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 3nig_1_D DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKGSGDSSQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc RcGPGWLGSQ c 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.890 174.900 -0.017 0.000 0.946 1 G CA 0.000 45.088 45.100 -0.020 0.000 0.502 2 P HA 0.461 nan 4.420 nan 0.000 0.275 2 P C -0.538 176.760 177.300 -0.003 0.000 1.227 2 P CA -0.398 62.698 63.100 -0.007 0.000 0.781 2 P CB 1.302 32.999 31.700 -0.005 0.000 0.906 3 N N 0.752 119.453 118.700 0.001 0.000 3.395 3 N HA 0.045 4.785 4.740 0.000 0.000 0.293 3 N C 0.293 175.810 175.510 0.013 0.000 1.489 3 N CA -0.829 52.225 53.050 0.006 0.000 0.871 3 N CB -0.172 38.318 38.487 0.005 0.000 1.649 3 N HN 0.249 nan 8.380 nan 0.000 0.501 4 I N -2.843 117.739 120.570 0.019 0.000 3.111 4 I HA 0.146 4.316 4.170 0.000 0.000 0.272 4 I C 0.852 176.989 176.117 0.034 0.000 1.268 4 I CA 0.320 61.635 61.300 0.025 0.000 1.467 4 I CB -0.449 37.567 38.000 0.027 0.000 1.087 4 I HN 0.387 nan 8.210 nan 0.000 0.467 5 c N 1.652 120.274 118.600 0.036 0.000 2.467 5 c HA -0.047 4.523 4.570 0.000 0.000 0.279 5 c C 3.062 177.177 174.090 0.043 0.000 1.347 5 c CA 1.431 57.791 56.329 0.050 0.000 1.748 5 c CB -1.025 41.515 42.510 0.049 0.000 1.977 5 c HN 0.723 nan 8.230 nan 0.000 0.501 6 T N -0.668 113.899 114.554 0.022 0.000 2.866 6 T HA -0.118 4.232 4.350 0.000 0.000 0.250 6 T C 1.801 176.512 174.700 0.018 0.000 1.033 6 T CA 2.007 64.114 62.100 0.013 0.000 1.145 6 T CB -1.207 67.660 68.868 -0.003 0.000 0.866 6 T HN 0.543 nan 8.240 nan 0.000 0.434 7 T N 0.605 115.168 114.554 0.016 0.000 2.822 7 T HA -0.105 4.245 4.350 0.000 0.000 0.270 7 T C 2.145 176.858 174.700 0.022 0.000 1.064 7 T CA 0.620 62.730 62.100 0.016 0.000 1.131 7 T CB -0.494 68.382 68.868 0.013 0.000 0.858 7 T HN 0.141 nan 8.240 nan 0.000 0.483 8 R N 1.744 122.262 120.500 0.030 0.000 2.081 8 R HA 0.084 4.424 4.340 0.000 0.000 0.235 8 R C 1.940 178.264 176.300 0.040 0.000 1.131 8 R CA 1.042 57.164 56.100 0.036 0.000 0.960 8 R CB -1.492 28.835 30.300 0.045 0.000 0.856 8 R HN 0.705 nan 8.270 nan 0.000 0.436 9 G N 1.784 110.612 108.800 0.047 0.000 2.374 9 G HA2 -0.223 3.737 3.960 0.000 0.000 0.289 9 G HA3 -0.223 3.737 3.960 0.000 0.000 0.289 9 G C 0.249 175.191 174.900 0.070 0.000 1.004 9 G CA 0.440 45.572 45.100 0.052 0.000 1.292 9 G HN 0.314 nan 8.290 nan 0.000 0.502 10 V N -1.126 118.852 119.914 0.107 0.000 2.953 10 V HA 0.778 4.898 4.120 0.000 0.000 0.304 10 V C 1.184 177.357 176.094 0.132 0.000 1.073 10 V CA 0.518 62.885 62.300 0.111 0.000 1.064 10 V CB 1.629 33.534 31.823 0.136 0.000 1.047 10 V HN 0.583 nan 8.190 nan 0.000 0.478 11 S N 1.292 117.034 115.700 0.070 0.000 2.503 11 S HA 0.214 4.684 4.470 0.000 0.000 0.217 11 S C 0.717 175.329 174.600 0.020 0.000 0.999 11 S CA 0.415 58.649 58.200 0.057 0.000 0.914 11 S CB -0.221 62.988 63.200 0.016 0.000 0.782 11 S HN 1.355 nan 8.310 nan 0.000 0.520 12 S N -1.166 114.474 115.700 -0.100 0.000 2.588 12 S HA 0.322 4.792 4.470 0.000 0.000 0.269 12 S C 0.508 174.597 174.600 -0.852 0.000 1.157 12 S CA -0.518 57.447 58.200 -0.392 0.000 0.824 12 S CB 0.794 63.834 63.200 -0.267 0.000 1.126 12 S HN 0.088 nan 8.310 nan 0.000 0.464 13 c N 0.753 118.506 118.600 -1.412 0.000 2.413 13 c HA -0.063 4.507 4.570 0.000 0.000 0.277 13 c C 2.639 176.362 174.090 -0.612 0.000 1.265 13 c CA 1.966 57.335 56.329 -1.600 0.000 1.752 13 c CB -1.567 40.069 42.510 -1.457 0.000 1.998 13 c HN 1.000 nan 8.230 nan 0.000 0.489 14 Q N -0.345 119.202 119.800 -0.421 0.000 2.083 14 Q HA -0.229 4.111 4.340 0.000 0.000 0.198 14 Q C 2.347 178.261 176.000 -0.143 0.000 0.969 14 Q CA 1.688 57.360 55.803 -0.218 0.000 0.838 14 Q CB -0.383 28.251 28.738 -0.173 0.000 0.900 14 Q HN 0.794 nan 8.270 nan 0.000 0.436 15 Q N -0.290 119.422 119.800 -0.148 0.000 2.096 15 Q HA -0.215 4.125 4.340 0.000 0.000 0.204 15 Q C 2.308 178.296 176.000 -0.020 0.000 0.982 15 Q CA 1.619 57.380 55.803 -0.069 0.000 0.850 15 Q CB -0.321 28.383 28.738 -0.058 0.000 0.901 15 Q HN 0.590 nan 8.270 nan 0.000 0.422 16 c N 0.234 118.824 118.600 -0.016 0.000 2.388 16 c HA -0.169 4.401 4.570 0.000 0.000 0.277 16 c C 2.500 176.645 174.090 0.092 0.000 1.210 16 c CA 1.072 57.467 56.329 0.109 0.000 1.743 16 c CB -1.186 41.499 42.510 0.292 0.000 2.047 16 c HN 0.625 nan 8.230 nan 0.000 0.458 17 L N 1.244 122.499 121.223 0.052 0.000 2.131 17 L HA -0.090 4.250 4.340 0.000 0.000 0.210 17 L C 2.934 179.827 176.870 0.038 0.000 1.092 17 L CA 1.663 56.538 54.840 0.058 0.000 0.759 17 L CB -0.889 41.183 42.059 0.022 0.000 0.903 17 L HN 0.489 nan 8.230 nan 0.000 0.435 18 A N -0.468 122.361 122.820 0.014 0.000 2.168 18 A HA -0.027 4.293 4.320 0.000 0.000 0.215 18 A C 2.306 179.903 177.584 0.022 0.000 1.152 18 A CA 0.806 52.848 52.037 0.009 0.000 0.716 18 A CB -0.455 18.539 19.000 -0.010 0.000 0.794 18 A HN 0.196 nan 8.150 nan 0.000 0.465 19 V N -0.777 119.159 119.914 0.037 0.000 2.270 19 V HA -0.031 4.089 4.120 0.000 0.000 0.245 19 V C 1.257 177.377 176.094 0.044 0.000 1.043 19 V CA 1.903 64.228 62.300 0.042 0.000 1.014 19 V CB -0.362 31.495 31.823 0.057 0.000 0.645 19 V HN 0.647 nan 8.190 nan 0.000 0.447 20 S N -2.574 113.161 115.700 0.059 0.000 2.565 20 S HA 0.371 4.841 4.470 0.000 0.000 0.274 20 S C -2.711 171.938 174.600 0.083 0.000 1.144 20 S CA -0.650 57.587 58.200 0.061 0.000 0.849 20 S CB 1.794 65.030 63.200 0.061 0.000 1.103 20 S HN 0.022 nan 8.310 nan 0.000 0.455 21 P HA 0.014 nan 4.420 nan 0.000 0.228 21 P C 1.264 178.659 177.300 0.158 0.000 1.151 21 P CA 0.849 63.991 63.100 0.070 0.000 0.770 21 P CB -0.177 31.546 31.700 0.038 0.000 0.786 22 M N -3.977 115.733 119.600 0.182 0.000 2.556 22 M HA 0.152 4.632 4.480 0.000 0.000 0.245 22 M C 0.197 176.660 176.300 0.272 0.000 1.128 22 M CA 0.472 55.924 55.300 0.253 0.000 1.069 22 M CB -0.729 31.951 32.600 0.133 0.000 1.469 22 M HN -0.287 nan 8.290 nan 0.000 0.494 23 c N 3.048 121.791 118.600 0.239 0.000 2.652 23 c HA 0.743 5.313 4.570 0.000 0.000 0.412 23 c C 0.931 175.208 174.090 0.311 0.000 1.294 23 c CA -0.402 56.047 56.329 0.200 0.000 2.127 23 c CB 0.211 42.817 42.510 0.161 0.000 2.691 23 c HN 0.622 nan 8.230 nan 0.000 0.615 24 A N 3.331 126.267 122.820 0.193 0.000 2.469 24 A HA 0.856 5.176 4.320 0.000 0.000 0.299 24 A C -1.344 176.382 177.584 0.237 0.000 1.098 24 A CA -0.413 51.763 52.037 0.231 0.000 0.737 24 A CB 1.291 20.245 19.000 -0.076 0.000 1.312 24 A HN 0.971 nan 8.150 nan 0.000 0.414 25 W N 1.549 122.885 121.300 0.060 0.000 2.785 25 W HA 0.532 5.192 4.660 0.000 0.000 0.333 25 W C -1.515 175.011 176.519 0.011 0.000 1.062 25 W CA -0.769 56.591 57.345 0.025 0.000 1.233 25 W CB 1.716 31.192 29.460 0.025 0.000 1.413 25 W HN 0.901 nan 8.180 nan 0.000 0.489 26 c N 5.647 123.847 118.600 -0.667 0.000 2.281 26 c HA 0.476 5.046 4.570 0.000 0.000 0.325 26 c C 1.141 174.866 174.090 -0.609 0.000 1.282 26 c CA -0.124 55.935 56.329 -0.449 0.000 1.640 26 c CB 0.205 42.507 42.510 -0.348 0.000 2.288 26 c HN 0.601 nan 8.230 nan 0.000 0.507 27 S N 2.240 117.875 115.700 -0.108 0.000 2.574 27 S HA 0.135 4.605 4.470 0.000 0.000 0.242 27 S C -0.193 174.420 174.600 0.021 0.000 0.982 27 S CA -0.258 57.991 58.200 0.081 0.000 0.977 27 S CB -0.425 62.945 63.200 0.284 0.000 0.814 27 S HN 0.880 nan 8.310 nan 0.000 0.464 28 D N 2.606 122.982 120.400 -0.041 0.000 2.382 28 D HA 0.082 4.722 4.640 0.000 0.000 0.259 28 D C 0.988 177.296 176.300 0.014 0.000 1.224 28 D CA 0.196 54.189 54.000 -0.010 0.000 0.894 28 D CB 0.664 41.441 40.800 -0.039 0.000 1.127 28 D HN 0.362 nan 8.370 nan 0.000 0.487 29 E N 2.570 122.811 120.200 0.068 0.000 2.338 29 E HA -0.112 4.238 4.350 0.000 0.000 0.197 29 E C 0.720 177.354 176.600 0.056 0.000 1.007 29 E CA 0.612 57.077 56.400 0.108 0.000 0.849 29 E CB 0.100 29.898 29.700 0.164 0.000 0.774 29 E HN 0.463 nan 8.360 nan 0.000 0.506 30 A N 1.133 123.969 122.820 0.027 0.000 2.708 30 A HA 0.213 4.533 4.320 0.000 0.000 0.293 30 A C 0.062 177.640 177.584 -0.010 0.000 1.303 30 A CA -0.405 51.637 52.037 0.009 0.000 0.949 30 A CB -0.059 18.947 19.000 0.009 0.000 1.121 30 A HN 0.091 nan 8.150 nan 0.000 0.542 31 L N 0.921 122.130 121.223 -0.022 0.000 2.349 31 L HA 0.496 4.836 4.340 0.000 0.000 0.275 31 L C -2.278 174.568 176.870 -0.041 0.000 1.115 31 L CA -1.610 53.201 54.840 -0.047 0.000 0.820 31 L CB 0.264 42.272 42.059 -0.086 0.000 1.135 31 L HN 0.066 nan 8.230 nan 0.000 0.445 32 P HA -0.112 nan 4.420 nan 0.000 0.264 32 P C 0.458 177.736 177.300 -0.037 0.000 1.173 32 P CA -0.047 63.032 63.100 -0.035 0.000 0.761 32 P CB 0.409 32.086 31.700 -0.037 0.000 0.794 33 L N 3.161 124.368 121.223 -0.026 0.000 2.275 33 L HA 0.024 4.364 4.340 0.000 0.000 0.215 33 L C 1.914 178.768 176.870 -0.027 0.000 1.119 33 L CA 2.173 56.999 54.840 -0.023 0.000 0.790 33 L CB -1.168 40.882 42.059 -0.015 0.000 0.919 33 L HN 0.534 nan 8.230 nan 0.000 0.443 34 G N -1.833 106.950 108.800 -0.030 0.000 2.683 34 G HA2 -0.076 3.884 3.960 0.000 0.000 0.213 34 G HA3 -0.076 3.884 3.960 0.000 0.000 0.213 34 G C 0.785 175.660 174.900 -0.041 0.000 1.142 34 G CA 0.352 45.434 45.100 -0.030 0.000 0.793 34 G HN 0.338 nan 8.290 nan 0.000 0.534 35 S N 1.576 117.243 115.700 -0.055 0.000 2.549 35 S HA 0.425 4.895 4.470 0.000 0.000 0.279 35 S C -2.254 172.289 174.600 -0.096 0.000 1.321 35 S CA -1.034 57.122 58.200 -0.073 0.000 1.054 35 S CB 1.065 64.216 63.200 -0.082 0.000 0.899 35 S HN 0.022 nan 8.310 nan 0.000 0.497 36 P HA 0.303 nan 4.420 nan 0.000 0.276 36 P C 0.252 177.432 177.300 -0.200 0.000 1.235 36 P CA -0.328 62.705 63.100 -0.112 0.000 0.772 36 P CB 0.519 32.174 31.700 -0.074 0.000 0.871 37 R N 1.016 121.333 120.500 -0.304 0.000 2.153 37 R HA 0.053 4.393 4.340 0.000 0.000 0.218 37 R C 0.343 176.323 176.300 -0.534 0.000 1.072 37 R CA 0.565 56.283 56.100 -0.638 0.000 0.990 37 R CB -0.146 29.473 30.300 -1.135 0.000 0.889 37 R HN 0.429 nan 8.270 nan 0.000 0.452 38 c N 2.015 120.506 118.600 -0.182 0.000 2.251 38 c HA 0.418 4.988 4.570 0.000 0.000 0.323 38 c C -0.838 173.255 174.090 0.005 0.000 1.241 38 c CA -0.544 55.812 56.329 0.045 0.000 1.601 38 c CB -0.239 42.400 42.510 0.216 0.000 2.251 38 c HN 0.303 nan 8.230 nan 0.000 0.488 39 D N 2.722 123.116 120.400 -0.009 0.000 2.665 39 D HA 0.372 5.012 4.640 0.000 0.000 0.287 39 D C -0.820 175.453 176.300 -0.046 0.000 1.266 39 D CA -0.415 53.566 54.000 -0.031 0.000 0.830 39 D CB 1.266 42.026 40.800 -0.067 0.000 1.356 39 D HN 0.493 nan 8.370 nan 0.000 0.437 40 L N 1.755 122.941 121.223 -0.062 0.000 2.499 40 L HA 0.098 4.438 4.340 0.000 0.000 0.281 40 L C 2.095 178.848 176.870 -0.195 0.000 1.234 40 L CA 0.134 54.904 54.840 -0.118 0.000 0.839 40 L CB 0.355 42.361 42.059 -0.089 0.000 1.104 40 L HN 0.509 nan 8.230 nan 0.000 0.500 41 K N 1.378 121.559 120.400 -0.364 0.000 2.103 41 K HA -0.197 4.123 4.320 0.000 0.000 0.207 41 K C 1.557 178.025 176.600 -0.220 0.000 1.048 41 K CA 1.765 57.818 56.287 -0.389 0.000 0.930 41 K CB 0.225 32.308 32.500 -0.696 0.000 0.716 41 K HN 0.626 nan 8.250 nan 0.000 0.444 42 E N 0.667 120.760 120.200 -0.179 0.000 2.047 42 E HA -0.144 4.206 4.350 0.000 0.000 0.191 42 E C 1.725 178.270 176.600 -0.092 0.000 0.987 42 E CA 1.409 57.742 56.400 -0.112 0.000 0.799 42 E CB -0.243 29.405 29.700 -0.085 0.000 0.752 42 E HN 0.331 nan 8.360 nan 0.000 0.449 43 N N 0.291 118.936 118.700 -0.092 0.000 2.166 43 N HA -0.110 4.630 4.740 0.000 0.000 0.186 43 N C 1.632 177.092 175.510 -0.083 0.000 1.019 43 N CA 0.798 53.803 53.050 -0.076 0.000 0.856 43 N CB -0.179 38.267 38.487 -0.069 0.000 0.993 43 N HN 0.156 nan 8.380 nan 0.000 0.426 44 L N -0.002 121.160 121.223 -0.103 0.000 2.156 44 L HA -0.026 4.314 4.340 0.000 0.000 0.208 44 L C 1.967 178.784 176.870 -0.089 0.000 1.095 44 L CA 0.642 55.417 54.840 -0.107 0.000 0.770 44 L CB -0.261 41.723 42.059 -0.125 0.000 0.914 44 L HN 0.162 nan 8.230 nan 0.000 0.439 45 L N -0.425 120.749 121.223 -0.082 0.000 2.109 45 L HA -0.166 4.174 4.340 0.000 0.000 0.207 45 L C 2.467 179.306 176.870 -0.052 0.000 1.086 45 L CA 1.128 55.931 54.840 -0.062 0.000 0.760 45 L CB -0.313 41.711 42.059 -0.059 0.000 0.910 45 L HN 0.183 nan 8.230 nan 0.000 0.437 46 K N -0.073 120.296 120.400 -0.053 0.000 2.280 46 K HA -0.138 4.182 4.320 0.000 0.000 0.202 46 K C 0.254 176.828 176.600 -0.043 0.000 1.047 46 K CA 1.019 57.280 56.287 -0.043 0.000 0.942 46 K CB -0.111 32.364 32.500 -0.042 0.000 0.739 46 K HN 0.234 nan 8.250 nan 0.000 0.457 47 D N 0.621 120.990 120.400 -0.052 0.000 2.561 47 D HA 0.064 4.704 4.640 0.000 0.000 0.232 47 D C -0.742 175.527 176.300 -0.051 0.000 1.198 47 D CA -0.052 53.916 54.000 -0.052 0.000 0.826 47 D CB -0.008 40.754 40.800 -0.063 0.000 0.992 47 D HN 0.026 nan 8.370 nan 0.000 0.490 48 N N -0.338 118.336 118.700 -0.043 0.000 2.747 48 N HA -0.208 4.532 4.740 0.000 0.000 0.249 48 N C -0.619 174.866 175.510 -0.042 0.000 1.107 48 N CA 0.275 53.303 53.050 -0.036 0.000 0.707 48 N CB -1.992 36.477 38.487 -0.031 0.000 1.054 48 N HN 0.366 nan 8.380 nan 0.000 0.555 49 c N 0.959 119.527 118.600 -0.052 0.000 2.482 49 c HA 0.657 5.227 4.570 0.000 0.000 0.378 49 c C 1.368 175.436 174.090 -0.037 0.000 1.284 49 c CA -0.466 55.829 56.329 -0.057 0.000 1.826 49 c CB -1.255 41.205 42.510 -0.083 0.000 2.473 49 c HN 0.576 nan 8.230 nan 0.000 0.562 50 A N 8.690 131.495 122.820 -0.024 0.000 2.563 50 A HA 0.190 4.510 4.320 0.000 0.000 0.256 50 A C -1.169 176.411 177.584 -0.006 0.000 1.056 50 A CA -0.284 51.747 52.037 -0.009 0.000 0.775 50 A CB -0.188 18.813 19.000 0.001 0.000 0.973 50 A HN 0.818 nan 8.150 nan 0.000 0.516 51 P HA -0.167 nan 4.420 nan 0.000 0.217 51 P C 0.828 178.139 177.300 0.019 0.000 1.148 51 P CA 1.588 64.690 63.100 0.003 0.000 0.828 51 P CB 0.152 31.854 31.700 0.004 0.000 0.783 52 E N -1.228 118.985 120.200 0.021 0.000 2.427 52 E HA 0.009 4.359 4.350 0.000 0.000 0.196 52 E C 1.365 177.989 176.600 0.040 0.000 1.028 52 E CA 0.507 56.925 56.400 0.031 0.000 0.864 52 E CB -0.272 29.444 29.700 0.027 0.000 0.813 52 E HN 0.190 nan 8.360 nan 0.000 0.514 53 S N 0.337 116.058 115.700 0.035 0.000 2.575 53 S HA 0.168 4.638 4.470 0.000 0.000 0.215 53 S C 0.639 175.278 174.600 0.064 0.000 0.966 53 S CA -0.090 58.138 58.200 0.046 0.000 0.911 53 S CB 0.285 63.500 63.200 0.025 0.000 0.780 53 S HN 0.131 nan 8.310 nan 0.000 0.514 54 I N 2.776 123.382 120.570 0.060 0.000 2.395 54 I HA 0.170 4.340 4.170 0.000 0.000 0.289 54 I C -0.121 176.085 176.117 0.148 0.000 1.023 54 I CA -0.217 61.133 61.300 0.084 0.000 1.350 54 I CB 0.829 38.854 38.000 0.042 0.000 1.409 54 I HN -0.000 nan 8.210 nan 0.000 0.507 55 E N 7.021 127.353 120.200 0.219 0.000 2.113 55 E HA 0.293 4.643 4.350 0.000 0.000 0.273 55 E C -1.116 175.673 176.600 0.316 0.000 0.924 55 E CA -0.413 56.124 56.400 0.228 0.000 0.764 55 E CB 2.220 32.055 29.700 0.225 0.000 1.104 55 E HN 0.382 nan 8.360 nan 0.000 0.406 56 F N 4.342 124.331 119.950 0.065 0.000 3.065 56 F HA 0.275 4.802 4.527 0.000 0.000 0.383 56 F C -2.604 173.218 175.800 0.036 0.000 1.259 56 F CA -2.248 55.784 58.000 0.054 0.000 1.217 56 F CB 0.841 39.869 39.000 0.046 0.000 2.042 56 F HN 0.139 nan 8.300 nan 0.000 0.641 57 P HA 0.223 nan 4.420 nan 0.000 0.265 57 P C -0.896 176.134 177.300 -0.450 0.000 1.193 57 P CA 0.043 63.001 63.100 -0.237 0.000 0.765 57 P CB 1.191 32.811 31.700 -0.133 0.000 0.823 58 V N 3.163 122.885 119.914 -0.320 0.000 2.417 58 V HA 0.169 4.289 4.120 0.000 0.000 0.291 58 V C 0.302 176.302 176.094 -0.157 0.000 1.024 58 V CA -0.531 61.593 62.300 -0.294 0.000 0.861 58 V CB 1.658 33.349 31.823 -0.221 0.000 0.985 58 V HN 0.545 nan 8.190 nan 0.000 0.436 59 S N 4.787 120.410 115.700 -0.128 0.000 2.552 59 S HA 0.231 4.701 4.470 0.000 0.000 0.289 59 S C 0.029 174.595 174.600 -0.058 0.000 1.304 59 S CA -0.133 58.022 58.200 -0.077 0.000 1.063 59 S CB 0.090 63.262 63.200 -0.047 0.000 0.848 59 S HN 0.926 nan 8.310 nan 0.000 0.499 60 E N 0.423 120.591 120.200 -0.053 0.000 2.446 60 E HA 0.784 5.134 4.350 0.000 0.000 0.276 60 E C -1.424 175.152 176.600 -0.040 0.000 0.969 60 E CA -1.451 54.925 56.400 -0.039 0.000 0.800 60 E CB 1.719 31.392 29.700 -0.045 0.000 1.341 60 E HN 0.524 nan 8.360 nan 0.000 0.460 61 A N 1.295 124.100 122.820 -0.025 0.000 2.371 61 A HA 0.732 5.052 4.320 0.000 0.000 0.311 61 A C -0.920 176.634 177.584 -0.049 0.000 1.068 61 A CA -0.768 51.243 52.037 -0.045 0.000 0.744 61 A CB 1.507 20.520 19.000 0.021 0.000 1.239 61 A HN 0.603 nan 8.150 nan 0.000 0.435 62 R N 2.309 122.760 120.500 -0.082 0.000 2.574 62 R HA 0.578 4.918 4.340 0.000 0.000 0.288 62 R C -1.755 174.496 176.300 -0.083 0.000 1.004 62 R CA -0.438 55.622 56.100 -0.067 0.000 0.895 62 R CB 1.823 32.083 30.300 -0.066 0.000 1.191 62 R HN 0.514 nan 8.270 nan 0.000 0.444 63 V N 6.123 126.002 119.914 -0.058 0.000 2.530 63 V HA 0.109 4.229 4.120 0.000 0.000 0.282 63 V C 0.517 176.576 176.094 -0.058 0.000 1.048 63 V CA -0.219 62.045 62.300 -0.060 0.000 0.997 63 V CB 1.345 33.148 31.823 -0.033 0.000 0.987 63 V HN 0.758 nan 8.190 nan 0.000 0.477 64 L N 3.343 124.525 121.223 -0.069 0.000 2.347 64 L HA 0.353 4.693 4.340 0.000 0.000 0.196 64 L C 0.854 177.697 176.870 -0.045 0.000 1.072 64 L CA 1.051 55.855 54.840 -0.060 0.000 0.817 64 L CB -0.216 41.798 42.059 -0.075 0.000 1.029 64 L HN 0.659 nan 8.230 nan 0.000 0.478 65 E N -0.455 119.717 120.200 -0.046 0.000 2.199 65 E HA 0.309 4.659 4.350 0.000 0.000 0.265 65 E C -0.875 175.711 176.600 -0.023 0.000 0.882 65 E CA -0.116 56.266 56.400 -0.031 0.000 0.759 65 E CB 1.960 31.642 29.700 -0.030 0.000 1.148 65 E HN -0.110 nan 8.360 nan 0.000 0.412 66 D N 2.497 122.890 120.400 -0.012 0.000 2.940 66 D HA 0.092 4.732 4.640 0.000 0.000 0.366 66 D C -0.618 175.685 176.300 0.005 0.000 1.446 66 D CA -0.357 53.641 54.000 -0.003 0.000 0.780 66 D CB 0.265 41.063 40.800 -0.004 0.000 1.206 66 D HN 0.262 nan 8.370 nan 0.000 0.454 67 R N 0.889 121.393 120.500 0.007 0.000 2.697 67 R HA 0.163 4.503 4.340 0.000 0.000 0.265 67 R C -2.157 174.155 176.300 0.020 0.000 1.009 67 R CA -0.649 55.459 56.100 0.014 0.000 1.099 67 R CB -0.068 30.242 30.300 0.017 0.000 0.965 67 R HN 0.128 nan 8.270 nan 0.000 0.428 68 P HA 0.048 nan 4.420 nan 0.000 0.275 68 P C -0.441 176.879 177.300 0.033 0.000 1.228 68 P CA -0.210 62.905 63.100 0.025 0.000 0.786 68 P CB 0.506 32.219 31.700 0.022 0.000 0.927 69 L N 1.397 122.642 121.223 0.037 0.000 2.490 69 L HA 0.053 4.393 4.340 0.000 0.000 0.274 69 L C 0.986 177.884 176.870 0.047 0.000 1.201 69 L CA 0.275 55.143 54.840 0.047 0.000 0.869 69 L CB -0.154 41.934 42.059 0.047 0.000 1.123 69 L HN 0.392 nan 8.230 nan 0.000 0.484 70 S N 1.371 117.105 115.700 0.057 0.000 2.579 70 S HA 0.002 4.472 4.470 0.000 0.000 0.275 70 S C 0.693 175.325 174.600 0.054 0.000 1.345 70 S CA -0.655 57.579 58.200 0.057 0.000 1.031 70 S CB 0.827 64.070 63.200 0.072 0.000 0.892 70 S HN 0.599 nan 8.310 nan 0.000 0.529 71 D N 0.791 121.219 120.400 0.047 0.000 2.240 71 D HA 0.074 4.714 4.640 0.000 0.000 0.206 71 D C 0.190 176.521 176.300 0.052 0.000 0.963 71 D CA 0.990 55.017 54.000 0.044 0.000 0.863 71 D CB 0.366 41.187 40.800 0.035 0.000 0.973 71 D HN 0.320 nan 8.370 nan 0.000 0.501 72 K N -0.752 119.683 120.400 0.058 0.000 2.444 72 K HA 0.539 4.859 4.320 0.000 0.000 0.252 72 K C 0.499 177.153 176.600 0.090 0.000 0.993 72 K CA -0.835 55.493 56.287 0.067 0.000 0.847 72 K CB 1.863 34.392 32.500 0.048 0.000 1.340 72 K HN -0.116 nan 8.250 nan 0.000 0.446 73 G N 0.098 108.964 108.800 0.111 0.000 3.519 73 G HA2 0.044 4.004 3.960 0.000 0.000 0.269 73 G HA3 0.044 4.004 3.960 0.000 0.000 0.269 73 G C 0.287 175.191 174.900 0.006 0.000 1.028 73 G CA -0.153 45.027 45.100 0.133 0.000 0.809 73 G HN 0.505 nan 8.290 nan 0.000 0.521 74 S N -0.738 114.968 115.700 0.010 0.000 2.646 74 S HA 0.754 5.224 4.470 0.000 0.000 0.273 74 S C 1.308 175.900 174.600 -0.013 0.000 1.168 74 S CA 0.354 58.543 58.200 -0.018 0.000 1.013 74 S CB 1.212 64.410 63.200 -0.003 0.000 1.098 74 S HN 1.495 nan 8.310 nan 0.000 0.544 75 G N 0.820 109.611 108.800 -0.016 0.000 2.557 75 G HA2 -0.243 3.717 3.960 0.000 0.000 0.292 75 G HA3 -0.243 3.717 3.960 0.000 0.000 0.292 75 G C -0.506 174.384 174.900 -0.017 0.000 1.162 75 G CA 0.505 45.599 45.100 -0.010 0.000 0.964 75 G HN 1.006 nan 8.290 nan 0.000 0.541 76 D N 1.551 121.947 120.400 -0.008 0.000 2.373 76 D HA 0.632 5.272 4.640 0.000 0.000 0.227 76 D C -0.157 176.137 176.300 -0.009 0.000 1.091 76 D CA 0.156 54.152 54.000 -0.008 0.000 0.840 76 D CB 0.914 41.715 40.800 0.003 0.000 1.060 76 D HN 0.346 nan 8.370 nan 0.000 0.502 77 S N 1.656 117.340 115.700 -0.027 0.000 2.549 77 S HA 0.376 4.846 4.470 0.000 0.000 0.297 77 S C -0.146 174.452 174.600 -0.003 0.000 1.115 77 S CA -0.753 57.430 58.200 -0.029 0.000 1.059 77 S CB 1.622 64.756 63.200 -0.110 0.000 1.046 77 S HN 0.340 nan 8.310 nan 0.000 0.506 78 S N 1.673 117.386 115.700 0.022 0.000 2.475 78 S HA 0.268 4.738 4.470 0.000 0.000 0.249 78 S C -0.084 174.548 174.600 0.053 0.000 1.298 78 S CA -0.558 57.672 58.200 0.050 0.000 1.125 78 S CB 0.020 63.274 63.200 0.089 0.000 1.054 78 S HN 0.573 nan 8.310 nan 0.000 0.484 79 Q N 2.038 121.865 119.800 0.044 0.000 2.247 79 Q HA 0.317 4.657 4.340 0.000 0.000 0.204 79 Q C 0.167 176.201 176.000 0.056 0.000 0.872 79 Q CA -0.050 55.779 55.803 0.043 0.000 0.951 79 Q CB 0.689 29.445 28.738 0.029 0.000 1.099 79 Q HN 0.554 nan 8.270 nan 0.000 0.501 80 V N 1.081 121.042 119.914 0.078 0.000 2.901 80 V HA 0.020 4.140 4.120 0.000 0.000 0.307 80 V C 0.452 176.607 176.094 0.103 0.000 1.084 80 V CA 0.615 62.980 62.300 0.108 0.000 1.184 80 V CB 1.097 33.033 31.823 0.189 0.000 0.941 80 V HN 0.148 nan 8.190 nan 0.000 0.493 81 T N 4.876 119.485 114.554 0.093 0.000 2.864 81 T HA 0.361 4.711 4.350 0.000 0.000 0.299 81 T C 0.342 175.099 174.700 0.095 0.000 1.011 81 T CA -0.412 61.738 62.100 0.084 0.000 0.975 81 T CB 1.320 70.224 68.868 0.061 0.000 0.962 81 T HN 0.775 nan 8.240 nan 0.000 0.448 82 Q N 1.411 121.284 119.800 0.121 0.000 2.246 82 Q HA 0.339 4.680 4.340 0.000 0.000 0.222 82 Q C 0.090 176.172 176.000 0.137 0.000 0.851 82 Q CA -0.005 55.899 55.803 0.168 0.000 0.945 82 Q CB 1.136 30.045 28.738 0.286 0.000 1.122 82 Q HN 0.355 nan 8.270 nan 0.000 0.508 83 V N 0.971 120.939 119.914 0.089 0.000 2.735 83 V HA 0.631 4.751 4.120 0.000 0.000 0.310 83 V C -0.689 175.429 176.094 0.040 0.000 1.061 83 V CA -0.635 61.691 62.300 0.043 0.000 0.913 83 V CB 2.031 33.864 31.823 0.016 0.000 1.005 83 V HN 0.220 nan 8.190 nan 0.000 0.428 84 S N 4.629 120.352 115.700 0.039 0.000 2.533 84 S HA 0.744 5.214 4.470 0.000 0.000 0.271 84 S C -3.235 171.391 174.600 0.043 0.000 1.143 84 S CA -1.341 56.879 58.200 0.034 0.000 0.891 84 S CB 2.554 65.774 63.200 0.033 0.000 1.105 84 S HN 0.405 nan 8.310 nan 0.000 0.468 85 P HA 0.285 nan 4.420 nan 0.000 0.272 85 P C 0.046 177.344 177.300 -0.004 0.000 1.248 85 P CA -0.110 62.994 63.100 0.008 0.000 0.799 85 P CB 0.341 32.035 31.700 -0.010 0.000 0.997 86 Q N -0.966 118.823 119.800 -0.018 0.000 2.392 86 Q HA 0.194 4.534 4.340 0.000 0.000 0.219 86 Q C 0.529 176.492 176.000 -0.062 0.000 0.895 86 Q CA 0.761 56.548 55.803 -0.027 0.000 0.929 86 Q CB 0.450 29.181 28.738 -0.012 0.000 1.077 86 Q HN 0.268 nan 8.270 nan 0.000 0.532 87 R N 0.738 121.191 120.500 -0.078 0.000 2.584 87 R HA 0.571 4.911 4.340 0.000 0.000 0.276 87 R C -1.677 174.537 176.300 -0.143 0.000 1.046 87 R CA -0.530 55.498 56.100 -0.119 0.000 0.906 87 R CB 1.174 31.416 30.300 -0.097 0.000 1.215 87 R HN 0.194 nan 8.270 nan 0.000 0.449 88 I N 0.040 120.481 120.570 -0.215 0.000 2.865 88 I HA 0.795 4.965 4.170 0.000 0.000 0.302 88 I C -1.148 174.810 176.117 -0.265 0.000 1.140 88 I CA -1.147 60.011 61.300 -0.236 0.000 1.021 88 I CB 2.564 40.377 38.000 -0.311 0.000 1.233 88 I HN 0.631 nan 8.210 nan 0.000 0.427 89 A N 4.840 127.530 122.820 -0.216 0.000 2.271 89 A HA 0.761 5.081 4.320 0.000 0.000 0.317 89 A C -1.080 176.374 177.584 -0.217 0.000 1.245 89 A CA -0.465 51.451 52.037 -0.202 0.000 0.857 89 A CB 1.007 19.922 19.000 -0.141 0.000 1.175 89 A HN 0.685 nan 8.150 nan 0.000 0.512 90 L N 2.891 123.965 121.223 -0.249 0.000 2.322 90 L HA 0.638 4.978 4.340 0.000 0.000 0.281 90 L C -0.143 176.604 176.870 -0.205 0.000 1.014 90 L CA -0.145 54.559 54.840 -0.226 0.000 0.815 90 L CB 1.351 43.250 42.059 -0.267 0.000 1.247 90 L HN 0.736 nan 8.230 nan 0.000 0.421 91 R N 5.855 126.263 120.500 -0.154 0.000 2.480 91 R HA 0.716 5.056 4.340 0.000 0.000 0.306 91 R C -1.536 174.696 176.300 -0.115 0.000 0.958 91 R CA -0.744 55.265 56.100 -0.150 0.000 0.861 91 R CB 1.710 31.945 30.300 -0.110 0.000 1.171 91 R HN 0.576 nan 8.270 nan 0.000 0.445 92 L N 3.821 124.973 121.223 -0.118 0.000 2.410 92 L HA 0.561 4.902 4.340 0.000 0.000 0.270 92 L C 0.048 176.938 176.870 0.032 0.000 0.983 92 L CA -0.986 53.837 54.840 -0.028 0.000 0.822 92 L CB 2.105 44.173 42.059 0.015 0.000 1.285 92 L HN 0.572 nan 8.230 nan 0.000 0.409 93 R N 1.924 122.434 120.500 0.016 0.000 2.596 93 R HA 0.644 4.985 4.340 0.000 0.000 0.267 93 R C -2.688 173.646 176.300 0.057 0.000 1.026 93 R CA -2.016 54.100 56.100 0.027 0.000 1.087 93 R CB -0.016 30.266 30.300 -0.030 0.000 1.132 93 R HN 0.153 nan 8.270 nan 0.000 0.531 94 P HA -0.124 nan 4.420 nan 0.000 0.263 94 P C -0.762 176.560 177.300 0.036 0.000 1.168 94 P CA 0.802 63.927 63.100 0.041 0.000 0.759 94 P CB 0.165 31.875 31.700 0.018 0.000 0.782 95 D N -0.680 119.741 120.400 0.035 0.000 2.911 95 D HA -0.199 4.441 4.640 0.000 0.000 0.227 95 D C 0.146 176.465 176.300 0.032 0.000 1.164 95 D CA 1.394 55.411 54.000 0.028 0.000 0.782 95 D CB -0.734 40.077 40.800 0.019 0.000 1.094 95 D HN 0.433 nan 8.370 nan 0.000 0.425 96 D N -0.759 119.665 120.400 0.041 0.000 2.494 96 D HA 0.655 5.295 4.640 0.000 0.000 0.259 96 D C -0.206 176.117 176.300 0.037 0.000 1.109 96 D CA -0.224 53.795 54.000 0.032 0.000 1.040 96 D CB 1.371 42.182 40.800 0.018 0.000 1.175 96 D HN 0.049 nan 8.370 nan 0.000 0.584 97 S N 0.162 115.878 115.700 0.026 0.000 2.550 97 S HA 0.718 5.188 4.470 0.000 0.000 0.270 97 S C -1.104 173.512 174.600 0.027 0.000 1.145 97 S CA -0.975 57.242 58.200 0.029 0.000 0.852 97 S CB 2.422 65.630 63.200 0.014 0.000 1.119 97 S HN 0.302 nan 8.310 nan 0.000 0.465 98 K N 1.172 121.601 120.400 0.048 0.000 2.512 98 K HA 0.495 4.816 4.320 0.000 0.000 0.263 98 K C -1.511 175.140 176.600 0.085 0.000 0.966 98 K CA -0.506 55.818 56.287 0.061 0.000 0.851 98 K CB 2.107 34.649 32.500 0.070 0.000 1.395 98 K HN 1.018 nan 8.250 nan 0.000 0.440 99 N N 1.167 119.902 118.700 0.059 0.000 2.362 99 N HA 0.579 5.319 4.740 0.000 0.000 0.299 99 N C -0.513 175.059 175.510 0.103 0.000 1.170 99 N CA -0.293 52.734 53.050 -0.038 0.000 0.825 99 N CB 1.598 40.026 38.487 -0.099 0.000 1.299 99 N HN 0.436 nan 8.380 nan 0.000 0.502 100 F N -2.086 117.844 119.950 -0.034 0.000 3.016 100 F HA 0.770 5.297 4.527 0.000 0.000 0.324 100 F C -0.976 174.818 175.800 -0.010 0.000 1.196 100 F CA -0.975 57.010 58.000 -0.025 0.000 0.929 100 F CB 1.207 40.187 39.000 -0.033 0.000 1.440 100 F HN 0.387 nan 8.300 nan 0.000 0.505 101 S N 0.587 116.435 115.700 0.247 0.000 2.588 101 S HA 0.756 5.226 4.470 0.000 0.000 0.275 101 S C -1.714 173.007 174.600 0.201 0.000 1.130 101 S CA -0.708 57.567 58.200 0.125 0.000 0.855 101 S CB 2.093 65.339 63.200 0.077 0.000 1.116 101 S HN 0.793 nan 8.310 nan 0.000 0.472 102 I N 1.669 122.344 120.570 0.175 0.000 2.569 102 I HA 0.409 4.579 4.170 0.000 0.000 0.290 102 I C -1.400 174.816 176.117 0.165 0.000 1.088 102 I CA -0.436 60.968 61.300 0.173 0.000 1.047 102 I CB 1.780 39.891 38.000 0.186 0.000 1.237 102 I HN 0.582 nan 8.210 nan 0.000 0.421 103 Q N 5.335 125.200 119.800 0.109 0.000 2.274 103 Q HA 0.663 5.004 4.340 0.000 0.000 0.260 103 Q C -1.518 174.527 176.000 0.075 0.000 0.974 103 Q CA -0.839 55.016 55.803 0.086 0.000 0.876 103 Q CB 3.049 31.817 28.738 0.050 0.000 1.297 103 Q HN 0.456 nan 8.270 nan 0.000 0.446 104 V N 2.448 122.406 119.914 0.073 0.000 2.577 104 V HA 0.495 4.615 4.120 0.000 0.000 0.303 104 V C -0.722 175.404 176.094 0.054 0.000 1.042 104 V CA -0.784 61.530 62.300 0.024 0.000 0.872 104 V CB 1.947 33.742 31.823 -0.046 0.000 0.998 104 V HN 0.667 nan 8.190 nan 0.000 0.423 105 R N 3.372 123.932 120.500 0.101 0.000 2.534 105 R HA 0.464 4.804 4.340 0.000 0.000 0.301 105 R C -0.742 175.673 176.300 0.191 0.000 0.961 105 R CA -0.686 55.484 56.100 0.116 0.000 0.871 105 R CB 1.531 31.881 30.300 0.083 0.000 1.170 105 R HN 0.627 nan 8.270 nan 0.000 0.446 106 Q N 3.571 123.454 119.800 0.138 0.000 2.452 106 Q HA 0.124 4.464 4.340 0.000 0.000 0.230 106 Q C -0.340 175.663 176.000 0.006 0.000 1.180 106 Q CA -0.093 55.751 55.803 0.067 0.000 0.914 106 Q CB 1.019 29.777 28.738 0.034 0.000 1.408 106 Q HN 0.423 nan 8.270 nan 0.000 0.520 107 V N 2.886 122.786 119.914 -0.023 0.000 2.599 107 V HA -0.075 4.045 4.120 0.000 0.000 0.300 107 V C 1.012 177.138 176.094 0.053 0.000 1.034 107 V CA 0.197 62.513 62.300 0.026 0.000 1.115 107 V CB 0.247 32.103 31.823 0.056 0.000 0.934 107 V HN 0.581 nan 8.190 nan 0.000 0.485 108 E N 3.457 123.696 120.200 0.066 0.000 2.413 108 E HA 0.021 4.371 4.350 0.000 0.000 0.263 108 E C 0.414 177.080 176.600 0.111 0.000 1.015 108 E CA 0.143 56.591 56.400 0.080 0.000 0.916 108 E CB 0.158 29.895 29.700 0.061 0.000 0.947 108 E HN 0.753 nan 8.360 nan 0.000 0.440 109 D N 1.786 122.260 120.400 0.123 0.000 2.760 109 D HA -0.237 4.403 4.640 0.000 0.000 0.244 109 D C -1.644 174.743 176.300 0.144 0.000 1.123 109 D CA 0.772 54.839 54.000 0.113 0.000 0.719 109 D CB -1.349 39.492 40.800 0.068 0.000 1.045 109 D HN 0.392 nan 8.370 nan 0.000 0.426 110 Y N 0.013 120.336 120.300 0.038 0.000 2.352 110 Y HA 0.558 5.108 4.550 0.000 0.000 0.326 110 Y C -1.932 173.982 175.900 0.023 0.000 1.166 110 Y CA -1.946 56.164 58.100 0.016 0.000 1.182 110 Y CB 1.195 39.648 38.460 -0.011 0.000 1.216 110 Y HN -0.025 nan 8.280 nan 0.000 0.474 111 P HA 0.136 nan 4.420 nan 0.000 0.269 111 P C -1.482 175.798 177.300 -0.034 0.000 1.215 111 P CA 0.114 63.091 63.100 -0.205 0.000 0.780 111 P CB 0.704 32.217 31.700 -0.312 0.000 0.898 112 V N 2.451 122.366 119.914 0.002 0.000 2.733 112 V HA 0.298 4.418 4.120 0.000 0.000 0.306 112 V C -0.787 175.363 176.094 0.093 0.000 1.084 112 V CA -0.553 61.776 62.300 0.048 0.000 0.905 112 V CB 2.229 34.000 31.823 -0.086 0.000 1.010 112 V HN 0.413 nan 8.190 nan 0.000 0.424 113 D N 4.371 124.907 120.400 0.226 0.000 2.217 113 D HA 0.627 5.267 4.640 0.000 0.000 0.243 113 D C -0.565 175.959 176.300 0.375 0.000 1.054 113 D CA -0.027 54.170 54.000 0.328 0.000 0.838 113 D CB 2.387 43.554 40.800 0.611 0.000 1.162 113 D HN 0.361 nan 8.370 nan 0.000 0.472 114 I N 2.727 123.454 120.570 0.261 0.000 2.448 114 I HA 0.162 4.333 4.170 0.000 0.000 0.281 114 I C -1.162 175.137 176.117 0.303 0.000 1.027 114 I CA -0.973 60.493 61.300 0.276 0.000 1.111 114 I CB 1.342 39.426 38.000 0.140 0.000 1.236 114 I HN 0.237 nan 8.210 nan 0.000 0.452 115 Y N 7.240 127.679 120.300 0.232 0.000 2.331 115 Y HA 0.332 4.883 4.550 0.000 0.000 0.338 115 Y C -1.109 174.959 175.900 0.280 0.000 0.976 115 Y CA -0.689 57.511 58.100 0.166 0.000 1.137 115 Y CB 0.964 39.375 38.460 -0.082 0.000 1.172 115 Y HN 0.454 nan 8.280 nan 0.000 0.478 116 Y N 7.769 127.942 120.300 -0.212 0.000 2.404 116 Y HA 0.470 5.020 4.550 0.000 0.000 0.344 116 Y C -1.508 174.141 175.900 -0.419 0.000 0.970 116 Y CA -0.817 57.233 58.100 -0.084 0.000 1.180 116 Y CB 0.641 39.256 38.460 0.259 0.000 1.138 116 Y HN 0.644 nan 8.280 nan 0.000 0.510 117 L N 8.341 129.380 121.223 -0.306 0.000 2.294 117 L HA 0.516 4.856 4.340 0.000 0.000 0.283 117 L C -1.193 175.591 176.870 -0.143 0.000 1.015 117 L CA -0.582 54.191 54.840 -0.111 0.000 0.831 117 L CB 1.047 43.275 42.059 0.283 0.000 1.217 117 L HN 0.798 nan 8.230 nan 0.000 0.420 118 M N 3.997 123.453 119.600 -0.240 0.000 2.243 118 M HA 0.343 4.823 4.480 0.000 0.000 0.324 118 M C -0.849 175.043 176.300 -0.680 0.000 1.031 118 M CA -0.693 54.416 55.300 -0.317 0.000 0.949 118 M CB 1.327 33.868 32.600 -0.098 0.000 1.615 118 M HN 0.623 nan 8.290 nan 0.000 0.430 119 D N 4.731 124.535 120.400 -0.993 0.000 2.450 119 D HA 0.093 4.733 4.640 0.000 0.000 0.247 119 D C -0.461 175.490 176.300 -0.582 0.000 1.162 119 D CA 0.471 53.678 54.000 -1.322 0.000 0.879 119 D CB 0.623 40.992 40.800 -0.719 0.000 1.163 119 D HN 0.719 nan 8.370 nan 0.000 0.472 120 L N 3.330 124.284 121.223 -0.449 0.000 3.218 120 L HA 0.090 4.430 4.340 0.000 0.000 0.279 120 L C 0.851 177.649 176.870 -0.120 0.000 1.287 120 L CA -0.418 54.333 54.840 -0.149 0.000 1.024 120 L CB 0.150 42.269 42.059 0.101 0.000 1.409 120 L HN 0.304 nan 8.230 nan 0.000 0.580 121 S N -1.803 113.802 115.700 -0.159 0.000 2.626 121 S HA -0.009 4.461 4.470 0.000 0.000 0.257 121 S C 0.983 175.588 174.600 0.009 0.000 1.288 121 S CA -0.173 58.001 58.200 -0.043 0.000 0.980 121 S CB 0.626 63.812 63.200 -0.024 0.000 0.975 121 S HN 0.268 nan 8.310 nan 0.000 0.577 122 Y N 1.424 121.699 120.300 -0.041 0.000 2.293 122 Y HA -0.076 4.474 4.550 0.000 0.000 0.291 122 Y C 2.694 178.550 175.900 -0.073 0.000 1.137 122 Y CA 1.778 59.854 58.100 -0.039 0.000 1.202 122 Y CB -0.649 37.809 38.460 -0.004 0.000 0.990 122 Y HN 0.810 nan 8.280 nan 0.000 0.537 123 S N -1.229 114.450 115.700 -0.035 0.000 2.555 123 S HA -0.063 4.407 4.470 0.000 0.000 0.230 123 S C 1.404 175.888 174.600 -0.194 0.000 0.978 123 S CA 0.582 58.714 58.200 -0.113 0.000 0.934 123 S CB -0.328 62.854 63.200 -0.029 0.000 0.766 123 S HN 0.332 nan 8.310 nan 0.000 0.533 124 M N 0.883 120.356 119.600 -0.211 0.000 2.431 124 M HA 0.314 4.794 4.480 0.000 0.000 0.237 124 M C 1.673 177.777 176.300 -0.327 0.000 1.130 124 M CA 0.183 55.348 55.300 -0.225 0.000 1.002 124 M CB -0.574 31.917 32.600 -0.182 0.000 1.524 124 M HN 0.413 nan 8.290 nan 0.000 0.482 125 K N 1.798 121.919 120.400 -0.464 0.000 2.009 125 K HA -0.206 4.114 4.320 0.000 0.000 0.210 125 K C 1.438 177.427 176.600 -1.019 0.000 1.049 125 K CA 2.177 58.076 56.287 -0.646 0.000 0.929 125 K CB 0.060 32.100 32.500 -0.766 0.000 0.714 125 K HN 0.371 nan 8.250 nan 0.000 0.440 126 D N 0.042 119.806 120.400 -1.060 0.000 2.264 126 D HA -0.173 4.467 4.640 0.000 0.000 0.208 126 D C 0.949 176.912 176.300 -0.561 0.000 0.966 126 D CA 1.225 54.479 54.000 -1.243 0.000 0.864 126 D CB -0.425 40.021 40.800 -0.589 0.000 0.933 126 D HN 0.289 nan 8.370 nan 0.000 0.499 127 D N 0.753 120.930 120.400 -0.370 0.000 2.117 127 D HA -0.036 4.604 4.640 0.000 0.000 0.198 127 D C 2.266 178.500 176.300 -0.111 0.000 0.982 127 D CA 0.411 54.319 54.000 -0.154 0.000 0.828 127 D CB -0.263 40.479 40.800 -0.098 0.000 0.967 127 D HN 0.165 nan 8.370 nan 0.000 0.464 128 L N 0.052 121.154 121.223 -0.202 0.000 2.043 128 L HA -0.210 4.130 4.340 0.000 0.000 0.212 128 L C 2.114 178.982 176.870 -0.003 0.000 1.075 128 L CA 1.064 55.832 54.840 -0.121 0.000 0.752 128 L CB -0.325 41.629 42.059 -0.174 0.000 0.891 128 L HN 0.272 nan 8.230 nan 0.000 0.432 129 W N -0.590 120.689 121.300 -0.035 0.000 2.363 129 W HA -0.110 4.550 4.660 0.000 0.000 0.296 129 W C 2.724 179.228 176.519 -0.025 0.000 1.212 129 W CA 0.856 58.180 57.345 -0.035 0.000 1.260 129 W CB -1.398 28.043 29.460 -0.032 0.000 1.131 129 W HN 0.131 nan 8.180 nan 0.000 0.530 130 S N 0.394 116.210 115.700 0.193 0.000 2.461 130 S HA -0.046 4.424 4.470 0.000 0.000 0.228 130 S C 1.575 176.222 174.600 0.077 0.000 1.005 130 S CA 1.038 59.313 58.200 0.125 0.000 0.942 130 S CB -0.309 62.949 63.200 0.096 0.000 0.776 130 S HN 0.418 nan 8.310 nan 0.000 0.514 131 I N -1.500 119.105 120.570 0.058 0.000 3.941 131 I HA 0.255 4.425 4.170 0.000 0.000 0.335 131 I C 1.513 177.636 176.117 0.010 0.000 1.402 131 I CA -0.175 61.140 61.300 0.024 0.000 1.112 131 I CB 0.006 38.006 38.000 0.001 0.000 1.043 131 I HN -0.090 nan 8.210 nan 0.000 0.395 132 Q N 2.352 122.166 119.800 0.022 0.000 2.133 132 Q HA -0.163 4.177 4.340 0.000 0.000 0.208 132 Q C 0.725 176.725 176.000 0.000 0.000 0.991 132 Q CA 1.630 57.434 55.803 0.001 0.000 0.867 132 Q CB -0.392 28.360 28.738 0.023 0.000 0.911 132 Q HN 0.674 nan 8.270 nan 0.000 0.417 133 N N 0.079 118.785 118.700 0.011 0.000 2.338 133 N HA 0.038 4.778 4.740 0.000 0.000 0.251 133 N C 1.136 176.644 175.510 -0.003 0.000 1.199 133 N CA -0.060 52.995 53.050 0.009 0.000 0.879 133 N CB 0.567 39.053 38.487 -0.002 0.000 1.159 133 N HN 0.084 nan 8.380 nan 0.000 0.514 134 L N 1.238 122.463 121.223 0.004 0.000 2.079 134 L HA 0.010 4.350 4.340 0.000 0.000 0.210 134 L C 2.069 178.823 176.870 -0.193 0.000 1.081 134 L CA 1.798 56.596 54.840 -0.070 0.000 0.752 134 L CB -0.899 41.108 42.059 -0.088 0.000 0.896 134 L HN 0.189 nan 8.230 nan 0.000 0.433 135 G N -1.497 107.186 108.800 -0.196 0.000 2.476 135 G HA2 -0.341 3.619 3.960 0.000 0.000 0.218 135 G HA3 -0.341 3.619 3.960 0.000 0.000 0.218 135 G C 1.462 176.240 174.900 -0.204 0.000 1.164 135 G CA 1.562 46.422 45.100 -0.400 0.000 0.768 135 G HN 0.532 nan 8.290 nan 0.000 0.560 136 T N -0.388 114.112 114.554 -0.091 0.000 2.812 136 T HA 0.040 4.390 4.350 0.000 0.000 0.264 136 T C 2.190 176.848 174.700 -0.070 0.000 1.042 136 T CA 1.349 63.409 62.100 -0.066 0.000 1.140 136 T CB -0.174 68.674 68.868 -0.033 0.000 0.870 136 T HN 0.329 nan 8.240 nan 0.000 0.445 137 K N 0.569 120.928 120.400 -0.068 0.000 2.097 137 K HA 0.099 4.419 4.320 0.000 0.000 0.205 137 K C 2.166 178.723 176.600 -0.071 0.000 1.050 137 K CA 0.824 57.078 56.287 -0.055 0.000 0.938 137 K CB -0.375 32.102 32.500 -0.038 0.000 0.718 137 K HN 0.138 nan 8.250 nan 0.000 0.442 138 L N 1.282 122.435 121.223 -0.116 0.000 2.046 138 L HA -0.112 4.228 4.340 0.000 0.000 0.208 138 L C 2.204 179.005 176.870 -0.116 0.000 1.077 138 L CA 1.757 56.520 54.840 -0.128 0.000 0.747 138 L CB -0.817 41.112 42.059 -0.216 0.000 0.896 138 L HN 0.131 nan 8.230 nan 0.000 0.432 139 A N -1.599 121.147 122.820 -0.124 0.000 1.908 139 A HA -0.243 4.078 4.320 0.000 0.000 0.218 139 A C 2.267 179.812 177.584 -0.065 0.000 1.181 139 A CA 2.444 54.424 52.037 -0.094 0.000 0.627 139 A CB -1.262 17.689 19.000 -0.083 0.000 0.818 139 A HN 0.512 nan 8.150 nan 0.000 0.445 140 T N -0.101 114.421 114.554 -0.054 0.000 2.720 140 T HA -0.151 4.199 4.350 0.000 0.000 0.268 140 T C 2.058 176.740 174.700 -0.029 0.000 1.037 140 T CA 1.641 63.720 62.100 -0.035 0.000 1.144 140 T CB -0.214 68.638 68.868 -0.028 0.000 0.864 140 T HN 0.477 nan 8.240 nan 0.000 0.444 141 Q N 0.026 119.806 119.800 -0.033 0.000 2.137 141 Q HA 0.190 4.530 4.340 0.000 0.000 0.198 141 Q C 2.278 178.262 176.000 -0.027 0.000 0.960 141 Q CA 0.731 56.522 55.803 -0.020 0.000 0.847 141 Q CB -0.304 28.427 28.738 -0.012 0.000 0.915 141 Q HN 0.424 nan 8.270 nan 0.000 0.448 142 M N 0.040 119.606 119.600 -0.057 0.000 2.394 142 M HA -0.059 4.421 4.480 0.000 0.000 0.264 142 M C 1.938 178.201 176.300 -0.061 0.000 1.073 142 M CA 1.000 56.246 55.300 -0.089 0.000 1.111 142 M CB -0.679 31.842 32.600 -0.132 0.000 1.401 142 M HN 0.144 nan 8.290 nan 0.000 0.448 143 R N 0.747 121.222 120.500 -0.042 0.000 2.189 143 R HA -0.097 4.243 4.340 0.000 0.000 0.218 143 R C 1.776 178.072 176.300 -0.007 0.000 1.074 143 R CA 0.963 57.047 56.100 -0.026 0.000 0.991 143 R CB 0.123 30.409 30.300 -0.024 0.000 0.883 143 R HN 0.304 nan 8.270 nan 0.000 0.457 144 K N -0.015 120.384 120.400 -0.001 0.000 2.211 144 K HA -0.084 4.236 4.320 0.000 0.000 0.203 144 K C 1.746 178.366 176.600 0.033 0.000 1.050 144 K CA 1.018 57.315 56.287 0.016 0.000 0.945 144 K CB 0.126 32.639 32.500 0.020 0.000 0.732 144 K HN 0.244 nan 8.250 nan 0.000 0.451 145 L N -0.748 120.496 121.223 0.035 0.000 2.388 145 L HA 0.081 4.421 4.340 0.000 0.000 0.209 145 L C 1.145 178.058 176.870 0.071 0.000 1.061 145 L CA 0.320 55.208 54.840 0.080 0.000 0.834 145 L CB 0.567 42.701 42.059 0.125 0.000 1.029 145 L HN -0.014 nan 8.230 nan 0.000 0.473 146 T N -2.213 112.352 114.554 0.018 0.000 2.903 146 T HA 0.312 4.662 4.350 0.000 0.000 0.299 146 T C 0.362 175.058 174.700 -0.006 0.000 1.093 146 T CA -0.428 61.681 62.100 0.014 0.000 1.002 146 T CB 1.915 70.775 68.868 -0.013 0.000 1.127 146 T HN -0.087 nan 8.240 nan 0.000 0.488 147 S N 2.823 118.520 115.700 -0.004 0.000 2.556 147 S HA 0.244 4.715 4.470 0.000 0.000 0.216 147 S C 0.544 175.130 174.600 -0.023 0.000 0.970 147 S CA -0.283 57.910 58.200 -0.012 0.000 0.912 147 S CB 0.003 63.199 63.200 -0.007 0.000 0.790 147 S HN 0.637 nan 8.310 nan 0.000 0.504 148 N N 1.858 120.538 118.700 -0.033 0.000 2.791 148 N HA 0.290 5.031 4.740 0.000 0.000 0.265 148 N C -1.508 173.981 175.510 -0.036 0.000 1.580 148 N CA -0.187 52.839 53.050 -0.040 0.000 0.809 148 N CB 1.299 39.746 38.487 -0.066 0.000 1.178 148 N HN 0.207 nan 8.380 nan 0.000 0.499 149 L N 1.203 122.406 121.223 -0.032 0.000 2.289 149 L HA 0.510 4.850 4.340 0.000 0.000 0.285 149 L C -0.251 176.614 176.870 -0.010 0.000 1.049 149 L CA -0.174 54.647 54.840 -0.032 0.000 0.804 149 L CB 0.679 42.703 42.059 -0.058 0.000 1.195 149 L HN 0.121 nan 8.230 nan 0.000 0.428 150 R N 6.098 126.608 120.500 0.017 0.000 2.740 150 R HA 0.750 5.090 4.340 0.000 0.000 0.282 150 R C -1.027 175.303 176.300 0.050 0.000 0.969 150 R CA -0.825 55.297 56.100 0.036 0.000 0.918 150 R CB 2.142 32.475 30.300 0.055 0.000 1.175 150 R HN 0.812 nan 8.270 nan 0.000 0.464 151 I N -2.058 118.548 120.570 0.059 0.000 2.934 151 I HA 0.908 5.078 4.170 0.000 0.000 0.306 151 I C -0.473 175.781 176.117 0.230 0.000 1.110 151 I CA -0.877 60.478 61.300 0.092 0.000 1.019 151 I CB 2.702 40.649 38.000 -0.089 0.000 1.227 151 I HN 0.660 nan 8.210 nan 0.000 0.434 152 G N 2.432 111.434 108.800 0.338 0.000 2.708 152 G HA2 0.720 4.681 3.960 0.000 0.000 0.289 152 G HA3 0.720 4.681 3.960 0.000 0.000 0.289 152 G C -2.377 172.668 174.900 0.242 0.000 1.416 152 G CA -0.682 44.637 45.100 0.364 0.000 0.829 152 G HN 0.692 nan 8.290 nan 0.000 0.480 153 F N -0.301 119.517 119.950 -0.219 0.000 2.608 153 F HA 0.734 5.261 4.527 0.000 0.000 0.309 153 F C 0.073 175.642 175.800 -0.385 0.000 1.103 153 F CA -0.026 57.731 58.000 -0.405 0.000 0.954 153 F CB 2.310 40.999 39.000 -0.519 0.000 1.267 153 F HN 0.908 nan 8.300 nan 0.000 0.444 154 G N 2.041 110.344 108.800 -0.828 0.000 2.695 154 G HA2 0.843 4.803 3.960 0.000 0.000 0.290 154 G HA3 0.843 4.803 3.960 0.000 0.000 0.290 154 G C -2.284 172.419 174.900 -0.328 0.000 1.410 154 G CA -0.461 44.524 45.100 -0.191 0.000 0.844 154 G HN 1.111 nan 8.290 nan 0.000 0.478 155 A N -0.670 122.219 122.820 0.115 0.000 2.587 155 A HA 0.947 5.267 4.320 0.000 0.000 0.293 155 A C -1.311 176.642 177.584 0.614 0.000 1.087 155 A CA -0.696 51.465 52.037 0.207 0.000 0.692 155 A CB 1.471 20.612 19.000 0.235 0.000 1.291 155 A HN 2.035 nan 8.150 nan 0.000 0.407 156 F N -0.712 119.475 119.950 0.395 0.000 2.645 156 F HA 0.800 5.327 4.527 0.000 0.000 0.310 156 F C -0.491 175.291 175.800 -0.030 0.000 1.102 156 F CA -0.768 57.420 58.000 0.312 0.000 0.952 156 F CB 0.815 40.006 39.000 0.317 0.000 1.326 156 F HN 0.374 nan 8.300 nan 0.000 0.456 157 V N -0.756 119.147 119.914 -0.019 0.000 4.213 157 V HA 0.436 4.556 4.120 0.000 0.000 0.179 157 V C -0.885 175.320 176.094 0.185 0.000 1.148 157 V CA 0.599 62.830 62.300 -0.115 0.000 1.346 157 V CB 0.546 32.102 31.823 -0.444 0.000 1.703 157 V HN 0.893 nan 8.190 nan 0.000 0.525 158 D N -1.210 119.264 120.400 0.123 0.000 2.738 158 D HA 0.255 4.896 4.640 0.000 0.000 0.308 158 D C -1.464 174.935 176.300 0.164 0.000 1.311 158 D CA -0.626 53.478 54.000 0.174 0.000 0.799 158 D CB 1.554 42.420 40.800 0.111 0.000 1.332 158 D HN 0.091 nan 8.370 nan 0.000 0.441 159 K N 1.600 122.079 120.400 0.132 0.000 2.436 159 K HA 0.186 4.506 4.320 0.000 0.000 0.282 159 K C -1.915 174.821 176.600 0.226 0.000 1.044 159 K CA -0.876 55.506 56.287 0.159 0.000 1.028 159 K CB 0.371 32.929 32.500 0.096 0.000 0.919 159 K HN 0.109 nan 8.250 nan 0.000 0.474 160 P HA 0.035 nan 4.420 nan 0.000 0.237 160 P C -0.896 176.475 177.300 0.118 0.000 1.788 160 P CA 0.067 63.259 63.100 0.154 0.000 1.061 160 P CB 0.254 32.046 31.700 0.154 0.000 1.967 161 V N 1.111 121.103 119.914 0.130 0.000 3.048 161 V HA 0.362 4.482 4.120 0.000 0.000 0.303 161 V C -0.439 175.630 176.094 -0.041 0.000 1.214 161 V CA -0.765 61.562 62.300 0.044 0.000 0.984 161 V CB 2.433 34.278 31.823 0.036 0.000 1.054 161 V HN 0.283 nan 8.190 nan 0.000 0.430 162 S N 6.410 122.054 115.700 -0.093 0.000 2.549 162 S HA 0.386 4.856 4.470 0.000 0.000 0.286 162 S C -1.534 172.868 174.600 -0.330 0.000 1.314 162 S CA -0.005 58.094 58.200 -0.169 0.000 1.062 162 S CB 1.148 64.285 63.200 -0.105 0.000 0.865 162 S HN 0.813 nan 8.310 nan 0.000 0.498 163 P HA 0.181 nan 4.420 nan 0.000 0.268 163 P C 0.139 177.254 177.300 -0.308 0.000 1.329 163 P CA -0.037 62.863 63.100 -0.332 0.000 0.899 163 P CB -0.065 31.479 31.700 -0.261 0.000 1.378 164 Y N 0.026 120.294 120.300 -0.055 0.000 2.242 164 Y HA 0.083 4.633 4.550 0.000 0.000 0.291 164 Y C 1.740 177.560 175.900 -0.134 0.000 1.137 164 Y CA 0.454 58.527 58.100 -0.045 0.000 1.181 164 Y CB -0.792 37.691 38.460 0.039 0.000 0.989 164 Y HN 0.006 nan 8.280 nan 0.000 0.527 165 M N -0.100 119.493 119.600 -0.011 0.000 2.300 165 M HA 0.333 4.813 4.480 0.000 0.000 0.348 165 M C -1.496 174.736 176.300 -0.113 0.000 1.151 165 M CA -0.876 54.410 55.300 -0.024 0.000 1.046 165 M CB 0.860 33.500 32.600 0.066 0.000 1.647 165 M HN 0.011 nan 8.290 nan 0.000 0.451 166 Y N 5.201 125.540 120.300 0.065 0.000 2.544 166 Y HA 0.151 4.701 4.550 0.000 0.000 0.330 166 Y C 0.961 176.878 175.900 0.028 0.000 1.136 166 Y CA 0.084 58.214 58.100 0.050 0.000 1.417 166 Y CB 0.069 38.573 38.460 0.074 0.000 1.229 166 Y HN 0.651 nan 8.280 nan 0.000 0.532 167 I N -0.523 120.131 120.570 0.140 0.000 3.947 167 I HA 0.429 4.599 4.170 0.000 0.000 0.327 167 I C -0.270 175.867 176.117 0.034 0.000 1.519 167 I CA -0.217 61.122 61.300 0.065 0.000 1.122 167 I CB 0.160 38.176 38.000 0.027 0.000 1.146 167 I HN 0.383 nan 8.210 nan 0.000 0.442 168 S N 0.007 115.733 115.700 0.042 0.000 2.537 168 S HA 0.717 5.187 4.470 0.000 0.000 0.271 168 S C -2.995 171.555 174.600 -0.083 0.000 1.148 168 S CA -0.882 57.305 58.200 -0.022 0.000 0.868 168 S CB 1.556 64.761 63.200 0.008 0.000 1.115 168 S HN -0.020 nan 8.310 nan 0.000 0.461 169 P HA 0.420 nan 4.420 nan 0.000 0.286 169 P C -2.036 175.138 177.300 -0.209 0.000 1.293 169 P CA -1.343 61.644 63.100 -0.190 0.000 0.770 169 P CB -0.656 30.916 31.700 -0.213 0.000 1.206 170 P HA -0.203 nan 4.420 nan 0.000 0.217 170 P C 1.474 178.689 177.300 -0.142 0.000 1.151 170 P CA 1.508 64.543 63.100 -0.108 0.000 0.849 170 P CB -0.111 31.545 31.700 -0.074 0.000 0.787 171 E N -0.383 119.682 120.200 -0.225 0.000 2.160 171 E HA -0.211 4.139 4.350 0.000 0.000 0.195 171 E C 1.821 178.276 176.600 -0.241 0.000 0.991 171 E CA 1.164 57.428 56.400 -0.228 0.000 0.810 171 E CB -0.424 29.104 29.700 -0.288 0.000 0.742 171 E HN 0.122 nan 8.360 nan 0.000 0.466 172 A N 0.448 123.040 122.820 -0.380 0.000 2.066 172 A HA -0.065 4.255 4.320 0.000 0.000 0.218 172 A C 2.051 179.628 177.584 -0.012 0.000 1.157 172 A CA 0.596 52.512 52.037 -0.202 0.000 0.670 172 A CB -0.304 18.575 19.000 -0.201 0.000 0.804 172 A HN 0.262 nan 8.150 nan 0.000 0.453 173 L N -0.639 120.570 121.223 -0.022 0.000 2.109 173 L HA -0.100 4.240 4.340 0.000 0.000 0.207 173 L C 2.382 179.279 176.870 0.045 0.000 1.086 173 L CA 0.948 55.806 54.840 0.031 0.000 0.760 173 L CB -0.343 41.726 42.059 0.016 0.000 0.910 173 L HN 0.306 nan 8.230 nan 0.000 0.437 174 E N -0.189 120.024 120.200 0.021 0.000 2.158 174 E HA -0.069 4.281 4.350 0.000 0.000 0.191 174 E C 0.313 176.951 176.600 0.063 0.000 0.982 174 E CA 0.571 56.993 56.400 0.037 0.000 0.823 174 E CB -0.140 29.570 29.700 0.017 0.000 0.766 174 E HN 0.272 nan 8.360 nan 0.000 0.468 175 N N -0.216 118.524 118.700 0.066 0.000 2.701 175 N HA 0.130 4.871 4.740 0.000 0.000 0.258 175 N C -2.587 172.999 175.510 0.125 0.000 1.262 175 N CA -1.561 51.548 53.050 0.099 0.000 0.780 175 N CB 1.438 39.984 38.487 0.099 0.000 1.380 175 N HN -0.322 nan 8.380 nan 0.000 0.548 176 P HA 0.024 nan 4.420 nan 0.000 0.223 176 P C 0.226 177.548 177.300 0.037 0.000 1.144 176 P CA 0.827 64.001 63.100 0.124 0.000 0.783 176 P CB 0.139 31.941 31.700 0.170 0.000 0.771 177 c N -1.873 116.745 118.600 0.030 0.000 2.525 177 c HA 0.157 4.727 4.570 0.000 0.000 0.313 177 c C 2.199 176.259 174.090 -0.049 0.000 1.311 177 c CA -0.778 55.502 56.329 -0.082 0.000 1.725 177 c CB -2.550 39.915 42.510 -0.075 0.000 1.926 177 c HN 0.373 nan 8.230 nan 0.000 0.595 178 Y N 2.847 123.093 120.300 -0.092 0.000 2.145 178 Y HA -0.190 4.360 4.550 0.000 0.000 0.286 178 Y C 1.842 177.694 175.900 -0.081 0.000 1.145 178 Y CA 2.149 60.209 58.100 -0.065 0.000 1.148 178 Y CB -0.639 37.791 38.460 -0.050 0.000 0.981 178 Y HN 0.368 nan 8.280 nan 0.000 0.507 179 D N 0.477 120.001 120.400 -1.460 0.000 2.363 179 D HA 0.006 4.646 4.640 0.000 0.000 0.226 179 D C 0.163 176.152 176.300 -0.518 0.000 1.020 179 D CA 0.388 53.687 54.000 -1.167 0.000 0.892 179 D CB -0.422 39.685 40.800 -1.155 0.000 0.900 179 D HN 0.476 nan 8.370 nan 0.000 0.531 180 M N -0.498 118.874 119.600 -0.379 0.000 2.753 180 M HA 0.333 4.813 4.480 0.000 0.000 0.299 180 M C 0.651 176.862 176.300 -0.148 0.000 1.219 180 M CA -0.795 54.368 55.300 -0.228 0.000 0.900 180 M CB 1.985 34.448 32.600 -0.227 0.000 1.628 180 M HN -0.407 nan 8.290 nan 0.000 0.502 181 K N 0.277 120.630 120.400 -0.080 0.000 2.745 181 K HA 0.167 4.487 4.320 0.000 0.000 0.223 181 K C -0.144 176.455 176.600 -0.002 0.000 1.057 181 K CA 0.020 56.285 56.287 -0.038 0.000 1.217 181 K CB -0.097 32.391 32.500 -0.020 0.000 0.993 181 K HN 0.572 nan 8.250 nan 0.000 0.478 182 T N -0.989 113.565 114.554 -0.001 0.000 2.696 182 T HA 0.338 4.688 4.350 0.000 0.000 0.291 182 T C -1.205 173.528 174.700 0.055 0.000 1.095 182 T CA -0.468 61.660 62.100 0.046 0.000 1.026 182 T CB 1.962 70.887 68.868 0.095 0.000 1.390 182 T HN -0.089 nan 8.240 nan 0.000 0.513 183 T N 1.174 115.781 114.554 0.088 0.000 2.861 183 T HA 0.668 5.018 4.350 0.000 0.000 0.287 183 T C -0.466 174.311 174.700 0.128 0.000 1.003 183 T CA -0.569 61.587 62.100 0.094 0.000 0.977 183 T CB 0.257 69.174 68.868 0.081 0.000 0.996 183 T HN 1.012 nan 8.240 nan 0.000 0.448 184 c N 1.929 120.608 118.600 0.132 0.000 3.259 184 c HA 0.817 5.387 4.570 0.000 0.000 0.328 184 c C -0.287 173.895 174.090 0.152 0.000 1.425 184 c CA -1.427 55.000 56.329 0.163 0.000 1.465 184 c CB -0.210 42.430 42.510 0.217 0.000 1.890 184 c HN 0.859 nan 8.230 nan 0.000 0.450 185 L N 1.893 123.225 121.223 0.182 0.000 2.452 185 L HA 0.371 4.711 4.340 0.000 0.000 0.267 185 L C -1.967 175.034 176.870 0.217 0.000 1.188 185 L CA -1.139 53.819 54.840 0.197 0.000 0.821 185 L CB 0.251 42.464 42.059 0.257 0.000 1.102 185 L HN 0.475 nan 8.230 nan 0.000 0.470 186 P HA -0.039 nan 4.420 nan 0.000 0.267 186 P C -0.245 177.228 177.300 0.288 0.000 1.201 186 P CA 0.000 63.220 63.100 0.199 0.000 0.775 186 P CB 0.439 32.233 31.700 0.157 0.000 0.854 187 M N 2.837 122.572 119.600 0.224 0.000 2.249 187 M HA 0.231 4.711 4.480 0.000 0.000 0.340 187 M C -0.436 176.048 176.300 0.307 0.000 1.166 187 M CA 0.748 56.157 55.300 0.183 0.000 1.115 187 M CB -0.279 32.399 32.600 0.131 0.000 1.606 187 M HN 0.282 nan 8.290 nan 0.000 0.448 188 F N 1.176 121.251 119.950 0.207 0.000 2.588 188 F HA 0.721 5.248 4.527 0.000 0.000 0.310 188 F C 0.320 176.283 175.800 0.272 0.000 1.082 188 F CA -0.937 57.218 58.000 0.259 0.000 0.929 188 F CB 0.631 39.807 39.000 0.293 0.000 1.254 188 F HN 0.547 nan 8.300 nan 0.000 0.455 189 G N 0.636 109.700 108.800 0.440 0.000 2.499 189 G HA2 0.108 4.068 3.960 0.000 0.000 0.213 189 G HA3 0.108 4.068 3.960 0.000 0.000 0.213 189 G C -1.152 174.096 174.900 0.579 0.000 1.230 189 G CA 0.975 46.323 45.100 0.414 0.000 0.813 189 G HN 0.784 nan 8.290 nan 0.000 0.542 190 Y N 0.846 121.441 120.300 0.491 0.000 2.441 190 Y HA 0.555 5.105 4.550 0.000 0.000 0.334 190 Y C -1.150 174.913 175.900 0.271 0.000 1.061 190 Y CA -1.793 56.566 58.100 0.433 0.000 1.032 190 Y CB 1.433 40.066 38.460 0.289 0.000 1.266 190 Y HN 0.308 nan 8.280 nan 0.000 0.441 191 K N 4.041 124.113 120.400 -0.547 0.000 2.443 191 K HA 0.402 4.722 4.320 0.000 0.000 0.252 191 K C -1.851 174.288 176.600 -0.770 0.000 0.933 191 K CA -0.958 54.814 56.287 -0.859 0.000 0.792 191 K CB 1.723 33.591 32.500 -1.054 0.000 1.185 191 K HN 0.805 nan 8.250 nan 0.000 0.425 192 H N 2.433 121.092 119.070 -0.685 0.000 2.722 192 H HA 0.212 4.768 4.556 0.000 0.000 0.328 192 H C -0.140 175.140 175.328 -0.079 0.000 1.067 192 H CA -0.052 55.875 56.048 -0.202 0.000 1.447 192 H CB 1.165 30.900 29.762 -0.045 0.000 1.469 192 H HN 0.488 nan 8.280 nan 0.000 0.544 193 V N 4.419 124.022 119.914 -0.519 0.000 2.911 193 V HA 0.131 4.251 4.120 0.000 0.000 0.237 193 V C -0.336 175.491 176.094 -0.444 0.000 1.156 193 V CA 0.185 62.271 62.300 -0.357 0.000 1.180 193 V CB 0.171 31.964 31.823 -0.049 0.000 0.932 193 V HN 0.567 nan 8.190 nan 0.000 0.483 194 L N 0.701 121.670 121.223 -0.424 0.000 2.446 194 L HA 0.575 4.915 4.340 0.000 0.000 0.268 194 L C -0.152 176.795 176.870 0.127 0.000 0.975 194 L CA 0.094 54.852 54.840 -0.136 0.000 0.848 194 L CB 1.426 43.464 42.059 -0.035 0.000 1.225 194 L HN 0.066 nan 8.230 nan 0.000 0.410 195 T N 5.183 119.886 114.554 0.249 0.000 2.940 195 T HA 0.266 4.616 4.350 0.000 0.000 0.309 195 T C 0.547 175.363 174.700 0.194 0.000 1.056 195 T CA -0.067 62.238 62.100 0.341 0.000 1.137 195 T CB 0.103 69.106 68.868 0.225 0.000 0.976 195 T HN 0.495 nan 8.240 nan 0.000 0.547 196 L N 3.003 124.297 121.223 0.119 0.000 2.640 196 L HA 0.154 4.494 4.340 0.000 0.000 0.280 196 L C 1.006 177.919 176.870 0.071 0.000 1.229 196 L CA 0.439 55.327 54.840 0.080 0.000 0.919 196 L CB -0.099 41.941 42.059 -0.031 0.000 1.168 196 L HN 0.652 nan 8.230 nan 0.000 0.496 197 T N 0.028 114.633 114.554 0.084 0.000 2.900 197 T HA 0.256 4.606 4.350 0.000 0.000 0.303 197 T C 0.260 174.988 174.700 0.047 0.000 1.142 197 T CA -0.680 61.457 62.100 0.060 0.000 1.007 197 T CB 1.432 70.337 68.868 0.062 0.000 1.156 197 T HN 0.693 nan 8.240 nan 0.000 0.490 198 D N 1.693 122.111 120.400 0.029 0.000 2.355 198 D HA 0.015 4.655 4.640 0.000 0.000 0.218 198 D C 0.343 176.650 176.300 0.011 0.000 1.004 198 D CA 0.302 54.310 54.000 0.014 0.000 0.880 198 D CB 0.160 40.964 40.800 0.006 0.000 0.911 198 D HN 0.309 nan 8.370 nan 0.000 0.528 199 Q N 1.325 121.138 119.800 0.022 0.000 2.553 199 Q HA 0.118 4.458 4.340 0.000 0.000 0.221 199 Q C 1.534 177.553 176.000 0.031 0.000 1.219 199 Q CA -0.133 55.682 55.803 0.020 0.000 0.955 199 Q CB 1.397 30.147 28.738 0.020 0.000 1.399 199 Q HN 0.311 nan 8.270 nan 0.000 0.551 200 V N 0.334 120.257 119.914 0.015 0.000 2.759 200 V HA -0.194 3.926 4.120 0.000 0.000 0.256 200 V C 1.860 177.984 176.094 0.049 0.000 1.080 200 V CA 2.009 64.317 62.300 0.013 0.000 1.101 200 V CB -1.186 30.610 31.823 -0.044 0.000 0.698 200 V HN 0.625 nan 8.190 nan 0.000 0.477 201 T N -1.988 112.584 114.554 0.030 0.000 2.867 201 T HA -0.131 4.219 4.350 0.000 0.000 0.268 201 T C 2.047 176.767 174.700 0.032 0.000 1.057 201 T CA 1.019 63.135 62.100 0.026 0.000 1.136 201 T CB -0.508 68.363 68.868 0.005 0.000 0.874 201 T HN 0.410 nan 8.240 nan 0.000 0.466 202 R N 0.160 120.683 120.500 0.038 0.000 2.105 202 R HA 0.014 4.354 4.340 0.000 0.000 0.239 202 R C 2.037 178.346 176.300 0.015 0.000 1.135 202 R CA 1.165 57.275 56.100 0.017 0.000 0.967 202 R CB -1.138 29.177 30.300 0.026 0.000 0.861 202 R HN 0.555 nan 8.270 nan 0.000 0.442 203 F N 2.407 122.307 119.950 -0.084 0.000 2.102 203 F HA -0.207 4.320 4.527 0.000 0.000 0.298 203 F C 1.917 177.608 175.800 -0.182 0.000 1.105 203 F CA 1.490 59.415 58.000 -0.124 0.000 1.239 203 F CB -0.185 38.760 39.000 -0.092 0.000 0.991 203 F HN 0.002 nan 8.300 nan 0.000 0.474 204 N N 0.790 119.580 118.700 0.151 0.000 2.094 204 N HA -0.207 4.534 4.740 0.000 0.000 0.191 204 N C 1.690 177.134 175.510 -0.110 0.000 1.023 204 N CA 1.906 54.965 53.050 0.015 0.000 0.857 204 N CB -0.609 37.891 38.487 0.023 0.000 1.013 204 N HN 0.494 nan 8.380 nan 0.000 0.426 205 E N 0.477 120.618 120.200 -0.098 0.000 2.031 205 E HA -0.132 4.218 4.350 0.000 0.000 0.193 205 E C 1.687 178.172 176.600 -0.191 0.000 0.994 205 E CA 0.825 57.156 56.400 -0.116 0.000 0.800 205 E CB 0.018 29.669 29.700 -0.081 0.000 0.752 205 E HN 0.303 nan 8.360 nan 0.000 0.447 206 E N 0.509 120.550 120.200 -0.265 0.000 2.077 206 E HA -0.135 4.215 4.350 0.000 0.000 0.193 206 E C 2.349 178.642 176.600 -0.510 0.000 0.989 206 E CA 0.613 56.799 56.400 -0.357 0.000 0.800 206 E CB -0.395 29.069 29.700 -0.393 0.000 0.746 206 E HN 0.103 nan 8.360 nan 0.000 0.452 207 V N 1.865 121.366 119.914 -0.687 0.000 2.332 207 V HA -0.265 3.855 4.120 0.000 0.000 0.248 207 V C 2.186 178.046 176.094 -0.390 0.000 1.055 207 V CA 1.844 63.689 62.300 -0.758 0.000 1.038 207 V CB -0.401 30.980 31.823 -0.737 0.000 0.651 207 V HN 0.256 nan 8.190 nan 0.000 0.450 208 K N -0.231 120.017 120.400 -0.253 0.000 2.362 208 K HA -0.122 4.198 4.320 0.000 0.000 0.200 208 K C 1.900 178.428 176.600 -0.120 0.000 1.046 208 K CA 0.877 57.081 56.287 -0.139 0.000 0.952 208 K CB -0.131 32.312 32.500 -0.095 0.000 0.753 208 K HN 0.438 nan 8.250 nan 0.000 0.466 209 K N 0.419 120.724 120.400 -0.160 0.000 2.426 209 K HA 0.045 4.365 4.320 0.000 0.000 0.193 209 K C 0.391 176.922 176.600 -0.114 0.000 1.028 209 K CA 0.166 56.382 56.287 -0.119 0.000 1.047 209 K CB 0.405 32.831 32.500 -0.123 0.000 0.821 209 K HN 0.085 nan 8.250 nan 0.000 0.513 210 Q N 0.984 120.692 119.800 -0.153 0.000 2.306 210 Q HA 0.154 4.494 4.340 0.000 0.000 0.241 210 Q C 0.011 175.989 176.000 -0.037 0.000 0.948 210 Q CA 0.107 55.843 55.803 -0.110 0.000 0.886 210 Q CB 1.789 30.432 28.738 -0.159 0.000 1.227 210 Q HN 0.125 nan 8.270 nan 0.000 0.457 211 S N -1.271 114.439 115.700 0.017 0.000 2.618 211 S HA 0.657 5.127 4.470 0.000 0.000 0.277 211 S C -0.057 174.612 174.600 0.115 0.000 1.138 211 S CA -0.945 57.285 58.200 0.050 0.000 0.844 211 S CB 0.913 64.152 63.200 0.065 0.000 1.127 211 S HN 0.440 nan 8.310 nan 0.000 0.474 212 V N -0.608 119.357 119.914 0.085 0.000 3.264 212 V HA 0.808 4.928 4.120 0.000 0.000 0.304 212 V C 0.497 176.716 176.094 0.209 0.000 1.086 212 V CA -0.111 62.259 62.300 0.117 0.000 1.090 212 V CB 1.032 32.858 31.823 0.006 0.000 1.112 212 V HN 1.081 nan 8.190 nan 0.000 0.472 213 S N 0.715 116.530 115.700 0.192 0.000 2.894 213 S HA 0.740 5.210 4.470 0.000 0.000 0.298 213 S C -0.437 174.268 174.600 0.175 0.000 1.054 213 S CA -0.975 57.338 58.200 0.188 0.000 0.903 213 S CB 1.493 64.774 63.200 0.135 0.000 1.356 213 S HN 1.129 nan 8.310 nan 0.000 0.626 214 R N 0.666 121.256 120.500 0.150 0.000 2.594 214 R HA 0.405 4.745 4.340 0.000 0.000 0.265 214 R C -1.748 174.683 176.300 0.219 0.000 1.070 214 R CA -0.322 55.881 56.100 0.172 0.000 0.909 214 R CB 1.095 31.461 30.300 0.110 0.000 1.243 214 R HN 1.004 nan 8.270 nan 0.000 0.455 215 N N 0.540 119.367 118.700 0.212 0.000 2.972 215 N HA 0.318 5.058 4.740 0.000 0.000 0.262 215 N C -0.114 175.445 175.510 0.082 0.000 1.478 215 N CA -1.010 52.128 53.050 0.147 0.000 0.841 215 N CB 1.688 40.230 38.487 0.092 0.000 1.512 215 N HN 0.499 nan 8.380 nan 0.000 0.548 216 R N -0.767 119.640 120.500 -0.155 0.000 2.075 216 R HA 0.036 4.376 4.340 0.000 0.000 0.220 216 R C -0.569 175.739 176.300 0.015 0.000 1.118 216 R CA 0.996 56.983 56.100 -0.189 0.000 0.986 216 R CB -0.253 29.768 30.300 -0.465 0.000 0.884 216 R HN 0.835 nan 8.270 nan 0.000 0.439 217 D N -0.903 119.544 120.400 0.079 0.000 2.217 217 D HA 0.186 4.826 4.640 0.000 0.000 0.248 217 D C 0.413 176.743 176.300 0.051 0.000 1.008 217 D CA -0.096 53.962 54.000 0.097 0.000 0.914 217 D CB 1.644 42.560 40.800 0.192 0.000 1.182 217 D HN 0.100 nan 8.370 nan 0.000 0.451 218 A N 1.578 124.403 122.820 0.008 0.000 1.858 218 A HA 0.062 4.382 4.320 0.000 0.000 0.216 218 A C -1.418 176.105 177.584 -0.101 0.000 1.190 218 A CA 0.779 52.800 52.037 -0.026 0.000 0.617 218 A CB -1.774 17.210 19.000 -0.027 0.000 0.827 218 A HN 0.587 nan 8.150 nan 0.000 0.443 219 P HA 0.212 nan 4.420 nan 0.000 0.268 219 P C -0.138 176.892 177.300 -0.449 0.000 1.204 219 P CA 0.291 63.106 63.100 -0.475 0.000 0.768 219 P CB 0.589 31.746 31.700 -0.905 0.000 0.842 220 E N 1.235 121.303 120.200 -0.221 0.000 2.285 220 E HA 0.426 4.776 4.350 0.000 0.000 0.254 220 E C 1.050 177.679 176.600 0.049 0.000 1.011 220 E CA -0.806 55.611 56.400 0.028 0.000 0.873 220 E CB 0.658 30.494 29.700 0.228 0.000 1.229 220 E HN 0.449 nan 8.360 nan 0.000 0.422 221 G N -0.373 108.559 108.800 0.220 0.000 3.702 221 G HA2 0.185 4.145 3.960 0.000 0.000 0.288 221 G HA3 0.185 4.145 3.960 0.000 0.000 0.288 221 G C 0.947 175.854 174.900 0.012 0.000 1.193 221 G CA 0.243 45.483 45.100 0.234 0.000 0.952 221 G HN 0.449 nan 8.290 nan 0.000 0.544 222 G N 0.618 109.245 108.800 -0.289 0.000 2.443 222 G HA2 -0.150 3.810 3.960 0.000 0.000 0.219 222 G HA3 -0.150 3.810 3.960 0.000 0.000 0.219 222 G C 1.355 176.136 174.900 -0.198 0.000 1.131 222 G CA 0.429 45.017 45.100 -0.854 0.000 0.775 222 G HN 0.332 nan 8.290 nan 0.000 0.547 223 F N 1.578 121.368 119.950 -0.267 0.000 2.234 223 F HA 0.042 4.569 4.527 0.000 0.000 0.299 223 F C 2.262 177.940 175.800 -0.203 0.000 1.087 223 F CA 0.258 58.101 58.000 -0.261 0.000 1.340 223 F CB -0.634 38.256 39.000 -0.184 0.000 1.031 223 F HN 0.099 nan 8.300 nan 0.000 0.500 224 D N 0.156 120.618 120.400 0.103 0.000 2.133 224 D HA -0.182 4.458 4.640 0.000 0.000 0.195 224 D C 2.334 178.426 176.300 -0.347 0.000 0.997 224 D CA 1.627 55.584 54.000 -0.071 0.000 0.840 224 D CB -0.355 40.486 40.800 0.069 0.000 0.947 224 D HN 0.218 nan 8.370 nan 0.000 0.452 225 A N 0.152 122.766 122.820 -0.343 0.000 1.930 225 A HA -0.037 4.283 4.320 0.000 0.000 0.215 225 A C 2.393 179.654 177.584 -0.537 0.000 1.176 225 A CA 0.478 52.133 52.037 -0.637 0.000 0.632 225 A CB -0.525 18.258 19.000 -0.361 0.000 0.819 225 A HN 0.187 nan 8.150 nan 0.000 0.445 226 I N -1.007 119.357 120.570 -0.342 0.000 2.208 226 I HA -0.312 3.858 4.170 0.000 0.000 0.245 226 I C 2.651 178.593 176.117 -0.291 0.000 1.097 226 I CA 2.004 63.123 61.300 -0.301 0.000 1.363 226 I CB -0.229 37.512 38.000 -0.431 0.000 1.051 226 I HN 0.447 nan 8.210 nan 0.000 0.413 227 M N 0.402 119.823 119.600 -0.299 0.000 2.086 227 M HA -0.216 4.264 4.480 0.000 0.000 0.261 227 M C 2.256 178.416 176.300 -0.232 0.000 1.067 227 M CA 1.854 57.010 55.300 -0.239 0.000 1.116 227 M CB -0.421 32.063 32.600 -0.193 0.000 1.348 227 M HN 0.067 nan 8.290 nan 0.000 0.407 228 Q N 0.076 119.670 119.800 -0.344 0.000 2.050 228 Q HA -0.032 4.308 4.340 0.000 0.000 0.202 228 Q C 2.282 178.180 176.000 -0.170 0.000 0.980 228 Q CA 1.988 57.636 55.803 -0.259 0.000 0.840 228 Q CB -1.127 27.407 28.738 -0.339 0.000 0.898 228 Q HN 0.693 nan 8.270 nan 0.000 0.424 229 A N 0.355 123.020 122.820 -0.258 0.000 2.024 229 A HA -0.155 4.165 4.320 0.000 0.000 0.220 229 A C 2.284 179.905 177.584 0.062 0.000 1.164 229 A CA 1.932 53.893 52.037 -0.127 0.000 0.643 229 A CB -0.612 18.367 19.000 -0.036 0.000 0.806 229 A HN 0.378 nan 8.150 nan 0.000 0.451 230 T N -0.700 113.843 114.554 -0.019 0.000 2.809 230 T HA -0.043 4.307 4.350 0.000 0.000 0.260 230 T C 1.856 176.534 174.700 -0.037 0.000 1.039 230 T CA 1.861 63.934 62.100 -0.046 0.000 1.141 230 T CB -0.329 68.448 68.868 -0.152 0.000 0.869 230 T HN 0.653 nan 8.240 nan 0.000 0.437 231 V N -1.496 118.387 119.914 -0.052 0.000 3.590 231 V HA 0.280 4.400 4.120 0.000 0.000 0.265 231 V C 1.056 177.135 176.094 -0.026 0.000 1.239 231 V CA -0.220 62.051 62.300 -0.048 0.000 1.117 231 V CB -0.936 30.853 31.823 -0.057 0.000 0.818 231 V HN 0.342 nan 8.190 nan 0.000 0.451 232 c N 2.816 121.405 118.600 -0.019 0.000 2.861 232 c HA 0.326 4.896 4.570 0.000 0.000 0.542 232 c C 1.636 175.698 174.090 -0.047 0.000 1.074 232 c CA -0.515 55.793 56.329 -0.035 0.000 1.232 232 c CB -1.944 40.545 42.510 -0.036 0.000 1.433 232 c HN 0.554 nan 8.230 nan 0.000 0.606 233 D N 1.267 121.667 120.400 0.000 0.000 2.106 233 D HA -0.207 4.434 4.640 0.000 0.000 0.191 233 D C 2.002 178.279 176.300 -0.038 0.000 0.997 233 D CA 1.573 55.598 54.000 0.041 0.000 0.834 233 D CB -0.087 40.734 40.800 0.035 0.000 0.956 233 D HN 0.737 nan 8.370 nan 0.000 0.448 234 E N 0.514 120.685 120.200 -0.048 0.000 2.106 234 E HA -0.166 4.184 4.350 0.000 0.000 0.192 234 E C 1.914 178.448 176.600 -0.111 0.000 0.984 234 E CA 0.801 57.167 56.400 -0.057 0.000 0.806 234 E CB 0.248 29.929 29.700 -0.033 0.000 0.750 234 E HN -0.057 nan 8.360 nan 0.000 0.458 235 K N 0.539 120.843 120.400 -0.159 0.000 2.002 235 K HA -0.130 4.190 4.320 0.000 0.000 0.209 235 K C 2.108 178.413 176.600 -0.493 0.000 1.048 235 K CA 0.985 57.103 56.287 -0.281 0.000 0.930 235 K CB -0.260 32.058 32.500 -0.304 0.000 0.714 235 K HN 0.277 nan 8.250 nan 0.000 0.438 236 I N -0.432 119.816 120.570 -0.537 0.000 2.286 236 I HA -0.080 4.090 4.170 0.000 0.000 0.245 236 I C 1.503 177.297 176.117 -0.538 0.000 1.104 236 I CA 1.458 62.319 61.300 -0.730 0.000 1.397 236 I CB -1.253 36.123 38.000 -1.041 0.000 1.072 236 I HN 0.443 nan 8.210 nan 0.000 0.417 237 G N -0.128 108.439 108.800 -0.388 0.000 2.130 237 G HA2 -0.244 3.716 3.960 0.000 0.000 0.216 237 G HA3 -0.244 3.716 3.960 0.000 0.000 0.216 237 G C -0.161 174.651 174.900 -0.146 0.000 0.999 237 G CA -0.317 44.664 45.100 -0.198 0.000 0.686 237 G HN 0.297 nan 8.290 nan 0.000 0.515 238 W N 0.556 121.794 121.300 -0.105 0.000 2.391 238 W HA 0.374 5.034 4.660 0.000 0.000 0.339 238 W C 1.318 177.820 176.519 -0.028 0.000 1.252 238 W CA -0.302 56.960 57.345 -0.139 0.000 1.304 238 W CB 0.370 29.578 29.460 -0.421 0.000 1.179 238 W HN 0.159 nan 8.180 nan 0.000 0.567 239 R N 2.375 123.103 120.500 0.380 0.000 2.457 239 R HA 0.109 4.449 4.340 0.000 0.000 0.284 239 R C 1.246 177.752 176.300 0.345 0.000 1.024 239 R CA -0.882 55.383 56.100 0.275 0.000 1.025 239 R CB 0.797 31.214 30.300 0.196 0.000 1.063 239 R HN 0.515 nan 8.270 nan 0.000 0.493 240 N N 1.346 120.162 118.700 0.192 0.000 2.036 240 N HA -0.143 4.597 4.740 0.000 0.000 0.195 240 N C -0.366 175.231 175.510 0.144 0.000 1.037 240 N CA 1.498 54.645 53.050 0.163 0.000 0.855 240 N CB 0.112 38.654 38.487 0.093 0.000 1.033 240 N HN 0.547 nan 8.380 nan 0.000 0.423 241 D N 0.549 120.992 120.400 0.070 0.000 2.590 241 D HA 0.473 5.113 4.640 0.000 0.000 0.280 241 D C -0.648 175.559 176.300 -0.156 0.000 1.197 241 D CA -0.001 54.004 54.000 0.008 0.000 0.967 241 D CB 0.799 41.577 40.800 -0.036 0.000 0.987 241 D HN 0.122 nan 8.370 nan 0.000 0.508 242 A N 0.423 123.203 122.820 -0.067 0.000 2.594 242 A HA 0.540 4.860 4.320 0.000 0.000 0.295 242 A C -0.308 177.180 177.584 -0.159 0.000 1.071 242 A CA -0.710 51.267 52.037 -0.101 0.000 0.685 242 A CB 1.427 20.422 19.000 -0.008 0.000 1.285 242 A HN 0.101 nan 8.150 nan 0.000 0.405 243 S N 0.890 116.629 115.700 0.065 0.000 2.531 243 S HA 0.323 4.793 4.470 0.000 0.000 0.279 243 S C -0.500 174.070 174.600 -0.050 0.000 1.305 243 S CA 0.217 58.397 58.200 -0.032 0.000 1.058 243 S CB -0.214 63.108 63.200 0.203 0.000 0.899 243 S HN 0.604 nan 8.310 nan 0.000 0.493 244 H N 2.014 121.126 119.070 0.071 0.000 2.623 244 H HA 0.407 4.963 4.556 0.000 0.000 0.299 244 H C -0.606 174.731 175.328 0.015 0.000 1.052 244 H CA -0.609 55.446 56.048 0.011 0.000 1.231 244 H CB 0.473 29.939 29.762 -0.494 0.000 1.389 244 H HN 0.335 nan 8.280 nan 0.000 0.469 245 L N 4.340 125.778 121.223 0.358 0.000 2.287 245 L HA 0.280 4.620 4.340 0.000 0.000 0.287 245 L C -0.757 176.359 176.870 0.410 0.000 1.022 245 L CA -0.983 54.020 54.840 0.273 0.000 0.814 245 L CB 1.485 43.690 42.059 0.242 0.000 1.217 245 L HN 0.378 nan 8.230 nan 0.000 0.420 246 L N 5.374 126.763 121.223 0.276 0.000 2.277 246 L HA 0.420 4.760 4.340 0.000 0.000 0.284 246 L C -0.461 176.523 176.870 0.189 0.000 1.028 246 L CA -0.224 54.822 54.840 0.344 0.000 0.835 246 L CB 1.459 43.659 42.059 0.236 0.000 1.215 246 L HN 0.266 nan 8.230 nan 0.000 0.425 247 V N 6.080 126.100 119.914 0.177 0.000 2.348 247 V HA 0.259 4.379 4.120 0.000 0.000 0.270 247 V C -0.320 175.771 176.094 -0.005 0.000 1.037 247 V CA -0.320 62.005 62.300 0.042 0.000 0.872 247 V CB 0.685 32.493 31.823 -0.024 0.000 1.002 247 V HN 0.612 nan 8.190 nan 0.000 0.464 248 F N 5.636 125.535 119.950 -0.085 0.000 2.334 248 F HA 0.547 5.074 4.527 0.000 0.000 0.367 248 F C 0.640 176.430 175.800 -0.016 0.000 1.115 248 F CA -0.520 57.479 58.000 -0.003 0.000 1.116 248 F CB 1.070 40.123 39.000 0.088 0.000 1.230 248 F HN 0.555 nan 8.300 nan 0.000 0.484 249 T N 2.306 116.593 114.554 -0.444 0.000 2.771 249 T HA 0.653 5.003 4.350 0.000 0.000 0.281 249 T C -0.289 174.139 174.700 -0.453 0.000 0.982 249 T CA -0.537 61.337 62.100 -0.377 0.000 0.978 249 T CB 1.537 70.233 68.868 -0.286 0.000 0.930 249 T HN 0.676 nan 8.240 nan 0.000 0.447 250 T N 1.323 115.667 114.554 -0.350 0.000 2.840 250 T HA 0.439 4.790 4.350 0.000 0.000 0.317 250 T C -1.049 173.571 174.700 -0.134 0.000 1.401 250 T CA -0.547 61.402 62.100 -0.251 0.000 1.028 250 T CB 1.678 70.417 68.868 -0.215 0.000 1.317 250 T HN 0.753 nan 8.240 nan 0.000 0.495 251 D N 0.927 121.286 120.400 -0.070 0.000 2.479 251 D HA 0.525 5.165 4.640 0.000 0.000 0.218 251 D C 0.241 176.558 176.300 0.028 0.000 1.177 251 D CA -0.205 53.782 54.000 -0.021 0.000 0.830 251 D CB 0.436 41.216 40.800 -0.033 0.000 1.014 251 D HN 0.620 nan 8.370 nan 0.000 0.503 252 A N 0.006 122.864 122.820 0.065 0.000 2.479 252 A HA 0.579 4.899 4.320 0.000 0.000 0.296 252 A C -0.055 177.627 177.584 0.164 0.000 1.121 252 A CA -0.907 51.179 52.037 0.081 0.000 0.743 252 A CB 1.558 20.579 19.000 0.035 0.000 1.323 252 A HN -0.032 nan 8.150 nan 0.000 0.415 253 K N -0.299 120.130 120.400 0.049 0.000 2.274 253 K HA 0.309 4.629 4.320 0.000 0.000 0.255 253 K C -0.029 176.517 176.600 -0.090 0.000 1.005 253 K CA 0.668 56.927 56.287 -0.047 0.000 0.864 253 K CB 0.201 32.618 32.500 -0.139 0.000 1.013 253 K HN 0.633 nan 8.250 nan 0.000 0.519 254 T N 0.163 114.561 114.554 -0.259 0.000 2.909 254 T HA 0.182 4.532 4.350 0.000 0.000 0.299 254 T C -1.036 173.280 174.700 -0.641 0.000 1.073 254 T CA -0.828 61.001 62.100 -0.453 0.000 0.999 254 T CB 0.621 69.091 68.868 -0.663 0.000 1.098 254 T HN 0.382 nan 8.240 nan 0.000 0.477 255 H N 3.133 121.814 119.070 -0.648 0.000 2.690 255 H HA 0.516 5.072 4.556 0.000 0.000 0.365 255 H C 0.472 175.299 175.328 -0.835 0.000 1.142 255 H CA 0.174 55.717 56.048 -0.842 0.000 1.417 255 H CB 0.670 29.509 29.762 -1.539 0.000 1.446 255 H HN 0.651 nan 8.280 nan 0.000 0.599 256 I N -1.467 118.867 120.570 -0.393 0.000 3.174 256 I HA 0.640 4.810 4.170 0.000 0.000 0.313 256 I C -0.082 176.058 176.117 0.039 0.000 1.155 256 I CA -1.630 59.579 61.300 -0.152 0.000 0.977 256 I CB 1.633 39.565 38.000 -0.114 0.000 1.248 256 I HN 0.468 nan 8.210 nan 0.000 0.453 257 A N 2.860 125.755 122.820 0.126 0.000 2.565 257 A HA 0.412 4.732 4.320 0.000 0.000 0.237 257 A C 0.820 178.476 177.584 0.119 0.000 1.053 257 A CA 0.450 52.581 52.037 0.156 0.000 0.755 257 A CB -0.368 18.695 19.000 0.104 0.000 0.980 257 A HN 1.103 nan 8.150 nan 0.000 0.506 258 L N -0.053 121.252 121.223 0.137 0.000 4.110 258 L HA -0.265 4.075 4.340 0.000 0.000 0.404 258 L C 0.996 177.941 176.870 0.125 0.000 0.763 258 L CA 1.008 55.911 54.840 0.105 0.000 2.413 258 L CB -1.513 40.587 42.059 0.069 0.000 1.244 258 L HN 0.715 nan 8.230 nan 0.000 0.614 259 D N 0.732 121.229 120.400 0.162 0.000 2.178 259 D HA -0.070 4.570 4.640 0.000 0.000 0.201 259 D C 1.961 178.405 176.300 0.240 0.000 0.980 259 D CA 1.565 55.668 54.000 0.172 0.000 0.842 259 D CB -0.214 40.644 40.800 0.097 0.000 0.948 259 D HN 0.584 nan 8.370 nan 0.000 0.472 260 G N 0.337 109.317 108.800 0.301 0.000 2.501 260 G HA2 -0.304 3.656 3.960 0.000 0.000 0.220 260 G HA3 -0.304 3.656 3.960 0.000 0.000 0.220 260 G C 1.596 176.563 174.900 0.112 0.000 1.114 260 G CA 0.326 45.546 45.100 0.199 0.000 0.757 260 G HN 0.238 nan 8.290 nan 0.000 0.559 261 R N -0.601 119.954 120.500 0.091 0.000 2.193 261 R HA 0.048 4.388 4.340 0.000 0.000 0.229 261 R C 2.058 178.376 176.300 0.031 0.000 1.110 261 R CA 0.539 56.667 56.100 0.047 0.000 0.988 261 R CB -0.225 30.101 30.300 0.042 0.000 0.871 261 R HN 0.345 nan 8.270 nan 0.000 0.458 262 L N -0.249 121.007 121.223 0.054 0.000 2.275 262 L HA -0.043 4.297 4.340 0.000 0.000 0.215 262 L C 1.670 178.477 176.870 -0.106 0.000 1.119 262 L CA 1.425 56.261 54.840 -0.006 0.000 0.790 262 L CB -0.029 42.047 42.059 0.029 0.000 0.919 262 L HN 0.173 nan 8.230 nan 0.000 0.443 263 A N -1.342 121.428 122.820 -0.084 0.000 2.545 263 A HA 0.525 4.845 4.320 0.000 0.000 0.277 263 A C 1.563 179.108 177.584 -0.065 0.000 1.301 263 A CA 0.365 52.315 52.037 -0.144 0.000 0.935 263 A CB -0.521 18.408 19.000 -0.118 0.000 1.093 263 A HN 0.388 nan 8.150 nan 0.000 0.519 264 G N -0.285 108.490 108.800 -0.041 0.000 2.155 264 G HA2 -0.246 3.714 3.960 0.000 0.000 0.257 264 G HA3 -0.246 3.714 3.960 0.000 0.000 0.257 264 G C 0.059 174.946 174.900 -0.022 0.000 0.983 264 G CA 0.563 45.646 45.100 -0.029 0.000 0.676 264 G HN 0.550 nan 8.290 nan 0.000 0.528 265 I N 0.992 121.553 120.570 -0.015 0.000 2.312 265 I HA 0.396 4.566 4.170 0.000 0.000 0.290 265 I C 1.432 177.543 176.117 -0.011 0.000 1.008 265 I CA -0.444 60.841 61.300 -0.025 0.000 1.226 265 I CB 1.558 39.530 38.000 -0.047 0.000 1.371 265 I HN 0.098 nan 8.210 nan 0.000 0.468 266 V N 1.500 121.406 119.914 -0.013 0.000 3.562 266 V HA 0.169 4.289 4.120 0.000 0.000 0.270 266 V C 0.800 176.892 176.094 -0.003 0.000 1.418 266 V CA -0.158 62.142 62.300 -0.000 0.000 1.033 266 V CB -0.143 31.681 31.823 0.001 0.000 0.820 266 V HN 0.779 nan 8.190 nan 0.000 0.441 267 Q N 2.557 122.348 119.800 -0.015 0.000 2.247 267 Q HA 0.191 4.531 4.340 0.000 0.000 0.288 267 Q C -2.299 173.697 176.000 -0.005 0.000 1.079 267 Q CA -1.395 54.400 55.803 -0.014 0.000 0.932 267 Q CB 0.803 29.523 28.738 -0.029 0.000 1.133 267 Q HN 0.354 nan 8.270 nan 0.000 0.377 268 P HA -0.084 nan 4.420 nan 0.000 0.267 268 P C -0.547 176.768 177.300 0.025 0.000 1.200 268 P CA -0.084 63.028 63.100 0.020 0.000 0.772 268 P CB 0.442 32.154 31.700 0.021 0.000 0.855 269 N N 2.488 121.211 118.700 0.038 0.000 2.454 269 N HA -0.071 4.669 4.740 0.000 0.000 0.260 269 N C 0.464 176.010 175.510 0.060 0.000 1.218 269 N CA 0.258 53.342 53.050 0.057 0.000 0.904 269 N CB 0.472 38.998 38.487 0.066 0.000 1.065 269 N HN 0.383 nan 8.380 nan 0.000 0.462 270 D N 2.040 122.495 120.400 0.092 0.000 2.339 270 D HA 0.110 4.750 4.640 0.000 0.000 0.217 270 D C 1.124 177.474 176.300 0.084 0.000 1.050 270 D CA 0.476 54.532 54.000 0.093 0.000 0.856 270 D CB -0.316 40.561 40.800 0.128 0.000 0.922 270 D HN 0.703 nan 8.370 nan 0.000 0.518 271 G N -0.149 108.700 108.800 0.083 0.000 2.155 271 G HA2 -0.274 3.686 3.960 0.000 0.000 0.257 271 G HA3 -0.274 3.686 3.960 0.000 0.000 0.257 271 G C 0.036 174.955 174.900 0.032 0.000 0.983 271 G CA 0.232 45.354 45.100 0.037 0.000 0.676 271 G HN 0.386 nan 8.290 nan 0.000 0.528 272 Q N -0.939 118.907 119.800 0.077 0.000 2.241 272 Q HA 0.552 4.892 4.340 0.000 0.000 0.262 272 Q C 0.534 176.488 176.000 -0.078 0.000 1.014 272 Q CA -0.756 55.031 55.803 -0.026 0.000 0.885 272 Q CB 1.504 30.195 28.738 -0.078 0.000 1.311 272 Q HN 0.409 nan 8.270 nan 0.000 0.461 273 c N 1.164 119.661 118.600 -0.172 0.000 2.585 273 c HA 0.236 4.806 4.570 0.000 0.000 0.406 273 c C 0.212 174.118 174.090 -0.307 0.000 1.312 273 c CA 0.158 56.417 56.329 -0.117 0.000 1.924 273 c CB -1.097 41.370 42.510 -0.072 0.000 2.578 273 c HN 0.756 nan 8.230 nan 0.000 0.580 274 H N 2.333 121.543 119.070 0.234 0.000 2.767 274 H HA 0.316 4.872 4.556 0.000 0.000 0.235 274 H C -0.549 174.945 175.328 0.276 0.000 1.256 274 H CA -0.230 55.958 56.048 0.234 0.000 0.957 274 H CB 0.550 30.456 29.762 0.240 0.000 2.117 274 H HN 0.417 nan 8.280 nan 0.000 0.602 275 V N 1.384 121.470 119.914 0.286 0.000 2.334 275 V HA 0.541 4.661 4.120 0.000 0.000 0.281 275 V C 0.895 177.074 176.094 0.142 0.000 1.016 275 V CA -0.423 62.025 62.300 0.245 0.000 0.832 275 V CB 1.132 33.095 31.823 0.235 0.000 0.999 275 V HN 0.583 nan 8.190 nan 0.000 0.439 276 G N 2.881 111.761 108.800 0.133 0.000 2.782 276 G HA2 0.354 4.314 3.960 0.000 0.000 0.201 276 G HA3 0.354 4.314 3.960 0.000 0.000 0.201 276 G C 1.264 176.215 174.900 0.085 0.000 1.374 276 G CA 0.430 45.584 45.100 0.090 0.000 1.039 276 G HN 0.710 nan 8.290 nan 0.000 0.576 277 S N 0.321 116.061 115.700 0.067 0.000 2.383 277 S HA -0.185 4.285 4.470 0.000 0.000 0.229 277 S C 1.669 176.312 174.600 0.072 0.000 1.030 277 S CA 2.086 60.322 58.200 0.060 0.000 1.002 277 S CB -0.473 62.752 63.200 0.042 0.000 0.829 277 S HN 0.693 nan 8.310 nan 0.000 0.467 278 D N 1.084 121.531 120.400 0.078 0.000 2.348 278 D HA -0.104 4.536 4.640 0.000 0.000 0.216 278 D C 0.210 176.614 176.300 0.174 0.000 0.970 278 D CA 0.647 54.702 54.000 0.091 0.000 0.889 278 D CB -0.623 40.209 40.800 0.053 0.000 0.912 278 D HN 0.343 nan 8.370 nan 0.000 0.524 279 N N -0.082 118.717 118.700 0.165 0.000 2.925 279 N HA -0.148 4.592 4.740 0.000 0.000 0.244 279 N C -0.786 174.773 175.510 0.082 0.000 1.000 279 N CA 0.592 53.727 53.050 0.142 0.000 0.895 279 N CB -1.736 36.814 38.487 0.106 0.000 1.119 279 N HN 0.591 nan 8.380 nan 0.000 0.569 280 H N -0.649 118.447 119.070 0.044 0.000 2.567 280 H HA 0.185 4.741 4.556 0.000 0.000 0.345 280 H C -0.392 175.066 175.328 0.216 0.000 1.169 280 H CA -0.547 55.550 56.048 0.082 0.000 1.227 280 H CB 1.041 30.857 29.762 0.091 0.000 1.607 280 H HN 0.017 nan 8.280 nan 0.000 0.534 281 Y N 2.687 123.140 120.300 0.254 0.000 2.624 281 Y HA -0.062 4.488 4.550 0.000 0.000 0.354 281 Y C 1.327 177.363 175.900 0.227 0.000 1.051 281 Y CA -0.782 57.494 58.100 0.294 0.000 1.377 281 Y CB 0.209 38.904 38.460 0.393 0.000 1.168 281 Y HN 0.559 nan 8.280 nan 0.000 0.525 282 S N 3.325 119.048 115.700 0.038 0.000 2.481 282 S HA -0.041 4.429 4.470 0.000 0.000 0.231 282 S C 1.583 175.987 174.600 -0.326 0.000 0.996 282 S CA 0.532 58.684 58.200 -0.080 0.000 0.942 282 S CB -0.197 63.019 63.200 0.027 0.000 0.768 282 S HN 0.701 nan 8.310 nan 0.000 0.520 283 A N 0.949 123.328 122.820 -0.735 0.000 2.379 283 A HA 0.484 4.804 4.320 0.000 0.000 0.236 283 A C 1.911 179.008 177.584 -0.812 0.000 1.272 283 A CA 0.486 52.074 52.037 -0.747 0.000 0.886 283 A CB -0.716 17.817 19.000 -0.779 0.000 0.962 283 A HN 0.481 nan 8.150 nan 0.000 0.504 284 S N 0.474 115.656 115.700 -0.863 0.000 2.383 284 S HA -0.170 4.300 4.470 0.000 0.000 0.229 284 S C 1.998 176.502 174.600 -0.160 0.000 1.030 284 S CA 2.476 60.482 58.200 -0.324 0.000 1.002 284 S CB -0.295 62.923 63.200 0.030 0.000 0.829 284 S HN 0.811 nan 8.310 nan 0.000 0.467 285 T N -2.171 112.291 114.554 -0.154 0.000 3.069 285 T HA 0.171 4.521 4.350 0.000 0.000 0.252 285 T C 1.255 175.891 174.700 -0.107 0.000 1.053 285 T CA 0.825 62.874 62.100 -0.086 0.000 0.964 285 T CB 0.189 69.031 68.868 -0.042 0.000 1.005 285 T HN 0.476 nan 8.240 nan 0.000 0.532 286 T N -1.639 112.821 114.554 -0.157 0.000 3.004 286 T HA 0.482 4.832 4.350 0.000 0.000 0.266 286 T C 0.070 174.690 174.700 -0.134 0.000 0.986 286 T CA -0.578 61.441 62.100 -0.134 0.000 0.902 286 T CB 0.023 68.806 68.868 -0.142 0.000 1.118 286 T HN 0.381 nan 8.240 nan 0.000 0.522 287 M N 1.974 121.481 119.600 -0.156 0.000 2.464 287 M HA 0.510 4.990 4.480 0.000 0.000 0.308 287 M C -1.633 174.595 176.300 -0.119 0.000 1.127 287 M CA -0.703 54.530 55.300 -0.111 0.000 0.913 287 M CB 2.173 34.709 32.600 -0.106 0.000 1.689 287 M HN -0.121 nan 8.290 nan 0.000 0.445 288 D N 2.087 122.437 120.400 -0.083 0.000 2.368 288 D HA 0.114 4.754 4.640 0.000 0.000 0.240 288 D C -1.023 175.232 176.300 -0.075 0.000 1.169 288 D CA 0.536 54.475 54.000 -0.101 0.000 0.906 288 D CB 0.511 41.317 40.800 0.011 0.000 1.187 288 D HN 0.386 nan 8.370 nan 0.000 0.435 289 Y N 1.269 121.598 120.300 0.048 0.000 2.683 289 Y HA 0.120 4.670 4.550 0.000 0.000 0.340 289 Y C -1.282 174.651 175.900 0.055 0.000 1.245 289 Y CA -0.977 57.157 58.100 0.057 0.000 1.485 289 Y CB -0.333 38.151 38.460 0.040 0.000 1.328 289 Y HN 0.251 nan 8.280 nan 0.000 0.603 290 P HA 0.098 nan 4.420 nan 0.000 0.276 290 P C -0.718 176.640 177.300 0.097 0.000 1.244 290 P CA -0.561 62.598 63.100 0.099 0.000 0.801 290 P CB 1.274 32.987 31.700 0.021 0.000 1.006 291 S N 1.347 117.072 115.700 0.042 0.000 2.632 291 S HA 0.216 4.686 4.470 0.000 0.000 0.267 291 S C 1.630 176.207 174.600 -0.039 0.000 1.276 291 S CA -0.709 57.505 58.200 0.023 0.000 0.998 291 S CB 0.025 63.235 63.200 0.018 0.000 0.953 291 S HN 0.350 nan 8.310 nan 0.000 0.547 292 L N 1.433 122.627 121.223 -0.050 0.000 2.042 292 L HA -0.036 4.304 4.340 0.000 0.000 0.210 292 L C 2.856 179.672 176.870 -0.089 0.000 1.076 292 L CA 1.635 56.412 54.840 -0.105 0.000 0.749 292 L CB -1.401 40.624 42.059 -0.056 0.000 0.893 292 L HN 0.982 nan 8.230 nan 0.000 0.432 293 G N 0.087 108.857 108.800 -0.050 0.000 2.418 293 G HA2 -0.265 3.695 3.960 0.000 0.000 0.217 293 G HA3 -0.265 3.695 3.960 0.000 0.000 0.217 293 G C 1.583 176.448 174.900 -0.058 0.000 1.158 293 G CA 0.645 45.719 45.100 -0.044 0.000 0.771 293 G HN 0.213 nan 8.290 nan 0.000 0.545 294 L N 0.195 121.384 121.223 -0.056 0.000 2.093 294 L HA 0.187 4.527 4.340 0.000 0.000 0.208 294 L C 2.840 179.652 176.870 -0.096 0.000 1.085 294 L CA 1.448 56.253 54.840 -0.059 0.000 0.755 294 L CB -0.304 41.732 42.059 -0.038 0.000 0.904 294 L HN 0.228 nan 8.230 nan 0.000 0.435 295 M N -1.538 117.979 119.600 -0.139 0.000 2.086 295 M HA -0.192 4.288 4.480 0.000 0.000 0.261 295 M C 2.038 178.230 176.300 -0.179 0.000 1.067 295 M CA 2.229 57.407 55.300 -0.203 0.000 1.116 295 M CB -0.677 31.725 32.600 -0.330 0.000 1.348 295 M HN 0.205 nan 8.290 nan 0.000 0.407 296 T N -0.031 114.434 114.554 -0.147 0.000 2.684 296 T HA -0.226 4.124 4.350 0.000 0.000 0.267 296 T C 1.648 176.286 174.700 -0.103 0.000 1.036 296 T CA 1.780 63.809 62.100 -0.118 0.000 1.148 296 T CB -0.359 68.459 68.868 -0.084 0.000 0.863 296 T HN 0.504 nan 8.240 nan 0.000 0.436 297 E N 0.627 120.774 120.200 -0.087 0.000 2.051 297 E HA -0.209 4.141 4.350 0.000 0.000 0.192 297 E C 2.093 178.641 176.600 -0.087 0.000 0.991 297 E CA 1.017 57.374 56.400 -0.073 0.000 0.799 297 E CB 0.084 29.750 29.700 -0.056 0.000 0.748 297 E HN 0.189 nan 8.360 nan 0.000 0.449 298 K N 0.467 120.805 120.400 -0.102 0.000 2.062 298 K HA -0.080 4.240 4.320 0.000 0.000 0.205 298 K C 2.344 178.856 176.600 -0.146 0.000 1.051 298 K CA 0.691 56.909 56.287 -0.114 0.000 0.941 298 K CB -0.500 31.931 32.500 -0.116 0.000 0.719 298 K HN 0.266 nan 8.250 nan 0.000 0.440 299 L N 0.951 122.074 121.223 -0.167 0.000 2.083 299 L HA -0.169 4.171 4.340 0.000 0.000 0.209 299 L C 2.680 179.453 176.870 -0.163 0.000 1.083 299 L CA 1.280 56.003 54.840 -0.195 0.000 0.752 299 L CB -0.503 41.432 42.059 -0.206 0.000 0.899 299 L HN 0.164 nan 8.230 nan 0.000 0.433 300 S N -0.691 114.935 115.700 -0.124 0.000 2.357 300 S HA -0.244 4.226 4.470 0.000 0.000 0.221 300 S C 2.025 176.574 174.600 -0.085 0.000 1.031 300 S CA 1.388 59.532 58.200 -0.094 0.000 0.982 300 S CB -0.126 63.030 63.200 -0.073 0.000 0.853 300 S HN 0.486 nan 8.310 nan 0.000 0.458 301 Q N 0.021 119.770 119.800 -0.086 0.000 2.084 301 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 301 Q C 1.293 177.240 176.000 -0.088 0.000 0.978 301 Q CA 1.237 56.996 55.803 -0.073 0.000 0.844 301 Q CB -0.040 28.657 28.738 -0.067 0.000 0.898 301 Q HN 0.297 nan 8.270 nan 0.000 0.426 302 K N 0.397 120.714 120.400 -0.138 0.000 2.404 302 K HA 0.028 4.348 4.320 0.000 0.000 0.194 302 K C 0.336 176.809 176.600 -0.212 0.000 1.023 302 K CA 0.090 56.258 56.287 -0.198 0.000 1.094 302 K CB 0.190 32.519 32.500 -0.286 0.000 0.841 302 K HN 0.258 nan 8.250 nan 0.000 0.523 303 N N 1.192 119.808 118.700 -0.141 0.000 2.783 303 N HA -0.158 4.582 4.740 0.000 0.000 0.247 303 N C -1.112 174.335 175.510 -0.106 0.000 1.089 303 N CA 0.337 53.343 53.050 -0.073 0.000 0.690 303 N CB -0.940 37.570 38.487 0.038 0.000 0.991 303 N HN 0.073 nan 8.380 nan 0.000 0.552 304 I N 1.196 121.615 120.570 -0.252 0.000 2.353 304 I HA 0.197 4.367 4.170 0.000 0.000 0.293 304 I C 0.462 176.456 176.117 -0.206 0.000 0.992 304 I CA -0.484 60.611 61.300 -0.343 0.000 1.268 304 I CB 1.028 38.732 38.000 -0.493 0.000 1.387 304 I HN 0.065 nan 8.210 nan 0.000 0.478 305 N N 5.548 124.162 118.700 -0.143 0.000 2.437 305 N HA 0.266 5.006 4.740 0.000 0.000 0.243 305 N C -0.446 174.998 175.510 -0.110 0.000 1.041 305 N CA -0.480 52.510 53.050 -0.100 0.000 0.940 305 N CB 0.828 39.294 38.487 -0.036 0.000 1.133 305 N HN 0.368 nan 8.380 nan 0.000 0.506 306 L N 3.959 125.066 121.223 -0.193 0.000 2.319 306 L HA 0.426 4.766 4.340 0.000 0.000 0.280 306 L C -0.847 175.840 176.870 -0.305 0.000 1.099 306 L CA 0.023 54.691 54.840 -0.287 0.000 0.828 306 L CB 0.247 42.021 42.059 -0.475 0.000 1.150 306 L HN 0.495 nan 8.230 nan 0.000 0.442 307 I N 6.050 126.495 120.570 -0.209 0.000 2.382 307 I HA 0.223 4.393 4.170 0.000 0.000 0.285 307 I C -0.912 175.172 176.117 -0.055 0.000 1.007 307 I CA -0.422 60.812 61.300 -0.109 0.000 1.142 307 I CB 0.793 38.803 38.000 0.018 0.000 1.289 307 I HN 0.400 nan 8.210 nan 0.000 0.453 308 F N 5.356 125.369 119.950 0.106 0.000 2.434 308 F HA 0.379 4.906 4.527 0.000 0.000 0.358 308 F C 0.877 176.699 175.800 0.037 0.000 1.136 308 F CA -0.597 57.471 58.000 0.113 0.000 1.157 308 F CB 0.709 39.775 39.000 0.110 0.000 1.167 308 F HN 0.435 nan 8.300 nan 0.000 0.539 309 A N 4.805 127.726 122.820 0.169 0.000 2.444 309 A HA 0.673 4.993 4.320 0.000 0.000 0.332 309 A C -0.493 177.081 177.584 -0.017 0.000 1.430 309 A CA -0.475 51.598 52.037 0.061 0.000 0.975 309 A CB -0.063 18.946 19.000 0.014 0.000 1.147 309 A HN 0.671 nan 8.150 nan 0.000 0.524 310 V N 0.428 120.333 119.914 -0.013 0.000 3.040 310 V HA 0.888 5.008 4.120 0.000 0.000 0.312 310 V C 0.092 176.187 176.094 0.001 0.000 1.115 310 V CA -0.254 62.004 62.300 -0.071 0.000 0.998 310 V CB 1.316 33.013 31.823 -0.210 0.000 1.042 310 V HN 0.889 nan 8.190 nan 0.000 0.433 311 T N -1.397 113.161 114.554 0.005 0.000 2.828 311 T HA 0.288 4.638 4.350 0.000 0.000 0.290 311 T C 0.967 175.693 174.700 0.043 0.000 1.019 311 T CA 0.622 62.736 62.100 0.023 0.000 1.031 311 T CB 1.161 70.037 68.868 0.013 0.000 1.001 311 T HN 1.067 nan 8.240 nan 0.000 0.531 312 E N 1.492 121.714 120.200 0.036 0.000 2.114 312 E HA -0.330 4.020 4.350 0.000 0.000 0.199 312 E C 1.920 178.541 176.600 0.035 0.000 1.008 312 E CA 1.955 58.376 56.400 0.036 0.000 0.810 312 E CB -0.237 29.479 29.700 0.027 0.000 0.739 312 E HN 0.800 nan 8.360 nan 0.000 0.456 313 N N 0.505 119.224 118.700 0.032 0.000 2.364 313 N HA -0.144 4.596 4.740 0.000 0.000 0.183 313 N C 1.594 177.124 175.510 0.033 0.000 1.022 313 N CA 1.755 54.820 53.050 0.025 0.000 0.883 313 N CB -0.006 38.493 38.487 0.020 0.000 0.965 313 N HN 0.296 nan 8.380 nan 0.000 0.438 314 V N -3.695 116.263 119.914 0.072 0.000 3.253 314 V HA 0.296 4.416 4.120 0.000 0.000 0.320 314 V C 1.780 177.979 176.094 0.175 0.000 1.442 314 V CA -0.403 61.966 62.300 0.115 0.000 1.097 314 V CB -0.075 31.888 31.823 0.233 0.000 1.008 314 V HN -0.088 nan 8.190 nan 0.000 0.463 315 V N 1.679 121.662 119.914 0.116 0.000 2.332 315 V HA -0.214 3.906 4.120 0.000 0.000 0.248 315 V C 2.644 178.782 176.094 0.073 0.000 1.055 315 V CA 2.786 65.156 62.300 0.117 0.000 1.038 315 V CB -0.828 31.041 31.823 0.077 0.000 0.651 315 V HN 0.641 nan 8.190 nan 0.000 0.450 316 N N -0.031 118.675 118.700 0.011 0.000 2.188 316 N HA -0.125 4.615 4.740 0.000 0.000 0.184 316 N C 1.680 177.114 175.510 -0.126 0.000 1.018 316 N CA 1.237 54.263 53.050 -0.041 0.000 0.858 316 N CB -0.541 37.915 38.487 -0.051 0.000 0.989 316 N HN 0.394 nan 8.380 nan 0.000 0.426 317 L N 0.354 121.462 121.223 -0.192 0.000 1.990 317 L HA -0.178 4.162 4.340 0.000 0.000 0.213 317 L C 1.733 178.250 176.870 -0.588 0.000 1.072 317 L CA 1.757 56.324 54.840 -0.455 0.000 0.755 317 L CB -0.948 40.819 42.059 -0.487 0.000 0.889 317 L HN 0.120 nan 8.230 nan 0.000 0.432 318 Y N -1.052 119.109 120.300 -0.232 0.000 2.395 318 Y HA -0.135 4.415 4.550 0.000 0.000 0.293 318 Y C 2.675 178.531 175.900 -0.074 0.000 1.123 318 Y CA 1.206 59.176 58.100 -0.218 0.000 1.227 318 Y CB -0.344 37.973 38.460 -0.237 0.000 1.012 318 Y HN 0.377 nan 8.280 nan 0.000 0.552 319 Q N 0.798 120.652 119.800 0.090 0.000 2.119 319 Q HA -0.150 4.190 4.340 0.000 0.000 0.201 319 Q C 1.441 177.462 176.000 0.035 0.000 0.972 319 Q CA 1.842 57.702 55.803 0.096 0.000 0.847 319 Q CB -0.251 28.525 28.738 0.062 0.000 0.903 319 Q HN 0.279 nan 8.270 nan 0.000 0.433 320 N N -0.997 117.649 118.700 -0.090 0.000 2.216 320 N HA -0.101 4.639 4.740 0.000 0.000 0.183 320 N C 1.153 176.631 175.510 -0.054 0.000 1.017 320 N CA 1.041 54.020 53.050 -0.120 0.000 0.861 320 N CB -0.335 38.015 38.487 -0.228 0.000 0.986 320 N HN 0.308 nan 8.380 nan 0.000 0.428 321 Y N 1.035 121.312 120.300 -0.038 0.000 2.200 321 Y HA -0.041 4.510 4.550 0.000 0.000 0.290 321 Y C 2.741 178.715 175.900 0.124 0.000 1.137 321 Y CA 0.491 58.595 58.100 0.006 0.000 1.163 321 Y CB -0.986 37.437 38.460 -0.061 0.000 0.988 321 Y HN 0.032 nan 8.280 nan 0.000 0.518 322 S N 0.013 115.935 115.700 0.369 0.000 2.383 322 S HA -0.237 4.233 4.470 0.000 0.000 0.229 322 S C 1.817 176.528 174.600 0.185 0.000 1.030 322 S CA 1.690 60.103 58.200 0.355 0.000 1.002 322 S CB -0.264 63.155 63.200 0.365 0.000 0.829 322 S HN 0.582 nan 8.310 nan 0.000 0.467 323 E N 0.050 120.329 120.200 0.132 0.000 2.268 323 E HA 0.003 4.353 4.350 0.000 0.000 0.195 323 E C 1.617 178.260 176.600 0.071 0.000 0.995 323 E CA 0.846 57.293 56.400 0.079 0.000 0.836 323 E CB -0.071 29.659 29.700 0.049 0.000 0.763 323 E HN 0.529 nan 8.360 nan 0.000 0.491 324 L N 0.286 121.569 121.223 0.100 0.000 2.585 324 L HA 0.185 4.525 4.340 0.000 0.000 0.226 324 L C 0.605 177.510 176.870 0.058 0.000 1.113 324 L CA 0.105 54.993 54.840 0.079 0.000 0.876 324 L CB 0.485 42.608 42.059 0.108 0.000 1.072 324 L HN 0.038 nan 8.230 nan 0.000 0.468 325 I N 0.870 121.484 120.570 0.074 0.000 2.697 325 I HA 0.267 4.437 4.170 0.000 0.000 0.279 325 I C -2.366 173.759 176.117 0.012 0.000 1.171 325 I CA -1.797 59.518 61.300 0.024 0.000 1.135 325 I CB 0.874 38.887 38.000 0.021 0.000 1.445 325 I HN -0.215 nan 8.210 nan 0.000 0.541 326 P HA 0.050 nan 4.420 nan 0.000 0.265 326 P C 1.074 178.358 177.300 -0.027 0.000 1.187 326 P CA 0.900 63.996 63.100 -0.007 0.000 0.766 326 P CB 0.673 32.364 31.700 -0.016 0.000 0.820 327 G N 1.049 109.836 108.800 -0.021 0.000 2.195 327 G HA2 -0.216 3.744 3.960 0.000 0.000 0.246 327 G HA3 -0.216 3.744 3.960 0.000 0.000 0.246 327 G C 0.300 175.169 174.900 -0.051 0.000 0.984 327 G CA 0.305 45.383 45.100 -0.036 0.000 0.633 327 G HN 0.835 nan 8.290 nan 0.000 0.525 328 T N -0.418 114.108 114.554 -0.046 0.000 2.909 328 T HA 0.633 4.983 4.350 0.000 0.000 0.289 328 T C 0.086 174.781 174.700 -0.008 0.000 1.005 328 T CA 0.509 62.556 62.100 -0.089 0.000 1.084 328 T CB 2.130 70.918 68.868 -0.134 0.000 0.975 328 T HN 0.378 nan 8.240 nan 0.000 0.509 329 T N 1.872 116.410 114.554 -0.028 0.000 2.885 329 T HA 0.619 4.969 4.350 0.000 0.000 0.285 329 T C -0.516 174.257 174.700 0.122 0.000 1.019 329 T CA -0.705 61.423 62.100 0.047 0.000 1.010 329 T CB 1.573 70.458 68.868 0.028 0.000 1.022 329 T HN 0.642 nan 8.240 nan 0.000 0.466 330 V N 1.368 121.381 119.914 0.164 0.000 2.604 330 V HA 0.879 4.999 4.120 0.000 0.000 0.305 330 V C 0.353 176.534 176.094 0.145 0.000 1.043 330 V CA -0.640 61.792 62.300 0.220 0.000 0.888 330 V CB 1.935 33.909 31.823 0.252 0.000 0.995 330 V HN 1.110 nan 8.190 nan 0.000 0.429 331 G N 2.060 110.942 108.800 0.137 0.000 2.620 331 G HA2 0.589 4.549 3.960 0.000 0.000 0.301 331 G HA3 0.589 4.549 3.960 0.000 0.000 0.301 331 G C -1.287 173.665 174.900 0.086 0.000 1.347 331 G CA -0.621 44.538 45.100 0.098 0.000 0.971 331 G HN 0.523 nan 8.290 nan 0.000 0.488 332 V N 2.296 122.252 119.914 0.070 0.000 2.387 332 V HA 0.207 4.327 4.120 0.000 0.000 0.260 332 V C 0.301 176.424 176.094 0.049 0.000 1.054 332 V CA -0.447 61.888 62.300 0.057 0.000 0.967 332 V CB 0.601 32.455 31.823 0.050 0.000 1.036 332 V HN 0.610 nan 8.190 nan 0.000 0.481 333 L N 5.589 126.835 121.223 0.039 0.000 2.349 333 L HA 0.416 4.756 4.340 0.000 0.000 0.275 333 L C 0.769 177.656 176.870 0.027 0.000 1.115 333 L CA 0.898 55.758 54.840 0.033 0.000 0.820 333 L CB 1.395 43.462 42.059 0.013 0.000 1.135 333 L HN 0.648 nan 8.230 nan 0.000 0.445 334 S N 4.990 120.709 115.700 0.032 0.000 2.576 334 S HA 0.100 4.570 4.470 0.000 0.000 0.272 334 S C 1.345 175.954 174.600 0.015 0.000 1.352 334 S CA -0.520 57.696 58.200 0.027 0.000 1.021 334 S CB 0.646 63.866 63.200 0.033 0.000 0.887 334 S HN 0.676 nan 8.310 nan 0.000 0.542 335 M N 1.943 121.549 119.600 0.010 0.000 2.629 335 M HA -0.069 4.411 4.480 0.000 0.000 0.257 335 M C 0.679 176.969 176.300 -0.017 0.000 1.071 335 M CA 1.036 56.334 55.300 -0.004 0.000 1.077 335 M CB -1.402 31.198 32.600 0.000 0.000 1.423 335 M HN 0.677 nan 8.290 nan 0.000 0.508 336 D N -2.903 117.497 120.400 0.000 0.000 2.540 336 D HA 0.145 4.785 4.640 0.000 0.000 0.229 336 D C 0.347 176.657 176.300 0.017 0.000 1.250 336 D CA 0.056 54.054 54.000 -0.004 0.000 0.817 336 D CB -0.118 40.700 40.800 0.029 0.000 1.060 336 D HN 0.031 nan 8.370 nan 0.000 0.508 337 S N -0.708 115.009 115.700 0.029 0.000 3.358 337 S HA -0.283 4.187 4.470 0.000 0.000 0.309 337 S C 1.460 176.105 174.600 0.075 0.000 1.247 337 S CA 1.050 59.289 58.200 0.065 0.000 0.961 337 S CB -2.108 61.150 63.200 0.097 0.000 1.074 337 S HN 0.665 nan 8.310 nan 0.000 0.625 338 S N 1.745 117.481 115.700 0.060 0.000 2.474 338 S HA -0.118 4.352 4.470 0.000 0.000 0.235 338 S C 1.237 175.871 174.600 0.056 0.000 0.997 338 S CA 0.948 59.183 58.200 0.059 0.000 0.949 338 S CB -0.331 62.902 63.200 0.055 0.000 0.766 338 S HN 0.835 nan 8.310 nan 0.000 0.517 339 N N 0.898 119.633 118.700 0.058 0.000 2.214 339 N HA 0.116 4.856 4.740 0.000 0.000 0.214 339 N C 1.046 176.599 175.510 0.072 0.000 1.132 339 N CA 0.097 53.181 53.050 0.057 0.000 0.856 339 N CB 0.024 38.541 38.487 0.050 0.000 1.020 339 N HN 0.293 nan 8.380 nan 0.000 0.509 340 V N 0.525 120.496 119.914 0.094 0.000 2.626 340 V HA -0.021 4.099 4.120 0.000 0.000 0.252 340 V C 2.070 178.239 176.094 0.124 0.000 1.067 340 V CA 0.820 63.200 62.300 0.132 0.000 1.081 340 V CB -0.434 31.524 31.823 0.225 0.000 0.686 340 V HN 0.384 nan 8.190 nan 0.000 0.468 341 L N -0.207 121.068 121.223 0.087 0.000 1.970 341 L HA -0.241 4.099 4.340 0.000 0.000 0.212 341 L C 2.618 179.523 176.870 0.058 0.000 1.071 341 L CA 2.490 57.364 54.840 0.058 0.000 0.751 341 L CB -0.310 41.766 42.059 0.028 0.000 0.889 341 L HN 0.410 nan 8.230 nan 0.000 0.432 342 Q N -0.151 119.682 119.800 0.055 0.000 2.224 342 Q HA -0.226 4.114 4.340 0.000 0.000 0.203 342 Q C 2.041 178.082 176.000 0.068 0.000 0.970 342 Q CA 1.540 57.376 55.803 0.055 0.000 0.865 342 Q CB -0.364 28.402 28.738 0.048 0.000 0.922 342 Q HN 0.614 nan 8.270 nan 0.000 0.445 343 L N -0.674 120.594 121.223 0.076 0.000 2.046 343 L HA -0.137 4.203 4.340 0.000 0.000 0.208 343 L C 1.975 178.902 176.870 0.094 0.000 1.077 343 L CA 1.195 56.084 54.840 0.082 0.000 0.747 343 L CB -0.148 41.961 42.059 0.083 0.000 0.896 343 L HN 0.321 nan 8.230 nan 0.000 0.432 344 I N -1.316 119.316 120.570 0.103 0.000 2.202 344 I HA -0.261 3.909 4.170 0.000 0.000 0.242 344 I C 2.396 178.586 176.117 0.122 0.000 1.091 344 I CA 1.017 62.385 61.300 0.113 0.000 1.368 344 I CB -0.236 37.832 38.000 0.114 0.000 1.058 344 I HN 0.065 nan 8.210 nan 0.000 0.410 345 V N 0.926 120.900 119.914 0.099 0.000 2.332 345 V HA -0.304 3.816 4.120 0.000 0.000 0.248 345 V C 2.009 178.197 176.094 0.157 0.000 1.055 345 V CA 2.019 64.390 62.300 0.119 0.000 1.038 345 V CB -0.673 31.197 31.823 0.078 0.000 0.651 345 V HN 0.404 nan 8.190 nan 0.000 0.450 346 D N 0.255 120.723 120.400 0.114 0.000 2.117 346 D HA -0.071 4.569 4.640 0.000 0.000 0.198 346 D C 2.234 178.593 176.300 0.098 0.000 0.982 346 D CA 1.524 55.581 54.000 0.095 0.000 0.828 346 D CB -0.384 40.460 40.800 0.072 0.000 0.967 346 D HN 0.427 nan 8.370 nan 0.000 0.464 347 A N 0.253 123.142 122.820 0.114 0.000 1.877 347 A HA -0.237 4.083 4.320 0.000 0.000 0.216 347 A C 2.198 179.855 177.584 0.122 0.000 1.186 347 A CA 1.333 53.433 52.037 0.104 0.000 0.620 347 A CB -1.134 17.931 19.000 0.108 0.000 0.822 347 A HN 0.309 nan 8.150 nan 0.000 0.443 348 Y N 0.928 121.248 120.300 0.035 0.000 2.114 348 Y HA -0.166 4.384 4.550 0.000 0.000 0.282 348 Y C 2.499 178.412 175.900 0.020 0.000 1.165 348 Y CA 1.642 59.760 58.100 0.029 0.000 1.148 348 Y CB -0.912 37.570 38.460 0.036 0.000 0.972 348 Y HN 0.223 nan 8.280 nan 0.000 0.504 349 G N -0.310 108.489 108.800 -0.003 0.000 2.440 349 G HA2 -0.333 3.627 3.960 0.000 0.000 0.218 349 G HA3 -0.333 3.627 3.960 0.000 0.000 0.218 349 G C 1.759 176.601 174.900 -0.097 0.000 1.154 349 G CA 1.052 46.099 45.100 -0.089 0.000 0.767 349 G HN 0.424 nan 8.290 nan 0.000 0.552 350 K N -0.191 120.185 120.400 -0.039 0.000 2.155 350 K HA 0.134 4.454 4.320 0.000 0.000 0.203 350 K C 2.423 178.992 176.600 -0.052 0.000 1.052 350 K CA 0.470 56.741 56.287 -0.027 0.000 0.948 350 K CB -0.176 32.329 32.500 0.008 0.000 0.728 350 K HN 0.354 nan 8.250 nan 0.000 0.448 351 I N 0.730 121.252 120.570 -0.079 0.000 2.315 351 I HA -0.215 3.955 4.170 0.000 0.000 0.248 351 I C 1.635 177.670 176.117 -0.138 0.000 1.117 351 I CA 1.134 62.380 61.300 -0.090 0.000 1.404 351 I CB 0.043 38.001 38.000 -0.070 0.000 1.071 351 I HN 0.058 nan 8.210 nan 0.000 0.419 352 R N 0.063 120.422 120.500 -0.235 0.000 2.426 352 R HA 0.095 4.435 4.340 0.000 0.000 0.263 352 R C 1.556 177.787 176.300 -0.116 0.000 0.961 352 R CA 0.453 56.418 56.100 -0.225 0.000 1.086 352 R CB 0.054 30.109 30.300 -0.409 0.000 1.186 352 R HN 0.322 nan 8.270 nan 0.000 0.537 353 S N -0.263 115.391 115.700 -0.076 0.000 2.556 353 S HA 0.158 4.628 4.470 0.000 0.000 0.216 353 S C 0.294 174.891 174.600 -0.005 0.000 0.970 353 S CA -0.260 57.919 58.200 -0.035 0.000 0.912 353 S CB 0.252 63.434 63.200 -0.029 0.000 0.790 353 S HN 0.058 nan 8.310 nan 0.000 0.504 354 K N 0.625 121.030 120.400 0.009 0.000 2.422 354 K HA 0.690 5.010 4.320 0.000 0.000 0.251 354 K C -1.738 174.900 176.600 0.064 0.000 0.933 354 K CA -0.747 55.557 56.287 0.029 0.000 0.798 354 K CB 2.668 35.177 32.500 0.015 0.000 1.238 354 K HN -0.002 nan 8.250 nan 0.000 0.428 355 V N 1.950 121.900 119.914 0.060 0.000 2.483 355 V HA 0.314 4.434 4.120 0.000 0.000 0.297 355 V C -0.861 175.228 176.094 -0.008 0.000 1.027 355 V CA -0.621 61.694 62.300 0.025 0.000 0.855 355 V CB 1.501 33.353 31.823 0.049 0.000 0.995 355 V HN 0.788 nan 8.190 nan 0.000 0.424 356 E N 5.072 125.208 120.200 -0.106 0.000 2.216 356 E HA 0.500 4.850 4.350 0.000 0.000 0.260 356 E C -1.255 175.177 176.600 -0.279 0.000 0.880 356 E CA -0.627 55.673 56.400 -0.167 0.000 0.765 356 E CB 1.448 31.086 29.700 -0.104 0.000 1.174 356 E HN 0.621 nan 8.360 nan 0.000 0.417 357 L N 4.351 125.304 121.223 -0.450 0.000 2.397 357 L HA 0.285 4.625 4.340 0.000 0.000 0.271 357 L C 0.420 177.091 176.870 -0.331 0.000 1.148 357 L CA 0.100 54.667 54.840 -0.455 0.000 0.825 357 L CB 0.643 42.303 42.059 -0.665 0.000 1.117 357 L HN 0.634 nan 8.230 nan 0.000 0.456 358 E N 1.978 122.055 120.200 -0.204 0.000 2.312 358 E HA 0.666 5.016 4.350 0.000 0.000 0.267 358 E C -1.622 174.956 176.600 -0.038 0.000 0.894 358 E CA -0.945 55.379 56.400 -0.126 0.000 0.773 358 E CB 2.505 32.154 29.700 -0.085 0.000 1.241 358 E HN 0.207 nan 8.360 nan 0.000 0.432 359 V N 1.973 121.892 119.914 0.007 0.000 2.444 359 V HA 0.449 4.569 4.120 0.000 0.000 0.294 359 V C -0.379 175.763 176.094 0.080 0.000 1.022 359 V CA -0.735 61.625 62.300 0.100 0.000 0.850 359 V CB 1.310 33.210 31.823 0.127 0.000 0.992 359 V HN 0.612 nan 8.190 nan 0.000 0.426 360 R N 3.092 123.665 120.500 0.121 0.000 2.514 360 R HA 0.525 4.865 4.340 0.000 0.000 0.301 360 R C -0.533 175.847 176.300 0.134 0.000 0.962 360 R CA -0.652 55.503 56.100 0.092 0.000 0.882 360 R CB 1.162 31.503 30.300 0.068 0.000 1.143 360 R HN 0.796 nan 8.270 nan 0.000 0.452 361 D N 1.033 121.484 120.400 0.084 0.000 2.907 361 D HA -0.180 4.460 4.640 0.000 0.000 0.226 361 D C -0.466 175.884 176.300 0.084 0.000 1.141 361 D CA 0.592 54.646 54.000 0.090 0.000 0.779 361 D CB -1.010 39.863 40.800 0.121 0.000 1.095 361 D HN 0.215 nan 8.370 nan 0.000 0.430 362 L N 1.082 122.295 121.223 -0.016 0.000 2.462 362 L HA 0.258 4.598 4.340 0.000 0.000 0.272 362 L C -1.741 175.067 176.870 -0.103 0.000 1.166 362 L CA -0.583 54.136 54.840 -0.202 0.000 0.880 362 L CB 0.204 42.107 42.059 -0.261 0.000 1.142 362 L HN -0.226 nan 8.230 nan 0.000 0.473 363 P HA 0.019 nan 4.420 nan 0.000 0.267 363 P C 0.256 177.530 177.300 -0.044 0.000 1.200 363 P CA -0.053 63.043 63.100 -0.006 0.000 0.772 363 P CB 0.611 32.366 31.700 0.091 0.000 0.855 364 E N 1.791 121.967 120.200 -0.039 0.000 2.160 364 E HA -0.229 4.121 4.350 0.000 0.000 0.195 364 E C 1.331 177.900 176.600 -0.053 0.000 0.991 364 E CA 1.363 57.735 56.400 -0.046 0.000 0.810 364 E CB -0.015 29.658 29.700 -0.045 0.000 0.742 364 E HN 0.488 nan 8.360 nan 0.000 0.466 365 E N -0.292 119.869 120.200 -0.064 0.000 2.479 365 E HA 0.012 4.362 4.350 0.000 0.000 0.193 365 E C 0.182 176.769 176.600 -0.022 0.000 1.049 365 E CA 0.027 56.386 56.400 -0.068 0.000 0.870 365 E CB 0.132 29.747 29.700 -0.142 0.000 0.944 365 E HN 0.271 nan 8.360 nan 0.000 0.492 366 L N 2.179 123.395 121.223 -0.012 0.000 2.307 366 L HA 0.292 4.632 4.340 0.000 0.000 0.282 366 L C 0.027 176.861 176.870 -0.059 0.000 1.051 366 L CA -0.640 54.193 54.840 -0.012 0.000 0.804 366 L CB 1.583 43.609 42.059 -0.055 0.000 1.197 366 L HN 0.031 nan 8.230 nan 0.000 0.431 367 S N 3.535 119.209 115.700 -0.043 0.000 2.542 367 S HA 0.790 5.260 4.470 0.000 0.000 0.293 367 S C -0.856 173.707 174.600 -0.062 0.000 1.089 367 S CA -0.917 57.256 58.200 -0.046 0.000 0.961 367 S CB 2.019 65.204 63.200 -0.023 0.000 1.062 367 S HN 0.427 nan 8.310 nan 0.000 0.483 368 L N 2.151 123.336 121.223 -0.063 0.000 2.342 368 L HA 0.794 5.134 4.340 0.000 0.000 0.271 368 L C -0.057 176.732 176.870 -0.134 0.000 1.008 368 L CA -0.695 54.046 54.840 -0.165 0.000 0.818 368 L CB 2.334 44.260 42.059 -0.222 0.000 1.296 368 L HN 0.978 nan 8.230 nan 0.000 0.427 369 S N 0.364 115.886 115.700 -0.296 0.000 2.568 369 S HA 0.823 5.293 4.470 0.000 0.000 0.293 369 S C -1.092 173.308 174.600 -0.332 0.000 1.089 369 S CA -0.696 57.428 58.200 -0.127 0.000 0.945 369 S CB 1.809 64.972 63.200 -0.060 0.000 1.077 369 S HN 0.287 nan 8.310 nan 0.000 0.485 370 F N 0.811 120.746 119.950 -0.025 0.000 2.565 370 F HA 0.590 5.117 4.527 0.000 0.000 0.313 370 F C -0.215 175.607 175.800 0.037 0.000 1.091 370 F CA -0.774 57.230 58.000 0.006 0.000 0.915 370 F CB 2.172 41.190 39.000 0.030 0.000 1.208 370 F HN 0.501 nan 8.300 nan 0.000 0.453 371 N N 1.540 120.371 118.700 0.219 0.000 2.399 371 N HA 0.662 5.402 4.740 0.000 0.000 0.284 371 N C -1.126 174.451 175.510 0.111 0.000 1.025 371 N CA -0.614 52.511 53.050 0.126 0.000 0.885 371 N CB 2.099 40.605 38.487 0.032 0.000 1.339 371 N HN 0.709 nan 8.380 nan 0.000 0.487 372 A N 1.148 123.986 122.820 0.030 0.000 2.312 372 A HA 0.712 5.032 4.320 0.000 0.000 0.326 372 A C -0.299 177.121 177.584 -0.273 0.000 1.172 372 A CA -0.364 51.517 52.037 -0.260 0.000 0.821 372 A CB 0.478 19.375 19.000 -0.172 0.000 1.166 372 A HN 0.464 nan 8.150 nan 0.000 0.493 373 T N 2.334 116.642 114.554 -0.408 0.000 2.977 373 T HA 0.357 4.707 4.350 0.000 0.000 0.346 373 T C 0.285 174.822 174.700 -0.271 0.000 1.140 373 T CA -0.463 61.484 62.100 -0.254 0.000 1.040 373 T CB 0.227 68.982 68.868 -0.188 0.000 1.046 373 T HN 0.696 nan 8.240 nan 0.000 0.494 374 c N 2.232 120.715 118.600 -0.195 0.000 4.154 374 c HA 0.432 5.002 4.570 0.000 0.000 0.218 374 c C 0.990 175.025 174.090 -0.092 0.000 2.068 374 c CA -0.543 55.695 56.329 -0.151 0.000 1.321 374 c CB -0.751 41.691 42.510 -0.113 0.000 1.644 374 c HN 0.651 nan 8.230 nan 0.000 0.686 375 L N 3.046 124.229 121.223 -0.066 0.000 2.455 375 L HA 0.203 4.543 4.340 0.000 0.000 0.272 375 L C 0.048 176.890 176.870 -0.047 0.000 1.174 375 L CA 0.492 55.304 54.840 -0.046 0.000 0.869 375 L CB -0.266 41.773 42.059 -0.033 0.000 1.130 375 L HN 0.608 nan 8.230 nan 0.000 0.474 376 N N 1.834 120.511 118.700 -0.038 0.000 2.247 376 N HA -0.285 4.455 4.740 0.000 0.000 0.143 376 N C 0.091 175.574 175.510 -0.045 0.000 0.842 376 N CA 1.235 54.264 53.050 -0.035 0.000 0.870 376 N CB -0.547 37.922 38.487 -0.029 0.000 0.818 376 N HN 0.638 nan 8.380 nan 0.000 0.695 377 N N 1.254 119.930 118.700 -0.040 0.000 2.362 377 N HA 0.039 4.779 4.740 0.000 0.000 0.211 377 N C -0.574 174.907 175.510 -0.048 0.000 1.170 377 N CA 0.221 53.244 53.050 -0.045 0.000 0.828 377 N CB -0.223 38.244 38.487 -0.034 0.000 1.034 377 N HN 0.382 nan 8.380 nan 0.000 0.475 378 E N 0.777 120.948 120.200 -0.049 0.000 2.383 378 E HA 0.025 4.375 4.350 0.000 0.000 0.257 378 E C -0.416 176.149 176.600 -0.059 0.000 1.079 378 E CA 0.119 56.492 56.400 -0.046 0.000 0.934 378 E CB 0.654 30.329 29.700 -0.041 0.000 0.978 378 E HN -0.061 nan 8.360 nan 0.000 0.462 379 V N 6.128 126.013 119.914 -0.048 0.000 2.546 379 V HA 0.242 4.362 4.120 0.000 0.000 0.284 379 V C 0.383 176.455 176.094 -0.036 0.000 1.050 379 V CA -0.256 62.014 62.300 -0.051 0.000 0.981 379 V CB 1.190 32.990 31.823 -0.039 0.000 0.990 379 V HN 0.527 nan 8.190 nan 0.000 0.474 380 I N 6.185 126.735 120.570 -0.033 0.000 2.495 380 I HA 0.331 4.501 4.170 0.000 0.000 0.277 380 I C -2.529 173.596 176.117 0.013 0.000 1.045 380 I CA -1.872 59.421 61.300 -0.012 0.000 1.135 380 I CB 1.885 39.876 38.000 -0.014 0.000 1.241 380 I HN 0.425 nan 8.210 nan 0.000 0.469 381 P HA 0.093 nan 4.420 nan 0.000 0.266 381 P C 0.937 178.265 177.300 0.048 0.000 1.195 381 P CA 0.655 63.773 63.100 0.030 0.000 0.768 381 P CB 0.693 32.403 31.700 0.017 0.000 0.838 382 G N 0.922 109.768 108.800 0.077 0.000 2.143 382 G HA2 -0.226 3.734 3.960 0.000 0.000 0.249 382 G HA3 -0.226 3.734 3.960 0.000 0.000 0.249 382 G C -0.406 174.551 174.900 0.094 0.000 0.981 382 G CA -0.254 44.899 45.100 0.087 0.000 0.665 382 G HN 0.539 nan 8.290 nan 0.000 0.528 383 L N 0.385 121.679 121.223 0.117 0.000 2.341 383 L HA 0.736 5.076 4.340 0.000 0.000 0.278 383 L C 0.771 177.745 176.870 0.173 0.000 1.005 383 L CA -0.568 54.330 54.840 0.097 0.000 0.818 383 L CB 1.443 43.550 42.059 0.079 0.000 1.259 383 L HN 0.228 nan 8.230 nan 0.000 0.418 384 K N 1.773 122.165 120.400 -0.014 0.000 2.618 384 K HA 0.434 4.754 4.320 0.000 0.000 0.207 384 K C -0.617 175.867 176.600 -0.194 0.000 1.058 384 K CA -0.231 55.912 56.287 -0.241 0.000 1.086 384 K CB 0.366 32.249 32.500 -1.028 0.000 0.827 384 K HN 0.489 nan 8.250 nan 0.000 0.481 385 S N -0.536 115.264 115.700 0.166 0.000 2.579 385 S HA 0.660 5.131 4.470 0.000 0.000 0.272 385 S C -0.814 173.919 174.600 0.222 0.000 1.141 385 S CA -0.785 57.507 58.200 0.153 0.000 0.843 385 S CB 1.596 64.794 63.200 -0.004 0.000 1.122 385 S HN 0.248 nan 8.310 nan 0.000 0.468 386 c N 1.917 120.620 118.600 0.172 0.000 2.712 386 c HA 0.788 5.358 4.570 0.000 0.000 0.308 386 c C -0.200 173.914 174.090 0.040 0.000 1.201 386 c CA -0.652 55.719 56.329 0.071 0.000 1.554 386 c CB 1.142 43.670 42.510 0.030 0.000 2.117 386 c HN 0.951 nan 8.230 nan 0.000 0.480 387 M N 0.962 120.571 119.600 0.015 0.000 2.755 387 M HA 0.581 5.061 4.480 0.000 0.000 0.298 387 M C 0.903 177.203 176.300 0.000 0.000 1.251 387 M CA 0.014 55.319 55.300 0.009 0.000 0.817 387 M CB 1.659 34.263 32.600 0.006 0.000 1.760 387 M HN 1.010 nan 8.290 nan 0.000 0.473 388 G N 1.310 110.110 108.800 -0.001 0.000 2.221 388 G HA2 -0.195 3.765 3.960 0.000 0.000 0.265 388 G HA3 -0.195 3.765 3.960 0.000 0.000 0.265 388 G C -0.468 174.428 174.900 -0.006 0.000 1.041 388 G CA -0.061 45.037 45.100 -0.003 0.000 0.807 388 G HN 0.513 nan 8.290 nan 0.000 0.502 389 L N -0.403 120.816 121.223 -0.006 0.000 2.399 389 L HA 0.541 4.881 4.340 0.000 0.000 0.266 389 L C 0.620 177.483 176.870 -0.012 0.000 1.114 389 L CA -0.741 54.096 54.840 -0.006 0.000 0.804 389 L CB 0.843 42.903 42.059 0.002 0.000 1.146 389 L HN -0.048 nan 8.230 nan 0.000 0.451 390 K N 2.183 122.578 120.400 -0.009 0.000 2.156 390 K HA 0.493 4.813 4.320 0.000 0.000 0.254 390 K C -0.390 176.203 176.600 -0.011 0.000 0.950 390 K CA -0.887 55.394 56.287 -0.010 0.000 0.849 390 K CB 2.148 34.648 32.500 0.000 0.000 1.100 390 K HN 0.442 nan 8.250 nan 0.000 0.434 391 I N 1.351 121.908 120.570 -0.021 0.000 2.906 391 I HA -0.204 3.966 4.170 0.000 0.000 0.302 391 I C 1.375 177.498 176.117 0.010 0.000 1.220 391 I CA 1.574 62.866 61.300 -0.014 0.000 1.441 391 I CB -0.240 37.759 38.000 -0.002 0.000 1.336 391 I HN 1.047 nan 8.210 nan 0.000 0.565 392 G N 3.936 112.746 108.800 0.016 0.000 2.218 392 G HA2 -0.190 3.770 3.960 0.000 0.000 0.216 392 G HA3 -0.190 3.770 3.960 0.000 0.000 0.216 392 G C -0.062 174.852 174.900 0.022 0.000 0.994 392 G CA -0.458 44.657 45.100 0.024 0.000 0.637 392 G HN 0.575 nan 8.290 nan 0.000 0.505 393 D N 1.215 121.626 120.400 0.018 0.000 2.339 393 D HA 0.593 5.233 4.640 0.000 0.000 0.245 393 D C 0.304 176.616 176.300 0.021 0.000 1.115 393 D CA 0.713 54.721 54.000 0.013 0.000 0.917 393 D CB 1.196 41.999 40.800 0.005 0.000 1.192 393 D HN 0.105 nan 8.370 nan 0.000 0.428 394 T N 0.378 114.938 114.554 0.009 0.000 2.848 394 T HA 0.555 4.905 4.350 0.000 0.000 0.285 394 T C -0.106 174.581 174.700 -0.022 0.000 0.995 394 T CA -0.776 61.330 62.100 0.009 0.000 0.970 394 T CB 1.307 70.182 68.868 0.012 0.000 0.976 394 T HN 0.227 nan 8.240 nan 0.000 0.441 395 V N 0.181 120.077 119.914 -0.031 0.000 3.113 395 V HA 1.043 5.163 4.120 0.000 0.000 0.316 395 V C -0.388 175.630 176.094 -0.127 0.000 1.125 395 V CA -1.044 61.184 62.300 -0.121 0.000 1.026 395 V CB 1.897 33.616 31.823 -0.174 0.000 1.080 395 V HN 1.040 nan 8.190 nan 0.000 0.444 396 S N 0.255 115.779 115.700 -0.292 0.000 2.579 396 S HA 0.862 5.332 4.470 0.000 0.000 0.272 396 S C -1.370 172.967 174.600 -0.438 0.000 1.141 396 S CA -0.621 57.476 58.200 -0.172 0.000 0.843 396 S CB 1.700 64.859 63.200 -0.068 0.000 1.122 396 S HN 0.771 nan 8.310 nan 0.000 0.468 397 F N 0.863 120.819 119.950 0.009 0.000 2.540 397 F HA 0.666 5.193 4.527 0.000 0.000 0.317 397 F C 0.565 176.352 175.800 -0.021 0.000 1.104 397 F CA -0.666 57.350 58.000 0.027 0.000 0.913 397 F CB 2.407 41.469 39.000 0.103 0.000 1.170 397 F HN 0.675 nan 8.300 nan 0.000 0.450 398 S N 3.877 119.629 115.700 0.086 0.000 2.499 398 S HA 0.751 5.221 4.470 0.000 0.000 0.279 398 S C -0.721 173.778 174.600 -0.168 0.000 1.219 398 S CA -0.353 57.817 58.200 -0.051 0.000 1.062 398 S CB 0.122 63.286 63.200 -0.060 0.000 0.978 398 S HN 0.491 nan 8.310 nan 0.000 0.489 399 I N 3.597 123.901 120.570 -0.443 0.000 2.545 399 I HA 0.462 4.632 4.170 0.000 0.000 0.292 399 I C -0.314 175.316 176.117 -0.813 0.000 1.040 399 I CA -0.578 60.246 61.300 -0.794 0.000 1.068 399 I CB 2.138 39.450 38.000 -1.147 0.000 1.251 399 I HN 0.621 nan 8.210 nan 0.000 0.424 400 E N 5.028 124.877 120.200 -0.585 0.000 2.216 400 E HA 0.678 5.028 4.350 0.000 0.000 0.260 400 E C -1.362 175.113 176.600 -0.207 0.000 0.880 400 E CA -0.714 55.489 56.400 -0.329 0.000 0.765 400 E CB 1.825 31.408 29.700 -0.194 0.000 1.174 400 E HN 0.740 nan 8.360 nan 0.000 0.417 401 A N 5.009 127.813 122.820 -0.027 0.000 2.290 401 A HA 0.431 4.751 4.320 0.000 0.000 0.310 401 A C -0.581 177.031 177.584 0.047 0.000 1.202 401 A CA -0.554 51.524 52.037 0.068 0.000 0.837 401 A CB 0.742 19.899 19.000 0.263 0.000 1.139 401 A HN 0.569 nan 8.150 nan 0.000 0.509 402 K N 2.871 123.287 120.400 0.026 0.000 2.463 402 K HA 0.549 4.869 4.320 0.000 0.000 0.255 402 K C -1.649 174.984 176.600 0.054 0.000 0.942 402 K CA -0.442 55.864 56.287 0.032 0.000 0.814 402 K CB 1.855 34.358 32.500 0.005 0.000 1.122 402 K HN 0.534 nan 8.250 nan 0.000 0.425 403 V N 4.811 124.779 119.914 0.089 0.000 2.532 403 V HA 0.485 4.605 4.120 0.000 0.000 0.295 403 V C -0.748 175.373 176.094 0.044 0.000 1.041 403 V CA -0.694 61.671 62.300 0.109 0.000 0.926 403 V CB 1.322 33.297 31.823 0.253 0.000 0.992 403 V HN 0.801 nan 8.190 nan 0.000 0.457 404 R N 4.932 125.434 120.500 0.003 0.000 2.215 404 R HA 0.600 4.940 4.340 0.000 0.000 0.336 404 R C 0.611 176.884 176.300 -0.045 0.000 0.996 404 R CA 0.451 56.541 56.100 -0.018 0.000 0.847 404 R CB 1.098 31.384 30.300 -0.024 0.000 1.127 404 R HN 1.269 nan 8.270 nan 0.000 0.465 405 G N 1.789 110.570 108.800 -0.031 0.000 2.539 405 G HA2 -0.314 3.646 3.960 0.000 0.000 0.256 405 G HA3 -0.314 3.646 3.960 0.000 0.000 0.256 405 G C -0.898 173.959 174.900 -0.070 0.000 1.233 405 G CA -0.070 45.003 45.100 -0.046 0.000 0.936 405 G HN 0.698 nan 8.290 nan 0.000 0.571 406 c N 2.761 121.297 118.600 -0.106 0.000 2.407 406 c HA 0.721 5.291 4.570 0.000 0.000 0.328 406 c C -1.911 172.047 174.090 -0.221 0.000 1.137 406 c CA -1.048 55.195 56.329 -0.143 0.000 1.390 406 c CB 0.087 42.555 42.510 -0.070 0.000 1.989 406 c HN 0.781 nan 8.230 nan 0.000 0.432 407 P HA 0.097 nan 4.420 nan 0.000 0.269 407 P C 0.668 177.837 177.300 -0.219 0.000 1.217 407 P CA 0.133 62.999 63.100 -0.390 0.000 0.783 407 P CB 0.526 31.782 31.700 -0.739 0.000 0.898 408 Q N 0.684 120.396 119.800 -0.145 0.000 2.050 408 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 408 Q C -0.163 175.807 176.000 -0.050 0.000 0.980 408 Q CA 1.309 57.064 55.803 -0.080 0.000 0.840 408 Q CB 0.106 28.809 28.738 -0.058 0.000 0.898 408 Q HN 0.554 nan 8.270 nan 0.000 0.424 409 E N 0.970 121.143 120.200 -0.044 0.000 2.194 409 E HA 0.056 4.406 4.350 0.000 0.000 0.284 409 E C 0.294 176.957 176.600 0.105 0.000 1.035 409 E CA -0.423 55.991 56.400 0.024 0.000 0.836 409 E CB 1.099 30.823 29.700 0.040 0.000 1.070 409 E HN 0.063 nan 8.360 nan 0.000 0.401 410 K N 1.841 122.320 120.400 0.131 0.000 2.296 410 K HA 0.049 4.369 4.320 0.000 0.000 0.200 410 K C 0.006 176.766 176.600 0.267 0.000 1.048 410 K CA 0.857 57.278 56.287 0.224 0.000 0.966 410 K CB 0.237 32.806 32.500 0.115 0.000 0.754 410 K HN 0.533 nan 8.250 nan 0.000 0.466 411 E N 0.625 120.928 120.200 0.171 0.000 2.224 411 E HA 0.349 4.699 4.350 0.000 0.000 0.265 411 E C -0.894 175.779 176.600 0.122 0.000 0.878 411 E CA -0.445 56.014 56.400 0.098 0.000 0.759 411 E CB 2.009 31.728 29.700 0.030 0.000 1.164 411 E HN -0.125 nan 8.360 nan 0.000 0.414 412 K N 0.885 121.353 120.400 0.113 0.000 2.532 412 K HA 0.528 4.848 4.320 0.000 0.000 0.265 412 K C -1.259 175.393 176.600 0.085 0.000 0.948 412 K CA -0.852 55.518 56.287 0.138 0.000 0.842 412 K CB 2.260 34.915 32.500 0.258 0.000 1.392 412 K HN 0.561 nan 8.250 nan 0.000 0.436 413 S N 0.797 116.550 115.700 0.088 0.000 2.549 413 S HA 0.793 5.263 4.470 0.000 0.000 0.280 413 S C -0.777 173.900 174.600 0.129 0.000 1.109 413 S CA -0.933 57.281 58.200 0.023 0.000 0.905 413 S CB 0.738 63.893 63.200 -0.075 0.000 1.081 413 S HN 0.568 nan 8.310 nan 0.000 0.477 414 F N -0.998 118.940 119.950 -0.018 0.000 2.691 414 F HA 0.932 5.459 4.527 0.000 0.000 0.334 414 F C -0.642 175.155 175.800 -0.006 0.000 1.107 414 F CA -0.952 57.048 58.000 0.001 0.000 0.991 414 F CB 1.173 40.187 39.000 0.024 0.000 1.400 414 F HN 0.496 nan 8.300 nan 0.000 0.503 415 T N 1.884 116.545 114.554 0.179 0.000 2.861 415 T HA 0.607 4.957 4.350 0.000 0.000 0.287 415 T C -0.832 173.966 174.700 0.164 0.000 1.003 415 T CA -0.432 61.698 62.100 0.051 0.000 0.977 415 T CB 1.460 70.353 68.868 0.043 0.000 0.996 415 T HN 0.518 nan 8.240 nan 0.000 0.448 416 I N 3.074 123.699 120.570 0.091 0.000 2.382 416 I HA 0.481 4.651 4.170 0.000 0.000 0.286 416 I C -0.073 176.053 176.117 0.016 0.000 1.002 416 I CA -0.656 60.714 61.300 0.116 0.000 1.135 416 I CB 1.414 39.528 38.000 0.191 0.000 1.288 416 I HN 0.256 nan 8.210 nan 0.000 0.448 417 K N 8.031 128.418 120.400 -0.022 0.000 2.427 417 K HA 0.549 4.869 4.320 0.000 0.000 0.252 417 K C -2.769 173.747 176.600 -0.141 0.000 0.931 417 K CA -1.861 54.389 56.287 -0.061 0.000 0.793 417 K CB 2.638 35.131 32.500 -0.012 0.000 1.211 417 K HN 0.108 nan 8.250 nan 0.000 0.426 418 P HA 0.007 nan 4.420 nan 0.000 0.271 418 P C -0.511 176.724 177.300 -0.108 0.000 1.216 418 P CA -0.474 62.404 63.100 -0.369 0.000 0.771 418 P CB 0.666 31.752 31.700 -1.024 0.000 0.864 419 V N 3.846 123.719 119.914 -0.070 0.000 2.584 419 V HA 0.106 4.226 4.120 0.000 0.000 0.303 419 V C 1.794 177.974 176.094 0.143 0.000 1.035 419 V CA 2.281 64.589 62.300 0.013 0.000 1.172 419 V CB -0.711 31.100 31.823 -0.021 0.000 0.896 419 V HN 1.060 nan 8.190 nan 0.000 0.486 420 G N 4.339 113.207 108.800 0.112 0.000 2.199 420 G HA2 -0.261 3.699 3.960 0.000 0.000 0.254 420 G HA3 -0.261 3.699 3.960 0.000 0.000 0.254 420 G C -0.066 174.891 174.900 0.096 0.000 0.982 420 G CA -0.041 45.108 45.100 0.081 0.000 0.632 420 G HN 0.501 nan 8.290 nan 0.000 0.529 421 F N 0.549 120.449 119.950 -0.082 0.000 2.371 421 F HA 0.567 5.094 4.527 0.000 0.000 0.329 421 F C 1.573 177.345 175.800 -0.045 0.000 1.107 421 F CA -0.290 57.657 58.000 -0.089 0.000 1.137 421 F CB 1.335 40.283 39.000 -0.087 0.000 1.214 421 F HN -0.031 nan 8.300 nan 0.000 0.536 422 K N 0.294 120.761 120.400 0.112 0.000 2.076 422 K HA -0.050 4.270 4.320 0.000 0.000 0.204 422 K C -0.316 176.353 176.600 0.116 0.000 1.051 422 K CA 0.844 57.192 56.287 0.103 0.000 0.949 422 K CB -0.058 32.502 32.500 0.100 0.000 0.726 422 K HN 0.604 nan 8.250 nan 0.000 0.443 423 D N 0.984 121.476 120.400 0.153 0.000 2.339 423 D HA 0.092 4.732 4.640 0.000 0.000 0.245 423 D C -0.255 176.090 176.300 0.076 0.000 1.115 423 D CA 0.164 54.231 54.000 0.113 0.000 0.917 423 D CB 1.517 42.394 40.800 0.129 0.000 1.192 423 D HN 0.289 nan 8.370 nan 0.000 0.428 424 S N 0.346 116.067 115.700 0.035 0.000 2.638 424 S HA 0.602 5.072 4.470 0.000 0.000 0.274 424 S C -1.535 173.057 174.600 -0.014 0.000 1.157 424 S CA -1.101 57.101 58.200 0.004 0.000 0.826 424 S CB 1.113 64.316 63.200 0.004 0.000 1.139 424 S HN 0.311 nan 8.310 nan 0.000 0.474 425 L N 1.566 122.772 121.223 -0.029 0.000 2.280 425 L HA 0.655 4.995 4.340 0.000 0.000 0.287 425 L C -1.232 175.564 176.870 -0.123 0.000 1.023 425 L CA -0.689 54.116 54.840 -0.058 0.000 0.819 425 L CB 0.332 42.376 42.059 -0.026 0.000 1.212 425 L HN 0.753 nan 8.230 nan 0.000 0.420 426 I N 5.877 126.357 120.570 -0.151 0.000 2.352 426 I HA 0.274 4.444 4.170 0.000 0.000 0.290 426 I C -0.419 175.484 176.117 -0.355 0.000 1.036 426 I CA -0.513 60.655 61.300 -0.220 0.000 1.336 426 I CB 1.326 39.236 38.000 -0.150 0.000 1.407 426 I HN 0.307 nan 8.210 nan 0.000 0.497 427 V N 6.935 126.487 119.914 -0.603 0.000 2.350 427 V HA 0.235 4.355 4.120 0.000 0.000 0.276 427 V C -0.062 175.684 176.094 -0.580 0.000 1.028 427 V CA -0.645 61.190 62.300 -0.774 0.000 0.860 427 V CB 1.131 32.139 31.823 -1.360 0.000 0.990 427 V HN 0.675 nan 8.190 nan 0.000 0.453 428 Q N 3.861 123.435 119.800 -0.376 0.000 2.398 428 Q HA 0.498 4.838 4.340 0.000 0.000 0.251 428 Q C -0.871 174.983 176.000 -0.242 0.000 0.999 428 Q CA -0.464 55.194 55.803 -0.242 0.000 0.874 428 Q CB 2.054 30.684 28.738 -0.180 0.000 1.215 428 Q HN 0.612 nan 8.270 nan 0.000 0.470 429 V N 2.523 122.310 119.914 -0.212 0.000 2.439 429 V HA 0.336 4.456 4.120 0.000 0.000 0.282 429 V C 0.183 176.038 176.094 -0.397 0.000 1.039 429 V CA -0.389 61.714 62.300 -0.329 0.000 0.913 429 V CB 1.614 33.211 31.823 -0.377 0.000 0.983 429 V HN 0.695 nan 8.190 nan 0.000 0.460 430 T N 5.376 119.680 114.554 -0.415 0.000 2.786 430 T HA 0.566 4.916 4.350 0.000 0.000 0.283 430 T C -0.560 173.903 174.700 -0.395 0.000 0.992 430 T CA -0.103 61.813 62.100 -0.307 0.000 0.954 430 T CB 0.503 69.281 68.868 -0.150 0.000 0.934 430 T HN 0.308 nan 8.240 nan 0.000 0.440 431 F N 2.288 122.231 119.950 -0.012 0.000 2.421 431 F HA 0.244 4.771 4.527 0.000 0.000 0.358 431 F C 1.069 176.854 175.800 -0.025 0.000 1.115 431 F CA -0.807 57.184 58.000 -0.015 0.000 1.160 431 F CB 0.586 39.580 39.000 -0.011 0.000 1.123 431 F HN 0.402 nan 8.300 nan 0.000 0.508 432 D N 3.599 124.056 120.400 0.095 0.000 2.563 432 D HA 0.192 4.832 4.640 0.000 0.000 0.222 432 D C 0.189 176.509 176.300 0.033 0.000 1.145 432 D CA 0.100 54.120 54.000 0.033 0.000 1.001 432 D CB 0.410 41.200 40.800 -0.018 0.000 1.049 432 D HN 0.582 nan 8.370 nan 0.000 0.515 433 c N 0.826 119.449 118.600 0.038 0.000 2.935 433 c HA 0.218 4.788 4.570 0.000 0.000 0.308 433 c C 0.629 174.706 174.090 -0.021 0.000 1.263 433 c CA -0.494 55.843 56.329 0.013 0.000 1.738 433 c CB 0.039 42.557 42.510 0.014 0.000 2.237 433 c HN 0.375 nan 8.230 nan 0.000 0.600 434 D N 0.207 120.593 120.400 -0.023 0.000 2.217 434 D HA 0.324 4.964 4.640 0.000 0.000 0.248 434 D C -0.518 175.750 176.300 -0.053 0.000 1.008 434 D CA -0.030 53.941 54.000 -0.049 0.000 0.914 434 D CB 1.229 42.006 40.800 -0.039 0.000 1.182 434 D HN 0.205 nan 8.370 nan 0.000 0.451 435 c N 1.216 119.765 118.600 -0.086 0.000 2.536 435 c HA 0.406 4.976 4.570 0.000 0.000 0.396 435 c C 1.978 176.040 174.090 -0.047 0.000 1.279 435 c CA -0.465 55.822 56.329 -0.071 0.000 2.148 435 c CB 0.512 42.937 42.510 -0.141 0.000 2.584 435 c HN 0.779 nan 8.230 nan 0.000 0.579 436 A N 1.549 124.360 122.820 -0.015 0.000 1.972 436 A HA -0.161 4.159 4.320 0.000 0.000 0.219 436 A C 2.032 179.610 177.584 -0.010 0.000 1.169 436 A CA 2.068 54.101 52.037 -0.007 0.000 0.635 436 A CB -0.875 18.130 19.000 0.009 0.000 0.810 436 A HN 1.134 nan 8.150 nan 0.000 0.446 437 c N -1.023 117.571 118.600 -0.009 0.000 2.430 437 c HA -0.043 4.527 4.570 0.000 0.000 0.288 437 c C 2.238 176.303 174.090 -0.042 0.000 1.448 437 c CA 0.723 57.046 56.329 -0.011 0.000 1.784 437 c CB -1.880 40.636 42.510 0.010 0.000 1.776 437 c HN 0.645 nan 8.230 nan 0.000 0.547 438 Q N 1.335 121.099 119.800 -0.059 0.000 2.291 438 Q HA 0.012 4.352 4.340 0.000 0.000 0.205 438 Q C 2.544 178.521 176.000 -0.038 0.000 0.970 438 Q CA 1.433 57.195 55.803 -0.068 0.000 0.876 438 Q CB -0.215 28.475 28.738 -0.079 0.000 0.935 438 Q HN 0.876 nan 8.270 nan 0.000 0.455 439 A N 0.505 123.312 122.820 -0.022 0.000 2.066 439 A HA -0.141 4.179 4.320 0.000 0.000 0.218 439 A C 1.660 179.246 177.584 0.002 0.000 1.157 439 A CA 0.926 52.959 52.037 -0.007 0.000 0.670 439 A CB 0.065 19.063 19.000 -0.003 0.000 0.804 439 A HN 0.143 nan 8.150 nan 0.000 0.453 440 Q N -0.173 119.628 119.800 0.002 0.000 2.320 440 Q HA 0.463 4.803 4.340 0.000 0.000 0.201 440 Q C 0.622 176.635 176.000 0.021 0.000 0.910 440 Q CA 0.432 56.246 55.803 0.018 0.000 0.946 440 Q CB -0.303 28.450 28.738 0.025 0.000 1.062 440 Q HN 0.588 nan 8.270 nan 0.000 0.503 441 A N 1.127 123.947 122.820 -0.001 0.000 2.555 441 A HA 0.010 4.330 4.320 0.000 0.000 0.233 441 A C -0.022 177.593 177.584 0.051 0.000 1.060 441 A CA 0.198 52.235 52.037 -0.001 0.000 0.759 441 A CB 0.102 19.091 19.000 -0.018 0.000 0.995 441 A HN 0.277 nan 8.150 nan 0.000 0.506 442 E N 2.728 122.986 120.200 0.096 0.000 2.149 442 E HA 0.421 4.771 4.350 0.000 0.000 0.255 442 E C -2.707 173.964 176.600 0.117 0.000 0.888 442 E CA -2.144 54.334 56.400 0.130 0.000 0.742 442 E CB 1.104 30.927 29.700 0.205 0.000 1.164 442 E HN 0.425 nan 8.360 nan 0.000 0.422 443 P HA 0.083 nan 4.420 nan 0.000 0.272 443 P C -0.796 176.554 177.300 0.084 0.000 1.230 443 P CA -0.211 62.936 63.100 0.078 0.000 0.788 443 P CB 0.465 32.205 31.700 0.067 0.000 0.949 444 N N -1.740 117.009 118.700 0.081 0.000 2.716 444 N HA -0.180 4.560 4.740 0.000 0.000 0.250 444 N C -0.284 175.273 175.510 0.078 0.000 1.033 444 N CA 0.811 53.909 53.050 0.079 0.000 0.727 444 N CB -1.710 36.827 38.487 0.084 0.000 0.950 444 N HN 0.360 nan 8.380 nan 0.000 0.541 445 S N -0.463 115.280 115.700 0.072 0.000 2.531 445 S HA 0.050 4.520 4.470 0.000 0.000 0.279 445 S C 1.673 176.285 174.600 0.020 0.000 1.305 445 S CA -0.014 58.230 58.200 0.073 0.000 1.058 445 S CB 0.470 63.709 63.200 0.066 0.000 0.899 445 S HN 0.552 nan 8.310 nan 0.000 0.493 446 H N 3.608 122.658 119.070 -0.034 0.000 2.518 446 H HA 0.018 4.574 4.556 0.000 0.000 0.292 446 H C 1.880 177.157 175.328 -0.084 0.000 1.068 446 H CA 1.588 57.606 56.048 -0.049 0.000 1.275 446 H CB 0.010 29.743 29.762 -0.048 0.000 1.375 446 H HN 0.583 nan 8.280 nan 0.000 0.563 447 R N -0.072 119.946 120.500 -0.803 0.000 2.299 447 R HA 0.178 4.518 4.340 0.000 0.000 0.197 447 R C -0.481 175.615 176.300 -0.341 0.000 0.971 447 R CA 0.467 56.118 56.100 -0.749 0.000 1.030 447 R CB 0.299 30.042 30.300 -0.928 0.000 0.932 447 R HN 0.360 nan 8.270 nan 0.000 0.477 448 c N 1.011 119.489 118.600 -0.204 0.000 2.437 448 c HA 0.368 4.938 4.570 0.000 0.000 0.307 448 c C -0.413 173.607 174.090 -0.116 0.000 1.093 448 c CA -1.126 55.135 56.329 -0.114 0.000 1.463 448 c CB -0.004 42.477 42.510 -0.049 0.000 1.926 448 c HN 0.666 nan 8.230 nan 0.000 0.420 449 N N 2.664 121.296 118.700 -0.113 0.000 2.735 449 N HA -0.234 4.506 4.740 0.000 0.000 0.248 449 N C 0.535 176.001 175.510 -0.073 0.000 1.083 449 N CA 0.909 53.894 53.050 -0.109 0.000 0.703 449 N CB -0.622 37.759 38.487 -0.176 0.000 1.005 449 N HN 0.961 nan 8.380 nan 0.000 0.550 450 N N -1.038 117.627 118.700 -0.059 0.000 2.708 450 N HA -0.232 4.508 4.740 0.000 0.000 0.251 450 N C 0.617 176.133 175.510 0.010 0.000 1.123 450 N CA 2.531 55.572 53.050 -0.015 0.000 0.739 450 N CB -1.174 37.313 38.487 0.001 0.000 1.113 450 N HN 0.896 nan 8.380 nan 0.000 0.561 451 G N -2.497 106.298 108.800 -0.008 0.000 2.234 451 G HA2 -0.184 3.776 3.960 0.000 0.000 0.153 451 G HA3 -0.184 3.776 3.960 0.000 0.000 0.153 451 G C 0.594 175.506 174.900 0.020 0.000 1.013 451 G CA 0.245 45.361 45.100 0.026 0.000 0.712 451 G HN 0.508 nan 8.290 nan 0.000 0.491 452 N N 0.008 118.671 118.700 -0.062 0.000 2.395 452 N HA 0.246 4.986 4.740 0.000 0.000 0.175 452 N C 1.400 176.752 175.510 -0.262 0.000 1.029 452 N CA 0.512 53.461 53.050 -0.169 0.000 0.897 452 N CB 0.399 38.616 38.487 -0.450 0.000 0.991 452 N HN 0.461 nan 8.380 nan 0.000 0.441 453 G N -0.426 108.266 108.800 -0.180 0.000 2.667 453 G HA2 0.423 4.383 3.960 0.000 0.000 0.310 453 G HA3 0.423 4.383 3.960 0.000 0.000 0.310 453 G C -0.881 174.009 174.900 -0.016 0.000 1.259 453 G CA -0.265 44.753 45.100 -0.138 0.000 1.019 453 G HN -0.148 nan 8.290 nan 0.000 0.496 454 T N 0.514 115.074 114.554 0.011 0.000 2.794 454 T HA 0.362 4.712 4.350 0.000 0.000 0.280 454 T C -1.150 173.619 174.700 0.114 0.000 0.987 454 T CA -0.084 62.053 62.100 0.061 0.000 0.993 454 T CB 1.151 70.039 68.868 0.034 0.000 0.939 454 T HN 0.286 nan 8.240 nan 0.000 0.449 455 F N 4.071 124.011 119.950 -0.016 0.000 2.390 455 F HA 0.435 4.962 4.527 0.000 0.000 0.361 455 F C 0.355 176.161 175.800 0.010 0.000 1.124 455 F CA -1.048 56.947 58.000 -0.008 0.000 1.149 455 F CB 0.261 39.254 39.000 -0.012 0.000 1.160 455 F HN 0.536 nan 8.300 nan 0.000 0.501 456 E N 5.294 125.250 120.200 -0.406 0.000 2.263 456 E HA 0.322 4.673 4.350 0.000 0.000 0.268 456 E C -0.447 175.928 176.600 -0.374 0.000 0.884 456 E CA -0.673 55.525 56.400 -0.337 0.000 0.766 456 E CB 1.344 30.939 29.700 -0.175 0.000 1.196 456 E HN 0.805 nan 8.360 nan 0.000 0.416 457 c N 3.867 122.288 118.600 -0.297 0.000 4.268 457 c HA -0.166 4.404 4.570 0.000 0.000 0.299 457 c C 1.405 175.523 174.090 0.046 0.000 1.429 457 c CA 0.944 57.234 56.329 -0.066 0.000 2.018 457 c CB -2.361 40.088 42.510 -0.102 0.000 1.277 457 c HN 1.232 nan 8.230 nan 0.000 0.767 458 G N -2.067 106.511 108.800 -0.370 0.000 2.199 458 G HA2 -0.008 3.952 3.960 0.000 0.000 0.254 458 G HA3 -0.008 3.952 3.960 0.000 0.000 0.254 458 G C 0.079 174.980 174.900 0.002 0.000 0.982 458 G CA 0.505 45.500 45.100 -0.175 0.000 0.632 458 G HN 2.214 nan 8.290 nan 0.000 0.529 459 V N -3.226 116.649 119.914 -0.064 0.000 3.141 459 V HA 0.833 4.953 4.120 0.000 0.000 0.312 459 V C 0.449 176.602 176.094 0.100 0.000 1.157 459 V CA -1.128 61.248 62.300 0.127 0.000 1.041 459 V CB 1.762 33.702 31.823 0.195 0.000 1.071 459 V HN 0.581 nan 8.190 nan 0.000 0.441 460 c N 2.657 121.348 118.600 0.152 0.000 2.330 460 c HA 0.756 5.326 4.570 0.000 0.000 0.344 460 c C 0.257 174.363 174.090 0.027 0.000 1.273 460 c CA -0.429 55.968 56.329 0.113 0.000 1.879 460 c CB -0.025 42.535 42.510 0.084 0.000 2.376 460 c HN 0.838 nan 8.230 nan 0.000 0.534 461 R N 1.840 122.339 120.500 -0.002 0.000 2.637 461 R HA 0.388 4.728 4.340 0.000 0.000 0.291 461 R C -0.647 175.620 176.300 -0.056 0.000 0.963 461 R CA -0.467 55.615 56.100 -0.030 0.000 0.901 461 R CB 1.344 31.621 30.300 -0.038 0.000 1.160 461 R HN 0.726 nan 8.270 nan 0.000 0.457 462 c N 1.830 120.390 118.600 -0.067 0.000 2.634 462 c HA 0.200 4.770 4.570 0.000 0.000 0.417 462 c C 1.562 175.634 174.090 -0.030 0.000 1.334 462 c CA 0.245 56.505 56.329 -0.114 0.000 1.829 462 c CB -0.076 42.405 42.510 -0.049 0.000 2.665 462 c HN 0.833 nan 8.230 nan 0.000 0.614 463 G N 3.858 112.635 108.800 -0.038 0.000 2.580 463 G HA2 0.493 4.453 3.960 0.000 0.000 0.278 463 G HA3 0.493 4.453 3.960 0.000 0.000 0.278 463 G C -2.704 172.410 174.900 0.357 0.000 1.212 463 G CA -0.666 44.534 45.100 0.167 0.000 0.939 463 G HN 0.560 nan 8.290 nan 0.000 0.513 464 P HA 0.225 nan 4.420 nan 0.000 0.264 464 P C 0.807 178.198 177.300 0.151 0.000 1.193 464 P CA 1.391 64.591 63.100 0.167 0.000 0.763 464 P CB 0.948 32.706 31.700 0.098 0.000 0.810 465 G N 0.529 109.372 108.800 0.071 0.000 2.159 465 G HA2 -0.215 3.746 3.960 0.000 0.000 0.256 465 G HA3 -0.215 3.746 3.960 0.000 0.000 0.256 465 G C -0.446 174.352 174.900 -0.170 0.000 0.977 465 G CA -0.591 44.467 45.100 -0.070 0.000 0.652 465 G HN 0.376 nan 8.290 nan 0.000 0.531 466 W N -0.374 120.928 121.300 0.002 0.000 2.436 466 W HA 0.798 5.458 4.660 0.000 0.000 0.347 466 W C 0.591 177.111 176.519 0.002 0.000 1.136 466 W CA -0.941 56.406 57.345 0.003 0.000 1.286 466 W CB 0.882 30.346 29.460 0.006 0.000 1.253 466 W HN 0.053 nan 8.180 nan 0.000 0.617 467 L N 1.725 123.098 121.223 0.251 0.000 2.323 467 L HA 0.887 5.227 4.340 0.000 0.000 0.265 467 L C 0.525 177.475 176.870 0.134 0.000 1.012 467 L CA -0.913 54.012 54.840 0.142 0.000 0.820 467 L CB 1.763 43.871 42.059 0.082 0.000 1.334 467 L HN 0.696 nan 8.230 nan 0.000 0.427 468 G N 0.430 109.280 108.800 0.084 0.000 2.692 468 G HA2 -0.199 3.761 3.960 0.000 0.000 0.686 468 G HA3 -0.199 3.761 3.960 0.000 0.000 0.686 468 G C 0.465 175.395 174.900 0.049 0.000 1.243 468 G CA -0.099 45.038 45.100 0.062 0.000 0.782 468 G HN 0.879 nan 8.290 nan 0.000 0.625 469 S N -0.055 115.663 115.700 0.031 0.000 2.343 469 S HA -0.123 4.347 4.470 0.000 0.000 0.219 469 S C 1.621 176.225 174.600 0.007 0.000 1.033 469 S CA 2.009 60.220 58.200 0.018 0.000 1.014 469 S CB -0.178 63.031 63.200 0.015 0.000 0.915 469 S HN 0.859 nan 8.310 nan 0.000 0.435 470 Q N 0.436 120.239 119.800 0.005 0.000 2.189 470 Q HA 0.411 4.751 4.340 0.000 0.000 0.221 470 Q C -0.190 175.799 176.000 -0.018 0.000 0.848 470 Q CA -0.222 55.572 55.803 -0.015 0.000 1.007 470 Q CB -0.051 28.680 28.738 -0.011 0.000 1.116 470 Q HN 0.618 nan 8.270 nan 0.000 0.481 471 c N 0.000 118.609 118.600 0.015 0.000 2.653 471 c HA 0.000 4.570 4.570 0.000 0.000 0.325 471 c CA 0.000 56.365 56.329 0.060 0.000 1.963 471 c CB 0.000 42.508 42.510 -0.003 0.000 2.134 471 c HN 0.000 nan 8.230 nan 0.000 0.568