351 176.600 -0.961 0.000 0.948 35 E CA -0.709 55.218 56.400 -0.790 0.000 0.802 35 E CB 1.523 30.855 29.700 -0.614 0.000 1.137 35 E HN 0.902 nan 8.360 nan 0.000 0.397 36 A N 3.735 126.059 122.820 -0.827 0.000 2.588 36 A HA 0.441 4.764 4.320 0.005 0.000 0.290 36 A C -1.867 175.282 177.584 -0.725 0.000 1.136 36 A CA -0.645 50.983 52.037 -0.680 0.000 0.681 36 A CB 1.569 20.294 19.000 -0.458 0.000 1.282 36 A HN 0.823 nan 8.150 nan 0.000 0.421 37 H N 0.446 119.166 119.070 -0.585 0.000 2.924 37 H HA 0.589 5.148 4.556 0.005 0.000 0.333 37 H C -2.063 173.171 175.328 -0.157 0.000 0.979 37 H CA -0.685 55.099 56.048 -0.440 0.000 1.326 37 H CB 0.840 30.403 29.762 -0.331 0.000 1.600 37 H HN 0.424 nan 8.280 nan 0.000 0.520 38 L N 5.895 127.126 121.223 0.015 0.000 2.313 38 L HA 0.377 4.720 4.340 0.005 0.000 0.283 38 L C -0.647 176.186 176.870 -0.062 0.000 1.013 38 L CA -0.645 54.186 54.840 -0.014 0.000 0.816 38 L CB 1.676 43.847 42.059 0.188 0.000 1.236 38 L HN 0.384 nan 8.230 nan 0.000 0.419 39 V N 2.394 122.169 119.914 -0.231 0.000 2.540 39 V HA 0.747 4.870 4.120 0.005 0.000 0.302 39 V C -0.055 175.852 176.094 -0.312 0.000 1.035 39 V CA -0.280 61.865 62.300 -0.259 0.000 0.873 39 V CB 2.182 33.850 31.823 -0.258 0.000 0.992 39 V HN 0.834 nan 8.190 nan 0.000 0.428 40 T N 5.226 119.495 114.554 -0.475 0.000 2.865 40 T HA 0.436 4.789 4.350 0.005 0.000 0.294 40 T C -2.088 172.435 174.700 -0.295 0.000 1.119 40 T CA -1.029 60.790 62.100 -0.469 0.000 1.007 40 T CB 2.260 70.557 68.868 -0.952 0.000 1.225 40 T HN 0.407 nan 8.240 nan 0.000 0.515 41 P HA 0.015 nan 4.420 nan 0.000 0.220 41 P C 0.475 177.750 177.300 -0.041 0.000 1.148 41 P CA 0.991 64.044 63.100 -0.077 0.000 0.803 41 P CB 0.248 31.924 31.700 -0.039 0.000 0.782 42 D N -2.143 118.230 120.400 -0.045 0.000 2.407 42 D HA 0.155 4.798 4.640 0.005 0.000 0.208 42 D C 0.502 176.914 176.300 0.186 0.000 1.083 42 D CA 0.343 54.389 54.000 0.077 0.000 0.844 42 D CB 0.426 41.318 40.800 0.154 0.000 0.967 42 D HN 0.256 nan 8.370 nan 0.000 0.506 43 F N -0.295 119.696 119.950 0.069 0.000 2.817 43 F HA 0.601 5.131 4.527 0.005 0.000 0.317 43 F C -1.789 174.060 175.800 0.082 0.000 1.168 43 F CA -1.270 56.769 58.000 0.065 0.000 0.911 43 F CB 1.630 40.660 39.000 0.050 0.000 1.337 43 F HN -0.278 nan 8.300 nan 0.000 0.464 44 E N 1.775 122.284 120.200 0.516 0.000 2.388 44 E HA 0.654 5.007 4.350 0.005 0.000 0.289 44 E C -2.022 174.812 176.600 0.390 0.000 0.944 44 E CA -0.818 55.811 56.400 0.383 0.000 0.792 44 E CB 2.702 32.551 29.700 0.249 0.000 1.239 44 E HN 0.956 nan 8.360 nan 0.000 0.412 45 I N 0.953 121.746 120.570 0.373 0.000 2.752 45 I HA 0.584 4.757 4.170 0.005 0.000 0.295 45 I C -1.844 174.354 176.117 0.136 0.000 1.219 45 I CA -1.027 60.396 61.300 0.206 0.000 1.030 45 I CB 1.870 39.964 38.000 0.158 0.000 1.259 45 I HN 0.607 nan 8.210 nan 0.000 0.423 46 Y N 3.613 123.747 120.300 -0.277 0.000 2.485 46 Y HA 0.879 5.432 4.550 0.005 0.000 0.345 46 Y C 0.156 175.745 175.900 -0.519 0.000 0.998 46 Y CA 0.391 58.193 58.100 -0.498 0.000 1.059 46 Y CB 2.272 40.146 38.460 -0.976 0.000 1.234 46 Y HN 1.110 nan 8.280 nan 0.000 0.461 47 G N 1.530 110.099 108.800 -0.384 0.000 2.343 47 G HA2 0.480 4.443 3.960 0.005 0.000 0.289 47 G HA3 0.480 4.443 3.960 0.005 0.000 0.289 47 G C -2.179 172.347 174.900 -0.623 0.000 1.295 47 G CA -0.352 44.595 45.100 -0.256 0.000 0.869 47 G HN 0.972 nan 8.290 nan 0.000 0.522 48 A N -1.117 121.268 122.820 -0.724 0.000 2.356 48 A HA 0.989 5.312 4.320 0.005 0.000 0.323 48 A C -0.066 177.442 177.584 -0.127 0.000 1.119 48 A CA 0.150 51.750 52.037 -0.729 0.000 0.790 48 A CB 2.118 20.251 19.000 -1.445 0.000 1.273 48 A HN 1.718 nan 8.150 nan 0.000 0.452 49 T N 0.058 114.666 114.554 0.091 0.000 2.802 49 T HA 0.405 4.758 4.350 0.005 0.000 0.311 49 T C -1.677 173.204 174.700 0.301 0.000 1.405 49 T CA -0.621 61.631 62.100 0.253 0.000 1.016 49 T CB 1.326 70.239 68.868 0.075 0.000 1.352 49 T HN 0.766 nan 8.240 nan 0.000 0.498 50 Q N 2.890 122.810 119.800 0.201 0.000 2.286 50 Q HA 0.379 4.722 4.340 0.005 0.000 0.257 50 Q C 0.652 176.681 176.000 0.049 0.000 0.941 50 Q CA -0.502 55.336 55.803 0.059 0.000 0.912 50 Q CB 0.467 29.224 28.738 0.032 0.000 1.192 50 Q HN 0.838 nan 8.270 nan 0.000 0.410 51 I N -1.387 119.190 120.570 0.011 0.000 2.996 51 I HA 0.146 4.319 4.170 0.005 0.000 0.311 51 I C 1.045 177.142 176.117 -0.034 0.000 1.219 51 I CA 1.125 62.400 61.300 -0.042 0.000 1.452 51 I CB -0.291 37.645 38.000 -0.108 0.000 1.319 51 I HN 0.927 nan 8.210 nan 0.000 0.564 52 G N 4.642 113.409 108.800 -0.055 0.000 2.213 52 G HA2 -0.216 3.747 3.960 0.005 0.000 0.236 52 G HA3 -0.216 3.747 3.960 0.005 0.000 0.236 52 G C 0.040 174.920 174.900 -0.032 0.000 0.991 52 G CA 0.037 45.108 45.100 -0.048 0.000 0.629 52 G HN 0.661 nan 8.290 nan 0.000 0.517 53 L N 2.071 123.285 121.223 -0.015 0.000 2.276 53 L HA 0.365 4.707 4.340 0.005 0.000 0.286 53 L C -0.403 176.450 176.870 -0.028 0.000 1.061 53 L CA -1.716 53.113 54.840 -0.018 0.000 0.807 53 L CB 1.401 43.452 42.059 -0.012 0.000 1.177 53 L HN -0.025 nan 8.230 nan 0.000 0.429 54 P HA -0.007 nan 4.420 nan 0.000 0.237 54 P C -0.022 177.238 177.300 -0.066 0.000 1.178 54 P CA 0.579 63.639 63.100 -0.068 0.000 0.766 54 P CB 0.427 32.072 31.700 -0.092 0.000 0.876 55 V N 0.572 120.461 119.914 -0.041 0.000 2.876 55 V HA 0.317 4.440 4.120 0.005 0.000 0.312 55 V C 0.318 176.395 176.094 -0.029 0.000 1.085 55 V CA -1.056 61.239 62.300 -0.009 0.000 0.945 55 V CB 2.664 34.511 31.823 0.039 0.000 1.017 55 V HN -0.188 nan 8.190 nan 0.000 0.428 56 I N 3.620 124.189 120.570 -0.002 0.000 2.379 56 I HA 0.305 4.478 4.170 0.005 0.000 0.290 56 I C 1.429 177.500 176.117 -0.077 0.000 1.063 56 I CA 0.000 61.282 61.300 -0.030 0.000 1.351 56 I CB 0.670 38.655 38.000 -0.025 0.000 1.410 56 I HN 0.649 nan 8.210 nan 0.000 0.505 57 R N 4.251 124.648 120.500 -0.172 0.000 2.093 57 R HA 0.064 4.407 4.340 0.005 0.000 0.224 57 R C -0.124 175.972 176.300 -0.340 0.000 1.101 57 R CA 1.050 56.881 56.100 -0.447 0.000 0.979 57 R CB 0.060 29.965 30.300 -0.658 0.000 0.877 57 R HN 0.365 nan 8.270 nan 0.000 0.441 58 F N 1.004 120.929 119.950 -0.041 0.000 2.309 58 F HA 0.439 4.969 4.527 0.005 0.000 0.366 58 F C 0.197 176.073 175.800 0.127 0.000 1.104 58 F CA -0.751 57.297 58.000 0.081 0.000 1.179 58 F CB 1.082 40.130 39.000 0.079 0.000 1.437 58 F HN -0.032 nan 8.300 nan 0.000 0.528 59 A N 3.475 126.459 122.820 0.272 0.000 2.430 59 A HA 0.981 5.304 4.320 0.005 0.000 0.300 59 A C -1.186 176.624 177.584 0.377 0.000 1.124 59 A CA -0.625 51.550 52.037 0.230 0.000 0.766 59 A CB 1.822 20.894 19.000 0.120 0.000 1.328 59 A HN 0.624 nan 8.150 nan 0.000 0.424 60 F N -0.887 119.211 119.950 0.247 0.000 2.817 60 F HA 0.722 5.252 4.527 0.005 0.000 0.317 60 F C -0.668 175.272 175.800 0.233 0.000 1.168 60 F CA -0.602 57.552 58.000 0.257 0.000 0.911 60 F CB 1.071 40.242 39.000 0.285 0.000 1.337 60 F HN 0.890 nan 8.300 nan 0.000 0.464 61 N N -0.974 118.048 118.700 0.536 0.000 3.575 61 N HA 0.136 4.879 4.740 0.005 0.000 0.343 61 N C -0.610 175.140 175.510 0.399 0.000 1.574 61 N CA -0.792 52.461 53.050 0.338 0.000 0.832 61 N CB 0.753 39.381 38.487 0.235 0.000 2.151 61 N HN 0.577 nan 8.380 nan 0.000 0.552 62 Q N -0.111 119.850 119.800 0.268 0.000 2.369 62 Q HA 0.136 4.479 4.340 0.005 0.000 0.206 62 Q C 0.444 176.613 176.000 0.280 0.000 0.963 62 Q CA 1.068 57.011 55.803 0.232 0.000 0.894 62 Q CB 0.119 28.949 28.738 0.152 0.000 0.965 62 Q HN 0.327 nan 8.270 nan 0.000 0.475 66 I N -2.800 117.862 120.570 0.154 0.000 3.279 66 I HA 0.966 5.139 4.170 0.005 0.000 0.315 66 I C -0.571 175.655 176.117 0.181 0.000 1.225 66 I CA -1.090 60.292 61.300 0.136 0.000 0.947 66 I CB 2.263 40.372 38.000 0.182 0.000 1.293 66 I HN 0.598 nan 8.210 nan 0.000 0.468 67 T N 0.938 115.575 114.554 0.138 0.000 2.821 67 T HA 0.467 4.820 4.350 0.005 0.000 0.306 67 T C -1.225 173.463 174.700 -0.020 0.000 1.313 67 T CA -0.897 61.259 62.100 0.093 0.000 1.012 67 T CB 1.817 70.860 68.868 0.292 0.000 1.298 67 T HN 0.729 nan 8.240 nan 0.000 0.502 68 N N 0.910 119.503 118.700 -0.178 0.000 2.380 68 N HA 0.785 5.528 4.740 0.005 0.000 0.290 68 N C -1.079 174.505 175.510 0.123 0.000 1.236 68 N CA -0.742 52.228 53.050 -0.133 0.000 0.780 68 N CB 2.529 40.662 38.487 -0.591 0.000 1.438 68 N HN 0.839 nan 8.380 nan 0.000 0.491 69 T N -3.205 111.441 114.554 0.153 0.000 2.932 69 T HA 0.287 4.640 4.350 0.005 0.000 0.318 69 T C -0.618 174.242 174.700 0.267 0.000 1.265 69 T CA -0.667 61.543 62.100 0.183 0.000 1.036 69 T CB 0.891 69.843 68.868 0.139 0.000 1.209 69 T HN 0.096 nan 8.240 nan 0.000 0.484 70 V N 4.034 124.098 119.914 0.250 0.000 2.529 70 V HA 0.168 4.291 4.120 0.005 0.000 0.292 70 V C 1.201 177.361 176.094 0.110 0.000 1.028 70 V CA 0.185 62.629 62.300 0.239 0.000 1.074 70 V CB 0.132 32.061 31.823 0.177 0.000 0.958 70 V HN 1.032 nan 8.190 nan 0.000 0.481 71 N N 3.839 122.538 118.700 -0.002 0.000 2.250 71 N HA 0.251 4.994 4.740 0.005 0.000 0.190 71 N C 0.704 176.180 175.510 -0.057 0.000 1.116 71 N CA 0.546 53.553 53.050 -0.072 0.000 0.881 71 N CB 0.452 38.678 38.487 -0.435 0.000 1.006 71 N HN 0.936 nan 8.380 nan 0.000 0.491 75 G N 1.376 110.115 108.800 -0.100 0.000 3.141 75 G HA2 0.602 4.565 3.960 0.005 0.000 0.218 75 G HA3 0.602 4.565 3.960 0.005 0.000 0.218 75 G C 0.373 175.242 174.900 -0.052 0.000 1.170 75 G CA 0.765 45.789 45.100 -0.128 0.000 0.769 75 G HN 1.104 nan 8.290 nan 0.000 0.546 76 A N -0.535 122.295 122.820 0.016 0.000 2.556 76 A HA 0.829 5.152 4.320 0.005 0.000 0.294 76 A C -0.504 177.186 177.584 0.176 0.000 1.091 76 A CA -0.187 51.950 52.037 0.166 0.000 0.704 76 A CB 1.653 20.724 19.000 0.119 0.000 1.300 76 A HN 0.563 nan 8.150 nan 0.000 0.406 77 T N 0.089 114.818 114.554 0.292 0.000 2.900 77 T HA 0.590 4.943 4.350 0.005 0.000 0.295 77 T C -1.345 173.324 174.700 -0.052 0.000 1.044 77 T CA -0.815 61.351 62.100 0.110 0.000 0.995 77 T CB 1.334 70.327 68.868 0.209 0.000 1.072 77 T HN 0.477 nan 8.240 nan 0.000 0.473 78 N N 2.936 121.527 118.700 -0.181 0.000 2.444 78 N HA 0.325 5.068 4.740 0.005 0.000 0.262 78 N C -1.445 173.910 175.510 -0.258 0.000 0.974 78 N CA -0.259 52.713 53.050 -0.129 0.000 0.933 78 N CB 1.001 39.435 38.487 -0.087 0.000 1.137 78 N HN 0.599 nan 8.380 nan 0.000 0.498 79 Y N 0.622 120.853 120.300 -0.114 0.000 2.320 79 Y HA 0.270 4.823 4.550 0.005 0.000 0.334 79 Y C 1.162 176.962 175.900 -0.167 0.000 1.055 79 Y CA -0.709 57.265 58.100 -0.210 0.000 1.143 79 Y CB 1.309 39.474 38.460 -0.493 0.000 1.193 79 Y HN 0.178 nan 8.280 nan 0.000 0.477 80 R N 4.885 125.397 120.500 0.019 0.000 2.216 80 R HA 0.347 4.690 4.340 0.005 0.000 0.332 80 R C -1.289 175.051 176.300 0.065 0.000 1.056 80 R CA -0.259 55.855 56.100 0.022 0.000 0.901 80 R CB 0.090 30.388 30.300 -0.004 0.000 1.039 80 R HN 0.787 nan 8.270 nan 0.000 0.456 81 L N 3.544 124.816 121.223 0.081 0.000 2.350 81 L HA 0.253 4.596 4.340 0.005 0.000 0.275 81 L C 0.311 177.280 176.870 0.164 0.000 1.099 81 L CA -0.367 54.560 54.840 0.146 0.000 0.808 81 L CB 1.775 43.933 42.059 0.166 0.000 1.149 81 L HN 0.612 nan 8.230 nan 0.000 0.442 82 T N 4.490 119.165 114.554 0.202 0.000 2.891 82 T HA 0.391 4.744 4.350 0.005 0.000 0.315 82 T C 0.221 175.029 174.700 0.179 0.000 1.054 82 T CA -0.435 61.761 62.100 0.160 0.000 0.958 82 T CB -0.162 68.787 68.868 0.135 0.000 1.008 82 T HN 0.262 nan 8.240 nan 0.000 0.521 83 L N 3.478 124.807 121.223 0.176 0.000 2.426 83 L HA 0.443 4.786 4.340 0.005 0.000 0.271 83 L C 0.397 177.340 176.870 0.121 0.000 1.169 83 L CA -0.059 54.895 54.840 0.190 0.000 0.836 83 L CB 0.475 42.652 42.059 0.198 0.000 1.112 83 L HN 0.611 nan 8.230 nan 0.000 0.465 84 Q N 2.036 121.896 119.800 0.101 0.000 2.541 84 Q HA 0.091 4.434 4.340 0.005 0.000 0.259 84 Q C -1.286 174.739 176.000 0.041 0.000 0.974 84 Q CA -0.708 55.130 55.803 0.058 0.000 0.955 84 Q CB 1.562 30.321 28.738 0.035 0.000 1.517 84 Q HN 0.697 nan 8.270 nan 0.000 0.412 85 D N 2.810 123.232 120.400 0.037 0.000 2.713 85 D HA -0.247 4.396 4.640 0.005 0.000 0.231 85 D C 0.738 177.062 176.300 0.041 0.000 1.173 85 D CA 2.108 56.125 54.000 0.028 0.000 0.628 85 D CB -1.241 39.562 40.800 0.005 0.000 1.033 85 D HN 1.205 nan 8.370 nan 0.000 0.419 86 G N -1.683 107.167 108.800 0.084 0.000 2.162 86 G HA2 -0.152 3.811 3.960 0.005 0.000 0.260 86 G HA3 -0.152 3.811 3.960 0.005 0.000 0.260 86 G C 0.599 175.600 174.900 0.168 0.000 0.976 86 G CA 0.640 45.818 45.100 0.130 0.000 0.655 86 G HN 0.989 nan 8.290 nan 0.000 0.533 87 G N -1.079 107.753 108.800 0.053 0.000 3.166 87 G HA2 0.841 4.804 3.960 0.005 0.000 0.267 87 G HA3 0.841 4.804 3.960 0.005 0.000 0.267 87 G C -0.930 173.863 174.900 -0.178 0.000 1.256 87 G CA -0.195 44.786 45.100 -0.198 0.000 0.859 87 G HN 1.274 nan 8.290 nan 0.000 0.590 88 Y N -0.861 119.152 120.300 -0.479 0.000 2.425 88 Y HA 0.716 5.269 4.550 0.005 0.000 0.344 88 Y C -0.448 175.409 175.900 -0.073 0.000 0.969 88 Y CA -2.023 55.945 58.100 -0.221 0.000 1.052 88 Y CB 1.353 39.664 38.460 -0.247 0.000 1.215 88 Y HN 0.460 nan 8.280 nan 0.000 0.451 89 L N 5.162 126.406 121.223 0.036 0.000 2.455 89 L HA 0.253 4.596 4.340 0.005 0.000 0.272 89 L C -1.621 175.314 176.870 0.108 0.000 1.174 89 L CA 0.319 55.163 54.840 0.007 0.000 0.869 89 L CB 0.167 42.252 42.059 0.044 0.000 1.130 89 L HN 0.998 nan 8.230 nan 0.000 0.474 90 Y N 4.822 125.039 120.300 -0.138 0.000 2.330 90 Y HA 0.272 4.825 4.550 0.005 0.000 0.324 90 Y C 0.234 176.092 175.900 -0.069 0.000 1.093 90 Y CA -0.409 57.648 58.100 -0.072 0.000 1.103 90 Y CB 0.835 39.185 38.460 -0.183 0.000 1.183 90 Y HN 0.937 nan 8.280 nan 0.000 0.433 91 D N 2.417 122.565 120.400 -0.420 0.000 3.798 91 D HA -0.274 4.369 4.640 0.005 0.000 0.150 91 D C 1.534 177.757 176.300 -0.127 0.000 0.953 91 D CA 2.668 56.488 54.000 -0.300 0.000 1.089 91 D CB -1.031 39.581 40.800 -0.313 0.000 0.535 91 D HN 0.798 nan 8.370 nan 0.000 0.563 92 G N -0.706 108.041 108.800 -0.088 0.000 2.408 92 G HA2 0.103 4.066 3.960 0.005 0.000 0.215 92 G HA3 0.103 4.066 3.960 0.005 0.000 0.215 92 G C 0.469 175.341 174.900 -0.046 0.000 1.156 92 G CA 1.664 46.731 45.100 -0.055 0.000 0.793 92 G HN 0.422 nan 8.290 nan 0.000 0.535 93 Q N -1.330 118.439 119.800 -0.051 0.000 3.156 93 Q HA 0.621 4.964 4.340 0.005 0.000 0.301 93 Q C -0.862 175.078 176.000 -0.100 0.000 1.026 93 Q CA -0.862 54.904 55.803 -0.062 0.000 0.827 93 Q CB 1.212 29.913 28.738 -0.062 0.000 1.490 93 Q HN -0.080 nan 8.270 nan 0.000 0.492 94 V N 1.418 121.259 119.914 -0.121 0.000 2.432 94 V HA 0.396 4.519 4.120 0.005 0.000 0.271 94 V C -0.297 175.629 176.094 -0.280 0.000 1.046 94 V CA -0.357 61.828 62.300 -0.193 0.000 0.945 94 V CB 0.416 32.164 31.823 -0.125 0.000 0.992 94 V HN 0.454 nan 8.190 nan 0.000 0.471 95 R N 6.472 126.654 120.500 -0.530 0.000 2.460 95 R HA 0.480 4.822 4.340 0.005 0.000 0.303 95 R C -2.588 173.384 176.300 -0.545 0.000 0.968 95 R CA -1.776 53.984 56.100 -0.567 0.000 0.889 95 R CB 2.014 31.810 30.300 -0.841 0.000 1.123 95 R HN 0.475 nan 8.270 nan 0.000 0.455 96 P HA 0.073 nan 4.420 nan 0.000 0.277 96 P C -0.810 176.481 177.300 -0.016 0.000 1.240 96 P CA -0.124 62.902 63.100 -0.123 0.000 0.798 96 P CB 0.631 32.306 31.700 -0.041 0.000 0.979 97 F N -0.014 120.029 119.950 0.156 0.000 2.380 97 F HA 0.198 4.728 4.527 0.005 0.000 0.325 97 F C 1.596 177.422 175.800 0.043 0.000 1.136 97 F CA -0.187 57.895 58.000 0.137 0.000 1.171 97 F CB 0.477 39.510 39.000 0.054 0.000 1.230 97 F HN 0.235 nan 8.300 nan 0.000 0.554 98 E N 1.667 122.007 120.200 0.234 0.000 2.289 98 E HA 0.292 4.645 4.350 0.005 0.000 0.278 98 E C -0.722 175.921 176.600 0.073 0.000 1.032 98 E CA -0.395 56.065 56.400 0.101 0.000 0.854 98 E CB 0.843 30.572 29.700 0.047 0.000 1.046 98 E HN 0.400 nan 8.360 nan 0.000 0.409 99 R N 2.783 123.307 120.500 0.041 0.000 2.480 99 R HA 0.434 4.777 4.340 0.005 0.000 0.306 99 R C -0.358 175.935 176.300 -0.012 0.000 0.958 99 R CA -0.688 55.413 56.100 0.000 0.000 0.861 99 R CB 2.091 32.399 30.300 0.013 0.000 1.171 99 R HN 0.308 nan 8.270 nan 0.000 0.445 100 R N 1.727 122.208 120.500 -0.032 0.000 2.740 100 R HA 0.233 4.576 4.340 0.005 0.000 0.282 100 R C -1.209 175.073 176.300 -0.030 0.000 0.969 100 R CA -0.860 55.224 56.100 -0.026 0.000 0.918 100 R CB 1.895 32.176 30.300 -0.031 0.000 1.175 100 R HN 0.410 nan 8.270 nan 0.000 0.464 101 Q N 2.393 122.181 119.800 -0.020 0.000 2.348 101 Q HA 0.548 4.891 4.340 0.005 0.000 0.265 101 Q C -1.659 174.335 176.000 -0.011 0.000 0.998 101 Q CA -0.257 55.534 55.803 -0.020 0.000 0.831 101 Q CB 1.916 30.643 28.738 -0.018 0.000 1.251 101 Q HN 0.700 nan 8.270 nan 0.000 0.456 102 A N 2.817 125.635 122.820 -0.004 0.000 2.373 102 A HA 0.974 5.297 4.320 0.005 0.000 0.291 102 A C -0.862 176.738 177.584 0.027 0.000 1.171 102 A CA -0.008 52.040 52.037 0.018 0.000 0.922 102 A CB 1.417 20.435 19.000 0.031 0.000 1.400 102 A HN 1.085 nan 8.150 nan 0.000 0.474 103 S N -1.595 114.140 115.700 0.057 0.000 2.565 103 S HA 0.663 5.136 4.470 0.005 0.000 0.274 103 S C -1.142 173.522 174.600 0.107 0.000 1.144 103 S CA -0.421 57.791 58.200 0.021 0.000 0.849 103 S CB 0.543 63.715 63.200 -0.047 0.000 1.103 103 S HN 1.944 nan 8.310 nan 0.000 0.455 104 Y N -0.328 119.962 120.300 -0.016 0.000 2.615 104 Y HA 0.824 5.377 4.550 0.005 0.000 0.341 104 Y C -0.584 175.308 175.900 -0.013 0.000 1.089 104 Y CA -1.401 56.690 58.100 -0.014 0.000 1.049 104 Y CB 0.991 39.444 38.460 -0.013 0.000 1.296 104 Y HN 0.812 nan 8.280 nan 0.000 0.470 105 R N 1.919 122.498 120.500 0.132 0.000 2.536 105 R HA 0.613 4.956 4.340 0.005 0.000 0.279 105 R C -1.412 174.965 176.300 0.127 0.000 1.001 105 R CA -1.003 55.120 56.100 0.038 0.000 1.027 105 R CB 1.755 32.077 30.300 0.036 0.000 1.096 105 R HN 0.771 nan 8.270 nan 0.000 0.502 106 L N 2.767 124.018 121.223 0.046 0.000 2.343 106 L HA 0.379 4.722 4.340 0.005 0.000 0.278 106 L C -0.368 176.527 176.870 0.042 0.000 0.996 106 L CA -1.100 53.791 54.840 0.086 0.000 0.831 106 L CB 1.601 43.697 42.059 0.062 0.000 1.232 106 L HN 0.534 nan 8.230 nan 0.000 0.413 107 R N 2.458 122.984 120.500 0.044 0.000 2.583 107 R HA -0.104 4.239 4.340 0.005 0.000 0.274 107 R C 0.581 176.891 176.300 0.016 0.000 0.998 107 R CA 0.653 56.766 56.100 0.023 0.000 1.081 107 R CB 0.669 30.981 30.300 0.019 0.000 0.940 107 R HN 0.630 nan 8.270 nan 0.000 0.413 108 Q N 3.606 123.410 119.800 0.007 0.000 2.226 108 Q HA 0.262 4.605 4.340 0.005 0.000 0.199 108 Q C 0.364 176.365 176.000 0.002 0.000 0.945 108 Q CA 2.006 57.811 55.803 0.003 0.000 0.861 108 Q CB 0.611 29.348 28.738 -0.002 0.000 0.953 108 Q HN 0.807 nan 8.270 nan 0.000 0.490 109 A N -0.323 122.497 122.820 0.001 0.000 3.766 109 A HA -0.114 4.209 4.320 0.005 0.000 0.188 109 A C 0.283 177.865 177.584 -0.002 0.000 0.953 109 A CA 0.815 52.852 52.037 -0.001 0.000 2.087 109 A CB -1.835 17.165 19.000 -0.001 0.000 0.528 109 A HN 0.465 nan 8.150 nan 0.000 0.611 110 D N -1.006 119.393 120.400 -0.003 0.000 2.440 110 D HA 0.452 5.095 4.640 0.005 0.000 0.216 110 D C 1.351 177.649 176.300 -0.004 0.000 1.150 110 D CA 0.972 54.969 54.000 -0.004 0.000 0.832 110 D CB 0.046 40.844 40.800 -0.004 0.000 0.992 110 D HN 1.758 nan 8.370 nan 0.000 0.502 111 G N 0.246 109.044 108.800 -0.003 0.000 2.225 111 G HA2 -0.292 3.671 3.960 0.005 0.000 0.254 111 G HA3 -0.292 3.671 3.960 0.005 0.000 0.254 111 G C 0.593 175.492 174.900 -0.002 0.000 0.988 111 G CA 0.545 45.644 45.100 -0.003 0.000 0.625 111 G HN 0.800 nan 8.290 nan 0.000 0.527 112 T N -0.637 113.915 114.554 -0.003 0.000 2.874 112 T HA 0.684 5.037 4.350 0.005 0.000 0.281 112 T C 0.398 175.096 174.700 -0.003 0.000 0.994 112 T CA 0.702 62.800 62.100 -0.004 0.000 1.015 112 T CB 1.975 70.839 68.868 -0.007 0.000 1.028 112 T HN 1.358 nan 8.240 nan 0.000 0.523 113 T N -1.868 112.683 114.554 -0.005 0.000 2.930 113 T HA 0.716 5.069 4.350 0.005 0.000 0.290 113 T C -0.712 173.978 174.700 -0.017 0.000 1.052 113 T CA -0.832 61.265 62.100 -0.005 0.000 1.017 113 T CB 1.635 70.504 68.868 0.001 0.000 1.137 113 T HN 0.974 nan 8.240 nan 0.000 0.511 114 V N 0.524 120.421 119.914 -0.029 0.000 2.925 114 V HA 0.521 4.644 4.120 0.005 0.000 0.311 114 V C -1.556 174.488 176.094 -0.084 0.000 1.104 114 V CA -0.817 61.453 62.300 -0.049 0.000 0.954 114 V CB 2.160 33.955 31.823 -0.047 0.000 1.022 114 V HN 1.096 nan 8.190 nan 0.000 0.427 115 D N 3.647 123.991 120.400 -0.095 0.000 2.350 115 D HA 0.490 5.133 4.640 0.005 0.000 0.249 115 D C -0.627 175.543 176.300 -0.216 0.000 1.119 115 D CA 0.311 54.227 54.000 -0.141 0.000 0.886 115 D CB 1.021 41.761 40.800 -0.100 0.000 1.195 115 D HN 0.439 nan 8.370 nan 0.000 0.437 116 K N 2.666 122.834 120.400 -0.387 0.000 2.450 116 K HA 0.380 4.703 4.320 0.005 0.000 0.257 116 K C -2.614 173.717 176.600 -0.449 0.000 0.953 116 K CA -2.248 53.729 56.287 -0.517 0.000 0.844 116 K CB 1.669 33.559 32.500 -1.016 0.000 1.103 116 K HN 0.185 nan 8.250 nan 0.000 0.429 117 P HA 0.146 nan 4.420 nan 0.000 0.279 117 P C -1.034 176.218 177.300 -0.080 0.000 1.239 117 P CA -0.474 62.549 63.100 -0.128 0.000 0.789 117 P CB 0.976 32.625 31.700 -0.084 0.000 0.933 118 L N 2.368 123.585 121.223 -0.010 0.000 2.441 118 L HA 0.379 4.722 4.340 0.005 0.000 0.270 118 L C -0.479 176.393 176.870 0.003 0.000 0.973 118 L CA -0.567 54.306 54.840 0.056 0.000 0.842 118 L CB 1.968 44.146 42.059 0.198 0.000 1.239 118 L HN 0.455 nan 8.230 nan 0.000 0.406 119 E N 5.506 125.688 120.200 -0.030 0.000 2.113 119 E HA 0.398 4.751 4.350 0.005 0.000 0.273 119 E C -0.973 175.562 176.600 -0.108 0.000 0.924 119 E CA -0.638 55.726 56.400 -0.061 0.000 0.764 119 E CB 1.375 31.036 29.700 -0.066 0.000 1.104 119 E HN 0.561 nan 8.360 nan 0.000 0.406 120 I N 5.021 125.525 120.570 -0.111 0.000 2.312 120 I HA 0.272 4.445 4.170 0.005 0.000 0.291 120 I C 0.418 176.427 176.117 -0.180 0.000 1.031 120 I CA -0.284 60.916 61.300 -0.165 0.000 1.293 120 I CB 0.820 38.744 38.000 -0.127 0.000 1.403 120 I HN 0.325 nan 8.210 nan 0.000 0.484 121 R N 4.216 124.550 120.500 -0.276 0.000 2.407 121 R HA 0.625 4.968 4.340 0.005 0.000 0.303 121 R C -0.840 175.297 176.300 -0.272 0.000 0.981 121 R CA -0.462 55.445 56.100 -0.321 0.000 0.905 121 R CB 1.931 31.847 30.300 -0.640 0.000 1.099 121 R HN 0.554 nan 8.270 nan 0.000 0.459 122 S N 0.673 116.313 115.700 -0.099 0.000 2.538 122 S HA 0.357 4.830 4.470 0.005 0.000 0.288 122 S C -0.525 174.132 174.600 0.094 0.000 1.108 122 S CA -0.905 57.270 58.200 -0.042 0.000 0.971 122 S CB 1.960 65.138 63.200 -0.038 0.000 1.041 122 S HN 0.699 nan 8.310 nan 0.000 0.483 123 S N 0.568 116.251 115.700 -0.028 0.000 2.758 123 S HA 0.486 4.959 4.470 0.005 0.000 0.292 123 S C 1.140 175.623 174.600 -0.196 0.000 1.131 123 S CA -0.543 57.461 58.200 -0.326 0.000 0.997 123 S CB 0.841 63.654 63.200 -0.644 0.000 1.111 123 S HN 0.589 nan 8.310 nan 0.000 0.552 124 V N 1.146 120.888 119.914 -0.286 0.000 2.867 124 V HA -0.151 3.971 4.120 0.005 0.000 0.260 124 V C 1.863 177.739 176.094 -0.364 0.000 1.099 124 V CA 2.081 64.175 62.300 -0.344 0.000 1.122 124 V CB -1.545 29.955 31.823 -0.537 0.000 0.708 124 V HN 0.908 nan 8.190 nan 0.000 0.490 125 H N 0.367 119.232 119.070 -0.341 0.000 2.343 125 H HA 0.486 5.044 4.556 0.005 0.000 0.303 125 H C 1.068 176.281 175.328 -0.191 0.000 1.068 125 H CA 1.011 56.842 56.048 -0.361 0.000 1.359 125 H CB -0.120 29.325 29.762 -0.529 0.000 1.402 125 H HN 0.631 nan 8.280 nan 0.000 0.515 126 G N -1.304 107.509 108.800 0.023 0.000 2.323 126 G HA2 0.212 4.175 3.960 0.005 0.000 0.291 126 G HA3 0.212 4.175 3.960 0.005 0.000 0.291 126 G C -2.891 172.010 174.900 0.002 0.000 1.278 126 G CA -1.175 43.940 45.100 0.024 0.000 0.860 126 G HN -0.124 nan 8.290 nan 0.000 0.504 127 P HA 0.401 nan 4.420 nan 0.000 0.268 127 P C -0.370 176.830 177.300 -0.167 0.000 1.208 127 P CA -0.236 62.787 63.100 -0.128 0.000 0.777 127 P CB 1.047 32.667 31.700 -0.133 0.000 0.875 128 V N 3.440 123.124 119.914 -0.383 0.000 2.417 128 V HA 0.424 4.547 4.120 0.005 0.000 0.291 128 V C -0.322 175.464 176.094 -0.513 0.000 1.024 128 V CA -0.179 61.926 62.300 -0.325 0.000 0.861 128 V CB 0.396 31.991 31.823 -0.379 0.000 0.985 128 V HN 0.348 nan 8.190 nan 0.000 0.436 129 F N 2.087 121.986 119.950 -0.085 0.000 2.508 129 F HA 0.551 5.081 4.527 0.005 0.000 0.325 129 F C 0.272 176.036 175.800 -0.059 0.000 1.090 129 F CA -0.789 57.170 58.000 -0.069 0.000 0.945 129 F CB 1.877 40.848 39.000 -0.048 0.000 1.156 129 F HN 0.428 nan 8.300 nan 0.000 0.463 130 E N 2.900 123.168 120.200 0.114 0.000 2.109 130 E HA 0.351 4.704 4.350 0.005 0.000 0.278 130 E C -0.380 176.261 176.600 0.070 0.000 0.954 130 E CA -0.604 55.831 56.400 0.058 0.000 0.779 130 E CB 0.771 30.479 29.700 0.014 0.000 1.093 130 E HN 0.514 nan 8.360 nan 0.000 0.401 131 R N 2.152 122.684 120.500 0.053 0.000 2.774 131 R HA 0.177 4.520 4.340 0.005 0.000 0.269 131 R C 1.113 177.426 176.300 0.022 0.000 1.068 131 R CA 0.431 56.550 56.100 0.030 0.000 1.180 131 R CB 0.467 30.776 30.300 0.014 0.000 1.077 131 R HN 0.701 nan 8.270 nan 0.000 0.513 132 A N 1.400 124.227 122.820 0.012 0.000 2.024 132 A HA -0.207 4.116 4.320 0.005 0.000 0.220 132 A C 1.269 178.858 177.584 0.009 0.000 1.164 132 A CA 2.087 54.130 52.037 0.010 0.000 0.643 132 A CB -0.503 18.499 19.000 0.003 0.000 0.806 132 A HN 0.852 nan 8.150 nan 0.000 0.451 133 D N -3.114 117.291 120.400 0.008 0.000 2.339 133 D HA 0.322 4.965 4.640 0.005 0.000 0.217 133 D C 1.117 177.425 176.300 0.014 0.000 1.050 133 D CA 0.948 54.953 54.000 0.008 0.000 0.856 133 D CB -0.277 40.526 40.800 0.005 0.000 0.922 133 D HN 0.704 nan 8.370 nan 0.000 0.518 134 G N -0.652 108.159 108.800 0.018 0.000 2.213 134 G HA2 -0.258 3.705 3.960 0.005 0.000 0.236 134 G HA3 -0.258 3.705 3.960 0.005 0.000 0.236 134 G C 0.452 175.369 174.900 0.029 0.000 0.991 134 G CA 0.158 45.271 45.100 0.023 0.000 0.629 134 G HN 0.434 nan 8.290 nan 0.000 0.517 135 T N 1.821 116.390 114.554 0.026 0.000 2.888 135 T HA 0.502 4.855 4.350 0.005 0.000 0.301 135 T C 0.648 175.373 174.700 0.041 0.000 1.001 135 T CA 0.771 62.889 62.100 0.031 0.000 1.147 135 T CB 1.393 70.272 68.868 0.019 0.000 0.931 135 T HN 1.361 nan 8.240 nan 0.000 0.541 136 A N 4.037 126.889 122.820 0.053 0.000 2.279 136 A HA 0.570 4.893 4.320 0.005 0.000 0.306 136 A C -0.178 177.443 177.584 0.062 0.000 1.300 136 A CA -0.604 51.467 52.037 0.057 0.000 0.925 136 A CB 0.217 19.267 19.000 0.083 0.000 1.152 136 A HN 0.685 nan 8.150 nan 0.000 0.544 137 V N 2.481 122.441 119.914 0.077 0.000 2.409 137 V HA 0.613 4.736 4.120 0.005 0.000 0.291 137 V C 0.520 176.691 176.094 0.129 0.000 1.020 137 V CA -0.465 61.886 62.300 0.084 0.000 0.848 137 V CB 1.301 33.167 31.823 0.071 0.000 0.990 137 V HN 1.043 nan 8.190 nan 0.000 0.430 138 A N 5.070 127.939 122.820 0.081 0.000 2.260 138 A HA 0.752 5.075 4.320 0.005 0.000 0.308 138 A C -0.296 177.405 177.584 0.194 0.000 1.254 138 A CA -0.456 51.635 52.037 0.090 0.000 0.874 138 A CB 0.750 19.721 19.000 -0.048 0.000 1.153 138 A HN 0.829 nan 8.150 nan 0.000 0.527 139 V N 2.479 122.537 119.914 0.239 0.000 2.383 139 V HA 0.520 4.642 4.120 0.005 0.000 0.275 139 V C 0.427 176.665 176.094 0.239 0.000 1.036 139 V CA -0.635 61.803 62.300 0.231 0.000 0.889 139 V CB 0.825 32.768 31.823 0.201 0.000 0.985 139 V HN 0.908 nan 8.190 nan 0.000 0.459 140 R N 3.636 124.321 120.500 0.309 0.000 2.310 140 R HA 0.690 5.033 4.340 0.005 0.000 0.324 140 R C -1.646 174.882 176.300 0.381 0.000 0.955 140 R CA -0.414 55.848 56.100 0.270 0.000 0.830 140 R CB 1.763 32.194 30.300 0.219 0.000 1.154 140 R HN 0.614 nan 8.270 nan 0.000 0.458 141 V N 4.247 124.338 119.914 0.295 0.000 2.417 141 V HA 0.501 4.624 4.120 0.005 0.000 0.291 141 V C 0.369 176.676 176.094 0.355 0.000 1.024 141 V CA -0.699 61.776 62.300 0.291 0.000 0.861 141 V CB 1.376 33.291 31.823 0.154 0.000 0.985 141 V HN 0.980 nan 8.190 nan 0.000 0.436 142 A N 3.546 126.585 122.820 0.367 0.000 2.313 142 A HA 0.626 4.949 4.320 0.005 0.000 0.261 142 A C 1.476 179.136 177.584 0.126 0.000 1.090 142 A CA 0.418 52.619 52.037 0.273 0.000 0.807 142 A CB -0.055 18.928 19.000 -0.029 0.000 1.055 142 A HN 2.171 nan 8.150 nan 0.000 0.492 143 G N -0.734 108.126 108.800 0.100 0.000 2.166 143 G HA2 -0.253 3.710 3.960 0.005 0.000 0.260 143 G HA3 -0.253 3.710 3.960 0.005 0.000 0.260 143 G C 0.633 175.566 174.900 0.054 0.000 0.986 143 G CA 0.687 45.819 45.100 0.053 0.000 0.683 143 G HN 0.799 nan 8.290 nan 0.000 0.527 144 L N 0.661 121.928 121.223 0.073 0.000 2.450 144 L HA 0.060 4.403 4.340 0.005 0.000 0.224 144 L C 1.911 178.805 176.870 0.041 0.000 1.149 144 L CA 1.423 56.296 54.840 0.055 0.000 0.816 144 L CB -0.184 41.911 42.059 0.060 0.000 0.932 144 L HN 0.479 nan 8.230 nan 0.000 0.449 145 D N -0.956 119.469 120.400 0.041 0.000 2.525 145 D HA -0.011 4.632 4.640 0.005 0.000 0.229 145 D C 0.392 176.705 176.300 0.023 0.000 1.202 145 D CA -0.207 53.811 54.000 0.030 0.000 0.828 145 D CB 0.206 41.025 40.800 0.031 0.000 1.008 145 D HN 0.047 nan 8.370 nan 0.000 0.493 146 R N 1.895 122.409 120.500 0.023 0.000 2.790 146 R HA 0.242 4.585 4.340 0.005 0.000 0.274 146 R C -1.691 174.621 176.300 0.019 0.000 1.334 146 R CA -1.393 54.716 56.100 0.016 0.000 1.543 146 R CB 0.619 30.926 30.300 0.013 0.000 1.154 146 R HN 0.144 nan 8.270 nan 0.000 0.601 147 P HA -0.077 nan 4.420 nan 0.000 0.225 147 P C 0.616 177.930 177.300 0.023 0.000 1.148 147 P CA 0.613 63.724 63.100 0.019 0.000 0.779 147 P CB 0.573 32.282 31.700 0.015 0.000 0.780 151 E N 1.052 121.320 120.200 0.113 0.000 2.153 151 E HA -0.263 4.090 4.350 0.005 0.000 0.194 151 E C 1.812 178.510 176.600 0.162 0.000 0.988 151 E CA 1.743 58.235 56.400 0.153 0.000 0.811 151 E CB 0.226 29.987 29.700 0.101 0.000 0.746 151 E HN 0.407 nan 8.360 nan 0.000 0.466 152 Q N -0.469 119.387 119.800 0.093 0.000 2.030 152 Q HA -0.222 4.121 4.340 0.005 0.000 0.204 152 Q C 1.860 177.868 176.000 0.012 0.000 0.986 152 Q CA 1.694 57.499 55.803 0.004 0.000 0.843 152 Q CB -0.210 28.488 28.738 -0.067 0.000 0.904 152 Q HN 0.403 nan 8.270 nan 0.000 0.420 153 Y N -0.559 119.767 120.300 0.042 0.000 2.165 153 Y HA -0.276 4.277 4.550 0.005 0.000 0.286 153 Y C 2.071 178.016 175.900 0.075 0.000 1.155 153 Y CA 1.639 59.768 58.100 0.048 0.000 1.164 153 Y CB -0.298 38.193 38.460 0.052 0.000 0.978 153 Y HN 0.277 nan 8.280 nan 0.000 0.513 154 F N 1.027 121.040 119.950 0.105 0.000 2.095 154 F HA -0.166 4.364 4.527 0.005 0.000 0.298 154 F C 1.129 176.902 175.800 -0.047 0.000 1.104 154 F CA 1.179 59.172 58.000 -0.011 0.000 1.232 154 F CB -0.607 38.356 39.000 -0.061 0.000 0.987 154 F HN -0.064 nan 8.300 nan 0.000 0.475 158 T N -0.113 114.328 114.554 -0.188 0.000 3.134 158 T HA 0.679 5.032 4.350 0.005 0.000 0.260 158 T C 0.890 175.532 174.700 -0.096 0.000 1.027 158 T CA 0.436 62.396 62.100 -0.233 0.000 0.913 158 T CB 0.107 68.599 68.868 -0.626 0.000 1.046 158 T HN 0.503 nan 8.240 nan 0.000 0.553 159 A N 1.448 124.270 122.820 0.002 0.000 2.555 159 A HA 0.223 4.546 4.320 0.005 0.000 0.233 159 A C 1.060 178.696 177.584 0.087 0.000 1.060 159 A CA -0.070 52.007 52.037 0.066 0.000 0.759 159 A CB 0.068 19.186 19.000 0.195 0.000 0.995 159 A HN 0.375 nan 8.150 nan 0.000 0.506 160 D N -0.271 120.172 120.400 0.072 0.000 2.339 160 D HA 0.141 4.784 4.640 0.005 0.000 0.217 160 D C 0.343 176.702 176.300 0.098 0.000 1.050 160 D CA 1.414 55.460 54.000 0.077 0.000 0.856 160 D CB 0.063 40.897 40.800 0.057 0.000 0.922 160 D HN 0.704 nan 8.370 nan 0.000 0.518 161 S N -1.547 114.231 115.700 0.130 0.000 2.627 161 S HA 0.109 4.582 4.470 0.005 0.000 0.268 161 S C 0.216 174.949 174.600 0.220 0.000 1.130 161 S CA -0.826 57.473 58.200 0.164 0.000 0.819 161 S CB 0.370 63.638 63.200 0.112 0.000 1.100 161 S HN -0.143 nan 8.310 nan 0.000 0.465 162 F N 1.683 121.676 119.950 0.072 0.000 2.102 162 F HA -0.025 4.505 4.527 0.005 0.000 0.298 162 F C 1.986 177.782 175.800 -0.006 0.000 1.105 162 F CA 2.212 60.180 58.000 -0.053 0.000 1.239 162 F CB -0.616 38.320 39.000 -0.107 0.000 0.991 162 F HN 0.794 nan 8.300 nan 0.000 0.474 163 D N 0.284 120.654 120.400 -0.051 0.000 2.106 163 D HA -0.220 4.423 4.640 0.005 0.000 0.191 163 D C 1.843 178.041 176.300 -0.171 0.000 0.997 163 D CA 1.916 55.824 54.000 -0.154 0.000 0.834 163 D CB -0.343 40.446 40.800 -0.018 0.000 0.956 163 D HN 0.324 nan 8.370 nan 0.000 0.448 164 D N -0.482 119.878 120.400 -0.066 0.000 2.144 164 D HA -0.164 4.479 4.640 0.005 0.000 0.199 164 D C 1.915 178.155 176.300 -0.101 0.000 0.984 164 D CA 0.536 54.498 54.000 -0.063 0.000 0.834 164 D CB -0.423 40.373 40.800 -0.007 0.000 0.955 164 D HN 0.351 nan 8.370 nan 0.000 0.465 165 Y N 1.842 122.019 120.300 -0.205 0.000 2.128 165 Y HA -0.183 4.370 4.550 0.005 0.000 0.284 165 Y C 2.051 177.744 175.900 -0.345 0.000 1.154 165 Y CA 1.761 59.723 58.100 -0.229 0.000 1.149 165 Y CB -0.151 38.172 38.460 -0.228 0.000 0.976 165 Y HN -0.059 nan 8.280 nan 0.000 0.505 166 E N -0.172 119.655 120.200 -0.622 0.000 2.268 166 E HA -0.129 4.224 4.350 0.005 0.000 0.195 166 E C 2.233 178.564 176.600 -0.449 0.000 0.995 166 E CA 0.572 56.575 56.400 -0.662 0.000 0.836 166 E CB -0.176 29.107 29.700 -0.695 0.000 0.763 166 E HN 0.626 nan 8.360 nan 0.000 0.491 167 A N 1.398 124.013 122.820 -0.341 0.000 1.872 167 A HA -0.053 4.270 4.320 0.005 0.000 0.214 167 A C 2.369 179.807 177.584 -0.243 0.000 1.187 167 A CA 1.442 53.339 52.037 -0.232 0.000 0.614 167 A CB -0.517 18.386 19.000 -0.161 0.000 0.826 167 A HN 0.290 nan 8.150 nan 0.000 0.442 168 A N -0.126 122.525 122.820 -0.281 0.000 1.865 168 A HA -0.117 4.206 4.320 0.005 0.000 0.217 168 A C 2.197 179.584 177.584 -0.328 0.000 1.191 168 A CA 1.536 53.414 52.037 -0.265 0.000 0.623 168 A CB -0.858 17.985 19.000 -0.261 0.000 0.826 168 A HN 0.512 nan 8.150 nan 0.000 0.444 169 L N -0.589 120.325 121.223 -0.515 0.000 2.034 169 L HA -0.315 4.028 4.340 0.005 0.000 0.217 169 L C 2.879 179.573 176.870 -0.292 0.000 1.077 169 L CA 1.819 56.370 54.840 -0.480 0.000 0.769 169 L CB -0.534 41.149 42.059 -0.627 0.000 0.890 169 L HN 0.473 nan 8.230 nan 0.000 0.435 170 A N -0.330 122.336 122.820 -0.257 0.000 2.139 170 A HA -0.179 4.144 4.320 0.005 0.000 0.221 170 A C 1.400 178.912 177.584 -0.120 0.000 1.159 170 A CA 0.869 52.807 52.037 -0.164 0.000 0.662 170 A CB -0.538 18.372 19.000 -0.149 0.000 0.796 170 A HN 0.481 nan 8.150 nan 0.000 0.463 174 V N 5.569 125.462 119.914 -0.036 0.000 2.348 174 V HA 0.180 4.303 4.120 0.005 0.000 0.270 174 V C -1.289 174.788 176.094 -0.027 0.000 1.037 174 V CA -0.805 61.505 62.300 0.017 0.000 0.872 174 V CB 1.302 33.084 31.823 -0.068 0.000 1.002 174 V HN 0.049 nan 8.190 nan 0.000 0.464 175 P HA 0.005 nan 4.420 nan 0.000 0.237 175 P C 0.389 177.543 177.300 -0.245 0.000 1.178 175 P CA 0.782 63.810 63.100 -0.120 0.000 0.766 175 P CB 0.437 32.083 31.700 -0.090 0.000 0.876 176 T N -3.703 110.616 114.554 -0.392 0.000 2.626 176 T HA 0.548 4.901 4.350 0.005 0.000 0.299 176 T C -0.678 173.697 174.700 -0.542 0.000 1.181 176 T CA -0.778 60.967 62.100 -0.591 0.000 1.053 176 T CB 0.947 69.290 68.868 -0.874 0.000 1.566 176 T HN -0.030 nan 8.240 nan 0.000 0.486 177 F N -0.334 119.511 119.950 -0.174 0.000 2.183 177 F HA -0.105 4.425 4.527 0.005 0.000 0.321 177 F C -0.134 175.531 175.800 -0.224 0.000 1.291 177 F CA -0.952 56.966 58.000 -0.137 0.000 0.923 177 F CB -0.351 38.633 39.000 -0.027 0.000 4.122 177 F HN 0.661 nan 8.300 nan 0.000 0.155 178 N N 2.285 121.045 118.700 0.101 0.000 2.498 178 N HA 0.736 5.479 4.740 0.005 0.000 0.287 178 N C -0.815 174.746 175.510 0.084 0.000 1.097 178 N CA -0.341 52.728 53.050 0.031 0.000 0.973 178 N CB 1.679 40.313 38.487 0.245 0.000 1.153 178 N HN 0.447 nan 8.380 nan 0.000 0.472 179 I N 1.718 122.292 120.570 0.006 0.000 2.478 179 I HA 0.247 4.420 4.170 0.005 0.000 0.287 179 I C -0.397 175.802 176.117 0.137 0.000 1.042 179 I CA -0.771 60.578 61.300 0.081 0.000 1.067 179 I CB 2.016 40.060 38.000 0.074 0.000 1.233 179 I HN -0.016 nan 8.210 nan 0.000 0.431 180 V N 6.445 126.488 119.914 0.214 0.000 2.612 180 V HA 0.416 4.539 4.120 0.005 0.000 0.301 180 V C -0.953 175.294 176.094 0.255 0.000 1.046 180 V CA -0.601 61.867 62.300 0.280 0.000 0.946 180 V CB 1.907 33.923 31.823 0.323 0.000 1.003 180 V HN 0.577 nan 8.190 nan 0.000 0.459 181 Y N 2.607 122.940 120.300 0.055 0.000 2.545 181 Y HA 0.819 5.372 4.550 0.005 0.000 0.348 181 Y C -0.369 175.451 175.900 -0.134 0.000 1.002 181 Y CA -0.477 57.558 58.100 -0.108 0.000 1.039 181 Y CB 2.010 40.295 38.460 -0.290 0.000 1.271 181 Y HN 0.798 nan 8.280 nan 0.000 0.467 182 A N 3.582 125.859 122.820 -0.906 0.000 2.589 182 A HA 0.584 4.907 4.320 0.005 0.000 0.296 182 A C -2.190 174.625 177.584 -1.281 0.000 1.062 182 A CA -0.730 50.876 52.037 -0.720 0.000 0.686 182 A CB 1.649 20.451 19.000 -0.329 0.000 1.282 182 A HN 0.666 nan 8.150 nan 0.000 0.404 183 D N 0.118 120.016 120.400 -0.836 0.000 2.457 183 D HA 0.441 5.084 4.640 0.005 0.000 0.240 183 D C 1.284 177.321 176.300 -0.437 0.000 1.041 183 D CA -0.532 53.096 54.000 -0.619 0.000 0.861 183 D CB 1.647 42.340 40.800 -0.179 0.000 1.394 183 D HN 0.573 nan 8.370 nan 0.000 0.473 184 R N 0.813 121.163 120.500 -0.250 0.000 2.280 184 R HA 0.016 4.359 4.340 0.005 0.000 0.207 184 R C 0.262 176.557 176.300 -0.009 0.000 1.043 184 R CA 1.050 57.159 56.100 0.016 0.000 1.006 184 R CB 0.085 30.452 30.300 0.113 0.000 0.885 184 R HN 0.220 nan 8.270 nan 0.000 0.467 185 E N 0.225 120.400 120.200 -0.041 0.000 2.442 185 E HA 0.115 4.468 4.350 0.005 0.000 0.195 185 E C 1.021 177.604 176.600 -0.029 0.000 1.030 185 E CA 0.931 57.324 56.400 -0.011 0.000 0.869 185 E CB 0.704 30.415 29.700 0.017 0.000 0.857 185 E HN 0.621 nan 8.360 nan 0.000 0.505 186 G N 0.607 109.368 108.800 -0.064 0.000 2.201 186 G HA2 -0.265 3.697 3.960 0.005 0.000 0.212 186 G HA3 -0.265 3.697 3.960 0.005 0.000 0.212 186 G C 0.631 175.476 174.900 -0.091 0.000 0.994 186 G CA 0.251 45.312 45.100 -0.065 0.000 0.644 186 G HN 0.393 nan 8.290 nan 0.000 0.508 187 T N 0.552 115.036 114.554 -0.118 0.000 2.910 187 T HA 0.687 5.040 4.350 0.005 0.000 0.293 187 T C 0.466 175.064 174.700 -0.170 0.000 1.015 187 T CA 0.132 62.108 62.100 -0.207 0.000 1.094 187 T CB 1.044 69.677 68.868 -0.392 0.000 0.968 187 T HN 1.362 nan 8.240 nan 0.000 0.521 188 I N 0.413 120.882 120.570 -0.169 0.000 2.934 188 I HA 0.839 5.012 4.170 0.005 0.000 0.306 188 I C -1.056 175.024 176.117 -0.062 0.000 1.110 188 I CA -1.298 59.979 61.300 -0.038 0.000 1.019 188 I CB 2.488 40.493 38.000 0.008 0.000 1.227 188 I HN 0.800 nan 8.210 nan 0.000 0.434 189 N N 1.829 120.587 118.700 0.096 0.000 2.598 189 N HA 0.484 5.227 4.740 0.005 0.000 0.263 189 N C -2.214 173.465 175.510 0.281 0.000 1.254 189 N CA -0.546 52.587 53.050 0.138 0.000 0.863 189 N CB 2.099 40.656 38.487 0.116 0.000 1.586 189 N HN 0.763 nan 8.380 nan 0.000 0.491 190 Y N 1.390 121.798 120.300 0.180 0.000 2.373 190 Y HA 0.704 5.256 4.550 0.005 0.000 0.336 190 Y C -1.638 174.386 175.900 0.206 0.000 0.979 190 Y CA -0.431 57.786 58.100 0.195 0.000 1.080 190 Y CB 1.716 40.280 38.460 0.172 0.000 1.190 190 Y HN 0.469 nan 8.280 nan 0.000 0.446 191 S N 6.807 122.104 115.700 -0.671 0.000 2.561 191 S HA 0.327 4.800 4.470 0.005 0.000 0.303 191 S C -1.346 172.875 174.600 -0.631 0.000 1.110 191 S CA -0.597 57.298 58.200 -0.509 0.000 1.034 191 S CB 0.728 63.842 63.200 -0.143 0.000 1.010 191 S HN 0.635 nan 8.310 nan 0.000 0.482 192 F N 4.568 124.169 119.950 -0.582 0.000 2.619 192 F HA 0.336 4.866 4.527 0.005 0.000 0.350 192 F C 0.393 176.065 175.800 -0.212 0.000 1.259 192 F CA -0.640 57.160 58.000 -0.334 0.000 1.204 192 F CB -0.494 38.356 39.000 -0.251 0.000 1.556 192 F HN 0.578 nan 8.300 nan 0.000 0.650 193 N N 2.906 121.426 118.700 -0.299 0.000 2.445 193 N HA 0.725 5.468 4.740 0.005 0.000 0.264 193 N C -0.120 175.219 175.510 -0.286 0.000 1.227 193 N CA 0.611 53.531 53.050 -0.218 0.000 0.963 193 N CB 1.206 39.603 38.487 -0.148 0.000 1.188 193 N HN 0.776 nan 8.380 nan 0.000 0.491 194 G N -0.803 107.891 108.800 -0.177 0.000 2.361 194 G HA2 0.169 4.132 3.960 0.005 0.000 0.305 194 G HA3 0.169 4.132 3.960 0.005 0.000 0.305 194 G C -1.932 172.908 174.900 -0.100 0.000 1.367 194 G CA -0.719 44.274 45.100 -0.178 0.000 0.951 194 G HN 0.508 nan 8.290 nan 0.000 0.615 195 V N 0.853 120.705 119.914 -0.103 0.000 2.328 195 V HA 0.713 4.836 4.120 0.005 0.000 0.278 195 V C 0.601 176.633 176.094 -0.104 0.000 1.021 195 V CA 0.149 62.404 62.300 -0.075 0.000 0.838 195 V CB 0.793 32.576 31.823 -0.066 0.000 0.999 195 V HN 1.684 nan 8.190 nan 0.000 0.447 196 A N 7.502 130.285 122.820 -0.061 0.000 2.330 196 A HA 0.877 5.199 4.320 0.005 0.000 0.313 196 A C -2.895 174.559 177.584 -0.217 0.000 1.124 196 A CA -1.973 50.004 52.037 -0.100 0.000 0.774 196 A CB 1.462 20.528 19.000 0.109 0.000 1.198 196 A HN 0.593 nan 8.150 nan 0.000 0.465 197 P HA 0.072 nan 4.420 nan 0.000 0.267 197 P C -0.528 176.405 177.300 -0.612 0.000 1.205 197 P CA 0.234 62.828 63.100 -0.843 0.000 0.765 197 P CB 0.437 30.910 31.700 -2.045 0.000 0.828 198 K N 4.297 124.425 120.400 -0.454 0.000 2.368 198 K HA 0.253 4.576 4.320 0.005 0.000 0.282 198 K C 0.346 176.793 176.600 -0.255 0.000 1.035 198 K CA 0.153 56.229 56.287 -0.352 0.000 0.973 198 K CB 0.631 32.929 32.500 -0.337 0.000 0.957 198 K HN 0.414 nan 8.250 nan 0.000 0.474 199 R N 0.520 120.879 120.500 -0.233 0.000 2.795 199 R HA 0.320 4.663 4.340 0.005 0.000 0.275 199 R C 0.204 176.619 176.300 0.192 0.000 0.981 199 R CA -0.458 55.520 56.100 -0.203 0.000 0.917 199 R CB 1.652 31.429 30.300 -0.873 0.000 1.202 199 R HN 0.693 nan 8.270 nan 0.000 0.469 200 A N 1.197 124.170 122.820 0.254 0.000 1.984 200 A HA 0.033 4.356 4.320 0.005 0.000 0.214 200 A C 0.146 177.906 177.584 0.294 0.000 1.173 200 A CA 0.872 53.060 52.037 0.251 0.000 0.673 200 A CB -0.071 19.035 19.000 0.178 0.000 0.830 200 A HN 0.742 nan 8.150 nan 0.000 0.453 201 E N -2.757 117.684 120.200 0.403 0.000 2.429 201 E HA 0.554 4.907 4.350 0.005 0.000 0.276 201 E C -0.337 176.611 176.600 0.581 0.000 0.953 201 E CA -0.883 55.734 56.400 0.361 0.000 0.787 201 E CB 1.449 31.257 29.700 0.180 0.000 1.307 201 E HN 1.107 nan 8.360 nan 0.000 0.458 202 G N 2.099 111.117 108.800 0.364 0.000 3.326 202 G HA2 0.098 4.061 3.960 0.005 0.000 0.681 202 G HA3 0.098 4.061 3.960 0.005 0.000 0.681 202 G C -1.043 174.214 174.900 0.594 0.000 1.255 202 G CA -0.450 44.883 45.100 0.388 0.000 0.976 202 G HN 0.896 nan 8.290 nan 0.000 0.563 203 D N 1.664 122.291 120.400 0.380 0.000 2.357 203 D HA 0.273 4.916 4.640 0.005 0.000 0.242 203 D C 1.693 178.298 176.300 0.508 0.000 1.153 203 D CA -0.565 53.654 54.000 0.365 0.000 0.918 203 D CB 0.965 41.897 40.800 0.220 0.000 1.181 203 D HN 0.579 nan 8.370 nan 0.000 0.435 204 I N 0.533 121.366 120.570 0.438 0.000 2.423 204 I HA -0.273 3.900 4.170 0.005 0.000 0.254 204 I C 1.945 178.257 176.117 0.325 0.000 1.151 204 I CA 1.525 63.086 61.300 0.436 0.000 1.421 204 I CB -0.091 38.101 38.000 0.320 0.000 1.079 204 I HN 0.553 nan 8.210 nan 0.000 0.431 205 A N 0.135 123.106 122.820 0.251 0.000 2.066 205 A HA -0.207 4.116 4.320 0.005 0.000 0.218 205 A C 2.037 179.694 177.584 0.121 0.000 1.157 205 A CA 1.130 53.264 52.037 0.161 0.000 0.670 205 A CB -0.878 18.203 19.000 0.136 0.000 0.804 205 A HN 0.624 nan 8.150 nan 0.000 0.453 206 F N -0.971 118.997 119.950 0.031 0.000 2.128 206 F HA -0.064 4.467 4.527 0.005 0.000 0.295 206 F C 1.763 177.407 175.800 -0.260 0.000 1.100 206 F CA 1.238 59.147 58.000 -0.151 0.000 1.260 206 F CB -0.504 38.353 39.000 -0.238 0.000 1.009 206 F HN 0.339 nan 8.300 nan 0.000 0.476 207 W N 0.973 122.232 121.300 -0.068 0.000 2.525 207 W HA -0.036 4.627 4.660 0.005 0.000 0.259 207 W C 2.170 178.570 176.519 -0.198 0.000 1.253 207 W CA 0.848 58.076 57.345 -0.195 0.000 1.262 207 W CB -0.402 29.070 29.460 0.021 0.000 1.122 207 W HN 0.114 nan 8.180 nan 0.000 0.607 208 Q N -0.438 119.379 119.800 0.029 0.000 2.425 208 Q HA 0.123 4.466 4.340 0.005 0.000 0.204 208 Q C 1.329 177.274 176.000 -0.093 0.000 0.933 208 Q CA 0.386 56.188 55.803 -0.001 0.000 0.939 208 Q CB 0.162 28.926 28.738 0.044 0.000 1.044 208 Q HN 0.197 nan 8.270 nan 0.000 0.513 209 G N -0.108 108.570 108.800 -0.203 0.000 2.795 209 G HA2 0.466 4.429 3.960 0.005 0.000 0.267 209 G HA3 0.466 4.429 3.960 0.005 0.000 0.267 209 G C -0.733 173.990 174.900 -0.294 0.000 1.362 209 G CA -0.819 44.156 45.100 -0.209 0.000 1.048 209 G HN 0.095 nan 8.290 nan 0.000 0.547 210 L N 1.553 122.625 121.223 -0.252 0.000 2.462 210 L HA 0.158 4.501 4.340 0.005 0.000 0.283 210 L C 0.162 176.798 176.870 -0.390 0.000 1.166 210 L CA -0.439 54.245 54.840 -0.259 0.000 0.964 210 L CB 0.226 42.196 42.059 -0.149 0.000 1.294 210 L HN 0.004 nan 8.230 nan 0.000 0.449 211 V N 5.651 125.216 119.914 -0.581 0.000 2.763 211 V HA 0.052 4.175 4.120 0.005 0.000 0.306 211 V C -1.633 174.248 176.094 -0.355 0.000 1.059 211 V CA -1.122 60.725 62.300 -0.756 0.000 1.138 211 V CB 0.438 31.722 31.823 -0.900 0.000 0.940 211 V HN 0.564 nan 8.190 nan 0.000 0.489 212 P HA 0.106 nan 4.420 nan 0.000 0.267 212 P C 0.425 177.837 177.300 0.187 0.000 1.205 212 P CA 0.180 63.227 63.100 -0.088 0.000 0.765 212 P CB 0.719 32.363 31.700 -0.093 0.000 0.828 213 G N 2.044 110.980 108.800 0.226 0.000 3.820 213 G HA2 0.030 3.993 3.960 0.005 0.000 0.293 213 G HA3 0.030 3.993 3.960 0.005 0.000 0.293 213 G C 0.419 175.609 174.900 0.484 0.000 1.152 213 G CA -0.281 45.008 45.100 0.315 0.000 0.921 213 G HN 0.494 nan 8.290 nan 0.000 0.544 214 D N -1.042 119.567 120.400 0.349 0.000 2.398 214 D HA 0.116 4.759 4.640 0.005 0.000 0.210 214 D C 0.584 176.882 176.300 -0.003 0.000 1.094 214 D CA -0.136 54.006 54.000 0.237 0.000 0.839 214 D CB 0.666 41.557 40.800 0.152 0.000 0.963 214 D HN 0.070 nan 8.370 nan 0.000 0.506 215 S N -0.344 115.380 115.700 0.040 0.000 2.540 215 S HA 0.341 4.814 4.470 0.005 0.000 0.275 215 S C 0.501 174.994 174.600 -0.180 0.000 1.123 215 S CA -0.321 57.747 58.200 -0.221 0.000 0.907 215 S CB 1.641 64.849 63.200 0.013 0.000 1.081 215 S HN 0.061 nan 8.310 nan 0.000 0.476 216 S N 3.553 119.003 115.700 -0.417 0.000 2.603 216 S HA -0.016 4.457 4.470 0.005 0.000 0.229 216 S C 1.544 176.142 174.600 -0.003 0.000 0.972 216 S CA 0.337 58.501 58.200 -0.059 0.000 0.935 216 S CB -0.368 62.813 63.200 -0.030 0.000 0.769 216 S HN 0.755 nan 8.310 nan 0.000 0.536 217 R N 0.360 120.807 120.500 -0.089 0.000 2.148 217 R HA -0.033 4.310 4.340 0.005 0.000 0.227 217 R C 0.443 176.624 176.300 -0.198 0.000 1.103 217 R CA 1.137 57.093 56.100 -0.240 0.000 0.983 217 R CB -0.135 29.859 30.300 -0.511 0.000 0.874 217 R HN 0.582 nan 8.270 nan 0.000 0.451 218 Y N -0.319 120.186 120.300 0.341 0.000 2.612 218 Y HA 0.277 4.830 4.550 0.004 0.000 0.250 218 Y C 0.113 176.402 175.900 0.648 0.000 1.175 218 Y CA -0.477 57.982 58.100 0.599 0.000 1.205 218 Y CB 0.768 39.602 38.460 0.624 0.000 1.201 218 Y HN -0.047 nan 8.280 nan 0.000 0.532 219 L N 3.942 125.425 121.223 0.433 0.000 2.328 219 L HA 0.176 4.519 4.340 0.005 0.000 0.280 219 L C -0.017 176.908 176.870 0.092 0.000 1.111 219 L CA -0.489 54.440 54.840 0.148 0.000 0.909 219 L CB -0.188 41.874 42.059 0.006 0.000 1.277 219 L HN 0.342 nan 8.230 nan 0.000 0.433 220 W N 3.733 125.193 121.300 0.266 0.000 2.034 220 W HA 0.285 4.948 4.660 0.005 0.000 0.357 220 W C 0.403 176.962 176.519 0.067 0.000 1.326 220 W CA -0.004 57.399 57.345 0.098 0.000 1.318 220 W CB -0.217 29.221 29.460 -0.036 0.000 1.193 220 W HN 0.564 nan 8.180 nan 0.000 0.620 221 T N -3.837 110.913 114.554 0.326 0.000 3.073 221 T HA 0.179 4.532 4.350 0.005 0.000 0.264 221 T C -0.039 174.792 174.700 0.219 0.000 0.893 221 T CA -0.226 61.992 62.100 0.197 0.000 0.863 221 T CB 0.350 69.266 68.868 0.079 0.000 1.247 221 T HN 0.484 nan 8.240 nan 0.000 0.546 222 E N 1.697 122.009 120.200 0.188 0.000 2.299 222 E HA 0.654 5.007 4.350 0.005 0.000 0.260 222 E C -0.762 175.820 176.600 -0.030 0.000 0.944 222 E CA -1.058 55.380 56.400 0.063 0.000 0.815 222 E CB 2.016 31.713 29.700 -0.004 0.000 1.252 222 E HN 0.392 nan 8.360 nan 0.000 0.418 223 T N -2.049 112.448 114.554 -0.097 0.000 2.901 223 T HA 0.419 4.772 4.350 0.005 0.000 0.293 223 T C -0.669 173.897 174.700 -0.223 0.000 1.084 223 T CA -0.871 61.120 62.100 -0.181 0.000 1.008 223 T CB 0.856 69.669 68.868 -0.091 0.000 1.170 223 T HN 0.394 nan 8.240 nan 0.000 0.509 224 H N 1.732 120.793 119.070 -0.015 0.000 2.629 224 H HA 0.475 5.034 4.556 0.005 0.000 0.357 224 H C -1.860 173.473 175.328 0.008 0.000 1.121 224 H CA -0.698 55.362 56.048 0.020 0.000 1.406 224 H CB 0.644 30.440 29.762 0.057 0.000 1.456 224 H HN 0.492 nan 8.280 nan 0.000 0.579 225 P HA -0.013 nan 4.420 nan 0.000 0.278 225 P C 0.685 178.027 177.300 0.071 0.000 1.258 225 P CA -0.587 62.552 63.100 0.066 0.000 0.811 225 P CB 1.377 33.106 31.700 0.049 0.000 1.063 226 L N 1.099 122.334 121.223 0.019 0.000 2.081 226 L HA -0.164 4.179 4.340 0.005 0.000 0.212 226 L C 1.370 178.261 176.870 0.035 0.000 1.080 226 L CA 2.085 56.928 54.840 0.005 0.000 0.754 226 L CB -1.163 40.867 42.059 -0.048 0.000 0.893 226 L HN 0.231 nan 8.230 nan 0.000 0.433 227 D N -0.620 119.804 120.400 0.039 0.000 2.363 227 D HA -0.077 4.566 4.640 0.005 0.000 0.226 227 D C 0.927 177.279 176.300 0.085 0.000 1.020 227 D CA 0.484 54.518 54.000 0.056 0.000 0.892 227 D CB 0.045 40.866 40.800 0.035 0.000 0.900 227 D HN 0.465 nan 8.370 nan 0.000 0.531 228 D N -0.570 119.894 120.400 0.108 0.000 2.360 228 D HA 0.119 4.762 4.640 0.005 0.000 0.210 228 D C 0.525 176.925 176.300 0.167 0.000 1.047 228 D CA 0.094 54.164 54.000 0.118 0.000 0.854 228 D CB 0.791 41.690 40.800 0.166 0.000 0.936 228 D HN 0.192 nan 8.370 nan 0.000 0.514 229 L N 0.912 122.221 121.223 0.144 0.000 2.334 229 L HA 0.407 4.750 4.340 0.005 0.000 0.275 229 L C -2.221 174.631 176.870 -0.029 0.000 1.036 229 L CA -2.200 52.682 54.840 0.071 0.000 0.807 229 L CB 1.175 43.279 42.059 0.074 0.000 1.231 229 L HN -0.351 nan 8.230 nan 0.000 0.438 230 P HA 0.108 nan 4.420 nan 0.000 0.261 230 P C -1.156 176.082 177.300 -0.103 0.000 1.183 230 P CA 0.376 63.018 63.100 -0.763 0.000 0.761 230 P CB 0.376 31.380 31.700 -1.160 0.000 0.785 231 R N 1.647 122.220 120.500 0.121 0.000 2.668 231 R HA 0.715 5.058 4.340 0.005 0.000 0.272 231 R C -1.542 175.029 176.300 0.451 0.000 1.019 231 R CA -1.058 55.197 56.100 0.259 0.000 0.894 231 R CB 2.038 32.432 30.300 0.158 0.000 1.228 231 R HN 0.105 nan 8.270 nan 0.000 0.460 232 V N 0.966 121.143 119.914 0.440 0.000 2.686 232 V HA 0.515 4.638 4.120 0.005 0.000 0.306 232 V C -0.747 175.484 176.094 0.229 0.000 1.065 232 V CA -0.700 61.808 62.300 0.347 0.000 0.894 232 V CB 2.336 34.351 31.823 0.320 0.000 1.004 232 V HN 0.817 nan 8.190 nan 0.000 0.424 233 T N 3.813 118.453 114.554 0.143 0.000 2.890 233 T HA 0.409 4.762 4.350 0.005 0.000 0.295 233 T C -0.169 174.525 174.700 -0.011 0.000 0.993 233 T CA -0.467 61.663 62.100 0.051 0.000 0.979 233 T CB 0.663 69.574 68.868 0.071 0.000 0.967 233 T HN 0.720 nan 8.240 nan 0.000 0.441 234 N N 2.773 121.441 118.700 -0.052 0.000 2.671 234 N HA -0.104 4.639 4.740 0.005 0.000 0.261 234 N C -2.403 173.087 175.510 -0.033 0.000 1.053 234 N CA 0.317 53.335 53.050 -0.053 0.000 0.732 234 N CB -0.725 37.721 38.487 -0.068 0.000 0.887 234 N HN 0.466 nan 8.380 nan 0.000 0.546 235 P HA 0.188 nan 4.420 nan 0.000 0.274 235 P C -1.573 175.694 177.300 -0.055 0.000 1.256 235 P CA -1.047 62.019 63.100 -0.057 0.000 0.795 235 P CB 0.612 32.244 31.700 -0.112 0.000 1.038 236 P HA -0.135 nan 4.420 nan 0.000 0.215 236 P C 1.694 178.976 177.300 -0.030 0.000 1.153 236 P CA 1.930 65.003 63.100 -0.045 0.000 0.853 236 P CB -0.577 31.085 31.700 -0.062 0.000 0.788 237 G N -1.054 107.716 108.800 -0.050 0.000 2.501 237 G HA2 -0.041 3.922 3.960 0.005 0.000 0.220 237 G HA3 -0.041 3.922 3.960 0.005 0.000 0.220 237 G C 1.215 176.192 174.900 0.128 0.000 1.114 237 G CA 0.824 45.944 45.100 0.034 0.000 0.757 237 G HN 0.506 nan 8.290 nan 0.000 0.559 238 G N -1.461 107.367 108.800 0.047 0.000 2.143 238 G HA2 -0.034 3.929 3.960 0.005 0.000 0.248 238 G HA3 -0.034 3.929 3.960 0.005 0.000 0.248 238 G C 0.160 175.177 174.900 0.196 0.000 0.991 238 G CA 0.560 45.715 45.100 0.092 0.000 0.689 238 G HN 1.717 nan 8.290 nan 0.000 0.522 239 F N -2.293 117.656 119.950 -0.002 0.000 2.744 239 F HA 0.710 5.240 4.527 0.005 0.000 0.311 239 F C -0.675 175.153 175.800 0.046 0.000 1.144 239 F CA -1.028 56.975 58.000 0.005 0.000 0.938 239 F CB 0.862 39.834 39.000 -0.048 0.000 1.292 239 F HN 0.799 nan 8.300 nan 0.000 0.444 240 V N 0.199 120.194 119.914 0.135 0.000 3.102 240 V HA 0.924 5.047 4.120 0.005 0.000 0.312 240 V C -1.362 174.960 176.094 0.380 0.000 1.135 240 V CA -0.537 61.783 62.300 0.034 0.000 1.022 240 V CB 1.666 33.571 31.823 0.137 0.000 1.056 240 V HN 1.366 nan 8.190 nan 0.000 0.436 241 Q N 2.366 122.330 119.800 0.272 0.000 2.578 241 Q HA 0.457 4.800 4.340 0.005 0.000 0.284 241 Q C -2.510 173.625 176.000 0.225 0.000 0.960 241 Q CA -0.430 55.642 55.803 0.450 0.000 0.809 241 Q CB 2.512 31.650 28.738 0.667 0.000 1.462 241 Q HN 1.101 nan 8.270 nan 0.000 0.392 242 N N 1.191 120.058 118.700 0.278 0.000 2.600 242 N HA 0.220 4.963 4.740 0.005 0.000 0.272 242 N C -1.693 173.902 175.510 0.142 0.000 1.095 242 N CA -0.057 53.094 53.050 0.168 0.000 0.993 242 N CB 1.692 40.303 38.487 0.206 0.000 1.603 242 N HN 0.470 nan 8.380 nan 0.000 0.526 243 S N 2.674 118.438 115.700 0.106 0.000 2.499 243 S HA 0.254 4.726 4.470 0.005 0.000 0.238 243 S C 0.390 175.006 174.600 0.027 0.000 1.205 243 S CA -0.430 57.792 58.200 0.037 0.000 1.203 243 S CB -0.296 62.954 63.200 0.083 0.000 0.954 243 S HN 0.728 nan 8.310 nan 0.000 0.484 244 N N 1.416 120.139 118.700 0.038 0.000 2.972 244 N HA -0.130 4.613 4.740 0.005 0.000 0.225 244 N C -0.475 175.025 175.510 -0.017 0.000 0.883 244 N CA 1.546 54.618 53.050 0.036 0.000 1.010 244 N CB -1.365 37.150 38.487 0.045 0.000 1.052 244 N HN 0.669 nan 8.380 nan 0.000 0.598 245 D N 1.459 121.812 120.400 -0.079 0.000 2.378 245 D HA 0.253 4.896 4.640 0.005 0.000 0.238 245 D C -2.239 173.876 176.300 -0.308 0.000 1.180 245 D CA -0.914 52.921 54.000 -0.275 0.000 0.895 245 D CB -0.163 40.352 40.800 -0.474 0.000 1.192 245 D HN 0.052 nan 8.370 nan 0.000 0.438 246 P HA 0.045 nan 4.420 nan 0.000 0.269 246 P C -1.833 175.113 177.300 -0.590 0.000 1.211 246 P CA -0.659 62.191 63.100 -0.416 0.000 0.781 246 P CB -0.115 31.434 31.700 -0.251 0.000 0.877 247 P HA -0.012 nan 4.420 nan 0.000 0.259 247 P C -0.039 177.055 177.300 -0.343 0.000 1.480 247 P CA 0.543 63.258 63.100 -0.642 0.000 0.842 247 P CB -0.551 30.737 31.700 -0.687 0.000 1.513 248 W N 0.371 121.793 121.300 0.204 0.000 3.197 248 W HA 0.089 4.752 4.660 0.006 0.000 0.274 248 W C 0.677 177.327 176.519 0.218 0.000 1.297 248 W CA 0.093 57.602 57.345 0.273 0.000 1.662 248 W CB 0.118 29.790 29.460 0.352 0.000 1.106 248 W HN 0.072 nan 8.180 nan 0.000 0.663 249 T N -3.316 111.480 114.554 0.403 0.000 3.658 249 T HA 0.186 4.539 4.350 0.005 0.000 0.245 249 T C -1.751 173.020 174.700 0.118 0.000 1.292 249 T CA -1.446 60.841 62.100 0.312 0.000 1.598 249 T CB 0.782 69.894 68.868 0.407 0.000 0.861 249 T HN -0.222 nan 8.240 nan 0.000 0.663 250 P HA 0.141 nan 4.420 nan 0.000 0.231 250 P C 0.508 177.643 177.300 -0.275 0.000 1.168 250 P CA 0.680 63.601 63.100 -0.299 0.000 0.779 250 P CB 0.423 31.784 31.700 -0.566 0.000 0.844 251 T N -2.727 111.664 114.554 -0.272 0.000 2.821 251 T HA 0.254 4.607 4.350 0.005 0.000 0.306 251 T C -0.903 173.724 174.700 -0.122 0.000 1.313 251 T CA -0.738 60.981 62.100 -0.634 0.000 1.012 251 T CB 0.601 69.119 68.868 -0.583 0.000 1.298 251 T HN 0.016 nan 8.240 nan 0.000 0.502 252 W N 1.740 122.855 121.300 -0.308 0.000 2.560 252 W HA 0.238 4.901 4.660 0.004 0.000 0.303 252 W C -1.775 174.718 176.519 -0.044 0.000 1.151 252 W CA -0.327 57.022 57.345 0.007 0.000 1.426 252 W CB -0.468 29.112 29.460 0.200 0.000 1.135 252 W HN 0.467 nan 8.180 nan 0.000 0.522 253 P HA -0.003 nan 4.420 nan 0.000 0.264 253 P C -0.187 176.950 177.300 -0.272 0.000 1.229 253 P CA 0.475 63.315 63.100 -0.433 0.000 0.780 253 P CB 1.054 32.600 31.700 -0.257 0.000 0.808 254 V N 3.797 123.533 119.914 -0.296 0.000 2.963 254 V HA 0.043 4.166 4.120 0.005 0.000 0.306 254 V C 1.582 177.558 176.094 -0.196 0.000 1.077 254 V CA 1.101 63.292 62.300 -0.182 0.000 1.124 254 V CB 1.034 32.805 31.823 -0.087 0.000 0.987 254 V HN 0.705 nan 8.190 nan 0.000 0.487 255 T N 0.335 114.742 114.554 -0.243 0.000 3.084 255 T HA 0.338 4.691 4.350 0.005 0.000 0.270 255 T C -0.320 174.405 174.700 0.042 0.000 1.008 255 T CA 0.203 62.240 62.100 -0.105 0.000 0.900 255 T CB -0.143 68.707 68.868 -0.029 0.000 1.084 255 T HN 0.771 nan 8.240 nan 0.000 0.538 256 Y N -1.121 119.267 120.300 0.148 0.000 2.814 256 Y HA 0.677 5.230 4.550 0.005 0.000 0.348 256 Y C -0.979 175.039 175.900 0.195 0.000 1.245 256 Y CA -1.299 56.915 58.100 0.191 0.000 1.086 256 Y CB 0.532 39.211 38.460 0.364 0.000 1.373 256 Y HN 0.197 nan 8.280 nan 0.000 0.451 257 T N -3.476 111.364 114.554 0.477 0.000 2.864 257 T HA 0.479 4.832 4.350 0.005 0.000 0.299 257 T C -2.797 171.863 174.700 -0.065 0.000 1.166 257 T CA -2.301 59.915 62.100 0.192 0.000 1.007 257 T CB 2.203 71.090 68.868 0.033 0.000 1.219 257 T HN 0.339 nan 8.240 nan 0.000 0.506 258 P HA -0.130 nan 4.420 nan 0.000 0.217 258 P C 0.953 178.046 177.300 -0.344 0.000 1.148 258 P CA 1.213 63.742 63.100 -0.951 0.000 0.834 258 P CB -0.043 31.091 31.700 -0.943 0.000 0.783 259 K N -0.867 119.416 120.400 -0.196 0.000 2.209 259 K HA -0.103 4.219 4.320 0.005 0.000 0.204 259 K C 1.364 177.882 176.600 -0.136 0.000 1.048 259 K CA 1.091 57.302 56.287 -0.126 0.000 0.940 259 K CB -0.783 31.661 32.500 -0.093 0.000 0.729 259 K HN 0.166 nan 8.250 nan 0.000 0.451 260 D N -0.611 119.704 120.400 -0.141 0.000 2.378 260 D HA 0.018 4.661 4.640 0.005 0.000 0.227 260 D C -0.446 175.355 176.300 -0.830 0.000 1.012 260 D CA 0.684 54.449 54.000 -0.393 0.000 0.905 260 D CB 0.123 40.709 40.800 -0.357 0.000 0.895 260 D HN 0.051 nan 8.370 nan 0.000 0.532 261 F N -0.786 119.085 119.950 -0.133 0.000 2.643 261 F HA 0.358 4.888 4.527 0.005 0.000 0.314 261 F C -2.097 173.578 175.800 -0.208 0.000 1.096 261 F CA -2.551 55.358 58.000 -0.151 0.000 0.953 261 F CB 0.761 39.712 39.000 -0.081 0.000 1.345 261 F HN -0.406 nan 8.300 nan 0.000 0.468 262 P HA 0.087 nan 4.420 nan 0.000 0.265 262 P C 0.362 177.433 177.300 -0.382 0.000 1.193 262 P CA 0.075 62.903 63.100 -0.453 0.000 0.765 262 P CB 0.660 31.753 31.700 -1.012 0.000 0.823 263 S N 1.314 116.882 115.700 -0.220 0.000 2.603 263 S HA -0.147 4.326 4.470 0.005 0.000 0.229 263 S C 1.223 175.890 174.600 0.112 0.000 0.972 263 S CA 0.413 58.612 58.200 -0.001 0.000 0.935 263 S CB -1.249 61.998 63.200 0.078 0.000 0.769 263 S HN 0.639 nan 8.310 nan 0.000 0.536 264 Y N -0.846 119.570 120.300 0.193 0.000 2.478 264 Y HA 0.475 5.028 4.550 0.005 0.000 0.261 264 Y C 1.676 177.654 175.900 0.130 0.000 1.127 264 Y CA -0.771 57.453 58.100 0.206 0.000 1.288 264 Y CB -0.346 38.216 38.460 0.171 0.000 1.084 264 Y HN 0.082 nan 8.280 nan 0.000 0.530 265 L N 1.023 122.333 121.223 0.144 0.000 1.994 265 L HA 0.021 4.364 4.340 0.005 0.000 0.208 265 L C 1.082 178.050 176.870 0.163 0.000 1.071 265 L CA 1.198 56.134 54.840 0.160 0.000 0.745 265 L CB -0.433 41.591 42.059 -0.059 0.000 0.892 265 L HN 0.429 nan 8.230 nan 0.000 0.431 266 A N -1.643 121.216 122.820 0.065 0.000 2.556 266 A HA 0.688 5.011 4.320 0.005 0.000 0.294 266 A C -2.570 175.134 177.584 0.200 0.000 1.091 266 A CA -1.166 50.895 52.037 0.039 0.000 0.704 266 A CB 1.232 19.937 19.000 -0.491 0.000 1.300 266 A HN -0.126 nan 8.150 nan 0.000 0.406 267 P HA 0.431 nan 4.420 nan 0.000 0.279 267 P C -0.853 176.695 177.300 0.413 0.000 1.282 267 P CA -0.199 63.049 63.100 0.248 0.000 0.788 267 P CB 0.447 32.245 31.700 0.163 0.000 1.139 268 Q N -0.620 119.388 119.800 0.347 0.000 2.470 268 Q HA 0.220 4.563 4.340 0.005 0.000 0.389 268 Q C -0.446 175.715 176.000 0.268 0.000 0.888 268 Q CA -0.243 55.797 55.803 0.394 0.000 1.106 268 Q CB 0.356 29.247 28.738 0.256 0.000 1.368 268 Q HN 0.510 nan 8.270 nan 0.000 0.403 269 T N -3.062 111.600 114.554 0.180 0.000 2.936 269 T HA 0.576 4.929 4.350 0.005 0.000 0.282 269 T C -2.513 172.059 174.700 -0.215 0.000 1.003 269 T CA -2.291 59.833 62.100 0.039 0.000 1.005 269 T CB 1.206 70.088 68.868 0.023 0.000 1.097 269 T HN -0.110 nan 8.240 nan 0.000 0.532 270 P HA 0.206 nan 4.420 nan 0.000 0.266 270 P C -0.497 176.373 177.300 -0.717 0.000 1.195 270 P CA -0.033 62.406 63.100 -1.102 0.000 0.768 270 P CB 0.121 31.476 31.700 -0.575 0.000 0.838 271 H N -0.009 118.371 119.070 -1.150 0.000 2.562 271 H HA 0.235 4.794 4.556 0.005 0.000 0.352 271 H C 0.736 175.943 175.328 -0.203 0.000 1.125 271 H CA -0.139 55.678 56.048 -0.385 0.000 1.379 271 H CB 0.255 29.973 29.762 -0.073 0.000 1.464 271 H HN 0.264 nan 8.280 nan 0.000 0.563 272 S N 1.304 117.033 115.700 0.050 0.000 2.566 272 S HA 0.001 4.474 4.470 0.005 0.000 0.280 272 S C 1.806 176.496 174.600 0.149 0.000 1.343 272 S CA -0.441 57.814 58.200 0.092 0.000 1.036 272 S CB 0.280 63.544 63.200 0.106 0.000 0.866 272 S HN 0.494 nan 8.310 nan 0.000 0.526 273 L N 2.347 123.672 121.223 0.170 0.000 2.201 273 L HA -0.061 4.282 4.340 0.005 0.000 0.212 273 L C 2.605 179.604 176.870 0.214 0.000 1.105 273 L CA 1.082 56.038 54.840 0.193 0.000 0.775 273 L CB -0.403 41.785 42.059 0.214 0.000 0.913 273 L HN 0.661 nan 8.230 nan 0.000 0.440 274 R N 0.797 121.429 120.500 0.220 0.000 2.075 274 R HA -0.130 4.213 4.340 0.005 0.000 0.232 274 R C 2.373 178.844 176.300 0.286 0.000 1.126 274 R CA 1.335 57.588 56.100 0.255 0.000 0.963 274 R CB -0.212 30.199 30.300 0.185 0.000 0.858 274 R HN 0.262 nan 8.270 nan 0.000 0.435 275 A N 0.981 123.934 122.820 0.222 0.000 1.877 275 A HA -0.209 4.114 4.320 0.005 0.000 0.216 275 A C 2.094 179.837 177.584 0.265 0.000 1.186 275 A CA 1.563 53.739 52.037 0.232 0.000 0.620 275 A CB -0.551 18.543 19.000 0.156 0.000 0.822 275 A HN 0.541 nan 8.150 nan 0.000 0.443 276 Q N -0.945 118.999 119.800 0.239 0.000 2.096 276 Q HA -0.205 4.138 4.340 0.005 0.000 0.204 276 Q C 2.322 178.400 176.000 0.130 0.000 0.982 276 Q CA 1.440 57.351 55.803 0.179 0.000 0.850 276 Q CB -0.196 28.646 28.738 0.173 0.000 0.901 276 Q HN 0.620 nan 8.270 nan 0.000 0.422 277 Q N -0.033 119.872 119.800 0.175 0.000 2.119 277 Q HA -0.133 4.210 4.340 0.005 0.000 0.201 277 Q C 2.250 178.321 176.000 0.118 0.000 0.972 277 Q CA 1.246 57.128 55.803 0.132 0.000 0.847 277 Q CB -0.288 28.569 28.738 0.198 0.000 0.903 277 Q HN 0.274 nan 8.270 nan 0.000 0.433 278 S N 0.033 115.911 115.700 0.297 0.000 2.365 278 S HA -0.137 4.336 4.470 0.005 0.000 0.225 278 S C 2.053 176.762 174.600 0.182 0.000 1.039 278 S CA 1.532 59.984 58.200 0.419 0.000 1.033 278 S CB -0.131 63.474 63.200 0.675 0.000 0.887 278 S HN 0.200 nan 8.310 nan 0.000 0.447 279 V N 2.225 122.221 119.914 0.137 0.000 2.358 279 V HA -0.092 4.031 4.120 0.005 0.000 0.246 279 V C 2.771 178.760 176.094 -0.175 0.000 1.047 279 V CA 1.880 64.202 62.300 0.036 0.000 1.035 279 V CB -0.689 31.142 31.823 0.013 0.000 0.658 279 V HN 0.444 nan 8.190 nan 0.000 0.452 280 R N -0.624 119.782 120.500 -0.157 0.000 2.090 280 R HA 0.050 4.393 4.340 0.005 0.000 0.228 280 R C 1.123 177.268 176.300 -0.257 0.000 1.110 280 R CA 0.547 56.529 56.100 -0.198 0.000 0.973 280 R CB -0.304 29.915 30.300 -0.134 0.000 0.869 280 R HN 0.368 nan 8.270 nan 0.000 0.440 284 E N 1.945 122.039 120.200 -0.177 0.000 2.478 284 E HA 0.191 4.544 4.350 0.005 0.000 0.198 284 E C -0.244 176.275 176.600 -0.135 0.000 1.046 284 E CA 0.309 56.635 56.400 -0.123 0.000 0.870 284 E CB -0.032 29.592 29.700 -0.127 0.000 0.818 284 E HN 0.471 nan 8.360 nan 0.000 0.527 285 N N 0.948 119.535 118.700 -0.190 0.000 2.314 285 N HA 0.233 4.976 4.740 0.005 0.000 0.304 285 N C -1.144 174.281 175.510 -0.142 0.000 1.073 285 N CA -0.356 52.595 53.050 -0.166 0.000 0.822 285 N CB 2.035 40.398 38.487 -0.205 0.000 1.280 285 N HN -0.092 nan 8.380 nan 0.000 0.489 286 D N -0.806 119.533 120.400 -0.101 0.000 2.531 286 D HA 0.265 4.908 4.640 0.005 0.000 0.244 286 D C -1.019 175.237 176.300 -0.073 0.000 1.090 286 D CA -0.157 53.796 54.000 -0.078 0.000 0.989 286 D CB 1.275 42.044 40.800 -0.053 0.000 1.433 286 D HN 0.437 nan 8.370 nan 0.000 0.492 287 D N 0.048 120.410 120.400 -0.064 0.000 2.701 287 D HA -0.176 4.467 4.640 0.005 0.000 0.235 287 D C -0.582 175.677 176.300 -0.068 0.000 1.155 287 D CA 0.490 54.454 54.000 -0.060 0.000 0.649 287 D CB -0.778 39.993 40.800 -0.049 0.000 1.050 287 D HN 0.266 nan 8.370 nan 0.000 0.425 288 L N 0.095 121.268 121.223 -0.084 0.000 2.485 288 L HA 0.199 4.542 4.340 0.005 0.000 0.275 288 L C 1.464 178.282 176.870 -0.086 0.000 1.207 288 L CA 0.602 55.391 54.840 -0.085 0.000 0.855 288 L CB 0.519 42.515 42.059 -0.105 0.000 1.114 288 L HN 0.192 nan 8.230 nan 0.000 0.485 289 T N -0.615 113.904 114.554 -0.059 0.000 2.950 289 T HA 0.303 4.656 4.350 0.005 0.000 0.288 289 T C 1.044 175.721 174.700 -0.039 0.000 1.035 289 T CA -0.936 61.128 62.100 -0.059 0.000 1.028 289 T CB 1.500 70.342 68.868 -0.044 0.000 1.109 289 T HN 0.525 nan 8.240 nan 0.000 0.514 290 L N 0.327 121.519 121.223 -0.052 0.000 2.013 290 L HA -0.159 4.184 4.340 0.005 0.000 0.212 290 L C 2.582 179.473 176.870 0.034 0.000 1.073 290 L CA 1.949 56.782 54.840 -0.010 0.000 0.753 290 L CB -0.455 41.596 42.059 -0.014 0.000 0.890 290 L HN 0.799 nan 8.230 nan 0.000 0.432 291 E N -0.453 119.729 120.200 -0.029 0.000 2.058 291 E HA -0.283 4.070 4.350 0.005 0.000 0.194 291 E C 2.127 178.714 176.600 -0.022 0.000 0.997 291 E CA 1.422 57.787 56.400 -0.058 0.000 0.801 291 E CB -0.191 29.467 29.700 -0.070 0.000 0.746 291 E HN 0.243 nan 8.360 nan 0.000 0.450 292 R N -0.215 120.286 120.500 0.001 0.000 2.092 292 R HA -0.003 4.340 4.340 0.005 0.000 0.231 292 R C 0.658 176.989 176.300 0.052 0.000 1.119 292 R CA 0.380 56.479 56.100 -0.001 0.000 0.970 292 R CB -0.623 29.664 30.300 -0.022 0.000 0.864 292 R HN 0.120 nan 8.270 nan 0.000 0.440 296 L N 0.626 121.818 121.223 -0.052 0.000 2.079 296 L HA -0.210 4.133 4.340 0.005 0.000 0.210 296 L C 2.679 179.551 176.870 0.004 0.000 1.081 296 L CA 1.838 56.653 54.840 -0.042 0.000 0.752 296 L CB -0.270 41.742 42.059 -0.077 0.000 0.896 296 L HN 0.583 nan 8.230 nan 0.000 0.433 297 Q N 0.687 120.475 119.800 -0.021 0.000 2.226 297 Q HA -0.166 4.177 4.340 0.005 0.000 0.204 297 Q C 2.062 178.127 176.000 0.108 0.000 0.975 297 Q CA 1.307 57.072 55.803 -0.062 0.000 0.866 297 Q CB -0.038 28.565 28.738 -0.225 0.000 0.915 297 Q HN 0.578 nan 8.270 nan 0.000 0.440 298 L N 0.559 121.816 121.223 0.057 0.000 2.552 298 L HA 0.049 4.391 4.340 0.005 0.000 0.227 298 L C 0.910 177.800 176.870 0.033 0.000 1.146 298 L CA -0.264 54.635 54.840 0.097 0.000 0.858 298 L CB -0.170 41.938 42.059 0.082 0.000 0.969 298 L HN -0.126 nan 8.230 nan 0.000 0.451 299 S N 1.075 116.778 115.700 0.006 0.000 2.702 299 S HA -0.107 4.366 4.470 0.005 0.000 0.314 299 S C 0.545 175.207 174.600 0.103 0.000 1.244 299 S CA 0.248 58.415 58.200 -0.055 0.000 1.058 299 S CB -0.374 62.826 63.200 -0.001 0.000 0.783 299 S HN 0.471 nan 8.310 nan 0.000 0.503 300 H N 1.332 120.506 119.070 0.174 0.000 2.439 300 H HA 0.464 5.023 4.556 0.005 0.000 0.230 300 H C -0.180 175.251 175.328 0.170 0.000 1.420 300 H CA -0.845 55.354 56.048 0.251 0.000 1.305 300 H CB 0.177 30.110 29.762 0.285 0.000 1.667 300 H HN 0.450 nan 8.280 nan 0.000 0.515 301 R N 1.394 122.041 120.500 0.245 0.000 2.349 301 R HA 0.536 4.879 4.340 0.005 0.000 0.299 301 R C -0.270 176.021 176.300 -0.016 0.000 1.027 301 R CA -0.411 55.703 56.100 0.022 0.000 0.958 301 R CB 1.059 31.338 30.300 -0.035 0.000 1.047 301 R HN 0.462 nan 8.270 nan 0.000 0.468 302 A N 5.230 127.784 122.820 -0.443 0.000 3.118 302 A HA 0.232 4.555 4.320 0.005 0.000 0.256 302 A C 0.225 177.693 177.584 -0.195 0.000 1.667 302 A CA -0.595 51.185 52.037 -0.428 0.000 1.338 302 A CB -0.553 17.766 19.000 -1.136 0.000 1.127 302 A HN 0.568 nan 8.150 nan 0.000 0.634 306 D N 0.585 120.920 120.400 -0.109 0.000 2.218 306 D HA -0.096 4.547 4.640 0.005 0.000 0.204 306 D C 1.505 177.890 176.300 0.141 0.000 0.976 306 D CA 0.864 54.855 54.000 -0.015 0.000 0.853 306 D CB -0.024 40.765 40.800 -0.018 0.000 0.939 306 D HN 0.316 nan 8.370 nan 0.000 0.481 307 R N -0.141 120.477 120.500 0.196 0.000 2.300 307 R HA 0.068 4.411 4.340 0.005 0.000 0.199 307 R C 1.712 178.009 176.300 -0.006 0.000 0.920 307 R CA 0.630 56.862 56.100 0.219 0.000 1.046 307 R CB 0.099 30.625 30.300 0.377 0.000 0.984 307 R HN 0.337 nan 8.270 nan 0.000 0.493 308 T N -4.165 110.420 114.554 0.052 0.000 3.098 308 T HA 0.198 4.551 4.350 0.005 0.000 0.256 308 T C 1.829 176.456 174.700 -0.120 0.000 0.921 308 T CA -0.362 61.705 62.100 -0.054 0.000 0.916 308 T CB -0.202 68.670 68.868 0.006 0.000 1.246 308 T HN -0.054 nan 8.240 nan 0.000 0.511 309 L N 1.320 122.497 121.223 -0.077 0.000 2.129 309 L HA 0.016 4.359 4.340 0.005 0.000 0.212 309 L C -0.695 176.120 176.870 -0.092 0.000 1.087 309 L CA 1.571 56.340 54.840 -0.119 0.000 0.757 309 L CB -1.648 40.352 42.059 -0.098 0.000 0.896 309 L HN 0.277 nan 8.230 nan 0.000 0.434 310 P HA -0.131 nan 4.420 nan 0.000 0.215 310 P C 0.959 178.250 177.300 -0.015 0.000 1.157 310 P CA 1.343 64.445 63.100 0.002 0.000 0.868 310 P CB 0.079 31.836 31.700 0.094 0.000 0.788 311 D N -1.295 119.082 120.400 -0.038 0.000 2.120 311 D HA -0.075 4.568 4.640 0.005 0.000 0.202 311 D C 1.883 178.135 176.300 -0.081 0.000 0.972 311 D CA 0.612 54.590 54.000 -0.036 0.000 0.837 311 D CB -1.038 39.744 40.800 -0.030 0.000 0.989 311 D HN -0.057 nan 8.370 nan 0.000 0.469 312 L N 1.390 122.516 121.223 -0.162 0.000 1.956 312 L HA -0.182 4.161 4.340 0.005 0.000 0.216 312 L C 2.216 178.968 176.870 -0.195 0.000 1.073 312 L CA 1.572 56.258 54.840 -0.256 0.000 0.762 312 L CB -0.867 40.875 42.059 -0.529 0.000 0.889 312 L HN 0.017 nan 8.230 nan 0.000 0.433 313 I N 0.319 120.789 120.570 -0.168 0.000 2.118 313 I HA -0.268 3.905 4.170 0.005 0.000 0.241 313 I C -0.290 175.782 176.117 -0.075 0.000 1.070 313 I CA 1.953 63.183 61.300 -0.117 0.000 1.327 313 I CB -1.877 36.070 38.000 -0.088 0.000 1.034 313 I HN 0.330 nan 8.210 nan 0.000 0.405 314 P HA -0.171 nan 4.420 nan 0.000 0.218 314 P C 1.391 178.672 177.300 -0.032 0.000 1.149 314 P CA 1.987 65.067 63.100 -0.033 0.000 0.817 314 P CB -0.053 31.636 31.700 -0.018 0.000 0.785 315 A N 0.764 123.561 122.820 -0.039 0.000 1.902 315 A HA -0.078 4.245 4.320 0.005 0.000 0.217 315 A C 2.486 180.050 177.584 -0.033 0.000 1.181 315 A CA 2.255 54.276 52.037 -0.028 0.000 0.623 315 A CB -1.494 17.491 19.000 -0.026 0.000 0.818 315 A HN 0.251 nan 8.150 nan 0.000 0.443 316 A N -0.579 122.206 122.820 -0.058 0.000 1.968 316 A HA 0.134 4.457 4.320 0.005 0.000 0.217 316 A C 2.061 179.623 177.584 -0.038 0.000 1.169 316 A CA 1.094 53.098 52.037 -0.055 0.000 0.638 316 A CB -0.489 18.454 19.000 -0.094 0.000 0.812 316 A HN 0.455 nan 8.150 nan 0.000 0.446 317 L N -0.002 121.199 121.223 -0.037 0.000 2.191 317 L HA -0.111 4.232 4.340 0.005 0.000 0.212 317 L C 1.977 178.838 176.870 -0.016 0.000 1.103 317 L CA 1.217 56.042 54.840 -0.026 0.000 0.769 317 L CB -0.498 41.547 42.059 -0.024 0.000 0.908 317 L HN 0.655 nan 8.230 nan 0.000 0.438 318 I N -3.361 117.201 120.570 -0.013 0.000 3.812 318 I HA 0.170 4.343 4.170 0.005 0.000 0.319 318 I C 0.093 176.208 176.117 -0.003 0.000 1.353 318 I CA -0.359 60.938 61.300 -0.006 0.000 1.170 318 I CB -0.457 37.541 38.000 -0.003 0.000 1.057 318 I HN -0.002 nan 8.210 nan 0.000 0.411 319 D N 1.931 122.327 120.400 -0.006 0.000 2.255 319 D HA 0.275 4.918 4.640 0.005 0.000 0.249 319 D C -1.611 174.689 176.300 0.000 0.000 1.078 319 D CA -1.930 52.070 54.000 -0.001 0.000 0.896 319 D CB 1.834 42.634 40.800 -0.001 0.000 1.194 319 D HN -0.091 nan 8.370 nan 0.000 0.429 320 P HA -0.056 nan 4.420 nan 0.000 0.217 320 P C -0.360 176.942 177.300 0.003 0.000 1.151 320 P CA 0.559 63.661 63.100 0.003 0.000 0.828 320 P CB 0.126 31.830 31.700 0.006 0.000 0.788 321 D N -0.260 120.143 120.400 0.004 0.000 2.363 321 D HA -0.004 4.638 4.640 0.005 0.000 0.263 321 D C -1.495 174.806 176.300 0.001 0.000 1.258 321 D CA -1.750 52.252 54.000 0.005 0.000 0.907 321 D CB 0.624 41.429 40.800 0.008 0.000 1.107 321 D HN 0.028 nan 8.370 nan 0.000 0.495 322 P HA -0.146 nan 4.420 nan 0.000 0.218 322 P C 1.083 178.381 177.300 -0.003 0.000 1.148 322 P CA 0.938 64.037 63.100 -0.002 0.000 0.822 322 P CB 0.295 31.994 31.700 -0.001 0.000 0.784 323 E N -0.444 119.756 120.200 -0.000 0.000 2.107 323 E HA -0.112 4.241 4.350 0.005 0.000 0.191 323 E C 1.755 178.354 176.600 -0.002 0.000 0.982 323 E CA 0.762 57.162 56.400 0.000 0.000 0.809 323 E CB -0.258 29.445 29.700 0.005 0.000 0.756 323 E HN -0.048 nan 8.360 nan 0.000 0.459 324 V N 1.145 121.059 119.914 -0.001 0.000 2.358 324 V HA -0.276 3.847 4.120 0.005 0.000 0.246 324 V C 2.331 178.414 176.094 -0.018 0.000 1.047 324 V CA 1.955 64.251 62.300 -0.006 0.000 1.035 324 V CB -0.550 31.271 31.823 -0.002 0.000 0.658 324 V HN 0.319 nan 8.190 nan 0.000 0.452 325 Q N -0.046 119.745 119.800 -0.015 0.000 2.061 325 Q HA -0.218 4.125 4.340 0.005 0.000 0.204 325 Q C 2.379 178.367 176.000 -0.021 0.000 0.984 325 Q CA 2.003 57.795 55.803 -0.019 0.000 0.846 325 Q CB -0.449 28.281 28.738 -0.013 0.000 0.902 325 Q HN 0.673 nan 8.270 nan 0.000 0.421 326 A N 0.627 123.437 122.820 -0.016 0.000 2.015 326 A HA -0.035 4.288 4.320 0.005 0.000 0.219 326 A C 2.192 179.763 177.584 -0.023 0.000 1.163 326 A CA 1.340 53.367 52.037 -0.017 0.000 0.646 326 A CB -0.547 18.446 19.000 -0.013 0.000 0.806 326 A HN 0.400 nan 8.150 nan 0.000 0.448 327 A N -0.005 122.801 122.820 -0.023 0.000 1.898 327 A HA 0.227 4.550 4.320 0.005 0.000 0.216 327 A C 2.463 180.022 177.584 -0.042 0.000 1.181 327 A CA 1.739 53.759 52.037 -0.029 0.000 0.620 327 A CB -0.956 18.032 19.000 -0.020 0.000 0.819 327 A HN 1.013 nan 8.150 nan 0.000 0.442 328 A N -0.375 122.416 122.820 -0.049 0.000 2.019 328 A HA -0.139 4.184 4.320 0.005 0.000 0.219 328 A C 2.223 179.782 177.584 -0.042 0.000 1.164 328 A CA 1.410 53.411 52.037 -0.061 0.000 0.644 328 A CB -0.409 18.550 19.000 -0.068 0.000 0.805 328 A HN 0.537 nan 8.150 nan 0.000 0.449 329 R N -1.378 119.103 120.500 -0.032 0.000 2.119 329 R HA 0.014 4.357 4.340 0.005 0.000 0.222 329 R C 2.045 178.333 176.300 -0.019 0.000 1.088 329 R CA 1.079 57.166 56.100 -0.022 0.000 0.984 329 R CB -0.400 29.889 30.300 -0.020 0.000 0.884 329 R HN 0.509 nan 8.270 nan 0.000 0.447 330 L N 1.090 122.296 121.223 -0.029 0.000 2.056 330 L HA -0.091 4.252 4.340 0.005 0.000 0.207 330 L C 1.882 178.732 176.870 -0.033 0.000 1.078 330 L CA 1.616 56.431 54.840 -0.041 0.000 0.749 330 L CB -0.331 41.691 42.059 -0.061 0.000 0.901 330 L HN 0.081 nan 8.230 nan 0.000 0.433 331 L N -0.439 120.768 121.223 -0.027 0.000 2.056 331 L HA -0.127 4.216 4.340 0.005 0.000 0.207 331 L C 2.665 179.582 176.870 0.079 0.000 1.078 331 L CA 1.130 55.985 54.840 0.026 0.000 0.749 331 L CB -0.900 41.166 42.059 0.012 0.000 0.901 331 L HN 0.372 nan 8.230 nan 0.000 0.433 332 A N -0.103 122.729 122.820 0.020 0.000 2.019 332 A HA -0.097 4.226 4.320 0.005 0.000 0.219 332 A C 2.332 179.931 177.584 0.026 0.000 1.164 332 A CA 1.584 53.627 52.037 0.009 0.000 0.644 332 A CB -0.517 18.475 19.000 -0.014 0.000 0.805 332 A HN 0.403 nan 8.150 nan 0.000 0.449 333 A N -2.145 120.701 122.820 0.044 0.000 2.218 333 A HA 0.210 4.533 4.320 0.005 0.000 0.209 333 A C 0.610 178.256 177.584 0.104 0.000 1.168 333 A CA -0.136 51.929 52.037 0.045 0.000 0.804 333 A CB -0.363 18.652 19.000 0.025 0.000 0.834 333 A HN 0.657 nan 8.150 nan 0.000 0.482 334 W N 2.493 123.724 121.300 -0.114 0.000 2.238 334 W HA 0.366 5.028 4.660 0.005 0.000 0.321 334 W C 0.189 176.612 176.519 -0.160 0.000 1.293 334 W CA -0.683 56.575 57.345 -0.144 0.000 1.204 334 W CB 0.733 30.083 29.460 -0.182 0.000 1.167 334 W HN 0.377 nan 8.180 nan 0.000 0.553 335 D N 3.911 124.231 120.400 -0.133 0.000 2.363 335 D HA -0.114 4.529 4.640 0.005 0.000 0.226 335 D C 0.585 176.437 176.300 -0.747 0.000 1.020 335 D CA 0.215 54.021 54.000 -0.324 0.000 0.892 335 D CB -0.272 40.426 40.800 -0.170 0.000 0.900 335 D HN 0.661 nan 8.370 nan 0.000 0.531 336 R N -0.788 118.688 120.500 -1.707 0.000 3.651 336 R HA -0.121 4.222 4.340 0.005 0.000 0.292 336 R C -0.819 174.615 176.300 -1.443 0.000 1.161 336 R CA 0.780 55.511 56.100 -2.281 0.000 0.787 336 R CB -1.746 27.779 30.300 -1.291 0.000 1.249 336 R HN 0.284 nan 8.270 nan 0.000 0.476 337 E N 0.224 119.860 120.200 -0.941 0.000 2.187 337 E HA 0.195 4.548 4.350 0.005 0.000 0.268 337 E C -0.300 176.082 176.600 -0.362 0.000 0.896 337 E CA -0.763 55.382 56.400 -0.424 0.000 0.766 337 E CB 0.657 30.299 29.700 -0.095 0.000 1.142 337 E HN 0.078 nan 8.360 nan 0.000 0.408 338 F N 2.169 121.996 119.950 -0.205 0.000 2.678 338 F HA 0.022 4.552 4.527 0.005 0.000 0.358 338 F C 1.252 176.632 175.800 -0.700 0.000 1.256 338 F CA -0.200 57.489 58.000 -0.518 0.000 1.278 338 F CB -0.189 38.571 39.000 -0.401 0.000 1.681 338 F HN 0.103 nan 8.300 nan 0.000 0.661 339 T N -3.020 111.310 114.554 -0.373 0.000 2.934 339 T HA 0.200 4.553 4.350 0.005 0.000 0.283 339 T C 1.336 176.022 174.700 -0.023 0.000 1.005 339 T CA -0.824 61.128 62.100 -0.245 0.000 1.041 339 T CB 1.733 70.540 68.868 -0.103 0.000 1.042 339 T HN 0.256 nan 8.240 nan 0.000 0.505 340 S N 1.295 117.036 115.700 0.068 0.000 2.387 340 S HA -0.158 4.314 4.470 0.005 0.000 0.230 340 S C 1.772 176.425 174.600 0.089 0.000 1.035 340 S CA 1.589 59.865 58.200 0.127 0.000 1.014 340 S CB -0.509 62.726 63.200 0.058 0.000 0.836 340 S HN 0.981 nan 8.310 nan 0.000 0.466 341 D N 1.174 121.601 120.400 0.044 0.000 2.347 341 D HA 0.043 4.686 4.640 0.005 0.000 0.213 341 D C 0.710 177.017 176.300 0.012 0.000 0.985 341 D CA 0.170 54.183 54.000 0.022 0.000 0.879 341 D CB -0.569 40.240 40.800 0.016 0.000 0.919 341 D HN 0.224 nan 8.370 nan 0.000 0.526 342 S N 0.258 115.967 115.700 0.014 0.000 2.596 342 S HA -0.011 4.462 4.470 0.005 0.000 0.298 342 S C 0.941 175.469 174.600 -0.119 0.000 1.255 342 S CA -0.305 57.867 58.200 -0.047 0.000 1.083 342 S CB 0.263 63.432 63.200 -0.052 0.000 0.837 342 S HN 0.213 nan 8.310 nan 0.000 0.499 343 R N 3.449 123.847 120.500 -0.170 0.000 2.334 343 R HA 0.202 4.545 4.340 0.005 0.000 0.216 343 R C 1.724 177.859 176.300 -0.275 0.000 0.905 343 R CA 0.674 56.672 56.100 -0.169 0.000 1.064 343 R CB 0.072 30.307 30.300 -0.109 0.000 1.046 343 R HN 0.679 nan 8.270 nan 0.000 0.508 344 A N 0.491 122.993 122.820 -0.529 0.000 2.085 344 A HA 0.282 4.605 4.320 0.005 0.000 0.208 344 A C 2.125 179.193 177.584 -0.859 0.000 1.191 344 A CA 0.610 52.235 52.037 -0.686 0.000 0.799 344 A CB 0.054 18.556 19.000 -0.830 0.000 0.877 344 A HN 0.236 nan 8.150 nan 0.000 0.473 345 A N 0.710 122.914 122.820 -1.025 0.000 1.873 345 A HA -0.157 4.166 4.320 0.005 0.000 0.218 345 A C 2.108 179.719 177.584 0.044 0.000 1.193 345 A CA 1.744 53.448 52.037 -0.554 0.000 0.629 345 A CB -0.768 18.106 19.000 -0.211 0.000 0.826 345 A HN 0.469 nan 8.150 nan 0.000 0.447 346 L N -0.844 120.406 121.223 0.045 0.000 1.989 346 L HA -0.193 4.150 4.340 0.005 0.000 0.211 346 L C 2.641 179.551 176.870 0.067 0.000 1.071 346 L CA 1.453 56.297 54.840 0.007 0.000 0.749 346 L CB -0.627 41.215 42.059 -0.361 0.000 0.890 346 L HN 0.488 nan 8.230 nan 0.000 0.431 347 L N -0.709 120.513 121.223 -0.002 0.000 2.051 347 L HA -0.311 4.032 4.340 0.005 0.000 0.214 347 L C 2.606 179.575 176.870 0.165 0.000 1.076 347 L CA 1.959 56.837 54.840 0.063 0.000 0.758 347 L CB -0.320 41.735 42.059 -0.007 0.000 0.890 347 L HN 0.232 nan 8.230 nan 0.000 0.433 348 F N 1.026 120.973 119.950 -0.004 0.000 2.146 348 F HA -0.194 4.336 4.527 0.005 0.000 0.298 348 F C 2.358 178.341 175.800 0.305 0.000 1.096 348 F CA 1.665 59.764 58.000 0.166 0.000 1.275 348 F CB -0.182 38.884 39.000 0.109 0.000 1.008 348 F HN 0.125 nan 8.300 nan 0.000 0.480 349 E N -0.087 120.296 120.200 0.305 0.000 2.070 349 E HA -0.303 4.050 4.350 0.005 0.000 0.197 349 E C 2.037 178.744 176.600 0.179 0.000 1.004 349 E CA 1.732 58.252 56.400 0.200 0.000 0.805 349 E CB -0.284 29.637 29.700 0.368 0.000 0.744 349 E HN 0.351 nan 8.360 nan 0.000 0.451 350 E N -0.040 120.279 120.200 0.199 0.000 2.153 350 E HA -0.183 4.170 4.350 0.005 0.000 0.194 350 E C 1.373 178.040 176.600 0.111 0.000 0.988 350 E CA 0.938 57.440 56.400 0.169 0.000 0.811 350 E CB -0.234 29.579 29.700 0.189 0.000 0.746 350 E HN 0.382 nan 8.360 nan 0.000 0.466 351 W N 0.578 121.837 121.300 -0.068 0.000 2.407 351 W HA -0.015 4.647 4.660 0.005 0.000 0.305 351 W C 2.139 178.595 176.519 -0.105 0.000 1.196 351 W CA 2.004 59.286 57.345 -0.106 0.000 1.311 351 W CB -0.651 28.704 29.460 -0.175 0.000 1.135 351 W HN 0.055 nan 8.180 nan 0.000 0.514 352 A N 0.885 123.460 122.820 -0.409 0.000 1.978 352 A HA -0.205 4.118 4.320 0.005 0.000 0.220 352 A C 2.011 179.610 177.584 0.024 0.000 1.170 352 A CA 1.764 53.567 52.037 -0.389 0.000 0.636 352 A CB -0.743 17.999 19.000 -0.431 0.000 0.810 352 A HN 0.423 nan 8.150 nan 0.000 0.448 353 R N -0.710 119.888 120.500 0.164 0.000 2.105 353 R HA -0.074 4.269 4.340 0.005 0.000 0.239 353 R C 1.894 178.101 176.300 -0.155 0.000 1.135 353 R CA 1.545 57.638 56.100 -0.012 0.000 0.967 353 R CB -0.390 29.874 30.300 -0.060 0.000 0.861 353 R HN 0.548 nan 8.270 nan 0.000 0.442 354 L N -1.246 119.849 121.223 -0.213 0.000 2.127 354 L HA -0.042 4.301 4.340 0.005 0.000 0.203 354 L C 2.222 178.913 176.870 -0.299 0.000 1.080 354 L CA 0.652 55.353 54.840 -0.231 0.000 0.768 354 L CB -0.397 41.538 42.059 -0.206 0.000 0.924 354 L HN 0.100 nan 8.230 nan 0.000 0.444 355 F N 1.231 120.748 119.950 -0.721 0.000 2.186 355 F HA -0.012 4.518 4.527 0.005 0.000 0.299 355 F C 1.723 177.249 175.800 -0.457 0.000 1.090 355 F CA 1.107 58.656 58.000 -0.752 0.000 1.307 355 F CB 0.102 38.186 39.000 -1.527 0.000 1.019 355 F HN -0.053 nan 8.300 nan 0.000 0.489 356 A N 0.233 122.876 122.820 -0.295 0.000 2.676 356 A HA 0.592 4.915 4.320 0.005 0.000 0.297 356 A C 0.672 178.196 177.584 -0.099 0.000 1.132 356 A CA 0.188 52.108 52.037 -0.196 0.000 0.972 356 A CB -0.984 18.076 19.000 0.099 0.000 1.197 356 A HN 0.905 nan 8.150 nan 0.000 0.524 357 G N -0.540 108.157 108.800 -0.173 0.000 2.755 357 G HA2 -0.160 3.803 3.960 0.005 0.000 0.686 357 G HA3 -0.160 3.803 3.960 0.005 0.000 0.686 357 G C 0.270 174.991 174.900 -0.297 0.000 1.427 357 G CA 0.067 45.056 45.100 -0.186 0.000 0.873 357 G HN 0.340 nan 8.290 nan 0.000 0.580 358 Q N 0.530 120.145 119.800 -0.308 0.000 2.368 358 Q HA -0.079 4.264 4.340 0.005 0.000 0.210 358 Q C 2.214 177.838 176.000 -0.627 0.000 0.982 358 Q CA 2.395 57.946 55.803 -0.420 0.000 0.884 358 Q CB -0.095 28.486 28.738 -0.262 0.000 0.933 358 Q HN 0.813 nan 8.270 nan 0.000 0.460 359 N N -1.719 116.687 118.700 -0.490 0.000 2.187 359 N HA -0.016 4.727 4.740 0.005 0.000 0.212 359 N C -0.159 175.198 175.510 -0.255 0.000 1.152 359 N CA -0.014 52.787 53.050 -0.414 0.000 0.872 359 N CB -0.372 38.008 38.487 -0.179 0.000 1.025 359 N HN 0.260 nan 8.380 nan 0.000 0.514 360 F N -1.331 118.577 119.950 -0.069 0.000 2.890 360 F HA -0.348 4.182 4.527 0.005 0.000 0.346 360 F C 0.999 176.833 175.800 0.057 0.000 0.660 360 F CA 0.325 58.322 58.000 -0.006 0.000 1.091 360 F CB -1.748 37.271 39.000 0.031 0.000 1.535 360 F HN 0.300 nan 8.300 nan 0.000 0.314 361 A N 0.605 123.520 122.820 0.159 0.000 2.250 361 A HA 0.727 5.050 4.320 0.005 0.000 0.283 361 A C 0.977 178.622 177.584 0.103 0.000 1.206 361 A CA 0.304 52.418 52.037 0.128 0.000 0.840 361 A CB 0.290 19.326 19.000 0.061 0.000 1.220 361 A HN 1.647 nan 8.150 nan 0.000 0.505 362 G N -1.109 107.746 108.800 0.092 0.000 3.373 362 G HA2 0.087 4.050 3.960 0.005 0.000 0.685 362 G HA3 0.087 4.050 3.960 0.005 0.000 0.685 362 G C -0.267 174.712 174.900 0.131 0.000 1.166 362 G CA -0.002 45.126 45.100 0.046 0.000 1.063 362 G HN 0.628 nan 8.290 nan 0.000 0.481 363 Q N 0.176 120.067 119.800 0.151 0.000 2.378 363 Q HA 0.374 4.717 4.340 0.005 0.000 0.216 363 Q C 1.665 177.791 176.000 0.210 0.000 0.892 363 Q CA 0.784 56.788 55.803 0.335 0.000 0.931 363 Q CB 0.698 29.583 28.738 0.245 0.000 1.086 363 Q HN 1.427 nan 8.270 nan 0.000 0.528 364 A N 0.326 123.148 122.820 0.003 0.000 2.466 364 A HA 0.453 4.776 4.320 0.005 0.000 0.238 364 A C 1.238 178.642 177.584 -0.300 0.000 1.074 364 A CA 1.072 53.067 52.037 -0.069 0.000 0.774 364 A CB -0.061 18.884 19.000 -0.091 0.000 1.015 364 A HN 0.455 nan 8.150 nan 0.000 0.498 365 G N 0.315 108.959 108.800 -0.260 0.000 2.493 365 G HA2 -0.186 3.777 3.960 0.005 0.000 0.206 365 G HA3 -0.186 3.777 3.960 0.005 0.000 0.206 365 G C 0.206 175.010 174.900 -0.160 0.000 1.109 365 G CA 0.030 44.822 45.100 -0.514 0.000 0.689 365 G HN 0.729 nan 8.290 nan 0.000 0.516 366 F N 1.786 121.796 119.950 0.100 0.000 2.496 366 F HA 0.524 5.054 4.527 0.004 0.000 0.344 366 F C 1.786 177.684 175.800 0.164 0.000 1.155 366 F CA 0.440 58.576 58.000 0.228 0.000 1.302 366 F CB 1.142 40.264 39.000 0.202 0.000 1.159 366 F HN 0.306 nan 8.300 nan 0.000 0.595 367 A N 1.034 124.061 122.820 0.344 0.000 1.903 367 A HA 0.020 4.343 4.320 0.005 0.000 0.213 367 A C 1.056 178.785 177.584 0.242 0.000 1.185 367 A CA 1.311 53.492 52.037 0.240 0.000 0.628 367 A CB -0.431 18.689 19.000 0.201 0.000 0.830 367 A HN 0.636 nan 8.150 nan 0.000 0.446 368 T N 0.290 115.019 114.554 0.291 0.000 2.786 368 T HA 0.591 4.944 4.350 0.005 0.000 0.283 368 T C -3.095 171.744 174.700 0.232 0.000 0.992 368 T CA -2.430 59.809 62.100 0.233 0.000 0.954 368 T CB 1.559 70.564 68.868 0.228 0.000 0.934 368 T HN -0.004 nan 8.240 nan 0.000 0.440 369 P HA 0.193 nan 4.420 nan 0.000 0.273 369 P C -0.746 176.654 177.300 0.167 0.000 1.250 369 P CA -0.613 62.602 63.100 0.191 0.000 0.793 369 P CB 0.413 32.216 31.700 0.171 0.000 1.011 370 W N 1.079 122.383 121.300 0.007 0.000 2.150 370 W HA 0.404 5.067 4.660 0.005 0.000 0.341 370 W C -0.061 176.462 176.519 0.007 0.000 1.276 370 W CA 1.047 58.382 57.345 -0.017 0.000 1.238 370 W CB 0.528 29.975 29.460 -0.022 0.000 1.128 370 W HN 0.280 nan 8.180 nan 0.000 0.581 371 S N 5.318 120.440 115.700 -0.964 0.000 2.543 371 S HA 0.222 4.695 4.470 0.005 0.000 0.271 371 S C 0.047 173.766 174.600 -1.470 0.000 1.148 371 S CA -0.828 56.848 58.200 -0.874 0.000 0.914 371 S CB 1.094 64.058 63.200 -0.394 0.000 1.096 371 S HN 0.699 nan 8.310 nan 0.000 0.471 372 L N 2.478 123.097 121.223 -1.007 0.000 2.362 372 L HA -0.009 4.334 4.340 0.005 0.000 0.219 372 L C 1.000 177.691 176.870 -0.299 0.000 1.134 372 L CA 1.165 55.648 54.840 -0.596 0.000 0.807 372 L CB -0.153 41.839 42.059 -0.113 0.000 0.927 372 L HN 0.717 nan 8.230 nan 0.000 0.447 373 D N 0.199 120.434 120.400 -0.275 0.000 2.269 373 D HA -0.067 4.576 4.640 0.005 0.000 0.208 373 D C 0.647 176.888 176.300 -0.099 0.000 0.963 373 D CA 1.114 55.039 54.000 -0.124 0.000 0.864 373 D CB 0.198 40.933 40.800 -0.108 0.000 0.936 373 D HN 0.252 nan 8.370 nan 0.000 0.505 374 K N 0.522 120.773 120.400 -0.248 0.000 3.146 374 K HA 0.138 4.461 4.320 0.005 0.000 0.168 374 K C -2.098 174.275 176.600 -0.377 0.000 1.075 374 K CA -0.926 55.237 56.287 -0.208 0.000 0.843 374 K CB 2.327 34.717 32.500 -0.183 0.000 1.002 374 K HN -0.075 nan 8.250 nan 0.000 0.597 375 P HA -0.146 nan 4.420 nan 0.000 0.221 375 P C 0.750 178.012 177.300 -0.064 0.000 1.145 375 P CA 1.017 63.919 63.100 -0.329 0.000 0.795 375 P CB 0.424 32.028 31.700 -0.159 0.000 0.775 376 V N -0.149 119.664 119.914 -0.167 0.000 3.085 376 V HA 0.157 4.280 4.120 0.005 0.000 0.345 376 V C 1.180 177.246 176.094 -0.046 0.000 1.397 376 V CA 0.965 63.209 62.300 -0.094 0.000 1.165 376 V CB -0.063 31.596 31.823 -0.274 0.000 1.153 376 V HN 0.315 nan 8.190 nan 0.000 0.495 377 S N -2.927 112.750 115.700 -0.040 0.000 2.752 377 S HA -0.038 4.435 4.470 0.005 0.000 0.242 377 S C 1.187 175.791 174.600 0.008 0.000 0.914 377 S CA 0.411 58.604 58.200 -0.012 0.000 1.427 377 S CB 0.169 63.333 63.200 -0.061 0.000 1.244 377 S HN 0.452 nan 8.310 nan 0.000 0.655 378 T N -0.658 113.881 114.554 -0.025 0.000 3.039 378 T HA 0.323 4.676 4.350 0.005 0.000 0.250 378 T C -2.451 172.295 174.700 0.077 0.000 1.052 378 T CA 0.064 62.152 62.100 -0.020 0.000 1.125 378 T CB -1.577 67.154 68.868 -0.228 0.000 0.908 378 T HN 0.312 nan 8.240 nan 0.000 0.473 379 P HA 0.337 nan 4.420 nan 0.000 0.271 379 P C -1.247 175.961 177.300 -0.153 0.000 1.233 379 P CA 0.006 62.952 63.100 -0.257 0.000 0.764 379 P CB -0.142 31.142 31.700 -0.693 0.000 0.825 380 Y N 3.037 123.356 120.300 0.032 0.000 2.544 380 Y HA 0.539 5.092 4.550 0.005 0.000 0.342 380 Y C 0.238 176.392 175.900 0.424 0.000 1.062 380 Y CA 0.255 58.511 58.100 0.261 0.000 1.023 380 Y CB 1.778 40.320 38.460 0.136 0.000 1.308 380 Y HN 0.854 nan 8.280 nan 0.000 0.457 381 G N 1.422 109.592 108.800 -1.049 0.000 2.829 381 G HA2 -0.043 3.920 3.960 0.005 0.000 0.628 381 G HA3 -0.043 3.920 3.960 0.005 0.000 0.628 381 G C -2.031 172.863 174.900 -0.009 0.000 1.412 381 G CA -0.547 44.193 45.100 -0.600 0.000 0.864 381 G HN 1.090 nan 8.290 nan 0.000 0.544 382 V N 1.818 121.738 119.914 0.010 0.000 2.384 382 V HA 0.445 4.568 4.120 0.005 0.000 0.287 382 V C 1.656 177.838 176.094 0.147 0.000 1.020 382 V CA 0.028 62.403 62.300 0.124 0.000 0.850 382 V CB 1.343 33.196 31.823 0.050 0.000 0.987 382 V HN 0.934 nan 8.190 nan 0.000 0.436 383 R N 2.171 122.779 120.500 0.179 0.000 2.082 383 R HA -0.082 4.261 4.340 0.005 0.000 0.228 383 R C 0.603 176.971 176.300 0.114 0.000 1.140 383 R CA 1.655 57.837 56.100 0.136 0.000 0.920 383 R CB 0.127 30.496 30.300 0.115 0.000 0.828 383 R HN 0.798 nan 8.270 nan 0.000 0.430 384 D N -0.331 120.141 120.400 0.120 0.000 2.485 384 D HA 0.159 4.802 4.640 0.005 0.000 0.229 384 D C -2.054 174.316 176.300 0.115 0.000 1.101 384 D CA -2.422 51.638 54.000 0.100 0.000 0.906 384 D CB 1.493 42.343 40.800 0.084 0.000 1.019 384 D HN -0.070 nan 8.370 nan 0.000 0.516 385 P HA -0.157 nan 4.420 nan 0.000 0.216 385 P C 1.013 178.360 177.300 0.077 0.000 1.150 385 P CA 1.282 64.429 63.100 0.079 0.000 0.837 385 P CB 0.288 32.014 31.700 0.042 0.000 0.786 386 K N -0.289 120.150 120.400 0.066 0.000 2.063 386 K HA -0.102 4.221 4.320 0.005 0.000 0.208 386 K C 2.186 178.835 176.600 0.081 0.000 1.048 386 K CA 1.615 57.938 56.287 0.059 0.000 0.928 386 K CB -0.873 31.655 32.500 0.048 0.000 0.713 386 K HN 0.065 nan 8.250 nan 0.000 0.442 387 A N 2.039 124.915 122.820 0.094 0.000 1.858 387 A HA -0.136 4.187 4.320 0.005 0.000 0.216 387 A C 2.520 180.205 177.584 0.168 0.000 1.190 387 A CA 1.981 54.083 52.037 0.107 0.000 0.617 387 A CB -0.925 18.133 19.000 0.096 0.000 0.827 387 A HN 0.339 nan 8.150 nan 0.000 0.443 388 A N -0.706 122.252 122.820 0.231 0.000 1.948 388 A HA -0.071 4.252 4.320 0.005 0.000 0.220 388 A C 2.221 180.023 177.584 0.364 0.000 1.177 388 A CA 2.038 54.315 52.037 0.401 0.000 0.636 388 A CB -0.934 18.309 19.000 0.404 0.000 0.815 388 A HN 0.452 nan 8.150 nan 0.000 0.449 389 V N 0.108 120.121 119.914 0.166 0.000 2.453 389 V HA -0.183 3.940 4.120 0.005 0.000 0.247 389 V C 2.120 178.284 176.094 0.117 0.000 1.048 389 V CA 2.099 64.452 62.300 0.088 0.000 1.049 389 V CB -0.685 31.157 31.823 0.032 0.000 0.672 389 V HN 0.468 nan 8.190 nan 0.000 0.457 390 D N -0.326 120.144 120.400 0.118 0.000 2.178 390 D HA -0.154 4.489 4.640 0.005 0.000 0.202 390 D C 2.356 178.734 176.300 0.131 0.000 0.974 390 D CA 1.068 55.126 54.000 0.097 0.000 0.841 390 D CB -0.073 40.770 40.800 0.072 0.000 0.953 390 D HN 0.517 nan 8.370 nan 0.000 0.478 391 Q N 0.020 119.939 119.800 0.198 0.000 2.050 391 Q HA -0.072 4.271 4.340 0.005 0.000 0.202 391 Q C 2.370 178.573 176.000 0.338 0.000 0.980 391 Q CA 0.481 56.418 55.803 0.223 0.000 0.840 391 Q CB -0.053 28.820 28.738 0.226 0.000 0.898 391 Q HN 0.284 nan 8.270 nan 0.000 0.424 392 L N 0.815 122.299 121.223 0.436 0.000 2.079 392 L HA -0.241 4.102 4.340 0.005 0.000 0.210 392 L C 2.625 179.594 176.870 0.165 0.000 1.081 392 L CA 1.341 56.366 54.840 0.309 0.000 0.752 392 L CB -0.275 41.786 42.059 0.004 0.000 0.896 392 L HN 0.267 nan 8.230 nan 0.000 0.433 393 R N -0.793 119.779 120.500 0.120 0.000 2.070 393 R HA -0.181 4.162 4.340 0.005 0.000 0.232 393 R C 2.111 178.458 176.300 0.078 0.000 1.138 393 R CA 2.301 58.447 56.100 0.077 0.000 0.936 393 R CB -0.386 29.951 30.300 0.061 0.000 0.839 393 R HN 0.278 nan 8.270 nan 0.000 0.429 394 T N 0.804 115.408 114.554 0.083 0.000 2.684 394 T HA -0.176 4.177 4.350 0.005 0.000 0.267 394 T C 1.788 176.532 174.700 0.073 0.000 1.036 394 T CA 1.568 63.706 62.100 0.063 0.000 1.148 394 T CB -0.385 68.514 68.868 0.052 0.000 0.863 394 T HN 0.498 nan 8.240 nan 0.000 0.436 395 A N 0.597 123.485 122.820 0.113 0.000 2.024 395 A HA -0.031 4.292 4.320 0.005 0.000 0.220 395 A C 2.223 179.874 177.584 0.113 0.000 1.164 395 A CA 1.169 53.283 52.037 0.129 0.000 0.643 395 A CB -0.750 18.382 19.000 0.221 0.000 0.806 395 A HN 0.565 nan 8.150 nan 0.000 0.451 396 I N -0.761 119.866 120.570 0.094 0.000 2.353 396 I HA -0.180 3.993 4.170 0.005 0.000 0.248 396 I C 2.886 179.039 176.117 0.060 0.000 1.119 396 I CA 0.802 62.145 61.300 0.072 0.000 1.417 396 I CB -0.202 37.829 38.000 0.052 0.000 1.078 396 I HN 0.342 nan 8.210 nan 0.000 0.421 397 A N 1.047 123.897 122.820 0.050 0.000 1.858 397 A HA -0.209 4.114 4.320 0.005 0.000 0.216 397 A C 2.086 179.691 177.584 0.035 0.000 1.190 397 A CA 1.850 53.908 52.037 0.035 0.000 0.617 397 A CB -0.692 18.323 19.000 0.026 0.000 0.827 397 A HN 0.366 nan 8.150 nan 0.000 0.443 398 N N 0.056 118.781 118.700 0.042 0.000 2.018 398 N HA -0.138 4.605 4.740 0.005 0.000 0.196 398 N C 1.802 177.346 175.510 0.056 0.000 1.043 398 N CA 2.206 55.278 53.050 0.035 0.000 0.856 398 N CB -1.142 37.373 38.487 0.046 0.000 1.042 398 N HN 0.519 nan 8.380 nan 0.000 0.423 399 T N 1.116 115.741 114.554 0.118 0.000 2.699 399 T HA -0.139 4.214 4.350 0.005 0.000 0.268 399 T C 1.974 176.779 174.700 0.174 0.000 1.036 399 T CA 1.404 63.633 62.100 0.215 0.000 1.147 399 T CB -0.126 68.853 68.868 0.186 0.000 0.862 399 T HN 0.251 nan 8.240 nan 0.000 0.446 400 K N 0.583 121.038 120.400 0.092 0.000 2.026 400 K HA 0.002 4.325 4.320 0.005 0.000 0.208 400 K C 2.552 179.166 176.600 0.024 0.000 1.048 400 K CA 0.994 57.317 56.287 0.060 0.000 0.929 400 K CB -0.078 32.445 32.500 0.037 0.000 0.713 400 K HN 0.141 nan 8.250 nan 0.000 0.439 401 R N 0.961 121.460 120.500 -0.003 0.000 2.075 401 R HA -0.150 4.193 4.340 0.005 0.000 0.230 401 R C 1.947 178.183 176.300 -0.107 0.000 1.140 401 R CA 2.025 58.099 56.100 -0.042 0.000 0.928 401 R CB -0.075 30.199 30.300 -0.043 0.000 0.834 401 R HN 0.019 nan 8.270 nan 0.000 0.429 402 K N -1.096 119.192 120.400 -0.187 0.000 2.103 402 K HA -0.180 4.143 4.320 0.005 0.000 0.207 402 K C 1.297 177.500 176.600 -0.662 0.000 1.048 402 K CA 1.779 57.784 56.287 -0.471 0.000 0.930 402 K CB 0.026 32.115 32.500 -0.684 0.000 0.716 402 K HN 0.375 nan 8.250 nan 0.000 0.444 403 Y N -2.025 118.266 120.300 -0.016 0.000 2.527 403 Y HA 0.243 4.796 4.550 0.005 0.000 0.247 403 Y C 1.236 177.120 175.900 -0.027 0.000 1.138 403 Y CA -0.038 58.044 58.100 -0.029 0.000 1.228 403 Y CB 1.598 40.036 38.460 -0.038 0.000 1.252 403 Y HN 0.147 nan 8.280 nan 0.000 0.531 404 G N 0.612 109.461 108.800 0.081 0.000 2.176 404 G HA2 -0.014 3.949 3.960 0.005 0.000 0.253 404 G HA3 -0.014 3.949 3.960 0.005 0.000 0.253 404 G C 0.120 175.049 174.900 0.048 0.000 0.979 404 G CA 0.086 45.215 45.100 0.047 0.000 0.641 404 G HN 0.915 nan 8.290 nan 0.000 0.530 405 A N -1.283 121.580 122.820 0.072 0.000 2.569 405 A HA 0.675 4.998 4.320 0.005 0.000 0.292 405 A C 0.616 178.232 177.584 0.054 0.000 1.032 405 A CA 0.044 52.107 52.037 0.044 0.000 0.669 405 A CB -0.230 18.783 19.000 0.022 0.000 1.290 405 A HN 1.483 nan 8.150 nan 0.000 0.422 406 I N -1.891 118.695 120.570 0.027 0.000 3.578 406 I HA 0.228 4.401 4.170 0.005 0.000 0.295 406 I C 0.457 176.558 176.117 -0.026 0.000 1.280 406 I CA 1.142 62.453 61.300 0.017 0.000 1.347 406 I CB 0.045 38.052 38.000 0.011 0.000 1.051 406 I HN 0.470 nan 8.210 nan 0.000 0.460 407 D N 1.381 121.761 120.400 -0.033 0.000 2.696 407 D HA 0.107 4.750 4.640 0.005 0.000 0.269 407 D C 0.372 176.633 176.300 -0.065 0.000 1.319 407 D CA -0.418 53.545 54.000 -0.062 0.000 0.826 407 D CB -0.161 40.607 40.800 -0.052 0.000 1.086 407 D HN 0.296 nan 8.370 nan 0.000 0.481 408 R N 1.240 121.699 120.500 -0.069 0.000 2.491 408 R HA 0.279 4.622 4.340 0.005 0.000 0.283 408 R C -2.370 173.867 176.300 -0.105 0.000 1.072 408 R CA -1.229 54.826 56.100 -0.075 0.000 1.048 408 R CB 0.409 30.670 30.300 -0.066 0.000 0.983 408 R HN -0.113 nan 8.270 nan 0.000 0.450 409 P HA -0.083 nan 4.420 nan 0.000 0.263 409 P C -0.098 177.155 177.300 -0.078 0.000 1.195 409 P CA 0.195 63.260 63.100 -0.057 0.000 0.762 409 P CB 0.227 31.901 31.700 -0.044 0.000 0.799 410 F N 4.480 124.298 119.950 -0.219 0.000 2.063 410 F HA -0.236 4.294 4.527 0.005 0.000 0.298 410 F C 2.118 177.722 175.800 -0.327 0.000 1.105 410 F CA 2.654 60.484 58.000 -0.284 0.000 1.215 410 F CB -0.885 38.002 39.000 -0.187 0.000 0.972 410 F HN 0.396 nan 8.300 nan 0.000 0.483 411 G N -1.013 107.735 108.800 -0.088 0.000 2.776 411 G HA2 -0.193 3.770 3.960 0.005 0.000 0.209 411 G HA3 -0.193 3.770 3.960 0.005 0.000 0.209 411 G C 1.267 176.039 174.900 -0.213 0.000 1.145 411 G CA 0.764 45.745 45.100 -0.198 0.000 0.791 411 G HN 0.539 nan 8.290 nan 0.000 0.530 412 D N -0.016 120.262 120.400 -0.202 0.000 2.388 412 D HA 0.184 4.827 4.640 0.005 0.000 0.208 412 D C 2.214 178.409 176.300 -0.176 0.000 1.035 412 D CA 0.656 54.569 54.000 -0.146 0.000 0.875 412 D CB 0.329 41.074 40.800 -0.092 0.000 0.984 412 D HN 0.209 nan 8.370 nan 0.000 0.508 413 A N 0.131 122.782 122.820 -0.282 0.000 1.973 413 A HA 0.206 4.529 4.320 0.005 0.000 0.210 413 A C 1.153 178.506 177.584 -0.385 0.000 1.200 413 A CA 0.104 51.994 52.037 -0.244 0.000 0.707 413 A CB 0.197 19.017 19.000 -0.301 0.000 0.862 413 A HN 0.113 nan 8.150 nan 0.000 0.461 414 S N 1.730 116.982 115.700 -0.746 0.000 2.399 414 S HA 0.532 5.005 4.470 0.005 0.000 0.301 414 S C 0.055 174.256 174.600 -0.666 0.000 1.093 414 S CA -0.536 56.975 58.200 -1.148 0.000 1.077 414 S CB 0.406 62.156 63.200 -2.416 0.000 0.980 414 S HN 0.400 nan 8.310 nan 0.000 0.494 418 L N 6.293 127.544 121.223 0.046 0.000 2.356 418 L HA 0.609 4.952 4.340 0.005 0.000 0.277 418 L C 0.462 177.368 176.870 0.060 0.000 0.996 418 L CA -0.517 54.320 54.840 -0.004 0.000 0.822 418 L CB 1.636 43.526 42.059 -0.281 0.000 1.256 418 L HN 0.704 nan 8.230 nan 0.000 0.413 419 N N 2.224 121.026 118.700 0.172 0.000 1.241 419 N HA -0.279 4.464 4.740 0.005 0.000 0.135 419 N C 0.399 175.960 175.510 0.086 0.000 0.723 419 N CA 2.076 55.216 53.050 0.150 0.000 0.950 419 N CB -0.572 38.007 38.487 0.153 0.000 1.215 419 N HN 0.969 nan 8.380 nan 0.000 0.520 420 D N 1.166 121.603 120.400 0.063 0.000 2.463 420 D HA 0.224 4.867 4.640 0.005 0.000 0.224 420 D C -0.188 176.130 176.300 0.031 0.000 1.174 420 D CA 0.059 54.085 54.000 0.042 0.000 0.829 420 D CB -0.276 40.545 40.800 0.034 0.000 0.993 420 D HN 0.202 nan 8.370 nan 0.000 0.497 421 V N 1.493 121.425 119.914 0.029 0.000 2.394 421 V HA 0.354 4.477 4.120 0.005 0.000 0.282 421 V C -0.115 175.992 176.094 0.022 0.000 1.031 421 V CA -0.828 61.482 62.300 0.016 0.000 0.881 421 V CB 1.397 33.221 31.823 0.003 0.000 0.982 421 V HN 0.194 nan 8.190 nan 0.000 0.451 422 N N 4.336 123.046 118.700 0.017 0.000 2.577 422 N HA 0.429 5.172 4.740 0.005 0.000 0.275 422 N C -1.110 174.404 175.510 0.006 0.000 1.091 422 N CA -0.175 52.885 53.050 0.018 0.000 0.843 422 N CB 1.962 40.458 38.487 0.016 0.000 1.295 422 N HN 0.543 nan 8.380 nan 0.000 0.530 423 V N 1.453 121.370 119.914 0.006 0.000 2.919 423 V HA 0.804 4.927 4.120 0.005 0.000 0.316 423 V C -2.354 173.730 176.094 -0.016 0.000 1.077 423 V CA -2.070 60.227 62.300 -0.005 0.000 0.977 423 V CB 1.669 33.489 31.823 -0.005 0.000 1.039 423 V HN 0.389 nan 8.190 nan 0.000 0.441 424 P HA 0.310 nan 4.420 nan 0.000 0.271 424 P C 0.056 177.330 177.300 -0.042 0.000 1.218 424 P CA 0.508 63.579 63.100 -0.048 0.000 0.780 424 P CB 1.059 32.739 31.700 -0.034 0.000 0.901 425 G N 0.525 109.269 108.800 -0.093 0.000 2.461 425 G HA2 0.665 4.628 3.960 0.005 0.000 0.329 425 G HA3 0.665 4.628 3.960 0.005 0.000 0.329 425 G C -1.215 173.730 174.900 0.074 0.000 1.170 425 G CA -0.493 44.598 45.100 -0.015 0.000 0.935 425 G HN 0.728 nan 8.290 nan 0.000 0.492 426 A N -0.865 122.097 122.820 0.238 0.000 2.583 426 A HA 1.048 5.370 4.320 0.005 0.000 0.289 426 A C 0.263 178.177 177.584 0.551 0.000 1.151 426 A CA 0.363 52.608 52.037 0.348 0.000 0.695 426 A CB 0.852 19.970 19.000 0.198 0.000 1.290 426 A HN 2.827 nan 8.150 nan 0.000 0.419 427 A N -1.905 121.203 122.820 0.480 0.000 5.100 427 A HA 0.447 4.770 4.320 0.005 0.000 0.533 427 A C 1.043 179.038 177.584 0.686 0.000 1.142 427 A CA 1.289 53.688 52.037 0.605 0.000 0.463 427 A CB -1.768 17.644 19.000 0.686 0.000 3.021 427 A HN 3.097 nan 8.150 nan 0.000 0.487 428 G N -1.561 107.464 108.800 0.375 0.000 2.635 428 G HA2 0.603 4.566 3.960 0.005 0.000 0.194 428 G HA3 0.603 4.566 3.960 0.005 0.000 0.194 428 G C -0.586 174.244 174.900 -0.117 0.000 1.198 428 G CA -0.038 45.159 45.100 0.161 0.000 0.972 428 G HN 1.479 nan 8.290 nan 0.000 0.520 429 Y N 1.777 122.080 120.300 0.006 0.000 2.717 429 Y HA 0.269 4.822 4.550 0.005 0.000 0.330 429 Y C 1.885 177.833 175.900 0.081 0.000 1.217 429 Y CA 0.829 58.971 58.100 0.071 0.000 1.506 429 Y CB 1.104 39.688 38.460 0.207 0.000 1.268 429 Y HN 0.557 nan 8.280 nan 0.000 0.561 430 G N 2.376 111.312 108.800 0.226 0.000 2.402 430 G HA2 -0.278 3.685 3.960 0.005 0.000 0.216 430 G HA3 -0.278 3.685 3.960 0.005 0.000 0.216 430 G C 1.371 176.413 174.900 0.237 0.000 1.162 430 G CA 0.647 45.855 45.100 0.180 0.000 0.777 430 G HN 0.569 nan 8.290 nan 0.000 0.539 431 N N 0.168 119.038 118.700 0.284 0.000 2.520 431 N HA 0.047 4.790 4.740 0.005 0.000 0.185 431 N C 1.892 177.567 175.510 0.276 0.000 1.068 431 N CA 0.307 53.528 53.050 0.284 0.000 0.911 431 N CB -0.037 38.648 38.487 0.329 0.000 0.961 431 N HN 0.311 nan 8.380 nan 0.000 0.446 432 L N -1.761 119.611 121.223 0.248 0.000 2.529 432 L HA 0.216 4.559 4.340 0.005 0.000 0.223 432 L C 1.351 178.447 176.870 0.376 0.000 1.113 432 L CA 0.475 55.475 54.840 0.267 0.000 0.861 432 L CB 0.157 42.389 42.059 0.289 0.000 1.012 432 L HN 0.263 nan 8.230 nan 0.000 0.461 433 G N -1.085 107.919 108.800 0.339 0.000 2.296 433 G HA2 -0.227 3.736 3.960 0.005 0.000 0.188 433 G HA3 -0.227 3.736 3.960 0.005 0.000 0.188 433 G C 0.387 175.488 174.900 0.335 0.000 1.000 433 G CA 0.060 45.346 45.100 0.308 0.000 0.672 433 G HN 0.148 nan 8.290 nan 0.000 0.483 434 S N 0.204 116.145 115.700 0.401 0.000 2.525 434 S HA 0.428 4.901 4.470 0.005 0.000 0.285 434 S C 1.116 175.886 174.600 0.282 0.000 1.283 434 S CA 0.209 58.644 58.200 0.392 0.000 1.072 434 S CB 0.209 63.642 63.200 0.388 0.000 0.867 434 S HN 0.602 nan 8.310 nan 0.000 0.492 435 F N 5.338 125.371 119.950 0.138 0.000 2.187 435 F HA 0.206 4.736 4.527 0.005 0.000 0.295 435 F C 1.473 177.278 175.800 0.008 0.000 1.091 435 F CA 0.874 58.911 58.000 0.062 0.000 1.308 435 F CB 0.068 39.086 39.000 0.028 0.000 1.030 435 F HN 0.505 nan 8.300 nan 0.000 0.487 436 R N 1.549 122.102 120.500 0.088 0.000 2.234 436 R HA 0.396 4.739 4.340 0.005 0.000 0.324 436 R C -1.443 174.727 176.300 -0.217 0.000 1.054 436 R CA -0.209 55.837 56.100 -0.091 0.000 0.912 436 R CB 0.693 31.061 30.300 0.112 0.000 1.030 436 R HN 0.003 nan 8.270 nan 0.000 0.455 437 V N 6.026 125.580 119.914 -0.600 0.000 2.547 437 V HA 0.500 4.623 4.120 0.005 0.000 0.299 437 V C -0.695 174.751 176.094 -1.080 0.000 1.040 437 V CA -0.450 61.439 62.300 -0.684 0.000 0.913 437 V CB 1.551 32.894 31.823 -0.801 0.000 0.992 437 V HN 0.647 nan 8.190 nan 0.000 0.449 438 F N 0.985 120.591 119.950 -0.573 0.000 2.941 438 F HA 0.260 4.790 4.527 0.005 0.000 0.359 438 F C 0.432 175.524 175.800 -1.181 0.000 1.231 438 F CA -0.455 56.963 58.000 -0.969 0.000 1.089 438 F CB 1.780 39.969 39.000 -1.352 0.000 1.407 438 F HN 0.325 nan 8.300 nan 0.000 0.538 439 T N 2.415 116.584 114.554 -0.641 0.000 3.182 439 T HA 0.026 4.379 4.350 0.005 0.000 0.274 439 T C -0.144 174.241 174.700 -0.525 0.000 0.997 439 T CA -0.254 61.572 62.100 -0.457 0.000 1.082 439 T CB -0.532 68.290 68.868 -0.076 0.000 1.005 439 T HN 0.284 nan 8.240 nan 0.000 0.688 440 W N 2.916 123.907 121.300 -0.516 0.000 2.209 440 W HA 0.230 4.893 4.660 0.005 0.000 0.344 440 W C 1.309 177.844 176.519 0.026 0.000 1.285 440 W CA -0.652 56.556 57.345 -0.228 0.000 1.267 440 W CB 0.112 29.429 29.460 -0.239 0.000 1.167 440 W HN 0.535 nan 8.180 nan 0.000 0.574 441 S N 1.308 117.129 115.700 0.202 0.000 2.634 441 S HA 0.188 4.661 4.470 0.005 0.000 0.261 441 S C 0.013 174.726 174.600 0.187 0.000 1.271 441 S CA -0.985 57.306 58.200 0.150 0.000 0.985 441 S CB 0.698 63.952 63.200 0.090 0.000 0.968 441 S HN 0.436 nan 8.310 nan 0.000 0.568 442 D N 2.152 122.620 120.400 0.112 0.000 2.368 442 D HA 0.344 4.987 4.640 0.005 0.000 0.240 442 D C -2.304 174.027 176.300 0.051 0.000 1.169 442 D CA -0.858 53.187 54.000 0.075 0.000 0.906 442 D CB 0.077 40.887 40.800 0.017 0.000 1.187 442 D HN 0.361 nan 8.370 nan 0.000 0.435 443 P HA 0.099 nan 4.420 nan 0.000 0.277 443 P C -0.362 176.905 177.300 -0.054 0.000 1.240 443 P CA -0.459 62.615 63.100 -0.044 0.000 0.798 443 P CB 0.619 32.180 31.700 -0.231 0.000 0.979 444 D N 0.363 120.745 120.400 -0.030 0.000 2.478 444 D HA -0.018 4.625 4.640 0.005 0.000 0.274 444 D C 0.973 177.244 176.300 -0.049 0.000 1.234 444 D CA -0.351 53.633 54.000 -0.027 0.000 1.069 444 D CB -0.011 40.785 40.800 -0.005 0.000 1.113 444 D HN 0.429 nan 8.370 nan 0.000 0.571 445 E N -0.528 119.650 120.200 -0.038 0.000 2.515 445 E HA -0.142 4.211 4.350 0.005 0.000 0.201 445 E C -0.213 176.364 176.600 -0.038 0.000 1.071 445 E CA 0.365 56.739 56.400 -0.044 0.000 0.880 445 E CB -0.526 29.155 29.700 -0.032 0.000 0.828 445 E HN 0.307 nan 8.360 nan 0.000 0.540 446 N N 0.535 119.219 118.700 -0.027 0.000 2.214 446 N HA 0.123 4.866 4.740 0.005 0.000 0.214 446 N C 0.865 176.374 175.510 -0.001 0.000 1.132 446 N CA 0.638 53.681 53.050 -0.013 0.000 0.856 446 N CB 1.029 39.514 38.487 -0.004 0.000 1.020 446 N HN 0.373 nan 8.380 nan 0.000 0.509 447 G N 0.211 108.993 108.800 -0.029 0.000 2.168 447 G HA2 -0.274 3.689 3.960 0.005 0.000 0.257 447 G HA3 -0.274 3.689 3.960 0.005 0.000 0.257 447 G C -0.039 174.918 174.900 0.096 0.000 0.997 447 G CA 0.371 45.476 45.100 0.008 0.000 0.708 447 G HN 0.212 nan 8.290 nan 0.000 0.520 448 V N 1.477 121.410 119.914 0.030 0.000 2.509 448 V HA 0.732 4.855 4.120 0.005 0.000 0.284 448 V C 0.775 176.889 176.094 0.034 0.000 1.047 448 V CA 0.076 62.386 62.300 0.017 0.000 0.952 448 V CB 1.350 33.175 31.823 0.003 0.000 0.988 448 V HN 0.726 nan 8.190 nan 0.000 0.469 449 R N 2.150 122.666 120.500 0.027 0.000 2.808 449 R HA 0.886 5.229 4.340 0.005 0.000 0.272 449 R C -0.856 175.537 176.300 0.156 0.000 0.995 449 R CA -0.712 55.444 56.100 0.094 0.000 0.917 449 R CB 2.202 32.587 30.300 0.143 0.000 1.217 449 R HN 0.653 nan 8.270 nan 0.000 0.471 450 T N -2.173 112.499 114.554 0.197 0.000 2.865 450 T HA 0.592 4.944 4.350 0.005 0.000 0.294 450 T C -2.874 171.818 174.700 -0.014 0.000 1.119 450 T CA -2.268 59.940 62.100 0.180 0.000 1.007 450 T CB 2.121 71.048 68.868 0.099 0.000 1.225 450 T HN 0.515 nan 8.240 nan 0.000 0.515 451 P HA 0.298 nan 4.420 nan 0.000 0.287 451 P C 0.735 177.620 177.300 -0.693 0.000 1.294 451 P CA -0.400 62.204 63.100 -0.826 0.000 0.776 451 P CB 1.467 32.329 31.700 -1.396 0.000 0.889 452 V N 2.718 122.400 119.914 -0.387 0.000 2.591 452 V HA -0.043 4.080 4.120 0.005 0.000 0.249 452 V C 1.195 177.219 176.094 -0.117 0.000 1.053 452 V CA 1.715 63.924 62.300 -0.152 0.000 1.068 452 V CB -0.942 30.852 31.823 -0.048 0.000 0.689 452 V HN 0.776 nan 8.190 nan 0.000 0.462 453 H N -2.009 116.774 119.070 -0.478 0.000 2.967 453 H HA 0.538 5.097 4.556 0.005 0.000 0.318 453 H C -0.332 174.712 175.328 -0.473 0.000 1.375 453 H CA 0.163 56.029 56.048 -0.303 0.000 1.132 453 H CB 1.412 31.132 29.762 -0.070 0.000 1.848 453 H HN 0.259 nan 8.280 nan 0.000 0.524 454 G N 1.404 109.743 108.800 -0.768 0.000 2.270 454 G HA2 -0.023 3.940 3.960 0.005 0.000 0.268 454 G HA3 -0.023 3.940 3.960 0.005 0.000 0.268 454 G C -1.113 173.548 174.900 -0.398 0.000 1.312 454 G CA -0.365 44.279 45.100 -0.761 0.000 1.050 454 G HN 0.653 nan 8.290 nan 0.000 0.474 455 E N 0.722 120.566 120.200 -0.594 0.000 2.829 455 E HA 0.340 4.693 4.350 0.005 0.000 0.264 455 E C 1.367 177.958 176.600 -0.015 0.000 0.922 455 E CA 1.611 57.846 56.400 -0.275 0.000 0.960 455 E CB 0.616 30.032 29.700 -0.473 0.000 0.918 455 E HN 0.875 nan 8.360 nan 0.000 0.497 456 T N 0.716 115.174 114.554 -0.160 0.000 3.422 456 T HA 0.081 4.434 4.350 0.005 0.000 0.179 456 T C -0.094 174.446 174.700 -0.266 0.000 0.946 456 T CA -0.661 61.200 62.100 -0.398 0.000 1.025 456 T CB -0.163 68.686 68.868 -0.032 0.000 1.298 456 T HN 0.558 nan 8.240 nan 0.000 0.312 457 W N 3.118 124.158 121.300 -0.432 0.000 2.361 457 W HA 0.633 5.296 4.660 0.005 0.000 0.309 457 W C -2.071 174.265 176.519 -0.305 0.000 1.122 457 W CA -0.812 56.296 57.345 -0.395 0.000 1.208 457 W CB 1.397 30.495 29.460 -0.603 0.000 1.246 457 W HN 0.248 nan 8.180 nan 0.000 0.490 458 V N 6.234 125.595 119.914 -0.921 0.000 2.524 458 V HA 0.710 4.833 4.120 0.005 0.000 0.297 458 V C -0.003 175.502 176.094 -0.982 0.000 1.035 458 V CA -0.618 61.230 62.300 -0.754 0.000 0.867 458 V CB 0.550 32.222 31.823 -0.250 0.000 1.004 458 V HN 0.718 nan 8.190 nan 0.000 0.426 462 E N 5.174 125.055 120.200 -0.531 0.000 2.156 462 E HA 0.438 4.791 4.350 0.005 0.000 0.279 462 E C -0.901 175.394 176.600 -0.508 0.000 0.965 462 E CA -0.566 55.597 56.400 -0.395 0.000 0.789 462 E CB 0.795 30.354 29.700 -0.234 0.000 1.098 462 E HN 0.482 nan 8.360 nan 0.000 0.397 463 F N 3.637 123.493 119.950 -0.156 0.000 2.859 463 F HA 0.063 4.593 4.527 0.005 0.000 0.315 463 F C 0.951 176.702 175.800 -0.080 0.000 1.207 463 F CA -0.291 57.640 58.000 -0.115 0.000 1.370 463 F CB -0.180 38.752 39.000 -0.113 0.000 1.314 463 F HN 0.285 nan 8.300 nan 0.000 0.555 464 S N -1.431 114.243 115.700 -0.044 0.000 2.640 464 S HA 0.423 4.896 4.470 0.005 0.000 0.262 464 S C 0.264 174.864 174.600 -0.000 0.000 1.232 464 S CA -0.689 57.499 58.200 -0.019 0.000 0.988 464 S CB 1.006 64.175 63.200 -0.051 0.000 1.034 464 S HN 0.124 nan 8.310 nan 0.000 0.569 465 T N 2.750 117.306 114.554 0.003 0.000 2.934 465 T HA 0.502 4.855 4.350 0.005 0.000 0.328 465 T C -2.139 172.563 174.700 0.003 0.000 1.068 465 T CA -0.822 61.287 62.100 0.015 0.000 1.018 465 T CB 0.827 69.711 68.868 0.026 0.000 1.009 465 T HN 0.670 nan 8.240 nan 0.000 0.471 466 P HA 0.419 nan 4.420 nan 0.000 0.276 466 P C 0.086 177.360 177.300 -0.044 0.000 1.261 466 P CA -0.516 62.580 63.100 -0.007 0.000 0.800 466 P CB 0.777 32.472 31.700 -0.007 0.000 1.066 467 V N 1.345 121.224 119.914 -0.059 0.000 2.999 467 V HA 0.056 4.179 4.120 0.005 0.000 0.307 467 V C 0.988 176.959 176.094 -0.205 0.000 1.084 467 V CA 0.334 62.533 62.300 -0.167 0.000 1.155 467 V CB 0.041 31.774 31.823 -0.149 0.000 0.975 467 V HN 0.506 nan 8.190 nan 0.000 0.490 468 R N 2.304 122.625 120.500 -0.299 0.000 2.538 468 R HA 0.725 5.068 4.340 0.005 0.000 0.292 468 R C -1.126 174.920 176.300 -0.423 0.000 1.008 468 R CA -0.320 55.605 56.100 -0.292 0.000 0.896 468 R CB 1.871 32.078 30.300 -0.156 0.000 1.187 468 R HN 0.808 nan 8.270 nan 0.000 0.440 469 A N 3.418 125.907 122.820 -0.552 0.000 2.549 469 A HA 0.701 5.024 4.320 0.005 0.000 0.297 469 A C -2.005 175.176 177.584 -0.672 0.000 1.061 469 A CA -0.529 51.169 52.037 -0.564 0.000 0.690 469 A CB 1.348 19.923 19.000 -0.708 0.000 1.287 469 A HN 0.626 nan 8.150 nan 0.000 0.402 470 Y N -0.078 120.091 120.300 -0.218 0.000 2.545 470 Y HA 0.769 5.322 4.550 0.005 0.000 0.348 470 Y C 0.762 176.564 175.900 -0.164 0.000 1.002 470 Y CA 0.199 58.224 58.100 -0.124 0.000 1.039 470 Y CB 2.913 41.296 38.460 -0.128 0.000 1.271 470 Y HN 1.235 nan 8.280 nan 0.000 0.467 471 G N 1.017 109.905 108.800 0.146 0.000 2.548 471 G HA2 0.733 4.696 3.960 0.005 0.000 0.301 471 G HA3 0.733 4.696 3.960 0.005 0.000 0.301 471 G C -2.145 172.875 174.900 0.201 0.000 1.349 471 G CA -0.748 44.345 45.100 -0.011 0.000 0.792 471 G HN 0.573 nan 8.290 nan 0.000 0.481 475 Y N 2.779 122.751 120.300 -0.547 0.000 2.881 475 Y HA 0.596 5.149 4.550 0.005 0.000 0.369 475 Y C 1.083 176.891 175.900 -0.154 0.000 1.066 475 Y CA -0.381 57.450 58.100 -0.448 0.000 1.616 475 Y CB -0.855 37.377 38.460 -0.380 0.000 1.436 475 Y HN 0.517 nan 8.280 nan 0.000 0.505 476 G N 1.915 110.759 108.800 0.075 0.000 2.791 476 G HA2 -0.405 3.558 3.960 0.005 0.000 0.256 476 G HA3 -0.405 3.558 3.960 0.005 0.000 0.256 476 G C 0.025 175.097 174.900 0.285 0.000 1.380 476 G CA 0.269 45.474 45.100 0.174 0.000 0.904 476 G HN 0.557 nan 8.290 nan 0.000 0.563 477 N N -0.130 118.725 118.700 0.258 0.000 2.276 477 N HA 0.387 5.129 4.740 0.005 0.000 0.212 477 N C 0.098 175.814 175.510 0.344 0.000 1.127 477 N CA 1.089 54.309 53.050 0.283 0.000 0.834 477 N CB 0.153 38.723 38.487 0.139 0.000 1.014 477 N HN 0.977 nan 8.380 nan 0.000 0.491 478 S N -0.581 115.290 115.700 0.286 0.000 2.560 478 S HA 0.315 4.788 4.470 0.005 0.000 0.283 478 S C -0.939 173.726 174.600 0.108 0.000 1.141 478 S CA -0.799 57.498 58.200 0.162 0.000 0.902 478 S CB 0.587 63.885 63.200 0.164 0.000 1.104 478 S HN 0.251 nan 8.310 nan 0.000 0.454 479 R N 2.374 122.837 120.500 -0.061 0.000 2.652 479 R HA 0.276 4.619 4.340 0.005 0.000 0.372 479 R C -0.173 175.988 176.300 -0.231 0.000 1.104 479 R CA -0.604 55.331 56.100 -0.275 0.000 1.072 479 R CB -0.115 29.955 30.300 -0.384 0.000 1.367 479 R HN 0.534 nan 8.270 nan 0.000 0.577 480 Q N 2.499 122.222 119.800 -0.130 0.000 2.304 480 Q HA 0.235 4.578 4.340 0.005 0.000 0.260 480 Q C -2.334 173.606 176.000 -0.100 0.000 0.965 480 Q CA -1.952 53.788 55.803 -0.106 0.000 0.898 480 Q CB 1.008 29.705 28.738 -0.068 0.000 1.196 480 Q HN -0.028 nan 8.270 nan 0.000 0.402 481 P HA -0.048 nan 4.420 nan 0.000 0.257 481 P C 0.180 177.449 177.300 -0.051 0.000 1.162 481 P CA 1.651 64.703 63.100 -0.080 0.000 0.762 481 P CB 0.270 31.931 31.700 -0.064 0.000 0.753 482 G N 1.748 110.522 108.800 -0.042 0.000 2.176 482 G HA2 -0.234 3.729 3.960 0.005 0.000 0.253 482 G HA3 -0.234 3.729 3.960 0.005 0.000 0.253 482 G C 0.337 175.224 174.900 -0.022 0.000 0.979 482 G CA 0.251 45.337 45.100 -0.025 0.000 0.641 482 G HN 0.671 nan 8.290 nan 0.000 0.530 483 T N -0.116 114.429 114.554 -0.015 0.000 2.860 483 T HA 0.466 4.819 4.350 0.005 0.000 0.299 483 T C 1.522 176.187 174.700 -0.058 0.000 1.045 483 T CA 0.705 62.793 62.100 -0.021 0.000 1.071 483 T CB 1.478 70.377 68.868 0.053 0.000 0.985 483 T HN 0.908 nan 8.240 nan 0.000 0.537 484 T N -2.554 111.863 114.554 -0.228 0.000 3.188 484 T HA 0.138 4.491 4.350 0.005 0.000 0.250 484 T C 0.307 174.794 174.700 -0.354 0.000 1.077 484 T CA -0.072 61.866 62.100 -0.271 0.000 0.967 484 T CB -0.675 67.993 68.868 -0.332 0.000 1.006 484 T HN 0.811 nan 8.240 nan 0.000 0.552 485 H N -0.636 118.504 119.070 0.117 0.000 2.505 485 H HA 0.350 4.909 4.556 0.005 0.000 0.260 485 H C 0.205 175.656 175.328 0.205 0.000 1.168 485 H CA -0.611 55.517 56.048 0.133 0.000 0.945 485 H CB 0.289 30.124 29.762 0.122 0.000 1.800 485 H HN 0.291 nan 8.280 nan 0.000 0.586 486 Y N 0.934 121.298 120.300 0.107 0.000 2.447 486 Y HA 0.041 4.594 4.550 0.005 0.000 0.286 486 Y C 1.968 177.917 175.900 0.082 0.000 1.153 486 Y CA 0.982 59.136 58.100 0.090 0.000 1.241 486 Y CB 0.285 38.775 38.460 0.050 0.000 1.284 486 Y HN 0.151 nan 8.280 nan 0.000 0.520 487 S N -0.820 114.866 115.700 -0.023 0.000 2.605 487 S HA 0.050 4.523 4.470 0.005 0.000 0.217 487 S C 1.176 175.748 174.600 -0.046 0.000 0.958 487 S CA 0.389 58.512 58.200 -0.129 0.000 0.919 487 S CB -0.150 63.028 63.200 -0.037 0.000 0.780 487 S HN 0.323 nan 8.310 nan 0.000 0.507 488 D N 2.610 123.017 120.400 0.012 0.000 2.158 488 D HA -0.129 4.514 4.640 0.005 0.000 0.197 488 D C 1.777 178.095 176.300 0.030 0.000 0.995 488 D CA 1.448 55.482 54.000 0.057 0.000 0.846 488 D CB 0.003 40.895 40.800 0.152 0.000 0.941 488 D HN 0.637 nan 8.370 nan 0.000 0.456 489 Q N -1.403 118.391 119.800 -0.010 0.000 2.185 489 Q HA 0.160 4.503 4.340 0.005 0.000 0.234 489 Q C 1.524 177.482 176.000 -0.070 0.000 0.819 489 Q CA -0.366 55.417 55.803 -0.033 0.000 0.961 489 Q CB 0.844 29.565 28.738 -0.028 0.000 1.140 489 Q HN 0.133 nan 8.270 nan 0.000 0.492 490 I N 2.499 123.021 120.570 -0.080 0.000 2.208 490 I HA -0.284 3.889 4.170 0.005 0.000 0.245 490 I C 2.271 178.362 176.117 -0.042 0.000 1.097 490 I CA 2.002 63.262 61.300 -0.068 0.000 1.363 490 I CB 0.028 37.990 38.000 -0.062 0.000 1.051 490 I HN 0.217 nan 8.210 nan 0.000 0.413 491 E N 0.183 120.362 120.200 -0.035 0.000 2.268 491 E HA -0.192 4.161 4.350 0.005 0.000 0.195 491 E C 2.141 178.714 176.600 -0.045 0.000 0.995 491 E CA 1.209 57.593 56.400 -0.028 0.000 0.836 491 E CB -0.465 29.226 29.700 -0.016 0.000 0.763 491 E HN 0.378 nan 8.360 nan 0.000 0.491 492 R N 0.279 120.740 120.500 -0.065 0.000 2.073 492 R HA 0.015 4.358 4.340 0.005 0.000 0.229 492 R C 2.282 178.482 176.300 -0.167 0.000 1.120 492 R CA 1.336 57.373 56.100 -0.106 0.000 0.967 492 R CB -0.462 29.773 30.300 -0.109 0.000 0.862 492 R HN 0.228 nan 8.270 nan 0.000 0.436 493 V N 1.443 121.267 119.914 -0.150 0.000 2.343 493 V HA -0.263 3.860 4.120 0.005 0.000 0.247 493 V C 2.536 178.592 176.094 -0.063 0.000 1.051 493 V CA 2.170 64.384 62.300 -0.143 0.000 1.036 493 V CB -0.705 31.097 31.823 -0.035 0.000 0.654 493 V HN 0.464 nan 8.190 nan 0.000 0.451 494 S N 0.636 116.311 115.700 -0.042 0.000 2.400 494 S HA -0.213 4.260 4.470 0.005 0.000 0.232 494 S C 1.908 176.504 174.600 -0.008 0.000 1.025 494 S CA 1.337 59.524 58.200 -0.021 0.000 0.993 494 S CB -0.424 62.765 63.200 -0.019 0.000 0.808 494 S HN 0.641 nan 8.310 nan 0.000 0.478 495 R N 0.850 121.328 120.500 -0.036 0.000 2.334 495 R HA 0.472 4.815 4.340 0.005 0.000 0.216 495 R C 0.946 177.219 176.300 -0.045 0.000 0.905 495 R CA 0.423 56.509 56.100 -0.023 0.000 1.064 495 R CB -0.118 30.166 30.300 -0.027 0.000 1.046 495 R HN 0.506 nan 8.270 nan 0.000 0.508 496 A N 2.233 124.981 122.820 -0.120 0.000 2.822 496 A HA -0.191 4.132 4.320 0.005 0.000 0.287 496 A C -0.245 177.183 177.584 -0.260 0.000 1.479 496 A CA 1.050 52.954 52.037 -0.222 0.000 0.779 496 A CB -1.641 17.406 19.000 0.078 0.000 1.022 496 A HN 0.374 nan 8.150 nan 0.000 0.532 497 D N -0.097 120.130 120.400 -0.288 0.000 2.456 497 D HA 0.540 5.183 4.640 0.005 0.000 0.219 497 D C -0.109 176.051 176.300 -0.233 0.000 1.126 497 D CA -0.163 53.751 54.000 -0.144 0.000 0.890 497 D CB -0.292 40.465 40.800 -0.072 0.000 1.025 497 D HN 0.237 nan 8.370 nan 0.000 0.511 498 F N 2.338 122.289 119.950 0.002 0.000 2.418 498 F HA 0.319 4.849 4.527 0.005 0.000 0.341 498 F C 1.605 177.484 175.800 0.132 0.000 1.120 498 F CA -0.378 57.650 58.000 0.046 0.000 1.232 498 F CB 0.746 39.771 39.000 0.041 0.000 1.175 498 F HN 0.009 nan 8.300 nan 0.000 0.569 499 R N 1.133 121.804 120.500 0.285 0.000 2.459 499 R HA 0.286 4.629 4.340 0.005 0.000 0.281 499 R C -0.388 176.059 176.300 0.244 0.000 1.050 499 R CA -0.945 55.289 56.100 0.224 0.000 1.055 499 R CB 0.800 31.187 30.300 0.144 0.000 1.045 499 R HN 0.630 nan 8.270 nan 0.000 0.495 500 E N 2.458 122.738 120.200 0.133 0.000 2.383 500 E HA 0.078 4.431 4.350 0.005 0.000 0.264 500 E C -0.781 175.717 176.600 -0.169 0.000 1.050 500 E CA -0.378 55.885 56.400 -0.228 0.000 0.896 500 E CB 0.690 30.259 29.700 -0.220 0.000 0.982 500 E HN 0.363 nan 8.360 nan 0.000 0.424 501 L N 5.295 126.339 121.223 -0.298 0.000 2.289 501 L HA 0.306 4.649 4.340 0.005 0.000 0.285 501 L C -0.481 176.195 176.870 -0.322 0.000 1.049 501 L CA -0.704 53.975 54.840 -0.269 0.000 0.804 501 L CB 0.744 42.607 42.059 -0.327 0.000 1.195 501 L HN 0.502 nan 8.230 nan 0.000 0.428 502 L N 5.049 126.148 121.223 -0.207 0.000 2.265 502 L HA 0.346 4.689 4.340 0.005 0.000 0.289 502 L C 0.697 177.496 176.870 -0.119 0.000 1.033 502 L CA -0.234 54.539 54.840 -0.112 0.000 0.814 502 L CB 1.343 43.409 42.059 0.012 0.000 1.203 502 L HN 0.642 nan 8.230 nan 0.000 0.423 503 L N 1.853 122.993 121.223 -0.138 0.000 2.672 503 L HA 0.290 4.633 4.340 0.005 0.000 0.236 503 L C 0.808 177.757 176.870 0.131 0.000 1.092 503 L CA -0.028 54.742 54.840 -0.117 0.000 0.887 503 L CB 0.074 42.061 42.059 -0.120 0.000 1.168 503 L HN 0.601 nan 8.230 nan 0.000 0.502 504 R N 0.569 121.115 120.500 0.077 0.000 2.308 504 R HA 0.164 4.507 4.340 0.005 0.000 0.305 504 R C 0.869 177.228 176.300 0.098 0.000 1.053 504 R CA -0.489 55.664 56.100 0.088 0.000 0.957 504 R CB 1.495 31.821 30.300 0.043 0.000 1.022 504 R HN -0.121 nan 8.270 nan 0.000 0.461 505 R N 3.074 123.630 120.500 0.094 0.000 2.159 505 R HA -0.288 4.055 4.340 0.005 0.000 0.249 505 R C 1.406 177.740 176.300 0.056 0.000 1.136 505 R CA 2.646 58.789 56.100 0.071 0.000 0.951 505 R CB -0.284 30.044 30.300 0.046 0.000 0.876 505 R HN 0.847 nan 8.270 nan 0.000 0.440 506 E N -0.306 119.921 120.200 0.045 0.000 2.097 506 E HA -0.281 4.072 4.350 0.005 0.000 0.196 506 E C 2.028 178.650 176.600 0.038 0.000 1.000 506 E CA 1.687 58.108 56.400 0.035 0.000 0.804 506 E CB -0.455 29.262 29.700 0.028 0.000 0.740 506 E HN 0.551 nan 8.360 nan 0.000 0.454 507 Q N 0.705 120.529 119.800 0.041 0.000 2.123 507 Q HA -0.074 4.269 4.340 0.005 0.000 0.199 507 Q C 2.493 178.526 176.000 0.055 0.000 0.966 507 Q CA 1.491 57.317 55.803 0.038 0.000 0.845 507 Q CB 0.024 28.776 28.738 0.024 0.000 0.907 507 Q HN 0.209 nan 8.270 nan 0.000 0.439 508 V N 1.334 121.295 119.914 0.077 0.000 2.270 508 V HA -0.250 3.873 4.120 0.005 0.000 0.245 508 V C 1.963 178.095 176.094 0.063 0.000 1.043 508 V CA 1.888 64.242 62.300 0.090 0.000 1.014 508 V CB -0.618 31.278 31.823 0.121 0.000 0.645 508 V HN 0.338 nan 8.190 nan 0.000 0.447 509 E N 0.296 120.527 120.200 0.052 0.000 2.136 509 E HA -0.303 4.050 4.350 0.005 0.000 0.202 509 E C 2.166 178.789 176.600 0.039 0.000 1.019 509 E CA 1.645 58.069 56.400 0.040 0.000 0.819 509 E CB -0.301 29.418 29.700 0.032 0.000 0.739 509 E HN 0.620 nan 8.360 nan 0.000 0.458 510 A N 0.344 123.188 122.820 0.039 0.000 2.072 510 A HA 0.176 4.499 4.320 0.005 0.000 0.216 510 A C 2.034 179.643 177.584 0.041 0.000 1.156 510 A CA 1.039 53.098 52.037 0.037 0.000 0.701 510 A CB 0.119 19.139 19.000 0.033 0.000 0.816 510 A HN 0.242 nan 8.150 nan 0.000 0.458 511 A N -0.565 122.283 122.820 0.047 0.000 2.348 511 A HA 0.488 4.811 4.320 0.005 0.000 0.224 511 A C 0.642 178.256 177.584 0.051 0.000 1.227 511 A CA -0.133 51.934 52.037 0.050 0.000 0.885 511 A CB -0.293 18.740 19.000 0.056 0.000 0.933 511 A HN 0.180 nan 8.150 nan 0.000 0.506 512 V N 1.994 121.937 119.914 0.049 0.000 2.720 512 V HA 0.082 4.205 4.120 0.005 0.000 0.307 512 V C -0.101 176.022 176.094 0.049 0.000 1.071 512 V CA 0.639 62.968 62.300 0.048 0.000 1.199 512 V CB 0.223 32.072 31.823 0.043 0.000 0.900 512 V HN 0.638 nan 8.190 nan 0.000 0.494 513 Q N 2.900 122.731 119.800 0.052 0.000 2.426 513 Q HA 0.455 4.798 4.340 0.005 0.000 0.278 513 Q C -0.812 175.226 176.000 0.062 0.000 1.007 513 Q CA -0.832 55.006 55.803 0.059 0.000 0.850 513 Q CB 2.390 31.172 28.738 0.073 0.000 1.427 513 Q HN 0.912 nan 8.270 nan 0.000 0.391 514 E N 0.900 121.139 120.200 0.065 0.000 7.594 514 E HA -0.204 4.149 4.350 0.005 0.000 0.456 514 E C -0.700 175.933 176.600 0.056 0.000 0.371 514 E CA 0.534 56.974 56.400 0.068 0.000 0.673 514 E CB 0.157 29.911 29.700 0.090 0.000 0.967 514 E HN 0.515 nan 8.360 nan 0.000 0.264 515 R N 1.542 122.075 120.500 0.055 0.000 2.678 515 R HA 0.359 4.702 4.340 0.005 0.000 0.267 515 R C -1.791 174.549 176.300 0.066 0.000 1.173 515 R CA -0.031 56.103 56.100 0.057 0.000 1.061 515 R CB 1.326 31.656 30.300 0.050 0.000 1.262 515 R HN 0.529 nan 8.270 nan 0.000 0.427 516 T N 2.351 116.957 114.554 0.087 0.000 2.906 516 T HA 0.511 4.864 4.350 0.005 0.000 0.302 516 T C -2.147 172.667 174.700 0.190 0.000 1.002 516 T CA -1.308 60.860 62.100 0.114 0.000 0.988 516 T CB 1.563 70.489 68.868 0.096 0.000 0.972 516 T HN 0.420 nan 8.240 nan 0.000 0.447 517 P HA 0.603 nan 4.420 nan 0.000 0.284 517 P C -0.986 176.437 177.300 0.204 0.000 1.253 517 P CA -0.554 62.615 63.100 0.114 0.000 0.800 517 P CB 0.669 32.387 31.700 0.031 0.000 0.961 518 F N -0.133 119.830 119.950 0.021 0.000 2.692 518 F HA 0.735 5.265 4.527 0.005 0.000 0.320 518 F C -1.400 174.428 175.800 0.047 0.000 1.123 518 F CA -1.169 56.852 58.000 0.035 0.000 0.961 518 F CB 1.586 40.609 39.000 0.038 0.000 1.383 518 F HN 0.339 nan 8.300 nan 0.000 0.483 519 N N 0.443 119.226 118.700 0.139 0.000 2.452 519 N HA 0.453 5.196 4.740 0.005 0.000 0.277 519 N C -1.894 173.773 175.510 0.261 0.000 1.078 519 N CA -0.638 52.438 53.050 0.044 0.000 0.947 519 N CB 1.939 40.412 38.487 -0.025 0.000 1.655 519 N HN 0.942 nan 8.380 nan 0.000 0.490 520 F N 0.000 120.021 119.950 0.119 0.000 2.286 520 F HA 0.000 4.530 4.527 0.005 0.000 0.279 520 F CA 0.000 58.073 58.000 0.122 0.000 1.383 520 F CB 0.000 39.108 39.000 0.179 0.000 1.145 520 F HN 0.000 nan 8.300 nan 0.000 0.574