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 2mpr_1_C DATA FIRST_RESID 1 DATA SEQUENCE VDFHGYARSG IGWTGSGGEQ QcFQATGAQS KYRLGNEcET YAELKLGQEV DATA SEQUENCE WKEGDKSFYF DTNVAYSVNQ QNDWESTDPA FREANVQGKN LIEWLPGSTI DATA SEQUENCE WAGKRFYQRH DVHMIDFYYW DISGPGAGIE NIDLGFGKLS LAATRSTEAG DATA SEQUENCE GSYTFSSQNI YDEVKDTAND VFDVRLAGLQ TNPDGVLELG VDYGRANTTD DATA SEQUENCE GYKLADGASK DGWMFTAEHT QSMLKGYNKF VVQYATDAMT TQGKGQARGS DATA SEQUENCE DGSSSFTEXX XXXXKINYAN KVINNNGNMW RILDHGAISL GDKWDLMYVG DATA SEQUENCE MYQNIDWDNN LGTEWWTVGV RPMYKWTPIM STLLEVGYDN VKSQQTGDRN DATA SEQUENCE NQYKITLAQQ WQAGDSIWSR PAIRIFATYA KWDEKWGYIK DGDNISRYAA DATA SEQUENCE ATNSGISTNS RGDSDEWTFG AQMEIWW 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.152 176.094 0.097 0.000 1.182 1 V CA 0.000 62.345 62.300 0.075 0.000 1.235 1 V CB 0.000 31.859 31.823 0.059 0.000 1.184 2 D N 5.550 126.024 120.400 0.123 0.000 2.249 2 D HA 0.414 5.054 4.640 0.001 0.000 0.246 2 D C -0.798 175.560 176.300 0.097 0.000 1.114 2 D CA 0.291 54.353 54.000 0.103 0.000 0.854 2 D CB 1.578 42.526 40.800 0.248 0.000 1.132 2 D HN 0.409 nan 8.370 nan 0.000 0.461 3 F N 4.181 124.005 119.950 -0.211 0.000 2.426 3 F HA 0.332 4.860 4.527 0.001 0.000 0.348 3 F C -0.612 175.057 175.800 -0.219 0.000 1.124 3 F CA -0.369 57.604 58.000 -0.045 0.000 1.008 3 F CB 0.613 39.685 39.000 0.120 0.000 1.139 3 F HN 0.264 nan 8.300 nan 0.000 0.452 4 H N 2.550 121.479 119.070 -0.234 0.000 2.966 4 H HA 0.812 5.368 4.556 0.001 0.000 0.330 4 H C -0.006 174.518 175.328 -1.340 0.000 1.292 4 H CA -0.527 54.990 56.048 -0.886 0.000 1.127 4 H CB 1.647 31.150 29.762 -0.432 0.000 1.863 4 H HN 0.831 nan 8.280 nan 0.000 0.543 5 G N -0.549 107.270 108.800 -1.635 0.000 2.368 5 G HA2 0.249 4.209 3.960 0.001 0.000 0.269 5 G HA3 0.249 4.209 3.960 0.001 0.000 0.269 5 G C -2.376 171.916 174.900 -1.014 0.000 1.291 5 G CA -0.566 43.774 45.100 -1.266 0.000 0.903 5 G HN 0.569 nan 8.290 nan 0.000 0.483 6 Y N 0.019 120.035 120.300 -0.473 0.000 2.552 6 Y HA 0.773 5.323 4.550 0.001 0.000 0.337 6 Y C -0.701 175.429 175.900 0.384 0.000 1.094 6 Y CA 0.035 58.221 58.100 0.143 0.000 1.028 6 Y CB 1.845 40.461 38.460 0.261 0.000 1.321 6 Y HN 1.837 nan 8.280 nan 0.000 0.456 7 A N 4.869 127.418 122.820 -0.452 0.000 2.594 7 A HA 0.860 5.181 4.320 0.001 0.000 0.296 7 A C -1.809 175.549 177.584 -0.378 0.000 1.061 7 A CA -0.899 51.024 52.037 -0.190 0.000 0.689 7 A CB 1.723 20.781 19.000 0.097 0.000 1.280 7 A HN 0.967 nan 8.150 nan 0.000 0.406 8 R N -0.063 120.407 120.500 -0.052 0.000 2.626 8 R HA 0.897 5.237 4.340 0.001 0.000 0.274 8 R C -1.032 175.318 176.300 0.084 0.000 1.031 8 R CA -0.368 55.755 56.100 0.038 0.000 0.898 8 R CB 1.934 32.350 30.300 0.193 0.000 1.222 8 R HN 1.079 nan 8.270 nan 0.000 0.455 9 S N 0.476 116.212 115.700 0.061 0.000 2.543 9 S HA 0.814 5.285 4.470 0.001 0.000 0.274 9 S C -1.249 173.382 174.600 0.051 0.000 1.149 9 S CA 0.100 58.329 58.200 0.049 0.000 0.866 9 S CB 1.763 64.974 63.200 0.018 0.000 1.111 9 S HN 1.167 nan 8.310 nan 0.000 0.457 10 G N 1.748 110.571 108.800 0.039 0.000 2.561 10 G HA2 0.640 4.601 3.960 0.001 0.000 0.310 10 G HA3 0.640 4.601 3.960 0.001 0.000 0.310 10 G C -2.051 172.831 174.900 -0.031 0.000 1.292 10 G CA -0.305 44.822 45.100 0.044 0.000 0.811 10 G HN 1.033 nan 8.290 nan 0.000 0.482 11 I N -0.230 120.294 120.570 -0.076 0.000 2.656 11 I HA 0.745 4.915 4.170 0.001 0.000 0.292 11 I C -0.167 175.683 176.117 -0.444 0.000 1.144 11 I CA -0.534 60.587 61.300 -0.298 0.000 1.038 11 I CB 1.998 39.798 38.000 -0.333 0.000 1.244 11 I HN 1.051 nan 8.210 nan 0.000 0.420 12 G N 5.924 114.314 108.800 -0.682 0.000 2.695 12 G HA2 0.572 4.533 3.960 0.001 0.000 0.290 12 G HA3 0.572 4.533 3.960 0.001 0.000 0.290 12 G C -2.350 171.983 174.900 -0.945 0.000 1.410 12 G CA -0.496 44.230 45.100 -0.623 0.000 0.844 12 G HN 0.550 nan 8.290 nan 0.000 0.478 13 W N -0.065 120.880 121.300 -0.592 0.000 3.032 13 W HA 0.503 5.163 4.660 0.001 0.000 0.335 13 W C -0.699 175.410 176.519 -0.684 0.000 1.154 13 W CA -0.576 56.354 57.345 -0.690 0.000 1.204 13 W CB 2.506 31.341 29.460 -1.041 0.000 1.416 13 W HN 0.424 nan 8.180 nan 0.000 0.521 14 T N 1.283 115.717 114.554 -0.199 0.000 2.799 14 T HA 0.228 4.578 4.350 0.001 0.000 0.286 14 T C 1.283 175.819 174.700 -0.273 0.000 0.973 14 T CA 0.039 62.031 62.100 -0.181 0.000 1.035 14 T CB 1.703 70.542 68.868 -0.048 0.000 0.932 14 T HN 0.622 nan 8.240 nan 0.000 0.469 15 G N 2.054 110.474 108.800 -0.634 0.000 2.505 15 G HA2 -0.262 3.699 3.960 0.001 0.000 0.220 15 G HA3 -0.262 3.699 3.960 0.001 0.000 0.220 15 G C 1.678 176.504 174.900 -0.122 0.000 1.145 15 G CA 1.282 45.862 45.100 -0.866 0.000 0.761 15 G HN 0.758 nan 8.290 nan 0.000 0.571 16 S N -0.614 115.069 115.700 -0.028 0.000 2.562 16 S HA 0.461 4.932 4.470 0.001 0.000 0.221 16 S C 0.931 175.573 174.600 0.070 0.000 0.975 16 S CA 0.609 58.859 58.200 0.084 0.000 0.918 16 S CB 0.059 63.325 63.200 0.109 0.000 0.772 16 S HN 1.568 nan 8.310 nan 0.000 0.531 17 G N -1.010 107.816 108.800 0.045 0.000 2.326 17 G HA2 0.518 4.478 3.960 0.001 0.000 0.478 17 G HA3 0.518 4.478 3.960 0.001 0.000 0.478 17 G C 0.013 174.941 174.900 0.047 0.000 1.551 17 G CA -0.401 44.735 45.100 0.060 0.000 0.946 17 G HN 1.537 nan 8.290 nan 0.000 0.671 18 G N 0.444 109.284 108.800 0.067 0.000 2.698 18 G HA2 0.264 4.225 3.960 0.001 0.000 0.233 18 G HA3 0.264 4.225 3.960 0.001 0.000 0.233 18 G C 0.204 175.094 174.900 -0.016 0.000 1.352 18 G CA 0.779 45.902 45.100 0.038 0.000 0.879 18 G HN 1.934 nan 8.290 nan 0.000 0.567 19 E N 0.327 120.473 120.200 -0.089 0.000 2.447 19 E HA 0.367 4.718 4.350 0.001 0.000 0.259 19 E C 1.012 177.497 176.600 -0.191 0.000 1.196 19 E CA 0.308 56.586 56.400 -0.204 0.000 0.995 19 E CB 0.295 29.892 29.700 -0.172 0.000 0.974 19 E HN 0.775 nan 8.360 nan 0.000 0.465 20 Q N 0.487 120.134 119.800 -0.254 0.000 2.392 20 Q HA -0.028 4.313 4.340 0.001 0.000 0.262 20 Q C -0.703 175.187 176.000 -0.183 0.000 1.003 20 Q CA 0.267 55.954 55.803 -0.194 0.000 0.888 20 Q CB 0.517 29.158 28.738 -0.163 0.000 1.260 20 Q HN 0.444 nan 8.270 nan 0.000 0.435 21 Q N 1.495 121.157 119.800 -0.230 0.000 2.377 21 Q HA 0.461 4.801 4.340 0.001 0.000 0.271 21 Q C -1.467 174.076 176.000 -0.763 0.000 1.077 21 Q CA -0.814 54.772 55.803 -0.362 0.000 0.820 21 Q CB 2.376 30.973 28.738 -0.236 0.000 1.347 21 Q HN 0.671 nan 8.270 nan 0.000 0.444 22 c N 1.861 120.041 118.600 -0.701 0.000 2.376 22 c HA 0.626 5.196 4.570 0.001 0.000 0.335 22 c C -0.966 172.643 174.090 -0.802 0.000 1.229 22 c CA -0.650 55.229 56.329 -0.750 0.000 1.867 22 c CB -0.075 42.229 42.510 -0.344 0.000 2.319 22 c HN 0.631 nan 8.230 nan 0.000 0.515 23 F N 2.388 122.281 119.950 -0.095 0.000 2.402 23 F HA 0.593 5.121 4.527 0.001 0.000 0.355 23 F C 0.196 175.906 175.800 -0.150 0.000 1.123 23 F CA -0.427 57.463 58.000 -0.183 0.000 1.021 23 F CB 0.722 39.640 39.000 -0.136 0.000 1.160 23 F HN 0.511 nan 8.300 nan 0.000 0.451 24 Q N 2.208 121.964 119.800 -0.073 0.000 2.305 24 Q HA 0.766 5.106 4.340 0.001 0.000 0.271 24 Q C -1.201 174.695 176.000 -0.174 0.000 1.046 24 Q CA -0.996 54.754 55.803 -0.088 0.000 0.798 24 Q CB 2.285 30.956 28.738 -0.111 0.000 1.286 24 Q HN 0.845 nan 8.270 nan 0.000 0.435 25 A N 2.744 125.479 122.820 -0.142 0.000 2.488 25 A HA 0.273 4.594 4.320 0.001 0.000 0.249 25 A C -0.017 177.402 177.584 -0.275 0.000 1.083 25 A CA 0.051 51.970 52.037 -0.198 0.000 0.768 25 A CB 0.204 19.134 19.000 -0.116 0.000 1.017 25 A HN 0.742 nan 8.150 nan 0.000 0.496 26 T N 2.270 116.619 114.554 -0.342 0.000 2.831 26 T HA 0.411 4.761 4.350 0.001 0.000 0.291 26 T C 1.533 175.962 174.700 -0.451 0.000 0.981 26 T CA 1.465 63.331 62.100 -0.389 0.000 1.174 26 T CB 0.306 68.862 68.868 -0.521 0.000 0.929 26 T HN 1.919 nan 8.240 nan 0.000 0.532 27 G N 2.325 110.999 108.800 -0.210 0.000 2.259 27 G HA2 -0.063 3.898 3.960 0.001 0.000 0.217 27 G HA3 -0.063 3.898 3.960 0.001 0.000 0.217 27 G C 0.286 174.984 174.900 -0.336 0.000 1.001 27 G CA -0.185 44.890 45.100 -0.041 0.000 0.627 27 G HN 1.125 nan 8.290 nan 0.000 0.501 28 A N 0.259 122.726 122.820 -0.587 0.000 2.354 28 A HA 0.692 5.012 4.320 0.001 0.000 0.269 28 A C 0.937 177.975 177.584 -0.909 0.000 1.109 28 A CA 0.565 51.861 52.037 -1.235 0.000 0.800 28 A CB 0.427 18.921 19.000 -0.843 0.000 1.045 28 A HN 0.412 nan 8.150 nan 0.000 0.489 29 Q N 0.476 119.533 119.800 -1.238 0.000 2.365 29 Q HA 0.141 4.482 4.340 0.001 0.000 0.203 29 Q C 0.145 176.113 176.000 -0.053 0.000 0.929 29 Q CA 0.570 56.148 55.803 -0.375 0.000 0.948 29 Q CB -0.018 28.727 28.738 0.011 0.000 1.043 29 Q HN 0.884 nan 8.270 nan 0.000 0.505 30 S N -0.233 115.402 115.700 -0.109 0.000 2.661 30 S HA 0.594 5.065 4.470 0.001 0.000 0.268 30 S C -1.556 173.042 174.600 -0.004 0.000 1.162 30 S CA -1.150 57.083 58.200 0.055 0.000 0.817 30 S CB 1.660 64.969 63.200 0.181 0.000 1.141 30 S HN 0.192 nan 8.310 nan 0.000 0.477 31 K N -0.432 119.941 120.400 -0.045 0.000 2.536 31 K HA 0.549 4.869 4.320 0.001 0.000 0.269 31 K C -1.992 174.521 176.600 -0.144 0.000 0.965 31 K CA -0.996 55.270 56.287 -0.035 0.000 0.860 31 K CB 0.842 33.350 32.500 0.012 0.000 1.423 31 K HN 0.567 nan 8.250 nan 0.000 0.438 32 Y N 2.355 122.709 120.300 0.091 0.000 2.531 32 Y HA 0.070 4.621 4.550 0.001 0.000 0.347 32 Y C 1.721 177.651 175.900 0.050 0.000 1.024 32 Y CA -0.049 58.100 58.100 0.081 0.000 1.306 32 Y CB 0.937 39.469 38.460 0.119 0.000 1.149 32 Y HN 0.694 nan 8.280 nan 0.000 0.527 33 R N 2.321 122.854 120.500 0.054 0.000 2.148 33 R HA -0.015 4.326 4.340 0.001 0.000 0.223 33 R C 0.327 176.630 176.300 0.005 0.000 1.088 33 R CA 0.429 56.536 56.100 0.011 0.000 0.985 33 R CB -0.064 30.209 30.300 -0.045 0.000 0.880 33 R HN 0.516 nan 8.270 nan 0.000 0.451 34 L N 2.852 124.103 121.223 0.047 0.000 2.628 34 L HA 0.012 4.353 4.340 0.001 0.000 0.274 34 L C 0.318 177.099 176.870 -0.148 0.000 1.209 34 L CA 1.589 56.426 54.840 -0.004 0.000 0.930 34 L CB 0.166 42.273 42.059 0.081 0.000 1.183 34 L HN 0.840 nan 8.230 nan 0.000 0.492 35 G N 3.855 112.363 108.800 -0.488 0.000 2.305 35 G HA2 -0.339 3.621 3.960 0.001 0.000 0.287 35 G HA3 -0.339 3.621 3.960 0.001 0.000 0.287 35 G C 0.365 174.954 174.900 -0.520 0.000 1.036 35 G CA 0.770 45.120 45.100 -1.250 0.000 0.887 35 G HN 0.811 nan 8.290 nan 0.000 0.505 36 N N -0.261 118.279 118.700 -0.266 0.000 2.527 36 N HA 0.165 4.905 4.740 0.001 0.000 0.279 36 N C -0.546 174.897 175.510 -0.111 0.000 1.571 36 N CA -0.115 52.868 53.050 -0.112 0.000 0.858 36 N CB 0.614 39.114 38.487 0.022 0.000 1.422 36 N HN 0.557 nan 8.380 nan 0.000 0.491 37 E N -0.267 119.865 120.200 -0.114 0.000 2.199 37 E HA 0.375 4.725 4.350 0.001 0.000 0.265 37 E C -0.463 176.108 176.600 -0.048 0.000 0.882 37 E CA -0.559 55.807 56.400 -0.057 0.000 0.759 37 E CB 1.486 31.183 29.700 -0.005 0.000 1.148 37 E HN 0.200 nan 8.360 nan 0.000 0.412 38 c N 3.306 121.873 118.600 -0.054 0.000 2.863 38 c HA 0.183 4.754 4.570 0.001 0.000 0.284 38 c C -0.081 173.993 174.090 -0.026 0.000 1.426 38 c CA -0.343 55.950 56.329 -0.060 0.000 1.782 38 c CB -1.064 41.380 42.510 -0.111 0.000 2.554 38 c HN 0.619 nan 8.230 nan 0.000 0.566 39 E N -0.861 119.351 120.200 0.019 0.000 2.433 39 E HA 0.311 4.662 4.350 0.001 0.000 0.278 39 E C -1.443 175.218 176.600 0.103 0.000 0.976 39 E CA -0.381 56.051 56.400 0.053 0.000 0.793 39 E CB 0.891 30.636 29.700 0.075 0.000 1.311 39 E HN -0.071 nan 8.360 nan 0.000 0.460 40 T N 1.937 116.555 114.554 0.107 0.000 2.733 40 T HA 0.363 4.713 4.350 0.001 0.000 0.294 40 T C -1.302 173.524 174.700 0.210 0.000 0.956 40 T CA -0.218 61.956 62.100 0.123 0.000 0.987 40 T CB -0.337 68.564 68.868 0.055 0.000 0.920 40 T HN 0.365 nan 8.240 nan 0.000 0.470 41 Y N 2.491 122.882 120.300 0.152 0.000 2.446 41 Y HA 0.669 5.220 4.550 0.001 0.000 0.345 41 Y C -0.841 175.220 175.900 0.270 0.000 0.984 41 Y CA -0.998 57.231 58.100 0.216 0.000 1.058 41 Y CB 1.319 39.932 38.460 0.254 0.000 1.220 41 Y HN 0.720 nan 8.280 nan 0.000 0.455 42 A N 4.787 127.357 122.820 -0.417 0.000 2.517 42 A HA 0.624 4.944 4.320 0.001 0.000 0.297 42 A C -1.729 175.774 177.584 -0.135 0.000 1.050 42 A CA -0.834 51.150 52.037 -0.087 0.000 0.694 42 A CB 1.396 20.435 19.000 0.065 0.000 1.277 42 A HN 0.761 nan 8.150 nan 0.000 0.400 43 E N 1.783 122.037 120.200 0.089 0.000 2.191 43 E HA 0.488 4.838 4.350 0.001 0.000 0.263 43 E C -1.340 175.350 176.600 0.150 0.000 0.881 43 E CA -0.438 56.021 56.400 0.098 0.000 0.757 43 E CB 1.937 31.725 29.700 0.147 0.000 1.147 43 E HN 0.565 nan 8.360 nan 0.000 0.414 44 L N 3.881 125.244 121.223 0.232 0.000 2.277 44 L HA 0.424 4.765 4.340 0.001 0.000 0.284 44 L C -0.219 176.783 176.870 0.220 0.000 1.028 44 L CA -0.575 54.475 54.840 0.351 0.000 0.835 44 L CB 0.652 43.001 42.059 0.483 0.000 1.215 44 L HN 0.281 nan 8.230 nan 0.000 0.425 45 K N 5.107 125.586 120.400 0.131 0.000 2.185 45 K HA 0.672 4.992 4.320 0.001 0.000 0.269 45 K C -0.959 175.761 176.600 0.201 0.000 0.987 45 K CA -0.496 55.828 56.287 0.062 0.000 0.865 45 K CB 2.199 34.665 32.500 -0.057 0.000 1.090 45 K HN 0.464 nan 8.250 nan 0.000 0.450 46 L N 2.386 123.680 121.223 0.119 0.000 2.372 46 L HA 0.536 4.876 4.340 0.001 0.000 0.274 46 L C 0.097 176.955 176.870 -0.020 0.000 0.988 46 L CA -0.640 54.277 54.840 0.128 0.000 0.833 46 L CB 1.894 44.029 42.059 0.126 0.000 1.236 46 L HN 0.807 nan 8.230 nan 0.000 0.410 47 G N 2.119 110.927 108.800 0.014 0.000 2.818 47 G HA2 0.727 4.687 3.960 0.001 0.000 0.286 47 G HA3 0.727 4.687 3.960 0.001 0.000 0.286 47 G C -1.894 172.922 174.900 -0.139 0.000 1.364 47 G CA -0.314 44.691 45.100 -0.160 0.000 0.938 47 G HN 0.437 nan 8.290 nan 0.000 0.490 48 Q N -0.877 118.631 119.800 -0.487 0.000 2.503 48 Q HA 0.232 4.573 4.340 0.001 0.000 0.268 48 Q C -1.698 174.044 176.000 -0.431 0.000 0.982 48 Q CA -0.581 55.069 55.803 -0.256 0.000 0.907 48 Q CB 2.383 31.118 28.738 -0.006 0.000 1.467 48 Q HN 0.606 nan 8.270 nan 0.000 0.394 49 E N 2.565 122.759 120.200 -0.010 0.000 1.996 49 E HA 0.166 4.516 4.350 0.001 0.000 0.280 49 E C 0.686 177.382 176.600 0.160 0.000 1.092 49 E CA -0.097 56.422 56.400 0.199 0.000 0.862 49 E CB 0.708 30.601 29.700 0.321 0.000 1.066 49 E HN 0.522 nan 8.360 nan 0.000 0.396 50 V N 2.661 122.685 119.914 0.182 0.000 3.306 50 V HA 0.192 4.313 4.120 0.001 0.000 0.264 50 V C 0.218 176.505 176.094 0.321 0.000 1.149 50 V CA 0.046 62.458 62.300 0.187 0.000 1.143 50 V CB -0.790 31.096 31.823 0.106 0.000 0.767 50 V HN 0.647 nan 8.190 nan 0.000 0.476 51 W N 0.266 121.660 121.300 0.157 0.000 3.707 51 W HA 0.639 5.299 4.660 0.001 0.000 0.294 51 W C -1.158 175.477 176.519 0.193 0.000 1.248 51 W CA -0.797 56.650 57.345 0.171 0.000 1.217 51 W CB 1.359 30.947 29.460 0.213 0.000 1.306 51 W HN -0.100 nan 8.180 nan 0.000 0.532 52 K N 4.189 124.358 120.400 -0.385 0.000 2.535 52 K HA 0.398 4.719 4.320 0.001 0.000 0.251 52 K C -1.745 174.345 176.600 -0.850 0.000 0.942 52 K CA -0.519 55.492 56.287 -0.460 0.000 0.798 52 K CB 2.103 34.506 32.500 -0.161 0.000 1.267 52 K HN 0.549 nan 8.250 nan 0.000 0.434 53 E N 3.232 122.950 120.200 -0.803 0.000 2.542 53 E HA 0.334 4.685 4.350 0.001 0.000 0.298 53 E C -0.125 176.314 176.600 -0.268 0.000 0.980 53 E CA 0.254 56.303 56.400 -0.585 0.000 0.792 53 E CB 0.868 30.107 29.700 -0.768 0.000 1.463 53 E HN 0.928 nan 8.360 nan 0.000 0.389 54 G N 4.095 112.793 108.800 -0.170 0.000 2.552 54 G HA2 -0.314 3.646 3.960 0.001 0.000 0.267 54 G HA3 -0.314 3.646 3.960 0.001 0.000 0.267 54 G C 0.437 175.293 174.900 -0.072 0.000 1.174 54 G CA 0.291 45.339 45.100 -0.087 0.000 0.955 54 G HN 0.592 nan 8.290 nan 0.000 0.546 55 D N 1.680 122.055 120.400 -0.042 0.000 2.354 55 D HA 0.107 4.747 4.640 0.001 0.000 0.209 55 D C 0.941 177.228 176.300 -0.022 0.000 1.015 55 D CA 0.592 54.573 54.000 -0.031 0.000 0.867 55 D CB 0.292 41.079 40.800 -0.021 0.000 0.933 55 D HN 0.432 nan 8.370 nan 0.000 0.520 56 K N 1.037 121.434 120.400 -0.005 0.000 2.174 56 K HA 0.376 4.696 4.320 0.001 0.000 0.275 56 K C 0.202 176.856 176.600 0.090 0.000 1.015 56 K CA -0.211 56.114 56.287 0.062 0.000 0.933 56 K CB 1.498 34.125 32.500 0.211 0.000 1.025 56 K HN -0.075 nan 8.250 nan 0.000 0.463 57 S N 1.156 116.924 115.700 0.114 0.000 2.588 57 S HA 0.597 5.067 4.470 0.001 0.000 0.269 57 S C -1.420 173.240 174.600 0.101 0.000 1.157 57 S CA -1.067 57.276 58.200 0.238 0.000 0.824 57 S CB 0.651 63.938 63.200 0.146 0.000 1.126 57 S HN 0.357 nan 8.310 nan 0.000 0.464 58 F N 1.317 121.502 119.950 0.392 0.000 2.518 58 F HA 0.599 5.127 4.527 0.001 0.000 0.323 58 F C -0.765 175.206 175.800 0.286 0.000 1.129 58 F CA -0.574 57.592 58.000 0.277 0.000 0.920 58 F CB 1.759 40.875 39.000 0.193 0.000 1.160 58 F HN 0.773 nan 8.300 nan 0.000 0.440 59 Y N 4.427 124.914 120.300 0.311 0.000 2.364 59 Y HA 0.555 5.105 4.550 0.001 0.000 0.340 59 Y C -1.525 174.546 175.900 0.284 0.000 0.975 59 Y CA -1.546 56.697 58.100 0.238 0.000 1.089 59 Y CB 1.235 39.767 38.460 0.119 0.000 1.192 59 Y HN 0.473 nan 8.280 nan 0.000 0.454 60 F N 6.003 125.713 119.950 -0.401 0.000 2.458 60 F HA 0.543 5.070 4.527 0.001 0.000 0.336 60 F C -1.288 174.337 175.800 -0.291 0.000 1.114 60 F CA -0.716 57.160 58.000 -0.206 0.000 0.987 60 F CB 1.053 39.961 39.000 -0.153 0.000 1.130 60 F HN 0.543 nan 8.300 nan 0.000 0.458 61 D N 2.768 122.718 120.400 -0.751 0.000 2.671 61 D HA 0.548 5.188 4.640 0.001 0.000 0.232 61 D C -1.074 174.771 176.300 -0.758 0.000 1.114 61 D CA -0.011 53.631 54.000 -0.597 0.000 0.858 61 D CB 2.385 43.111 40.800 -0.122 0.000 1.544 61 D HN 0.713 nan 8.370 nan 0.000 0.471 62 T N 0.103 114.321 114.554 -0.560 0.000 2.865 62 T HA 0.707 5.058 4.350 0.001 0.000 0.294 62 T C -1.014 173.472 174.700 -0.357 0.000 1.119 62 T CA -0.859 60.970 62.100 -0.451 0.000 1.007 62 T CB 1.790 70.504 68.868 -0.257 0.000 1.225 62 T HN 0.252 nan 8.240 nan 0.000 0.515 63 N N 0.136 118.590 118.700 -0.410 0.000 2.600 63 N HA 0.377 5.117 4.740 0.001 0.000 0.272 63 N C -2.111 173.238 175.510 -0.268 0.000 1.095 63 N CA -0.385 52.468 53.050 -0.329 0.000 0.993 63 N CB 2.115 40.288 38.487 -0.524 0.000 1.603 63 N HN 0.647 nan 8.380 nan 0.000 0.526 64 V N 1.938 121.812 119.914 -0.067 0.000 2.409 64 V HA 0.842 4.962 4.120 0.001 0.000 0.291 64 V C 0.146 176.163 176.094 -0.129 0.000 1.020 64 V CA -0.796 61.479 62.300 -0.042 0.000 0.848 64 V CB 1.094 32.968 31.823 0.084 0.000 0.990 64 V HN 0.797 nan 8.190 nan 0.000 0.430 65 A N 4.872 127.549 122.820 -0.238 0.000 2.312 65 A HA 0.911 5.231 4.320 0.001 0.000 0.326 65 A C -1.436 175.870 177.584 -0.462 0.000 1.172 65 A CA -0.385 51.508 52.037 -0.240 0.000 0.821 65 A CB 0.815 19.782 19.000 -0.054 0.000 1.166 65 A HN 0.731 nan 8.150 nan 0.000 0.493 66 Y N 0.195 120.373 120.300 -0.204 0.000 2.442 66 Y HA 0.615 5.166 4.550 0.001 0.000 0.344 66 Y C 0.357 176.178 175.900 -0.132 0.000 0.976 66 Y CA -0.444 57.585 58.100 -0.119 0.000 1.040 66 Y CB 2.622 41.026 38.460 -0.093 0.000 1.228 66 Y HN 0.566 nan 8.280 nan 0.000 0.451 67 S N 3.041 118.833 115.700 0.154 0.000 2.707 67 S HA 0.801 5.271 4.470 0.001 0.000 0.303 67 S C -1.299 173.381 174.600 0.135 0.000 1.132 67 S CA -0.562 57.761 58.200 0.206 0.000 1.046 67 S CB 0.249 63.617 63.200 0.281 0.000 1.004 67 S HN 0.603 nan 8.310 nan 0.000 0.483 68 V N 2.948 122.927 119.914 0.108 0.000 3.040 68 V HA 0.668 4.789 4.120 0.001 0.000 0.312 68 V C 0.221 176.344 176.094 0.047 0.000 1.115 68 V CA -1.010 61.325 62.300 0.059 0.000 0.998 68 V CB 1.998 33.835 31.823 0.023 0.000 1.042 68 V HN 0.732 nan 8.190 nan 0.000 0.433 69 N N 1.300 120.014 118.700 0.024 0.000 2.449 69 N HA -0.008 4.732 4.740 0.001 0.000 0.191 69 N C 0.739 176.241 175.510 -0.012 0.000 1.161 69 N CA 0.822 53.876 53.050 0.007 0.000 0.863 69 N CB -0.068 38.417 38.487 -0.002 0.000 0.980 69 N HN 1.041 nan 8.380 nan 0.000 0.458 70 Q N -0.317 119.477 119.800 -0.010 0.000 2.439 70 Q HA -0.275 4.065 4.340 0.001 0.000 0.325 70 Q C -0.233 175.739 176.000 -0.046 0.000 1.372 70 Q CA 0.887 56.673 55.803 -0.028 0.000 0.909 70 Q CB -2.322 26.397 28.738 -0.031 0.000 1.167 70 Q HN 0.454 nan 8.270 nan 0.000 0.418 71 Q N -0.443 119.340 119.800 -0.029 0.000 2.316 71 Q HA 0.289 4.630 4.340 0.001 0.000 0.235 71 Q C 0.167 176.161 176.000 -0.011 0.000 0.863 71 Q CA 0.193 55.977 55.803 -0.031 0.000 0.939 71 Q CB 0.667 29.394 28.738 -0.018 0.000 1.108 71 Q HN 0.498 nan 8.270 nan 0.000 0.522 72 N N -0.555 118.148 118.700 0.006 0.000 2.934 72 N HA -0.006 4.734 4.740 0.001 0.000 0.253 72 N C -0.406 175.124 175.510 0.035 0.000 1.466 72 N CA -0.242 52.827 53.050 0.031 0.000 0.858 72 N CB 1.580 40.105 38.487 0.065 0.000 1.459 72 N HN -0.127 nan 8.380 nan 0.000 0.532 73 D N -0.140 120.299 120.400 0.064 0.000 2.092 73 D HA -0.106 4.535 4.640 0.001 0.000 0.203 73 D C 0.092 176.443 176.300 0.085 0.000 0.978 73 D CA 1.010 55.051 54.000 0.067 0.000 0.861 73 D CB -0.018 40.841 40.800 0.098 0.000 1.005 73 D HN 0.397 nan 8.370 nan 0.000 0.450 74 W N 2.579 123.873 121.300 -0.010 0.000 2.605 74 W HA 0.241 4.901 4.660 0.001 0.000 0.327 74 W C -0.924 175.595 176.519 -0.001 0.000 1.332 74 W CA 0.053 57.394 57.345 -0.007 0.000 1.403 74 W CB -0.220 29.238 29.460 -0.005 0.000 1.452 74 W HN 0.124 nan 8.180 nan 0.000 0.503 75 E N 4.293 124.353 120.200 -0.235 0.000 2.235 75 E HA 0.150 4.500 4.350 0.001 0.000 0.252 75 E C -0.375 176.103 176.600 -0.203 0.000 0.886 75 E CA -0.404 55.933 56.400 -0.106 0.000 0.767 75 E CB 1.635 31.303 29.700 -0.054 0.000 1.205 75 E HN 0.068 nan 8.360 nan 0.000 0.421 76 S N 1.543 117.192 115.700 -0.086 0.000 2.585 76 S HA 0.384 4.854 4.470 0.001 0.000 0.273 76 S C 0.120 174.724 174.600 0.007 0.000 1.339 76 S CA 0.045 58.221 58.200 -0.041 0.000 1.028 76 S CB 1.326 64.599 63.200 0.121 0.000 0.906 76 S HN 0.517 nan 8.310 nan 0.000 0.528 77 T N 0.826 115.395 114.554 0.026 0.000 2.749 77 T HA 0.264 4.615 4.350 0.001 0.000 0.310 77 T C -2.349 172.378 174.700 0.045 0.000 1.496 77 T CA -0.797 61.332 62.100 0.049 0.000 1.006 77 T CB 1.155 70.070 68.868 0.079 0.000 1.457 77 T HN 0.470 nan 8.240 nan 0.000 0.497 78 D N 3.883 124.298 120.400 0.024 0.000 2.454 78 D HA 0.351 4.992 4.640 0.001 0.000 0.225 78 D C -1.968 174.304 176.300 -0.047 0.000 1.081 78 D CA -0.959 53.040 54.000 -0.002 0.000 0.864 78 D CB 1.499 42.300 40.800 0.000 0.000 1.040 78 D HN 0.388 nan 8.370 nan 0.000 0.517 79 P HA 0.176 nan 4.420 nan 0.000 0.269 79 P C -0.784 176.417 177.300 -0.164 0.000 1.215 79 P CA -0.460 62.455 63.100 -0.309 0.000 0.780 79 P CB 1.017 32.387 31.700 -0.549 0.000 0.898 80 A N 2.801 125.529 122.820 -0.153 0.000 2.274 80 A HA 0.376 4.696 4.320 0.001 0.000 0.309 80 A C -0.722 176.868 177.584 0.010 0.000 1.226 80 A CA -0.528 51.488 52.037 -0.035 0.000 0.853 80 A CB -0.235 18.762 19.000 -0.005 0.000 1.146 80 A HN 0.492 nan 8.150 nan 0.000 0.518 81 F N 3.581 123.468 119.950 -0.106 0.000 2.406 81 F HA 0.346 4.874 4.527 0.001 0.000 0.358 81 F C 1.164 176.913 175.800 -0.084 0.000 1.161 81 F CA -0.704 57.236 58.000 -0.100 0.000 1.185 81 F CB 0.517 39.473 39.000 -0.073 0.000 1.421 81 F HN 0.748 nan 8.300 nan 0.000 0.576 82 R N 2.245 122.547 120.500 -0.330 0.000 2.140 82 R HA 0.153 4.494 4.340 0.001 0.000 0.213 82 R C -0.186 175.811 176.300 -0.505 0.000 1.059 82 R CA 0.582 56.497 56.100 -0.308 0.000 1.000 82 R CB 0.265 30.484 30.300 -0.135 0.000 0.910 82 R HN 0.504 nan 8.270 nan 0.000 0.455 83 E N -0.506 119.242 120.200 -0.754 0.000 2.340 83 E HA 0.623 4.973 4.350 0.001 0.000 0.273 83 E C -1.552 174.631 176.600 -0.697 0.000 0.891 83 E CA -0.785 55.218 56.400 -0.660 0.000 0.757 83 E CB 2.478 31.758 29.700 -0.700 0.000 1.231 83 E HN 0.128 nan 8.360 nan 0.000 0.439 84 A N 2.799 125.389 122.820 -0.384 0.000 2.330 84 A HA 0.354 4.674 4.320 0.001 0.000 0.303 84 A C -1.363 176.237 177.584 0.027 0.000 1.150 84 A CA -0.824 51.118 52.037 -0.158 0.000 0.921 84 A CB -0.294 18.717 19.000 0.019 0.000 1.462 84 A HN 0.727 nan 8.150 nan 0.000 0.388 85 N N -0.641 118.083 118.700 0.040 0.000 2.732 85 N HA 0.774 5.515 4.740 0.001 0.000 0.259 85 N C -1.421 174.250 175.510 0.268 0.000 1.402 85 N CA -0.878 52.275 53.050 0.173 0.000 0.829 85 N CB 2.026 40.610 38.487 0.162 0.000 1.495 85 N HN 0.247 nan 8.380 nan 0.000 0.511 86 V N 0.103 120.203 119.914 0.310 0.000 2.656 86 V HA 0.458 4.579 4.120 0.001 0.000 0.307 86 V C -0.995 175.309 176.094 0.350 0.000 1.051 86 V CA -0.535 61.974 62.300 0.347 0.000 0.893 86 V CB 1.516 33.523 31.823 0.306 0.000 0.999 86 V HN 0.683 nan 8.190 nan 0.000 0.426 87 Q N 2.232 122.236 119.800 0.341 0.000 2.325 87 Q HA 0.647 4.987 4.340 0.001 0.000 0.270 87 Q C 0.017 176.125 176.000 0.181 0.000 1.020 87 Q CA -0.442 55.523 55.803 0.271 0.000 0.785 87 Q CB 2.393 31.241 28.738 0.184 0.000 1.259 87 Q HN 0.933 nan 8.270 nan 0.000 0.452 88 G N 2.392 111.219 108.800 0.044 0.000 2.384 88 G HA2 0.481 4.442 3.960 0.001 0.000 0.316 88 G HA3 0.481 4.442 3.960 0.001 0.000 0.316 88 G C -0.753 174.027 174.900 -0.200 0.000 1.160 88 G CA -0.547 44.360 45.100 -0.322 0.000 0.936 88 G HN 0.265 nan 8.290 nan 0.000 0.455 89 K N 2.176 122.469 120.400 -0.178 0.000 2.156 89 K HA 0.350 4.671 4.320 0.001 0.000 0.271 89 K C 0.621 177.155 176.600 -0.109 0.000 0.995 89 K CA -0.764 55.462 56.287 -0.102 0.000 0.890 89 K CB 0.890 33.354 32.500 -0.060 0.000 1.073 89 K HN 0.450 nan 8.250 nan 0.000 0.454 90 N N 1.937 120.582 118.700 -0.093 0.000 2.735 90 N HA -0.196 4.544 4.740 0.001 0.000 0.248 90 N C -0.159 175.305 175.510 -0.078 0.000 1.083 90 N CA 0.526 53.529 53.050 -0.080 0.000 0.703 90 N CB -0.886 37.573 38.487 -0.048 0.000 1.005 90 N HN 0.535 nan 8.380 nan 0.000 0.550 91 L N -0.820 120.335 121.223 -0.114 0.000 2.416 91 L HA 0.157 4.497 4.340 0.001 0.000 0.216 91 L C 0.782 177.597 176.870 -0.091 0.000 1.098 91 L CA 0.533 55.319 54.840 -0.090 0.000 0.840 91 L CB 0.081 42.062 42.059 -0.129 0.000 0.981 91 L HN 0.093 nan 8.230 nan 0.000 0.462 92 I N 0.788 121.254 120.570 -0.174 0.000 2.287 92 I HA 0.095 4.265 4.170 0.001 0.000 0.290 92 I C 1.010 176.947 176.117 -0.300 0.000 1.069 92 I CA -0.018 61.094 61.300 -0.314 0.000 1.237 92 I CB 0.818 38.482 38.000 -0.560 0.000 1.418 92 I HN 0.058 nan 8.210 nan 0.000 0.481 93 E N 5.995 126.124 120.200 -0.119 0.000 2.086 93 E HA -0.212 4.138 4.350 0.001 0.000 0.200 93 E C 1.690 178.310 176.600 0.032 0.000 1.012 93 E CA 2.011 58.415 56.400 0.006 0.000 0.812 93 E CB -0.060 29.718 29.700 0.130 0.000 0.743 93 E HN 0.783 nan 8.360 nan 0.000 0.453 94 W N -0.229 121.077 121.300 0.009 0.000 3.077 94 W HA 0.163 4.823 4.660 0.001 0.000 0.245 94 W C -0.133 176.389 176.519 0.006 0.000 1.316 94 W CA 0.246 57.596 57.345 0.008 0.000 1.537 94 W CB -0.389 29.076 29.460 0.009 0.000 1.131 94 W HN -0.050 nan 8.180 nan 0.000 0.695 95 L N 3.530 124.545 121.223 -0.347 0.000 2.678 95 L HA 0.289 4.630 4.340 0.001 0.000 0.250 95 L C -2.097 174.655 176.870 -0.197 0.000 1.455 95 L CA -1.708 52.955 54.840 -0.294 0.000 0.823 95 L CB 0.607 42.350 42.059 -0.526 0.000 1.107 95 L HN -0.445 nan 8.230 nan 0.000 0.514 96 P HA 0.017 nan 4.420 nan 0.000 0.265 96 P C 0.951 178.207 177.300 -0.073 0.000 1.193 96 P CA 1.229 64.286 63.100 -0.072 0.000 0.765 96 P CB 1.335 33.018 31.700 -0.029 0.000 0.823 97 G N 2.141 110.898 108.800 -0.071 0.000 2.253 97 G HA2 -0.264 3.696 3.960 0.001 0.000 0.251 97 G HA3 -0.264 3.696 3.960 0.001 0.000 0.251 97 G C 0.357 175.214 174.900 -0.072 0.000 0.998 97 G CA 0.368 45.429 45.100 -0.066 0.000 0.621 97 G HN 0.901 nan 8.290 nan 0.000 0.524 98 S N -0.005 115.641 115.700 -0.090 0.000 2.585 98 S HA 0.633 5.103 4.470 0.001 0.000 0.273 98 S C -0.010 174.552 174.600 -0.062 0.000 1.339 98 S CA 0.718 58.871 58.200 -0.078 0.000 1.028 98 S CB 1.883 65.014 63.200 -0.114 0.000 0.906 98 S HN 0.646 nan 8.310 nan 0.000 0.528 99 T N 2.745 117.293 114.554 -0.010 0.000 2.792 99 T HA 0.532 4.883 4.350 0.001 0.000 0.280 99 T C 0.059 174.830 174.700 0.120 0.000 0.990 99 T CA -0.651 61.468 62.100 0.032 0.000 0.960 99 T CB 0.498 69.394 68.868 0.047 0.000 0.939 99 T HN 0.730 nan 8.240 nan 0.000 0.439 100 I N 1.131 121.751 120.570 0.084 0.000 2.437 100 I HA 0.883 5.054 4.170 0.001 0.000 0.298 100 I C -0.742 175.504 176.117 0.214 0.000 0.984 100 I CA -0.887 60.461 61.300 0.079 0.000 1.214 100 I CB 1.471 39.454 38.000 -0.028 0.000 1.365 100 I HN 0.711 nan 8.210 nan 0.000 0.469 101 W N 3.998 125.297 121.300 -0.003 0.000 3.118 101 W HA 0.869 5.529 4.660 0.001 0.000 0.328 101 W C -1.929 174.592 176.519 0.003 0.000 1.239 101 W CA -1.487 55.870 57.345 0.021 0.000 1.176 101 W CB 1.152 30.629 29.460 0.028 0.000 1.433 101 W HN 0.854 nan 8.180 nan 0.000 0.562 102 A N 1.428 124.355 122.820 0.179 0.000 2.547 102 A HA 0.906 5.226 4.320 0.001 0.000 0.297 102 A C -0.203 177.502 177.584 0.202 0.000 1.056 102 A CA 0.031 52.061 52.037 -0.012 0.000 0.688 102 A CB 1.116 20.075 19.000 -0.069 0.000 1.282 102 A HN 2.356 nan 8.150 nan 0.000 0.400 103 G N 0.645 109.543 108.800 0.162 0.000 2.343 103 G HA2 0.219 4.179 3.960 0.001 0.000 0.465 103 G HA3 0.219 4.179 3.960 0.001 0.000 0.465 103 G C -1.150 173.857 174.900 0.179 0.000 1.282 103 G CA -0.888 44.308 45.100 0.161 0.000 0.996 103 G HN 0.785 nan 8.290 nan 0.000 0.521 104 K N 0.357 120.800 120.400 0.071 0.000 2.322 104 K HA 0.529 4.849 4.320 0.001 0.000 0.283 104 K C 0.384 176.959 176.600 -0.042 0.000 1.042 104 K CA -0.073 56.218 56.287 0.008 0.000 0.958 104 K CB 1.317 33.762 32.500 -0.092 0.000 0.984 104 K HN 0.689 nan 8.250 nan 0.000 0.473 105 R N 2.896 123.389 120.500 -0.012 0.000 2.604 105 R HA 0.209 4.550 4.340 0.001 0.000 0.270 105 R C -1.387 174.914 176.300 0.001 0.000 1.052 105 R CA -0.686 55.338 56.100 -0.127 0.000 0.902 105 R CB 0.813 30.961 30.300 -0.254 0.000 1.233 105 R HN 0.281 nan 8.270 nan 0.000 0.455 106 F N 4.122 123.946 119.950 -0.211 0.000 2.468 106 F HA 0.159 4.686 4.527 0.001 0.000 0.356 106 F C -0.144 175.517 175.800 -0.233 0.000 1.167 106 F CA -0.395 57.479 58.000 -0.209 0.000 1.135 106 F CB -0.111 38.752 39.000 -0.228 0.000 1.197 106 F HN 0.352 nan 8.300 nan 0.000 0.569 107 Y N 3.998 124.199 120.300 -0.165 0.000 2.367 107 Y HA 0.218 4.769 4.550 0.001 0.000 0.342 107 Y C 0.685 176.415 175.900 -0.285 0.000 0.979 107 Y CA -0.923 56.998 58.100 -0.299 0.000 1.161 107 Y CB 0.382 38.690 38.460 -0.254 0.000 1.155 107 Y HN 0.649 nan 8.280 nan 0.000 0.503 108 Q N 4.254 123.564 119.800 -0.816 0.000 2.402 108 Q HA -0.313 4.028 4.340 0.001 0.000 0.356 108 Q C -0.406 175.336 176.000 -0.430 0.000 1.344 108 Q CA 0.735 56.107 55.803 -0.719 0.000 1.062 108 Q CB -0.911 27.226 28.738 -1.001 0.000 1.268 108 Q HN 0.710 nan 8.270 nan 0.000 0.383 109 R N 0.924 121.244 120.500 -0.301 0.000 2.543 109 R HA 0.275 4.615 4.340 0.001 0.000 0.277 109 R C -0.026 176.175 176.300 -0.165 0.000 1.074 109 R CA -0.011 55.994 56.100 -0.158 0.000 1.076 109 R CB 0.623 30.876 30.300 -0.079 0.000 0.993 109 R HN 0.287 nan 8.270 nan 0.000 0.459 110 H N 1.902 120.738 119.070 -0.390 0.000 2.547 110 H HA 0.202 4.759 4.556 0.001 0.000 0.342 110 H C -0.648 174.122 175.328 -0.931 0.000 1.048 110 H CA -0.793 54.893 56.048 -0.604 0.000 1.204 110 H CB 1.835 31.198 29.762 -0.665 0.000 1.493 110 H HN 0.731 nan 8.280 nan 0.000 0.511 111 D N 1.476 121.491 120.400 -0.641 0.000 2.626 111 D HA 0.220 4.861 4.640 0.001 0.000 0.278 111 D C -1.047 175.136 176.300 -0.194 0.000 1.211 111 D CA -0.732 52.883 54.000 -0.641 0.000 0.903 111 D CB 1.980 41.987 40.800 -1.321 0.000 1.408 111 D HN 0.179 nan 8.370 nan 0.000 0.454 112 V N 1.643 121.480 119.914 -0.128 0.000 2.326 112 V HA 0.091 4.212 4.120 0.001 0.000 0.281 112 V C 1.193 177.291 176.094 0.006 0.000 1.015 112 V CA -0.504 61.743 62.300 -0.088 0.000 0.823 112 V CB 0.490 32.223 31.823 -0.151 0.000 1.009 112 V HN 0.768 nan 8.190 nan 0.000 0.436 113 H N 5.738 124.857 119.070 0.081 0.000 2.289 113 H HA -0.267 4.289 4.556 0.001 0.000 0.294 113 H C 2.093 177.475 175.328 0.089 0.000 1.095 113 H CA 3.075 59.195 56.048 0.120 0.000 1.256 113 H CB 0.145 30.102 29.762 0.325 0.000 1.359 113 H HN 0.686 nan 8.280 nan 0.000 0.487 114 M N 0.087 119.667 119.600 -0.033 0.000 2.358 114 M HA -0.046 4.434 4.480 0.001 0.000 0.264 114 M C 1.460 177.676 176.300 -0.139 0.000 1.064 114 M CA 2.116 57.376 55.300 -0.066 0.000 1.093 114 M CB -0.295 32.377 32.600 0.120 0.000 1.401 114 M HN 0.490 nan 8.290 nan 0.000 0.440 115 I N -3.188 117.277 120.570 -0.175 0.000 4.025 115 I HA 0.341 4.511 4.170 0.001 0.000 0.336 115 I C -0.183 175.878 176.117 -0.093 0.000 1.390 115 I CA -0.370 60.784 61.300 -0.244 0.000 1.099 115 I CB -0.189 37.588 38.000 -0.373 0.000 1.049 115 I HN 0.066 nan 8.210 nan 0.000 0.394 116 D N 2.329 122.659 120.400 -0.117 0.000 2.686 116 D HA -0.295 4.345 4.640 0.001 0.000 0.235 116 D C -0.793 175.539 176.300 0.053 0.000 1.160 116 D CA 0.827 54.777 54.000 -0.083 0.000 0.645 116 D CB -1.062 39.688 40.800 -0.083 0.000 1.039 116 D HN 0.530 nan 8.370 nan 0.000 0.423 117 F N 1.444 121.313 119.950 -0.135 0.000 2.449 117 F HA 0.478 5.006 4.527 0.001 0.000 0.342 117 F C -0.948 174.785 175.800 -0.111 0.000 1.127 117 F CA -0.916 57.062 58.000 -0.036 0.000 0.975 117 F CB 0.783 39.781 39.000 -0.003 0.000 1.146 117 F HN -0.135 nan 8.300 nan 0.000 0.444 118 Y N 6.275 126.201 120.300 -0.623 0.000 2.326 118 Y HA 0.205 4.755 4.550 0.001 0.000 0.337 118 Y C 0.200 175.669 175.900 -0.717 0.000 1.023 118 Y CA -0.268 57.502 58.100 -0.549 0.000 1.143 118 Y CB 0.717 38.911 38.460 -0.445 0.000 1.183 118 Y HN 0.649 nan 8.280 nan 0.000 0.485 119 Y N -0.678 119.449 120.300 -0.289 0.000 2.481 119 Y HA 0.337 4.888 4.550 0.001 0.000 0.247 119 Y C -0.496 175.426 175.900 0.036 0.000 1.151 119 Y CA -1.016 56.980 58.100 -0.173 0.000 1.238 119 Y CB 0.537 39.009 38.460 0.020 0.000 1.179 119 Y HN 0.476 nan 8.280 nan 0.000 0.524 120 W N 2.850 123.952 121.300 -0.330 0.000 2.680 120 W HA 0.456 5.116 4.660 0.001 0.000 0.305 120 W C -2.088 174.317 176.519 -0.189 0.000 1.033 120 W CA -1.641 55.556 57.345 -0.246 0.000 1.242 120 W CB 1.265 30.478 29.460 -0.411 0.000 1.138 120 W HN 0.096 nan 8.180 nan 0.000 0.358 121 D N 5.126 125.575 120.400 0.082 0.000 2.323 121 D HA 0.217 4.858 4.640 0.001 0.000 0.242 121 D C 0.190 176.452 176.300 -0.063 0.000 1.347 121 D CA -0.210 53.747 54.000 -0.071 0.000 0.988 121 D CB 0.329 41.034 40.800 -0.158 0.000 1.314 121 D HN 0.350 nan 8.370 nan 0.000 0.564 122 I N 0.011 120.555 120.570 -0.043 0.000 3.889 122 I HA 0.381 4.551 4.170 0.001 0.000 0.332 122 I C 0.002 176.103 176.117 -0.026 0.000 1.493 122 I CA -0.544 60.739 61.300 -0.028 0.000 1.158 122 I CB 0.287 38.289 38.000 0.002 0.000 1.117 122 I HN -0.044 nan 8.210 nan 0.000 0.411 123 S N 1.905 117.580 115.700 -0.042 0.000 2.559 123 S HA 0.561 5.032 4.470 0.001 0.000 0.282 123 S C 0.621 175.225 174.600 0.007 0.000 1.336 123 S CA 0.479 58.686 58.200 0.011 0.000 1.037 123 S CB 0.791 63.984 63.200 -0.011 0.000 0.853 123 S HN 0.876 nan 8.310 nan 0.000 0.523 124 G N 1.485 110.314 108.800 0.048 0.000 2.339 124 G HA2 0.248 4.209 3.960 0.001 0.000 0.275 124 G HA3 0.248 4.209 3.960 0.001 0.000 0.275 124 G C -3.648 171.272 174.900 0.033 0.000 1.323 124 G CA -1.126 43.983 45.100 0.016 0.000 0.927 124 G HN 0.482 nan 8.290 nan 0.000 0.486 125 P HA 0.523 nan 4.420 nan 0.000 0.271 125 P C 0.473 177.771 177.300 -0.003 0.000 1.216 125 P CA 1.133 64.239 63.100 0.010 0.000 0.771 125 P CB 1.350 33.037 31.700 -0.023 0.000 0.864 126 G N 0.619 109.427 108.800 0.013 0.000 2.490 126 G HA2 0.699 4.659 3.960 0.001 0.000 0.308 126 G HA3 0.699 4.659 3.960 0.001 0.000 0.308 126 G C -2.112 172.519 174.900 -0.448 0.000 1.286 126 G CA -0.082 44.934 45.100 -0.140 0.000 0.825 126 G HN 0.581 nan 8.290 nan 0.000 0.479 127 A N -1.986 120.304 122.820 -0.883 0.000 2.599 127 A HA 1.077 5.398 4.320 0.001 0.000 0.294 127 A C -0.185 176.611 177.584 -1.313 0.000 1.055 127 A CA 0.498 51.762 52.037 -1.289 0.000 0.683 127 A CB 1.364 19.993 19.000 -0.618 0.000 1.278 127 A HN 2.609 nan 8.150 nan 0.000 0.412 128 G N -0.820 107.092 108.800 -1.481 0.000 2.342 128 G HA2 0.596 4.557 3.960 0.001 0.000 0.297 128 G HA3 0.596 4.557 3.960 0.001 0.000 0.297 128 G C -1.909 172.745 174.900 -0.411 0.000 1.313 128 G CA 0.100 44.780 45.100 -0.700 0.000 0.830 128 G HN 1.745 nan 8.290 nan 0.000 0.506 129 I N 0.738 121.278 120.570 -0.050 0.000 2.478 129 I HA 0.607 4.777 4.170 0.001 0.000 0.287 129 I C -0.342 175.869 176.117 0.157 0.000 1.042 129 I CA -0.756 60.578 61.300 0.056 0.000 1.067 129 I CB 1.581 39.560 38.000 -0.034 0.000 1.233 129 I HN 0.789 nan 8.210 nan 0.000 0.431 130 E N 5.710 126.037 120.200 0.213 0.000 2.281 130 E HA 0.482 4.832 4.350 0.001 0.000 0.262 130 E C -0.636 175.996 176.600 0.054 0.000 0.933 130 E CA -0.913 55.587 56.400 0.166 0.000 0.809 130 E CB 0.949 30.779 29.700 0.216 0.000 1.242 130 E HN 0.580 nan 8.360 nan 0.000 0.418 131 N N 0.284 118.994 118.700 0.017 0.000 2.738 131 N HA -0.161 4.580 4.740 0.001 0.000 0.249 131 N C -0.966 174.519 175.510 -0.043 0.000 1.047 131 N CA 0.698 53.731 53.050 -0.028 0.000 0.707 131 N CB -1.471 36.987 38.487 -0.048 0.000 0.937 131 N HN 0.575 nan 8.380 nan 0.000 0.545 132 I N 0.410 120.958 120.570 -0.037 0.000 2.396 132 I HA 0.031 4.201 4.170 0.001 0.000 0.289 132 I C 0.813 176.886 176.117 -0.073 0.000 1.056 132 I CA -0.311 60.956 61.300 -0.055 0.000 1.365 132 I CB 0.593 38.571 38.000 -0.037 0.000 1.407 132 I HN -0.033 nan 8.210 nan 0.000 0.509 133 D N 7.136 127.488 120.400 -0.080 0.000 2.339 133 D HA 0.165 4.805 4.640 0.001 0.000 0.256 133 D C 0.492 176.711 176.300 -0.136 0.000 1.214 133 D CA 0.154 54.092 54.000 -0.103 0.000 0.877 133 D CB 0.982 41.737 40.800 -0.074 0.000 1.111 133 D HN 0.408 nan 8.370 nan 0.000 0.478 134 L N 3.024 124.091 121.223 -0.260 0.000 2.667 134 L HA 0.270 4.610 4.340 0.001 0.000 0.232 134 L C 1.826 178.438 176.870 -0.429 0.000 1.138 134 L CA 0.186 54.785 54.840 -0.401 0.000 0.921 134 L CB -0.119 41.492 42.059 -0.746 0.000 1.180 134 L HN 0.752 nan 8.230 nan 0.000 0.487 135 G N 1.862 110.517 108.800 -0.242 0.000 3.909 135 G HA2 -0.428 3.532 3.960 0.001 0.000 0.218 135 G HA3 -0.428 3.532 3.960 0.001 0.000 0.218 135 G C 0.646 175.517 174.900 -0.050 0.000 1.404 135 G CA 0.682 45.734 45.100 -0.080 0.000 0.905 135 G HN 0.378 nan 8.290 nan 0.000 0.589 136 F N 1.786 121.756 119.950 0.033 0.000 2.797 136 F HA 0.596 5.124 4.527 0.001 0.000 0.302 136 F C 1.030 176.854 175.800 0.039 0.000 1.130 136 F CA 0.295 58.316 58.000 0.035 0.000 1.387 136 F CB -0.026 38.997 39.000 0.039 0.000 1.107 136 F HN 0.979 nan 8.300 nan 0.000 0.577 137 G N 0.110 108.683 108.800 -0.378 0.000 2.349 137 G HA2 0.392 4.352 3.960 0.001 0.000 0.294 137 G HA3 0.392 4.352 3.960 0.001 0.000 0.294 137 G C -1.934 172.822 174.900 -0.240 0.000 1.380 137 G CA -1.294 43.688 45.100 -0.197 0.000 0.811 137 G HN -0.075 nan 8.290 nan 0.000 0.519 138 K N 0.063 120.395 120.400 -0.112 0.000 2.244 138 K HA 0.649 4.970 4.320 0.001 0.000 0.260 138 K C -1.038 175.539 176.600 -0.039 0.000 0.951 138 K CA -0.777 55.458 56.287 -0.087 0.000 0.826 138 K CB 2.236 34.701 32.500 -0.059 0.000 1.108 138 K HN 0.433 nan 8.250 nan 0.000 0.433 139 L N 1.122 122.325 121.223 -0.033 0.000 2.317 139 L HA 0.460 4.801 4.340 0.001 0.000 0.281 139 L C -0.723 176.177 176.870 0.050 0.000 1.024 139 L CA 0.199 55.053 54.840 0.024 0.000 0.810 139 L CB 1.691 43.763 42.059 0.021 0.000 1.240 139 L HN 0.511 nan 8.230 nan 0.000 0.427 140 S N 5.264 121.022 115.700 0.097 0.000 2.571 140 S HA 0.740 5.210 4.470 0.001 0.000 0.284 140 S C -1.044 173.655 174.600 0.166 0.000 1.128 140 S CA -0.551 57.735 58.200 0.143 0.000 0.970 140 S CB 1.362 64.671 63.200 0.182 0.000 1.039 140 S HN 0.522 nan 8.310 nan 0.000 0.485 141 L N 2.309 123.618 121.223 0.142 0.000 2.365 141 L HA 0.973 5.313 4.340 0.001 0.000 0.273 141 L C -0.198 176.698 176.870 0.043 0.000 1.000 141 L CA -0.666 54.236 54.840 0.103 0.000 0.819 141 L CB 1.809 43.910 42.059 0.070 0.000 1.284 141 L HN 0.776 nan 8.230 nan 0.000 0.418 142 A N 2.226 125.040 122.820 -0.009 0.000 2.612 142 A HA 0.937 5.257 4.320 0.001 0.000 0.293 142 A C -1.610 175.893 177.584 -0.136 0.000 1.075 142 A CA -0.410 51.528 52.037 -0.166 0.000 0.680 142 A CB 1.968 20.730 19.000 -0.398 0.000 1.279 142 A HN 0.774 nan 8.150 nan 0.000 0.411 143 A N 0.869 123.554 122.820 -0.225 0.000 2.353 143 A HA 0.858 5.178 4.320 0.001 0.000 0.299 143 A C -0.134 177.280 177.584 -0.284 0.000 1.089 143 A CA 0.203 52.090 52.037 -0.251 0.000 0.736 143 A CB 0.866 19.778 19.000 -0.146 0.000 1.195 143 A HN 2.069 nan 8.150 nan 0.000 0.447 144 T N -0.386 113.994 114.554 -0.291 0.000 2.907 144 T HA 0.837 5.187 4.350 0.001 0.000 0.290 144 T C -0.280 174.277 174.700 -0.239 0.000 1.066 144 T CA -0.841 61.138 62.100 -0.202 0.000 1.012 144 T CB 1.727 70.527 68.868 -0.114 0.000 1.184 144 T HN 0.855 nan 8.240 nan 0.000 0.522 145 R N -0.015 120.384 120.500 -0.168 0.000 2.807 145 R HA 0.727 5.068 4.340 0.001 0.000 0.276 145 R C -0.974 175.248 176.300 -0.130 0.000 0.979 145 R CA -0.484 55.516 56.100 -0.167 0.000 0.928 145 R CB 1.877 32.093 30.300 -0.141 0.000 1.191 145 R HN 1.071 nan 8.270 nan 0.000 0.471 146 S N 0.624 116.241 115.700 -0.137 0.000 2.618 146 S HA 0.668 5.139 4.470 0.001 0.000 0.277 146 S C -1.232 173.298 174.600 -0.117 0.000 1.138 146 S CA -0.690 57.440 58.200 -0.116 0.000 0.844 146 S CB 2.227 65.356 63.200 -0.118 0.000 1.127 146 S HN 0.517 nan 8.310 nan 0.000 0.474 147 T N 1.510 116.001 114.554 -0.104 0.000 2.971 147 T HA 0.494 4.844 4.350 0.001 0.000 0.304 147 T C -1.215 173.424 174.700 -0.102 0.000 1.038 147 T CA -0.629 61.406 62.100 -0.108 0.000 1.007 147 T CB 1.607 70.413 68.868 -0.102 0.000 1.055 147 T HN 0.713 nan 8.240 nan 0.000 0.451 148 E N 1.173 121.307 120.200 -0.111 0.000 2.248 148 E HA 0.649 5.000 4.350 0.001 0.000 0.272 148 E C -0.308 176.226 176.600 -0.111 0.000 1.008 148 E CA -0.970 55.368 56.400 -0.103 0.000 0.856 148 E CB 1.413 31.051 29.700 -0.104 0.000 1.120 148 E HN 0.706 nan 8.360 nan 0.000 0.397 149 A N 2.038 124.801 122.820 -0.095 0.000 2.409 149 A HA 0.543 4.863 4.320 0.001 0.000 0.267 149 A C 0.755 178.268 177.584 -0.118 0.000 1.127 149 A CA 0.567 52.547 52.037 -0.095 0.000 0.795 149 A CB -0.367 18.594 19.000 -0.065 0.000 1.061 149 A HN 0.755 nan 8.150 nan 0.000 0.502 150 G N 1.941 110.644 108.800 -0.162 0.000 2.569 150 G HA2 0.245 4.205 3.960 0.001 0.000 0.259 150 G HA3 0.245 4.205 3.960 0.001 0.000 0.259 150 G C 1.386 176.089 174.900 -0.328 0.000 1.263 150 G CA 1.027 45.978 45.100 -0.248 0.000 0.928 150 G HN 2.744 nan 8.290 nan 0.000 0.572 151 G N -2.749 105.766 108.800 -0.476 0.000 2.241 151 G HA2 0.017 3.977 3.960 0.001 0.000 0.244 151 G HA3 0.017 3.977 3.960 0.001 0.000 0.244 151 G C 0.504 175.032 174.900 -0.619 0.000 0.998 151 G CA 1.205 46.060 45.100 -0.408 0.000 0.621 151 G HN 2.061 nan 8.290 nan 0.000 0.519 152 S N 0.348 115.575 115.700 -0.788 0.000 2.478 152 S HA 0.771 5.242 4.470 0.001 0.000 0.312 152 S C -0.958 173.238 174.600 -0.673 0.000 1.094 152 S CA -0.505 57.380 58.200 -0.526 0.000 1.081 152 S CB 1.161 64.166 63.200 -0.325 0.000 1.007 152 S HN 0.402 nan 8.310 nan 0.000 0.475 153 Y N 0.244 120.384 120.300 -0.266 0.000 2.536 153 Y HA 0.455 5.005 4.550 0.001 0.000 0.347 153 Y C 0.617 176.109 175.900 -0.680 0.000 1.000 153 Y CA -1.282 56.435 58.100 -0.638 0.000 1.051 153 Y CB 1.315 38.934 38.460 -1.402 0.000 1.259 153 Y HN 0.516 nan 8.280 nan 0.000 0.468 154 T N -0.005 114.267 114.554 -0.470 0.000 3.005 154 T HA 0.422 4.772 4.350 0.001 0.000 0.323 154 T C -0.746 173.838 174.700 -0.192 0.000 1.131 154 T CA -0.580 61.247 62.100 -0.454 0.000 0.977 154 T CB -0.981 67.576 68.868 -0.519 0.000 1.055 154 T HN 0.203 nan 8.240 nan 0.000 0.562 155 F N 2.797 122.766 119.950 0.031 0.000 2.504 155 F HA 0.261 4.789 4.527 0.001 0.000 0.369 155 F C 1.851 177.648 175.800 -0.005 0.000 1.082 155 F CA -0.679 57.349 58.000 0.046 0.000 1.216 155 F CB 0.812 39.837 39.000 0.041 0.000 1.108 155 F HN 0.680 nan 8.300 nan 0.000 0.554 156 S N 0.482 116.291 115.700 0.182 0.000 2.371 156 S HA 0.069 4.540 4.470 0.001 0.000 0.219 156 S C 0.700 175.333 174.600 0.056 0.000 1.040 156 S CA 0.278 58.518 58.200 0.066 0.000 0.958 156 S CB -0.006 63.196 63.200 0.003 0.000 0.860 156 S HN 0.436 nan 8.310 nan 0.000 0.487 157 S N 0.802 116.532 115.700 0.050 0.000 2.779 157 S HA 0.468 4.938 4.470 0.001 0.000 0.293 157 S C -0.109 174.486 174.600 -0.009 0.000 1.150 157 S CA -0.597 57.610 58.200 0.013 0.000 1.057 157 S CB 0.431 63.627 63.200 -0.007 0.000 1.021 157 S HN 0.429 nan 8.310 nan 0.000 0.485 158 Q N 2.735 122.501 119.800 -0.055 0.000 2.242 158 Q HA -0.266 4.074 4.340 0.001 0.000 0.398 158 Q C 0.356 176.129 176.000 -0.378 0.000 0.872 158 Q CA 2.435 58.142 55.803 -0.160 0.000 0.979 158 Q CB -1.415 27.268 28.738 -0.093 0.000 2.023 158 Q HN 0.963 nan 8.270 nan 0.000 0.895 159 N N 1.272 119.830 118.700 -0.237 0.000 2.234 159 N HA 0.268 5.008 4.740 0.001 0.000 0.227 159 N C 0.041 175.638 175.510 0.143 0.000 1.151 159 N CA 0.062 52.959 53.050 -0.255 0.000 0.865 159 N CB 0.534 38.942 38.487 -0.131 0.000 1.066 159 N HN 0.367 nan 8.380 nan 0.000 0.515 160 I N 1.783 122.420 120.570 0.112 0.000 2.359 160 I HA 0.310 4.481 4.170 0.001 0.000 0.294 160 I C -0.668 175.538 176.117 0.147 0.000 0.987 160 I CA -1.228 60.021 61.300 -0.084 0.000 1.225 160 I CB 0.798 38.650 38.000 -0.246 0.000 1.366 160 I HN 0.060 nan 8.210 nan 0.000 0.466 161 Y N 3.091 123.371 120.300 -0.034 0.000 2.602 161 Y HA 0.547 5.097 4.550 0.001 0.000 0.342 161 Y C -0.162 175.671 175.900 -0.112 0.000 1.029 161 Y CA -1.123 56.935 58.100 -0.069 0.000 1.080 161 Y CB 0.805 39.125 38.460 -0.233 0.000 1.284 161 Y HN 0.415 nan 8.280 nan 0.000 0.485 162 D N 0.768 121.205 120.400 0.062 0.000 2.290 162 D HA 0.069 4.709 4.640 0.001 0.000 0.224 162 D C -0.509 175.873 176.300 0.136 0.000 0.967 162 D CA 1.026 55.022 54.000 -0.006 0.000 0.893 162 D CB 0.377 41.155 40.800 -0.036 0.000 1.037 162 D HN 0.748 nan 8.370 nan 0.000 0.477 163 E N 0.080 120.396 120.200 0.194 0.000 2.312 163 E HA 0.505 4.855 4.350 0.001 0.000 0.267 163 E C -0.879 175.836 176.600 0.191 0.000 0.894 163 E CA -0.731 55.794 56.400 0.208 0.000 0.773 163 E CB 3.192 32.962 29.700 0.117 0.000 1.241 163 E HN -0.220 nan 8.360 nan 0.000 0.432 164 V N 0.837 120.831 119.914 0.133 0.000 2.994 164 V HA 0.638 4.759 4.120 0.001 0.000 0.318 164 V C -0.217 175.835 176.094 -0.070 0.000 1.085 164 V CA -0.845 61.382 62.300 -0.122 0.000 0.998 164 V CB 1.737 33.469 31.823 -0.153 0.000 1.063 164 V HN 0.568 nan 8.190 nan 0.000 0.447 165 K N 0.068 120.306 120.400 -0.269 0.000 2.575 165 K HA 0.386 4.707 4.320 0.001 0.000 0.279 165 K C -1.779 174.616 176.600 -0.341 0.000 0.969 165 K CA -0.803 55.283 56.287 -0.335 0.000 0.868 165 K CB 2.339 34.425 32.500 -0.690 0.000 1.457 165 K HN 0.792 nan 8.250 nan 0.000 0.426 166 D N 1.239 121.476 120.400 -0.272 0.000 2.341 166 D HA 0.154 4.794 4.640 0.001 0.000 0.245 166 D C -0.653 175.501 176.300 -0.243 0.000 1.106 166 D CA 0.394 54.259 54.000 -0.225 0.000 0.905 166 D CB 1.339 42.039 40.800 -0.167 0.000 1.202 166 D HN 0.310 nan 8.370 nan 0.000 0.426 167 T N 0.941 115.371 114.554 -0.206 0.000 2.756 167 T HA 0.553 4.903 4.350 0.001 0.000 0.290 167 T C 0.125 174.734 174.700 -0.152 0.000 0.985 167 T CA -0.734 61.255 62.100 -0.186 0.000 0.955 167 T CB 1.235 70.001 68.868 -0.170 0.000 0.930 167 T HN 0.361 nan 8.240 nan 0.000 0.451 168 A N 4.354 127.086 122.820 -0.146 0.000 2.401 168 A HA 0.430 4.750 4.320 0.001 0.000 0.259 168 A C 0.324 177.828 177.584 -0.133 0.000 1.103 168 A CA -0.551 51.406 52.037 -0.133 0.000 0.789 168 A CB 0.126 19.053 19.000 -0.123 0.000 1.035 168 A HN 0.835 nan 8.150 nan 0.000 0.491 169 N N 2.419 121.030 118.700 -0.148 0.000 2.443 169 N HA 0.225 4.965 4.740 0.001 0.000 0.269 169 N C -1.590 173.783 175.510 -0.228 0.000 0.985 169 N CA -0.533 52.413 53.050 -0.174 0.000 0.921 169 N CB 1.650 40.035 38.487 -0.170 0.000 1.195 169 N HN 0.601 nan 8.380 nan 0.000 0.492 170 D N 1.279 121.515 120.400 -0.274 0.000 2.210 170 D HA 0.374 5.014 4.640 0.001 0.000 0.249 170 D C -0.183 175.716 176.300 -0.667 0.000 1.062 170 D CA -0.131 53.590 54.000 -0.464 0.000 0.891 170 D CB 2.354 42.885 40.800 -0.448 0.000 1.186 170 D HN 0.040 nan 8.370 nan 0.000 0.432 171 V N 2.170 121.601 119.914 -0.804 0.000 2.588 171 V HA 0.440 4.560 4.120 0.001 0.000 0.304 171 V C -0.818 174.770 176.094 -0.843 0.000 1.042 171 V CA -0.833 61.068 62.300 -0.665 0.000 0.877 171 V CB 1.370 32.987 31.823 -0.343 0.000 0.996 171 V HN 0.314 nan 8.190 nan 0.000 0.425 172 F N 2.551 122.447 119.950 -0.089 0.000 2.427 172 F HA 0.511 5.038 4.527 0.001 0.000 0.348 172 F C 0.112 175.921 175.800 0.015 0.000 1.125 172 F CA -0.579 57.404 58.000 -0.029 0.000 0.989 172 F CB 1.456 40.465 39.000 0.014 0.000 1.165 172 F HN 0.460 nan 8.300 nan 0.000 0.442 173 D N 3.252 123.741 120.400 0.148 0.000 2.375 173 D HA 0.592 5.232 4.640 0.001 0.000 0.247 173 D C -1.563 174.857 176.300 0.200 0.000 1.061 173 D CA -0.288 53.815 54.000 0.172 0.000 0.834 173 D CB 2.451 43.322 40.800 0.119 0.000 1.247 173 D HN 0.328 nan 8.370 nan 0.000 0.489 174 V N 4.211 124.275 119.914 0.249 0.000 2.577 174 V HA 0.536 4.656 4.120 0.001 0.000 0.303 174 V C -0.292 175.969 176.094 0.278 0.000 1.042 174 V CA -0.741 61.701 62.300 0.236 0.000 0.872 174 V CB 1.953 33.911 31.823 0.226 0.000 0.998 174 V HN 0.501 nan 8.190 nan 0.000 0.423 175 R N 3.347 123.990 120.500 0.239 0.000 2.686 175 R HA 0.758 5.099 4.340 0.001 0.000 0.283 175 R C -1.658 174.755 176.300 0.189 0.000 0.978 175 R CA -0.731 55.520 56.100 0.252 0.000 0.897 175 R CB 2.393 32.803 30.300 0.182 0.000 1.192 175 R HN 0.544 nan 8.270 nan 0.000 0.457 176 L N 2.195 123.542 121.223 0.205 0.000 2.372 176 L HA 0.778 5.118 4.340 0.001 0.000 0.273 176 L C -1.187 175.780 176.870 0.161 0.000 0.989 176 L CA -0.164 54.773 54.840 0.162 0.000 0.841 176 L CB 1.538 43.715 42.059 0.196 0.000 1.225 176 L HN 0.828 nan 8.230 nan 0.000 0.414 177 A N 2.956 125.838 122.820 0.104 0.000 2.346 177 A HA 0.793 5.114 4.320 0.001 0.000 0.313 177 A C 0.804 178.426 177.584 0.062 0.000 1.140 177 A CA -0.094 52.000 52.037 0.094 0.000 0.826 177 A CB 1.184 20.218 19.000 0.056 0.000 1.332 177 A HN 1.767 nan 8.150 nan 0.000 0.457 178 G N -0.829 108.006 108.800 0.058 0.000 2.147 178 G HA2 -0.152 3.808 3.960 0.001 0.000 0.244 178 G HA3 -0.152 3.808 3.960 0.001 0.000 0.244 178 G C -0.087 174.863 174.900 0.084 0.000 1.005 178 G CA 0.301 45.426 45.100 0.043 0.000 0.713 178 G HN 0.851 nan 8.290 nan 0.000 0.515 179 L N 0.891 122.189 121.223 0.126 0.000 2.385 179 L HA 0.255 4.596 4.340 0.001 0.000 0.281 179 L C 0.728 177.677 176.870 0.130 0.000 1.106 179 L CA -0.442 54.496 54.840 0.163 0.000 0.856 179 L CB 0.839 43.011 42.059 0.189 0.000 1.186 179 L HN 0.093 nan 8.230 nan 0.000 0.453 180 Q N 2.687 122.557 119.800 0.117 0.000 2.348 180 Q HA 0.048 4.388 4.340 0.001 0.000 0.251 180 Q C 1.158 177.222 176.000 0.107 0.000 1.113 180 Q CA 0.101 55.962 55.803 0.097 0.000 0.902 180 Q CB 1.106 29.891 28.738 0.080 0.000 1.333 180 Q HN 0.765 nan 8.270 nan 0.000 0.457 181 T N -0.992 113.643 114.554 0.135 0.000 3.044 181 T HA 0.044 4.394 4.350 0.001 0.000 0.255 181 T C 0.679 175.444 174.700 0.108 0.000 1.073 181 T CA 0.195 62.374 62.100 0.132 0.000 1.125 181 T CB 0.298 69.277 68.868 0.185 0.000 0.908 181 T HN 0.578 nan 8.240 nan 0.000 0.480 182 N N 0.230 119.006 118.700 0.126 0.000 3.046 182 N HA 0.261 5.002 4.740 0.001 0.000 0.243 182 N C -3.661 171.904 175.510 0.091 0.000 1.452 182 N CA -1.682 51.425 53.050 0.095 0.000 0.882 182 N CB 0.784 39.328 38.487 0.096 0.000 1.425 182 N HN -0.106 nan 8.380 nan 0.000 0.517 183 P HA 0.111 nan 4.420 nan 0.000 0.260 183 P C -0.551 176.788 177.300 0.065 0.000 1.185 183 P CA 0.768 63.902 63.100 0.056 0.000 0.763 183 P CB -0.002 31.724 31.700 0.044 0.000 0.776 184 D N 0.522 120.953 120.400 0.053 0.000 3.076 184 D HA -0.134 4.506 4.640 0.001 0.000 0.218 184 D C 0.637 176.964 176.300 0.045 0.000 1.156 184 D CA 1.801 55.829 54.000 0.046 0.000 0.921 184 D CB -1.571 39.260 40.800 0.052 0.000 1.113 184 D HN 0.640 nan 8.370 nan 0.000 0.418 185 G N -0.509 108.331 108.800 0.067 0.000 2.513 185 G HA2 0.619 4.579 3.960 0.001 0.000 0.317 185 G HA3 0.619 4.579 3.960 0.001 0.000 0.317 185 G C -0.556 174.345 174.900 0.002 0.000 1.277 185 G CA -0.369 44.762 45.100 0.051 0.000 0.955 185 G HN 0.108 nan 8.290 nan 0.000 0.484 186 V N 1.837 121.630 119.914 -0.201 0.000 2.962 186 V HA 0.672 4.792 4.120 0.001 0.000 0.313 186 V C -0.947 175.130 176.094 -0.029 0.000 1.099 186 V CA -0.843 61.425 62.300 -0.054 0.000 0.971 186 V CB 2.117 33.909 31.823 -0.050 0.000 1.028 186 V HN 0.761 nan 8.190 nan 0.000 0.430 187 L N 2.756 124.052 121.223 0.121 0.000 2.386 187 L HA 0.727 5.067 4.340 0.001 0.000 0.271 187 L C -0.617 176.358 176.870 0.175 0.000 0.993 187 L CA 0.045 55.001 54.840 0.194 0.000 0.819 187 L CB 1.942 44.150 42.059 0.249 0.000 1.294 187 L HN 0.848 nan 8.230 nan 0.000 0.414 188 E N 3.957 124.279 120.200 0.203 0.000 2.234 188 E HA 0.567 4.917 4.350 0.001 0.000 0.266 188 E C -1.925 174.825 176.600 0.250 0.000 0.877 188 E CA -0.728 55.811 56.400 0.232 0.000 0.758 188 E CB 1.469 31.337 29.700 0.281 0.000 1.170 188 E HN 0.509 nan 8.360 nan 0.000 0.415 189 L N 2.815 124.190 121.223 0.253 0.000 2.346 189 L HA 0.793 5.134 4.340 0.001 0.000 0.274 189 L C 0.143 177.205 176.870 0.319 0.000 1.007 189 L CA -0.471 54.510 54.840 0.234 0.000 0.818 189 L CB 1.729 43.911 42.059 0.206 0.000 1.284 189 L HN 0.703 nan 8.230 nan 0.000 0.424 190 G N 1.542 110.509 108.800 0.278 0.000 2.706 190 G HA2 0.658 4.618 3.960 0.001 0.000 0.297 190 G HA3 0.658 4.618 3.960 0.001 0.000 0.297 190 G C -2.009 173.062 174.900 0.285 0.000 1.403 190 G CA -0.381 44.969 45.100 0.416 0.000 0.954 190 G HN 0.305 nan 8.290 nan 0.000 0.500 191 V N 1.355 121.467 119.914 0.330 0.000 2.656 191 V HA 0.590 4.710 4.120 0.001 0.000 0.307 191 V C -1.237 174.994 176.094 0.229 0.000 1.051 191 V CA -0.878 61.577 62.300 0.258 0.000 0.893 191 V CB 2.254 34.303 31.823 0.376 0.000 0.999 191 V HN 0.732 nan 8.190 nan 0.000 0.426 192 D N 2.430 122.888 120.400 0.095 0.000 2.757 192 D HA 0.345 4.985 4.640 0.001 0.000 0.249 192 D C -1.737 174.517 176.300 -0.076 0.000 1.168 192 D CA -0.223 53.813 54.000 0.060 0.000 0.870 192 D CB 2.863 43.689 40.800 0.042 0.000 1.411 192 D HN 0.541 nan 8.370 nan 0.000 0.525 193 Y N 1.200 121.341 120.300 -0.266 0.000 2.331 193 Y HA 0.540 5.090 4.550 0.001 0.000 0.334 193 Y C -0.486 175.241 175.900 -0.289 0.000 0.960 193 Y CA -0.629 57.097 58.100 -0.623 0.000 1.130 193 Y CB 1.628 39.513 38.460 -0.957 0.000 1.164 193 Y HN 0.391 nan 8.280 nan 0.000 0.458 194 G N 6.044 114.216 108.800 -1.047 0.000 2.519 194 G HA2 0.748 4.709 3.960 0.001 0.000 0.307 194 G HA3 0.748 4.709 3.960 0.001 0.000 0.307 194 G C -1.765 172.644 174.900 -0.817 0.000 1.266 194 G CA -1.294 43.351 45.100 -0.758 0.000 0.970 194 G HN 0.870 nan 8.290 nan 0.000 0.481 195 R N -0.258 119.949 120.500 -0.488 0.000 2.663 195 R HA 0.709 5.049 4.340 0.001 0.000 0.267 195 R C -0.686 175.513 176.300 -0.168 0.000 1.038 195 R CA -0.888 55.030 56.100 -0.303 0.000 0.886 195 R CB 1.162 31.333 30.300 -0.215 0.000 1.249 195 R HN 0.876 nan 8.270 nan 0.000 0.463 196 A N 1.752 124.504 122.820 -0.114 0.000 2.440 196 A HA 0.257 4.578 4.320 0.001 0.000 0.251 196 A C -0.453 177.099 177.584 -0.053 0.000 1.089 196 A CA -0.286 51.699 52.037 -0.088 0.000 0.779 196 A CB 0.198 19.158 19.000 -0.066 0.000 1.022 196 A HN 0.688 nan 8.150 nan 0.000 0.492 197 N N 1.600 120.264 118.700 -0.059 0.000 2.623 197 N HA 0.284 5.024 4.740 0.001 0.000 0.256 197 N C -0.486 174.994 175.510 -0.050 0.000 1.045 197 N CA -0.124 52.907 53.050 -0.031 0.000 0.863 197 N CB 1.002 39.476 38.487 -0.022 0.000 1.182 197 N HN 0.693 nan 8.380 nan 0.000 0.523 198 T N 0.132 114.667 114.554 -0.030 0.000 2.910 198 T HA 0.326 4.676 4.350 0.001 0.000 0.293 198 T C 0.521 175.207 174.700 -0.023 0.000 1.015 198 T CA -0.373 61.704 62.100 -0.038 0.000 1.094 198 T CB 0.579 69.453 68.868 0.011 0.000 0.968 198 T HN 0.303 nan 8.240 nan 0.000 0.521 199 T N 2.696 117.210 114.554 -0.066 0.000 2.926 199 T HA 0.133 4.484 4.350 0.001 0.000 0.307 199 T C 0.352 175.117 174.700 0.108 0.000 1.059 199 T CA -0.279 61.802 62.100 -0.031 0.000 1.122 199 T CB 0.395 69.160 68.868 -0.172 0.000 0.972 199 T HN 0.814 nan 8.240 nan 0.000 0.545 200 D N 0.409 120.865 120.400 0.093 0.000 2.493 200 D HA 0.311 4.951 4.640 0.001 0.000 0.240 200 D C 1.367 177.760 176.300 0.155 0.000 1.142 200 D CA 1.773 55.833 54.000 0.101 0.000 0.872 200 D CB -0.117 40.720 40.800 0.061 0.000 1.173 200 D HN 0.736 nan 8.370 nan 0.000 0.467 201 G N 2.126 110.984 108.800 0.096 0.000 2.284 201 G HA2 -0.278 3.683 3.960 0.001 0.000 0.230 201 G HA3 -0.278 3.683 3.960 0.001 0.000 0.230 201 G C 0.030 174.887 174.900 -0.071 0.000 1.021 201 G CA 0.211 45.313 45.100 0.003 0.000 0.619 201 G HN 0.505 nan 8.290 nan 0.000 0.510 202 Y N 1.191 121.472 120.300 -0.033 0.000 2.354 202 Y HA 0.725 5.275 4.550 0.001 0.000 0.322 202 Y C 0.913 176.800 175.900 -0.021 0.000 1.253 202 Y CA -0.147 57.910 58.100 -0.071 0.000 1.272 202 Y CB 1.209 39.595 38.460 -0.124 0.000 1.255 202 Y HN 0.138 nan 8.280 nan 0.000 0.500 203 K N 1.363 121.848 120.400 0.142 0.000 2.536 203 K HA 0.536 4.856 4.320 0.001 0.000 0.269 203 K C -1.607 175.139 176.600 0.243 0.000 0.965 203 K CA -0.909 55.500 56.287 0.203 0.000 0.860 203 K CB 2.306 35.003 32.500 0.329 0.000 1.423 203 K HN 0.433 nan 8.250 nan 0.000 0.438 204 L N 1.783 123.152 121.223 0.245 0.000 2.375 204 L HA 0.430 4.770 4.340 0.001 0.000 0.271 204 L C 0.632 177.761 176.870 0.431 0.000 1.107 204 L CA -0.589 54.405 54.840 0.258 0.000 0.806 204 L CB 1.099 43.240 42.059 0.137 0.000 1.146 204 L HN 0.761 nan 8.230 nan 0.000 0.447 205 A N 1.585 124.702 122.820 0.495 0.000 2.409 205 A HA 0.070 4.390 4.320 0.001 0.000 0.246 205 A C -0.158 177.531 177.584 0.175 0.000 1.099 205 A CA -0.462 51.809 52.037 0.390 0.000 0.789 205 A CB 0.009 19.187 19.000 0.296 0.000 1.053 205 A HN 0.743 nan 8.150 nan 0.000 0.503 206 D N -0.036 120.400 120.400 0.059 0.000 2.425 206 D HA 0.366 5.006 4.640 0.001 0.000 0.247 206 D C 1.170 177.492 176.300 0.036 0.000 1.147 206 D CA 1.864 55.876 54.000 0.019 0.000 0.879 206 D CB 0.795 41.578 40.800 -0.029 0.000 1.179 206 D HN 1.109 nan 8.370 nan 0.000 0.456 207 G N 1.414 110.234 108.800 0.033 0.000 2.175 207 G HA2 -0.201 3.760 3.960 0.001 0.000 0.244 207 G HA3 -0.201 3.760 3.960 0.001 0.000 0.244 207 G C 0.516 175.427 174.900 0.019 0.000 0.982 207 G CA 0.119 45.233 45.100 0.024 0.000 0.641 207 G HN 0.850 nan 8.290 nan 0.000 0.527 208 A N 0.742 123.585 122.820 0.037 0.000 2.498 208 A HA 0.631 4.951 4.320 0.001 0.000 0.239 208 A C 1.826 179.417 177.584 0.012 0.000 1.068 208 A CA 1.297 53.348 52.037 0.023 0.000 0.766 208 A CB 0.301 19.329 19.000 0.047 0.000 1.003 208 A HN 1.691 nan 8.150 nan 0.000 0.497 209 S N 1.585 117.278 115.700 -0.011 0.000 2.399 209 S HA -0.160 4.311 4.470 0.001 0.000 0.231 209 S C 1.606 176.213 174.600 0.011 0.000 1.022 209 S CA 1.252 59.452 58.200 -0.001 0.000 0.983 209 S CB -0.226 62.964 63.200 -0.017 0.000 0.803 209 S HN 0.976 nan 8.310 nan 0.000 0.480 210 K N 0.994 121.392 120.400 -0.004 0.000 8.679 210 K HA -0.218 4.103 4.320 0.001 0.000 0.496 210 K C -0.461 176.113 176.600 -0.044 0.000 0.364 210 K CA 2.536 58.820 56.287 -0.005 0.000 1.960 210 K CB -1.957 30.561 32.500 0.031 0.000 0.676 210 K HN 0.746 nan 8.250 nan 0.000 0.974 211 D N -1.491 118.890 120.400 -0.030 0.000 2.744 211 D HA 0.712 5.352 4.640 0.001 0.000 0.304 211 D C 0.256 176.506 176.300 -0.083 0.000 1.179 211 D CA 0.186 54.116 54.000 -0.117 0.000 1.024 211 D CB 1.270 42.017 40.800 -0.090 0.000 1.453 211 D HN 0.508 nan 8.370 nan 0.000 0.529 212 G N -2.307 106.366 108.800 -0.211 0.000 2.451 212 G HA2 0.476 4.436 3.960 0.001 0.000 0.292 212 G HA3 0.476 4.436 3.960 0.001 0.000 0.292 212 G C -2.307 172.457 174.900 -0.227 0.000 1.427 212 G CA -1.123 43.934 45.100 -0.073 0.000 0.792 212 G HN 0.312 nan 8.290 nan 0.000 0.498 213 W N -0.454 120.800 121.300 -0.076 0.000 2.962 213 W HA 0.818 5.478 4.660 0.001 0.000 0.341 213 W C 0.040 176.309 176.519 -0.417 0.000 1.155 213 W CA -0.784 56.432 57.345 -0.214 0.000 1.165 213 W CB 2.566 31.900 29.460 -0.211 0.000 1.435 213 W HN 0.524 nan 8.180 nan 0.000 0.546 214 M N 2.513 121.908 119.600 -0.343 0.000 2.378 214 M HA 0.546 5.027 4.480 0.001 0.000 0.289 214 M C -2.200 173.781 176.300 -0.532 0.000 1.136 214 M CA -0.424 54.657 55.300 -0.366 0.000 0.917 214 M CB 1.523 33.992 32.600 -0.219 0.000 1.669 214 M HN 0.370 nan 8.290 nan 0.000 0.461 215 F N 1.576 121.521 119.950 -0.010 0.000 2.507 215 F HA 0.648 5.176 4.527 0.001 0.000 0.325 215 F C -0.173 175.524 175.800 -0.172 0.000 1.116 215 F CA -0.560 57.426 58.000 -0.023 0.000 0.930 215 F CB 2.496 41.521 39.000 0.043 0.000 1.146 215 F HN 0.364 nan 8.300 nan 0.000 0.447 216 T N 2.218 116.697 114.554 -0.125 0.000 2.876 216 T HA 0.811 5.161 4.350 0.001 0.000 0.289 216 T C -1.063 173.541 174.700 -0.160 0.000 1.014 216 T CA -0.788 61.093 62.100 -0.365 0.000 0.986 216 T CB 1.764 69.922 68.868 -1.184 0.000 1.021 216 T HN 0.731 nan 8.240 nan 0.000 0.458 217 A N 2.601 125.376 122.820 -0.076 0.000 2.375 217 A HA 0.736 5.056 4.320 0.001 0.000 0.295 217 A C -0.755 176.875 177.584 0.076 0.000 1.066 217 A CA -0.683 51.386 52.037 0.054 0.000 0.722 217 A CB 1.167 20.228 19.000 0.101 0.000 1.206 217 A HN 0.797 nan 8.150 nan 0.000 0.435 218 E N 2.065 122.365 120.200 0.167 0.000 2.224 218 E HA 0.344 4.694 4.350 0.001 0.000 0.265 218 E C -1.503 175.261 176.600 0.274 0.000 0.878 218 E CA -0.521 56.014 56.400 0.225 0.000 0.759 218 E CB 1.113 31.003 29.700 0.316 0.000 1.164 218 E HN 0.806 nan 8.360 nan 0.000 0.414 219 H N 3.559 122.757 119.070 0.214 0.000 2.481 219 H HA 0.370 4.927 4.556 0.001 0.000 0.333 219 H C -1.292 174.140 175.328 0.173 0.000 1.066 219 H CA -0.321 55.847 56.048 0.199 0.000 1.209 219 H CB 1.497 31.398 29.762 0.231 0.000 1.445 219 H HN 0.432 nan 8.280 nan 0.000 0.488 220 T N 4.983 119.296 114.554 -0.401 0.000 2.770 220 T HA 0.122 4.472 4.350 0.001 0.000 0.283 220 T C -0.220 174.273 174.700 -0.345 0.000 0.988 220 T CA -0.689 61.263 62.100 -0.246 0.000 0.957 220 T CB 1.526 70.290 68.868 -0.173 0.000 0.930 220 T HN 0.496 nan 8.240 nan 0.000 0.443 221 Q N 2.180 121.945 119.800 -0.058 0.000 2.333 221 Q HA 0.487 4.827 4.340 0.001 0.000 0.268 221 Q C -0.865 175.201 176.000 0.109 0.000 1.007 221 Q CA -0.336 55.497 55.803 0.050 0.000 0.810 221 Q CB 1.178 30.039 28.738 0.206 0.000 1.264 221 Q HN 0.597 nan 8.270 nan 0.000 0.452 222 S N 5.236 120.984 115.700 0.080 0.000 2.523 222 S HA 0.808 5.279 4.470 0.001 0.000 0.275 222 S C -0.219 174.439 174.600 0.097 0.000 1.281 222 S CA -0.366 57.895 58.200 0.101 0.000 1.050 222 S CB 0.085 63.324 63.200 0.064 0.000 0.937 222 S HN 0.714 nan 8.310 nan 0.000 0.492 223 M N 0.451 120.114 119.600 0.105 0.000 2.853 223 M HA 0.387 4.868 4.480 0.001 0.000 0.273 223 M C -1.410 174.940 176.300 0.083 0.000 1.128 223 M CA -1.109 54.242 55.300 0.086 0.000 0.814 223 M CB 0.358 33.011 32.600 0.088 0.000 1.667 223 M HN 0.176 nan 8.290 nan 0.000 0.519 224 L N 0.668 121.931 121.223 0.068 0.000 3.936 224 L HA -0.233 4.107 4.340 0.001 0.000 0.453 224 L C 0.394 177.309 176.870 0.075 0.000 1.158 224 L CA 1.669 56.549 54.840 0.065 0.000 0.831 224 L CB -2.463 39.635 42.059 0.065 0.000 1.746 224 L HN 1.038 nan 8.230 nan 0.000 0.912 225 K N -1.991 118.455 120.400 0.076 0.000 3.069 225 K HA -0.180 4.141 4.320 0.001 0.000 0.267 225 K C 1.027 177.692 176.600 0.109 0.000 1.082 225 K CA 0.909 57.247 56.287 0.085 0.000 0.782 225 K CB -1.284 31.262 32.500 0.077 0.000 1.230 225 K HN 0.856 nan 8.250 nan 0.000 0.488 226 G N -0.727 108.140 108.800 0.112 0.000 2.827 226 G HA2 0.622 4.582 3.960 0.001 0.000 0.202 226 G HA3 0.622 4.582 3.960 0.001 0.000 0.202 226 G C -1.501 173.500 174.900 0.167 0.000 1.185 226 G CA -0.139 45.032 45.100 0.118 0.000 0.920 226 G HN 0.316 nan 8.290 nan 0.000 0.550 227 Y N -1.176 119.190 120.300 0.110 0.000 2.725 227 Y HA 0.781 5.332 4.550 0.001 0.000 0.333 227 Y C -1.327 174.623 175.900 0.084 0.000 1.242 227 Y CA -1.503 56.638 58.100 0.068 0.000 1.059 227 Y CB 1.564 40.029 38.460 0.010 0.000 1.306 227 Y HN 0.638 nan 8.280 nan 0.000 0.454 228 N N 1.348 120.258 118.700 0.350 0.000 2.397 228 N HA 0.340 5.080 4.740 0.001 0.000 0.291 228 N C -2.170 173.508 175.510 0.281 0.000 1.065 228 N CA -0.637 52.581 53.050 0.280 0.000 0.884 228 N CB 2.357 41.017 38.487 0.289 0.000 1.551 228 N HN 0.828 nan 8.380 nan 0.000 0.487 229 K N 2.505 122.990 120.400 0.141 0.000 2.292 229 K HA 0.370 4.691 4.320 0.001 0.000 0.257 229 K C -1.398 175.326 176.600 0.205 0.000 0.940 229 K CA -0.637 55.698 56.287 0.080 0.000 0.811 229 K CB 1.924 34.324 32.500 -0.168 0.000 1.120 229 K HN 0.355 nan 8.250 nan 0.000 0.428 230 F N 3.774 123.816 119.950 0.152 0.000 2.427 230 F HA 0.406 4.933 4.527 0.001 0.000 0.348 230 F C -1.067 174.819 175.800 0.143 0.000 1.125 230 F CA -0.763 57.329 58.000 0.153 0.000 0.989 230 F CB 0.977 40.074 39.000 0.162 0.000 1.165 230 F HN 0.121 nan 8.300 nan 0.000 0.442 231 V N 6.367 125.958 119.914 -0.539 0.000 2.604 231 V HA 0.660 4.781 4.120 0.001 0.000 0.305 231 V C -0.871 174.892 176.094 -0.551 0.000 1.043 231 V CA -0.931 61.123 62.300 -0.410 0.000 0.888 231 V CB 1.710 33.337 31.823 -0.326 0.000 0.995 231 V HN 0.546 nan 8.190 nan 0.000 0.429 232 V N 4.438 124.178 119.914 -0.290 0.000 2.525 232 V HA 0.540 4.660 4.120 0.001 0.000 0.299 232 V C -0.597 175.488 176.094 -0.016 0.000 1.034 232 V CA -0.429 61.808 62.300 -0.104 0.000 0.863 232 V CB 1.760 33.601 31.823 0.030 0.000 0.999 232 V HN 0.987 nan 8.190 nan 0.000 0.423 233 Q N 3.193 123.012 119.800 0.031 0.000 2.359 233 Q HA 0.587 4.928 4.340 0.001 0.000 0.274 233 Q C -1.931 174.050 176.000 -0.032 0.000 1.074 233 Q CA -0.812 54.975 55.803 -0.027 0.000 0.810 233 Q CB 3.436 32.108 28.738 -0.110 0.000 1.342 233 Q HN 0.739 nan 8.270 nan 0.000 0.427 234 Y N 0.923 121.062 120.300 -0.268 0.000 2.346 234 Y HA 0.717 5.268 4.550 0.001 0.000 0.332 234 Y C -1.632 174.137 175.900 -0.219 0.000 0.985 234 Y CA -0.645 57.136 58.100 -0.531 0.000 1.112 234 Y CB 1.278 39.264 38.460 -0.791 0.000 1.170 234 Y HN 0.727 nan 8.280 nan 0.000 0.447 235 A N 3.803 126.166 122.820 -0.763 0.000 2.356 235 A HA 0.842 5.162 4.320 0.001 0.000 0.323 235 A C -0.925 176.268 177.584 -0.651 0.000 1.119 235 A CA -0.717 51.006 52.037 -0.524 0.000 0.790 235 A CB 1.643 20.469 19.000 -0.291 0.000 1.273 235 A HN 0.656 nan 8.150 nan 0.000 0.452 236 T N 1.141 115.507 114.554 -0.314 0.000 2.861 236 T HA 0.510 4.861 4.350 0.001 0.000 0.287 236 T C -0.129 174.567 174.700 -0.007 0.000 1.003 236 T CA 0.184 62.195 62.100 -0.147 0.000 0.977 236 T CB 0.810 69.701 68.868 0.039 0.000 0.996 236 T HN 0.817 nan 8.240 nan 0.000 0.448 237 D N 2.408 122.841 120.400 0.055 0.000 4.056 237 D HA -0.336 4.304 4.640 0.001 0.000 0.169 237 D C 1.797 178.135 176.300 0.064 0.000 0.744 237 D CA 2.072 56.126 54.000 0.090 0.000 1.006 237 D CB -1.239 39.611 40.800 0.083 0.000 0.448 237 D HN 0.710 nan 8.370 nan 0.000 0.412 238 A N -0.065 122.759 122.820 0.007 0.000 2.084 238 A HA -0.182 4.138 4.320 0.001 0.000 0.221 238 A C 2.029 179.586 177.584 -0.045 0.000 1.161 238 A CA 2.476 54.491 52.037 -0.036 0.000 0.653 238 A CB -0.372 18.573 19.000 -0.092 0.000 0.802 238 A HN 0.420 nan 8.150 nan 0.000 0.457 239 M N 0.008 119.576 119.600 -0.054 0.000 2.561 239 M HA 0.001 4.481 4.480 0.001 0.000 0.238 239 M C 1.854 178.134 176.300 -0.034 0.000 1.131 239 M CA 1.469 56.724 55.300 -0.074 0.000 1.046 239 M CB -1.201 31.326 32.600 -0.122 0.000 1.532 239 M HN 0.656 nan 8.290 nan 0.000 0.497 240 T N -3.244 111.336 114.554 0.044 0.000 3.035 240 T HA 0.007 4.357 4.350 0.001 0.000 0.259 240 T C 1.778 176.572 174.700 0.157 0.000 1.078 240 T CA 1.219 63.365 62.100 0.077 0.000 1.132 240 T CB -0.340 68.637 68.868 0.182 0.000 0.900 240 T HN 0.180 nan 8.240 nan 0.000 0.480 241 T N 1.825 116.517 114.554 0.230 0.000 2.639 241 T HA -0.097 4.254 4.350 0.001 0.000 0.261 241 T C 2.003 176.763 174.700 0.099 0.000 1.053 241 T CA 1.358 63.600 62.100 0.237 0.000 1.158 241 T CB -0.386 68.570 68.868 0.146 0.000 0.863 241 T HN 0.354 nan 8.240 nan 0.000 0.413 242 Q N 0.591 120.410 119.800 0.032 0.000 2.083 242 Q HA -0.026 4.314 4.340 0.001 0.000 0.198 242 Q C 1.694 177.694 176.000 -0.001 0.000 0.969 242 Q CA 1.267 57.067 55.803 -0.005 0.000 0.838 242 Q CB -0.434 28.279 28.738 -0.041 0.000 0.900 242 Q HN 0.699 nan 8.270 nan 0.000 0.436 243 G N 1.226 110.023 108.800 -0.005 0.000 2.198 243 G HA2 -0.282 3.678 3.960 0.001 0.000 0.260 243 G HA3 -0.282 3.678 3.960 0.001 0.000 0.260 243 G C 0.431 175.327 174.900 -0.006 0.000 1.025 243 G CA 0.902 45.998 45.100 -0.006 0.000 0.769 243 G HN 0.445 nan 8.290 nan 0.000 0.507 244 K N -1.402 118.987 120.400 -0.018 0.000 2.554 244 K HA 0.464 4.785 4.320 0.001 0.000 0.211 244 K C 1.537 178.186 176.600 0.081 0.000 1.226 244 K CA 0.314 56.607 56.287 0.010 0.000 1.025 244 K CB 1.360 33.834 32.500 -0.043 0.000 1.021 244 K HN 1.146 nan 8.250 nan 0.000 0.600 245 G N 1.248 110.063 108.800 0.024 0.000 2.296 245 G HA2 -0.207 3.754 3.960 0.001 0.000 0.188 245 G HA3 -0.207 3.754 3.960 0.001 0.000 0.188 245 G C -0.226 174.656 174.900 -0.030 0.000 1.000 245 G CA -0.533 44.599 45.100 0.053 0.000 0.672 245 G HN 0.184 nan 8.290 nan 0.000 0.483 246 Q N 0.555 120.319 119.800 -0.060 0.000 2.235 246 Q HA 0.687 5.027 4.340 0.001 0.000 0.250 246 Q C 0.226 176.153 176.000 -0.121 0.000 0.909 246 Q CA 0.108 55.849 55.803 -0.103 0.000 0.910 246 Q CB 1.805 30.484 28.738 -0.098 0.000 1.223 246 Q HN 0.594 nan 8.270 nan 0.000 0.432 247 A N 2.592 125.315 122.820 -0.162 0.000 2.309 247 A HA 0.464 4.784 4.320 0.001 0.000 0.298 247 A C -0.345 177.160 177.584 -0.132 0.000 1.165 247 A CA -0.581 51.356 52.037 -0.167 0.000 0.821 247 A CB 0.525 19.381 19.000 -0.240 0.000 1.102 247 A HN 0.615 nan 8.150 nan 0.000 0.500 248 R N 2.835 123.273 120.500 -0.103 0.000 2.651 248 R HA 0.204 4.544 4.340 0.001 0.000 0.282 248 R C 1.011 177.261 176.300 -0.083 0.000 1.565 248 R CA 0.221 56.270 56.100 -0.085 0.000 1.661 248 R CB 0.625 30.891 30.300 -0.056 0.000 1.189 248 R HN 0.894 nan 8.270 nan 0.000 0.621 249 G N 0.448 109.191 108.800 -0.096 0.000 2.534 249 G HA2 -0.194 3.767 3.960 0.001 0.000 0.217 249 G HA3 -0.194 3.767 3.960 0.001 0.000 0.217 249 G C 0.969 175.835 174.900 -0.058 0.000 1.128 249 G CA 0.670 45.722 45.100 -0.080 0.000 0.784 249 G HN 0.451 nan 8.290 nan 0.000 0.542 250 S N -0.424 115.239 115.700 -0.063 0.000 2.650 250 S HA 0.178 4.649 4.470 0.001 0.000 0.240 250 S C 0.003 174.575 174.600 -0.047 0.000 1.007 250 S CA -0.306 57.868 58.200 -0.042 0.000 0.984 250 S CB 0.307 63.474 63.200 -0.056 0.000 0.910 250 S HN 0.151 nan 8.310 nan 0.000 0.509 251 D N 1.592 121.950 120.400 -0.070 0.000 2.493 251 D HA 0.400 5.040 4.640 0.001 0.000 0.240 251 D C 1.391 177.630 176.300 -0.102 0.000 1.142 251 D CA 2.159 56.106 54.000 -0.088 0.000 0.872 251 D CB -0.015 40.723 40.800 -0.104 0.000 1.173 251 D HN 0.467 nan 8.370 nan 0.000 0.467 252 G N 2.126 110.873 108.800 -0.088 0.000 2.179 252 G HA2 -0.222 3.738 3.960 0.001 0.000 0.220 252 G HA3 -0.222 3.738 3.960 0.001 0.000 0.220 252 G C 0.385 175.280 174.900 -0.008 0.000 0.990 252 G CA 0.147 45.197 45.100 -0.083 0.000 0.646 252 G HN 0.622 nan 8.290 nan 0.000 0.517 253 S N 0.369 116.086 115.700 0.029 0.000 2.585 253 S HA 0.702 5.173 4.470 0.001 0.000 0.273 253 S C 0.437 175.114 174.600 0.129 0.000 1.339 253 S CA 0.615 58.882 58.200 0.112 0.000 1.028 253 S CB 1.546 64.840 63.200 0.157 0.000 0.906 253 S HN 1.855 nan 8.310 nan 0.000 0.528 254 S N 0.398 116.211 115.700 0.187 0.000 2.587 254 S HA 0.787 5.258 4.470 0.001 0.000 0.269 254 S C -1.003 173.749 174.600 0.253 0.000 1.154 254 S CA -0.814 57.503 58.200 0.195 0.000 0.824 254 S CB 1.334 64.624 63.200 0.149 0.000 1.118 254 S HN 1.008 nan 8.310 nan 0.000 0.462 255 S N 0.359 116.238 115.700 0.298 0.000 2.596 255 S HA 0.906 5.377 4.470 0.001 0.000 0.270 255 S C -1.256 173.604 174.600 0.434 0.000 1.155 255 S CA -0.975 57.452 58.200 0.377 0.000 0.827 255 S CB 1.209 64.678 63.200 0.449 0.000 1.130 255 S HN 2.008 nan 8.310 nan 0.000 0.467 256 F N -1.222 118.861 119.950 0.221 0.000 2.591 256 F HA 0.850 5.377 4.527 0.001 0.000 0.309 256 F C -1.051 174.859 175.800 0.183 0.000 1.098 256 F CA -0.685 57.418 58.000 0.171 0.000 0.937 256 F CB 1.410 40.487 39.000 0.128 0.000 1.250 256 F HN 0.584 nan 8.300 nan 0.000 0.447 257 T N 2.801 117.404 114.554 0.082 0.000 2.856 257 T HA 0.629 4.979 4.350 0.001 0.000 0.283 257 T C -0.856 173.882 174.700 0.064 0.000 1.008 257 T CA -0.660 61.403 62.100 -0.062 0.000 0.997 257 T CB 1.894 70.731 68.868 -0.052 0.000 0.992 257 T HN 0.882 nan 8.240 nan 0.000 0.454 266 I N 2.276 122.701 120.570 -0.241 0.000 2.418 266 I HA 0.280 4.451 4.170 0.001 0.000 0.287 266 I C -0.378 175.319 176.117 -0.700 0.000 1.008 266 I CA -0.946 60.079 61.300 -0.457 0.000 1.104 266 I CB 1.571 39.301 38.000 -0.449 0.000 1.264 266 I HN 0.312 nan 8.210 nan 0.000 0.438 267 N N 6.458 124.656 118.700 -0.837 0.000 2.434 267 N HA 0.332 5.073 4.740 0.001 0.000 0.272 267 N C -1.374 173.488 175.510 -1.080 0.000 1.040 267 N CA -0.302 52.153 53.050 -0.993 0.000 0.956 267 N CB 1.378 38.993 38.487 -1.453 0.000 1.108 267 N HN 0.376 nan 8.380 nan 0.000 0.481 268 Y N 0.189 120.133 120.300 -0.593 0.000 2.341 268 Y HA 0.441 4.992 4.550 0.001 0.000 0.338 268 Y C 0.239 176.148 175.900 0.016 0.000 0.965 268 Y CA -1.081 56.806 58.100 -0.355 0.000 1.108 268 Y CB 1.476 39.507 38.460 -0.715 0.000 1.180 268 Y HN 0.498 nan 8.280 nan 0.000 0.458 269 A N 4.424 127.416 122.820 0.286 0.000 2.316 269 A HA 0.344 4.665 4.320 0.001 0.000 0.311 269 A C -0.015 177.649 177.584 0.133 0.000 1.339 269 A CA -0.759 51.312 52.037 0.057 0.000 0.960 269 A CB -0.289 18.500 19.000 -0.350 0.000 1.152 269 A HN 0.778 nan 8.150 nan 0.000 0.547 270 N N 1.413 120.233 118.700 0.200 0.000 2.297 270 N HA 0.029 4.769 4.740 0.001 0.000 0.232 270 N C 0.169 175.744 175.510 0.107 0.000 1.311 270 N CA 0.280 53.439 53.050 0.182 0.000 0.897 270 N CB 0.407 39.007 38.487 0.188 0.000 1.137 270 N HN 0.686 nan 8.380 nan 0.000 0.449 271 K N 0.412 120.860 120.400 0.080 0.000 2.368 271 K HA 0.139 4.460 4.320 0.001 0.000 0.282 271 K C -0.698 175.937 176.600 0.057 0.000 1.035 271 K CA -0.411 55.908 56.287 0.053 0.000 0.973 271 K CB 0.472 32.992 32.500 0.035 0.000 0.957 271 K HN 0.171 nan 8.250 nan 0.000 0.474 272 V N 6.539 126.485 119.914 0.053 0.000 2.485 272 V HA -0.043 4.078 4.120 0.001 0.000 0.287 272 V C 0.729 176.818 176.094 -0.007 0.000 1.022 272 V CA 0.097 62.417 62.300 0.034 0.000 1.067 272 V CB 0.452 32.297 31.823 0.036 0.000 0.967 272 V HN 0.711 nan 8.190 nan 0.000 0.479 273 I N 6.415 126.967 120.570 -0.031 0.000 2.213 273 I HA 0.227 4.397 4.170 0.001 0.000 0.295 273 I C 0.882 176.889 176.117 -0.183 0.000 1.172 273 I CA -0.665 60.587 61.300 -0.079 0.000 1.443 273 I CB -0.227 37.738 38.000 -0.059 0.000 1.491 273 I HN 0.895 nan 8.210 nan 0.000 0.652 274 N N 4.491 123.090 118.700 -0.170 0.000 2.260 274 N HA -0.084 4.657 4.740 0.001 0.000 0.230 274 N C 0.226 175.463 175.510 -0.454 0.000 1.323 274 N CA 0.023 52.935 53.050 -0.230 0.000 0.897 274 N CB 0.195 38.606 38.487 -0.127 0.000 1.146 274 N HN 0.582 nan 8.380 nan 0.000 0.460 275 N N -1.619 116.825 118.700 -0.428 0.000 2.321 275 N HA 0.107 4.847 4.740 0.001 0.000 0.242 275 N C -1.026 174.377 175.510 -0.178 0.000 1.141 275 N CA -0.567 52.095 53.050 -0.647 0.000 0.864 275 N CB -0.562 37.753 38.487 -0.287 0.000 1.100 275 N HN 0.356 nan 8.380 nan 0.000 0.510 276 N N 0.783 119.418 118.700 -0.109 0.000 2.454 276 N HA 0.454 5.194 4.740 0.001 0.000 0.260 276 N C 0.784 176.439 175.510 0.242 0.000 1.218 276 N CA 1.010 54.103 53.050 0.071 0.000 0.904 276 N CB 1.016 39.530 38.487 0.046 0.000 1.065 276 N HN 0.599 nan 8.380 nan 0.000 0.462 277 G N 1.015 109.974 108.800 0.265 0.000 2.356 277 G HA2 0.035 3.995 3.960 0.001 0.000 0.266 277 G HA3 0.035 3.995 3.960 0.001 0.000 0.266 277 G C -1.781 173.210 174.900 0.152 0.000 1.312 277 G CA -0.725 44.545 45.100 0.282 0.000 0.922 277 G HN 0.744 nan 8.290 nan 0.000 0.480 278 N N -1.140 117.597 118.700 0.062 0.000 2.610 278 N HA 0.621 5.361 4.740 0.001 0.000 0.264 278 N C -1.003 174.400 175.510 -0.179 0.000 1.348 278 N CA -0.794 52.188 53.050 -0.113 0.000 0.819 278 N CB 2.432 40.900 38.487 -0.031 0.000 1.521 278 N HN 0.843 nan 8.380 nan 0.000 0.497 279 M N 0.830 120.224 119.600 -0.344 0.000 2.393 279 M HA 0.455 4.936 4.480 0.001 0.000 0.299 279 M C -2.257 173.895 176.300 -0.247 0.000 1.103 279 M CA -0.566 54.592 55.300 -0.237 0.000 0.910 279 M CB 2.378 34.842 32.600 -0.226 0.000 1.659 279 M HN 0.745 nan 8.290 nan 0.000 0.445 280 W N 4.207 125.509 121.300 0.003 0.000 2.600 280 W HA 0.576 5.236 4.660 0.001 0.000 0.325 280 W C -0.664 175.835 176.519 -0.033 0.000 1.034 280 W CA -0.575 56.821 57.345 0.086 0.000 1.226 280 W CB 1.610 31.162 29.460 0.153 0.000 1.379 280 W HN 0.509 nan 8.180 nan 0.000 0.466 281 R N 4.746 125.403 120.500 0.261 0.000 2.502 281 R HA 0.609 4.950 4.340 0.001 0.000 0.300 281 R C -1.479 174.867 176.300 0.076 0.000 0.984 281 R CA -0.534 55.611 56.100 0.075 0.000 0.882 281 R CB 0.933 31.233 30.300 0.001 0.000 1.180 281 R HN 0.621 nan 8.270 nan 0.000 0.444 282 I N 6.081 126.670 120.570 0.033 0.000 2.410 282 I HA 0.367 4.537 4.170 0.001 0.000 0.286 282 I C -0.698 175.349 176.117 -0.116 0.000 1.009 282 I CA -0.650 60.620 61.300 -0.050 0.000 1.111 282 I CB 1.820 39.852 38.000 0.052 0.000 1.262 282 I HN 0.426 nan 8.210 nan 0.000 0.443 283 L N 6.075 127.149 121.223 -0.248 0.000 2.381 283 L HA 0.624 4.964 4.340 0.001 0.000 0.268 283 L C -1.582 175.240 176.870 -0.079 0.000 0.997 283 L CA -0.369 54.365 54.840 -0.177 0.000 0.818 283 L CB 2.353 44.230 42.059 -0.304 0.000 1.310 283 L HN 0.582 nan 8.230 nan 0.000 0.416 284 D N 2.485 122.965 120.400 0.133 0.000 2.763 284 D HA 0.350 4.991 4.640 0.001 0.000 0.235 284 D C -1.613 174.896 176.300 0.349 0.000 1.334 284 D CA -0.195 53.986 54.000 0.302 0.000 0.950 284 D CB 1.400 42.460 40.800 0.432 0.000 1.433 284 D HN 0.763 nan 8.370 nan 0.000 0.580 285 H N 0.491 119.647 119.070 0.143 0.000 2.985 285 H HA 0.849 5.406 4.556 0.001 0.000 0.360 285 H C -0.502 174.702 175.328 -0.207 0.000 1.221 285 H CA -0.956 55.065 56.048 -0.045 0.000 1.121 285 H CB 2.230 32.010 29.762 0.029 0.000 1.854 285 H HN 0.456 nan 8.280 nan 0.000 0.551 286 G N -0.667 107.644 108.800 -0.815 0.000 2.495 286 G HA2 0.622 4.583 3.960 0.001 0.000 0.294 286 G HA3 0.622 4.583 3.960 0.001 0.000 0.294 286 G C -1.924 172.498 174.900 -0.797 0.000 1.397 286 G CA -0.588 44.007 45.100 -0.841 0.000 0.790 286 G HN 1.084 nan 8.290 nan 0.000 0.486 287 A N 0.016 122.436 122.820 -0.667 0.000 2.429 287 A HA 0.805 5.125 4.320 0.001 0.000 0.289 287 A C -0.549 176.957 177.584 -0.130 0.000 1.043 287 A CA -0.343 51.529 52.037 -0.274 0.000 0.722 287 A CB 0.589 19.576 19.000 -0.023 0.000 1.243 287 A HN 1.899 nan 8.150 nan 0.000 0.415 288 I N -1.573 119.020 120.570 0.038 0.000 3.191 288 I HA 0.814 4.985 4.170 0.001 0.000 0.313 288 I C -0.592 175.583 176.117 0.096 0.000 1.193 288 I CA -0.852 60.497 61.300 0.081 0.000 0.968 288 I CB 2.337 40.410 38.000 0.121 0.000 1.262 288 I HN 0.282 nan 8.210 nan 0.000 0.456 289 S N 3.466 119.223 115.700 0.095 0.000 2.449 289 S HA 0.565 5.036 4.470 0.001 0.000 0.310 289 S C -0.476 174.183 174.600 0.098 0.000 1.096 289 S CA -0.537 57.723 58.200 0.100 0.000 1.095 289 S CB 1.267 64.519 63.200 0.087 0.000 1.007 289 S HN 0.355 nan 8.310 nan 0.000 0.474 290 L N 4.081 125.384 121.223 0.132 0.000 2.494 290 L HA 0.481 4.821 4.340 0.001 0.000 0.251 290 L C 1.152 178.117 176.870 0.159 0.000 1.119 290 L CA 0.555 55.461 54.840 0.111 0.000 1.026 290 L CB -0.918 41.178 42.059 0.062 0.000 1.370 290 L HN 1.037 nan 8.230 nan 0.000 0.426 291 G N 2.322 111.188 108.800 0.110 0.000 2.568 291 G HA2 -0.238 3.723 3.960 0.001 0.000 0.222 291 G HA3 -0.238 3.723 3.960 0.001 0.000 0.222 291 G C 0.341 175.287 174.900 0.076 0.000 1.321 291 G CA -0.042 45.120 45.100 0.103 0.000 0.893 291 G HN 0.359 nan 8.290 nan 0.000 0.569 292 D N 0.202 120.630 120.400 0.046 0.000 2.213 292 D HA 0.068 4.709 4.640 0.001 0.000 0.205 292 D C 2.195 178.427 176.300 -0.113 0.000 0.961 292 D CA 1.080 55.068 54.000 -0.020 0.000 0.853 292 D CB 0.073 40.856 40.800 -0.028 0.000 0.967 292 D HN 0.326 nan 8.370 nan 0.000 0.496 293 K N -0.689 119.616 120.400 -0.158 0.000 2.353 293 K HA 0.098 4.419 4.320 0.001 0.000 0.195 293 K C -0.153 176.042 176.600 -0.675 0.000 1.031 293 K CA -0.036 55.934 56.287 -0.530 0.000 1.079 293 K CB 0.746 32.833 32.500 -0.688 0.000 0.857 293 K HN 0.136 nan 8.250 nan 0.000 0.535 294 W N 1.138 122.372 121.300 -0.109 0.000 2.702 294 W HA 0.303 4.964 4.660 0.001 0.000 0.331 294 W C -0.514 175.984 176.519 -0.035 0.000 1.049 294 W CA -0.682 56.634 57.345 -0.050 0.000 1.230 294 W CB 1.410 30.873 29.460 0.006 0.000 1.408 294 W HN -0.201 nan 8.180 nan 0.000 0.492 295 D N 1.870 122.404 120.400 0.224 0.000 2.433 295 D HA 0.677 5.318 4.640 0.001 0.000 0.236 295 D C -1.677 174.721 176.300 0.163 0.000 1.026 295 D CA -0.590 53.490 54.000 0.134 0.000 0.884 295 D CB 2.263 43.085 40.800 0.037 0.000 1.384 295 D HN 0.226 nan 8.370 nan 0.000 0.477 296 L N 1.325 122.617 121.223 0.116 0.000 2.505 296 L HA 0.548 4.888 4.340 0.001 0.000 0.266 296 L C -1.744 175.194 176.870 0.115 0.000 0.954 296 L CA -0.236 54.686 54.840 0.137 0.000 0.852 296 L CB 1.606 43.761 42.059 0.161 0.000 1.282 296 L HN 0.405 nan 8.230 nan 0.000 0.403 297 M N 4.861 124.511 119.600 0.085 0.000 2.436 297 M HA 0.603 5.084 4.480 0.001 0.000 0.331 297 M C -1.594 174.802 176.300 0.159 0.000 1.135 297 M CA -0.663 54.636 55.300 -0.000 0.000 0.987 297 M CB 1.916 34.474 32.600 -0.070 0.000 1.687 297 M HN 0.641 nan 8.290 nan 0.000 0.445 298 Y N 0.179 120.541 120.300 0.104 0.000 2.609 298 Y HA 0.859 5.410 4.550 0.001 0.000 0.336 298 Y C -1.686 174.330 175.900 0.194 0.000 1.129 298 Y CA -1.420 56.761 58.100 0.133 0.000 1.040 298 Y CB 0.816 39.331 38.460 0.092 0.000 1.310 298 Y HN 0.398 nan 8.280 nan 0.000 0.460 299 V N 0.011 120.126 119.914 0.336 0.000 2.971 299 V HA 1.000 5.120 4.120 0.001 0.000 0.309 299 V C -0.368 175.891 176.094 0.274 0.000 1.130 299 V CA -0.533 61.926 62.300 0.265 0.000 0.964 299 V CB 1.728 33.664 31.823 0.188 0.000 1.029 299 V HN 1.414 nan 8.190 nan 0.000 0.427 300 G N 2.522 111.450 108.800 0.213 0.000 2.668 300 G HA2 0.670 4.630 3.960 0.001 0.000 0.284 300 G HA3 0.670 4.630 3.960 0.001 0.000 0.284 300 G C -1.394 173.559 174.900 0.087 0.000 1.456 300 G CA -0.440 44.771 45.100 0.185 0.000 1.214 300 G HN 0.826 nan 8.290 nan 0.000 0.568 301 M N 2.777 122.370 119.600 -0.012 0.000 2.433 301 M HA 0.690 5.170 4.480 0.001 0.000 0.290 301 M C -2.356 173.809 176.300 -0.225 0.000 1.173 301 M CA -1.107 54.090 55.300 -0.171 0.000 0.905 301 M CB 2.801 35.155 32.600 -0.411 0.000 1.692 301 M HN 0.551 nan 8.290 nan 0.000 0.462 302 Y N 3.383 123.455 120.300 -0.379 0.000 2.338 302 Y HA 0.560 5.110 4.550 0.001 0.000 0.333 302 Y C -1.548 174.100 175.900 -0.420 0.000 0.968 302 Y CA -0.276 57.461 58.100 -0.606 0.000 1.123 302 Y CB 1.465 39.493 38.460 -0.720 0.000 1.165 302 Y HN 0.743 nan 8.280 nan 0.000 0.452 303 Q N 5.284 124.488 119.800 -0.994 0.000 2.323 303 Q HA 0.400 4.740 4.340 0.001 0.000 0.271 303 Q C -1.971 173.599 176.000 -0.716 0.000 1.048 303 Q CA -0.852 54.585 55.803 -0.609 0.000 0.792 303 Q CB 1.468 30.065 28.738 -0.235 0.000 1.280 303 Q HN 0.767 nan 8.270 nan 0.000 0.441 304 N N 4.432 122.840 118.700 -0.485 0.000 2.491 304 N HA 0.370 5.111 4.740 0.001 0.000 0.274 304 N C -1.652 173.757 175.510 -0.168 0.000 1.023 304 N CA -0.361 52.502 53.050 -0.313 0.000 0.902 304 N CB 1.041 39.428 38.487 -0.167 0.000 1.267 304 N HN 0.614 nan 8.380 nan 0.000 0.503 305 I N 1.947 122.363 120.570 -0.256 0.000 2.287 305 I HA 0.183 4.354 4.170 0.001 0.000 0.290 305 I C -0.243 175.626 176.117 -0.412 0.000 1.069 305 I CA -0.572 60.462 61.300 -0.443 0.000 1.237 305 I CB 0.774 38.339 38.000 -0.725 0.000 1.418 305 I HN 0.445 nan 8.210 nan 0.000 0.481 306 D N 7.624 127.878 120.400 -0.245 0.000 2.467 306 D HA 0.141 4.781 4.640 0.001 0.000 0.220 306 D C -0.967 175.351 176.300 0.030 0.000 1.103 306 D CA -0.241 53.723 54.000 -0.060 0.000 0.886 306 D CB 0.522 41.366 40.800 0.072 0.000 1.025 306 D HN 0.179 nan 8.370 nan 0.000 0.514 307 W N 2.699 124.019 121.300 0.033 0.000 2.365 307 W HA 0.199 4.859 4.660 0.001 0.000 0.316 307 W C 1.093 177.632 176.519 0.033 0.000 1.164 307 W CA -0.921 56.438 57.345 0.023 0.000 1.204 307 W CB 1.147 30.610 29.460 0.005 0.000 1.213 307 W HN 0.347 nan 8.180 nan 0.000 0.539 308 D N 1.434 122.003 120.400 0.281 0.000 2.158 308 D HA -0.242 4.398 4.640 0.001 0.000 0.197 308 D C 1.564 177.946 176.300 0.136 0.000 0.995 308 D CA 1.849 55.948 54.000 0.166 0.000 0.846 308 D CB -0.289 40.584 40.800 0.122 0.000 0.941 308 D HN 0.428 nan 8.370 nan 0.000 0.456 309 N N 0.620 119.396 118.700 0.126 0.000 2.571 309 N HA -0.151 4.590 4.740 0.001 0.000 0.189 309 N C -0.124 175.462 175.510 0.127 0.000 1.154 309 N CA 0.346 53.452 53.050 0.093 0.000 0.907 309 N CB -0.443 38.057 38.487 0.021 0.000 0.977 309 N HN -0.049 nan 8.380 nan 0.000 0.449 310 N N -0.729 118.073 118.700 0.171 0.000 2.782 310 N HA -0.161 4.580 4.740 0.001 0.000 0.251 310 N C -0.357 175.242 175.510 0.147 0.000 1.101 310 N CA 0.822 53.960 53.050 0.146 0.000 0.764 310 N CB -1.558 36.988 38.487 0.098 0.000 1.122 310 N HN 0.448 nan 8.380 nan 0.000 0.561 311 L N -0.620 120.741 121.223 0.230 0.000 2.628 311 L HA 0.242 4.583 4.340 0.001 0.000 0.229 311 L C 1.814 178.903 176.870 0.365 0.000 1.137 311 L CA 0.206 55.181 54.840 0.224 0.000 0.909 311 L CB 0.074 42.192 42.059 0.099 0.000 1.137 311 L HN 0.201 nan 8.230 nan 0.000 0.470 312 G N 0.444 109.421 108.800 0.295 0.000 2.489 312 G HA2 0.412 4.373 3.960 0.001 0.000 0.271 312 G HA3 0.412 4.373 3.960 0.001 0.000 0.271 312 G C -0.136 174.721 174.900 -0.071 0.000 1.427 312 G CA 0.307 45.394 45.100 -0.023 0.000 1.057 312 G HN 0.203 nan 8.290 nan 0.000 0.532 313 T N -3.143 111.324 114.554 -0.144 0.000 2.894 313 T HA 0.591 4.941 4.350 0.001 0.000 0.309 313 T C -1.236 173.424 174.700 -0.067 0.000 1.208 313 T CA -0.775 61.287 62.100 -0.063 0.000 1.016 313 T CB 2.449 71.338 68.868 0.035 0.000 1.192 313 T HN 0.565 nan 8.240 nan 0.000 0.491 314 E N 1.031 121.233 120.200 0.004 0.000 2.185 314 E HA 0.447 4.797 4.350 0.001 0.000 0.261 314 E C -1.848 174.800 176.600 0.080 0.000 0.879 314 E CA -0.749 55.627 56.400 -0.041 0.000 0.756 314 E CB 1.140 30.877 29.700 0.062 0.000 1.152 314 E HN 0.665 nan 8.360 nan 0.000 0.416 315 W N 6.490 127.584 121.300 -0.342 0.000 2.656 315 W HA 0.503 5.163 4.660 0.001 0.000 0.327 315 W C -2.078 174.241 176.519 -0.334 0.000 1.041 315 W CA -1.338 55.884 57.345 -0.206 0.000 1.229 315 W CB 0.854 30.210 29.460 -0.172 0.000 1.397 315 W HN 0.496 nan 8.180 nan 0.000 0.479 316 W N 4.919 126.240 121.300 0.035 0.000 2.656 316 W HA 0.562 5.222 4.660 0.001 0.000 0.327 316 W C -0.239 176.172 176.519 -0.180 0.000 1.041 316 W CA -0.797 56.520 57.345 -0.046 0.000 1.229 316 W CB 2.386 31.960 29.460 0.191 0.000 1.397 316 W HN 0.255 nan 8.180 nan 0.000 0.479 317 T N 2.719 117.244 114.554 -0.049 0.000 2.971 317 T HA 0.712 5.062 4.350 0.001 0.000 0.304 317 T C -1.726 173.094 174.700 0.200 0.000 1.038 317 T CA -0.463 61.661 62.100 0.039 0.000 1.007 317 T CB 0.782 69.481 68.868 -0.281 0.000 1.055 317 T HN 0.197 nan 8.240 nan 0.000 0.451 318 V N 2.704 122.820 119.914 0.336 0.000 2.808 318 V HA 0.981 5.102 4.120 0.001 0.000 0.308 318 V C 0.369 176.576 176.094 0.188 0.000 1.099 318 V CA -0.654 61.811 62.300 0.274 0.000 0.920 318 V CB 1.745 33.703 31.823 0.225 0.000 1.014 318 V HN 1.169 nan 8.190 nan 0.000 0.425 319 G N 1.192 110.111 108.800 0.198 0.000 2.677 319 G HA2 0.703 4.664 3.960 0.001 0.000 0.291 319 G HA3 0.703 4.664 3.960 0.001 0.000 0.291 319 G C -2.219 172.780 174.900 0.164 0.000 1.435 319 G CA -0.703 44.419 45.100 0.037 0.000 0.826 319 G HN 0.776 nan 8.290 nan 0.000 0.491 320 V N -0.065 119.912 119.914 0.106 0.000 2.932 320 V HA 0.827 4.948 4.120 0.001 0.000 0.307 320 V C -0.919 175.257 176.094 0.137 0.000 1.147 320 V CA -0.945 61.445 62.300 0.150 0.000 0.951 320 V CB 2.312 34.193 31.823 0.097 0.000 1.031 320 V HN 0.927 nan 8.190 nan 0.000 0.426 321 R N 6.527 127.119 120.500 0.154 0.000 2.607 321 R HA 0.489 4.830 4.340 0.001 0.000 0.278 321 R C -2.908 173.476 176.300 0.140 0.000 1.637 321 R CA -1.287 54.897 56.100 0.140 0.000 1.325 321 R CB 1.964 32.344 30.300 0.133 0.000 1.211 321 R HN 0.505 nan 8.270 nan 0.000 0.565 322 P HA 0.172 nan 4.420 nan 0.000 0.282 322 P C -1.057 176.401 177.300 0.263 0.000 1.249 322 P CA -0.477 62.773 63.100 0.250 0.000 0.806 322 P CB 1.551 33.421 31.700 0.282 0.000 0.984 323 M N 3.984 123.740 119.600 0.259 0.000 2.259 323 M HA 0.343 4.823 4.480 0.001 0.000 0.304 323 M C -1.960 174.293 176.300 -0.080 0.000 1.019 323 M CA -1.043 54.311 55.300 0.090 0.000 0.922 323 M CB 1.642 34.248 32.600 0.011 0.000 1.600 323 M HN 0.299 nan 8.290 nan 0.000 0.433 324 Y N 4.697 124.722 120.300 -0.459 0.000 2.331 324 Y HA 0.437 4.987 4.550 0.001 0.000 0.338 324 Y C -0.943 174.505 175.900 -0.753 0.000 0.992 324 Y CA -0.448 57.036 58.100 -1.026 0.000 1.121 324 Y CB 1.096 38.776 38.460 -1.300 0.000 1.184 324 Y HN 0.543 nan 8.280 nan 0.000 0.469 325 K N 6.512 126.092 120.400 -1.366 0.000 2.231 325 K HA 0.073 4.394 4.320 0.001 0.000 0.275 325 K C -0.160 175.871 176.600 -0.949 0.000 1.105 325 K CA -0.253 55.514 56.287 -0.866 0.000 0.931 325 K CB 0.497 32.668 32.500 -0.549 0.000 1.296 325 K HN 0.829 nan 8.250 nan 0.000 0.446 326 W N 1.817 122.853 121.300 -0.440 0.000 2.379 326 W HA -0.175 4.486 4.660 0.001 0.000 0.307 326 W C 1.430 177.843 176.519 -0.178 0.000 1.200 326 W CA 1.009 58.223 57.345 -0.218 0.000 1.297 326 W CB 0.114 29.525 29.460 -0.081 0.000 1.140 326 W HN 0.490 nan 8.180 nan 0.000 0.507 327 T N -5.686 108.910 114.554 0.070 0.000 2.778 327 T HA 0.339 4.689 4.350 0.001 0.000 0.293 327 T C -2.338 172.346 174.700 -0.025 0.000 1.144 327 T CA -1.648 60.469 62.100 0.027 0.000 1.010 327 T CB 1.633 70.545 68.868 0.073 0.000 1.325 327 T HN -0.446 nan 8.240 nan 0.000 0.515 328 P HA 0.120 nan 4.420 nan 0.000 0.220 328 P C 1.291 178.595 177.300 0.006 0.000 1.148 328 P CA 0.771 63.863 63.100 -0.013 0.000 0.803 328 P CB -0.185 31.520 31.700 0.007 0.000 0.782 329 I N -7.231 113.360 120.570 0.034 0.000 4.082 329 I HA 0.355 4.525 4.170 0.001 0.000 0.337 329 I C 0.565 176.700 176.117 0.030 0.000 1.352 329 I CA -0.055 61.284 61.300 0.065 0.000 1.097 329 I CB 0.195 38.272 38.000 0.127 0.000 1.048 329 I HN -0.180 nan 8.210 nan 0.000 0.393 330 M N 2.584 122.163 119.600 -0.035 0.000 2.395 330 M HA 0.598 5.079 4.480 0.001 0.000 0.307 330 M C -1.177 175.080 176.300 -0.072 0.000 1.091 330 M CA -0.257 54.921 55.300 -0.204 0.000 0.919 330 M CB 2.075 34.531 32.600 -0.240 0.000 1.662 330 M HN 0.326 nan 8.290 nan 0.000 0.440 331 S N 2.126 117.760 115.700 -0.109 0.000 2.656 331 S HA 0.725 5.196 4.470 0.001 0.000 0.273 331 S C -1.112 173.551 174.600 0.104 0.000 1.168 331 S CA -0.733 57.495 58.200 0.045 0.000 0.817 331 S CB 2.246 65.389 63.200 -0.096 0.000 1.146 331 S HN 0.636 nan 8.310 nan 0.000 0.475 332 T N 1.399 116.061 114.554 0.180 0.000 2.824 332 T HA 0.683 5.033 4.350 0.001 0.000 0.282 332 T C -1.078 173.699 174.700 0.128 0.000 0.993 332 T CA -0.369 61.856 62.100 0.208 0.000 0.967 332 T CB 0.732 69.841 68.868 0.400 0.000 0.960 332 T HN 0.502 nan 8.240 nan 0.000 0.441 333 L N 3.263 124.565 121.223 0.131 0.000 2.342 333 L HA 0.790 5.130 4.340 0.001 0.000 0.271 333 L C -0.905 176.065 176.870 0.166 0.000 1.008 333 L CA -0.845 54.077 54.840 0.136 0.000 0.818 333 L CB 1.832 43.961 42.059 0.116 0.000 1.296 333 L HN 0.464 nan 8.230 nan 0.000 0.427 334 L N 1.984 123.310 121.223 0.171 0.000 2.408 334 L HA 0.645 4.985 4.340 0.001 0.000 0.268 334 L C -1.058 175.907 176.870 0.157 0.000 0.986 334 L CA -0.019 54.923 54.840 0.170 0.000 0.820 334 L CB 2.029 44.188 42.059 0.167 0.000 1.303 334 L HN 0.696 nan 8.230 nan 0.000 0.411 335 E N 3.595 123.889 120.200 0.157 0.000 2.246 335 E HA 0.652 5.002 4.350 0.001 0.000 0.266 335 E C -2.024 174.646 176.600 0.117 0.000 0.880 335 E CA -0.713 55.773 56.400 0.143 0.000 0.762 335 E CB 2.054 31.856 29.700 0.169 0.000 1.180 335 E HN 0.505 nan 8.360 nan 0.000 0.416 336 V N 3.282 123.228 119.914 0.054 0.000 2.483 336 V HA 0.767 4.887 4.120 0.001 0.000 0.297 336 V C 0.168 176.147 176.094 -0.192 0.000 1.027 336 V CA -0.446 61.861 62.300 0.011 0.000 0.855 336 V CB 1.660 33.504 31.823 0.035 0.000 0.995 336 V HN 0.734 nan 8.190 nan 0.000 0.424 337 G N 2.877 111.474 108.800 -0.339 0.000 2.571 337 G HA2 0.641 4.602 3.960 0.001 0.000 0.304 337 G HA3 0.641 4.602 3.960 0.001 0.000 0.304 337 G C -2.215 172.545 174.900 -0.232 0.000 1.314 337 G CA -0.600 43.910 45.100 -0.983 0.000 0.975 337 G HN 0.581 nan 8.290 nan 0.000 0.485 338 Y N 1.192 121.383 120.300 -0.181 0.000 2.406 338 Y HA 0.572 5.122 4.550 0.001 0.000 0.340 338 Y C -1.212 174.864 175.900 0.292 0.000 0.975 338 Y CA -1.013 57.165 58.100 0.129 0.000 1.056 338 Y CB 2.200 40.717 38.460 0.095 0.000 1.210 338 Y HN 0.425 nan 8.280 nan 0.000 0.448 339 D N 4.784 124.993 120.400 -0.318 0.000 2.498 339 D HA 0.227 4.867 4.640 0.001 0.000 0.247 339 D C -1.481 174.601 176.300 -0.364 0.000 1.070 339 D CA -0.496 53.467 54.000 -0.063 0.000 0.842 339 D CB 2.080 43.027 40.800 0.244 0.000 1.361 339 D HN 0.576 nan 8.370 nan 0.000 0.484 340 N N 1.909 120.639 118.700 0.051 0.000 2.519 340 N HA 0.249 4.989 4.740 0.001 0.000 0.286 340 N C -1.750 174.027 175.510 0.445 0.000 1.079 340 N CA -0.338 52.811 53.050 0.165 0.000 0.878 340 N CB 1.795 40.428 38.487 0.243 0.000 1.375 340 N HN 0.040 nan 8.380 nan 0.000 0.514 341 V N 3.010 123.132 119.914 0.346 0.000 2.448 341 V HA 0.456 4.576 4.120 0.001 0.000 0.295 341 V C 0.233 176.607 176.094 0.468 0.000 1.025 341 V CA -0.869 61.658 62.300 0.380 0.000 0.859 341 V CB 1.714 33.670 31.823 0.222 0.000 0.988 341 V HN 0.462 nan 8.190 nan 0.000 0.431 342 K N 2.649 123.257 120.400 0.346 0.000 2.235 342 K HA 0.424 4.744 4.320 0.001 0.000 0.266 342 K C -0.100 176.444 176.600 -0.093 0.000 0.980 342 K CA -0.138 56.260 56.287 0.185 0.000 0.849 342 K CB 1.838 34.446 32.500 0.179 0.000 1.098 342 K HN 0.732 nan 8.250 nan 0.000 0.445 343 S N 2.992 118.331 115.700 -0.603 0.000 2.488 343 S HA -0.008 4.463 4.470 0.001 0.000 0.278 343 S C 1.123 175.465 174.600 -0.430 0.000 1.259 343 S CA 0.041 57.657 58.200 -0.974 0.000 1.061 343 S CB 0.998 63.103 63.200 -1.826 0.000 0.910 343 S HN 0.757 nan 8.310 nan 0.000 0.491 344 Q N 3.381 123.028 119.800 -0.255 0.000 2.124 344 Q HA -0.177 4.164 4.340 0.001 0.000 0.202 344 Q C 1.993 177.936 176.000 -0.096 0.000 0.977 344 Q CA 1.530 57.268 55.803 -0.108 0.000 0.850 344 Q CB -0.109 28.610 28.738 -0.032 0.000 0.901 344 Q HN 0.935 nan 8.270 nan 0.000 0.429 345 Q N -0.509 119.211 119.800 -0.133 0.000 1.990 345 Q HA -0.151 4.190 4.340 0.001 0.000 0.200 345 Q C 1.943 177.886 176.000 -0.095 0.000 0.980 345 Q CA 2.130 57.890 55.803 -0.072 0.000 0.832 345 Q CB -0.032 28.683 28.738 -0.039 0.000 0.897 345 Q HN 0.519 nan 8.270 nan 0.000 0.427 346 T N -4.238 110.199 114.554 -0.194 0.000 3.057 346 T HA 0.235 4.585 4.350 0.001 0.000 0.254 346 T C 1.277 175.901 174.700 -0.127 0.000 1.094 346 T CA 0.917 62.934 62.100 -0.140 0.000 1.088 346 T CB 0.501 69.285 68.868 -0.139 0.000 0.934 346 T HN 0.593 nan 8.240 nan 0.000 0.497 347 G N 1.244 109.937 108.800 -0.179 0.000 2.179 347 G HA2 -0.211 3.750 3.960 0.001 0.000 0.260 347 G HA3 -0.211 3.750 3.960 0.001 0.000 0.260 347 G C -0.176 174.680 174.900 -0.073 0.000 0.977 347 G CA 0.211 45.253 45.100 -0.097 0.000 0.641 347 G HN 0.612 nan 8.290 nan 0.000 0.533 348 D N 0.171 120.493 120.400 -0.129 0.000 2.358 348 D HA 0.509 5.150 4.640 0.001 0.000 0.244 348 D C 0.850 177.230 176.300 0.134 0.000 1.163 348 D CA 0.115 54.132 54.000 0.029 0.000 0.945 348 D CB 0.626 41.505 40.800 0.131 0.000 1.152 348 D HN 0.335 nan 8.370 nan 0.000 0.451 349 R N 1.051 121.740 120.500 0.316 0.000 2.670 349 R HA 0.402 4.742 4.340 0.001 0.000 0.289 349 R C -0.606 175.928 176.300 0.391 0.000 0.965 349 R CA -0.828 55.509 56.100 0.395 0.000 0.899 349 R CB 1.435 31.895 30.300 0.268 0.000 1.173 349 R HN 0.304 nan 8.270 nan 0.000 0.456 350 N N 1.611 120.516 118.700 0.342 0.000 2.314 350 N HA 0.335 5.075 4.740 0.001 0.000 0.304 350 N C -1.310 174.261 175.510 0.102 0.000 1.073 350 N CA -0.775 52.325 53.050 0.083 0.000 0.822 350 N CB 1.808 40.154 38.487 -0.234 0.000 1.280 350 N HN 0.635 nan 8.380 nan 0.000 0.489 351 N N -0.419 118.336 118.700 0.092 0.000 2.396 351 N HA 0.448 5.189 4.740 0.001 0.000 0.275 351 N C -1.568 174.008 175.510 0.110 0.000 1.218 351 N CA -0.807 52.280 53.050 0.062 0.000 0.812 351 N CB 2.154 40.723 38.487 0.137 0.000 1.592 351 N HN 0.441 nan 8.380 nan 0.000 0.480 352 Q N 0.160 119.994 119.800 0.056 0.000 2.391 352 Q HA 0.416 4.756 4.340 0.001 0.000 0.279 352 Q C -2.074 174.068 176.000 0.238 0.000 1.028 352 Q CA -0.888 55.005 55.803 0.151 0.000 0.836 352 Q CB 1.769 30.578 28.738 0.118 0.000 1.414 352 Q HN 0.777 nan 8.270 nan 0.000 0.397 353 Y N 0.346 120.767 120.300 0.200 0.000 2.457 353 Y HA 0.731 5.282 4.550 0.001 0.000 0.343 353 Y C -1.660 174.327 175.900 0.144 0.000 0.994 353 Y CA -0.941 57.291 58.100 0.219 0.000 1.031 353 Y CB 1.370 40.010 38.460 0.300 0.000 1.246 353 Y HN 0.642 nan 8.280 nan 0.000 0.449 354 K N 4.206 124.775 120.400 0.282 0.000 2.422 354 K HA 0.778 5.099 4.320 0.001 0.000 0.251 354 K C -1.937 174.831 176.600 0.279 0.000 0.933 354 K CA -0.739 55.670 56.287 0.204 0.000 0.798 354 K CB 2.063 34.686 32.500 0.204 0.000 1.238 354 K HN 0.692 nan 8.250 nan 0.000 0.428 355 I N 2.669 123.433 120.570 0.324 0.000 2.436 355 I HA 0.333 4.503 4.170 0.001 0.000 0.289 355 I C -0.820 175.480 176.117 0.306 0.000 1.010 355 I CA -0.600 60.882 61.300 0.304 0.000 1.098 355 I CB 1.359 39.562 38.000 0.338 0.000 1.266 355 I HN 0.751 nan 8.210 nan 0.000 0.434 356 T N 6.777 121.487 114.554 0.260 0.000 2.861 356 T HA 0.542 4.893 4.350 0.001 0.000 0.287 356 T C -0.613 174.241 174.700 0.256 0.000 1.003 356 T CA -0.512 61.758 62.100 0.283 0.000 0.977 356 T CB 2.175 71.186 68.868 0.240 0.000 0.996 356 T HN 0.315 nan 8.240 nan 0.000 0.448 357 L N 3.125 124.523 121.223 0.292 0.000 2.356 357 L HA 0.858 5.199 4.340 0.001 0.000 0.277 357 L C -1.053 175.995 176.870 0.297 0.000 0.996 357 L CA -0.563 54.427 54.840 0.250 0.000 0.822 357 L CB 1.028 43.215 42.059 0.213 0.000 1.256 357 L HN 0.855 nan 8.230 nan 0.000 0.413 358 A N 4.337 127.310 122.820 0.254 0.000 2.449 358 A HA 0.651 4.972 4.320 0.001 0.000 0.302 358 A C -1.236 176.450 177.584 0.170 0.000 1.048 358 A CA -0.553 51.647 52.037 0.272 0.000 0.708 358 A CB 1.975 21.153 19.000 0.297 0.000 1.274 358 A HN 0.620 nan 8.150 nan 0.000 0.410 359 Q N 0.933 120.813 119.800 0.134 0.000 2.271 359 Q HA 0.573 4.913 4.340 0.001 0.000 0.258 359 Q C -0.560 175.353 176.000 -0.146 0.000 0.936 359 Q CA 0.024 55.795 55.803 -0.053 0.000 0.909 359 Q CB 1.192 29.884 28.738 -0.078 0.000 1.253 359 Q HN 0.758 nan 8.270 nan 0.000 0.440 360 Q N 3.371 122.958 119.800 -0.354 0.000 2.421 360 Q HA 0.463 4.803 4.340 0.001 0.000 0.280 360 Q C -1.546 174.169 176.000 -0.474 0.000 1.085 360 Q CA -0.622 55.050 55.803 -0.220 0.000 0.807 360 Q CB 1.357 30.088 28.738 -0.012 0.000 1.405 360 Q HN 0.685 nan 8.270 nan 0.000 0.419 361 W N 4.458 125.799 121.300 0.069 0.000 2.475 361 W HA 0.322 4.983 4.660 0.001 0.000 0.320 361 W C -0.416 176.122 176.519 0.030 0.000 1.022 361 W CA -0.529 56.845 57.345 0.048 0.000 1.240 361 W CB 1.978 31.460 29.460 0.038 0.000 1.328 361 W HN 0.634 nan 8.180 nan 0.000 0.439 362 Q N 1.247 121.142 119.800 0.159 0.000 2.451 362 Q HA 0.624 4.964 4.340 0.001 0.000 0.281 362 Q C -0.889 175.159 176.000 0.080 0.000 1.099 362 Q CA -0.852 55.008 55.803 0.095 0.000 0.806 362 Q CB 1.831 30.593 28.738 0.040 0.000 1.419 362 Q HN 0.417 nan 8.270 nan 0.000 0.427 363 A N 0.917 123.770 122.820 0.055 0.000 3.048 363 A HA 0.598 4.918 4.320 0.001 0.000 0.264 363 A C 0.554 178.171 177.584 0.056 0.000 1.796 363 A CA 0.689 52.758 52.037 0.053 0.000 1.445 363 A CB -1.374 17.650 19.000 0.040 0.000 1.074 363 A HN 1.256 nan 8.150 nan 0.000 0.621 364 G N 0.524 109.358 108.800 0.055 0.000 2.369 364 G HA2 0.272 4.232 3.960 0.001 0.000 0.307 364 G HA3 0.272 4.232 3.960 0.001 0.000 0.307 364 G C -0.574 174.350 174.900 0.040 0.000 1.327 364 G CA 0.017 45.150 45.100 0.055 0.000 0.963 364 G HN 0.579 nan 8.290 nan 0.000 0.590 365 D N -0.967 119.454 120.400 0.035 0.000 2.501 365 D HA 0.396 5.037 4.640 0.001 0.000 0.226 365 D C 0.643 176.953 176.300 0.016 0.000 1.198 365 D CA 0.382 54.385 54.000 0.004 0.000 0.830 365 D CB 0.735 41.527 40.800 -0.013 0.000 1.014 365 D HN 0.513 nan 8.370 nan 0.000 0.496 366 S N -0.128 115.608 115.700 0.061 0.000 2.638 366 S HA 0.409 4.879 4.470 0.001 0.000 0.298 366 S C 0.855 175.493 174.600 0.063 0.000 1.111 366 S CA -0.845 57.414 58.200 0.099 0.000 1.027 366 S CB 1.268 64.591 63.200 0.205 0.000 1.064 366 S HN 0.184 nan 8.310 nan 0.000 0.525 367 I N 2.339 122.910 120.570 0.001 0.000 2.756 367 I HA 0.046 4.216 4.170 0.001 0.000 0.262 367 I C 0.442 176.464 176.117 -0.160 0.000 1.225 367 I CA 1.042 62.262 61.300 -0.132 0.000 1.472 367 I CB 0.078 37.926 38.000 -0.253 0.000 1.094 367 I HN 0.769 nan 8.210 nan 0.000 0.454 368 W N 0.254 121.619 121.300 0.108 0.000 3.278 368 W HA 0.219 4.879 4.660 0.001 0.000 0.308 368 W C 1.186 177.806 176.519 0.169 0.000 1.253 368 W CA -0.502 56.961 57.345 0.197 0.000 1.759 368 W CB 0.042 29.635 29.460 0.223 0.000 1.093 368 W HN -0.114 nan 8.180 nan 0.000 0.648 369 S N 2.224 118.072 115.700 0.246 0.000 2.533 369 S HA 0.332 4.802 4.470 0.001 0.000 0.282 369 S C 0.258 174.833 174.600 -0.042 0.000 1.304 369 S CA -0.170 58.106 58.200 0.126 0.000 1.063 369 S CB 0.482 63.734 63.200 0.087 0.000 0.881 369 S HN -0.006 nan 8.310 nan 0.000 0.493 370 R N 2.397 122.815 120.500 -0.136 0.000 2.771 370 R HA 0.537 4.877 4.340 0.001 0.000 0.274 370 R C -2.775 173.446 176.300 -0.131 0.000 0.987 370 R CA -2.227 53.686 56.100 -0.312 0.000 0.908 370 R CB 0.721 30.485 30.300 -0.894 0.000 1.213 370 R HN 0.385 nan 8.270 nan 0.000 0.468 371 P HA 0.321 nan 4.420 nan 0.000 0.272 371 P C -1.118 176.147 177.300 -0.058 0.000 1.240 371 P CA -0.357 62.680 63.100 -0.105 0.000 0.791 371 P CB 0.787 32.452 31.700 -0.057 0.000 0.978 372 A N 1.556 124.354 122.820 -0.036 0.000 2.455 372 A HA 0.686 5.006 4.320 0.001 0.000 0.300 372 A C -0.812 176.832 177.584 0.099 0.000 1.040 372 A CA -0.729 51.333 52.037 0.041 0.000 0.697 372 A CB 1.095 20.102 19.000 0.011 0.000 1.265 372 A HN 0.436 nan 8.150 nan 0.000 0.407 373 I N 2.001 122.690 120.570 0.198 0.000 2.418 373 I HA 0.459 4.629 4.170 0.001 0.000 0.287 373 I C -0.137 176.202 176.117 0.370 0.000 1.008 373 I CA -0.440 61.005 61.300 0.242 0.000 1.104 373 I CB 1.927 40.054 38.000 0.212 0.000 1.264 373 I HN 0.733 nan 8.210 nan 0.000 0.438 374 R N 6.606 127.303 120.500 0.329 0.000 2.803 374 R HA 0.758 5.098 4.340 0.001 0.000 0.276 374 R C -0.878 175.675 176.300 0.423 0.000 0.978 374 R CA -0.788 55.539 56.100 0.379 0.000 0.939 374 R CB 2.623 33.132 30.300 0.348 0.000 1.179 374 R HN 0.589 nan 8.270 nan 0.000 0.472 375 I N -0.400 120.419 120.570 0.416 0.000 2.466 375 I HA 0.649 4.819 4.170 0.001 0.000 0.289 375 I C -0.942 175.377 176.117 0.336 0.000 1.026 375 I CA -0.873 60.615 61.300 0.313 0.000 1.078 375 I CB 1.283 39.464 38.000 0.301 0.000 1.249 375 I HN 0.568 nan 8.210 nan 0.000 0.429 376 F N 3.854 123.978 119.950 0.291 0.000 2.675 376 F HA 1.008 5.536 4.527 0.001 0.000 0.324 376 F C -1.019 175.005 175.800 0.373 0.000 1.106 376 F CA -1.274 56.898 58.000 0.288 0.000 0.970 376 F CB 1.549 40.704 39.000 0.259 0.000 1.385 376 F HN 0.666 nan 8.300 nan 0.000 0.489 377 A N 0.878 124.077 122.820 0.631 0.000 2.437 377 A HA 0.711 5.032 4.320 0.001 0.000 0.293 377 A C -1.281 176.706 177.584 0.670 0.000 1.038 377 A CA -0.551 51.866 52.037 0.632 0.000 0.708 377 A CB 1.231 20.497 19.000 0.444 0.000 1.251 377 A HN 0.831 nan 8.150 nan 0.000 0.409 378 T N 1.727 116.730 114.554 0.749 0.000 2.863 378 T HA 0.605 4.955 4.350 0.001 0.000 0.285 378 T C -1.521 173.565 174.700 0.643 0.000 1.009 378 T CA -0.143 62.328 62.100 0.619 0.000 0.989 378 T CB 1.072 70.289 68.868 0.580 0.000 1.004 378 T HN 0.616 nan 8.240 nan 0.000 0.455 379 Y N 1.866 122.377 120.300 0.350 0.000 2.391 379 Y HA 0.677 5.228 4.550 0.001 0.000 0.341 379 Y C -1.101 174.836 175.900 0.063 0.000 0.965 379 Y CA -0.994 57.245 58.100 0.231 0.000 1.067 379 Y CB 1.134 39.700 38.460 0.178 0.000 1.199 379 Y HN 0.808 nan 8.280 nan 0.000 0.450 380 A N 5.442 127.746 122.820 -0.860 0.000 2.393 380 A HA 0.758 5.079 4.320 0.001 0.000 0.306 380 A C -1.727 175.252 177.584 -1.008 0.000 1.050 380 A CA -0.875 50.707 52.037 -0.759 0.000 0.724 380 A CB 1.475 20.055 19.000 -0.700 0.000 1.248 380 A HN 0.601 nan 8.150 nan 0.000 0.424 381 K N 1.604 121.481 120.400 -0.872 0.000 2.443 381 K HA 0.700 5.021 4.320 0.001 0.000 0.252 381 K C -1.551 174.835 176.600 -0.358 0.000 0.933 381 K CA -0.372 55.423 56.287 -0.821 0.000 0.792 381 K CB 0.924 32.919 32.500 -0.842 0.000 1.185 381 K HN 0.904 nan 8.250 nan 0.000 0.425 382 W N 1.463 122.598 121.300 -0.274 0.000 3.031 382 W HA 0.631 5.292 4.660 0.001 0.000 0.337 382 W C -1.372 175.107 176.519 -0.066 0.000 1.187 382 W CA -0.827 56.432 57.345 -0.143 0.000 1.166 382 W CB 1.191 30.569 29.460 -0.138 0.000 1.437 382 W HN 0.554 nan 8.180 nan 0.000 0.551 383 D N 1.206 121.733 120.400 0.212 0.000 2.336 383 D HA 0.214 4.855 4.640 0.001 0.000 0.248 383 D C -1.301 175.090 176.300 0.152 0.000 1.326 383 D CA -0.227 53.855 54.000 0.137 0.000 0.973 383 D CB 0.881 41.744 40.800 0.104 0.000 1.255 383 D HN 0.486 nan 8.370 nan 0.000 0.558 384 E N 3.102 123.392 120.200 0.151 0.000 2.109 384 E HA 0.222 4.573 4.350 0.001 0.000 0.278 384 E C 0.519 177.140 176.600 0.035 0.000 0.954 384 E CA -0.753 55.660 56.400 0.021 0.000 0.779 384 E CB 1.711 31.363 29.700 -0.080 0.000 1.093 384 E HN 0.174 nan 8.360 nan 0.000 0.401 385 K N 2.256 122.708 120.400 0.087 0.000 2.400 385 K HA 0.064 4.384 4.320 0.001 0.000 0.194 385 K C 0.267 177.012 176.600 0.243 0.000 1.033 385 K CA 0.437 56.823 56.287 0.166 0.000 1.021 385 K CB 0.385 33.014 32.500 0.215 0.000 0.808 385 K HN 0.594 nan 8.250 nan 0.000 0.505 386 W N -0.921 120.376 121.300 -0.004 0.000 3.075 386 W HA 0.649 5.309 4.660 0.001 0.000 0.334 386 W C -0.792 175.673 176.519 -0.089 0.000 1.243 386 W CA -1.126 56.191 57.345 -0.046 0.000 1.170 386 W CB 0.655 30.071 29.460 -0.072 0.000 1.452 386 W HN -0.084 nan 8.180 nan 0.000 0.572 387 G N 0.275 109.125 108.800 0.083 0.000 2.660 387 G HA2 0.557 4.517 3.960 0.001 0.000 0.290 387 G HA3 0.557 4.517 3.960 0.001 0.000 0.290 387 G C -2.678 172.237 174.900 0.026 0.000 1.432 387 G CA -1.013 43.982 45.100 -0.175 0.000 0.807 387 G HN 0.418 nan 8.290 nan 0.000 0.485 388 Y N 0.227 120.622 120.300 0.157 0.000 2.319 388 Y HA 0.353 4.904 4.550 0.001 0.000 0.328 388 Y C 1.402 177.385 175.900 0.138 0.000 1.133 388 Y CA -0.221 57.999 58.100 0.199 0.000 1.265 388 Y CB 0.933 39.477 38.460 0.140 0.000 1.218 388 Y HN 0.248 nan 8.280 nan 0.000 0.508 389 I N 4.081 124.832 120.570 0.302 0.000 2.769 389 I HA -0.102 4.068 4.170 0.001 0.000 0.285 389 I C 0.420 176.642 176.117 0.175 0.000 1.173 389 I CA 0.402 61.825 61.300 0.206 0.000 1.389 389 I CB 0.114 38.234 38.000 0.200 0.000 1.404 389 I HN 0.451 nan 8.210 nan 0.000 0.544 390 K N 6.074 126.551 120.400 0.127 0.000 2.220 390 K HA 0.039 4.360 4.320 0.001 0.000 0.283 390 K C -0.108 176.537 176.600 0.076 0.000 1.098 390 K CA -0.363 55.980 56.287 0.094 0.000 0.928 390 K CB 0.111 32.653 32.500 0.070 0.000 1.214 390 K HN 0.424 nan 8.250 nan 0.000 0.442 391 D N 4.251 124.697 120.400 0.077 0.000 2.545 391 D HA 0.169 4.809 4.640 0.001 0.000 0.227 391 D C 0.989 177.316 176.300 0.045 0.000 1.150 391 D CA 1.148 55.185 54.000 0.061 0.000 1.046 391 D CB -0.073 40.767 40.800 0.067 0.000 1.098 391 D HN 0.773 nan 8.370 nan 0.000 0.502 392 G N 3.892 112.715 108.800 0.040 0.000 4.766 392 G HA2 -0.449 3.511 3.960 0.001 0.000 0.314 392 G HA3 -0.449 3.511 3.960 0.001 0.000 0.314 392 G C 0.905 175.823 174.900 0.030 0.000 1.427 392 G CA 0.514 45.633 45.100 0.032 0.000 1.024 392 G HN 0.552 nan 8.290 nan 0.000 0.754 393 D N 0.303 120.720 120.400 0.028 0.000 2.461 393 D HA 0.159 4.800 4.640 0.001 0.000 0.266 393 D C 0.663 176.976 176.300 0.022 0.000 1.085 393 D CA 0.220 54.233 54.000 0.023 0.000 0.887 393 D CB 0.170 40.981 40.800 0.018 0.000 1.309 393 D HN 0.327 nan 8.370 nan 0.000 0.498 394 N N 0.787 119.503 118.700 0.026 0.000 2.529 394 N HA 0.214 4.954 4.740 0.001 0.000 0.278 394 N C -0.629 174.902 175.510 0.034 0.000 1.146 394 N CA -0.151 52.912 53.050 0.022 0.000 0.980 394 N CB 1.272 39.773 38.487 0.024 0.000 1.124 394 N HN 0.093 nan 8.380 nan 0.000 0.458 395 I N 0.485 121.068 120.570 0.020 0.000 2.365 395 I HA 0.095 4.266 4.170 0.001 0.000 0.291 395 I C 1.048 177.186 176.117 0.035 0.000 1.004 395 I CA 0.032 61.355 61.300 0.039 0.000 1.311 395 I CB 1.132 39.135 38.000 0.005 0.000 1.401 395 I HN 0.350 nan 8.210 nan 0.000 0.491 396 S N 4.786 120.551 115.700 0.109 0.000 2.669 396 S HA 0.386 4.856 4.470 0.001 0.000 0.270 396 S C 1.249 175.905 174.600 0.095 0.000 1.225 396 S CA -0.410 57.869 58.200 0.131 0.000 0.991 396 S CB 0.725 64.071 63.200 0.243 0.000 0.987 396 S HN 0.605 nan 8.310 nan 0.000 0.552 397 R N 0.120 120.616 120.500 -0.008 0.000 2.275 397 R HA 0.089 4.429 4.340 0.001 0.000 0.199 397 R C -0.387 175.877 176.300 -0.061 0.000 0.989 397 R CA 0.525 56.544 56.100 -0.135 0.000 1.016 397 R CB -0.076 30.014 30.300 -0.351 0.000 0.918 397 R HN 0.526 nan 8.270 nan 0.000 0.473 398 Y N 0.287 120.731 120.300 0.240 0.000 2.310 398 Y HA 0.428 4.978 4.550 0.001 0.000 0.326 398 Y C 0.540 176.590 175.900 0.250 0.000 1.151 398 Y CA -0.942 57.281 58.100 0.204 0.000 1.195 398 Y CB 1.063 39.593 38.460 0.116 0.000 1.210 398 Y HN -0.034 nan 8.280 nan 0.000 0.483 399 A N 1.615 124.604 122.820 0.283 0.000 2.322 399 A HA 0.974 5.295 4.320 0.001 0.000 0.327 399 A C -1.041 176.633 177.584 0.149 0.000 1.134 399 A CA -0.295 51.838 52.037 0.160 0.000 0.831 399 A CB 1.032 19.992 19.000 -0.067 0.000 1.288 399 A HN 0.915 nan 8.150 nan 0.000 0.472 400 A N -0.261 122.655 122.820 0.161 0.000 2.547 400 A HA 0.753 5.073 4.320 0.001 0.000 0.297 400 A C -0.087 177.590 177.584 0.156 0.000 1.056 400 A CA 0.006 52.119 52.037 0.127 0.000 0.688 400 A CB 0.743 19.810 19.000 0.112 0.000 1.282 400 A HN 2.425 nan 8.150 nan 0.000 0.400 401 A N 1.069 123.964 122.820 0.125 0.000 2.498 401 A HA 0.472 4.792 4.320 0.001 0.000 0.239 401 A C 1.322 178.979 177.584 0.120 0.000 1.068 401 A CA 0.749 52.872 52.037 0.144 0.000 0.766 401 A CB -0.420 18.641 19.000 0.103 0.000 1.003 401 A HN 1.177 nan 8.150 nan 0.000 0.497 402 T N 1.972 116.599 114.554 0.122 0.000 2.699 402 T HA -0.250 4.100 4.350 0.001 0.000 0.268 402 T C 1.766 176.509 174.700 0.072 0.000 1.036 402 T CA 2.363 64.514 62.100 0.086 0.000 1.147 402 T CB -0.506 68.409 68.868 0.078 0.000 0.862 402 T HN 0.977 nan 8.240 nan 0.000 0.446 403 N N 2.199 120.941 118.700 0.071 0.000 2.188 403 N HA -0.073 4.668 4.740 0.001 0.000 0.184 403 N C 0.883 176.423 175.510 0.051 0.000 1.018 403 N CA 0.853 53.937 53.050 0.057 0.000 0.858 403 N CB -0.816 37.704 38.487 0.054 0.000 0.989 403 N HN 0.427 nan 8.380 nan 0.000 0.426 404 S N -0.868 114.865 115.700 0.055 0.000 2.544 404 S HA 0.210 4.681 4.470 0.001 0.000 0.290 404 S C 1.434 176.062 174.600 0.046 0.000 1.276 404 S CA -0.348 57.880 58.200 0.047 0.000 1.075 404 S CB 0.526 63.756 63.200 0.050 0.000 0.849 404 S HN 0.486 nan 8.310 nan 0.000 0.494 405 G N 3.195 112.018 108.800 0.038 0.000 2.621 405 G HA2 -0.072 3.889 3.960 0.001 0.000 0.215 405 G HA3 -0.072 3.889 3.960 0.001 0.000 0.215 405 G C 0.457 175.380 174.900 0.038 0.000 1.127 405 G CA 0.102 45.223 45.100 0.036 0.000 0.747 405 G HN 0.833 nan 8.290 nan 0.000 0.561 406 I N 0.599 121.195 120.570 0.044 0.000 2.634 406 I HA 0.071 4.242 4.170 0.001 0.000 0.284 406 I C 0.786 176.937 176.117 0.056 0.000 1.124 406 I CA -0.188 61.141 61.300 0.048 0.000 1.417 406 I CB 1.310 39.342 38.000 0.054 0.000 1.396 406 I HN -0.075 nan 8.210 nan 0.000 0.571 407 S N 4.584 120.316 115.700 0.054 0.000 2.430 407 S HA 0.252 4.722 4.470 0.001 0.000 0.282 407 S C 0.071 174.715 174.600 0.072 0.000 1.186 407 S CA -0.591 57.643 58.200 0.056 0.000 1.060 407 S CB -0.319 62.910 63.200 0.048 0.000 0.966 407 S HN 0.759 nan 8.310 nan 0.000 0.501 408 T N 1.912 116.509 114.554 0.071 0.000 2.910 408 T HA 0.449 4.799 4.350 0.001 0.000 0.287 408 T C 0.488 175.223 174.700 0.059 0.000 1.050 408 T CA -0.962 61.189 62.100 0.085 0.000 1.011 408 T CB 0.932 69.851 68.868 0.086 0.000 1.195 408 T HN 0.500 nan 8.240 nan 0.000 0.540 409 N N -0.253 118.481 118.700 0.057 0.000 2.295 409 N HA 0.093 4.834 4.740 0.001 0.000 0.221 409 N C 0.210 175.694 175.510 -0.043 0.000 1.129 409 N CA -0.401 52.661 53.050 0.020 0.000 0.836 409 N CB -0.185 38.327 38.487 0.041 0.000 1.040 409 N HN 0.511 nan 8.380 nan 0.000 0.494 410 S N 0.555 116.224 115.700 -0.053 0.000 2.560 410 S HA 0.133 4.604 4.470 0.001 0.000 0.284 410 S C 1.004 175.580 174.600 -0.041 0.000 1.327 410 S CA -0.409 57.731 58.200 -0.099 0.000 1.055 410 S CB 0.634 63.796 63.200 -0.064 0.000 0.868 410 S HN 0.399 nan 8.310 nan 0.000 0.506 411 R N 3.162 123.627 120.500 -0.057 0.000 2.317 411 R HA 0.272 4.613 4.340 0.001 0.000 0.208 411 R C 1.560 178.026 176.300 0.277 0.000 0.914 411 R CA 0.436 56.562 56.100 0.042 0.000 1.060 411 R CB -0.416 29.748 30.300 -0.227 0.000 1.015 411 R HN 0.948 nan 8.270 nan 0.000 0.498 412 G N 1.289 110.201 108.800 0.187 0.000 2.539 412 G HA2 -0.303 3.657 3.960 0.001 0.000 0.256 412 G HA3 -0.303 3.657 3.960 0.001 0.000 0.256 412 G C -1.065 173.965 174.900 0.216 0.000 1.233 412 G CA 0.003 45.210 45.100 0.180 0.000 0.936 412 G HN 0.336 nan 8.290 nan 0.000 0.571 413 D N 0.395 120.836 120.400 0.068 0.000 2.425 413 D HA 0.657 5.297 4.640 0.001 0.000 0.240 413 D C -0.094 176.040 176.300 -0.277 0.000 1.080 413 D CA 0.718 54.665 54.000 -0.088 0.000 0.836 413 D CB 1.343 42.119 40.800 -0.041 0.000 1.125 413 D HN 0.750 nan 8.370 nan 0.000 0.525 414 S N 2.689 117.931 115.700 -0.763 0.000 2.694 414 S HA 0.539 5.009 4.470 0.001 0.000 0.273 414 S C -2.238 171.447 174.600 -1.525 0.000 1.180 414 S CA -0.575 57.105 58.200 -0.867 0.000 0.864 414 S CB 1.126 64.010 63.200 -0.528 0.000 1.198 414 S HN 0.668 nan 8.310 nan 0.000 0.499 415 D N 0.405 120.105 120.400 -1.166 0.000 2.615 415 D HA 0.792 5.432 4.640 0.001 0.000 0.267 415 D C -0.923 175.057 176.300 -0.533 0.000 1.236 415 D CA -0.273 53.076 54.000 -1.085 0.000 0.839 415 D CB 1.402 41.848 40.800 -0.590 0.000 1.380 415 D HN 0.511 nan 8.370 nan 0.000 0.433 416 E N -0.954 119.022 120.200 -0.373 0.000 2.409 416 E HA 0.604 4.955 4.350 0.001 0.000 0.280 416 E C -1.855 174.844 176.600 0.164 0.000 1.079 416 E CA -0.824 55.597 56.400 0.034 0.000 0.840 416 E CB 1.216 31.031 29.700 0.192 0.000 1.309 416 E HN 0.595 nan 8.360 nan 0.000 0.447 417 W N 1.823 123.268 121.300 0.241 0.000 3.127 417 W HA 0.795 5.455 4.660 0.001 0.000 0.330 417 W C -1.344 175.465 176.519 0.484 0.000 1.187 417 W CA -0.528 57.042 57.345 0.376 0.000 1.198 417 W CB 0.654 30.362 29.460 0.413 0.000 1.408 417 W HN 0.689 nan 8.180 nan 0.000 0.529 418 T N 0.180 115.045 114.554 0.518 0.000 2.865 418 T HA 0.881 5.232 4.350 0.001 0.000 0.294 418 T C -1.097 173.923 174.700 0.533 0.000 1.119 418 T CA -0.606 61.656 62.100 0.271 0.000 1.007 418 T CB 2.547 71.609 68.868 0.324 0.000 1.225 418 T HN 0.880 nan 8.240 nan 0.000 0.515 419 F N -2.216 117.844 119.950 0.184 0.000 2.693 419 F HA 0.915 5.443 4.527 0.001 0.000 0.309 419 F C -0.210 175.463 175.800 -0.212 0.000 1.129 419 F CA -0.431 57.550 58.000 -0.030 0.000 0.948 419 F CB 1.259 40.346 39.000 0.144 0.000 1.315 419 F HN 1.165 nan 8.300 nan 0.000 0.447 420 G N -0.055 108.367 108.800 -0.630 0.000 2.336 420 G HA2 0.685 4.645 3.960 0.001 0.000 0.286 420 G HA3 0.685 4.645 3.960 0.001 0.000 0.286 420 G C -2.337 172.365 174.900 -0.330 0.000 1.269 420 G CA -0.240 44.695 45.100 -0.275 0.000 0.873 420 G HN 1.597 nan 8.290 nan 0.000 0.494 421 A N -0.750 122.093 122.820 0.039 0.000 2.413 421 A HA 0.943 5.263 4.320 0.001 0.000 0.307 421 A C -0.485 177.263 177.584 0.273 0.000 1.087 421 A CA -0.267 51.884 52.037 0.190 0.000 0.750 421 A CB 2.182 21.284 19.000 0.171 0.000 1.296 421 A HN 0.996 nan 8.150 nan 0.000 0.423 422 Q N 0.199 120.180 119.800 0.302 0.000 2.472 422 Q HA 0.590 4.930 4.340 0.001 0.000 0.281 422 Q C -1.950 174.154 176.000 0.173 0.000 0.997 422 Q CA -0.682 55.262 55.803 0.234 0.000 0.828 422 Q CB 2.002 30.910 28.738 0.284 0.000 1.443 422 Q HN 1.043 nan 8.270 nan 0.000 0.390 423 M N 0.436 120.101 119.600 0.107 0.000 2.535 423 M HA 0.682 5.163 4.480 0.001 0.000 0.314 423 M C -1.303 175.016 176.300 0.032 0.000 1.153 423 M CA -0.317 55.022 55.300 0.065 0.000 0.924 423 M CB 2.101 34.717 32.600 0.027 0.000 1.710 423 M HN 0.493 nan 8.290 nan 0.000 0.451 424 E N 2.418 122.613 120.200 -0.008 0.000 2.331 424 E HA 0.796 5.146 4.350 0.001 0.000 0.275 424 E C -2.063 174.434 176.600 -0.172 0.000 0.895 424 E CA -0.812 55.547 56.400 -0.069 0.000 0.753 424 E CB 2.381 32.095 29.700 0.024 0.000 1.216 424 E HN 0.948 nan 8.360 nan 0.000 0.434 425 I N 3.686 124.117 120.570 -0.232 0.000 2.842 425 I HA 0.513 4.683 4.170 0.001 0.000 0.297 425 I C -2.126 174.039 176.117 0.080 0.000 1.380 425 I CA -0.695 60.505 61.300 -0.167 0.000 1.018 425 I CB 1.173 39.152 38.000 -0.035 0.000 1.311 425 I HN 0.710 nan 8.210 nan 0.000 0.439 426 W N 5.857 127.328 121.300 0.285 0.000 2.915 426 W HA 0.816 5.477 4.660 0.001 0.000 0.337 426 W C -1.737 174.971 176.519 0.315 0.000 1.102 426 W CA -1.025 56.473 57.345 0.255 0.000 1.224 426 W CB -0.116 29.478 29.460 0.223 0.000 1.416 426 W HN 0.672 nan 8.180 nan 0.000 0.503 427 W N 0.000 121.460 121.300 0.267 0.000 2.388 427 W HA 0.000 4.660 4.660 0.001 0.000 0.303 427 W CA 0.000 57.452 57.345 0.179 0.000 1.226 427 W CB 0.000 29.461 29.460 0.001 0.000 1.126 427 W HN 0.000 nan 8.180 nan 0.000 0.535