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 3ly6_1_C DATA FIRST_RESID 4 DATA SEQUENCE ELVLERCDLE LETNGRDHHT ADLCREKLVV RRGQPFWLTL HFEGRNYEAS DATA SEQUENCE VDSLTFSVVT GPAPSQEAGT KARFPLRDAV XXGDWTATVV DQQDCTLSLQ DATA SEQUENCE LTTPANAPIG LYRLSLEAST GYQGSSFVLG HFILLFNAWC PADAVYLDSE DATA SEQUENCE EERQEYVLTQ QGFIYQGSAK FIKNIPWNFG QFEDGILDIC LILLDVNPKF DATA SEQUENCE LKNAGRDCSR RSSPVYVGRV GSGMVNcNDD QGVLLGRWDN NYGDGVSPMS DATA SEQUENCE WIGSVDILRR WKNHGCQRVK YGQCWVFAAV ACTVLRCLGI PTRVVTNYNS DATA SEQUENCE AHDQNSNLLI EYFRNEFGEI QGDKSEMIWN FHCWVESWMT RPDLQPGYEG DATA SEQUENCE WQALDPTPQE KSEGTYcCGP VPVRAIKEGD LSTKYDAPFV FAEVNADVVD DATA SEQUENCE WIQQDDGSVH KSINRSLIVG LKISTKSVGR DEREDITHTY KYPEGSSEER DATA SEQUENCE EAFTRANHLN KLAEKEETGM AMRIRVGQSM NMGSDFDVFA HITNNTAEEY DATA SEQUENCE VCRLLLCART VSYNGILGPE CGTKYLLNLN LEPFSEKSVP LCILYEKYRD DATA SEQUENCE CLTESNLIKV RALLVEPVIN SYLLAERDLY LENPEIKIRI LGEPKQKRKL DATA SEQUENCE VAEVSLQNPL PVALEGCTFT VEGAGLTEEQ KTVEIPDPVE AGEEVKVRMD DATA SEQUENCE LLPLHMGLHK LVVNFESDKL KAVKGFRNVI IGPAL 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.545 176.600 -0.092 0.000 1.382 4 E CA 0.000 56.358 56.400 -0.070 0.000 0.976 4 E CB 0.000 29.657 29.700 -0.072 0.000 0.812 5 L N 1.941 123.130 121.223 -0.057 0.000 2.493 5 L HA 0.518 4.818 4.340 -0.067 0.000 0.265 5 L C -1.022 175.849 176.870 0.001 0.000 0.954 5 L CA -0.882 53.932 54.840 -0.043 0.000 0.844 5 L CB 1.604 43.653 42.059 -0.017 0.000 1.302 5 L HN 0.632 nan 8.230 nan 0.000 0.405 6 V N 3.607 123.532 119.914 0.018 0.000 2.673 6 V HA 0.104 4.184 4.120 -0.067 0.000 0.303 6 V C 1.190 177.415 176.094 0.218 0.000 1.046 6 V CA -0.224 62.136 62.300 0.100 0.000 1.126 6 V CB 0.324 32.234 31.823 0.145 0.000 0.934 6 V HN 0.752 nan 8.190 nan 0.000 0.487 7 L N 1.662 123.067 121.223 0.303 0.000 2.035 7 L HA 0.321 4.621 4.340 -0.067 0.000 0.207 7 L C 1.203 178.280 176.870 0.346 0.000 1.173 7 L CA 1.229 56.249 54.840 0.299 0.000 0.852 7 L CB -0.599 41.608 42.059 0.247 0.000 0.946 7 L HN 1.073 nan 8.230 nan 0.000 0.483 8 E N 0.729 121.125 120.200 0.326 0.000 6.253 8 E HA -0.156 4.154 4.350 -0.067 0.000 0.182 8 E C -0.791 175.766 176.600 -0.072 0.000 1.242 8 E CA -0.082 56.270 56.400 -0.081 0.000 1.417 8 E CB -0.220 29.416 29.700 -0.106 0.000 0.969 8 E HN 0.427 nan 8.360 nan 0.000 0.317 9 R N 2.827 123.289 120.500 -0.063 0.000 2.997 9 R HA 0.451 4.750 4.340 -0.067 0.000 0.358 9 R C -0.337 175.907 176.300 -0.093 0.000 1.191 9 R CA 0.056 56.123 56.100 -0.055 0.000 1.113 9 R CB 0.271 30.570 30.300 -0.001 0.000 1.433 9 R HN 0.425 nan 8.270 nan 0.000 0.584 10 C N -0.598 118.615 119.300 -0.145 0.000 2.873 10 C HA 0.122 4.542 4.460 -0.067 0.000 0.316 10 C C -1.774 173.126 174.990 -0.151 0.000 1.294 10 C CA -0.780 58.137 59.018 -0.167 0.000 1.222 10 C CB 2.045 29.630 27.740 -0.257 0.000 1.309 10 C HN 0.704 nan 8.230 nan 0.000 0.460 11 D N 1.510 121.837 120.400 -0.123 0.000 2.926 11 D HA 0.227 4.827 4.640 -0.067 0.000 0.234 11 D C -0.991 175.295 176.300 -0.023 0.000 1.434 11 D CA -0.162 53.804 54.000 -0.057 0.000 0.951 11 D CB -0.029 40.718 40.800 -0.088 0.000 1.500 11 D HN 0.602 nan 8.370 nan 0.000 0.558 12 L N 1.477 122.708 121.223 0.014 0.000 2.467 12 L HA 0.275 4.575 4.340 -0.067 0.000 0.270 12 L C 0.995 177.914 176.870 0.081 0.000 1.205 12 L CA 0.259 55.122 54.840 0.038 0.000 0.828 12 L CB 0.849 42.959 42.059 0.086 0.000 1.101 12 L HN 0.331 nan 8.230 nan 0.000 0.479 13 E N 3.068 123.316 120.200 0.081 0.000 2.541 13 E HA 0.214 4.523 4.350 -0.067 0.000 0.219 13 E C -0.251 176.418 176.600 0.115 0.000 0.922 13 E CA -0.359 56.103 56.400 0.104 0.000 1.095 13 E CB 0.465 30.205 29.700 0.066 0.000 1.112 13 E HN 0.442 nan 8.360 nan 0.000 0.516 14 L N 0.940 122.226 121.223 0.106 0.000 0.628 14 L HA -0.289 4.011 4.340 -0.067 0.000 0.357 14 L C 0.930 177.812 176.870 0.020 0.000 1.003 14 L CA 1.285 56.182 54.840 0.095 0.000 1.222 14 L CB -0.384 41.794 42.059 0.198 0.000 0.017 14 L HN 0.168 nan 8.230 nan 0.000 0.108 15 E N -1.819 118.373 120.200 -0.013 0.000 2.476 15 E HA 0.062 4.372 4.350 -0.067 0.000 0.199 15 E C 1.257 177.798 176.600 -0.098 0.000 1.021 15 E CA 0.546 56.914 56.400 -0.054 0.000 0.907 15 E CB -0.084 29.589 29.700 -0.045 0.000 0.974 15 E HN 0.790 nan 8.360 nan 0.000 0.489 16 T N -1.709 112.770 114.554 -0.124 0.000 3.072 16 T HA -0.016 4.293 4.350 -0.067 0.000 0.266 16 T C 1.140 175.708 174.700 -0.220 0.000 1.127 16 T CA 0.936 62.903 62.100 -0.222 0.000 1.107 16 T CB -0.318 68.323 68.868 -0.379 0.000 0.910 16 T HN 0.056 nan 8.240 nan 0.000 0.513 17 N N 1.612 120.227 118.700 -0.142 0.000 2.207 17 N HA 0.153 4.853 4.740 -0.067 0.000 0.182 17 N C 2.203 177.639 175.510 -0.124 0.000 1.020 17 N CA 1.076 54.061 53.050 -0.108 0.000 0.858 17 N CB -0.780 37.629 38.487 -0.130 0.000 0.991 17 N HN 0.497 nan 8.380 nan 0.000 0.427 18 G N 1.082 109.795 108.800 -0.145 0.000 2.459 18 G HA2 -0.262 3.658 3.960 -0.067 0.000 0.217 18 G HA3 -0.262 3.658 3.960 -0.067 0.000 0.217 18 G C 1.551 176.344 174.900 -0.178 0.000 1.183 18 G CA 0.527 45.538 45.100 -0.150 0.000 0.776 18 G HN 0.203 nan 8.290 nan 0.000 0.552 19 R N 0.151 120.537 120.500 -0.191 0.000 2.105 19 R HA -0.073 4.227 4.340 -0.067 0.000 0.239 19 R C 2.234 178.304 176.300 -0.382 0.000 1.135 19 R CA 1.516 57.463 56.100 -0.255 0.000 0.967 19 R CB -0.296 29.877 30.300 -0.211 0.000 0.861 19 R HN 0.281 nan 8.270 nan 0.000 0.442 20 D N -0.849 119.383 120.400 -0.281 0.000 2.144 20 D HA -0.088 4.511 4.640 -0.067 0.000 0.200 20 D C 1.208 177.287 176.300 -0.367 0.000 0.978 20 D CA 1.098 54.924 54.000 -0.291 0.000 0.833 20 D CB 0.019 40.749 40.800 -0.116 0.000 0.961 20 D HN 0.373 nan 8.370 nan 0.000 0.470 21 H N -1.049 117.819 119.070 -0.338 0.000 2.517 21 H HA 0.108 4.624 4.556 -0.068 0.000 0.282 21 H C -0.226 174.959 175.328 -0.239 0.000 1.023 21 H CA -0.035 55.881 56.048 -0.221 0.000 1.169 21 H CB 0.131 29.796 29.762 -0.160 0.000 1.454 21 H HN 0.248 nan 8.280 nan 0.000 0.556 22 H N 0.483 119.321 119.070 -0.387 0.000 2.677 22 H HA -0.146 4.369 4.556 -0.067 0.000 0.321 22 H C 0.489 175.639 175.328 -0.297 0.000 1.171 22 H CA 1.112 56.894 56.048 -0.443 0.000 1.139 22 H CB -1.944 27.249 29.762 -0.948 0.000 1.515 22 H HN 0.470 nan 8.280 nan 0.000 0.423 23 T N -4.662 109.780 114.554 -0.187 0.000 3.541 23 T HA 0.655 4.964 4.350 -0.067 0.000 0.309 23 T C 1.616 176.178 174.700 -0.230 0.000 0.973 23 T CA 0.076 62.025 62.100 -0.251 0.000 0.993 23 T CB 0.378 69.148 68.868 -0.163 0.000 1.206 23 T HN 0.483 nan 8.240 nan 0.000 0.489 24 A N 2.592 125.300 122.820 -0.186 0.000 1.865 24 A HA -0.125 4.154 4.320 -0.067 0.000 0.217 24 A C 2.040 179.582 177.584 -0.070 0.000 1.191 24 A CA 2.091 54.060 52.037 -0.113 0.000 0.623 24 A CB -0.831 18.123 19.000 -0.076 0.000 0.826 24 A HN 0.488 nan 8.150 nan 0.000 0.444 25 D N -0.486 119.874 120.400 -0.067 0.000 2.123 25 D HA -0.119 4.480 4.640 -0.067 0.000 0.196 25 D C 1.598 177.884 176.300 -0.024 0.000 0.992 25 D CA 0.955 54.979 54.000 0.039 0.000 0.833 25 D CB -0.406 40.415 40.800 0.035 0.000 0.954 25 D HN 0.271 nan 8.370 nan 0.000 0.455 26 L N 0.152 121.257 121.223 -0.196 0.000 2.465 26 L HA -0.021 4.279 4.340 -0.067 0.000 0.224 26 L C 0.649 177.480 176.870 -0.065 0.000 1.145 26 L CA 0.441 55.201 54.840 -0.134 0.000 0.834 26 L CB -0.141 41.771 42.059 -0.246 0.000 0.944 26 L HN 0.012 nan 8.230 nan 0.000 0.451 27 C N 1.465 120.723 119.300 -0.070 0.000 2.183 27 C HA 0.359 4.778 4.460 -0.067 0.000 0.409 27 C C 0.623 175.603 174.990 -0.017 0.000 1.022 27 C CA -0.602 58.386 59.018 -0.050 0.000 1.367 27 C CB -1.742 25.953 27.740 -0.076 0.000 1.650 27 C HN 0.251 nan 8.230 nan 0.000 0.499 28 R N 1.788 122.288 120.500 0.001 0.000 2.502 28 R HA 0.285 4.584 4.340 -0.067 0.000 0.298 28 R C -0.324 175.985 176.300 0.014 0.000 1.018 28 R CA -0.535 55.573 56.100 0.012 0.000 0.899 28 R CB 1.124 31.442 30.300 0.030 0.000 1.181 28 R HN 0.420 nan 8.270 nan 0.000 0.444 29 E N 2.221 122.428 120.200 0.011 0.000 2.210 29 E HA -0.257 4.052 4.350 -0.067 0.000 0.201 29 E C -1.193 175.422 176.600 0.025 0.000 1.339 29 E CA 1.388 57.797 56.400 0.016 0.000 0.699 29 E CB -0.760 28.950 29.700 0.016 0.000 1.126 29 E HN 0.546 nan 8.360 nan 0.000 0.355 30 K N -0.005 120.411 120.400 0.027 0.000 2.939 30 K HA 0.057 4.336 4.320 -0.067 0.000 0.388 30 K C -1.388 175.230 176.600 0.030 0.000 1.348 30 K CA -0.590 55.724 56.287 0.045 0.000 1.088 30 K CB -0.088 32.440 32.500 0.047 0.000 1.345 30 K HN 0.089 nan 8.250 nan 0.000 0.442 31 L N 4.487 125.733 121.223 0.037 0.000 2.453 31 L HA 0.425 4.725 4.340 -0.067 0.000 0.272 31 L C -1.071 175.785 176.870 -0.024 0.000 1.182 31 L CA 0.499 55.325 54.840 -0.022 0.000 0.858 31 L CB 1.266 43.297 42.059 -0.048 0.000 1.120 31 L HN 0.309 nan 8.230 nan 0.000 0.474 32 V N 5.933 125.782 119.914 -0.109 0.000 2.638 32 V HA 0.736 4.816 4.120 -0.067 0.000 0.306 32 V C -0.320 175.627 176.094 -0.245 0.000 1.052 32 V CA -0.278 61.963 62.300 -0.099 0.000 0.885 32 V CB 1.678 33.468 31.823 -0.056 0.000 0.999 32 V HN 0.799 nan 8.190 nan 0.000 0.424 33 V N 2.314 122.058 119.914 -0.283 0.000 3.182 33 V HA 0.753 4.832 4.120 -0.067 0.000 0.308 33 V C -0.891 175.179 176.094 -0.040 0.000 1.240 33 V CA -1.260 60.794 62.300 -0.410 0.000 1.063 33 V CB 2.546 33.747 31.823 -1.037 0.000 1.076 33 V HN 0.800 nan 8.190 nan 0.000 0.446 34 R N 1.210 121.882 120.500 0.287 0.000 2.437 34 R HA 0.557 4.857 4.340 -0.067 0.000 0.310 34 R C -0.095 176.295 176.300 0.149 0.000 0.955 34 R CA -0.840 55.387 56.100 0.213 0.000 0.851 34 R CB 1.956 32.411 30.300 0.258 0.000 1.161 34 R HN 0.976 nan 8.270 nan 0.000 0.446 35 R N 0.779 121.310 120.500 0.053 0.000 2.802 35 R HA 0.054 4.354 4.340 -0.067 0.000 0.264 35 R C 0.519 176.815 176.300 -0.007 0.000 0.996 35 R CA 0.803 56.887 56.100 -0.026 0.000 1.123 35 R CB 0.008 30.280 30.300 -0.046 0.000 0.996 35 R HN 0.811 nan 8.270 nan 0.000 0.444 36 G N -0.039 108.708 108.800 -0.088 0.000 2.148 36 G HA2 -0.352 3.567 3.960 -0.067 0.000 0.254 36 G HA3 -0.352 3.567 3.960 -0.067 0.000 0.254 36 G C -0.113 174.753 174.900 -0.057 0.000 0.981 36 G CA 0.722 45.776 45.100 -0.076 0.000 0.670 36 G HN 0.809 nan 8.290 nan 0.000 0.528 37 Q N -0.017 119.765 119.800 -0.029 0.000 2.421 37 Q HA 0.613 4.913 4.340 -0.067 0.000 0.280 37 Q C -2.858 173.207 176.000 0.108 0.000 1.085 37 Q CA -2.166 53.617 55.803 -0.033 0.000 0.807 37 Q CB 3.289 31.899 28.738 -0.213 0.000 1.405 37 Q HN 0.205 nan 8.270 nan 0.000 0.419 38 P HA 0.356 nan 4.420 nan 0.000 0.287 38 P C -1.397 176.115 177.300 0.353 0.000 1.270 38 P CA -0.316 62.848 63.100 0.106 0.000 0.844 38 P CB 0.601 32.296 31.700 -0.008 0.000 1.068 39 F N -1.335 118.662 119.950 0.079 0.000 2.569 39 F HA 0.565 5.053 4.527 -0.065 0.000 0.312 39 F C -0.560 175.328 175.800 0.147 0.000 1.109 39 F CA -1.594 56.452 58.000 0.077 0.000 0.919 39 F CB 0.346 39.238 39.000 -0.180 0.000 1.211 39 F HN 0.187 nan 8.300 nan 0.000 0.446 40 W N 3.488 124.826 121.300 0.063 0.000 2.124 40 W HA 0.414 5.041 4.660 -0.055 0.000 0.356 40 W C -0.284 176.235 176.519 0.001 0.000 1.302 40 W CA -0.744 56.598 57.345 -0.005 0.000 1.293 40 W CB 0.506 29.980 29.460 0.023 0.000 1.199 40 W HN 0.742 nan 8.180 nan 0.000 0.606 41 L N 3.306 124.594 121.223 0.109 0.000 2.722 41 L HA 0.111 4.410 4.340 -0.067 0.000 0.244 41 L C -0.070 176.786 176.870 -0.024 0.000 1.023 41 L CA -0.254 54.613 54.840 0.044 0.000 0.988 41 L CB 0.079 42.102 42.059 -0.062 0.000 1.245 41 L HN 0.453 nan 8.230 nan 0.000 0.508 42 T N 1.010 115.570 114.554 0.011 0.000 2.869 42 T HA 0.605 4.915 4.350 -0.067 0.000 0.295 42 T C -0.177 174.551 174.700 0.047 0.000 0.987 42 T CA -0.466 61.617 62.100 -0.030 0.000 1.109 42 T CB 1.562 70.429 68.868 -0.001 0.000 0.932 42 T HN 0.394 nan 8.240 nan 0.000 0.518 43 L N 2.789 123.990 121.223 -0.035 0.000 2.346 43 L HA 0.480 4.779 4.340 -0.067 0.000 0.276 43 L C -0.691 176.076 176.870 -0.172 0.000 1.006 43 L CA -1.118 53.682 54.840 -0.067 0.000 0.817 43 L CB 1.737 43.705 42.059 -0.151 0.000 1.272 43 L HN 0.786 nan 8.230 nan 0.000 0.421 44 H N 2.608 121.501 119.070 -0.295 0.000 2.587 44 H HA 0.512 5.031 4.556 -0.061 0.000 0.325 44 H C -1.005 174.159 175.328 -0.273 0.000 1.012 44 H CA -0.408 55.543 56.048 -0.162 0.000 1.213 44 H CB 1.031 30.745 29.762 -0.080 0.000 1.431 44 H HN 0.194 nan 8.280 nan 0.000 0.492 45 F N 0.330 120.345 119.950 0.107 0.000 2.483 45 F HA 0.338 4.852 4.527 -0.023 0.000 0.329 45 F C 0.824 176.670 175.800 0.075 0.000 1.064 45 F CA -0.893 57.161 58.000 0.090 0.000 0.986 45 F CB 1.173 40.221 39.000 0.080 0.000 1.218 45 F HN 0.384 nan 8.300 nan 0.000 0.484 46 E N 0.370 120.722 120.200 0.254 0.000 2.242 46 E HA 0.412 4.721 4.350 -0.067 0.000 0.275 46 E C 0.887 177.566 176.600 0.131 0.000 1.002 46 E CA 0.551 57.044 56.400 0.154 0.000 0.841 46 E CB 1.538 31.302 29.700 0.107 0.000 1.109 46 E HN 0.752 nan 8.360 nan 0.000 0.394 47 G N 5.075 113.929 108.800 0.090 0.000 4.862 47 G HA2 -0.381 3.539 3.960 -0.067 0.000 0.344 47 G HA3 -0.381 3.539 3.960 -0.067 0.000 0.344 47 G C 0.556 175.485 174.900 0.049 0.000 1.365 47 G CA 0.908 46.043 45.100 0.059 0.000 1.066 47 G HN 0.588 nan 8.290 nan 0.000 0.808 48 R N 1.410 121.935 120.500 0.041 0.000 2.410 48 R HA 0.451 4.751 4.340 -0.067 0.000 0.288 48 R C 0.756 177.033 176.300 -0.040 0.000 1.051 48 R CA -0.308 55.785 56.100 -0.011 0.000 1.021 48 R CB 0.502 30.776 30.300 -0.043 0.000 1.032 48 R HN 0.546 nan 8.270 nan 0.000 0.481 49 N N 1.408 120.051 118.700 -0.094 0.000 2.465 49 N HA -0.020 4.680 4.740 -0.067 0.000 0.294 49 N C -1.095 174.191 175.510 -0.374 0.000 1.333 49 N CA -0.212 52.745 53.050 -0.155 0.000 0.932 49 N CB 0.171 38.621 38.487 -0.062 0.000 1.092 49 N HN 0.488 nan 8.380 nan 0.000 0.519 50 Y N 0.416 120.440 120.300 -0.460 0.000 2.308 50 Y HA 0.250 4.763 4.550 -0.062 0.000 0.329 50 Y C -0.565 175.185 175.900 -0.249 0.000 1.111 50 Y CA -0.543 57.284 58.100 -0.455 0.000 1.179 50 Y CB 0.887 39.149 38.460 -0.330 0.000 1.201 50 Y HN 0.367 nan 8.280 nan 0.000 0.483 51 E N 4.559 124.232 120.200 -0.879 0.000 2.121 51 E HA 0.380 4.689 4.350 -0.067 0.000 0.255 51 E C 0.405 176.402 176.600 -1.006 0.000 0.906 51 E CA 0.189 56.161 56.400 -0.714 0.000 0.745 51 E CB 0.996 30.455 29.700 -0.402 0.000 1.155 51 E HN 0.810 nan 8.360 nan 0.000 0.424 52 A N 2.595 124.839 122.820 -0.959 0.000 1.986 52 A HA -0.244 4.035 4.320 -0.067 0.000 0.220 52 A C 1.924 179.316 177.584 -0.320 0.000 1.171 52 A CA 2.153 53.840 52.037 -0.584 0.000 0.640 52 A CB -0.402 18.483 19.000 -0.192 0.000 0.811 52 A HN 0.589 nan 8.150 nan 0.000 0.451 53 S N -0.770 114.762 115.700 -0.280 0.000 2.482 53 S HA -0.200 4.230 4.470 -0.067 0.000 0.226 53 S C 1.864 176.368 174.600 -0.160 0.000 1.048 53 S CA 1.601 59.696 58.200 -0.176 0.000 1.158 53 S CB -1.128 61.977 63.200 -0.158 0.000 1.130 53 S HN 0.641 nan 8.310 nan 0.000 0.413 54 V N 2.353 122.159 119.914 -0.179 0.000 2.649 54 V HA 0.025 4.105 4.120 -0.067 0.000 0.248 54 V C -0.401 175.595 176.094 -0.164 0.000 1.054 54 V CA 0.986 63.196 62.300 -0.150 0.000 1.073 54 V CB -0.562 31.174 31.823 -0.144 0.000 0.699 54 V HN 0.304 nan 8.190 nan 0.000 0.463 55 D N 1.264 121.528 120.400 -0.227 0.000 2.351 55 D HA 0.285 4.885 4.640 -0.067 0.000 0.251 55 D C -0.225 176.061 176.300 -0.024 0.000 1.137 55 D CA 0.600 54.509 54.000 -0.152 0.000 0.879 55 D CB 1.401 42.067 40.800 -0.222 0.000 1.181 55 D HN 0.260 nan 8.370 nan 0.000 0.448 56 S N 2.832 118.542 115.700 0.016 0.000 2.389 56 S HA 0.354 4.784 4.470 -0.067 0.000 0.201 56 S C -0.653 173.933 174.600 -0.023 0.000 1.422 56 S CA -0.907 57.307 58.200 0.023 0.000 1.216 56 S CB -0.388 62.800 63.200 -0.020 0.000 1.130 56 S HN 0.409 nan 8.310 nan 0.000 0.465 57 L N 2.828 124.025 121.223 -0.044 0.000 2.295 57 L HA 0.854 5.153 4.340 -0.067 0.000 0.285 57 L C -0.186 176.463 176.870 -0.367 0.000 1.035 57 L CA -0.475 54.247 54.840 -0.197 0.000 0.806 57 L CB 1.429 43.360 42.059 -0.213 0.000 1.214 57 L HN 0.497 nan 8.230 nan 0.000 0.426 58 T N 1.782 116.125 114.554 -0.352 0.000 2.856 58 T HA 0.608 4.917 4.350 -0.067 0.000 0.283 58 T C -0.505 173.925 174.700 -0.450 0.000 1.008 58 T CA -0.375 61.499 62.100 -0.376 0.000 0.997 58 T CB 1.005 69.762 68.868 -0.186 0.000 0.992 58 T HN 0.497 nan 8.240 nan 0.000 0.454 59 F N 1.982 121.735 119.950 -0.328 0.000 2.411 59 F HA 0.668 5.154 4.527 -0.068 0.000 0.324 59 F C 0.947 176.328 175.800 -0.697 0.000 1.086 59 F CA -0.608 57.087 58.000 -0.509 0.000 1.028 59 F CB 1.936 40.543 39.000 -0.656 0.000 1.284 59 F HN 0.835 nan 8.300 nan 0.000 0.501 60 S N 0.133 115.680 115.700 -0.255 0.000 2.548 60 S HA 0.655 5.085 4.470 -0.067 0.000 0.278 60 S C -1.358 173.215 174.600 -0.045 0.000 1.150 60 S CA -0.965 57.107 58.200 -0.213 0.000 0.907 60 S CB 1.126 64.261 63.200 -0.107 0.000 1.108 60 S HN 0.889 nan 8.310 nan 0.000 0.459 61 V N -0.360 119.548 119.914 -0.010 0.000 2.733 61 V HA 0.981 5.061 4.120 -0.067 0.000 0.306 61 V C -0.271 175.843 176.094 0.033 0.000 1.084 61 V CA -0.591 61.769 62.300 0.099 0.000 0.905 61 V CB 0.924 32.931 31.823 0.306 0.000 1.010 61 V HN 1.782 nan 8.190 nan 0.000 0.424 62 V N 1.107 121.029 119.914 0.012 0.000 2.864 62 V HA 0.858 4.937 4.120 -0.067 0.000 0.314 62 V C 0.207 176.134 176.094 -0.278 0.000 1.073 62 V CA 0.645 62.888 62.300 -0.096 0.000 0.956 62 V CB 1.548 33.330 31.823 -0.070 0.000 1.023 62 V HN 1.161 nan 8.190 nan 0.000 0.435 63 T N 1.989 116.291 114.554 -0.419 0.000 3.361 63 T HA 0.394 4.703 4.350 -0.067 0.000 0.241 63 T C 1.086 175.625 174.700 -0.269 0.000 0.998 63 T CA 0.782 62.514 62.100 -0.612 0.000 1.215 63 T CB -0.397 67.734 68.868 -1.229 0.000 1.196 63 T HN 1.510 nan 8.240 nan 0.000 0.376 64 G N 2.437 111.133 108.800 -0.174 0.000 2.825 64 G HA2 0.223 4.143 3.960 -0.067 0.000 0.241 64 G HA3 0.223 4.143 3.960 -0.067 0.000 0.241 64 G C -1.251 173.633 174.900 -0.027 0.000 1.239 64 G CA -0.153 44.916 45.100 -0.051 0.000 0.859 64 G HN 0.412 nan 8.290 nan 0.000 0.598 65 P HA 0.105 nan 4.420 nan 0.000 0.237 65 P C 0.244 177.532 177.300 -0.019 0.000 1.178 65 P CA 1.198 64.312 63.100 0.025 0.000 0.766 65 P CB 0.546 32.297 31.700 0.085 0.000 0.876 66 A N 0.325 123.118 122.820 -0.044 0.000 3.216 66 A HA 0.558 4.838 4.320 -0.067 0.000 0.321 66 A C -2.575 174.978 177.584 -0.051 0.000 1.042 66 A CA -1.460 50.547 52.037 -0.051 0.000 0.838 66 A CB -0.064 18.895 19.000 -0.069 0.000 1.136 66 A HN -0.020 nan 8.150 nan 0.000 0.483 67 P HA 0.208 nan 4.420 nan 0.000 0.273 67 P C 0.192 177.468 177.300 -0.040 0.000 1.248 67 P CA 0.449 63.515 63.100 -0.056 0.000 0.817 67 P CB 0.404 32.069 31.700 -0.058 0.000 0.995 68 S N -1.581 114.098 115.700 -0.036 0.000 2.669 68 S HA 0.117 4.546 4.470 -0.067 0.000 0.304 68 S C 0.233 174.825 174.600 -0.013 0.000 1.021 68 S CA -0.533 57.655 58.200 -0.021 0.000 0.854 68 S CB 0.632 63.823 63.200 -0.016 0.000 1.048 68 S HN 0.356 nan 8.310 nan 0.000 0.452 69 Q N 2.543 122.339 119.800 -0.007 0.000 2.083 69 Q HA 0.075 4.375 4.340 -0.067 0.000 0.198 69 Q C 1.700 177.714 176.000 0.023 0.000 0.969 69 Q CA 2.349 58.153 55.803 0.003 0.000 0.838 69 Q CB -0.126 28.617 28.738 0.008 0.000 0.900 69 Q HN 0.825 nan 8.270 nan 0.000 0.436 70 E N -1.089 119.123 120.200 0.020 0.000 2.158 70 E HA -0.045 4.265 4.350 -0.067 0.000 0.191 70 E C 0.943 177.562 176.600 0.031 0.000 0.982 70 E CA 0.738 57.154 56.400 0.027 0.000 0.823 70 E CB -0.091 29.619 29.700 0.017 0.000 0.766 70 E HN 0.384 nan 8.360 nan 0.000 0.468 71 A N 0.399 123.232 122.820 0.022 0.000 2.276 71 A HA 0.284 4.564 4.320 -0.067 0.000 0.212 71 A C 1.495 179.109 177.584 0.051 0.000 1.230 71 A CA 0.613 52.663 52.037 0.023 0.000 0.844 71 A CB -0.704 18.297 19.000 0.002 0.000 0.860 71 A HN 0.410 nan 8.150 nan 0.000 0.486 72 G N -0.176 108.669 108.800 0.074 0.000 2.296 72 G HA2 -0.335 3.585 3.960 -0.067 0.000 0.282 72 G HA3 -0.335 3.585 3.960 -0.067 0.000 0.282 72 G C 0.760 175.747 174.900 0.145 0.000 1.014 72 G CA 1.461 46.642 45.100 0.135 0.000 0.812 72 G HN 1.385 nan 8.290 nan 0.000 0.508 73 T N -3.831 110.761 114.554 0.064 0.000 3.084 73 T HA 0.539 4.848 4.350 -0.067 0.000 0.270 73 T C 0.289 174.960 174.700 -0.048 0.000 1.008 73 T CA 0.716 62.826 62.100 0.017 0.000 0.900 73 T CB 0.728 69.583 68.868 -0.021 0.000 1.084 73 T HN 0.713 nan 8.240 nan 0.000 0.538 74 K N 0.250 120.623 120.400 -0.046 0.000 2.569 74 K HA 0.650 4.930 4.320 -0.067 0.000 0.259 74 K C -2.293 174.220 176.600 -0.145 0.000 0.932 74 K CA -0.636 55.596 56.287 -0.092 0.000 0.833 74 K CB 1.972 34.433 32.500 -0.065 0.000 1.340 74 K HN 0.204 nan 8.250 nan 0.000 0.429 75 A N 3.410 126.100 122.820 -0.216 0.000 2.555 75 A HA 0.560 4.840 4.320 -0.067 0.000 0.297 75 A C -1.693 175.848 177.584 -0.071 0.000 1.060 75 A CA -1.009 50.907 52.037 -0.200 0.000 0.710 75 A CB 1.190 19.877 19.000 -0.521 0.000 1.282 75 A HN 0.836 nan 8.150 nan 0.000 0.399 76 R N 0.497 121.003 120.500 0.010 0.000 2.711 76 R HA 0.924 5.224 4.340 -0.067 0.000 0.284 76 R C -1.209 175.143 176.300 0.086 0.000 0.968 76 R CA -0.598 55.447 56.100 -0.092 0.000 0.924 76 R CB 1.341 31.591 30.300 -0.084 0.000 1.162 76 R HN 1.005 nan 8.270 nan 0.000 0.465 77 F N -1.906 118.120 119.950 0.127 0.000 2.641 77 F HA 0.600 5.086 4.527 -0.068 0.000 0.308 77 F C -3.001 172.866 175.800 0.112 0.000 1.105 77 F CA -3.377 54.707 58.000 0.141 0.000 0.964 77 F CB 1.064 40.196 39.000 0.219 0.000 1.294 77 F HN 0.338 nan 8.300 nan 0.000 0.442 78 P HA 0.095 nan 4.420 nan 0.000 0.271 78 P C -0.972 176.407 177.300 0.132 0.000 1.233 78 P CA -0.422 62.734 63.100 0.094 0.000 0.789 78 P CB 0.681 32.437 31.700 0.093 0.000 0.951 79 L N 3.251 124.463 121.223 -0.019 0.000 2.276 79 L HA 0.449 4.749 4.340 -0.067 0.000 0.286 79 L C -0.065 176.816 176.870 0.017 0.000 1.024 79 L CA -0.292 54.538 54.840 -0.017 0.000 0.826 79 L CB 0.117 42.016 42.059 -0.267 0.000 1.211 79 L HN 0.563 nan 8.230 nan 0.000 0.422 80 R N 2.955 123.492 120.500 0.061 0.000 3.212 80 R HA 0.661 4.960 4.340 -0.067 0.000 0.240 80 R C -0.963 175.363 176.300 0.044 0.000 1.470 80 R CA -0.601 55.530 56.100 0.052 0.000 1.041 80 R CB 0.677 31.011 30.300 0.056 0.000 1.494 80 R HN 0.418 nan 8.270 nan 0.000 0.502 81 D N -1.437 118.986 120.400 0.037 0.000 2.636 81 D HA 0.297 4.897 4.640 -0.067 0.000 0.270 81 D C 0.306 176.619 176.300 0.022 0.000 1.430 81 D CA -0.305 53.711 54.000 0.026 0.000 0.796 81 D CB 0.818 41.633 40.800 0.025 0.000 1.117 81 D HN 0.506 nan 8.370 nan 0.000 0.480 82 A N -0.067 122.768 122.820 0.026 0.000 3.280 82 A HA 0.786 5.066 4.320 -0.067 0.000 0.203 82 A C 0.442 178.036 177.584 0.016 0.000 2.143 82 A CA 0.510 52.559 52.037 0.021 0.000 1.168 82 A CB 0.325 19.340 19.000 0.025 0.000 1.267 82 A HN 0.400 nan 8.150 nan 0.000 0.436 87 D N -0.233 120.166 120.400 -0.002 0.000 4.667 87 D HA -0.222 4.378 4.640 -0.067 0.000 0.276 87 D C 0.208 176.374 176.300 -0.224 0.000 1.762 87 D CA 2.197 56.137 54.000 -0.100 0.000 1.326 87 D CB -0.586 40.148 40.800 -0.110 0.000 0.765 87 D HN 0.503 nan 8.370 nan 0.000 1.041 88 W N 2.050 123.244 121.300 -0.175 0.000 2.430 88 W HA 0.299 4.917 4.660 -0.069 0.000 0.380 88 W C 1.084 177.181 176.519 -0.703 0.000 1.045 88 W CA -0.014 57.062 57.345 -0.448 0.000 1.547 88 W CB 0.309 29.576 29.460 -0.321 0.000 1.554 88 W HN -0.045 nan 8.180 nan 0.000 0.378 89 T N 0.557 114.830 114.554 -0.469 0.000 2.937 89 T HA 0.909 5.218 4.350 -0.067 0.000 0.283 89 T C -0.518 174.046 174.700 -0.227 0.000 1.012 89 T CA -0.883 61.056 62.100 -0.269 0.000 0.997 89 T CB 2.006 70.800 68.868 -0.122 0.000 1.136 89 T HN 0.454 nan 8.240 nan 0.000 0.551 90 A N 1.538 124.429 122.820 0.118 0.000 2.500 90 A HA 0.678 4.957 4.320 -0.067 0.000 0.291 90 A C -0.196 177.510 177.584 0.203 0.000 1.048 90 A CA -0.427 51.772 52.037 0.271 0.000 0.791 90 A CB 0.883 20.388 19.000 0.841 0.000 1.309 90 A HN 1.538 nan 8.150 nan 0.000 0.397 91 T N -1.440 113.173 114.554 0.099 0.000 2.900 91 T HA 0.665 4.975 4.350 -0.067 0.000 0.303 91 T C -0.706 174.007 174.700 0.022 0.000 1.142 91 T CA -0.433 61.702 62.100 0.058 0.000 1.007 91 T CB 1.281 70.163 68.868 0.023 0.000 1.156 91 T HN 1.894 nan 8.240 nan 0.000 0.490 92 V N 3.318 123.234 119.914 0.005 0.000 2.427 92 V HA 0.439 4.519 4.120 -0.067 0.000 0.268 92 V C 0.860 176.932 176.094 -0.037 0.000 1.046 92 V CA 0.117 62.401 62.300 -0.026 0.000 0.970 92 V CB 0.654 32.465 31.823 -0.021 0.000 1.001 92 V HN 0.922 nan 8.190 nan 0.000 0.476 93 V N 5.701 125.568 119.914 -0.078 0.000 3.471 93 V HA 0.347 4.426 4.120 -0.067 0.000 0.258 93 V C 0.448 176.485 176.094 -0.096 0.000 1.192 93 V CA 1.523 63.773 62.300 -0.084 0.000 1.116 93 V CB -0.116 31.633 31.823 -0.122 0.000 0.792 93 V HN 1.080 nan 8.190 nan 0.000 0.459 94 D N -0.912 119.423 120.400 -0.109 0.000 2.804 94 D HA 0.265 4.864 4.640 -0.067 0.000 0.309 94 D C -1.688 174.562 176.300 -0.083 0.000 1.311 94 D CA -0.269 53.673 54.000 -0.096 0.000 0.765 94 D CB 1.125 41.843 40.800 -0.136 0.000 1.293 94 D HN 0.161 nan 8.370 nan 0.000 0.434 95 Q N 1.211 120.974 119.800 -0.062 0.000 2.825 95 Q HA 0.283 4.583 4.340 -0.067 0.000 0.219 95 Q C -2.298 173.686 176.000 -0.027 0.000 0.942 95 Q CA -0.559 55.222 55.803 -0.036 0.000 1.147 95 Q CB 0.872 29.618 28.738 0.012 0.000 1.723 95 Q HN 0.541 nan 8.270 nan 0.000 0.541 96 Q N 3.545 123.325 119.800 -0.032 0.000 2.426 96 Q HA 0.383 4.683 4.340 -0.067 0.000 0.278 96 Q C -0.630 175.361 176.000 -0.015 0.000 1.007 96 Q CA 0.535 56.325 55.803 -0.022 0.000 0.850 96 Q CB 2.114 30.836 28.738 -0.026 0.000 1.427 96 Q HN 0.765 nan 8.270 nan 0.000 0.391 97 D N 1.073 121.471 120.400 -0.003 0.000 4.493 97 D HA -0.267 4.332 4.640 -0.067 0.000 0.184 97 D C 0.049 176.365 176.300 0.026 0.000 0.799 97 D CA 2.871 56.877 54.000 0.010 0.000 1.795 97 D CB -1.388 39.418 40.800 0.010 0.000 1.062 97 D HN 0.754 nan 8.370 nan 0.000 0.445 98 C N -0.743 118.583 119.300 0.043 0.000 4.403 98 C HA 0.381 4.801 4.460 -0.067 0.000 0.408 98 C C 0.456 175.546 174.990 0.166 0.000 1.714 98 C CA 0.398 59.483 59.018 0.112 0.000 2.002 98 C CB -0.747 27.075 27.740 0.137 0.000 3.129 98 C HN 0.778 nan 8.230 nan 0.000 0.662 99 T N 0.066 114.616 114.554 -0.006 0.000 2.868 99 T HA 0.530 4.840 4.350 -0.067 0.000 0.292 99 T C -0.760 173.928 174.700 -0.019 0.000 1.028 99 T CA 0.048 62.043 62.100 -0.175 0.000 1.059 99 T CB 1.534 70.145 68.868 -0.429 0.000 0.991 99 T HN 0.247 nan 8.240 nan 0.000 0.531 100 L N 2.426 123.640 121.223 -0.015 0.000 2.563 100 L HA 0.441 4.740 4.340 -0.067 0.000 0.259 100 L C -0.107 176.730 176.870 -0.055 0.000 1.034 100 L CA -0.387 54.477 54.840 0.039 0.000 0.899 100 L CB 1.381 43.586 42.059 0.244 0.000 1.159 100 L HN 0.958 nan 8.230 nan 0.000 0.456 101 S N 4.638 120.245 115.700 -0.155 0.000 2.499 101 S HA 0.763 5.193 4.470 -0.067 0.000 0.275 101 S C -0.094 174.385 174.600 -0.201 0.000 1.257 101 S CA -0.678 57.377 58.200 -0.241 0.000 1.050 101 S CB 1.048 63.971 63.200 -0.462 0.000 0.937 101 S HN 0.462 nan 8.310 nan 0.000 0.490 102 L N 1.841 122.969 121.223 -0.158 0.000 2.391 102 L HA 0.650 4.950 4.340 -0.067 0.000 0.266 102 L C 0.260 177.039 176.870 -0.151 0.000 1.035 102 L CA -0.693 54.084 54.840 -0.105 0.000 0.877 102 L CB 0.207 42.267 42.059 0.001 0.000 1.504 102 L HN 0.793 nan 8.230 nan 0.000 0.503 103 Q N 0.661 120.384 119.800 -0.128 0.000 2.406 103 Q HA 0.442 4.742 4.340 -0.067 0.000 0.244 103 Q C -1.712 174.135 176.000 -0.254 0.000 0.884 103 Q CA -0.569 55.132 55.803 -0.170 0.000 0.813 103 Q CB 2.408 31.108 28.738 -0.062 0.000 1.368 103 Q HN 0.232 nan 8.270 nan 0.000 0.439 104 L N 1.197 122.091 121.223 -0.548 0.000 2.379 104 L HA 0.607 4.907 4.340 -0.067 0.000 0.269 104 L C 0.298 176.850 176.870 -0.530 0.000 1.084 104 L CA 0.117 54.616 54.840 -0.568 0.000 0.802 104 L CB 1.784 43.377 42.059 -0.776 0.000 1.175 104 L HN 0.417 nan 8.230 nan 0.000 0.448 105 T N 0.511 114.831 114.554 -0.390 0.000 2.881 105 T HA 0.592 4.901 4.350 -0.067 0.000 0.290 105 T C -0.379 174.019 174.700 -0.503 0.000 1.000 105 T CA -0.681 61.225 62.100 -0.323 0.000 0.978 105 T CB 1.420 70.142 68.868 -0.244 0.000 0.997 105 T HN 0.684 nan 8.240 nan 0.000 0.443 106 T N 2.787 117.035 114.554 -0.511 0.000 2.944 106 T HA 0.661 4.971 4.350 -0.067 0.000 0.284 106 T C -2.691 171.608 174.700 -0.668 0.000 1.010 106 T CA -2.236 59.304 62.100 -0.933 0.000 1.025 106 T CB 1.224 69.656 68.868 -0.727 0.000 1.079 106 T HN 0.174 nan 8.240 nan 0.000 0.516 107 P HA 0.392 nan 4.420 nan 0.000 0.274 107 P C -0.275 176.910 177.300 -0.192 0.000 1.256 107 P CA -0.590 62.297 63.100 -0.355 0.000 0.795 107 P CB 0.300 31.855 31.700 -0.242 0.000 1.038 108 A N 1.640 124.406 122.820 -0.088 0.000 2.532 108 A HA 0.108 4.388 4.320 -0.067 0.000 0.273 108 A C 0.594 178.202 177.584 0.039 0.000 1.342 108 A CA 0.149 52.175 52.037 -0.018 0.000 0.929 108 A CB -1.215 17.779 19.000 -0.011 0.000 1.051 108 A HN 0.655 nan 8.150 nan 0.000 0.521 109 N N -1.455 117.266 118.700 0.035 0.000 2.073 109 N HA 0.142 4.842 4.740 -0.067 0.000 0.227 109 N C 0.012 175.590 175.510 0.114 0.000 1.367 109 N CA 0.467 53.573 53.050 0.094 0.000 0.775 109 N CB -0.583 37.960 38.487 0.093 0.000 1.234 109 N HN 0.171 nan 8.380 nan 0.000 0.512 110 A N 1.761 124.631 122.820 0.084 0.000 2.511 110 A HA 0.462 4.741 4.320 -0.067 0.000 0.242 110 A C -2.334 175.372 177.584 0.203 0.000 1.069 110 A CA -0.550 51.611 52.037 0.207 0.000 0.763 110 A CB -0.294 18.773 19.000 0.112 0.000 1.001 110 A HN 0.137 nan 8.150 nan 0.000 0.498 111 P HA 0.184 nan 4.420 nan 0.000 0.269 111 P C -0.197 177.252 177.300 0.249 0.000 1.209 111 P CA 0.086 63.319 63.100 0.221 0.000 0.776 111 P CB 0.410 32.251 31.700 0.234 0.000 0.876 112 I N -0.635 119.968 120.570 0.054 0.000 2.499 112 I HA 0.853 4.982 4.170 -0.067 0.000 0.296 112 I C 0.600 176.817 176.117 0.166 0.000 0.992 112 I CA -0.282 61.050 61.300 0.053 0.000 1.297 112 I CB 1.036 38.890 38.000 -0.244 0.000 1.410 112 I HN 0.548 nan 8.210 nan 0.000 0.507 113 G N 4.461 113.399 108.800 0.229 0.000 2.350 113 G HA2 0.158 4.077 3.960 -0.067 0.000 0.276 113 G HA3 0.158 4.077 3.960 -0.067 0.000 0.276 113 G C -1.898 173.110 174.900 0.180 0.000 1.313 113 G CA -1.017 44.171 45.100 0.146 0.000 0.903 113 G HN 0.738 nan 8.290 nan 0.000 0.490 114 L N 0.500 121.743 121.223 0.033 0.000 2.292 114 L HA 0.685 4.984 4.340 -0.067 0.000 0.284 114 L C -0.867 175.923 176.870 -0.135 0.000 1.065 114 L CA -0.783 54.051 54.840 -0.010 0.000 0.806 114 L CB 0.734 42.757 42.059 -0.061 0.000 1.175 114 L HN 0.574 nan 8.230 nan 0.000 0.431 115 Y N 3.640 123.696 120.300 -0.407 0.000 2.468 115 Y HA 0.454 4.964 4.550 -0.067 0.000 0.342 115 Y C 0.003 175.689 175.900 -0.356 0.000 1.021 115 Y CA -0.728 57.066 58.100 -0.509 0.000 1.079 115 Y CB 1.593 39.432 38.460 -1.035 0.000 1.226 115 Y HN 0.446 nan 8.280 nan 0.000 0.460 116 R N 3.288 123.777 120.500 -0.020 0.000 2.265 116 R HA 0.446 4.745 4.340 -0.067 0.000 0.328 116 R C -1.713 174.579 176.300 -0.014 0.000 0.969 116 R CA -0.898 55.191 56.100 -0.018 0.000 0.832 116 R CB 0.581 30.911 30.300 0.051 0.000 1.139 116 R HN 0.688 nan 8.270 nan 0.000 0.457 117 L N 3.982 125.191 121.223 -0.023 0.000 2.261 117 L HA 0.321 4.621 4.340 -0.067 0.000 0.289 117 L C -0.982 175.925 176.870 0.062 0.000 1.059 117 L CA 0.353 55.261 54.840 0.114 0.000 0.816 117 L CB 1.399 43.594 42.059 0.226 0.000 1.191 117 L HN 0.545 nan 8.230 nan 0.000 0.431 118 S N 5.487 121.241 115.700 0.091 0.000 2.593 118 S HA 0.660 5.090 4.470 -0.067 0.000 0.297 118 S C -0.718 174.014 174.600 0.220 0.000 1.112 118 S CA -0.693 57.581 58.200 0.123 0.000 1.043 118 S CB 1.792 65.034 63.200 0.072 0.000 1.054 118 S HN 0.647 nan 8.310 nan 0.000 0.516 119 L N 1.955 123.344 121.223 0.276 0.000 2.381 119 L HA 0.467 4.767 4.340 -0.067 0.000 0.274 119 L C -1.031 175.877 176.870 0.063 0.000 0.988 119 L CA -0.468 54.549 54.840 0.296 0.000 0.824 119 L CB 1.319 43.656 42.059 0.463 0.000 1.263 119 L HN 0.582 nan 8.230 nan 0.000 0.410 120 E N 4.868 125.031 120.200 -0.062 0.000 2.035 120 E HA 0.378 4.688 4.350 -0.067 0.000 0.271 120 E C -0.621 175.886 176.600 -0.156 0.000 0.953 120 E CA -0.331 55.991 56.400 -0.131 0.000 0.777 120 E CB 1.842 31.467 29.700 -0.124 0.000 1.104 120 E HN 0.571 nan 8.360 nan 0.000 0.408 121 A N 2.255 124.964 122.820 -0.185 0.000 2.260 121 A HA 0.475 4.754 4.320 -0.067 0.000 0.314 121 A C -0.026 177.481 177.584 -0.130 0.000 1.257 121 A CA -0.632 51.325 52.037 -0.133 0.000 0.871 121 A CB 0.676 19.608 19.000 -0.114 0.000 1.166 121 A HN 0.352 nan 8.150 nan 0.000 0.522 122 S N 1.854 117.495 115.700 -0.098 0.000 2.252 122 S HA 0.148 4.577 4.470 -0.067 0.000 0.187 122 S C 0.641 175.165 174.600 -0.128 0.000 1.587 122 S CA -0.129 58.006 58.200 -0.109 0.000 1.215 122 S CB 0.790 63.941 63.200 -0.082 0.000 1.085 122 S HN 0.817 nan 8.310 nan 0.000 0.466 123 T N 1.896 116.356 114.554 -0.156 0.000 3.584 123 T HA 0.351 4.661 4.350 -0.067 0.000 0.252 123 T C 1.241 175.763 174.700 -0.297 0.000 1.103 123 T CA 1.188 63.178 62.100 -0.182 0.000 0.977 123 T CB -0.726 68.049 68.868 -0.154 0.000 1.044 123 T HN 0.854 nan 8.240 nan 0.000 0.589 124 G N 0.552 109.157 108.800 -0.325 0.000 3.400 124 G HA2 -0.035 3.885 3.960 -0.067 0.000 0.111 124 G HA3 -0.035 3.885 3.960 -0.067 0.000 0.111 124 G C 0.293 175.000 174.900 -0.322 0.000 2.370 124 G CA 0.214 45.038 45.100 -0.460 0.000 1.153 124 G HN 0.541 nan 8.290 nan 0.000 0.329 125 Y N 0.140 120.420 120.300 -0.033 0.000 2.472 125 Y HA 0.449 4.962 4.550 -0.060 0.000 0.283 125 Y C 2.153 178.032 175.900 -0.033 0.000 1.038 125 Y CA 0.635 58.716 58.100 -0.031 0.000 1.126 125 Y CB -0.126 38.318 38.460 -0.026 0.000 1.374 125 Y HN 0.371 nan 8.280 nan 0.000 0.576 126 Q N 2.145 121.908 119.800 -0.062 0.000 2.178 126 Q HA 0.548 4.848 4.340 -0.067 0.000 0.197 126 Q C 1.479 177.430 176.000 -0.083 0.000 0.998 126 Q CA 0.515 56.314 55.803 -0.007 0.000 0.845 126 Q CB -0.760 27.986 28.738 0.014 0.000 0.943 126 Q HN 0.427 nan 8.270 nan 0.000 0.514 127 G N 0.454 109.179 108.800 -0.125 0.000 2.806 127 G HA2 -0.105 3.814 3.960 -0.067 0.000 0.236 127 G HA3 -0.105 3.814 3.960 -0.067 0.000 0.236 127 G C -0.418 174.396 174.900 -0.143 0.000 1.387 127 G CA -0.014 45.009 45.100 -0.129 0.000 0.884 127 G HN 0.967 nan 8.290 nan 0.000 0.560 128 S N -1.202 114.359 115.700 -0.232 0.000 2.547 128 S HA 0.781 5.211 4.470 -0.067 0.000 0.281 128 S C -0.562 173.616 174.600 -0.704 0.000 1.118 128 S CA -0.126 57.838 58.200 -0.394 0.000 0.947 128 S CB 2.251 65.230 63.200 -0.368 0.000 1.053 128 S HN 1.351 nan 8.310 nan 0.000 0.482 129 S N 2.858 118.219 115.700 -0.566 0.000 2.498 129 S HA 0.851 5.281 4.470 -0.067 0.000 0.317 129 S C -0.599 173.811 174.600 -0.317 0.000 1.090 129 S CA -0.813 57.109 58.200 -0.462 0.000 1.089 129 S CB -0.085 63.000 63.200 -0.192 0.000 0.997 129 S HN 0.761 nan 8.310 nan 0.000 0.470 130 F N -0.389 119.572 119.950 0.018 0.000 2.779 130 F HA 0.722 5.205 4.527 -0.074 0.000 0.316 130 F C -0.349 175.458 175.800 0.011 0.000 1.164 130 F CA -1.869 56.138 58.000 0.013 0.000 0.924 130 F CB 0.680 39.688 39.000 0.013 0.000 1.348 130 F HN 0.367 nan 8.300 nan 0.000 0.467 131 V N 0.573 120.632 119.914 0.242 0.000 2.881 131 V HA 0.333 4.413 4.120 -0.067 0.000 0.303 131 V C -0.146 175.932 176.094 -0.026 0.000 1.070 131 V CA -0.343 61.996 62.300 0.066 0.000 1.074 131 V CB 1.327 33.130 31.823 -0.034 0.000 1.012 131 V HN 0.952 nan 8.190 nan 0.000 0.482 132 L N 2.530 123.731 121.223 -0.037 0.000 2.609 132 L HA 0.689 4.988 4.340 -0.067 0.000 0.230 132 L C 1.125 177.947 176.870 -0.079 0.000 1.064 132 L CA 0.780 55.584 54.840 -0.059 0.000 0.873 132 L CB 0.450 42.518 42.059 0.015 0.000 1.139 132 L HN 1.139 nan 8.230 nan 0.000 0.490 133 G N -1.446 107.271 108.800 -0.138 0.000 2.352 133 G HA2 0.164 4.083 3.960 -0.067 0.000 0.283 133 G HA3 0.164 4.083 3.960 -0.067 0.000 0.283 133 G C -1.728 172.973 174.900 -0.331 0.000 1.308 133 G CA -0.811 44.189 45.100 -0.168 0.000 0.892 133 G HN -0.041 nan 8.290 nan 0.000 0.504 134 H N -0.994 118.113 119.070 0.063 0.000 2.797 134 H HA 0.773 5.289 4.556 -0.066 0.000 0.372 134 H C -0.938 174.446 175.328 0.095 0.000 1.168 134 H CA -0.069 55.985 56.048 0.009 0.000 1.163 134 H CB 2.174 31.920 29.762 -0.027 0.000 1.778 134 H HN 0.828 nan 8.280 nan 0.000 0.551 135 F N -0.642 119.423 119.950 0.192 0.000 2.654 135 F HA 0.593 5.080 4.527 -0.068 0.000 0.308 135 F C -1.762 174.094 175.800 0.094 0.000 1.108 135 F CA -1.207 56.827 58.000 0.056 0.000 0.957 135 F CB 0.894 39.844 39.000 -0.083 0.000 1.309 135 F HN 0.268 nan 8.300 nan 0.000 0.446 136 I N 3.514 124.272 120.570 0.312 0.000 2.339 136 I HA 0.377 4.507 4.170 -0.067 0.000 0.290 136 I C -1.206 175.074 176.117 0.272 0.000 0.994 136 I CA -0.921 60.527 61.300 0.246 0.000 1.191 136 I CB 1.723 39.801 38.000 0.130 0.000 1.343 136 I HN 0.546 nan 8.210 nan 0.000 0.458 137 L N 8.189 129.602 121.223 0.318 0.000 2.272 137 L HA 0.554 4.853 4.340 -0.067 0.000 0.289 137 L C -0.671 176.253 176.870 0.090 0.000 1.032 137 L CA 0.023 54.967 54.840 0.174 0.000 0.810 137 L CB 0.884 43.050 42.059 0.177 0.000 1.205 137 L HN 0.440 nan 8.230 nan 0.000 0.422 138 L N 3.544 124.802 121.223 0.059 0.000 2.304 138 L HA 0.519 4.819 4.340 -0.067 0.000 0.268 138 L C -0.571 176.335 176.870 0.060 0.000 1.010 138 L CA -0.937 53.939 54.840 0.060 0.000 0.813 138 L CB 1.145 43.303 42.059 0.166 0.000 1.315 138 L HN 0.292 nan 8.230 nan 0.000 0.445 139 F N 1.017 121.071 119.950 0.172 0.000 2.578 139 F HA 0.042 4.529 4.527 -0.067 0.000 0.376 139 F C 0.833 176.753 175.800 0.199 0.000 1.085 139 F CA 0.284 58.381 58.000 0.162 0.000 1.260 139 F CB 0.021 39.105 39.000 0.141 0.000 1.095 139 F HN 0.364 nan 8.300 nan 0.000 0.573 140 N N 2.344 121.272 118.700 0.380 0.000 2.437 140 N HA 0.371 5.071 4.740 -0.067 0.000 0.259 140 N C 0.138 175.845 175.510 0.329 0.000 0.983 140 N CA -0.091 53.186 53.050 0.379 0.000 0.937 140 N CB 1.624 40.281 38.487 0.284 0.000 1.122 140 N HN 0.675 nan 8.380 nan 0.000 0.499 141 A N 3.875 126.835 122.820 0.233 0.000 2.238 141 A HA 0.096 4.375 4.320 -0.067 0.000 0.210 141 A C 1.112 178.594 177.584 -0.171 0.000 1.179 141 A CA -0.038 51.938 52.037 -0.103 0.000 0.827 141 A CB -0.208 18.510 19.000 -0.471 0.000 0.856 141 A HN 0.779 nan 8.150 nan 0.000 0.488 142 W N -1.778 119.577 121.300 0.091 0.000 3.211 142 W HA 0.201 4.821 4.660 -0.066 0.000 0.292 142 W C 0.376 177.038 176.519 0.237 0.000 1.268 142 W CA -0.570 56.843 57.345 0.114 0.000 1.702 142 W CB -0.165 29.263 29.460 -0.054 0.000 1.092 142 W HN 0.261 nan 8.180 nan 0.000 0.643 143 C N 2.996 122.528 119.300 0.386 0.000 2.265 143 C HA 0.263 4.682 4.460 -0.067 0.000 0.332 143 C C -0.779 174.165 174.990 -0.076 0.000 1.248 143 C CA -1.977 57.125 59.018 0.140 0.000 1.727 143 C CB 0.417 28.218 27.740 0.102 0.000 2.348 143 C HN -0.080 nan 8.230 nan 0.000 0.519 144 P HA -0.085 nan 4.420 nan 0.000 0.219 144 P C 1.172 178.226 177.300 -0.411 0.000 1.146 144 P CA 1.652 64.084 63.100 -1.114 0.000 0.808 144 P CB 0.157 31.348 31.700 -0.848 0.000 0.779 145 A N -1.476 121.224 122.820 -0.201 0.000 2.123 145 A HA -0.041 4.239 4.320 -0.067 0.000 0.214 145 A C 1.266 178.842 177.584 -0.013 0.000 1.152 145 A CA 0.400 52.383 52.037 -0.090 0.000 0.728 145 A CB -0.753 18.205 19.000 -0.070 0.000 0.814 145 A HN 0.088 nan 8.150 nan 0.000 0.464 146 D N -0.545 119.876 120.400 0.036 0.000 2.339 146 D HA 0.425 5.025 4.640 -0.067 0.000 0.245 146 D C 1.118 177.490 176.300 0.119 0.000 1.115 146 D CA 0.559 54.629 54.000 0.118 0.000 0.917 146 D CB 1.475 42.389 40.800 0.190 0.000 1.192 146 D HN 0.068 nan 8.370 nan 0.000 0.428 147 A N 2.241 125.130 122.820 0.115 0.000 2.209 147 A HA -0.022 4.258 4.320 -0.067 0.000 0.212 147 A C 1.584 179.156 177.584 -0.019 0.000 1.158 147 A CA 1.032 53.092 52.037 0.039 0.000 0.742 147 A CB -0.268 18.753 19.000 0.035 0.000 0.790 147 A HN 0.455 nan 8.150 nan 0.000 0.472 148 V N -4.759 115.189 119.914 0.057 0.000 3.427 148 V HA 0.288 4.367 4.120 -0.067 0.000 0.305 148 V C 0.572 176.773 176.094 0.178 0.000 1.412 148 V CA -0.830 61.493 62.300 0.039 0.000 1.086 148 V CB -1.615 30.204 31.823 -0.006 0.000 0.964 148 V HN 0.322 nan 8.190 nan 0.000 0.439 149 Y N 1.827 122.165 120.300 0.063 0.000 2.903 149 Y HA 0.330 4.839 4.550 -0.067 0.000 0.338 149 Y C -0.159 175.832 175.900 0.152 0.000 1.265 149 Y CA 0.038 58.174 58.100 0.060 0.000 1.532 149 Y CB 0.268 38.755 38.460 0.046 0.000 1.293 149 Y HN 0.310 nan 8.280 nan 0.000 0.609 150 L N 6.382 127.081 121.223 -0.875 0.000 2.409 150 L HA 0.208 4.508 4.340 -0.067 0.000 0.272 150 L C 0.308 176.475 176.870 -1.172 0.000 0.980 150 L CA -0.612 53.715 54.840 -0.854 0.000 0.826 150 L CB 2.029 43.645 42.059 -0.737 0.000 1.268 150 L HN 0.825 nan 8.230 nan 0.000 0.407 151 D N 0.245 120.168 120.400 -0.795 0.000 2.085 151 D HA -0.125 4.475 4.640 -0.067 0.000 0.199 151 D C 0.998 177.119 176.300 -0.298 0.000 0.981 151 D CA 0.363 54.092 54.000 -0.451 0.000 0.834 151 D CB 0.048 40.748 40.800 -0.167 0.000 0.992 151 D HN 0.277 nan 8.370 nan 0.000 0.457 152 S N 0.051 115.582 115.700 -0.282 0.000 2.515 152 S HA 0.021 4.451 4.470 -0.067 0.000 0.285 152 S C 1.003 175.469 174.600 -0.222 0.000 1.265 152 S CA -0.392 57.686 58.200 -0.203 0.000 1.079 152 S CB 0.705 63.795 63.200 -0.183 0.000 0.877 152 S HN 0.273 nan 8.310 nan 0.000 0.493 153 E N 4.566 124.689 120.200 -0.129 0.000 2.058 153 E HA -0.235 4.075 4.350 -0.067 0.000 0.194 153 E C 1.748 178.289 176.600 -0.099 0.000 0.997 153 E CA 2.433 58.785 56.400 -0.081 0.000 0.801 153 E CB -0.259 29.456 29.700 0.025 0.000 0.746 153 E HN 0.930 nan 8.360 nan 0.000 0.450 154 E N 0.247 120.389 120.200 -0.097 0.000 2.153 154 E HA -0.217 4.093 4.350 -0.067 0.000 0.194 154 E C 2.008 178.481 176.600 -0.212 0.000 0.988 154 E CA 1.307 57.636 56.400 -0.118 0.000 0.811 154 E CB -0.362 29.277 29.700 -0.101 0.000 0.746 154 E HN 0.414 nan 8.360 nan 0.000 0.466 155 E N 0.962 121.019 120.200 -0.239 0.000 2.106 155 E HA -0.113 4.196 4.350 -0.067 0.000 0.192 155 E C 2.221 178.642 176.600 -0.298 0.000 0.984 155 E CA 0.649 56.870 56.400 -0.299 0.000 0.806 155 E CB -0.051 29.538 29.700 -0.185 0.000 0.750 155 E HN 0.264 nan 8.360 nan 0.000 0.458 156 R N 0.555 120.852 120.500 -0.339 0.000 2.081 156 R HA -0.166 4.134 4.340 -0.067 0.000 0.235 156 R C 2.368 178.519 176.300 -0.248 0.000 1.131 156 R CA 1.231 57.053 56.100 -0.463 0.000 0.960 156 R CB -0.161 29.642 30.300 -0.828 0.000 0.856 156 R HN 0.051 nan 8.270 nan 0.000 0.436 157 Q N 0.772 120.495 119.800 -0.128 0.000 1.993 157 Q HA -0.209 4.090 4.340 -0.067 0.000 0.202 157 Q C 1.931 177.865 176.000 -0.109 0.000 0.984 157 Q CA 1.860 57.655 55.803 -0.012 0.000 0.837 157 Q CB -0.138 28.599 28.738 -0.001 0.000 0.902 157 Q HN 0.118 nan 8.270 nan 0.000 0.423 158 E N -0.840 119.193 120.200 -0.278 0.000 2.049 158 E HA -0.204 4.106 4.350 -0.067 0.000 0.198 158 E C 1.363 177.746 176.600 -0.361 0.000 1.007 158 E CA 1.694 57.845 56.400 -0.416 0.000 0.809 158 E CB -0.369 28.890 29.700 -0.736 0.000 0.749 158 E HN 0.520 nan 8.360 nan 0.000 0.450 159 Y N -1.167 119.075 120.300 -0.096 0.000 2.546 159 Y HA 0.167 4.677 4.550 -0.067 0.000 0.287 159 Y C 1.740 177.583 175.900 -0.096 0.000 1.158 159 Y CA 0.234 58.281 58.100 -0.089 0.000 1.307 159 Y CB 0.365 38.811 38.460 -0.023 0.000 1.036 159 Y HN -0.030 nan 8.280 nan 0.000 0.532 160 V N -1.918 118.019 119.914 0.037 0.000 3.103 160 V HA 0.002 4.081 4.120 -0.067 0.000 0.229 160 V C 1.675 177.858 176.094 0.148 0.000 1.304 160 V CA 0.381 62.735 62.300 0.090 0.000 1.298 160 V CB 0.050 31.928 31.823 0.091 0.000 1.093 160 V HN 0.122 nan 8.190 nan 0.000 0.489 161 L N -0.113 121.233 121.223 0.205 0.000 2.249 161 L HA 0.114 4.414 4.340 -0.067 0.000 0.207 161 L C 1.004 177.910 176.870 0.061 0.000 1.090 161 L CA 0.652 55.668 54.840 0.293 0.000 0.802 161 L CB -0.352 41.952 42.059 0.409 0.000 0.947 161 L HN 0.257 nan 8.230 nan 0.000 0.453 162 T N 1.092 115.642 114.554 -0.008 0.000 2.871 162 T HA -0.035 4.275 4.350 -0.067 0.000 0.296 162 T C 1.042 175.709 174.700 -0.054 0.000 0.998 162 T CA 0.312 62.390 62.100 -0.035 0.000 1.162 162 T CB 0.961 69.785 68.868 -0.073 0.000 0.947 162 T HN 0.277 nan 8.240 nan 0.000 0.536 163 Q N 1.224 121.020 119.800 -0.008 0.000 2.391 163 Q HA 0.062 4.362 4.340 -0.067 0.000 0.211 163 Q C 0.574 176.677 176.000 0.171 0.000 0.908 163 Q CA 0.337 56.160 55.803 0.033 0.000 0.920 163 Q CB 0.424 29.154 28.738 -0.013 0.000 1.056 163 Q HN 0.608 nan 8.270 nan 0.000 0.523 164 Q N -0.120 119.738 119.800 0.097 0.000 2.195 164 Q HA 0.705 5.005 4.340 -0.067 0.000 0.250 164 Q C 0.113 176.121 176.000 0.012 0.000 0.988 164 Q CA -0.372 55.432 55.803 0.002 0.000 0.911 164 Q CB 1.844 30.533 28.738 -0.082 0.000 1.258 164 Q HN 0.152 nan 8.270 nan 0.000 0.475 165 G N -0.505 108.183 108.800 -0.188 0.000 2.340 165 G HA2 0.544 4.464 3.960 -0.067 0.000 0.299 165 G HA3 0.544 4.464 3.960 -0.067 0.000 0.299 165 G C -1.817 172.882 174.900 -0.335 0.000 1.291 165 G CA -0.820 44.151 45.100 -0.216 0.000 0.841 165 G HN 0.328 nan 8.290 nan 0.000 0.500 166 F N -0.402 119.486 119.950 -0.103 0.000 2.561 166 F HA 0.742 5.229 4.527 -0.067 0.000 0.321 166 F C 0.127 175.723 175.800 -0.340 0.000 1.065 166 F CA -1.011 56.786 58.000 -0.337 0.000 0.934 166 F CB 2.638 41.331 39.000 -0.511 0.000 1.215 166 F HN 0.097 nan 8.300 nan 0.000 0.471 167 I N 2.312 122.707 120.570 -0.292 0.000 2.478 167 I HA 0.237 4.366 4.170 -0.067 0.000 0.287 167 I C -1.348 174.400 176.117 -0.616 0.000 1.042 167 I CA -0.806 60.298 61.300 -0.326 0.000 1.067 167 I CB 1.887 39.734 38.000 -0.255 0.000 1.233 167 I HN 0.456 nan 8.210 nan 0.000 0.431 168 Y N 5.727 125.855 120.300 -0.286 0.000 2.365 168 Y HA 0.334 4.843 4.550 -0.067 0.000 0.340 168 Y C 0.644 176.160 175.900 -0.639 0.000 1.016 168 Y CA -0.038 57.849 58.100 -0.356 0.000 1.196 168 Y CB 0.754 39.092 38.460 -0.202 0.000 1.167 168 Y HN 0.537 nan 8.280 nan 0.000 0.509 169 Q N 1.265 120.686 119.800 -0.631 0.000 3.375 169 Q HA 0.706 5.005 4.340 -0.067 0.000 0.295 169 Q C 0.584 176.233 176.000 -0.587 0.000 0.996 169 Q CA -0.601 54.546 55.803 -1.092 0.000 0.801 169 Q CB 1.525 29.707 28.738 -0.925 0.000 2.066 169 Q HN 0.792 nan 8.270 nan 0.000 0.424 170 G N 1.127 109.656 108.800 -0.452 0.000 2.514 170 G HA2 -0.265 3.655 3.960 -0.067 0.000 0.265 170 G HA3 -0.265 3.655 3.960 -0.067 0.000 0.265 170 G C -0.272 174.724 174.900 0.161 0.000 1.150 170 G CA 0.075 44.990 45.100 -0.309 0.000 0.959 170 G HN 0.645 nan 8.290 nan 0.000 0.556 171 S N -1.065 114.717 115.700 0.136 0.000 2.632 171 S HA 0.757 5.187 4.470 -0.067 0.000 0.289 171 S C 1.268 175.785 174.600 -0.138 0.000 1.115 171 S CA 0.694 59.020 58.200 0.210 0.000 0.889 171 S CB 1.453 64.785 63.200 0.220 0.000 1.116 171 S HN 2.125 nan 8.310 nan 0.000 0.486 172 A N 2.206 124.921 122.820 -0.174 0.000 1.969 172 A HA 0.055 4.335 4.320 -0.067 0.000 0.218 172 A C 1.745 179.176 177.584 -0.255 0.000 1.169 172 A CA 1.058 52.801 52.037 -0.490 0.000 0.635 172 A CB -0.359 18.535 19.000 -0.177 0.000 0.810 172 A HN 0.692 nan 8.150 nan 0.000 0.445 173 K N -2.141 118.221 120.400 -0.064 0.000 2.418 173 K HA 0.131 4.411 4.320 -0.067 0.000 0.195 173 K C -0.591 176.068 176.600 0.098 0.000 1.035 173 K CA 0.405 56.697 56.287 0.010 0.000 1.003 173 K CB -0.050 32.485 32.500 0.058 0.000 0.793 173 K HN 0.461 nan 8.250 nan 0.000 0.494 174 F N 1.090 120.958 119.950 -0.137 0.000 3.065 174 F HA 0.316 4.803 4.527 -0.067 0.000 0.383 174 F C -0.588 175.087 175.800 -0.208 0.000 1.259 174 F CA -0.880 57.047 58.000 -0.123 0.000 1.217 174 F CB 0.348 39.332 39.000 -0.028 0.000 2.042 174 F HN -0.240 nan 8.300 nan 0.000 0.641 175 I N 3.958 124.298 120.570 -0.384 0.000 2.752 175 I HA 0.080 4.209 4.170 -0.067 0.000 0.287 175 I C 0.269 176.129 176.117 -0.428 0.000 1.188 175 I CA 0.309 61.383 61.300 -0.375 0.000 1.427 175 I CB 0.454 38.249 38.000 -0.341 0.000 1.365 175 I HN 0.262 nan 8.210 nan 0.000 0.585 176 K N 5.858 126.038 120.400 -0.367 0.000 2.397 176 K HA 0.278 4.558 4.320 -0.067 0.000 0.253 176 K C -1.046 175.312 176.600 -0.402 0.000 0.932 176 K CA -0.695 55.330 56.287 -0.437 0.000 0.795 176 K CB 1.745 33.858 32.500 -0.644 0.000 1.159 176 K HN 0.659 nan 8.250 nan 0.000 0.424 177 N N 4.135 122.555 118.700 -0.467 0.000 2.485 177 N HA 0.168 4.868 4.740 -0.067 0.000 0.243 177 N C -0.570 174.555 175.510 -0.641 0.000 0.987 177 N CA -0.482 52.094 53.050 -0.789 0.000 0.940 177 N CB 0.659 38.512 38.487 -1.057 0.000 1.122 177 N HN 0.238 nan 8.380 nan 0.000 0.509 178 I N 3.786 124.049 120.570 -0.512 0.000 2.371 178 I HA 0.288 4.418 4.170 -0.067 0.000 0.290 178 I C -1.842 174.208 176.117 -0.112 0.000 1.028 178 I CA -2.352 58.792 61.300 -0.260 0.000 1.345 178 I CB 1.184 39.050 38.000 -0.223 0.000 1.407 178 I HN 0.420 nan 8.210 nan 0.000 0.501 179 P HA 0.043 nan 4.420 nan 0.000 0.275 179 P C -1.107 176.224 177.300 0.051 0.000 1.228 179 P CA -0.391 62.736 63.100 0.046 0.000 0.786 179 P CB 0.956 32.659 31.700 0.005 0.000 0.927 180 W N 3.525 124.656 121.300 -0.282 0.000 3.129 180 W HA 0.239 4.858 4.660 -0.068 0.000 0.333 180 W C -1.483 174.712 176.519 -0.540 0.000 1.141 180 W CA -0.561 56.532 57.345 -0.421 0.000 1.224 180 W CB 2.083 31.174 29.460 -0.614 0.000 1.393 180 W HN 0.283 nan 8.180 nan 0.000 0.499 181 N N 3.712 122.024 118.700 -0.647 0.000 2.500 181 N HA 0.215 4.915 4.740 -0.067 0.000 0.236 181 N C 0.297 175.694 175.510 -0.188 0.000 1.022 181 N CA -0.122 52.718 53.050 -0.349 0.000 0.935 181 N CB 0.150 38.462 38.487 -0.292 0.000 1.147 181 N HN 0.177 nan 8.380 nan 0.000 0.512 182 F N 2.004 122.060 119.950 0.177 0.000 2.325 182 F HA 0.212 4.698 4.527 -0.067 0.000 0.299 182 F C 2.151 177.969 175.800 0.031 0.000 1.090 182 F CA 0.696 58.805 58.000 0.181 0.000 1.392 182 F CB -0.604 38.439 39.000 0.072 0.000 1.053 182 F HN 0.641 nan 8.300 nan 0.000 0.521 183 G N 1.492 110.368 108.800 0.127 0.000 2.473 183 G HA2 -0.375 3.545 3.960 -0.067 0.000 0.307 183 G HA3 -0.375 3.545 3.960 -0.067 0.000 0.307 183 G C 1.363 176.271 174.900 0.014 0.000 0.937 183 G CA 0.807 45.925 45.100 0.030 0.000 0.947 183 G HN 0.515 nan 8.290 nan 0.000 0.513 184 Q N -1.035 118.721 119.800 -0.073 0.000 2.443 184 Q HA -0.089 4.210 4.340 -0.067 0.000 0.213 184 Q C 1.258 177.315 176.000 0.096 0.000 0.982 184 Q CA 1.294 57.048 55.803 -0.081 0.000 0.894 184 Q CB -0.277 28.323 28.738 -0.230 0.000 0.947 184 Q HN 0.589 nan 8.270 nan 0.000 0.480 185 F N 0.876 120.863 119.950 0.061 0.000 2.639 185 F HA 0.411 4.899 4.527 -0.066 0.000 0.302 185 F C 0.429 176.238 175.800 0.014 0.000 1.097 185 F CA -1.525 56.498 58.000 0.039 0.000 1.294 185 F CB -0.050 38.966 39.000 0.026 0.000 1.027 185 F HN 0.037 nan 8.300 nan 0.000 0.550 186 E N 1.264 121.564 120.200 0.167 0.000 2.373 186 E HA -0.014 4.296 4.350 -0.067 0.000 0.267 186 E C 0.058 176.721 176.600 0.105 0.000 1.032 186 E CA -0.339 56.119 56.400 0.097 0.000 0.889 186 E CB 0.502 30.234 29.700 0.054 0.000 0.984 186 E HN -0.033 nan 8.360 nan 0.000 0.425 187 D N 2.823 123.277 120.400 0.091 0.000 2.730 187 D HA -0.125 4.475 4.640 -0.067 0.000 0.225 187 D C 0.984 177.326 176.300 0.071 0.000 1.107 187 D CA 1.830 55.878 54.000 0.080 0.000 0.837 187 D CB 0.477 41.318 40.800 0.068 0.000 1.171 187 D HN 0.716 nan 8.370 nan 0.000 0.498 188 G N 4.274 113.116 108.800 0.070 0.000 2.396 188 G HA2 -0.334 3.586 3.960 -0.067 0.000 0.242 188 G HA3 -0.334 3.586 3.960 -0.067 0.000 0.242 188 G C 1.465 176.412 174.900 0.079 0.000 1.069 188 G CA 0.287 45.426 45.100 0.065 0.000 0.633 188 G HN 0.547 nan 8.290 nan 0.000 0.517 189 I N 1.163 121.787 120.570 0.090 0.000 2.236 189 I HA -0.153 3.976 4.170 -0.067 0.000 0.249 189 I C 2.756 178.937 176.117 0.107 0.000 1.102 189 I CA 1.991 63.350 61.300 0.098 0.000 1.365 189 I CB -1.072 36.991 38.000 0.104 0.000 1.051 189 I HN 0.485 nan 8.210 nan 0.000 0.420 190 L N 0.495 121.789 121.223 0.119 0.000 1.976 190 L HA -0.257 4.043 4.340 -0.067 0.000 0.209 190 L C 2.281 179.206 176.870 0.092 0.000 1.071 190 L CA 1.840 56.752 54.840 0.119 0.000 0.746 190 L CB -0.512 41.618 42.059 0.118 0.000 0.890 190 L HN 0.286 nan 8.230 nan 0.000 0.432 191 D N 0.105 120.551 120.400 0.076 0.000 2.172 191 D HA -0.261 4.338 4.640 -0.067 0.000 0.196 191 D C 2.146 178.491 176.300 0.076 0.000 0.999 191 D CA 1.843 55.879 54.000 0.059 0.000 0.856 191 D CB -0.150 40.675 40.800 0.043 0.000 0.934 191 D HN 0.478 nan 8.370 nan 0.000 0.453 192 I N 0.736 121.367 120.570 0.101 0.000 2.493 192 I HA -0.231 3.899 4.170 -0.067 0.000 0.254 192 I C 2.581 178.790 176.117 0.153 0.000 1.160 192 I CA 0.417 61.815 61.300 0.163 0.000 1.445 192 I CB -0.143 37.967 38.000 0.182 0.000 1.086 192 I HN 0.086 nan 8.210 nan 0.000 0.433 193 C N 0.579 119.934 119.300 0.091 0.000 2.476 193 C HA -0.089 4.331 4.460 -0.067 0.000 0.278 193 C C 2.717 177.738 174.990 0.052 0.000 1.274 193 C CA 0.498 59.548 59.018 0.055 0.000 1.713 193 C CB -0.820 26.961 27.740 0.068 0.000 2.039 193 C HN 0.433 nan 8.230 nan 0.000 0.484 194 L N 0.530 121.787 121.223 0.057 0.000 2.017 194 L HA -0.171 4.129 4.340 -0.067 0.000 0.208 194 L C 2.400 179.270 176.870 -0.001 0.000 1.073 194 L CA 1.584 56.442 54.840 0.029 0.000 0.745 194 L CB -0.644 41.431 42.059 0.026 0.000 0.894 194 L HN 0.348 nan 8.230 nan 0.000 0.432 195 I N -0.280 120.311 120.570 0.035 0.000 2.118 195 I HA -0.366 3.764 4.170 -0.067 0.000 0.241 195 I C 2.574 178.750 176.117 0.098 0.000 1.070 195 I CA 1.464 62.790 61.300 0.043 0.000 1.327 195 I CB -0.364 37.704 38.000 0.113 0.000 1.034 195 I HN 0.269 nan 8.210 nan 0.000 0.405 196 L N 0.442 121.770 121.223 0.175 0.000 2.189 196 L HA -0.256 4.043 4.340 -0.067 0.000 0.214 196 L C 2.381 179.256 176.870 0.009 0.000 1.097 196 L CA 1.547 56.446 54.840 0.099 0.000 0.764 196 L CB -0.081 41.902 42.059 -0.127 0.000 0.900 196 L HN 0.333 nan 8.230 nan 0.000 0.436 197 L N -1.317 119.889 121.223 -0.028 0.000 2.202 197 L HA -0.091 4.208 4.340 -0.067 0.000 0.205 197 L C 1.521 178.279 176.870 -0.187 0.000 1.083 197 L CA 0.466 55.275 54.840 -0.052 0.000 0.790 197 L CB -0.319 41.736 42.059 -0.006 0.000 0.942 197 L HN 0.128 nan 8.230 nan 0.000 0.452 198 D N -0.520 119.660 120.400 -0.366 0.000 2.371 198 D HA -0.049 4.551 4.640 -0.067 0.000 0.234 198 D C 1.062 176.945 176.300 -0.695 0.000 1.049 198 D CA 0.646 54.056 54.000 -0.982 0.000 0.907 198 D CB 0.743 41.095 40.800 -0.747 0.000 0.891 198 D HN 0.077 nan 8.370 nan 0.000 0.531 199 V N 0.827 120.604 119.914 -0.229 0.000 3.111 199 V HA 0.088 4.167 4.120 -0.067 0.000 0.343 199 V C -0.427 175.710 176.094 0.072 0.000 1.417 199 V CA -0.423 61.860 62.300 -0.029 0.000 1.142 199 V CB -0.072 31.784 31.823 0.055 0.000 1.114 199 V HN 0.103 nan 8.190 nan 0.000 0.520 200 N N -0.707 118.040 118.700 0.077 0.000 2.472 200 N HA 0.545 5.245 4.740 -0.067 0.000 0.289 200 N C -1.910 173.696 175.510 0.160 0.000 1.156 200 N CA -1.440 51.674 53.050 0.106 0.000 0.940 200 N CB 1.466 39.994 38.487 0.069 0.000 1.200 200 N HN -0.161 nan 8.380 nan 0.000 0.511 201 P HA -0.236 nan 4.420 nan 0.000 0.212 201 P C 0.891 178.279 177.300 0.146 0.000 1.174 201 P CA 1.737 64.906 63.100 0.115 0.000 0.934 201 P CB 0.043 31.785 31.700 0.070 0.000 0.791 202 K N -1.690 118.799 120.400 0.150 0.000 2.227 202 K HA -0.216 4.064 4.320 -0.067 0.000 0.208 202 K C 1.898 178.625 176.600 0.211 0.000 1.045 202 K CA 1.693 58.095 56.287 0.191 0.000 0.931 202 K CB -1.168 31.495 32.500 0.272 0.000 0.721 202 K HN 0.179 nan 8.250 nan 0.000 0.469 203 F N -0.451 119.556 119.950 0.095 0.000 2.262 203 F HA 0.085 4.572 4.527 -0.068 0.000 0.292 203 F C 1.464 177.298 175.800 0.057 0.000 1.081 203 F CA 0.648 58.697 58.000 0.082 0.000 1.355 203 F CB 0.152 39.199 39.000 0.078 0.000 1.069 203 F HN -0.113 nan 8.300 nan 0.000 0.506 204 L N 0.236 121.651 121.223 0.320 0.000 2.156 204 L HA -0.135 4.165 4.340 -0.067 0.000 0.208 204 L C 2.176 179.074 176.870 0.046 0.000 1.095 204 L CA 1.178 56.135 54.840 0.195 0.000 0.770 204 L CB -0.627 41.547 42.059 0.192 0.000 0.914 204 L HN 0.045 nan 8.230 nan 0.000 0.439 205 K N 0.780 121.207 120.400 0.046 0.000 2.365 205 K HA -0.069 4.211 4.320 -0.067 0.000 0.199 205 K C 0.277 176.858 176.600 -0.031 0.000 1.045 205 K CA 0.811 57.107 56.287 0.014 0.000 0.962 205 K CB 0.090 32.609 32.500 0.033 0.000 0.759 205 K HN 0.314 nan 8.250 nan 0.000 0.469 206 N N -1.489 117.160 118.700 -0.085 0.000 3.506 206 N HA 0.081 4.780 4.740 -0.067 0.000 0.174 206 N C -0.036 175.315 175.510 -0.266 0.000 1.488 206 N CA 0.345 53.315 53.050 -0.134 0.000 0.834 206 N CB 0.016 38.462 38.487 -0.067 0.000 1.677 206 N HN 0.054 nan 8.380 nan 0.000 0.654 207 A N 1.331 123.853 122.820 -0.497 0.000 1.915 207 A HA -0.180 4.099 4.320 -0.067 0.000 0.220 207 A C 2.015 179.349 177.584 -0.416 0.000 1.198 207 A CA 2.516 54.025 52.037 -0.880 0.000 0.647 207 A CB -1.056 17.440 19.000 -0.840 0.000 0.825 207 A HN 0.694 nan 8.150 nan 0.000 0.456 208 G N -0.914 107.747 108.800 -0.233 0.000 2.433 208 G HA2 -0.241 3.678 3.960 -0.067 0.000 0.216 208 G HA3 -0.241 3.678 3.960 -0.067 0.000 0.216 208 G C 1.664 176.515 174.900 -0.082 0.000 1.186 208 G CA 1.333 46.359 45.100 -0.123 0.000 0.779 208 G HN 0.553 nan 8.290 nan 0.000 0.543 209 R N 0.877 121.328 120.500 -0.081 0.000 2.097 209 R HA -0.125 4.174 4.340 -0.067 0.000 0.236 209 R C 2.255 178.526 176.300 -0.048 0.000 1.135 209 R CA 2.202 58.266 56.100 -0.061 0.000 0.934 209 R CB -0.966 29.304 30.300 -0.049 0.000 0.846 209 R HN 0.435 nan 8.270 nan 0.000 0.431 210 D N -0.644 119.766 120.400 0.016 0.000 2.087 210 D HA -0.184 4.416 4.640 -0.067 0.000 0.192 210 D C 1.669 178.100 176.300 0.218 0.000 0.993 210 D CA 1.825 55.940 54.000 0.191 0.000 0.828 210 D CB -0.260 40.715 40.800 0.291 0.000 0.968 210 D HN 0.357 nan 8.370 nan 0.000 0.448 211 C N 0.460 119.859 119.300 0.165 0.000 2.410 211 C HA -0.098 4.322 4.460 -0.067 0.000 0.281 211 C C 3.143 178.197 174.990 0.106 0.000 1.318 211 C CA 1.361 60.483 59.018 0.173 0.000 1.776 211 C CB -1.178 26.632 27.740 0.117 0.000 1.942 211 C HN 0.476 nan 8.230 nan 0.000 0.508 212 S N 0.342 116.069 115.700 0.046 0.000 2.348 212 S HA -0.071 4.359 4.470 -0.067 0.000 0.219 212 S C 1.960 176.571 174.600 0.018 0.000 1.033 212 S CA 0.868 59.085 58.200 0.027 0.000 0.974 212 S CB -0.331 62.862 63.200 -0.011 0.000 0.868 212 S HN 0.623 nan 8.310 nan 0.000 0.459 213 R N 0.754 121.193 120.500 -0.101 0.000 2.377 213 R HA 0.115 4.414 4.340 -0.067 0.000 0.207 213 R C 1.552 177.888 176.300 0.061 0.000 1.075 213 R CA 0.444 56.397 56.100 -0.244 0.000 1.035 213 R CB -0.247 29.484 30.300 -0.948 0.000 0.857 213 R HN 0.437 nan 8.270 nan 0.000 0.475 214 R N 0.658 121.298 120.500 0.233 0.000 2.389 214 R HA -0.020 4.280 4.340 -0.067 0.000 0.210 214 R C 1.247 177.695 176.300 0.247 0.000 1.157 214 R CA 0.704 57.013 56.100 0.347 0.000 1.169 214 R CB 0.056 30.516 30.300 0.267 0.000 1.004 214 R HN 0.191 nan 8.270 nan 0.000 0.482 215 S N -1.834 114.005 115.700 0.231 0.000 2.524 215 S HA 0.049 4.478 4.470 -0.067 0.000 0.215 215 S C 0.710 175.527 174.600 0.362 0.000 0.986 215 S CA -0.553 57.769 58.200 0.204 0.000 0.911 215 S CB 0.741 64.040 63.200 0.166 0.000 0.805 215 S HN 0.058 nan 8.310 nan 0.000 0.501 216 S N 3.278 119.213 115.700 0.392 0.000 2.429 216 S HA 0.443 4.873 4.470 -0.067 0.000 0.302 216 S C -1.554 173.261 174.600 0.358 0.000 1.115 216 S CA -1.782 56.624 58.200 0.345 0.000 1.095 216 S CB 1.484 64.825 63.200 0.236 0.000 0.987 216 S HN 0.111 nan 8.310 nan 0.000 0.474 217 P HA -0.093 nan 4.420 nan 0.000 0.217 217 P C 1.589 178.812 177.300 -0.128 0.000 1.150 217 P CA 0.761 63.658 63.100 -0.338 0.000 0.832 217 P CB 0.002 31.377 31.700 -0.541 0.000 0.787 218 V N -1.211 118.677 119.914 -0.044 0.000 2.515 218 V HA -0.228 3.851 4.120 -0.067 0.000 0.250 218 V C 2.452 178.535 176.094 -0.017 0.000 1.058 218 V CA 1.551 63.816 62.300 -0.058 0.000 1.064 218 V CB -1.342 30.459 31.823 -0.038 0.000 0.675 218 V HN -0.059 nan 8.190 nan 0.000 0.461 219 Y N 0.703 120.988 120.300 -0.025 0.000 2.114 219 Y HA -0.104 4.406 4.550 -0.067 0.000 0.284 219 Y C 2.380 178.296 175.900 0.028 0.000 1.119 219 Y CA 2.428 60.531 58.100 0.005 0.000 1.108 219 Y CB -0.700 37.801 38.460 0.069 0.000 0.995 219 Y HN 0.100 nan 8.280 nan 0.000 0.491 220 V N 0.700 120.650 119.914 0.060 0.000 2.317 220 V HA -0.353 3.726 4.120 -0.067 0.000 0.251 220 V C 2.619 178.663 176.094 -0.085 0.000 1.065 220 V CA 2.027 64.332 62.300 0.008 0.000 1.049 220 V CB -1.794 30.204 31.823 0.291 0.000 0.651 220 V HN 0.664 nan 8.190 nan 0.000 0.450 221 G N -0.433 108.311 108.800 -0.092 0.000 2.446 221 G HA2 -0.245 3.675 3.960 -0.067 0.000 0.217 221 G HA3 -0.245 3.675 3.960 -0.067 0.000 0.217 221 G C 1.742 176.560 174.900 -0.137 0.000 1.168 221 G CA 0.608 45.641 45.100 -0.112 0.000 0.771 221 G HN 0.346 nan 8.290 nan 0.000 0.551 222 R N -0.028 120.363 120.500 -0.181 0.000 2.081 222 R HA -0.028 4.272 4.340 -0.067 0.000 0.235 222 R C 2.749 178.958 176.300 -0.151 0.000 1.131 222 R CA 1.109 57.105 56.100 -0.173 0.000 0.960 222 R CB -0.894 29.284 30.300 -0.203 0.000 0.856 222 R HN 0.367 nan 8.270 nan 0.000 0.436 223 V N 0.087 119.857 119.914 -0.240 0.000 2.237 223 V HA -0.182 3.897 4.120 -0.067 0.000 0.245 223 V C 2.508 178.527 176.094 -0.125 0.000 1.046 223 V CA 2.135 64.314 62.300 -0.201 0.000 1.007 223 V CB -1.225 30.412 31.823 -0.309 0.000 0.638 223 V HN 0.460 nan 8.190 nan 0.000 0.445 224 G N -0.743 107.986 108.800 -0.117 0.000 2.545 224 G HA2 -0.376 3.544 3.960 -0.067 0.000 0.217 224 G HA3 -0.376 3.544 3.960 -0.067 0.000 0.217 224 G C 1.917 176.745 174.900 -0.119 0.000 1.218 224 G CA 1.565 46.604 45.100 -0.102 0.000 0.787 224 G HN 0.495 nan 8.290 nan 0.000 0.571 225 S N 0.630 116.262 115.700 -0.112 0.000 2.378 225 S HA -0.135 4.294 4.470 -0.067 0.000 0.229 225 S C 2.467 176.969 174.600 -0.164 0.000 1.052 225 S CA 2.378 60.505 58.200 -0.122 0.000 1.084 225 S CB -0.958 62.173 63.200 -0.115 0.000 0.950 225 S HN 0.597 nan 8.310 nan 0.000 0.440 226 G N 0.294 109.002 108.800 -0.153 0.000 2.484 226 G HA2 -0.042 3.878 3.960 -0.067 0.000 0.218 226 G HA3 -0.042 3.878 3.960 -0.067 0.000 0.218 226 G C 1.271 176.102 174.900 -0.115 0.000 1.130 226 G CA 0.561 45.564 45.100 -0.161 0.000 0.784 226 G HN 0.461 nan 8.290 nan 0.000 0.543 227 M N 0.868 120.397 119.600 -0.118 0.000 2.659 227 M HA 0.139 4.578 4.480 -0.067 0.000 0.243 227 M C 2.198 178.364 176.300 -0.225 0.000 1.111 227 M CA 0.220 55.440 55.300 -0.133 0.000 1.070 227 M CB 0.112 32.631 32.600 -0.136 0.000 1.525 227 M HN 0.112 nan 8.290 nan 0.000 0.517 228 V N -0.040 119.726 119.914 -0.246 0.000 2.379 228 V HA -0.111 3.969 4.120 -0.067 0.000 0.243 228 V C 1.776 177.650 176.094 -0.366 0.000 1.035 228 V CA 1.657 63.779 62.300 -0.296 0.000 1.035 228 V CB -0.436 31.247 31.823 -0.234 0.000 0.673 228 V HN 0.448 nan 8.190 nan 0.000 0.457 229 N N -1.191 117.247 118.700 -0.436 0.000 3.411 229 N HA 0.024 4.723 4.740 -0.067 0.000 0.236 229 N C 0.383 175.740 175.510 -0.256 0.000 1.053 229 N CA 0.538 53.295 53.050 -0.488 0.000 1.133 229 N CB 0.212 38.066 38.487 -1.055 0.000 1.460 229 N HN 0.405 nan 8.380 nan 0.000 0.724 230 c N 2.856 121.293 118.600 -0.271 0.000 1.537 230 c HA 0.103 4.633 4.570 -0.067 0.000 0.459 230 c C 0.356 174.469 174.090 0.038 0.000 1.461 230 c CA -0.362 55.877 56.329 -0.150 0.000 1.623 230 c CB -2.563 39.672 42.510 -0.458 0.000 3.004 230 c HN 0.811 nan 8.230 nan 0.000 0.599 231 N N 1.058 119.808 118.700 0.082 0.000 2.556 231 N HA -0.159 4.540 4.740 -0.067 0.000 0.276 231 N C -0.206 175.342 175.510 0.064 0.000 1.259 231 N CA 0.905 54.015 53.050 0.099 0.000 0.654 231 N CB -0.800 37.771 38.487 0.140 0.000 0.889 231 N HN 0.855 nan 8.380 nan 0.000 0.547 232 D N 1.060 121.494 120.400 0.056 0.000 2.332 232 D HA 0.052 4.652 4.640 -0.067 0.000 0.244 232 D C 1.056 177.405 176.300 0.082 0.000 1.136 232 D CA 0.306 54.343 54.000 0.062 0.000 0.884 232 D CB -0.077 40.765 40.800 0.070 0.000 0.906 232 D HN 0.631 nan 8.370 nan 0.000 0.520 233 D N -0.315 120.131 120.400 0.078 0.000 2.265 233 D HA -0.168 4.432 4.640 -0.067 0.000 0.208 233 D C 0.717 177.071 176.300 0.090 0.000 0.977 233 D CA 0.969 55.015 54.000 0.076 0.000 0.871 233 D CB 0.291 41.131 40.800 0.068 0.000 0.925 233 D HN 0.037 nan 8.370 nan 0.000 0.485 234 Q N -0.883 118.983 119.800 0.111 0.000 2.375 234 Q HA 0.261 4.561 4.340 -0.067 0.000 0.261 234 Q C -0.279 175.843 176.000 0.203 0.000 0.741 234 Q CA 0.044 55.944 55.803 0.160 0.000 1.041 234 Q CB 0.206 29.029 28.738 0.142 0.000 1.393 234 Q HN 0.108 nan 8.270 nan 0.000 0.369 235 G N -0.971 107.923 108.800 0.157 0.000 2.525 235 G HA2 0.460 4.380 3.960 -0.067 0.000 0.287 235 G HA3 0.460 4.380 3.960 -0.067 0.000 0.287 235 G C 0.289 175.235 174.900 0.077 0.000 1.350 235 G CA 0.074 45.208 45.100 0.056 0.000 1.039 235 G HN 0.147 nan 8.290 nan 0.000 0.513 236 V N -0.849 118.921 119.914 -0.239 0.000 3.048 236 V HA 0.318 4.397 4.120 -0.067 0.000 0.241 236 V C 0.688 176.703 176.094 -0.132 0.000 1.129 236 V CA 0.641 62.637 62.300 -0.507 0.000 1.128 236 V CB -0.325 31.025 31.823 -0.789 0.000 0.849 236 V HN 0.270 nan 8.190 nan 0.000 0.475 237 L N 0.707 121.875 121.223 -0.092 0.000 2.381 237 L HA 0.576 4.875 4.340 -0.067 0.000 0.268 237 L C -1.188 175.728 176.870 0.078 0.000 0.997 237 L CA -0.745 54.111 54.840 0.027 0.000 0.818 237 L CB 2.461 44.595 42.059 0.125 0.000 1.310 237 L HN 0.108 nan 8.230 nan 0.000 0.416 238 L N 2.018 123.313 121.223 0.120 0.000 2.272 238 L HA 0.670 4.970 4.340 -0.067 0.000 0.289 238 L C 0.418 177.438 176.870 0.248 0.000 1.032 238 L CA 0.136 55.070 54.840 0.157 0.000 0.810 238 L CB 1.276 43.394 42.059 0.098 0.000 1.205 238 L HN 0.569 nan 8.230 nan 0.000 0.422 239 G N 3.493 112.490 108.800 0.328 0.000 2.667 239 G HA2 0.474 4.393 3.960 -0.067 0.000 0.250 239 G HA3 0.474 4.393 3.960 -0.067 0.000 0.250 239 G C -0.905 174.019 174.900 0.041 0.000 1.212 239 G CA -0.358 44.825 45.100 0.139 0.000 0.874 239 G HN 0.811 nan 8.290 nan 0.000 0.561 240 R N -0.467 119.671 120.500 -0.603 0.000 2.868 240 R HA 0.189 4.489 4.340 -0.067 0.000 0.262 240 R C -0.790 175.330 176.300 -0.301 0.000 1.163 240 R CA -0.728 55.321 56.100 -0.086 0.000 1.105 240 R CB 0.079 30.372 30.300 -0.012 0.000 1.270 240 R HN 0.674 nan 8.270 nan 0.000 0.437 241 W N 2.282 123.696 121.300 0.191 0.000 2.773 241 W HA 0.021 4.641 4.660 -0.067 0.000 0.297 241 W C 0.807 177.378 176.519 0.086 0.000 1.050 241 W CA 0.503 57.938 57.345 0.151 0.000 1.467 241 W CB 0.688 30.172 29.460 0.041 0.000 0.977 241 W HN 0.717 nan 8.180 nan 0.000 0.573 242 D N 0.251 120.775 120.400 0.206 0.000 2.265 242 D HA -0.250 4.350 4.640 -0.067 0.000 0.208 242 D C 0.903 177.139 176.300 -0.106 0.000 0.977 242 D CA 1.301 55.324 54.000 0.038 0.000 0.871 242 D CB -0.720 40.078 40.800 -0.003 0.000 0.925 242 D HN 0.153 nan 8.370 nan 0.000 0.485 243 N N -0.436 118.081 118.700 -0.304 0.000 2.989 243 N HA -0.171 4.528 4.740 -0.067 0.000 0.247 243 N C -1.275 173.668 175.510 -0.945 0.000 1.119 243 N CA 0.285 52.931 53.050 -0.674 0.000 0.755 243 N CB -1.731 36.640 38.487 -0.194 0.000 1.100 243 N HN 0.314 nan 8.380 nan 0.000 0.550 244 N N 0.886 118.940 118.700 -1.078 0.000 2.716 244 N HA 0.186 4.886 4.740 -0.067 0.000 0.253 244 N C -0.619 174.478 175.510 -0.689 0.000 1.170 244 N CA -0.160 52.493 53.050 -0.661 0.000 0.807 244 N CB 0.188 38.480 38.487 -0.325 0.000 1.183 244 N HN 0.169 nan 8.380 nan 0.000 0.524 245 Y N -0.316 119.851 120.300 -0.221 0.000 2.507 245 Y HA 0.304 4.814 4.550 -0.067 0.000 0.254 245 Y C 2.119 178.010 175.900 -0.014 0.000 1.171 245 Y CA -0.558 57.380 58.100 -0.270 0.000 1.238 245 Y CB 0.041 38.386 38.460 -0.193 0.000 1.148 245 Y HN 0.420 nan 8.280 nan 0.000 0.525 246 G N 1.160 109.990 108.800 0.049 0.000 2.606 246 G HA2 -0.323 3.597 3.960 -0.067 0.000 0.223 246 G HA3 -0.323 3.597 3.960 -0.067 0.000 0.223 246 G C 1.028 176.001 174.900 0.122 0.000 1.106 246 G CA 1.612 46.753 45.100 0.068 0.000 0.745 246 G HN 0.520 nan 8.290 nan 0.000 0.597 247 D N 0.039 120.561 120.400 0.204 0.000 2.706 247 D HA 0.410 5.010 4.640 -0.067 0.000 0.236 247 D C 0.848 177.305 176.300 0.262 0.000 1.231 247 D CA 0.430 54.552 54.000 0.203 0.000 0.828 247 D CB 0.154 41.066 40.800 0.187 0.000 1.015 247 D HN 0.382 nan 8.370 nan 0.000 0.484 248 G N -0.926 108.050 108.800 0.292 0.000 2.450 248 G HA2 0.358 4.277 3.960 -0.067 0.000 0.273 248 G HA3 0.358 4.277 3.960 -0.067 0.000 0.273 248 G C -1.800 173.200 174.900 0.167 0.000 1.221 248 G CA -0.511 44.728 45.100 0.232 0.000 0.900 248 G HN 0.065 nan 8.290 nan 0.000 0.483 249 V N 1.330 121.310 119.914 0.110 0.000 2.409 249 V HA 0.573 4.653 4.120 -0.067 0.000 0.291 249 V C 0.789 176.755 176.094 -0.213 0.000 1.020 249 V CA -0.444 61.725 62.300 -0.218 0.000 0.848 249 V CB 1.163 32.489 31.823 -0.828 0.000 0.990 249 V HN 0.995 nan 8.190 nan 0.000 0.430 250 S N 6.708 122.286 115.700 -0.204 0.000 2.626 250 S HA 0.055 4.485 4.470 -0.067 0.000 0.303 250 S C -1.158 173.233 174.600 -0.348 0.000 1.256 250 S CA -0.359 57.662 58.200 -0.299 0.000 1.069 250 S CB 0.752 63.918 63.200 -0.057 0.000 0.807 250 S HN 0.609 nan 8.310 nan 0.000 0.500 251 P HA -0.144 nan 4.420 nan 0.000 0.217 251 P C 1.513 179.002 177.300 0.316 0.000 1.151 251 P CA 1.255 64.316 63.100 -0.065 0.000 0.849 251 P CB 0.079 31.519 31.700 -0.433 0.000 0.787 252 M N -1.590 118.183 119.600 0.287 0.000 2.557 252 M HA -0.002 4.437 4.480 -0.067 0.000 0.259 252 M C 1.643 178.045 176.300 0.171 0.000 1.086 252 M CA 1.302 56.824 55.300 0.370 0.000 1.096 252 M CB -1.113 31.622 32.600 0.225 0.000 1.424 252 M HN -0.100 nan 8.290 nan 0.000 0.488 253 S N -0.996 114.692 115.700 -0.020 0.000 2.436 253 S HA -0.039 4.391 4.470 -0.067 0.000 0.228 253 S C 0.100 174.610 174.600 -0.150 0.000 1.014 253 S CA -0.006 58.102 58.200 -0.153 0.000 0.950 253 S CB -0.089 62.919 63.200 -0.319 0.000 0.784 253 S HN 0.458 nan 8.310 nan 0.000 0.504 254 W N 1.942 123.261 121.300 0.032 0.000 2.231 254 W HA 0.236 4.856 4.660 -0.067 0.000 0.341 254 W C 1.064 177.389 176.519 -0.324 0.000 1.298 254 W CA -0.431 56.855 57.345 -0.099 0.000 1.266 254 W CB 0.151 29.633 29.460 0.036 0.000 1.172 254 W HN 0.161 nan 8.180 nan 0.000 0.568 255 I N 0.992 121.367 120.570 -0.326 0.000 3.813 255 I HA 0.679 4.809 4.170 -0.067 0.000 0.323 255 I C 0.367 175.799 176.117 -1.142 0.000 1.536 255 I CA -0.424 60.502 61.300 -0.624 0.000 1.083 255 I CB 0.166 38.012 38.000 -0.257 0.000 1.265 255 I HN 0.454 nan 8.210 nan 0.000 0.507 256 G N 0.341 108.204 108.800 -1.562 0.000 2.318 256 G HA2 0.147 4.067 3.960 -0.067 0.000 0.306 256 G HA3 0.147 4.067 3.960 -0.067 0.000 0.306 256 G C -0.011 174.643 174.900 -0.410 0.000 1.696 256 G CA -0.091 44.242 45.100 -1.279 0.000 0.905 256 G HN -0.033 nan 8.290 nan 0.000 0.700 257 S N 0.531 116.326 115.700 0.158 0.000 2.419 257 S HA -0.159 4.271 4.470 -0.067 0.000 0.235 257 S C 2.652 177.264 174.600 0.021 0.000 1.019 257 S CA 1.412 59.735 58.200 0.205 0.000 0.982 257 S CB -0.115 63.282 63.200 0.328 0.000 0.789 257 S HN 0.730 nan 8.310 nan 0.000 0.490 258 V N 2.286 122.206 119.914 0.010 0.000 2.317 258 V HA -0.267 3.813 4.120 -0.067 0.000 0.251 258 V C 2.386 178.479 176.094 -0.000 0.000 1.065 258 V CA 2.273 64.578 62.300 0.007 0.000 1.049 258 V CB -0.716 31.106 31.823 -0.003 0.000 0.651 258 V HN 0.413 nan 8.190 nan 0.000 0.450 259 D N -0.396 120.002 120.400 -0.004 0.000 2.162 259 D HA -0.051 4.549 4.640 -0.067 0.000 0.203 259 D C 2.002 178.294 176.300 -0.012 0.000 0.967 259 D CA 0.961 54.990 54.000 0.048 0.000 0.840 259 D CB -0.121 40.782 40.800 0.172 0.000 0.972 259 D HN 0.436 nan 8.370 nan 0.000 0.482 260 I N 0.231 120.672 120.570 -0.215 0.000 2.163 260 I HA -0.242 3.887 4.170 -0.067 0.000 0.243 260 I C 2.164 178.211 176.117 -0.118 0.000 1.085 260 I CA 0.463 61.529 61.300 -0.390 0.000 1.347 260 I CB -0.218 37.359 38.000 -0.706 0.000 1.044 260 I HN 0.121 nan 8.210 nan 0.000 0.408 261 L N 0.770 121.954 121.223 -0.064 0.000 2.012 261 L HA -0.195 4.105 4.340 -0.067 0.000 0.210 261 L C 2.719 179.672 176.870 0.139 0.000 1.073 261 L CA 1.928 56.792 54.840 0.040 0.000 0.748 261 L CB -1.291 40.784 42.059 0.027 0.000 0.891 261 L HN 0.276 nan 8.230 nan 0.000 0.431 262 R N -0.670 119.868 120.500 0.063 0.000 2.075 262 R HA -0.125 4.175 4.340 -0.067 0.000 0.232 262 R C 2.284 178.567 176.300 -0.028 0.000 1.126 262 R CA 1.001 57.123 56.100 0.037 0.000 0.963 262 R CB -0.219 30.092 30.300 0.018 0.000 0.858 262 R HN 0.262 nan 8.270 nan 0.000 0.435 263 R N -0.731 119.739 120.500 -0.051 0.000 2.193 263 R HA -0.179 4.121 4.340 -0.067 0.000 0.229 263 R C 1.638 177.838 176.300 -0.166 0.000 1.110 263 R CA 1.320 57.293 56.100 -0.212 0.000 0.988 263 R CB -0.168 30.106 30.300 -0.044 0.000 0.871 263 R HN 0.347 nan 8.270 nan 0.000 0.458 264 W N 1.539 122.743 121.300 -0.161 0.000 2.452 264 W HA -0.095 4.525 4.660 -0.068 0.000 0.313 264 W C 2.117 178.599 176.519 -0.062 0.000 1.176 264 W CA 1.178 58.469 57.345 -0.089 0.000 1.350 264 W CB -0.237 29.180 29.460 -0.072 0.000 1.148 264 W HN -0.167 nan 8.180 nan 0.000 0.498 265 K N 0.288 120.649 120.400 -0.065 0.000 2.002 265 K HA -0.229 4.051 4.320 -0.067 0.000 0.209 265 K C 1.681 178.162 176.600 -0.199 0.000 1.048 265 K CA 1.981 58.107 56.287 -0.269 0.000 0.930 265 K CB -0.726 31.752 32.500 -0.037 0.000 0.714 265 K HN 0.052 nan 8.250 nan 0.000 0.438 266 N N 0.547 119.170 118.700 -0.128 0.000 2.334 266 N HA -0.146 4.554 4.740 -0.067 0.000 0.187 266 N C 0.278 175.817 175.510 0.047 0.000 1.016 266 N CA 1.037 54.038 53.050 -0.082 0.000 0.879 266 N CB -0.162 38.249 38.487 -0.127 0.000 0.965 266 N HN 0.310 nan 8.380 nan 0.000 0.438 267 H N -0.913 118.100 119.070 -0.096 0.000 2.539 267 H HA 0.384 4.899 4.556 -0.067 0.000 0.293 267 H C 0.800 176.026 175.328 -0.170 0.000 1.156 267 H CA -0.533 55.458 56.048 -0.096 0.000 1.012 267 H CB -0.332 29.398 29.762 -0.053 0.000 1.600 267 H HN 0.100 nan 8.280 nan 0.000 0.538 268 G N 0.699 109.439 108.800 -0.100 0.000 2.371 268 G HA2 -0.341 3.578 3.960 -0.067 0.000 0.299 268 G HA3 -0.341 3.578 3.960 -0.067 0.000 0.299 268 G C 0.744 175.428 174.900 -0.359 0.000 1.014 268 G CA 0.155 45.136 45.100 -0.197 0.000 1.097 268 G HN 0.670 nan 8.290 nan 0.000 0.512 269 C N -1.370 117.509 119.300 -0.702 0.000 4.235 269 C HA -0.153 4.266 4.460 -0.067 0.000 0.301 269 C C 0.958 175.563 174.990 -0.641 0.000 1.409 269 C CA 1.336 59.563 59.018 -1.318 0.000 2.024 269 C CB -2.228 24.851 27.740 -1.102 0.000 1.286 269 C HN 0.841 nan 8.230 nan 0.000 0.746 270 Q N -0.284 119.322 119.800 -0.322 0.000 2.278 270 Q HA 0.491 4.791 4.340 -0.067 0.000 0.257 270 Q C 0.255 176.370 176.000 0.191 0.000 0.928 270 Q CA -0.674 55.124 55.803 -0.008 0.000 0.932 270 Q CB 0.933 29.687 28.738 0.027 0.000 1.221 270 Q HN 0.449 nan 8.270 nan 0.000 0.434 271 R N 0.418 121.068 120.500 0.249 0.000 2.474 271 R HA -0.027 4.272 4.340 -0.067 0.000 0.290 271 R C -0.478 175.935 176.300 0.189 0.000 0.918 271 R CA 0.078 56.330 56.100 0.253 0.000 1.130 271 R CB -0.626 29.762 30.300 0.146 0.000 0.881 271 R HN 0.266 nan 8.270 nan 0.000 0.416 272 V N 3.742 123.768 119.914 0.187 0.000 2.686 272 V HA 0.037 4.116 4.120 -0.067 0.000 0.295 272 V C 0.877 177.008 176.094 0.062 0.000 1.055 272 V CA -0.520 61.864 62.300 0.139 0.000 1.050 272 V CB 0.929 32.810 31.823 0.097 0.000 0.984 272 V HN 0.537 nan 8.190 nan 0.000 0.482 273 K N 4.657 125.074 120.400 0.027 0.000 2.250 273 K HA 0.119 4.399 4.320 -0.067 0.000 0.277 273 K C -1.029 175.469 176.600 -0.170 0.000 1.091 273 K CA 0.470 56.586 56.287 -0.285 0.000 1.046 273 K CB -1.028 31.315 32.500 -0.261 0.000 0.982 273 K HN 0.580 nan 8.250 nan 0.000 0.429 274 Y N -1.439 118.961 120.300 0.168 0.000 2.585 274 Y HA -0.146 4.364 4.550 -0.067 0.000 0.029 274 Y C 0.724 176.665 175.900 0.068 0.000 1.781 274 Y CA 0.803 58.934 58.100 0.053 0.000 1.362 274 Y CB -1.505 36.931 38.460 -0.040 0.000 2.012 274 Y HN 0.700 nan 8.280 nan 0.000 0.266 275 G N 1.815 110.617 108.800 0.002 0.000 2.660 275 G HA2 0.746 4.665 3.960 -0.067 0.000 0.290 275 G HA3 0.746 4.665 3.960 -0.067 0.000 0.290 275 G C -1.488 172.921 174.900 -0.819 0.000 1.432 275 G CA -1.060 43.865 45.100 -0.293 0.000 0.807 275 G HN 0.510 nan 8.290 nan 0.000 0.485 276 Q N -1.285 117.696 119.800 -1.364 0.000 2.615 276 Q HA 0.300 4.600 4.340 -0.067 0.000 0.298 276 Q C 1.589 176.664 176.000 -1.542 0.000 1.023 276 Q CA -0.459 54.532 55.803 -1.353 0.000 0.768 276 Q CB 2.089 30.255 28.738 -0.953 0.000 1.500 276 Q HN 1.034 nan 8.270 nan 0.000 0.441 277 C N -0.379 118.673 119.300 -0.413 0.000 2.369 277 C HA -0.199 4.221 4.460 -0.067 0.000 0.273 277 C C 2.069 176.965 174.990 -0.157 0.000 1.172 277 C CA 1.806 60.833 59.018 0.014 0.000 1.791 277 C CB -1.546 26.612 27.740 0.697 0.000 2.086 277 C HN 1.011 nan 8.230 nan 0.000 0.459 278 W N 1.749 122.939 121.300 -0.184 0.000 2.436 278 W HA 0.225 4.844 4.660 -0.067 0.000 0.284 278 W C 1.837 178.121 176.519 -0.392 0.000 1.225 278 W CA 1.117 58.307 57.345 -0.259 0.000 1.271 278 W CB -1.112 28.201 29.460 -0.245 0.000 1.114 278 W HN 0.190 nan 8.180 nan 0.000 0.559 279 V N 1.380 120.557 119.914 -1.228 0.000 2.548 279 V HA -0.264 3.815 4.120 -0.067 0.000 0.249 279 V C 2.214 178.051 176.094 -0.429 0.000 1.055 279 V CA 1.571 63.363 62.300 -0.847 0.000 1.065 279 V CB -1.093 30.228 31.823 -0.836 0.000 0.681 279 V HN 0.060 nan 8.190 nan 0.000 0.462 280 F N 1.326 121.090 119.950 -0.311 0.000 2.084 280 F HA -0.016 4.470 4.527 -0.067 0.000 0.296 280 F C 2.565 178.262 175.800 -0.173 0.000 1.111 280 F CA 0.858 58.743 58.000 -0.192 0.000 1.224 280 F CB -1.710 37.236 39.000 -0.088 0.000 0.991 280 F HN 0.110 nan 8.300 nan 0.000 0.471 281 A N 0.263 123.104 122.820 0.036 0.000 1.908 281 A HA -0.110 4.170 4.320 -0.067 0.000 0.218 281 A C 2.466 179.991 177.584 -0.097 0.000 1.181 281 A CA 2.191 54.213 52.037 -0.025 0.000 0.627 281 A CB -1.333 17.640 19.000 -0.045 0.000 0.818 281 A HN 0.325 nan 8.150 nan 0.000 0.445 282 A N -0.200 122.479 122.820 -0.236 0.000 1.902 282 A HA -0.004 4.276 4.320 -0.067 0.000 0.217 282 A C 2.346 179.896 177.584 -0.057 0.000 1.181 282 A CA 2.213 54.057 52.037 -0.321 0.000 0.623 282 A CB -1.198 17.046 19.000 -1.261 0.000 0.818 282 A HN 1.235 nan 8.150 nan 0.000 0.443 283 V N -2.732 117.145 119.914 -0.062 0.000 2.667 283 V HA 0.104 4.183 4.120 -0.067 0.000 0.252 283 V C 2.382 178.463 176.094 -0.021 0.000 1.065 283 V CA 1.619 63.926 62.300 0.013 0.000 1.083 283 V CB -1.094 30.696 31.823 -0.056 0.000 0.692 283 V HN 0.496 nan 8.190 nan 0.000 0.468 284 A N -0.334 122.460 122.820 -0.044 0.000 1.898 284 A HA -0.224 4.056 4.320 -0.067 0.000 0.216 284 A C 2.442 179.990 177.584 -0.059 0.000 1.181 284 A CA 1.934 53.938 52.037 -0.056 0.000 0.620 284 A CB -1.354 17.619 19.000 -0.045 0.000 0.819 284 A HN 0.711 nan 8.150 nan 0.000 0.442 285 C N -1.024 118.229 119.300 -0.079 0.000 2.440 285 C HA -0.055 4.365 4.460 -0.067 0.000 0.278 285 C C 2.942 177.831 174.990 -0.169 0.000 1.295 285 C CA 1.879 60.788 59.018 -0.182 0.000 1.738 285 C CB -1.491 26.035 27.740 -0.356 0.000 1.987 285 C HN 0.603 nan 8.230 nan 0.000 0.492 286 T N 0.181 114.727 114.554 -0.013 0.000 2.777 286 T HA -0.122 4.188 4.350 -0.067 0.000 0.266 286 T C 1.799 176.507 174.700 0.013 0.000 1.040 286 T CA 1.807 63.942 62.100 0.060 0.000 1.141 286 T CB -0.265 68.716 68.868 0.187 0.000 0.868 286 T HN 0.419 nan 8.240 nan 0.000 0.444 287 V N 1.686 121.599 119.914 -0.002 0.000 2.223 287 V HA -0.132 3.947 4.120 -0.067 0.000 0.244 287 V C 2.532 178.644 176.094 0.029 0.000 1.045 287 V CA 1.625 63.927 62.300 0.004 0.000 1.000 287 V CB -0.725 31.076 31.823 -0.037 0.000 0.635 287 V HN 0.434 nan 8.190 nan 0.000 0.445 288 L N -0.597 120.628 121.223 0.004 0.000 2.013 288 L HA -0.245 4.054 4.340 -0.067 0.000 0.212 288 L C 2.779 179.682 176.870 0.054 0.000 1.073 288 L CA 1.855 56.709 54.840 0.023 0.000 0.753 288 L CB -0.793 41.254 42.059 -0.020 0.000 0.890 288 L HN 0.266 nan 8.230 nan 0.000 0.432 289 R N -0.758 119.743 120.500 0.002 0.000 2.091 289 R HA -0.209 4.091 4.340 -0.067 0.000 0.238 289 R C 2.492 178.869 176.300 0.129 0.000 1.136 289 R CA 1.754 57.862 56.100 0.015 0.000 0.959 289 R CB -0.901 29.324 30.300 -0.125 0.000 0.856 289 R HN 0.485 nan 8.270 nan 0.000 0.437 290 C N 0.895 120.272 119.300 0.129 0.000 2.413 290 C HA -0.112 4.307 4.460 -0.067 0.000 0.278 290 C C 2.360 177.534 174.990 0.306 0.000 1.224 290 C CA 0.701 59.877 59.018 0.263 0.000 1.732 290 C CB -0.925 26.928 27.740 0.189 0.000 2.050 290 C HN 0.364 nan 8.230 nan 0.000 0.463 291 L N 1.079 122.452 121.223 0.249 0.000 2.450 291 L HA 0.139 4.439 4.340 -0.067 0.000 0.224 291 L C 2.223 179.345 176.870 0.421 0.000 1.149 291 L CA 2.081 57.106 54.840 0.310 0.000 0.816 291 L CB -1.529 40.725 42.059 0.325 0.000 0.932 291 L HN 0.755 nan 8.230 nan 0.000 0.449 292 G N -1.382 107.633 108.800 0.357 0.000 2.201 292 G HA2 -0.233 3.687 3.960 -0.067 0.000 0.212 292 G HA3 -0.233 3.687 3.960 -0.067 0.000 0.212 292 G C 0.426 175.468 174.900 0.237 0.000 0.994 292 G CA -0.089 45.233 45.100 0.371 0.000 0.644 292 G HN 0.274 nan 8.290 nan 0.000 0.508 293 I N 2.684 123.323 120.570 0.114 0.000 2.322 293 I HA 0.265 4.395 4.170 -0.067 0.000 0.292 293 I C -2.021 174.099 176.117 0.005 0.000 1.060 293 I CA -2.060 59.202 61.300 -0.064 0.000 1.309 293 I CB 1.141 39.009 38.000 -0.219 0.000 1.415 293 I HN -0.159 nan 8.210 nan 0.000 0.492 294 P HA -0.020 nan 4.420 nan 0.000 0.256 294 P C -0.832 176.544 177.300 0.128 0.000 1.173 294 P CA 0.672 63.812 63.100 0.066 0.000 0.768 294 P CB 0.329 32.028 31.700 -0.003 0.000 0.758 295 T N 4.220 118.835 114.554 0.102 0.000 2.909 295 T HA 0.648 4.958 4.350 -0.067 0.000 0.299 295 T C -0.529 174.147 174.700 -0.040 0.000 1.073 295 T CA -0.964 61.168 62.100 0.052 0.000 0.999 295 T CB 1.694 70.543 68.868 -0.031 0.000 1.098 295 T HN 0.370 nan 8.240 nan 0.000 0.477 296 R N 0.231 120.646 120.500 -0.141 0.000 2.564 296 R HA 0.734 5.034 4.340 -0.067 0.000 0.284 296 R C -1.116 175.065 176.300 -0.199 0.000 1.031 296 R CA -0.916 55.077 56.100 -0.179 0.000 0.904 296 R CB 1.345 31.490 30.300 -0.260 0.000 1.199 296 R HN 0.480 nan 8.270 nan 0.000 0.443 297 V N 3.717 123.540 119.914 -0.150 0.000 2.555 297 V HA 0.393 4.472 4.120 -0.067 0.000 0.286 297 V C -0.494 175.487 176.094 -0.187 0.000 1.044 297 V CA -0.004 62.212 62.300 -0.140 0.000 1.026 297 V CB 1.259 33.038 31.823 -0.073 0.000 0.981 297 V HN 0.620 nan 8.190 nan 0.000 0.480 298 V N 5.317 125.030 119.914 -0.335 0.000 2.769 298 V HA 0.587 4.666 4.120 -0.067 0.000 0.312 298 V C 0.262 175.971 176.094 -0.642 0.000 1.058 298 V CA -0.443 61.567 62.300 -0.483 0.000 0.952 298 V CB 2.326 33.770 31.823 -0.632 0.000 1.019 298 V HN 1.012 nan 8.190 nan 0.000 0.445 299 T N 3.067 117.292 114.554 -0.549 0.000 2.841 299 T HA 0.447 4.757 4.350 -0.067 0.000 0.283 299 T C -0.656 173.657 174.700 -0.644 0.000 1.000 299 T CA -0.501 61.252 62.100 -0.578 0.000 0.977 299 T CB 1.237 69.847 68.868 -0.430 0.000 0.979 299 T HN 0.709 nan 8.240 nan 0.000 0.446 300 N N 1.600 119.912 118.700 -0.646 0.000 2.399 300 N HA 0.395 5.095 4.740 -0.067 0.000 0.280 300 N C -1.731 173.653 175.510 -0.211 0.000 1.008 300 N CA -0.555 52.259 53.050 -0.393 0.000 0.894 300 N CB 0.670 38.947 38.487 -0.351 0.000 1.273 300 N HN 0.454 nan 8.380 nan 0.000 0.486 301 Y N 2.151 122.484 120.300 0.055 0.000 2.310 301 Y HA 0.319 4.828 4.550 -0.067 0.000 0.326 301 Y C 0.610 176.610 175.900 0.166 0.000 1.151 301 Y CA -0.431 57.765 58.100 0.160 0.000 1.195 301 Y CB 0.913 39.428 38.460 0.093 0.000 1.210 301 Y HN 0.563 nan 8.280 nan 0.000 0.483 302 N N 0.767 119.673 118.700 0.344 0.000 2.708 302 N HA -0.217 4.482 4.740 -0.067 0.000 0.255 302 N C -0.725 174.929 175.510 0.240 0.000 1.046 302 N CA 0.637 53.847 53.050 0.266 0.000 0.715 302 N CB -1.021 37.594 38.487 0.213 0.000 0.895 302 N HN 0.452 nan 8.380 nan 0.000 0.545 303 S N -0.337 115.530 115.700 0.277 0.000 2.489 303 S HA 0.572 5.002 4.470 -0.067 0.000 0.277 303 S C 0.756 175.470 174.600 0.190 0.000 1.230 303 S CA -0.096 58.251 58.200 0.244 0.000 1.053 303 S CB 0.703 64.085 63.200 0.302 0.000 0.955 303 S HN 0.402 nan 8.310 nan 0.000 0.488 304 A N 4.616 127.515 122.820 0.132 0.000 3.118 304 A HA 0.258 4.537 4.320 -0.067 0.000 0.256 304 A C 0.141 177.722 177.584 -0.004 0.000 1.667 304 A CA -0.197 51.897 52.037 0.095 0.000 1.338 304 A CB -0.816 18.230 19.000 0.077 0.000 1.127 304 A HN 0.949 nan 8.150 nan 0.000 0.634 305 H N -0.307 118.568 119.070 -0.326 0.000 2.546 305 H HA 0.320 4.836 4.556 -0.067 0.000 0.365 305 H C 0.918 175.968 175.328 -0.463 0.000 1.220 305 H CA 1.129 56.776 56.048 -0.668 0.000 1.386 305 H CB 0.708 29.490 29.762 -1.634 0.000 1.510 305 H HN 0.618 nan 8.280 nan 0.000 0.591 306 D N -0.689 118.968 120.400 -1.238 0.000 2.614 306 D HA -0.230 4.370 4.640 -0.067 0.000 0.182 306 D C -0.265 175.865 176.300 -0.284 0.000 1.067 306 D CA 1.378 54.943 54.000 -0.724 0.000 1.053 306 D CB -0.481 40.099 40.800 -0.366 0.000 1.117 306 D HN 0.524 nan 8.370 nan 0.000 0.438 307 Q N 0.052 119.754 119.800 -0.163 0.000 2.479 307 Q HA 0.030 4.329 4.340 -0.067 0.000 0.267 307 Q C 1.194 177.210 176.000 0.027 0.000 1.071 307 Q CA 0.218 56.000 55.803 -0.034 0.000 0.935 307 Q CB 0.139 28.875 28.738 -0.002 0.000 1.295 307 Q HN 0.360 nan 8.270 nan 0.000 0.476 308 N N 0.105 118.841 118.700 0.060 0.000 2.609 308 N HA -0.131 4.568 4.740 -0.067 0.000 0.190 308 N C 0.192 175.823 175.510 0.203 0.000 1.157 308 N CA 0.955 54.098 53.050 0.154 0.000 0.918 308 N CB 0.292 38.825 38.487 0.077 0.000 0.978 308 N HN 0.583 nan 8.380 nan 0.000 0.448 309 S N -0.868 114.895 115.700 0.105 0.000 1.934 309 S HA -0.143 4.286 4.470 -0.067 0.000 0.250 309 S C -0.816 173.749 174.600 -0.059 0.000 1.384 309 S CA -0.223 57.953 58.200 -0.039 0.000 1.104 309 S CB -2.020 60.876 63.200 -0.506 0.000 1.409 309 S HN 0.517 nan 8.310 nan 0.000 0.645 310 N N 3.410 122.095 118.700 -0.025 0.000 2.386 310 N HA 0.114 4.814 4.740 -0.067 0.000 0.273 310 N C 0.927 176.433 175.510 -0.007 0.000 1.331 310 N CA 0.126 53.164 53.050 -0.019 0.000 0.891 310 N CB 0.335 38.816 38.487 -0.009 0.000 1.139 310 N HN 0.287 nan 8.380 nan 0.000 0.487 311 L N 1.813 123.037 121.223 0.001 0.000 2.633 311 L HA 0.070 4.369 4.340 -0.067 0.000 0.235 311 L C 0.295 177.228 176.870 0.105 0.000 1.163 311 L CA 0.921 55.763 54.840 0.005 0.000 0.859 311 L CB -1.320 40.746 42.059 0.013 0.000 0.973 311 L HN 0.579 nan 8.230 nan 0.000 0.451 312 L N -0.017 121.239 121.223 0.056 0.000 2.470 312 L HA 0.529 4.828 4.340 -0.067 0.000 0.268 312 L C -1.095 175.768 176.870 -0.011 0.000 0.964 312 L CA -0.310 54.555 54.840 0.041 0.000 0.839 312 L CB 2.333 44.420 42.059 0.047 0.000 1.276 312 L HN -0.165 nan 8.230 nan 0.000 0.403 313 I N 3.765 124.301 120.570 -0.056 0.000 2.545 313 I HA 0.452 4.582 4.170 -0.067 0.000 0.292 313 I C -0.765 175.190 176.117 -0.269 0.000 1.040 313 I CA -0.509 60.683 61.300 -0.179 0.000 1.068 313 I CB 2.213 40.080 38.000 -0.221 0.000 1.251 313 I HN 0.575 nan 8.210 nan 0.000 0.424 314 E N 4.944 124.950 120.200 -0.322 0.000 2.222 314 E HA 0.541 4.850 4.350 -0.067 0.000 0.267 314 E C -1.769 174.515 176.600 -0.527 0.000 0.884 314 E CA -0.710 55.516 56.400 -0.291 0.000 0.764 314 E CB 2.490 32.212 29.700 0.037 0.000 1.169 314 E HN 0.382 nan 8.360 nan 0.000 0.413 315 Y N 1.191 121.306 120.300 -0.307 0.000 2.462 315 Y HA 0.474 4.984 4.550 -0.067 0.000 0.346 315 Y C -0.751 174.833 175.900 -0.526 0.000 0.976 315 Y CA -1.050 56.909 58.100 -0.235 0.000 1.044 315 Y CB 1.414 39.822 38.460 -0.086 0.000 1.230 315 Y HN 0.409 nan 8.280 nan 0.000 0.455 316 F N 2.316 122.456 119.950 0.317 0.000 2.477 316 F HA 0.631 5.118 4.527 -0.067 0.000 0.335 316 F C -0.194 175.706 175.800 0.166 0.000 1.130 316 F CA -1.024 57.116 58.000 0.234 0.000 0.948 316 F CB 1.406 40.493 39.000 0.145 0.000 1.154 316 F HN 0.246 nan 8.300 nan 0.000 0.439 317 R N 2.214 122.855 120.500 0.235 0.000 2.664 317 R HA 0.427 4.727 4.340 -0.067 0.000 0.286 317 R C -0.089 176.296 176.300 0.141 0.000 0.967 317 R CA -1.205 54.989 56.100 0.158 0.000 0.933 317 R CB 1.435 31.793 30.300 0.096 0.000 1.146 317 R HN 0.662 nan 8.270 nan 0.000 0.468 318 N N 1.639 120.425 118.700 0.142 0.000 2.290 318 N HA -0.112 4.587 4.740 -0.067 0.000 0.269 318 N C 0.310 175.915 175.510 0.158 0.000 1.295 318 N CA -0.217 52.925 53.050 0.152 0.000 0.932 318 N CB 0.324 38.912 38.487 0.168 0.000 1.128 318 N HN 0.656 nan 8.380 nan 0.000 0.532 319 E N -0.673 119.647 120.200 0.199 0.000 2.322 319 E HA -0.032 4.278 4.350 -0.067 0.000 0.195 319 E C -0.488 176.005 176.600 -0.178 0.000 1.198 319 E CA 0.183 56.619 56.400 0.060 0.000 1.132 319 E CB -0.879 28.840 29.700 0.030 0.000 1.213 319 E HN 0.554 nan 8.360 nan 0.000 0.450 320 F N -0.797 119.132 119.950 -0.034 0.000 2.838 320 F HA 0.341 4.827 4.527 -0.067 0.000 0.329 320 F C 1.584 177.367 175.800 -0.028 0.000 1.116 320 F CA -0.004 57.948 58.000 -0.081 0.000 1.155 320 F CB 1.067 39.999 39.000 -0.113 0.000 1.106 320 F HN 0.234 nan 8.300 nan 0.000 0.538 321 G N 1.238 110.109 108.800 0.119 0.000 2.168 321 G HA2 -0.359 3.561 3.960 -0.067 0.000 0.263 321 G HA3 -0.359 3.561 3.960 -0.067 0.000 0.263 321 G C 0.236 175.188 174.900 0.088 0.000 0.977 321 G CA 0.389 45.537 45.100 0.080 0.000 0.659 321 G HN 0.436 nan 8.290 nan 0.000 0.533 322 E N 0.557 120.834 120.200 0.129 0.000 2.070 322 E HA 0.443 4.753 4.350 -0.067 0.000 0.282 322 E C 0.722 177.368 176.600 0.078 0.000 1.104 322 E CA -1.060 55.395 56.400 0.092 0.000 0.876 322 E CB -0.016 29.740 29.700 0.094 0.000 1.055 322 E HN 0.219 nan 8.360 nan 0.000 0.401 323 I N 5.331 125.925 120.570 0.041 0.000 3.352 323 I HA -0.182 3.947 4.170 -0.067 0.000 0.289 323 I C 1.441 177.621 176.117 0.103 0.000 1.203 323 I CA 0.738 62.075 61.300 0.061 0.000 1.454 323 I CB -0.282 37.703 38.000 -0.026 0.000 1.519 323 I HN 0.720 nan 8.210 nan 0.000 0.628 324 Q N 4.748 124.634 119.800 0.142 0.000 2.170 324 Q HA -0.063 4.236 4.340 -0.067 0.000 0.203 324 Q C 1.947 178.036 176.000 0.147 0.000 0.976 324 Q CA 1.471 57.353 55.803 0.131 0.000 0.858 324 Q CB -0.260 28.565 28.738 0.144 0.000 0.907 324 Q HN 0.821 nan 8.270 nan 0.000 0.433 325 G N 0.920 109.854 108.800 0.223 0.000 4.023 325 G HA2 -0.335 3.584 3.960 -0.067 0.000 0.346 325 G HA3 -0.335 3.584 3.960 -0.067 0.000 0.346 325 G C -0.083 174.910 174.900 0.155 0.000 0.853 325 G CA 0.910 46.160 45.100 0.250 0.000 0.712 325 G HN 0.661 nan 8.290 nan 0.000 1.461 326 D N -3.146 117.343 120.400 0.148 0.000 10.578 326 D HA -0.141 4.459 4.640 -0.067 0.000 0.322 326 D C 0.651 177.006 176.300 0.093 0.000 3.165 326 D CA 0.615 54.673 54.000 0.097 0.000 2.763 326 D CB -0.729 40.111 40.800 0.066 0.000 1.264 326 D HN 0.536 nan 8.370 nan 0.000 0.958 327 K N -1.511 118.930 120.400 0.069 0.000 3.580 327 K HA -0.224 4.056 4.320 -0.067 0.000 0.288 327 K C 0.111 176.756 176.600 0.075 0.000 1.160 327 K CA 1.709 58.031 56.287 0.057 0.000 1.053 327 K CB -1.770 30.757 32.500 0.045 0.000 1.362 327 K HN 0.484 nan 8.250 nan 0.000 0.436 328 S N 0.886 116.655 115.700 0.116 0.000 2.525 328 S HA 0.257 4.686 4.470 -0.067 0.000 0.278 328 S C -0.377 174.332 174.600 0.183 0.000 1.234 328 S CA -0.474 57.818 58.200 0.153 0.000 1.058 328 S CB 1.544 64.879 63.200 0.225 0.000 0.983 328 S HN 0.217 nan 8.310 nan 0.000 0.495 329 E N 3.785 124.091 120.200 0.175 0.000 2.289 329 E HA 0.247 4.556 4.350 -0.067 0.000 0.278 329 E C -0.163 176.618 176.600 0.302 0.000 1.032 329 E CA -0.409 56.104 56.400 0.188 0.000 0.854 329 E CB 0.447 30.239 29.700 0.152 0.000 1.046 329 E HN 0.488 nan 8.360 nan 0.000 0.409 330 M N 3.209 122.936 119.600 0.211 0.000 2.202 330 M HA 0.234 4.674 4.480 -0.067 0.000 0.316 330 M C 0.118 176.580 176.300 0.268 0.000 1.138 330 M CA -0.661 54.731 55.300 0.154 0.000 1.151 330 M CB 0.255 32.849 32.600 -0.011 0.000 1.422 330 M HN 0.467 nan 8.290 nan 0.000 0.471 331 I N 1.290 121.999 120.570 0.231 0.000 2.496 331 I HA 0.008 4.138 4.170 -0.067 0.000 0.285 331 I C -0.318 175.994 176.117 0.325 0.000 1.080 331 I CA -0.423 61.060 61.300 0.305 0.000 1.404 331 I CB 0.083 38.222 38.000 0.233 0.000 1.403 331 I HN 0.547 nan 8.210 nan 0.000 0.539 332 W N 5.830 127.163 121.300 0.055 0.000 2.216 332 W HA 0.146 4.766 4.660 -0.067 0.000 0.326 332 W C 1.493 178.051 176.519 0.065 0.000 1.319 332 W CA -0.230 57.119 57.345 0.006 0.000 1.213 332 W CB -0.348 29.119 29.460 0.010 0.000 1.171 332 W HN 0.482 nan 8.180 nan 0.000 0.557 333 N N 1.607 120.416 118.700 0.182 0.000 2.104 333 N HA -0.081 4.619 4.740 -0.067 0.000 0.190 333 N C -0.313 175.456 175.510 0.433 0.000 1.024 333 N CA 1.598 54.809 53.050 0.269 0.000 0.853 333 N CB -0.243 38.382 38.487 0.229 0.000 1.008 333 N HN 0.310 nan 8.380 nan 0.000 0.424 334 F N -3.089 117.074 119.950 0.355 0.000 2.690 334 F HA 0.519 5.006 4.527 -0.067 0.000 0.311 334 F C -1.149 174.952 175.800 0.501 0.000 1.111 334 F CA -1.408 56.691 58.000 0.165 0.000 1.003 334 F CB 0.757 39.592 39.000 -0.274 0.000 1.283 334 F HN -0.119 nan 8.300 nan 0.000 0.442 335 H N 1.467 120.774 119.070 0.396 0.000 2.768 335 H HA 0.841 5.357 4.556 -0.067 0.000 0.371 335 H C -1.696 173.726 175.328 0.157 0.000 1.151 335 H CA -1.073 55.206 56.048 0.385 0.000 1.165 335 H CB 2.063 31.855 29.762 0.051 0.000 1.722 335 H HN 1.090 nan 8.280 nan 0.000 0.543 336 C N 4.106 123.185 119.300 -0.369 0.000 2.561 336 C HA 0.724 5.144 4.460 -0.067 0.000 0.319 336 C C -1.034 173.702 174.990 -0.423 0.000 1.198 336 C CA -0.548 58.202 59.018 -0.446 0.000 1.665 336 C CB -0.582 27.089 27.740 -0.115 0.000 2.258 336 C HN 0.924 nan 8.230 nan 0.000 0.493 337 W N 1.229 122.335 121.300 -0.323 0.000 2.961 337 W HA 0.797 5.417 4.660 -0.068 0.000 0.368 337 W C -0.994 175.444 176.519 -0.136 0.000 1.213 337 W CA -0.957 56.263 57.345 -0.208 0.000 1.173 337 W CB -0.236 29.118 29.460 -0.176 0.000 1.487 337 W HN 0.681 nan 8.180 nan 0.000 0.585 338 V N -1.336 118.725 119.914 0.245 0.000 3.158 338 V HA 0.812 4.891 4.120 -0.067 0.000 0.315 338 V C -0.919 175.304 176.094 0.214 0.000 1.148 338 V CA -1.184 61.170 62.300 0.089 0.000 1.042 338 V CB 1.894 33.722 31.823 0.009 0.000 1.101 338 V HN 0.743 nan 8.190 nan 0.000 0.448 339 E N 0.611 120.850 120.200 0.065 0.000 2.272 339 E HA 0.658 4.968 4.350 -0.067 0.000 0.269 339 E C -1.400 175.343 176.600 0.238 0.000 0.877 339 E CA -0.637 55.843 56.400 0.133 0.000 0.755 339 E CB 2.317 31.969 29.700 -0.080 0.000 1.192 339 E HN 0.756 nan 8.360 nan 0.000 0.422 340 S N 1.772 117.676 115.700 0.339 0.000 2.521 340 S HA 0.295 4.725 4.470 -0.067 0.000 0.295 340 S C -1.420 173.322 174.600 0.235 0.000 1.098 340 S CA -0.812 57.560 58.200 0.287 0.000 0.999 340 S CB 1.135 64.376 63.200 0.069 0.000 1.034 340 S HN 0.457 nan 8.310 nan 0.000 0.483 341 W N 7.179 128.356 121.300 -0.204 0.000 2.358 341 W HA 0.555 5.174 4.660 -0.068 0.000 0.307 341 W C -0.823 175.490 176.519 -0.344 0.000 1.203 341 W CA -0.450 56.561 57.345 -0.558 0.000 1.279 341 W CB 0.341 29.259 29.460 -0.903 0.000 1.264 341 W HN 0.757 nan 8.180 nan 0.000 0.474 342 M N 3.955 123.121 119.600 -0.723 0.000 2.790 342 M HA 0.290 4.729 4.480 -0.067 0.000 0.272 342 M C -1.243 174.742 176.300 -0.525 0.000 1.168 342 M CA -0.725 54.268 55.300 -0.512 0.000 0.829 342 M CB 1.935 34.357 32.600 -0.296 0.000 1.675 342 M HN 0.089 nan 8.290 nan 0.000 0.505 343 T N 0.375 114.731 114.554 -0.330 0.000 2.899 343 T HA 0.530 4.840 4.350 -0.067 0.000 0.284 343 T C -0.336 174.281 174.700 -0.139 0.000 1.004 343 T CA -0.498 61.459 62.100 -0.238 0.000 1.043 343 T CB 0.706 69.489 68.868 -0.142 0.000 1.013 343 T HN 0.691 nan 8.240 nan 0.000 0.518 344 R N 4.000 124.450 120.500 -0.085 0.000 2.860 344 R HA 0.222 4.522 4.340 -0.067 0.000 0.282 344 R C -2.398 173.912 176.300 0.015 0.000 1.408 344 R CA -1.619 54.472 56.100 -0.015 0.000 1.636 344 R CB 0.863 31.179 30.300 0.026 0.000 1.187 344 R HN 0.472 nan 8.270 nan 0.000 0.611 345 P HA -0.011 nan 4.420 nan 0.000 0.261 345 P C -0.636 176.688 177.300 0.041 0.000 1.650 345 P CA 0.662 63.775 63.100 0.022 0.000 0.846 345 P CB -0.134 31.579 31.700 0.022 0.000 1.758 346 D N -2.945 117.488 120.400 0.055 0.000 2.583 346 D HA 0.132 4.731 4.640 -0.067 0.000 0.282 346 D C -0.140 176.203 176.300 0.071 0.000 1.485 346 D CA -0.115 53.927 54.000 0.069 0.000 0.834 346 D CB -0.364 40.499 40.800 0.105 0.000 1.258 346 D HN 0.056 nan 8.370 nan 0.000 0.470 347 L N 1.049 122.315 121.223 0.072 0.000 2.415 347 L HA 0.383 4.683 4.340 -0.067 0.000 0.256 347 L C -0.515 176.394 176.870 0.064 0.000 1.010 347 L CA -1.347 53.551 54.840 0.097 0.000 0.826 347 L CB 2.117 44.282 42.059 0.177 0.000 1.405 347 L HN -0.022 nan 8.230 nan 0.000 0.410 348 Q N 0.636 120.467 119.800 0.052 0.000 2.318 348 Q HA 0.122 4.421 4.340 -0.067 0.000 0.270 348 Q C -2.479 173.450 176.000 -0.118 0.000 1.237 348 Q CA -1.235 54.550 55.803 -0.031 0.000 0.937 348 Q CB -0.823 27.890 28.738 -0.042 0.000 1.375 348 Q HN 0.210 nan 8.270 nan 0.000 0.452 349 P HA -0.127 nan 4.420 nan 0.000 0.268 349 P C 0.750 177.924 177.300 -0.210 0.000 1.140 349 P CA 2.195 65.229 63.100 -0.110 0.000 0.751 349 P CB 0.005 31.659 31.700 -0.077 0.000 0.740 350 G N 1.006 109.696 108.800 -0.184 0.000 2.205 350 G HA2 -0.228 3.691 3.960 -0.067 0.000 0.180 350 G HA3 -0.228 3.691 3.960 -0.067 0.000 0.180 350 G C 0.060 174.846 174.900 -0.190 0.000 1.004 350 G CA -0.512 44.452 45.100 -0.226 0.000 0.670 350 G HN 0.458 nan 8.290 nan 0.000 0.496 351 Y N 2.008 122.267 120.300 -0.069 0.000 2.720 351 Y HA 0.484 4.993 4.550 -0.067 0.000 0.277 351 Y C 0.706 176.517 175.900 -0.148 0.000 1.144 351 Y CA -1.104 56.945 58.100 -0.085 0.000 1.221 351 Y CB 0.088 38.514 38.460 -0.057 0.000 1.163 351 Y HN 0.322 nan 8.280 nan 0.000 0.537 352 E N -0.429 119.733 120.200 -0.063 0.000 2.349 352 E HA 0.615 4.925 4.350 -0.067 0.000 0.265 352 E C 1.012 177.333 176.600 -0.465 0.000 1.064 352 E CA 0.299 56.539 56.400 -0.265 0.000 0.886 352 E CB 0.983 30.515 29.700 -0.280 0.000 1.036 352 E HN 0.308 nan 8.360 nan 0.000 0.413 353 G N 0.343 108.602 108.800 -0.901 0.000 2.301 353 G HA2 -0.171 3.748 3.960 -0.067 0.000 0.194 353 G HA3 -0.171 3.748 3.960 -0.067 0.000 0.194 353 G C -1.474 172.956 174.900 -0.784 0.000 1.266 353 G CA -0.868 43.403 45.100 -1.381 0.000 1.210 353 G HN 0.459 nan 8.290 nan 0.000 0.524 354 W N 2.593 123.828 121.300 -0.110 0.000 2.529 354 W HA 0.533 5.153 4.660 -0.067 0.000 0.319 354 W C 0.373 176.839 176.519 -0.088 0.000 1.362 354 W CA -0.390 56.958 57.345 0.005 0.000 1.348 354 W CB 0.746 30.248 29.460 0.070 0.000 1.403 354 W HN 0.247 nan 8.180 nan 0.000 0.519 355 Q N 3.057 122.962 119.800 0.174 0.000 2.290 355 Q HA 0.459 4.759 4.340 -0.067 0.000 0.259 355 Q C -0.104 175.958 176.000 0.103 0.000 0.941 355 Q CA -0.584 55.253 55.803 0.057 0.000 0.912 355 Q CB 1.657 30.384 28.738 -0.017 0.000 1.244 355 Q HN 0.523 nan 8.270 nan 0.000 0.441 356 A N 4.441 127.291 122.820 0.050 0.000 2.350 356 A HA 0.496 4.776 4.320 -0.067 0.000 0.293 356 A C -0.397 177.175 177.584 -0.020 0.000 1.231 356 A CA -0.328 51.745 52.037 0.060 0.000 0.883 356 A CB 0.015 18.995 19.000 -0.033 0.000 1.133 356 A HN 0.706 nan 8.150 nan 0.000 0.533 357 L N 2.971 124.219 121.223 0.042 0.000 2.313 357 L HA 0.383 4.682 4.340 -0.067 0.000 0.283 357 L C -0.450 176.436 176.870 0.026 0.000 1.013 357 L CA -0.553 54.282 54.840 -0.008 0.000 0.816 357 L CB 1.805 43.858 42.059 -0.010 0.000 1.236 357 L HN 0.696 nan 8.230 nan 0.000 0.419 358 D N 5.780 126.157 120.400 -0.038 0.000 2.440 358 D HA 0.256 4.856 4.640 -0.067 0.000 0.239 358 D C -2.106 174.186 176.300 -0.013 0.000 1.084 358 D CA -1.600 52.418 54.000 0.030 0.000 0.843 358 D CB 2.447 43.237 40.800 -0.016 0.000 1.097 358 D HN 0.240 nan 8.370 nan 0.000 0.531 359 P HA 0.084 nan 4.420 nan 0.000 0.255 359 P C -0.187 177.089 177.300 -0.039 0.000 1.301 359 P CA -0.072 62.994 63.100 -0.056 0.000 0.817 359 P CB 0.143 31.830 31.700 -0.021 0.000 1.259 360 T N 2.745 117.374 114.554 0.126 0.000 2.743 360 T HA 0.378 4.687 4.350 -0.067 0.000 0.292 360 T C -2.640 172.109 174.700 0.082 0.000 0.972 360 T CA -1.751 60.507 62.100 0.263 0.000 0.967 360 T CB 1.026 70.212 68.868 0.530 0.000 0.926 360 T HN -0.029 nan 8.240 nan 0.000 0.459 361 P HA 0.195 nan 4.420 nan 0.000 0.271 361 P C -0.744 176.515 177.300 -0.068 0.000 1.216 361 P CA -0.364 62.681 63.100 -0.091 0.000 0.771 361 P CB 0.333 31.989 31.700 -0.074 0.000 0.864 362 Q N 0.534 120.217 119.800 -0.196 0.000 2.315 362 Q HA 0.356 4.655 4.340 -0.067 0.000 0.273 362 Q C -0.711 175.108 176.000 -0.302 0.000 1.053 362 Q CA -1.021 54.586 55.803 -0.327 0.000 0.817 362 Q CB 1.714 30.090 28.738 -0.604 0.000 1.326 362 Q HN 0.273 nan 8.270 nan 0.000 0.423 363 E N 2.864 122.931 120.200 -0.222 0.000 2.606 363 E HA -0.042 4.268 4.350 -0.067 0.000 0.248 363 E C -0.881 175.642 176.600 -0.129 0.000 1.005 363 E CA 0.709 57.031 56.400 -0.130 0.000 0.946 363 E CB 0.477 30.127 29.700 -0.084 0.000 0.928 363 E HN 0.475 nan 8.360 nan 0.000 0.494 364 K N 1.059 121.412 120.400 -0.079 0.000 2.416 364 K HA 0.173 4.453 4.320 -0.067 0.000 0.244 364 K C 1.100 177.810 176.600 0.183 0.000 1.044 364 K CA -0.225 56.105 56.287 0.072 0.000 0.972 364 K CB 0.669 33.171 32.500 0.002 0.000 1.286 364 K HN 0.424 nan 8.250 nan 0.000 0.500 365 S N 0.028 115.904 115.700 0.295 0.000 2.805 365 S HA -0.059 4.370 4.470 -0.067 0.000 0.230 365 S C 0.294 174.946 174.600 0.086 0.000 0.968 365 S CA 0.817 59.100 58.200 0.139 0.000 0.976 365 S CB -0.600 62.650 63.200 0.083 0.000 0.787 365 S HN 0.623 nan 8.310 nan 0.000 0.533 366 E N -0.858 119.392 120.200 0.084 0.000 3.383 366 E HA 0.329 4.639 4.350 -0.067 0.000 0.256 366 E C 0.993 177.617 176.600 0.040 0.000 1.197 366 E CA 0.172 56.604 56.400 0.053 0.000 1.851 366 E CB -0.097 29.635 29.700 0.054 0.000 2.128 366 E HN 0.397 nan 8.360 nan 0.000 0.951 367 G N 0.228 109.054 108.800 0.043 0.000 3.321 367 G HA2 0.407 4.327 3.960 -0.067 0.000 0.169 367 G HA3 0.407 4.327 3.960 -0.067 0.000 0.169 367 G C -1.018 173.894 174.900 0.020 0.000 1.153 367 G CA -0.058 45.060 45.100 0.030 0.000 1.007 367 G HN -0.035 nan 8.290 nan 0.000 0.668 368 T N 0.710 115.286 114.554 0.037 0.000 3.077 368 T HA 0.554 4.864 4.350 -0.067 0.000 0.359 368 T C -1.743 173.022 174.700 0.108 0.000 1.108 368 T CA -0.087 62.031 62.100 0.030 0.000 1.170 368 T CB 0.635 69.513 68.868 0.018 0.000 1.045 368 T HN 0.430 nan 8.240 nan 0.000 0.505 369 Y N 1.622 121.869 120.300 -0.088 0.000 2.805 369 Y HA 0.692 5.201 4.550 -0.067 0.000 0.323 369 Y C -0.046 175.785 175.900 -0.114 0.000 1.279 369 Y CA -1.717 56.337 58.100 -0.076 0.000 1.103 369 Y CB 0.889 39.321 38.460 -0.047 0.000 1.324 369 Y HN 0.702 nan 8.280 nan 0.000 0.498 370 c N -0.373 117.697 118.600 -0.883 0.000 2.380 370 c HA 0.911 5.441 4.570 -0.067 0.000 0.393 370 c C -0.070 173.814 174.090 -0.343 0.000 1.284 370 c CA -1.008 54.986 56.329 -0.559 0.000 2.033 370 c CB 0.332 42.511 42.510 -0.550 0.000 2.165 370 c HN 0.805 nan 8.230 nan 0.000 0.540 371 C N -0.232 118.942 119.300 -0.211 0.000 2.710 371 C HA 1.026 5.445 4.460 -0.067 0.000 0.367 371 C C 0.785 175.745 174.990 -0.049 0.000 1.315 371 C CA 0.735 59.710 59.018 -0.073 0.000 1.764 371 C CB 0.347 28.049 27.740 -0.064 0.000 2.182 371 C HN 2.034 nan 8.230 nan 0.000 0.491 372 G N 1.431 110.248 108.800 0.028 0.000 2.795 372 G HA2 -0.021 3.899 3.960 -0.067 0.000 0.664 372 G HA3 -0.021 3.899 3.960 -0.067 0.000 0.664 372 G C -3.201 171.657 174.900 -0.071 0.000 1.381 372 G CA -0.769 44.334 45.100 0.005 0.000 0.853 372 G HN 0.662 nan 8.290 nan 0.000 0.545 373 P HA 0.498 nan 4.420 nan 0.000 0.280 373 P C -0.510 176.823 177.300 0.054 0.000 1.244 373 P CA -0.206 62.853 63.100 -0.068 0.000 0.784 373 P CB 1.895 33.525 31.700 -0.116 0.000 0.913 374 V N 4.977 124.903 119.914 0.020 0.000 2.709 374 V HA 0.455 4.534 4.120 -0.067 0.000 0.308 374 V C -2.661 173.380 176.094 -0.089 0.000 1.062 374 V CA -3.010 59.289 62.300 -0.002 0.000 0.901 374 V CB 2.274 34.085 31.823 -0.019 0.000 1.003 374 V HN 0.343 nan 8.190 nan 0.000 0.425 375 P HA 0.107 nan 4.420 nan 0.000 0.264 375 P C 0.754 177.917 177.300 -0.229 0.000 1.193 375 P CA 0.200 63.171 63.100 -0.215 0.000 0.763 375 P CB 1.021 32.477 31.700 -0.406 0.000 0.810 376 V N 4.241 124.051 119.914 -0.173 0.000 2.358 376 V HA -0.188 3.892 4.120 -0.067 0.000 0.246 376 V C 2.439 178.385 176.094 -0.246 0.000 1.047 376 V CA 1.465 63.583 62.300 -0.303 0.000 1.035 376 V CB -0.893 30.722 31.823 -0.346 0.000 0.658 376 V HN 0.648 nan 8.190 nan 0.000 0.452 377 R N 0.415 120.845 120.500 -0.116 0.000 2.170 377 R HA -0.190 4.110 4.340 -0.067 0.000 0.242 377 R C 2.184 178.479 176.300 -0.007 0.000 1.145 377 R CA 1.729 57.825 56.100 -0.008 0.000 0.984 377 R CB -0.512 29.878 30.300 0.150 0.000 0.869 377 R HN 0.533 nan 8.270 nan 0.000 0.455 378 A N 0.970 123.655 122.820 -0.226 0.000 1.872 378 A HA -0.083 4.196 4.320 -0.067 0.000 0.214 378 A C 2.039 179.574 177.584 -0.082 0.000 1.187 378 A CA 0.966 52.817 52.037 -0.311 0.000 0.614 378 A CB -0.318 18.285 19.000 -0.662 0.000 0.826 378 A HN 0.208 nan 8.150 nan 0.000 0.442 379 I N 0.008 120.528 120.570 -0.084 0.000 2.700 379 I HA -0.167 3.963 4.170 -0.067 0.000 0.261 379 I C 2.185 178.407 176.117 0.175 0.000 1.219 379 I CA 1.620 62.973 61.300 0.088 0.000 1.463 379 I CB -1.053 36.940 38.000 -0.012 0.000 1.092 379 I HN 0.449 nan 8.210 nan 0.000 0.452 380 K N 0.855 121.275 120.400 0.035 0.000 2.137 380 K HA -0.082 4.197 4.320 -0.067 0.000 0.202 380 K C 1.848 178.566 176.600 0.197 0.000 1.052 380 K CA 0.665 56.962 56.287 0.017 0.000 0.961 380 K CB 0.337 32.719 32.500 -0.197 0.000 0.741 380 K HN 0.105 nan 8.250 nan 0.000 0.452 381 E N -0.481 119.853 120.200 0.223 0.000 2.158 381 E HA -0.027 4.282 4.350 -0.067 0.000 0.191 381 E C 1.147 177.884 176.600 0.229 0.000 0.982 381 E CA 1.139 57.710 56.400 0.284 0.000 0.823 381 E CB 0.330 30.174 29.700 0.240 0.000 0.766 381 E HN 0.565 nan 8.360 nan 0.000 0.468 382 G N 2.168 111.080 108.800 0.187 0.000 2.148 382 G HA2 -0.234 3.686 3.960 -0.067 0.000 0.203 382 G HA3 -0.234 3.686 3.960 -0.067 0.000 0.203 382 G C 0.083 174.917 174.900 -0.111 0.000 0.993 382 G CA 0.191 45.288 45.100 -0.005 0.000 0.661 382 G HN 0.241 nan 8.290 nan 0.000 0.518 383 D N 0.833 121.222 120.400 -0.018 0.000 2.848 383 D HA 0.316 4.915 4.640 -0.067 0.000 0.232 383 D C 2.028 178.269 176.300 -0.099 0.000 1.107 383 D CA -0.398 53.591 54.000 -0.019 0.000 1.020 383 D CB -0.339 40.514 40.800 0.088 0.000 1.148 383 D HN 0.159 nan 8.370 nan 0.000 0.453 384 L N 0.385 121.502 121.223 -0.177 0.000 2.556 384 L HA -0.111 4.188 4.340 -0.067 0.000 0.230 384 L C 2.135 178.920 176.870 -0.142 0.000 1.163 384 L CA 1.103 55.823 54.840 -0.200 0.000 0.819 384 L CB -0.478 41.407 42.059 -0.290 0.000 0.939 384 L HN 0.149 nan 8.230 nan 0.000 0.452 385 S N -2.100 113.537 115.700 -0.105 0.000 2.548 385 S HA 0.062 4.491 4.470 -0.067 0.000 0.215 385 S C 0.919 175.466 174.600 -0.087 0.000 0.976 385 S CA 0.010 58.158 58.200 -0.087 0.000 0.908 385 S CB -0.138 63.027 63.200 -0.058 0.000 0.781 385 S HN 0.411 nan 8.310 nan 0.000 0.519 386 T N 3.693 118.189 114.554 -0.096 0.000 2.928 386 T HA 0.074 4.384 4.350 -0.067 0.000 0.305 386 T C 0.335 174.945 174.700 -0.149 0.000 1.035 386 T CA -0.023 62.008 62.100 -0.115 0.000 1.145 386 T CB 0.321 69.052 68.868 -0.228 0.000 0.963 386 T HN 0.009 nan 8.240 nan 0.000 0.545 387 K N 2.687 122.973 120.400 -0.191 0.000 2.524 387 K HA -0.004 4.276 4.320 -0.067 0.000 0.279 387 K C -0.565 175.806 176.600 -0.380 0.000 0.993 387 K CA 0.499 56.525 56.287 -0.435 0.000 1.030 387 K CB -0.154 31.966 32.500 -0.634 0.000 0.891 387 K HN 0.737 nan 8.250 nan 0.000 0.488 388 Y N 0.667 120.969 120.300 0.004 0.000 3.002 388 Y HA -0.187 4.322 4.550 -0.067 0.000 0.106 388 Y C 0.034 175.952 175.900 0.030 0.000 2.236 388 Y CA 0.150 58.264 58.100 0.022 0.000 1.102 388 Y CB -2.288 36.177 38.460 0.009 0.000 1.728 388 Y HN 0.936 nan 8.280 nan 0.000 0.323 389 D N -1.668 118.825 120.400 0.154 0.000 2.811 389 D HA -0.308 4.292 4.640 -0.067 0.000 0.231 389 D C 1.474 177.851 176.300 0.129 0.000 1.157 389 D CA 0.934 55.066 54.000 0.221 0.000 0.716 389 D CB -0.861 40.121 40.800 0.304 0.000 1.077 389 D HN 0.739 nan 8.370 nan 0.000 0.428 390 A N 0.136 122.968 122.820 0.021 0.000 1.927 390 A HA -0.153 4.126 4.320 -0.067 0.000 0.220 390 A C -0.072 177.507 177.584 -0.008 0.000 1.185 390 A CA 1.891 53.917 52.037 -0.017 0.000 0.639 390 A CB -1.154 17.798 19.000 -0.080 0.000 0.820 390 A HN 0.310 nan 8.150 nan 0.000 0.451 391 P HA -0.138 nan 4.420 nan 0.000 0.215 391 P C 1.022 178.239 177.300 -0.138 0.000 1.153 391 P CA 1.113 64.101 63.100 -0.186 0.000 0.853 391 P CB -0.160 31.320 31.700 -0.366 0.000 0.788 392 F N -0.760 119.186 119.950 -0.007 0.000 2.060 392 F HA -0.153 4.333 4.527 -0.067 0.000 0.295 392 F C 2.348 178.123 175.800 -0.042 0.000 1.120 392 F CA 1.166 59.146 58.000 -0.033 0.000 1.205 392 F CB -1.657 37.307 39.000 -0.061 0.000 0.986 392 F HN -0.309 nan 8.300 nan 0.000 0.470 393 V N -0.401 119.587 119.914 0.122 0.000 2.546 393 V HA -0.319 3.760 4.120 -0.067 0.000 0.254 393 V C 2.108 178.239 176.094 0.061 0.000 1.076 393 V CA 1.662 63.939 62.300 -0.040 0.000 1.087 393 V CB -1.000 30.760 31.823 -0.105 0.000 0.674 393 V HN 0.289 nan 8.190 nan 0.000 0.470 394 F N 1.380 121.317 119.950 -0.022 0.000 2.128 394 F HA -0.013 4.474 4.527 -0.067 0.000 0.295 394 F C 2.305 178.090 175.800 -0.026 0.000 1.100 394 F CA 1.374 59.370 58.000 -0.007 0.000 1.260 394 F CB -0.393 38.579 39.000 -0.047 0.000 1.009 394 F HN 0.076 nan 8.300 nan 0.000 0.476 395 A N -0.620 122.247 122.820 0.079 0.000 2.066 395 A HA -0.132 4.148 4.320 -0.067 0.000 0.218 395 A C 1.947 179.520 177.584 -0.019 0.000 1.157 395 A CA 1.435 53.458 52.037 -0.024 0.000 0.670 395 A CB -0.749 18.261 19.000 0.016 0.000 0.804 395 A HN 0.438 nan 8.150 nan 0.000 0.453 396 E N -0.320 119.893 120.200 0.021 0.000 2.110 396 E HA -0.113 4.197 4.350 -0.067 0.000 0.193 396 E C 1.507 178.162 176.600 0.091 0.000 0.988 396 E CA 1.748 58.187 56.400 0.064 0.000 0.804 396 E CB -0.067 29.639 29.700 0.011 0.000 0.745 396 E HN 0.284 nan 8.360 nan 0.000 0.458 397 V N 0.344 120.270 119.914 0.021 0.000 3.570 397 V HA 0.136 4.215 4.120 -0.067 0.000 0.257 397 V C 0.866 176.913 176.094 -0.079 0.000 1.272 397 V CA 0.663 62.974 62.300 0.020 0.000 1.079 397 V CB 0.090 31.958 31.823 0.074 0.000 0.829 397 V HN 0.214 nan 8.190 nan 0.000 0.454 398 N N 0.529 119.073 118.700 -0.260 0.000 2.200 398 N HA 0.313 5.013 4.740 -0.067 0.000 0.224 398 N C 0.626 175.981 175.510 -0.260 0.000 1.179 398 N CA 0.334 53.197 53.050 -0.311 0.000 0.877 398 N CB 1.149 39.192 38.487 -0.740 0.000 1.072 398 N HN 0.385 nan 8.380 nan 0.000 0.519 399 A N 0.792 123.529 122.820 -0.139 0.000 2.536 399 A HA 0.057 4.336 4.320 -0.067 0.000 0.234 399 A C 0.177 177.786 177.584 0.041 0.000 1.076 399 A CA 0.536 52.538 52.037 -0.057 0.000 0.769 399 A CB 0.264 19.267 19.000 0.005 0.000 1.020 399 A HN 0.104 nan 8.150 nan 0.000 0.508 400 D N -0.437 120.021 120.400 0.097 0.000 2.342 400 D HA 0.614 5.213 4.640 -0.067 0.000 0.243 400 D C -1.147 175.179 176.300 0.044 0.000 1.019 400 D CA -0.140 53.916 54.000 0.092 0.000 0.864 400 D CB 1.794 42.658 40.800 0.106 0.000 1.315 400 D HN 0.218 nan 8.370 nan 0.000 0.468 401 V N 2.297 122.228 119.914 0.030 0.000 2.789 401 V HA 0.536 4.616 4.120 -0.067 0.000 0.311 401 V C -0.424 175.644 176.094 -0.043 0.000 1.073 401 V CA -0.825 61.486 62.300 0.019 0.000 0.921 401 V CB 2.150 34.049 31.823 0.126 0.000 1.009 401 V HN 0.404 nan 8.190 nan 0.000 0.426 402 V N 2.673 122.520 119.914 -0.112 0.000 2.531 402 V HA 0.465 4.545 4.120 -0.067 0.000 0.301 402 V C -0.905 174.984 176.094 -0.342 0.000 1.034 402 V CA -0.607 61.524 62.300 -0.282 0.000 0.865 402 V CB 2.054 33.644 31.823 -0.388 0.000 0.995 402 V HN 0.865 nan 8.190 nan 0.000 0.424 403 D N 4.243 124.432 120.400 -0.351 0.000 2.373 403 D HA 0.273 4.873 4.640 -0.067 0.000 0.227 403 D C -0.882 175.193 176.300 -0.375 0.000 1.091 403 D CA -0.080 53.775 54.000 -0.242 0.000 0.840 403 D CB 1.379 42.124 40.800 -0.091 0.000 1.060 403 D HN 0.441 nan 8.370 nan 0.000 0.502 404 W N 2.472 123.637 121.300 -0.226 0.000 2.438 404 W HA 0.456 5.076 4.660 -0.067 0.000 0.324 404 W C 0.479 176.944 176.519 -0.091 0.000 1.119 404 W CA -0.648 56.596 57.345 -0.168 0.000 1.221 404 W CB 1.173 30.487 29.460 -0.243 0.000 1.253 404 W HN 0.109 nan 8.180 nan 0.000 0.555 405 I N 2.786 123.446 120.570 0.151 0.000 2.389 405 I HA 0.136 4.265 4.170 -0.067 0.000 0.288 405 I C 0.031 176.140 176.117 -0.012 0.000 0.999 405 I CA -1.087 60.184 61.300 -0.048 0.000 1.129 405 I CB 1.294 39.031 38.000 -0.439 0.000 1.288 405 I HN 0.301 nan 8.210 nan 0.000 0.444 406 Q N 4.606 124.448 119.800 0.070 0.000 2.274 406 Q HA 0.015 4.315 4.340 -0.067 0.000 0.280 406 Q C -0.419 175.596 176.000 0.025 0.000 1.047 406 Q CA 0.073 55.919 55.803 0.073 0.000 0.907 406 Q CB 0.768 29.561 28.738 0.091 0.000 1.171 406 Q HN 0.380 nan 8.270 nan 0.000 0.381 407 Q N 1.897 121.723 119.800 0.044 0.000 2.279 407 Q HA 0.039 4.339 4.340 -0.067 0.000 0.256 407 Q C -0.784 175.251 176.000 0.059 0.000 0.937 407 Q CA -0.066 55.776 55.803 0.065 0.000 0.933 407 Q CB 0.812 29.607 28.738 0.095 0.000 1.189 407 Q HN 0.388 nan 8.270 nan 0.000 0.417 408 D N 3.277 123.718 120.400 0.067 0.000 2.826 408 D HA 0.008 4.607 4.640 -0.067 0.000 0.247 408 D C -0.661 175.668 176.300 0.049 0.000 1.238 408 D CA 0.411 54.446 54.000 0.059 0.000 0.894 408 D CB -0.352 40.488 40.800 0.067 0.000 1.100 408 D HN 0.595 nan 8.370 nan 0.000 0.453 409 D N -2.574 117.852 120.400 0.044 0.000 3.710 409 D HA 0.312 4.911 4.640 -0.067 0.000 0.274 409 D C 0.723 177.040 176.300 0.028 0.000 1.572 409 D CA -0.330 53.692 54.000 0.036 0.000 0.782 409 D CB -0.223 40.604 40.800 0.044 0.000 1.393 409 D HN 0.158 nan 8.370 nan 0.000 0.671 410 G N 0.294 109.105 108.800 0.018 0.000 2.204 410 G HA2 0.273 4.192 3.960 -0.067 0.000 0.153 410 G HA3 0.273 4.192 3.960 -0.067 0.000 0.153 410 G C -0.197 174.697 174.900 -0.010 0.000 1.295 410 G CA -0.123 44.978 45.100 0.002 0.000 1.257 410 G HN 0.983 nan 8.290 nan 0.000 0.495 411 S N -0.199 115.490 115.700 -0.019 0.000 2.617 411 S HA 0.626 5.055 4.470 -0.067 0.000 0.259 411 S C 0.844 175.443 174.600 -0.003 0.000 1.301 411 S CA 0.452 58.624 58.200 -0.047 0.000 0.984 411 S CB 0.960 64.111 63.200 -0.082 0.000 0.954 411 S HN 2.063 nan 8.310 nan 0.000 0.572 412 V N -0.708 119.193 119.914 -0.022 0.000 2.863 412 V HA 0.534 4.614 4.120 -0.067 0.000 0.307 412 V C -0.030 176.173 176.094 0.182 0.000 1.061 412 V CA -0.747 61.611 62.300 0.096 0.000 1.024 412 V CB 0.834 32.766 31.823 0.181 0.000 1.049 412 V HN 0.980 nan 8.190 nan 0.000 0.471 413 H N 1.940 121.132 119.070 0.204 0.000 2.547 413 H HA 0.402 4.918 4.556 -0.067 0.000 0.342 413 H C -0.356 175.164 175.328 0.320 0.000 1.048 413 H CA -0.701 55.502 56.048 0.259 0.000 1.204 413 H CB 1.767 31.588 29.762 0.098 0.000 1.493 413 H HN 0.927 nan 8.280 nan 0.000 0.511 414 K N 2.768 123.463 120.400 0.491 0.000 2.448 414 K HA 0.094 4.374 4.320 -0.067 0.000 0.278 414 K C -0.244 176.355 176.600 -0.001 0.000 1.009 414 K CA -0.018 56.153 56.287 -0.194 0.000 0.995 414 K CB 0.415 32.625 32.500 -0.484 0.000 0.917 414 K HN 0.639 nan 8.250 nan 0.000 0.481 415 S N 4.012 119.628 115.700 -0.141 0.000 2.621 415 S HA 0.497 4.927 4.470 -0.067 0.000 0.302 415 S C -0.025 174.534 174.600 -0.068 0.000 1.093 415 S CA -1.074 57.118 58.200 -0.014 0.000 1.017 415 S CB 0.950 64.164 63.200 0.024 0.000 1.077 415 S HN 0.534 nan 8.310 nan 0.000 0.517 416 I N 2.499 123.057 120.570 -0.019 0.000 2.312 416 I HA 0.301 4.431 4.170 -0.067 0.000 0.291 416 I C -0.100 176.002 176.117 -0.025 0.000 1.031 416 I CA -0.333 60.947 61.300 -0.032 0.000 1.293 416 I CB 0.659 38.647 38.000 -0.020 0.000 1.403 416 I HN 0.709 nan 8.210 nan 0.000 0.484 417 N N 6.006 124.688 118.700 -0.031 0.000 2.844 417 N HA 0.222 4.922 4.740 -0.067 0.000 0.268 417 N C 0.578 176.088 175.510 0.000 0.000 1.574 417 N CA -0.473 52.569 53.050 -0.013 0.000 0.838 417 N CB 0.487 38.963 38.487 -0.019 0.000 1.177 417 N HN 0.351 nan 8.380 nan 0.000 0.495 418 R N -0.335 120.168 120.500 0.006 0.000 2.339 418 R HA -0.004 4.295 4.340 -0.067 0.000 0.199 418 R C 0.874 177.191 176.300 0.028 0.000 1.018 418 R CA 0.888 56.998 56.100 0.017 0.000 1.036 418 R CB -0.015 30.296 30.300 0.017 0.000 0.899 418 R HN 0.458 nan 8.270 nan 0.000 0.473 419 S N -0.219 115.499 115.700 0.030 0.000 2.634 419 S HA 0.141 4.571 4.470 -0.067 0.000 0.221 419 S C 0.492 175.120 174.600 0.047 0.000 0.952 419 S CA -0.405 57.819 58.200 0.039 0.000 0.930 419 S CB 0.100 63.325 63.200 0.042 0.000 0.780 419 S HN 0.192 nan 8.310 nan 0.000 0.498 420 L N 1.170 122.422 121.223 0.047 0.000 2.362 420 L HA 0.729 5.028 4.340 -0.067 0.000 0.271 420 L C -1.732 175.180 176.870 0.069 0.000 1.002 420 L CA -1.168 53.709 54.840 0.062 0.000 0.818 420 L CB 1.785 43.880 42.059 0.060 0.000 1.298 420 L HN 0.229 nan 8.230 nan 0.000 0.420 421 I N 4.911 125.532 120.570 0.085 0.000 2.586 421 I HA 0.269 4.399 4.170 -0.067 0.000 0.288 421 I C -0.796 175.386 176.117 0.108 0.000 1.147 421 I CA -0.774 60.580 61.300 0.090 0.000 1.047 421 I CB 2.150 40.199 38.000 0.082 0.000 1.244 421 I HN 0.175 nan 8.210 nan 0.000 0.429 422 V N 4.667 124.644 119.914 0.106 0.000 2.461 422 V HA 0.620 4.700 4.120 -0.067 0.000 0.275 422 V C 0.842 176.998 176.094 0.103 0.000 1.047 422 V CA -0.002 62.365 62.300 0.112 0.000 0.955 422 V CB 0.760 32.639 31.823 0.093 0.000 0.988 422 V HN 1.099 nan 8.190 nan 0.000 0.471 423 G N 4.557 113.428 108.800 0.118 0.000 2.956 423 G HA2 -0.090 3.830 3.960 -0.067 0.000 0.263 423 G HA3 -0.090 3.830 3.960 -0.067 0.000 0.263 423 G C -1.137 173.816 174.900 0.089 0.000 1.090 423 G CA -0.650 44.505 45.100 0.093 0.000 1.185 423 G HN 0.484 nan 8.290 nan 0.000 0.566 424 L N 1.019 122.317 121.223 0.125 0.000 2.333 424 L HA 0.723 5.022 4.340 -0.067 0.000 0.269 424 L C 1.218 178.163 176.870 0.125 0.000 1.010 424 L CA -1.102 53.805 54.840 0.112 0.000 0.818 424 L CB 1.412 43.547 42.059 0.128 0.000 1.306 424 L HN 0.363 nan 8.230 nan 0.000 0.430 425 K N 2.316 122.728 120.400 0.021 0.000 3.196 425 K HA -0.219 4.061 4.320 -0.067 0.000 0.261 425 K C -0.141 176.478 176.600 0.031 0.000 0.872 425 K CA 0.689 56.956 56.287 -0.034 0.000 0.645 425 K CB -1.836 30.534 32.500 -0.217 0.000 1.433 425 K HN 0.480 nan 8.250 nan 0.000 0.471 426 I N 1.790 122.342 120.570 -0.031 0.000 3.022 426 I HA -0.179 3.951 4.170 -0.067 0.000 0.290 426 I C 0.946 176.944 176.117 -0.199 0.000 1.212 426 I CA 0.705 61.900 61.300 -0.175 0.000 1.377 426 I CB -0.282 37.524 38.000 -0.322 0.000 1.417 426 I HN 0.196 nan 8.210 nan 0.000 0.540 427 S N 3.829 119.393 115.700 -0.227 0.000 2.634 427 S HA 0.841 5.270 4.470 -0.067 0.000 0.296 427 S C -0.357 174.061 174.600 -0.303 0.000 1.104 427 S CA -0.829 57.181 58.200 -0.317 0.000 0.920 427 S CB 2.634 65.542 63.200 -0.487 0.000 1.111 427 S HN 0.620 nan 8.310 nan 0.000 0.493 428 T N -0.223 114.156 114.554 -0.292 0.000 2.830 428 T HA 0.404 4.714 4.350 -0.067 0.000 0.322 428 T C -1.315 173.414 174.700 0.049 0.000 1.501 428 T CA -0.802 61.266 62.100 -0.054 0.000 1.036 428 T CB 1.421 70.213 68.868 -0.128 0.000 1.379 428 T HN 0.849 nan 8.240 nan 0.000 0.493 429 K N 1.760 122.345 120.400 0.307 0.000 2.494 429 K HA 0.282 4.561 4.320 -0.067 0.000 0.273 429 K C -0.097 176.569 176.600 0.110 0.000 0.970 429 K CA 0.019 56.482 56.287 0.294 0.000 0.963 429 K CB 0.205 32.822 32.500 0.195 0.000 0.913 429 K HN 0.579 nan 8.250 nan 0.000 0.502 430 S N 1.442 117.192 115.700 0.083 0.000 2.584 430 S HA 0.065 4.494 4.470 -0.067 0.000 0.273 430 S C -0.584 173.988 174.600 -0.046 0.000 1.311 430 S CA -0.871 57.340 58.200 0.019 0.000 1.034 430 S CB 1.473 64.685 63.200 0.021 0.000 0.939 430 S HN 0.510 nan 8.310 nan 0.000 0.513 431 V N 3.448 123.314 119.914 -0.080 0.000 2.421 431 V HA 0.517 4.597 4.120 -0.067 0.000 0.271 431 V C 1.094 177.099 176.094 -0.149 0.000 1.031 431 V CA 1.032 63.210 62.300 -0.204 0.000 1.032 431 V CB -0.477 31.211 31.823 -0.225 0.000 1.009 431 V HN 1.259 nan 8.190 nan 0.000 0.477 432 G N 5.453 114.155 108.800 -0.163 0.000 2.179 432 G HA2 -0.239 3.681 3.960 -0.067 0.000 0.260 432 G HA3 -0.239 3.681 3.960 -0.067 0.000 0.260 432 G C 0.318 175.176 174.900 -0.070 0.000 0.977 432 G CA 0.609 45.643 45.100 -0.110 0.000 0.641 432 G HN 0.887 nan 8.290 nan 0.000 0.533 433 R N -1.317 119.149 120.500 -0.057 0.000 2.885 433 R HA 0.575 4.875 4.340 -0.067 0.000 0.260 433 R C -0.403 175.904 176.300 0.012 0.000 1.107 433 R CA -0.714 55.378 56.100 -0.012 0.000 0.978 433 R CB 0.563 30.868 30.300 0.008 0.000 1.227 433 R HN -0.038 nan 8.270 nan 0.000 0.473 434 D N 0.696 121.153 120.400 0.095 0.000 2.360 434 D HA 0.001 4.600 4.640 -0.067 0.000 0.210 434 D C -0.172 176.344 176.300 0.359 0.000 1.047 434 D CA 0.538 54.697 54.000 0.264 0.000 0.854 434 D CB 0.416 41.429 40.800 0.354 0.000 0.936 434 D HN 0.292 nan 8.370 nan 0.000 0.514 435 E N 0.752 121.062 120.200 0.183 0.000 2.397 435 E HA 0.072 4.382 4.350 -0.067 0.000 0.254 435 E C 0.552 177.241 176.600 0.148 0.000 1.231 435 E CA -0.334 56.143 56.400 0.129 0.000 0.954 435 E CB 1.127 30.855 29.700 0.046 0.000 1.024 435 E HN 0.063 nan 8.360 nan 0.000 0.481 436 R N 0.328 120.849 120.500 0.035 0.000 2.428 436 R HA 0.175 4.474 4.340 -0.067 0.000 0.294 436 R C -0.459 175.746 176.300 -0.158 0.000 1.000 436 R CA -0.321 55.697 56.100 -0.137 0.000 0.960 436 R CB 0.985 31.043 30.300 -0.404 0.000 1.076 436 R HN 0.588 nan 8.270 nan 0.000 0.475 437 E N 3.368 123.460 120.200 -0.180 0.000 2.145 437 E HA 0.038 4.347 4.350 -0.067 0.000 0.262 437 E C -1.301 175.214 176.600 -0.142 0.000 0.883 437 E CA -0.627 55.707 56.400 -0.111 0.000 0.748 437 E CB 1.150 30.826 29.700 -0.040 0.000 1.140 437 E HN 0.569 nan 8.360 nan 0.000 0.417 438 D N 5.422 125.758 120.400 -0.107 0.000 2.339 438 D HA 0.045 4.645 4.640 -0.067 0.000 0.256 438 D C 0.673 176.998 176.300 0.042 0.000 1.214 438 D CA -0.132 53.821 54.000 -0.079 0.000 0.877 438 D CB 0.520 41.281 40.800 -0.065 0.000 1.111 438 D HN 0.583 nan 8.370 nan 0.000 0.478 439 I N 1.032 121.593 120.570 -0.014 0.000 3.816 439 I HA 0.135 4.265 4.170 -0.067 0.000 0.334 439 I C 0.976 177.074 176.117 -0.032 0.000 1.551 439 I CA -0.607 60.687 61.300 -0.011 0.000 1.153 439 I CB 0.275 38.212 38.000 -0.105 0.000 1.197 439 I HN 0.014 nan 8.210 nan 0.000 0.439 440 T N 1.218 115.795 114.554 0.038 0.000 2.915 440 T HA -0.157 4.153 4.350 -0.067 0.000 0.269 440 T C 1.872 176.624 174.700 0.087 0.000 1.071 440 T CA 1.984 64.101 62.100 0.029 0.000 1.132 440 T CB -0.549 68.339 68.868 0.034 0.000 0.878 440 T HN 0.649 nan 8.240 nan 0.000 0.479 441 H N 1.176 120.268 119.070 0.036 0.000 2.521 441 H HA 0.026 4.542 4.556 -0.067 0.000 0.286 441 H C 1.993 177.328 175.328 0.012 0.000 1.034 441 H CA 1.537 57.596 56.048 0.019 0.000 1.278 441 H CB -0.826 28.943 29.762 0.011 0.000 1.386 441 H HN 0.483 nan 8.280 nan 0.000 0.567 442 T N -3.146 111.156 114.554 -0.420 0.000 3.100 442 T HA -0.001 4.308 4.350 -0.067 0.000 0.253 442 T C 1.151 175.786 174.700 -0.109 0.000 1.118 442 T CA 0.096 62.022 62.100 -0.289 0.000 1.058 442 T CB -0.392 68.315 68.868 -0.268 0.000 0.953 442 T HN 0.256 nan 8.240 nan 0.000 0.515 443 Y N 1.378 121.589 120.300 -0.148 0.000 2.581 443 Y HA 0.473 4.983 4.550 -0.067 0.000 0.271 443 Y C 0.755 176.601 175.900 -0.091 0.000 1.100 443 Y CA -0.413 57.644 58.100 -0.071 0.000 1.281 443 Y CB 0.696 39.157 38.460 0.001 0.000 1.237 443 Y HN 0.153 nan 8.280 nan 0.000 0.514 444 K N -0.659 119.773 120.400 0.054 0.000 2.422 444 K HA 0.389 4.668 4.320 -0.067 0.000 0.251 444 K C -1.777 174.789 176.600 -0.057 0.000 0.933 444 K CA -0.874 55.418 56.287 0.009 0.000 0.798 444 K CB 1.931 34.481 32.500 0.084 0.000 1.238 444 K HN -0.219 nan 8.250 nan 0.000 0.428 445 Y N 1.397 121.700 120.300 0.006 0.000 2.300 445 Y HA 0.189 4.698 4.550 -0.067 0.000 0.328 445 Y C -1.874 174.027 175.900 0.002 0.000 1.270 445 Y CA -1.781 56.321 58.100 0.002 0.000 1.352 445 Y CB 0.178 38.609 38.460 -0.048 0.000 1.286 445 Y HN 0.419 nan 8.280 nan 0.000 0.536 446 P HA -0.016 nan 4.420 nan 0.000 0.267 446 P C -0.827 176.529 177.300 0.094 0.000 1.200 446 P CA 0.047 63.220 63.100 0.122 0.000 0.772 446 P CB 0.443 32.206 31.700 0.105 0.000 0.855 447 E N 0.975 121.225 120.200 0.085 0.000 2.404 447 E HA 0.227 4.537 4.350 -0.067 0.000 0.261 447 E C 1.329 177.967 176.600 0.063 0.000 1.074 447 E CA 0.670 57.121 56.400 0.085 0.000 0.917 447 E CB -0.012 29.748 29.700 0.099 0.000 0.965 447 E HN 0.737 nan 8.360 nan 0.000 0.433 448 G N 2.222 111.059 108.800 0.062 0.000 2.900 448 G HA2 -0.401 3.518 3.960 -0.067 0.000 0.223 448 G HA3 -0.401 3.518 3.960 -0.067 0.000 0.223 448 G C 0.579 175.490 174.900 0.020 0.000 1.293 448 G CA 0.311 45.438 45.100 0.044 0.000 0.792 448 G HN 0.883 nan 8.290 nan 0.000 0.527 449 S N 0.914 116.620 115.700 0.012 0.000 2.548 449 S HA 0.288 4.718 4.470 -0.067 0.000 0.266 449 S C 1.832 176.398 174.600 -0.056 0.000 1.374 449 S CA 1.556 59.746 58.200 -0.017 0.000 0.997 449 S CB 0.895 64.089 63.200 -0.010 0.000 0.855 449 S HN 2.087 nan 8.310 nan 0.000 0.534 450 S N 0.686 116.337 115.700 -0.081 0.000 2.395 450 S HA -0.060 4.370 4.470 -0.067 0.000 0.225 450 S C 1.404 175.894 174.600 -0.184 0.000 1.027 450 S CA 0.772 58.913 58.200 -0.098 0.000 0.965 450 S CB -0.824 62.327 63.200 -0.080 0.000 0.812 450 S HN 0.803 nan 8.310 nan 0.000 0.482 451 E N 1.786 121.799 120.200 -0.312 0.000 2.153 451 E HA -0.096 4.213 4.350 -0.067 0.000 0.194 451 E C 1.958 178.216 176.600 -0.570 0.000 0.988 451 E CA 1.234 57.249 56.400 -0.642 0.000 0.811 451 E CB -0.274 28.675 29.700 -1.251 0.000 0.746 451 E HN 0.775 nan 8.360 nan 0.000 0.466 452 E N 0.657 120.661 120.200 -0.327 0.000 2.107 452 E HA -0.171 4.139 4.350 -0.067 0.000 0.191 452 E C 2.145 178.551 176.600 -0.324 0.000 0.982 452 E CA 0.610 56.831 56.400 -0.300 0.000 0.809 452 E CB 0.092 29.661 29.700 -0.219 0.000 0.756 452 E HN 0.107 nan 8.360 nan 0.000 0.459 453 R N 0.670 121.084 120.500 -0.143 0.000 2.062 453 R HA -0.137 4.163 4.340 -0.067 0.000 0.229 453 R C 2.324 178.630 176.300 0.009 0.000 1.128 453 R CA 1.775 57.868 56.100 -0.011 0.000 0.960 453 R CB -0.090 30.214 30.300 0.007 0.000 0.855 453 R HN 0.239 nan 8.270 nan 0.000 0.432 454 E N -0.498 119.670 120.200 -0.053 0.000 2.338 454 E HA -0.099 4.211 4.350 -0.067 0.000 0.197 454 E C 1.542 178.151 176.600 0.016 0.000 1.007 454 E CA 0.977 57.362 56.400 -0.024 0.000 0.849 454 E CB -0.007 29.655 29.700 -0.063 0.000 0.774 454 E HN 0.370 nan 8.360 nan 0.000 0.506 455 A N 1.307 124.128 122.820 0.001 0.000 1.878 455 A HA 0.075 4.355 4.320 -0.067 0.000 0.213 455 A C 1.849 179.597 177.584 0.273 0.000 1.192 455 A CA 0.477 52.583 52.037 0.114 0.000 0.619 455 A CB -0.840 18.242 19.000 0.137 0.000 0.837 455 A HN 0.361 nan 8.150 nan 0.000 0.446 456 F N 0.508 120.591 119.950 0.221 0.000 2.722 456 F HA -0.094 4.393 4.527 -0.067 0.000 0.298 456 F C 2.116 177.996 175.800 0.133 0.000 1.175 456 F CA 0.693 58.850 58.000 0.261 0.000 1.462 456 F CB 0.064 39.214 39.000 0.251 0.000 1.111 456 F HN 0.203 nan 8.300 nan 0.000 0.592 457 T N -0.987 113.716 114.554 0.248 0.000 2.983 457 T HA -0.009 4.301 4.350 -0.067 0.000 0.250 457 T C 1.900 176.642 174.700 0.070 0.000 1.037 457 T CA 0.274 62.452 62.100 0.130 0.000 1.142 457 T CB 0.008 68.926 68.868 0.085 0.000 0.876 457 T HN 0.119 nan 8.240 nan 0.000 0.455 458 R N 1.631 122.166 120.500 0.057 0.000 2.328 458 R HA 0.229 4.528 4.340 -0.067 0.000 0.207 458 R C 1.699 177.960 176.300 -0.065 0.000 1.056 458 R CA 0.668 56.770 56.100 0.003 0.000 1.016 458 R CB -0.341 29.967 30.300 0.013 0.000 0.872 458 R HN 0.362 nan 8.270 nan 0.000 0.471 459 A N 0.634 123.420 122.820 -0.057 0.000 2.469 459 A HA 0.119 4.399 4.320 -0.067 0.000 0.245 459 A C 0.176 177.730 177.584 -0.050 0.000 1.221 459 A CA -0.396 51.524 52.037 -0.195 0.000 0.946 459 A CB 0.233 18.932 19.000 -0.500 0.000 1.049 459 A HN 0.233 nan 8.150 nan 0.000 0.529 460 N N -0.266 118.454 118.700 0.032 0.000 2.714 460 N HA -0.235 4.464 4.740 -0.067 0.000 0.250 460 N C 0.048 175.612 175.510 0.090 0.000 1.117 460 N CA 1.349 54.425 53.050 0.044 0.000 0.719 460 N CB -1.632 36.858 38.487 0.004 0.000 1.081 460 N HN 0.790 nan 8.380 nan 0.000 0.557 461 H N 0.438 119.518 119.070 0.016 0.000 2.550 461 H HA 0.351 4.867 4.556 -0.067 0.000 0.304 461 H C 0.954 176.232 175.328 -0.084 0.000 1.086 461 H CA -0.202 55.815 56.048 -0.053 0.000 1.089 461 H CB -0.303 29.426 29.762 -0.054 0.000 1.528 461 H HN 0.236 nan 8.280 nan 0.000 0.539 462 L N 1.072 122.261 121.223 -0.056 0.000 2.930 462 L HA 0.065 4.365 4.340 -0.067 0.000 0.250 462 L C -0.181 176.608 176.870 -0.136 0.000 1.320 462 L CA -0.036 54.783 54.840 -0.036 0.000 1.163 462 L CB -0.486 41.598 42.059 0.041 0.000 1.542 462 L HN 0.347 nan 8.230 nan 0.000 0.428 463 N N 2.830 121.323 118.700 -0.345 0.000 2.955 463 N HA 0.192 4.891 4.740 -0.067 0.000 0.242 463 N C -0.432 174.914 175.510 -0.274 0.000 1.123 463 N CA -0.200 52.684 53.050 -0.277 0.000 0.949 463 N CB 0.654 38.960 38.487 -0.301 0.000 1.214 463 N HN 0.339 nan 8.380 nan 0.000 0.504 464 K N -0.028 120.297 120.400 -0.125 0.000 2.889 464 K HA 0.184 4.464 4.320 -0.067 0.000 0.252 464 K C -1.272 175.330 176.600 0.004 0.000 1.308 464 K CA -0.473 55.783 56.287 -0.051 0.000 0.952 464 K CB 0.301 32.804 32.500 0.004 0.000 1.341 464 K HN -0.012 nan 8.250 nan 0.000 0.548 465 L N 2.288 123.508 121.223 -0.005 0.000 2.839 465 L HA 0.425 4.725 4.340 -0.067 0.000 0.259 465 L C 0.231 177.106 176.870 0.009 0.000 1.369 465 L CA -0.272 54.573 54.840 0.010 0.000 0.845 465 L CB 0.303 42.366 42.059 0.007 0.000 1.181 465 L HN 0.845 nan 8.230 nan 0.000 0.529 466 A N 0.744 123.572 122.820 0.013 0.000 2.627 466 A HA -0.155 4.125 4.320 -0.067 0.000 0.227 466 A C 0.872 178.462 177.584 0.010 0.000 1.068 466 A CA 0.679 52.723 52.037 0.011 0.000 0.825 466 A CB -0.026 18.988 19.000 0.023 0.000 0.938 466 A HN 0.594 nan 8.150 nan 0.000 0.488 467 E N 1.015 121.217 120.200 0.004 0.000 2.261 467 E HA 0.039 4.348 4.350 -0.067 0.000 0.308 467 E C 0.727 177.335 176.600 0.012 0.000 1.400 467 E CA -0.331 56.074 56.400 0.007 0.000 1.542 467 E CB 0.157 29.858 29.700 0.000 0.000 1.369 467 E HN 0.561 nan 8.360 nan 0.000 0.493 468 K N 1.869 122.280 120.400 0.017 0.000 2.633 468 K HA -0.146 4.133 4.320 -0.067 0.000 0.193 468 K C 1.278 177.891 176.600 0.021 0.000 1.033 468 K CA 0.726 57.025 56.287 0.020 0.000 0.980 468 K CB 0.268 32.781 32.500 0.023 0.000 0.800 468 K HN 0.388 nan 8.250 nan 0.000 0.493 469 E N 0.899 121.110 120.200 0.020 0.000 2.162 469 E HA -0.100 4.210 4.350 -0.067 0.000 0.193 469 E C 0.263 176.874 176.600 0.019 0.000 0.953 469 E CA 0.664 57.078 56.400 0.022 0.000 0.849 469 E CB -0.453 29.261 29.700 0.024 0.000 0.810 469 E HN 0.387 nan 8.360 nan 0.000 0.470 470 E N 0.946 121.153 120.200 0.012 0.000 5.391 470 E HA -0.277 4.032 4.350 -0.067 0.000 0.186 470 E C 0.015 176.613 176.600 -0.003 0.000 1.508 470 E CA 1.655 58.055 56.400 -0.000 0.000 2.573 470 E CB -1.615 28.081 29.700 -0.006 0.000 2.040 470 E HN 0.304 nan 8.360 nan 0.000 0.432 471 T N -2.706 111.830 114.554 -0.031 0.000 3.374 471 T HA 0.557 4.867 4.350 -0.067 0.000 0.267 471 T C 1.127 175.797 174.700 -0.049 0.000 0.996 471 T CA 0.462 62.541 62.100 -0.034 0.000 0.977 471 T CB -0.305 68.519 68.868 -0.073 0.000 1.149 471 T HN 1.757 nan 8.240 nan 0.000 0.517 472 G N 1.615 110.406 108.800 -0.015 0.000 2.155 472 G HA2 -0.231 3.688 3.960 -0.067 0.000 0.257 472 G HA3 -0.231 3.688 3.960 -0.067 0.000 0.257 472 G C -0.100 174.776 174.900 -0.040 0.000 0.983 472 G CA 0.580 45.682 45.100 0.003 0.000 0.676 472 G HN 0.646 nan 8.290 nan 0.000 0.528 473 M N -0.401 119.146 119.600 -0.089 0.000 2.518 473 M HA 0.691 5.130 4.480 -0.067 0.000 0.300 473 M C -0.215 176.047 176.300 -0.062 0.000 1.175 473 M CA -0.255 54.983 55.300 -0.104 0.000 0.890 473 M CB 2.544 35.014 32.600 -0.218 0.000 1.710 473 M HN 0.655 nan 8.290 nan 0.000 0.453 474 A N 2.772 125.570 122.820 -0.037 0.000 2.515 474 A HA 0.992 5.271 4.320 -0.067 0.000 0.296 474 A C -1.595 175.989 177.584 0.000 0.000 1.094 474 A CA -0.707 51.325 52.037 -0.008 0.000 0.718 474 A CB 2.576 21.588 19.000 0.020 0.000 1.307 474 A HN 0.937 nan 8.150 nan 0.000 0.408 475 M N 1.554 121.165 119.600 0.018 0.000 2.413 475 M HA 0.635 5.075 4.480 -0.067 0.000 0.287 475 M C -1.457 174.881 176.300 0.063 0.000 1.186 475 M CA -0.411 54.912 55.300 0.038 0.000 0.927 475 M CB 1.968 34.576 32.600 0.012 0.000 1.715 475 M HN 0.975 nan 8.290 nan 0.000 0.478 476 R N 3.617 124.178 120.500 0.101 0.000 2.710 476 R HA 0.615 4.915 4.340 -0.067 0.000 0.270 476 R C -1.776 174.599 176.300 0.125 0.000 1.021 476 R CA -1.004 55.154 56.100 0.097 0.000 0.889 476 R CB 1.198 31.549 30.300 0.086 0.000 1.243 476 R HN 0.545 nan 8.270 nan 0.000 0.464 477 I N 2.283 122.916 120.570 0.107 0.000 2.331 477 I HA 0.400 4.530 4.170 -0.067 0.000 0.292 477 I C 0.299 176.493 176.117 0.129 0.000 0.998 477 I CA -0.626 60.750 61.300 0.127 0.000 1.267 477 I CB 0.983 39.044 38.000 0.102 0.000 1.386 477 I HN 0.521 nan 8.210 nan 0.000 0.476 478 R N 4.111 124.722 120.500 0.185 0.000 2.664 478 R HA 0.515 4.815 4.340 -0.067 0.000 0.286 478 R C 0.724 177.188 176.300 0.273 0.000 0.967 478 R CA -0.610 55.589 56.100 0.165 0.000 0.933 478 R CB 2.455 32.810 30.300 0.092 0.000 1.146 478 R HN 0.573 nan 8.270 nan 0.000 0.468 479 V N -1.206 118.822 119.914 0.189 0.000 3.605 479 V HA 0.348 4.428 4.120 -0.067 0.000 0.284 479 V C 0.996 177.235 176.094 0.241 0.000 1.386 479 V CA 0.858 63.279 62.300 0.202 0.000 1.053 479 V CB 0.010 31.860 31.823 0.046 0.000 0.857 479 V HN 1.118 nan 8.190 nan 0.000 0.436 480 G N 1.316 110.217 108.800 0.168 0.000 4.766 480 G HA2 -0.334 3.586 3.960 -0.067 0.000 0.314 480 G HA3 -0.334 3.586 3.960 -0.067 0.000 0.314 480 G C 0.343 175.270 174.900 0.044 0.000 1.427 480 G CA 0.931 46.084 45.100 0.089 0.000 1.024 480 G HN 1.180 nan 8.290 nan 0.000 0.754 481 Q N 0.785 120.614 119.800 0.050 0.000 2.892 481 Q HA 0.669 4.969 4.340 -0.067 0.000 0.307 481 Q C -0.079 175.883 176.000 -0.063 0.000 1.039 481 Q CA 0.310 56.115 55.803 0.003 0.000 0.792 481 Q CB 0.918 29.663 28.738 0.011 0.000 1.504 481 Q HN 1.090 nan 8.270 nan 0.000 0.487 482 S N 1.429 117.074 115.700 -0.092 0.000 2.533 482 S HA 0.404 4.834 4.470 -0.067 0.000 0.282 482 S C 0.341 174.795 174.600 -0.244 0.000 1.304 482 S CA -0.513 57.556 58.200 -0.218 0.000 1.063 482 S CB -0.223 62.902 63.200 -0.126 0.000 0.881 482 S HN 0.512 nan 8.310 nan 0.000 0.493 483 M N 3.521 122.866 119.600 -0.425 0.000 2.364 483 M HA 0.584 5.024 4.480 -0.067 0.000 0.334 483 M C -1.323 174.714 176.300 -0.438 0.000 1.107 483 M CA -0.627 54.377 55.300 -0.493 0.000 0.988 483 M CB 0.680 32.596 32.600 -1.140 0.000 1.673 483 M HN 0.428 nan 8.290 nan 0.000 0.441 484 N N 2.704 121.258 118.700 -0.244 0.000 2.466 484 N HA 0.469 5.169 4.740 -0.067 0.000 0.294 484 N C -0.343 175.109 175.510 -0.097 0.000 1.129 484 N CA -0.677 52.270 53.050 -0.172 0.000 0.931 484 N CB 0.924 39.357 38.487 -0.091 0.000 1.193 484 N HN 0.682 nan 8.380 nan 0.000 0.500 485 M N 1.895 121.438 119.600 -0.095 0.000 2.364 485 M HA 0.162 4.602 4.480 -0.067 0.000 0.342 485 M C 0.732 177.062 176.300 0.050 0.000 1.601 485 M CA 0.764 56.077 55.300 0.023 0.000 1.156 485 M CB -1.128 31.459 32.600 -0.020 0.000 1.912 485 M HN 0.934 nan 8.290 nan 0.000 0.460 486 G N 2.874 111.756 108.800 0.137 0.000 2.227 486 G HA2 -0.169 3.751 3.960 -0.067 0.000 0.168 486 G HA3 -0.169 3.751 3.960 -0.067 0.000 0.168 486 G C -0.042 174.654 174.900 -0.340 0.000 1.006 486 G CA 0.242 45.141 45.100 -0.336 0.000 0.684 486 G HN 0.958 nan 8.290 nan 0.000 0.489 487 S N -0.445 115.305 115.700 0.084 0.000 2.810 487 S HA 0.819 5.249 4.470 -0.067 0.000 0.315 487 S C -1.160 173.651 174.600 0.352 0.000 1.138 487 S CA -0.611 57.668 58.200 0.132 0.000 0.889 487 S CB 2.602 65.865 63.200 0.106 0.000 1.236 487 S HN 0.051 nan 8.310 nan 0.000 0.548 488 D N 0.457 120.993 120.400 0.227 0.000 2.268 488 D HA 0.763 5.362 4.640 -0.067 0.000 0.249 488 D C -0.532 175.897 176.300 0.215 0.000 1.008 488 D CA 0.018 54.096 54.000 0.129 0.000 0.939 488 D CB 1.343 42.156 40.800 0.022 0.000 1.170 488 D HN 0.617 nan 8.370 nan 0.000 0.468 489 F N -1.902 118.072 119.950 0.040 0.000 2.807 489 F HA 0.429 4.915 4.527 -0.067 0.000 0.316 489 F C -1.677 174.090 175.800 -0.055 0.000 1.162 489 F CA -1.125 56.875 58.000 -0.000 0.000 0.910 489 F CB 1.132 40.128 39.000 -0.007 0.000 1.314 489 F HN -0.099 nan 8.300 nan 0.000 0.454 490 D N 1.377 121.841 120.400 0.105 0.000 2.342 490 D HA 0.650 5.249 4.640 -0.067 0.000 0.243 490 D C -0.842 175.323 176.300 -0.225 0.000 1.019 490 D CA -0.251 53.622 54.000 -0.211 0.000 0.864 490 D CB 2.458 43.032 40.800 -0.377 0.000 1.315 490 D HN 0.723 nan 8.370 nan 0.000 0.468 491 V N -1.205 118.443 119.914 -0.444 0.000 2.823 491 V HA 0.773 4.853 4.120 -0.067 0.000 0.312 491 V C -0.932 174.835 176.094 -0.545 0.000 1.072 491 V CA -0.869 61.294 62.300 -0.230 0.000 0.937 491 V CB 1.506 33.332 31.823 0.005 0.000 1.013 491 V HN 0.286 nan 8.190 nan 0.000 0.430 492 F N 0.964 120.965 119.950 0.084 0.000 2.563 492 F HA 0.863 5.349 4.527 -0.067 0.000 0.316 492 F C 0.464 176.323 175.800 0.097 0.000 1.076 492 F CA -0.875 57.178 58.000 0.088 0.000 0.921 492 F CB 2.153 41.217 39.000 0.106 0.000 1.209 492 F HN 0.804 nan 8.300 nan 0.000 0.462 493 A N 1.172 124.142 122.820 0.250 0.000 2.294 493 A HA 0.417 4.697 4.320 -0.067 0.000 0.316 493 A C -1.237 176.461 177.584 0.191 0.000 1.359 493 A CA -0.348 51.793 52.037 0.174 0.000 0.956 493 A CB -0.615 18.447 19.000 0.104 0.000 1.155 493 A HN 0.800 nan 8.150 nan 0.000 0.544 494 H N 2.591 121.723 119.070 0.102 0.000 2.705 494 H HA 0.524 5.040 4.556 -0.067 0.000 0.291 494 H C -0.551 174.803 175.328 0.042 0.000 1.085 494 H CA -0.118 55.972 56.048 0.070 0.000 1.357 494 H CB 0.202 29.996 29.762 0.053 0.000 1.419 494 H HN 0.566 nan 8.280 nan 0.000 0.462 495 I N 4.787 125.222 120.570 -0.225 0.000 2.336 495 I HA 0.209 4.339 4.170 -0.067 0.000 0.292 495 I C -0.033 175.976 176.117 -0.180 0.000 0.991 495 I CA -0.383 60.833 61.300 -0.140 0.000 1.227 495 I CB 1.601 39.539 38.000 -0.102 0.000 1.366 495 I HN 0.517 nan 8.210 nan 0.000 0.466 496 T N 4.394 118.906 114.554 -0.071 0.000 2.797 496 T HA 0.284 4.594 4.350 -0.067 0.000 0.279 496 T C -0.258 174.433 174.700 -0.014 0.000 0.991 496 T CA -0.632 61.455 62.100 -0.022 0.000 0.979 496 T CB 1.091 69.989 68.868 0.050 0.000 0.943 496 T HN 0.521 nan 8.240 nan 0.000 0.444 497 N N 2.603 121.309 118.700 0.009 0.000 2.746 497 N HA 0.173 4.872 4.740 -0.067 0.000 0.250 497 N C -0.935 174.601 175.510 0.043 0.000 1.146 497 N CA -0.584 52.474 53.050 0.013 0.000 0.828 497 N CB 0.417 38.917 38.487 0.022 0.000 1.158 497 N HN 0.397 nan 8.380 nan 0.000 0.519 498 N N 2.141 120.886 118.700 0.076 0.000 3.188 498 N HA 0.281 4.980 4.740 -0.067 0.000 0.279 498 N C -1.369 174.159 175.510 0.029 0.000 1.213 498 N CA 0.133 53.295 53.050 0.187 0.000 1.138 498 N CB 0.204 38.824 38.487 0.222 0.000 1.417 498 N HN 0.380 nan 8.380 nan 0.000 0.526 499 T N -0.589 113.736 114.554 -0.381 0.000 2.868 499 T HA 0.471 4.781 4.350 -0.067 0.000 0.306 499 T C 0.894 174.987 174.700 -1.011 0.000 1.224 499 T CA -0.348 61.462 62.100 -0.483 0.000 1.012 499 T CB 1.450 70.283 68.868 -0.058 0.000 1.221 499 T HN 0.175 nan 8.240 nan 0.000 0.499 500 A N 0.724 123.145 122.820 -0.665 0.000 1.968 500 A HA 0.080 4.359 4.320 -0.067 0.000 0.217 500 A C 0.902 178.262 177.584 -0.374 0.000 1.169 500 A CA 0.968 52.712 52.037 -0.488 0.000 0.638 500 A CB -0.263 18.639 19.000 -0.164 0.000 0.812 500 A HN 0.708 nan 8.150 nan 0.000 0.446 501 E N 1.086 121.054 120.200 -0.388 0.000 2.392 501 E HA 0.126 4.436 4.350 -0.067 0.000 0.264 501 E C -0.265 176.028 176.600 -0.512 0.000 1.024 501 E CA 0.115 56.200 56.400 -0.525 0.000 0.903 501 E CB 0.353 29.517 29.700 -0.893 0.000 0.963 501 E HN 0.726 nan 8.360 nan 0.000 0.432 502 E N 2.710 122.664 120.200 -0.408 0.000 2.561 502 E HA 0.184 4.494 4.350 -0.067 0.000 0.225 502 E C -0.819 175.669 176.600 -0.186 0.000 1.035 502 E CA -0.569 55.700 56.400 -0.219 0.000 0.904 502 E CB -0.106 29.517 29.700 -0.127 0.000 1.291 502 E HN 0.280 nan 8.360 nan 0.000 0.444 503 Y N 0.882 121.131 120.300 -0.084 0.000 2.469 503 Y HA 0.123 4.633 4.550 -0.067 0.000 0.353 503 Y C 0.796 176.656 175.900 -0.066 0.000 1.269 503 Y CA -0.516 57.538 58.100 -0.077 0.000 1.504 503 Y CB 0.537 38.946 38.460 -0.086 0.000 1.369 503 Y HN 0.311 nan 8.280 nan 0.000 0.654 504 V N -1.140 118.851 119.914 0.128 0.000 2.524 504 V HA 0.603 4.683 4.120 -0.067 0.000 0.297 504 V C -0.648 175.456 176.094 0.016 0.000 1.035 504 V CA -1.239 61.086 62.300 0.043 0.000 0.867 504 V CB 0.349 32.181 31.823 0.014 0.000 1.004 504 V HN 0.898 nan 8.190 nan 0.000 0.426 505 C N 3.464 122.754 119.300 -0.016 0.000 3.017 505 C HA 0.810 5.230 4.460 -0.067 0.000 0.380 505 C C 0.140 175.090 174.990 -0.066 0.000 1.583 505 C CA -0.927 58.053 59.018 -0.064 0.000 1.616 505 C CB 2.002 29.685 27.740 -0.095 0.000 2.145 505 C HN 0.963 nan 8.230 nan 0.000 0.466 506 R N 0.614 121.053 120.500 -0.102 0.000 2.435 506 R HA 0.609 4.908 4.340 -0.067 0.000 0.308 506 R C -1.551 174.679 176.300 -0.116 0.000 0.975 506 R CA -0.288 55.748 56.100 -0.107 0.000 0.867 506 R CB 1.280 31.491 30.300 -0.148 0.000 1.171 506 R HN 0.506 nan 8.270 nan 0.000 0.470 507 L N 4.456 125.639 121.223 -0.067 0.000 2.287 507 L HA 0.460 4.760 4.340 -0.067 0.000 0.287 507 L C -1.431 175.431 176.870 -0.015 0.000 1.022 507 L CA -0.566 54.248 54.840 -0.043 0.000 0.814 507 L CB 1.141 43.197 42.059 -0.004 0.000 1.217 507 L HN 0.403 nan 8.230 nan 0.000 0.420 508 L N 6.574 127.758 121.223 -0.065 0.000 2.287 508 L HA 0.493 4.792 4.340 -0.067 0.000 0.287 508 L C -0.718 176.248 176.870 0.159 0.000 1.022 508 L CA -0.554 54.256 54.840 -0.050 0.000 0.814 508 L CB 1.197 42.994 42.059 -0.437 0.000 1.217 508 L HN 0.500 nan 8.230 nan 0.000 0.420 509 L N 3.745 125.202 121.223 0.390 0.000 2.325 509 L HA 0.523 4.823 4.340 -0.067 0.000 0.281 509 L C -0.350 176.708 176.870 0.312 0.000 1.004 509 L CA -0.081 54.915 54.840 0.259 0.000 0.823 509 L CB 1.706 43.854 42.059 0.147 0.000 1.236 509 L HN 0.704 nan 8.230 nan 0.000 0.415 510 C N 3.864 123.295 119.300 0.218 0.000 2.446 510 C HA 0.912 5.332 4.460 -0.067 0.000 0.329 510 C C -0.115 174.930 174.990 0.091 0.000 1.166 510 C CA -0.500 58.623 59.018 0.175 0.000 1.341 510 C CB 0.272 28.147 27.740 0.224 0.000 1.970 510 C HN 0.938 nan 8.230 nan 0.000 0.452 511 A N 6.212 129.062 122.820 0.050 0.000 2.317 511 A HA 0.978 5.257 4.320 -0.067 0.000 0.327 511 A C -0.541 177.059 177.584 0.027 0.000 1.178 511 A CA -0.531 51.524 52.037 0.030 0.000 0.817 511 A CB 0.779 19.781 19.000 0.003 0.000 1.189 511 A HN 0.925 nan 8.150 nan 0.000 0.489 512 R N 0.445 120.961 120.500 0.027 0.000 2.626 512 R HA 0.474 4.774 4.340 -0.067 0.000 0.274 512 R C -0.943 175.370 176.300 0.022 0.000 1.031 512 R CA -0.579 55.535 56.100 0.024 0.000 0.898 512 R CB 1.966 32.279 30.300 0.021 0.000 1.222 512 R HN 0.784 nan 8.270 nan 0.000 0.455 513 T N -0.423 114.148 114.554 0.027 0.000 2.799 513 T HA 0.381 4.691 4.350 -0.067 0.000 0.296 513 T C 0.358 175.072 174.700 0.024 0.000 0.947 513 T CA -0.544 61.572 62.100 0.027 0.000 1.141 513 T CB 0.565 69.463 68.868 0.051 0.000 0.891 513 T HN 0.143 nan 8.240 nan 0.000 0.533 514 V N 3.021 122.951 119.914 0.026 0.000 2.994 514 V HA 0.711 4.791 4.120 -0.067 0.000 0.318 514 V C 0.613 176.729 176.094 0.037 0.000 1.085 514 V CA -1.044 61.266 62.300 0.017 0.000 0.998 514 V CB 2.117 33.946 31.823 0.010 0.000 1.063 514 V HN 1.181 nan 8.190 nan 0.000 0.447 515 S N 0.784 116.488 115.700 0.006 0.000 2.690 515 S HA 0.356 4.786 4.470 -0.067 0.000 0.291 515 S C 0.624 175.217 174.600 -0.012 0.000 1.138 515 S CA -0.180 58.044 58.200 0.040 0.000 1.013 515 S CB 0.721 63.930 63.200 0.014 0.000 1.053 515 S HN 0.921 nan 8.310 nan 0.000 0.539 516 Y N 1.498 121.751 120.300 -0.079 0.000 2.556 516 Y HA -0.073 4.437 4.550 -0.067 0.000 0.290 516 Y C 0.914 176.551 175.900 -0.440 0.000 1.149 516 Y CA 1.527 59.459 58.100 -0.281 0.000 1.329 516 Y CB -0.933 37.267 38.460 -0.434 0.000 0.975 516 Y HN 0.744 nan 8.280 nan 0.000 0.561 517 N N -0.727 117.358 118.700 -1.024 0.000 2.203 517 N HA 0.315 5.015 4.740 -0.067 0.000 0.207 517 N C 1.194 176.178 175.510 -0.878 0.000 1.130 517 N CA 0.351 52.503 53.050 -1.497 0.000 0.861 517 N CB 0.818 37.847 38.487 -2.430 0.000 1.005 517 N HN 0.425 nan 8.380 nan 0.000 0.507 518 G N 0.241 108.786 108.800 -0.426 0.000 2.213 518 G HA2 -0.235 3.685 3.960 -0.067 0.000 0.226 518 G HA3 -0.235 3.685 3.960 -0.067 0.000 0.226 518 G C -0.124 174.677 174.900 -0.164 0.000 0.992 518 G CA -0.177 44.787 45.100 -0.227 0.000 0.632 518 G HN 0.314 nan 8.290 nan 0.000 0.511 519 I N 3.005 123.461 120.570 -0.189 0.000 2.705 519 I HA 0.126 4.256 4.170 -0.067 0.000 0.291 519 I C 1.022 177.103 176.117 -0.059 0.000 1.146 519 I CA 0.154 61.390 61.300 -0.106 0.000 1.383 519 I CB 0.080 38.029 38.000 -0.086 0.000 1.454 519 I HN 0.080 nan 8.210 nan 0.000 0.581 520 L N 6.676 127.873 121.223 -0.044 0.000 2.410 520 L HA 0.270 4.569 4.340 -0.067 0.000 0.273 520 L C 1.164 178.027 176.870 -0.011 0.000 1.144 520 L CA -0.160 54.666 54.840 -0.023 0.000 0.863 520 L CB 0.178 42.225 42.059 -0.019 0.000 1.140 520 L HN 0.626 nan 8.230 nan 0.000 0.463 521 G N 3.606 112.404 108.800 -0.003 0.000 2.531 521 G HA2 0.540 4.460 3.960 -0.067 0.000 0.281 521 G HA3 0.540 4.460 3.960 -0.067 0.000 0.281 521 G C -2.626 172.275 174.900 0.001 0.000 1.382 521 G CA -1.186 43.914 45.100 -0.000 0.000 1.045 521 G HN 0.387 nan 8.290 nan 0.000 0.533 522 P HA 0.203 nan 4.420 nan 0.000 0.269 522 P C -0.477 176.824 177.300 0.002 0.000 1.209 522 P CA -0.279 62.818 63.100 -0.005 0.000 0.776 522 P CB 0.455 32.147 31.700 -0.014 0.000 0.876 523 E N 0.868 121.067 120.200 -0.001 0.000 2.415 523 E HA 0.058 4.367 4.350 -0.067 0.000 0.263 523 E C -0.059 176.538 176.600 -0.005 0.000 0.995 523 E CA -0.358 56.043 56.400 0.003 0.000 0.915 523 E CB -0.464 29.237 29.700 0.002 0.000 0.951 523 E HN 0.495 nan 8.360 nan 0.000 0.449 524 C N 1.942 121.247 119.300 0.007 0.000 2.760 524 C HA 0.806 5.225 4.460 -0.067 0.000 0.293 524 C C 0.606 175.583 174.990 -0.021 0.000 1.383 524 C CA -0.125 58.901 59.018 0.013 0.000 1.771 524 C CB -1.247 26.551 27.740 0.095 0.000 2.353 524 C HN 0.888 nan 8.230 nan 0.000 0.578 525 G N 0.753 109.528 108.800 -0.043 0.000 2.270 525 G HA2 0.505 4.425 3.960 -0.067 0.000 0.295 525 G HA3 0.505 4.425 3.960 -0.067 0.000 0.295 525 G C -0.970 173.885 174.900 -0.075 0.000 1.732 525 G CA 0.252 45.307 45.100 -0.076 0.000 0.909 525 G HN 0.857 nan 8.290 nan 0.000 0.730 526 T N -1.257 113.220 114.554 -0.129 0.000 2.982 526 T HA 0.786 5.095 4.350 -0.067 0.000 0.321 526 T C -0.934 173.578 174.700 -0.313 0.000 1.229 526 T CA -0.979 61.001 62.100 -0.200 0.000 1.044 526 T CB 2.692 71.391 68.868 -0.281 0.000 1.184 526 T HN 0.811 nan 8.240 nan 0.000 0.477 527 K N 1.814 122.032 120.400 -0.302 0.000 2.525 527 K HA 0.544 4.824 4.320 -0.067 0.000 0.254 527 K C -1.982 174.613 176.600 -0.008 0.000 0.934 527 K CA -0.878 55.281 56.287 -0.215 0.000 0.802 527 K CB 2.032 34.494 32.500 -0.063 0.000 1.295 527 K HN 0.862 nan 8.250 nan 0.000 0.433 528 Y N 4.747 125.078 120.300 0.051 0.000 2.329 528 Y HA 0.375 4.885 4.550 -0.067 0.000 0.328 528 Y C -0.609 175.307 175.900 0.026 0.000 0.992 528 Y CA -1.274 56.858 58.100 0.054 0.000 1.151 528 Y CB 1.756 40.285 38.460 0.115 0.000 1.150 528 Y HN 0.203 nan 8.280 nan 0.000 0.450 529 L N 5.040 126.361 121.223 0.165 0.000 2.313 529 L HA 0.407 4.707 4.340 -0.067 0.000 0.283 529 L C 0.255 177.153 176.870 0.048 0.000 1.013 529 L CA -0.481 54.410 54.840 0.084 0.000 0.816 529 L CB 1.836 43.926 42.059 0.053 0.000 1.236 529 L HN 0.764 nan 8.230 nan 0.000 0.419 530 L N 2.443 123.690 121.223 0.039 0.000 2.640 530 L HA 0.237 4.536 4.340 -0.067 0.000 0.230 530 L C 0.319 177.187 176.870 -0.002 0.000 1.123 530 L CA 0.292 55.137 54.840 0.008 0.000 0.900 530 L CB 0.022 42.093 42.059 0.020 0.000 1.146 530 L HN 0.625 nan 8.230 nan 0.000 0.484 531 N N 0.734 119.438 118.700 0.006 0.000 2.672 531 N HA 0.245 4.945 4.740 -0.067 0.000 0.295 531 N C -0.941 174.572 175.510 0.004 0.000 1.924 531 N CA -0.066 52.985 53.050 0.002 0.000 0.851 531 N CB 1.521 40.012 38.487 0.007 0.000 1.281 531 N HN 0.099 nan 8.380 nan 0.000 0.494 532 L N 1.028 122.251 121.223 -0.000 0.000 2.331 532 L HA 0.296 4.596 4.340 -0.067 0.000 0.278 532 L C -0.241 176.631 176.870 0.004 0.000 1.106 532 L CA -0.155 54.686 54.840 0.002 0.000 0.824 532 L CB 0.535 42.591 42.059 -0.006 0.000 1.142 532 L HN 0.103 nan 8.230 nan 0.000 0.443 533 N N 6.861 125.565 118.700 0.007 0.000 2.426 533 N HA 0.283 4.983 4.740 -0.067 0.000 0.257 533 N C -0.769 174.748 175.510 0.012 0.000 1.002 533 N CA -0.262 52.794 53.050 0.010 0.000 0.942 533 N CB 1.718 40.208 38.487 0.005 0.000 1.112 533 N HN 0.534 nan 8.380 nan 0.000 0.499 534 L N 2.563 123.804 121.223 0.029 0.000 2.504 534 L HA 0.230 4.529 4.340 -0.067 0.000 0.249 534 L C 0.549 177.439 176.870 0.034 0.000 1.120 534 L CA -0.620 54.239 54.840 0.033 0.000 0.997 534 L CB 0.283 42.373 42.059 0.052 0.000 1.349 534 L HN 0.214 nan 8.230 nan 0.000 0.439 535 E N 2.030 122.235 120.200 0.009 0.000 2.492 535 E HA -0.007 4.303 4.350 -0.067 0.000 0.266 535 E C -2.143 174.447 176.600 -0.016 0.000 1.047 535 E CA -1.218 55.178 56.400 -0.006 0.000 0.968 535 E CB 0.021 29.724 29.700 0.006 0.000 0.960 535 E HN 0.196 nan 8.360 nan 0.000 0.452 536 P HA -0.088 nan 4.420 nan 0.000 0.266 536 P C -0.181 177.104 177.300 -0.024 0.000 1.193 536 P CA 0.223 63.227 63.100 -0.160 0.000 0.770 536 P CB 0.034 31.631 31.700 -0.171 0.000 0.836 537 F N -1.188 118.779 119.950 0.029 0.000 2.978 537 F HA -0.283 4.204 4.527 -0.067 0.000 0.248 537 F C 0.638 176.449 175.800 0.019 0.000 0.994 537 F CA 0.410 58.424 58.000 0.025 0.000 0.849 537 F CB -1.776 37.234 39.000 0.017 0.000 0.737 537 F HN 0.183 nan 8.300 nan 0.000 0.800 538 S N -1.321 114.462 115.700 0.138 0.000 2.841 538 S HA 0.740 5.170 4.470 -0.067 0.000 0.318 538 S C -0.468 174.157 174.600 0.040 0.000 1.127 538 S CA -1.061 57.191 58.200 0.086 0.000 0.883 538 S CB 2.593 65.826 63.200 0.055 0.000 1.271 538 S HN 0.232 nan 8.310 nan 0.000 0.567 539 E N 0.412 120.613 120.200 0.001 0.000 2.292 539 E HA 0.515 4.824 4.350 -0.067 0.000 0.272 539 E C -1.425 175.093 176.600 -0.137 0.000 0.881 539 E CA -0.715 55.630 56.400 -0.092 0.000 0.754 539 E CB 2.069 31.730 29.700 -0.064 0.000 1.201 539 E HN 0.198 nan 8.360 nan 0.000 0.425 540 K N 0.886 121.161 120.400 -0.210 0.000 2.259 540 K HA 0.496 4.775 4.320 -0.067 0.000 0.252 540 K C -1.332 175.152 176.600 -0.192 0.000 0.936 540 K CA -0.565 55.639 56.287 -0.138 0.000 0.810 540 K CB 2.064 34.522 32.500 -0.070 0.000 1.143 540 K HN 0.300 nan 8.250 nan 0.000 0.427 541 S N 3.050 118.724 115.700 -0.044 0.000 2.640 541 S HA 0.497 4.926 4.470 -0.067 0.000 0.320 541 S C -1.440 173.259 174.600 0.166 0.000 1.097 541 S CA -0.646 57.606 58.200 0.087 0.000 1.092 541 S CB 0.563 63.853 63.200 0.150 0.000 0.988 541 S HN 0.333 nan 8.310 nan 0.000 0.470 542 V N 7.800 127.820 119.914 0.175 0.000 2.370 542 V HA 0.447 4.527 4.120 -0.067 0.000 0.283 542 V C -2.310 173.872 176.094 0.147 0.000 1.023 542 V CA -1.999 60.385 62.300 0.141 0.000 0.857 542 V CB 1.265 33.134 31.823 0.077 0.000 0.985 542 V HN 0.643 nan 8.190 nan 0.000 0.443 543 P HA 0.425 nan 4.420 nan 0.000 0.278 543 P C -1.027 176.176 177.300 -0.162 0.000 1.238 543 P CA -0.435 62.583 63.100 -0.136 0.000 0.794 543 P CB 0.914 32.582 31.700 -0.054 0.000 0.955 544 L N 3.664 124.721 121.223 -0.277 0.000 2.504 544 L HA 0.382 4.681 4.340 -0.067 0.000 0.265 544 L C -1.253 175.467 176.870 -0.251 0.000 0.975 544 L CA -0.707 54.015 54.840 -0.196 0.000 0.864 544 L CB 0.953 42.930 42.059 -0.136 0.000 1.212 544 L HN 0.385 nan 8.230 nan 0.000 0.416 545 C N 6.740 125.913 119.300 -0.211 0.000 2.442 545 C HA 0.490 4.909 4.460 -0.067 0.000 0.362 545 C C 0.457 175.283 174.990 -0.272 0.000 1.242 545 C CA -0.643 58.232 59.018 -0.238 0.000 1.741 545 C CB -1.388 26.254 27.740 -0.163 0.000 2.378 545 C HN 0.675 nan 8.230 nan 0.000 0.549 546 I N 8.218 128.512 120.570 -0.460 0.000 2.291 546 I HA 0.231 4.361 4.170 -0.067 0.000 0.290 546 I C 0.030 175.923 176.117 -0.373 0.000 1.050 546 I CA 0.061 61.077 61.300 -0.475 0.000 1.245 546 I CB 0.473 37.974 38.000 -0.831 0.000 1.405 546 I HN 0.488 nan 8.210 nan 0.000 0.478 547 L N 5.935 127.072 121.223 -0.145 0.000 2.350 547 L HA 0.154 4.453 4.340 -0.067 0.000 0.275 547 L C 1.016 177.793 176.870 -0.156 0.000 1.099 547 L CA -0.405 54.377 54.840 -0.097 0.000 0.808 547 L CB 0.700 42.694 42.059 -0.109 0.000 1.149 547 L HN 0.533 nan 8.230 nan 0.000 0.442 548 Y N 1.766 121.870 120.300 -0.328 0.000 2.145 548 Y HA -0.271 4.238 4.550 -0.067 0.000 0.286 548 Y C 2.223 177.710 175.900 -0.688 0.000 1.145 548 Y CA 1.911 59.523 58.100 -0.814 0.000 1.148 548 Y CB 0.077 38.329 38.460 -0.347 0.000 0.981 548 Y HN 0.704 nan 8.280 nan 0.000 0.507 549 E N 0.592 120.549 120.200 -0.404 0.000 2.273 549 E HA -0.187 4.123 4.350 -0.067 0.000 0.198 549 E C 1.452 177.824 176.600 -0.381 0.000 1.002 549 E CA 1.520 57.692 56.400 -0.381 0.000 0.828 549 E CB -0.142 29.465 29.700 -0.156 0.000 0.747 549 E HN 0.521 nan 8.360 nan 0.000 0.491 550 K N -1.233 118.959 120.400 -0.346 0.000 2.358 550 K HA 0.037 4.317 4.320 -0.067 0.000 0.200 550 K C 0.423 176.940 176.600 -0.138 0.000 1.030 550 K CA 0.263 56.424 56.287 -0.210 0.000 1.097 550 K CB 0.609 33.037 32.500 -0.121 0.000 0.862 550 K HN 0.291 nan 8.250 nan 0.000 0.534 551 Y N -1.371 118.828 120.300 -0.169 0.000 2.540 551 Y HA 0.221 4.731 4.550 -0.067 0.000 0.257 551 Y C 1.564 177.375 175.900 -0.149 0.000 1.090 551 Y CA -0.820 57.211 58.100 -0.115 0.000 1.242 551 Y CB -0.304 38.129 38.460 -0.046 0.000 1.325 551 Y HN -0.155 nan 8.280 nan 0.000 0.544 552 R N 0.722 120.888 120.500 -0.556 0.000 2.096 552 R HA -0.128 4.171 4.340 -0.067 0.000 0.235 552 R C 0.845 177.030 176.300 -0.192 0.000 1.127 552 R CA 2.016 57.821 56.100 -0.492 0.000 0.968 552 R CB -0.646 28.981 30.300 -1.122 0.000 0.861 552 R HN 0.194 nan 8.270 nan 0.000 0.440 553 D N 0.816 121.109 120.400 -0.179 0.000 2.097 553 D HA -0.087 4.513 4.640 -0.067 0.000 0.195 553 D C 0.708 176.984 176.300 -0.041 0.000 0.989 553 D CA 1.275 55.216 54.000 -0.099 0.000 0.827 553 D CB -0.048 40.692 40.800 -0.099 0.000 0.966 553 D HN 0.312 nan 8.370 nan 0.000 0.456 554 C N 1.178 120.471 119.300 -0.012 0.000 2.395 554 C HA 0.399 4.819 4.460 -0.067 0.000 0.315 554 C C 0.375 175.393 174.990 0.047 0.000 1.399 554 C CA -0.906 58.118 59.018 0.010 0.000 1.788 554 C CB -1.248 26.493 27.740 0.001 0.000 2.564 554 C HN 0.118 nan 8.230 nan 0.000 0.552 555 L N 2.249 123.520 121.223 0.079 0.000 2.312 555 L HA 0.497 4.796 4.340 -0.067 0.000 0.281 555 L C 0.870 177.796 176.870 0.093 0.000 1.070 555 L CA 0.603 55.507 54.840 0.106 0.000 0.805 555 L CB 1.238 43.402 42.059 0.175 0.000 1.174 555 L HN 0.398 nan 8.230 nan 0.000 0.434 556 T N -0.238 114.378 114.554 0.104 0.000 2.874 556 T HA 0.257 4.566 4.350 -0.067 0.000 0.281 556 T C 0.855 175.645 174.700 0.149 0.000 0.994 556 T CA -0.587 61.595 62.100 0.137 0.000 1.015 556 T CB 0.891 69.862 68.868 0.172 0.000 1.028 556 T HN 0.640 nan 8.240 nan 0.000 0.523 557 E N 0.253 120.560 120.200 0.178 0.000 2.393 557 E HA -0.066 4.244 4.350 -0.067 0.000 0.201 557 E C 1.680 178.375 176.600 0.158 0.000 1.025 557 E CA 0.725 57.220 56.400 0.157 0.000 0.856 557 E CB -0.198 29.602 29.700 0.168 0.000 0.771 557 E HN 0.585 nan 8.360 nan 0.000 0.526 558 S N 0.439 116.251 115.700 0.187 0.000 2.593 558 S HA 0.014 4.444 4.470 -0.067 0.000 0.217 558 S C -0.084 174.670 174.600 0.256 0.000 0.966 558 S CA -0.153 58.187 58.200 0.233 0.000 0.914 558 S CB -0.063 63.301 63.200 0.274 0.000 0.776 558 S HN 0.321 nan 8.310 nan 0.000 0.523 559 N N 1.580 120.353 118.700 0.122 0.000 2.707 559 N HA -0.163 4.537 4.740 -0.067 0.000 0.253 559 N C -1.046 174.449 175.510 -0.026 0.000 0.998 559 N CA 0.653 53.683 53.050 -0.033 0.000 0.751 559 N CB -1.666 36.653 38.487 -0.281 0.000 0.920 559 N HN 0.450 nan 8.380 nan 0.000 0.539 560 L N 0.089 121.357 121.223 0.074 0.000 2.317 560 L HA 0.618 4.917 4.340 -0.067 0.000 0.281 560 L C 0.456 177.339 176.870 0.021 0.000 1.024 560 L CA -0.605 54.290 54.840 0.092 0.000 0.810 560 L CB 1.467 43.629 42.059 0.173 0.000 1.240 560 L HN 0.048 nan 8.230 nan 0.000 0.427 561 I N 3.195 123.766 120.570 0.003 0.000 2.534 561 I HA 0.302 4.431 4.170 -0.067 0.000 0.288 561 I C -0.515 175.620 176.117 0.031 0.000 1.077 561 I CA -0.615 60.681 61.300 -0.007 0.000 1.051 561 I CB 2.446 40.413 38.000 -0.055 0.000 1.234 561 I HN 0.548 nan 8.210 nan 0.000 0.425 562 K N 6.284 126.704 120.400 0.034 0.000 2.240 562 K HA 0.602 4.882 4.320 -0.067 0.000 0.271 562 K C -1.283 175.342 176.600 0.043 0.000 1.018 562 K CA -0.430 55.883 56.287 0.042 0.000 0.874 562 K CB 1.475 33.995 32.500 0.033 0.000 1.098 562 K HN 0.394 nan 8.250 nan 0.000 0.458 563 V N 4.900 124.845 119.914 0.051 0.000 2.472 563 V HA 0.462 4.541 4.120 -0.067 0.000 0.290 563 V C -0.027 176.101 176.094 0.056 0.000 1.037 563 V CA -0.730 61.603 62.300 0.054 0.000 0.908 563 V CB 1.386 33.246 31.823 0.060 0.000 0.985 563 V HN 0.783 nan 8.190 nan 0.000 0.454 564 R N 2.767 123.305 120.500 0.063 0.000 2.628 564 R HA 0.812 5.111 4.340 -0.067 0.000 0.288 564 R C -1.227 175.120 176.300 0.079 0.000 0.980 564 R CA -0.443 55.696 56.100 0.064 0.000 0.891 564 R CB 2.060 32.398 30.300 0.062 0.000 1.188 564 R HN 0.838 nan 8.270 nan 0.000 0.450 565 A N 4.030 126.889 122.820 0.064 0.000 2.422 565 A HA 0.581 4.861 4.320 -0.067 0.000 0.302 565 A C -1.970 175.634 177.584 0.034 0.000 1.041 565 A CA -0.639 51.434 52.037 0.060 0.000 0.708 565 A CB 1.730 20.765 19.000 0.059 0.000 1.257 565 A HN 0.517 nan 8.150 nan 0.000 0.414 566 L N 2.432 123.662 121.223 0.012 0.000 2.356 566 L HA 0.752 5.052 4.340 -0.067 0.000 0.277 566 L C -1.567 175.273 176.870 -0.049 0.000 0.996 566 L CA -0.657 54.177 54.840 -0.011 0.000 0.822 566 L CB 1.616 43.660 42.059 -0.026 0.000 1.256 566 L HN 0.649 nan 8.230 nan 0.000 0.413 567 L N 6.380 127.569 121.223 -0.055 0.000 2.298 567 L HA 0.660 4.960 4.340 -0.067 0.000 0.284 567 L C -1.089 175.677 176.870 -0.174 0.000 1.013 567 L CA -0.215 54.563 54.840 -0.104 0.000 0.824 567 L CB 1.599 43.599 42.059 -0.098 0.000 1.221 567 L HN 0.406 nan 8.230 nan 0.000 0.418 568 V N 4.321 124.100 119.914 -0.224 0.000 2.435 568 V HA 0.532 4.612 4.120 -0.067 0.000 0.290 568 V C -0.228 175.674 176.094 -0.321 0.000 1.030 568 V CA -0.680 61.394 62.300 -0.376 0.000 0.881 568 V CB 1.650 33.259 31.823 -0.357 0.000 0.983 568 V HN 0.640 nan 8.190 nan 0.000 0.445 569 E N 7.511 127.479 120.200 -0.386 0.000 2.183 569 E HA 0.332 4.641 4.350 -0.067 0.000 0.250 569 E C -1.906 174.552 176.600 -0.237 0.000 0.901 569 E CA -2.416 53.829 56.400 -0.259 0.000 0.741 569 E CB 2.038 31.568 29.700 -0.282 0.000 1.182 569 E HN 0.353 nan 8.360 nan 0.000 0.425 570 P HA -0.231 nan 4.420 nan 0.000 0.214 570 P C 1.444 178.698 177.300 -0.077 0.000 1.169 570 P CA 1.009 64.037 63.100 -0.118 0.000 0.908 570 P CB 0.252 31.911 31.700 -0.069 0.000 0.791 571 V N 2.571 122.465 119.914 -0.034 0.000 2.277 571 V HA -0.274 3.805 4.120 -0.067 0.000 0.239 571 V C 2.673 178.760 176.094 -0.012 0.000 1.006 571 V CA 2.785 65.081 62.300 -0.006 0.000 1.018 571 V CB -1.775 30.066 31.823 0.029 0.000 0.665 571 V HN 0.110 nan 8.190 nan 0.000 0.488 572 I N -0.190 120.379 120.570 -0.001 0.000 3.164 572 I HA -0.006 4.124 4.170 -0.067 0.000 0.278 572 I C 0.960 177.038 176.117 -0.065 0.000 1.320 572 I CA 1.039 62.334 61.300 -0.007 0.000 1.422 572 I CB -1.558 36.450 38.000 0.014 0.000 1.066 572 I HN 0.688 nan 8.210 nan 0.000 0.503 573 N N 1.757 120.382 118.700 -0.125 0.000 2.642 573 N HA -0.194 4.505 4.740 -0.067 0.000 0.269 573 N C -0.942 174.333 175.510 -0.392 0.000 1.073 573 N CA 0.843 53.751 53.050 -0.237 0.000 0.748 573 N CB -0.808 37.609 38.487 -0.116 0.000 0.894 573 N HN 0.559 nan 8.380 nan 0.000 0.548 574 S N 1.601 117.033 115.700 -0.446 0.000 2.472 574 S HA 0.536 4.965 4.470 -0.067 0.000 0.303 574 S C -0.950 173.288 174.600 -0.605 0.000 1.099 574 S CA -0.458 57.508 58.200 -0.389 0.000 1.077 574 S CB 0.805 63.863 63.200 -0.237 0.000 1.031 574 S HN 0.313 nan 8.310 nan 0.000 0.487 575 Y N 1.841 122.054 120.300 -0.145 0.000 2.341 575 Y HA 0.620 5.129 4.550 -0.067 0.000 0.338 575 Y C -0.431 175.415 175.900 -0.090 0.000 0.965 575 Y CA -0.910 57.125 58.100 -0.109 0.000 1.108 575 Y CB 1.114 39.528 38.460 -0.077 0.000 1.180 575 Y HN 0.420 nan 8.280 nan 0.000 0.458 576 L N 4.891 126.117 121.223 0.005 0.000 2.343 576 L HA 0.539 4.838 4.340 -0.067 0.000 0.278 576 L C -1.388 175.487 176.870 0.009 0.000 0.996 576 L CA -0.559 54.274 54.840 -0.012 0.000 0.831 576 L CB 1.150 43.172 42.059 -0.061 0.000 1.232 576 L HN 0.669 nan 8.230 nan 0.000 0.413 577 L N 4.361 125.593 121.223 0.014 0.000 2.325 577 L HA 0.922 5.222 4.340 -0.067 0.000 0.278 577 L C -0.705 176.174 176.870 0.016 0.000 1.023 577 L CA -0.562 54.288 54.840 0.016 0.000 0.811 577 L CB 1.756 43.821 42.059 0.009 0.000 1.249 577 L HN 0.793 nan 8.230 nan 0.000 0.431 578 A N 4.453 127.288 122.820 0.024 0.000 2.456 578 A HA 0.643 4.923 4.320 -0.067 0.000 0.288 578 A C -1.268 176.340 177.584 0.040 0.000 1.042 578 A CA -0.575 51.483 52.037 0.034 0.000 0.738 578 A CB 1.382 20.408 19.000 0.042 0.000 1.266 578 A HN 0.760 nan 8.150 nan 0.000 0.407 579 E N 0.648 120.872 120.200 0.039 0.000 2.369 579 E HA 0.757 5.066 4.350 -0.067 0.000 0.270 579 E C -0.741 175.891 176.600 0.053 0.000 0.909 579 E CA -0.941 55.484 56.400 0.042 0.000 0.775 579 E CB 2.974 32.689 29.700 0.026 0.000 1.270 579 E HN 0.613 nan 8.360 nan 0.000 0.445 580 R N 1.274 121.809 120.500 0.059 0.000 2.594 580 R HA 0.190 4.490 4.340 -0.067 0.000 0.265 580 R C -1.793 174.551 176.300 0.074 0.000 1.070 580 R CA -0.551 55.591 56.100 0.069 0.000 0.909 580 R CB 1.357 31.699 30.300 0.070 0.000 1.243 580 R HN 0.471 nan 8.270 nan 0.000 0.455 581 D N 4.645 125.099 120.400 0.091 0.000 2.317 581 D HA 0.229 4.829 4.640 -0.067 0.000 0.234 581 D C -0.322 176.040 176.300 0.102 0.000 1.112 581 D CA -0.367 53.696 54.000 0.105 0.000 0.840 581 D CB 1.608 42.497 40.800 0.148 0.000 1.078 581 D HN 0.112 nan 8.370 nan 0.000 0.486 582 L N 2.164 123.427 121.223 0.067 0.000 2.379 582 L HA 0.295 4.595 4.340 -0.067 0.000 0.269 582 L C -0.378 176.515 176.870 0.037 0.000 1.084 582 L CA -0.805 54.041 54.840 0.010 0.000 0.802 582 L CB 0.299 42.326 42.059 -0.053 0.000 1.175 582 L HN 0.331 nan 8.230 nan 0.000 0.448 583 Y N 2.719 122.928 120.300 -0.151 0.000 2.326 583 Y HA 0.513 5.023 4.550 -0.067 0.000 0.331 583 Y C -0.842 174.902 175.900 -0.259 0.000 0.962 583 Y CA -0.890 57.143 58.100 -0.113 0.000 1.167 583 Y CB 0.960 39.443 38.460 0.038 0.000 1.148 583 Y HN 0.402 nan 8.280 nan 0.000 0.463 584 L N 5.662 126.386 121.223 -0.832 0.000 2.369 584 L HA 0.203 4.502 4.340 -0.067 0.000 0.279 584 L C 0.206 176.527 176.870 -0.915 0.000 1.108 584 L CA -0.345 54.049 54.840 -0.743 0.000 0.852 584 L CB 0.504 42.279 42.059 -0.474 0.000 1.169 584 L HN 0.634 nan 8.230 nan 0.000 0.452 585 E N 3.669 123.540 120.200 -0.548 0.000 2.417 585 E HA 0.018 4.328 4.350 -0.067 0.000 0.261 585 E C -0.155 176.374 176.600 -0.118 0.000 1.000 585 E CA 0.085 56.366 56.400 -0.198 0.000 0.919 585 E CB 0.359 30.038 29.700 -0.035 0.000 0.955 585 E HN 0.346 nan 8.360 nan 0.000 0.455 586 N N 4.530 123.226 118.700 -0.007 0.000 2.424 586 N HA 0.264 4.964 4.740 -0.067 0.000 0.257 586 N C -2.347 173.172 175.510 0.016 0.000 1.250 586 N CA -1.293 51.765 53.050 0.015 0.000 0.946 586 N CB 0.253 38.787 38.487 0.078 0.000 1.175 586 N HN 0.439 nan 8.380 nan 0.000 0.477 587 P HA 0.095 nan 4.420 nan 0.000 0.275 587 P C -0.228 177.062 177.300 -0.018 0.000 1.227 587 P CA -0.149 62.934 63.100 -0.029 0.000 0.781 587 P CB 1.057 32.718 31.700 -0.066 0.000 0.906 588 E N 2.032 122.220 120.200 -0.021 0.000 2.409 588 E HA 0.194 4.504 4.350 -0.067 0.000 0.257 588 E C -0.519 176.062 176.600 -0.031 0.000 1.150 588 E CA -0.415 55.972 56.400 -0.021 0.000 0.942 588 E CB 0.394 30.075 29.700 -0.032 0.000 0.979 588 E HN 0.393 nan 8.360 nan 0.000 0.447 589 I N 3.260 123.815 120.570 -0.024 0.000 2.382 589 I HA 0.201 4.331 4.170 -0.067 0.000 0.285 589 I C -0.257 175.829 176.117 -0.051 0.000 1.007 589 I CA -0.597 60.699 61.300 -0.006 0.000 1.142 589 I CB 1.446 39.488 38.000 0.070 0.000 1.289 589 I HN 0.302 nan 8.210 nan 0.000 0.453 590 K N 7.085 127.448 120.400 -0.061 0.000 2.350 590 K HA 0.543 4.823 4.320 -0.067 0.000 0.279 590 K C -0.687 175.854 176.600 -0.097 0.000 1.027 590 K CA -0.014 56.225 56.287 -0.080 0.000 0.969 590 K CB 1.227 33.685 32.500 -0.071 0.000 0.954 590 K HN 0.494 nan 8.250 nan 0.000 0.474 591 I N 3.486 123.996 120.570 -0.099 0.000 2.499 591 I HA 0.319 4.448 4.170 -0.067 0.000 0.288 591 I C -0.354 175.714 176.117 -0.081 0.000 1.048 591 I CA -0.771 60.469 61.300 -0.099 0.000 1.062 591 I CB 1.791 39.733 38.000 -0.096 0.000 1.238 591 I HN 0.413 nan 8.210 nan 0.000 0.426 592 R N 6.384 126.839 120.500 -0.075 0.000 2.534 592 R HA 0.602 4.901 4.340 -0.067 0.000 0.301 592 R C -1.094 175.178 176.300 -0.047 0.000 0.961 592 R CA -1.014 55.052 56.100 -0.057 0.000 0.871 592 R CB 2.663 32.931 30.300 -0.054 0.000 1.170 592 R HN 0.411 nan 8.270 nan 0.000 0.446 593 I N 5.441 125.991 120.570 -0.032 0.000 2.307 593 I HA 0.242 4.372 4.170 -0.067 0.000 0.287 593 I C 0.167 176.273 176.117 -0.018 0.000 1.054 593 I CA -0.471 60.816 61.300 -0.021 0.000 1.218 593 I CB 0.591 38.586 38.000 -0.008 0.000 1.398 593 I HN 0.423 nan 8.210 nan 0.000 0.475 594 L N 5.702 126.913 121.223 -0.021 0.000 2.326 594 L HA 0.734 5.034 4.340 -0.067 0.000 0.278 594 L C 1.016 177.879 176.870 -0.011 0.000 1.092 594 L CA -0.138 54.691 54.840 -0.018 0.000 0.810 594 L CB 0.805 42.851 42.059 -0.022 0.000 1.153 594 L HN 0.836 nan 8.230 nan 0.000 0.439 595 G N 2.881 111.676 108.800 -0.008 0.000 2.698 595 G HA2 -0.171 3.749 3.960 -0.067 0.000 0.225 595 G HA3 -0.171 3.749 3.960 -0.067 0.000 0.225 595 G C -0.760 174.139 174.900 -0.001 0.000 1.345 595 G CA -0.730 44.367 45.100 -0.004 0.000 0.871 595 G HN 0.656 nan 8.290 nan 0.000 0.540 596 E N 0.901 121.103 120.200 0.002 0.000 2.174 596 E HA 0.418 4.727 4.350 -0.067 0.000 0.282 596 E C -2.342 174.265 176.600 0.011 0.000 0.992 596 E CA -1.625 54.778 56.400 0.006 0.000 0.803 596 E CB 1.565 31.268 29.700 0.005 0.000 1.090 596 E HN 0.203 nan 8.360 nan 0.000 0.396 597 P HA 0.051 nan 4.420 nan 0.000 0.249 597 P C -1.010 176.309 177.300 0.031 0.000 1.737 597 P CA 0.267 63.384 63.100 0.028 0.000 1.128 597 P CB 0.076 31.796 31.700 0.033 0.000 1.942 598 K N 1.238 121.653 120.400 0.026 0.000 2.156 598 K HA 0.316 4.596 4.320 -0.067 0.000 0.250 598 K C 0.165 176.783 176.600 0.030 0.000 0.955 598 K CA -0.961 55.341 56.287 0.024 0.000 0.855 598 K CB 1.604 34.113 32.500 0.014 0.000 1.101 598 K HN 0.234 nan 8.250 nan 0.000 0.434 599 Q N 2.032 121.849 119.800 0.029 0.000 2.392 599 Q HA -0.048 4.251 4.340 -0.067 0.000 0.262 599 Q C -0.363 175.643 176.000 0.010 0.000 1.003 599 Q CA 0.133 55.953 55.803 0.028 0.000 0.888 599 Q CB 0.545 29.296 28.738 0.022 0.000 1.260 599 Q HN 0.350 nan 8.270 nan 0.000 0.435 600 K N 2.147 122.548 120.400 0.003 0.000 3.777 600 K HA -0.254 4.026 4.320 -0.067 0.000 0.276 600 K C -1.667 174.933 176.600 0.000 0.000 0.877 600 K CA 1.045 57.329 56.287 -0.006 0.000 0.724 600 K CB -0.667 31.823 32.500 -0.017 0.000 1.589 600 K HN 0.718 nan 8.250 nan 0.000 0.444 601 R N 0.852 121.356 120.500 0.005 0.000 2.629 601 R HA 0.298 4.598 4.340 -0.067 0.000 0.266 601 R C -1.019 175.285 176.300 0.006 0.000 1.051 601 R CA -0.794 55.309 56.100 0.005 0.000 0.895 601 R CB 0.913 31.218 30.300 0.007 0.000 1.246 601 R HN 0.257 nan 8.270 nan 0.000 0.459 602 K N 1.897 122.299 120.400 0.004 0.000 2.397 602 K HA 0.307 4.586 4.320 -0.067 0.000 0.265 602 K C -1.118 175.484 176.600 0.004 0.000 0.982 602 K CA -0.021 56.268 56.287 0.003 0.000 0.931 602 K CB 0.390 32.890 32.500 0.000 0.000 0.943 602 K HN 0.379 nan 8.250 nan 0.000 0.501 603 L N 2.718 123.942 121.223 0.002 0.000 2.545 603 L HA 0.396 4.696 4.340 -0.067 0.000 0.258 603 L C -1.877 174.990 176.870 -0.005 0.000 0.942 603 L CA -0.569 54.272 54.840 0.002 0.000 0.855 603 L CB 2.067 44.131 42.059 0.009 0.000 1.374 603 L HN 0.391 nan 8.230 nan 0.000 0.411 604 V N 2.969 122.877 119.914 -0.010 0.000 2.656 604 V HA 0.950 5.030 4.120 -0.067 0.000 0.307 604 V C -0.275 175.803 176.094 -0.028 0.000 1.051 604 V CA -0.220 62.069 62.300 -0.019 0.000 0.893 604 V CB 1.721 33.531 31.823 -0.021 0.000 0.999 604 V HN 1.011 nan 8.190 nan 0.000 0.426 605 A N 3.277 126.072 122.820 -0.041 0.000 2.311 605 A HA 0.708 4.987 4.320 -0.067 0.000 0.306 605 A C -0.457 177.071 177.584 -0.093 0.000 1.189 605 A CA -0.523 51.479 52.037 -0.058 0.000 0.791 605 A CB 0.887 19.855 19.000 -0.052 0.000 1.172 605 A HN 0.865 nan 8.150 nan 0.000 0.481 606 E N 2.260 122.401 120.200 -0.099 0.000 2.174 606 E HA 0.516 4.825 4.350 -0.067 0.000 0.282 606 E C -0.831 175.659 176.600 -0.183 0.000 0.992 606 E CA -0.551 55.771 56.400 -0.131 0.000 0.803 606 E CB 1.141 30.785 29.700 -0.094 0.000 1.090 606 E HN 0.634 nan 8.360 nan 0.000 0.396 607 V N 1.990 121.722 119.914 -0.303 0.000 2.540 607 V HA 0.705 4.785 4.120 -0.067 0.000 0.302 607 V C -0.259 175.588 176.094 -0.411 0.000 1.035 607 V CA -0.670 61.386 62.300 -0.406 0.000 0.873 607 V CB 1.114 32.532 31.823 -0.676 0.000 0.992 607 V HN 0.658 nan 8.190 nan 0.000 0.428 608 S N 5.617 121.199 115.700 -0.197 0.000 2.677 608 S HA 0.948 5.378 4.470 -0.067 0.000 0.304 608 S C -1.044 173.562 174.600 0.011 0.000 1.108 608 S CA -0.829 57.328 58.200 -0.073 0.000 0.944 608 S CB 2.305 65.467 63.200 -0.063 0.000 1.127 608 S HN 1.490 nan 8.310 nan 0.000 0.511 609 L N 0.921 122.142 121.223 -0.003 0.000 2.545 609 L HA 0.528 4.828 4.340 -0.067 0.000 0.258 609 L C -1.784 175.001 176.870 -0.142 0.000 0.942 609 L CA -0.149 54.617 54.840 -0.124 0.000 0.855 609 L CB 1.920 43.751 42.059 -0.381 0.000 1.374 609 L HN 1.126 nan 8.230 nan 0.000 0.411 610 Q N 3.388 123.108 119.800 -0.134 0.000 2.381 610 Q HA 0.270 4.569 4.340 -0.067 0.000 0.263 610 Q C -0.573 175.364 176.000 -0.104 0.000 1.030 610 Q CA -0.595 55.149 55.803 -0.098 0.000 0.772 610 Q CB 0.983 29.681 28.738 -0.066 0.000 1.232 610 Q HN 0.671 nan 8.270 nan 0.000 0.476 611 N N 5.773 124.414 118.700 -0.098 0.000 2.256 611 N HA -0.091 4.608 4.740 -0.067 0.000 0.277 611 N C -1.803 173.666 175.510 -0.069 0.000 1.362 611 N CA -0.474 52.533 53.050 -0.073 0.000 0.861 611 N CB 0.855 39.320 38.487 -0.035 0.000 1.136 611 N HN 0.474 nan 8.380 nan 0.000 0.492 612 P HA 0.001 nan 4.420 nan 0.000 0.245 612 P C 0.266 177.482 177.300 -0.140 0.000 1.203 612 P CA 0.380 63.426 63.100 -0.090 0.000 0.792 612 P CB 0.489 32.142 31.700 -0.078 0.000 0.997 613 L N 0.576 121.711 121.223 -0.147 0.000 2.472 613 L HA 0.156 4.455 4.340 -0.067 0.000 0.260 613 L C -1.228 175.525 176.870 -0.195 0.000 1.209 613 L CA -1.640 53.049 54.840 -0.252 0.000 0.817 613 L CB -0.150 41.819 42.059 -0.150 0.000 1.106 613 L HN -0.229 nan 8.230 nan 0.000 0.479 614 P HA 0.001 nan 4.420 nan 0.000 0.245 614 P C -0.252 177.021 177.300 -0.044 0.000 1.203 614 P CA 0.303 63.334 63.100 -0.115 0.000 0.792 614 P CB 0.332 31.969 31.700 -0.105 0.000 0.997 615 V N -4.185 115.714 119.914 -0.025 0.000 2.994 615 V HA 0.862 4.942 4.120 -0.067 0.000 0.318 615 V C 0.116 176.215 176.094 0.008 0.000 1.085 615 V CA -1.752 60.556 62.300 0.013 0.000 0.998 615 V CB 1.089 32.944 31.823 0.054 0.000 1.063 615 V HN -0.031 nan 8.190 nan 0.000 0.447 616 A N 2.122 124.951 122.820 0.014 0.000 2.366 616 A HA 0.673 4.952 4.320 -0.067 0.000 0.250 616 A C -0.477 177.125 177.584 0.030 0.000 1.099 616 A CA -0.212 51.836 52.037 0.017 0.000 0.794 616 A CB 0.092 19.101 19.000 0.015 0.000 1.056 616 A HN 0.948 nan 8.150 nan 0.000 0.499 617 L N 0.299 121.546 121.223 0.039 0.000 2.341 617 L HA 0.526 4.826 4.340 -0.067 0.000 0.278 617 L C -0.082 176.813 176.870 0.041 0.000 1.005 617 L CA 0.210 55.084 54.840 0.057 0.000 0.818 617 L CB 1.659 43.783 42.059 0.109 0.000 1.259 617 L HN 0.874 nan 8.230 nan 0.000 0.418 618 E N 1.260 121.470 120.200 0.017 0.000 2.277 618 E HA 0.622 4.931 4.350 -0.067 0.000 0.266 618 E C 0.092 176.673 176.600 -0.032 0.000 0.901 618 E CA -0.279 56.121 56.400 -0.000 0.000 0.782 618 E CB 1.685 31.383 29.700 -0.003 0.000 1.228 618 E HN 0.757 nan 8.360 nan 0.000 0.424 619 G N 1.622 110.402 108.800 -0.034 0.000 2.323 619 G HA2 -0.289 3.631 3.960 -0.067 0.000 0.292 619 G HA3 -0.289 3.631 3.960 -0.067 0.000 0.292 619 G C 0.029 174.851 174.900 -0.130 0.000 1.040 619 G CA 0.048 45.109 45.100 -0.065 0.000 0.942 619 G HN 0.514 nan 8.290 nan 0.000 0.506 620 C N 0.635 119.869 119.300 -0.110 0.000 2.632 620 C HA 0.616 5.036 4.460 -0.067 0.000 0.415 620 C C 0.990 175.829 174.990 -0.252 0.000 1.332 620 C CA 0.139 59.013 59.018 -0.239 0.000 1.874 620 C CB 0.049 27.824 27.740 0.058 0.000 2.596 620 C HN 0.608 nan 8.230 nan 0.000 0.590 621 T N 3.497 117.743 114.554 -0.513 0.000 2.881 621 T HA 0.508 4.818 4.350 -0.067 0.000 0.290 621 T C -0.868 173.634 174.700 -0.329 0.000 1.000 621 T CA -0.170 61.757 62.100 -0.289 0.000 0.978 621 T CB 0.810 69.547 68.868 -0.218 0.000 0.997 621 T HN 0.342 nan 8.240 nan 0.000 0.443 622 F N 1.997 121.958 119.950 0.019 0.000 2.458 622 F HA 0.593 5.079 4.527 -0.067 0.000 0.336 622 F C 0.688 176.503 175.800 0.024 0.000 1.114 622 F CA -0.454 57.599 58.000 0.088 0.000 0.987 622 F CB 1.986 41.064 39.000 0.131 0.000 1.130 622 F HN 0.404 nan 8.300 nan 0.000 0.458 623 T N 3.392 118.084 114.554 0.231 0.000 2.861 623 T HA 0.684 4.994 4.350 -0.067 0.000 0.287 623 T C -0.982 173.783 174.700 0.107 0.000 1.003 623 T CA -0.655 61.512 62.100 0.111 0.000 0.977 623 T CB 1.822 70.706 68.868 0.028 0.000 0.996 623 T HN 0.230 nan 8.240 nan 0.000 0.448 624 V N 2.378 122.331 119.914 0.064 0.000 2.823 624 V HA 0.755 4.835 4.120 -0.067 0.000 0.312 624 V C -0.254 175.845 176.094 0.007 0.000 1.072 624 V CA -0.696 61.628 62.300 0.040 0.000 0.937 624 V CB 2.126 33.969 31.823 0.032 0.000 1.013 624 V HN 0.969 nan 8.190 nan 0.000 0.430 625 E N 1.461 121.654 120.200 -0.011 0.000 2.454 625 E HA 0.743 5.053 4.350 -0.067 0.000 0.279 625 E C -0.808 175.768 176.600 -0.041 0.000 1.029 625 E CA -0.335 56.043 56.400 -0.037 0.000 0.831 625 E CB 2.517 32.173 29.700 -0.072 0.000 1.405 625 E HN 1.095 nan 8.360 nan 0.000 0.463 626 G N 0.616 109.383 108.800 -0.055 0.000 1.956 626 G HA2 0.399 4.318 3.960 -0.067 0.000 0.189 626 G HA3 0.399 4.318 3.960 -0.067 0.000 0.189 626 G C -0.877 173.976 174.900 -0.078 0.000 1.568 626 G CA -0.301 44.768 45.100 -0.052 0.000 1.002 626 G HN 0.590 nan 8.290 nan 0.000 0.653 627 A N 1.064 123.839 122.820 -0.075 0.000 2.496 627 A HA 0.655 4.935 4.320 -0.067 0.000 0.278 627 A C 1.650 179.088 177.584 -0.243 0.000 1.137 627 A CA 1.566 53.539 52.037 -0.106 0.000 0.805 627 A CB -0.128 18.839 19.000 -0.055 0.000 1.077 627 A HN 2.736 nan 8.150 nan 0.000 0.513 628 G N 1.118 109.696 108.800 -0.370 0.000 2.545 628 G HA2 -0.149 3.771 3.960 -0.067 0.000 0.195 628 G HA3 -0.149 3.771 3.960 -0.067 0.000 0.195 628 G C 0.488 175.054 174.900 -0.557 0.000 1.009 628 G CA 0.257 44.856 45.100 -0.834 0.000 0.703 628 G HN 0.573 nan 8.290 nan 0.000 0.479 629 L N 1.639 122.682 121.223 -0.299 0.000 2.425 629 L HA 0.395 4.694 4.340 -0.067 0.000 0.215 629 L C 1.226 178.064 176.870 -0.052 0.000 1.065 629 L CA 2.174 56.945 54.840 -0.116 0.000 0.842 629 L CB -0.609 41.419 42.059 -0.051 0.000 1.033 629 L HN 0.530 nan 8.230 nan 0.000 0.474 630 T N -3.723 110.801 114.554 -0.050 0.000 2.923 630 T HA 0.379 4.689 4.350 -0.067 0.000 0.311 630 T C 0.573 175.268 174.700 -0.008 0.000 1.183 630 T CA -0.690 61.399 62.100 -0.017 0.000 1.020 630 T CB 2.420 71.281 68.868 -0.011 0.000 1.165 630 T HN -0.180 nan 8.240 nan 0.000 0.482 631 E N 1.205 121.411 120.200 0.010 0.000 2.122 631 E HA 0.043 4.353 4.350 -0.067 0.000 0.190 631 E C 0.749 177.358 176.600 0.015 0.000 0.977 631 E CA 0.982 57.395 56.400 0.021 0.000 0.820 631 E CB 0.225 29.943 29.700 0.030 0.000 0.770 631 E HN 0.914 nan 8.360 nan 0.000 0.462 632 E N 0.358 120.565 120.200 0.012 0.000 2.263 632 E HA 0.367 4.677 4.350 -0.067 0.000 0.264 632 E C -0.330 176.274 176.600 0.008 0.000 0.923 632 E CA -0.825 55.583 56.400 0.013 0.000 0.802 632 E CB 1.409 31.119 29.700 0.016 0.000 1.228 632 E HN -0.215 nan 8.360 nan 0.000 0.417 633 Q N 0.971 120.777 119.800 0.010 0.000 2.421 633 Q HA 0.085 4.384 4.340 -0.067 0.000 0.255 633 Q C -0.806 175.202 176.000 0.014 0.000 1.013 633 Q CA -0.003 55.805 55.803 0.009 0.000 0.895 633 Q CB 0.668 29.415 28.738 0.014 0.000 1.271 633 Q HN 0.319 nan 8.270 nan 0.000 0.460 634 K N 2.566 122.976 120.400 0.016 0.000 2.376 634 K HA 0.429 4.709 4.320 -0.067 0.000 0.257 634 K C -1.313 175.308 176.600 0.036 0.000 0.939 634 K CA -0.503 55.798 56.287 0.022 0.000 0.809 634 K CB 2.178 34.689 32.500 0.018 0.000 1.121 634 K HN 0.593 nan 8.250 nan 0.000 0.425 635 T N 1.195 115.771 114.554 0.037 0.000 2.881 635 T HA 0.454 4.764 4.350 -0.067 0.000 0.290 635 T C -0.604 174.131 174.700 0.058 0.000 1.000 635 T CA -0.592 61.538 62.100 0.050 0.000 0.978 635 T CB 1.864 70.747 68.868 0.025 0.000 0.997 635 T HN 0.146 nan 8.240 nan 0.000 0.443 636 V N 2.855 122.827 119.914 0.097 0.000 2.680 636 V HA 0.484 4.564 4.120 -0.067 0.000 0.309 636 V C -0.422 175.735 176.094 0.105 0.000 1.052 636 V CA -0.912 61.448 62.300 0.099 0.000 0.908 636 V CB 2.158 34.054 31.823 0.122 0.000 1.001 636 V HN 0.859 nan 8.190 nan 0.000 0.431 637 E N 3.881 124.124 120.200 0.071 0.000 2.158 637 E HA 0.468 4.777 4.350 -0.067 0.000 0.271 637 E C -1.094 175.548 176.600 0.069 0.000 0.911 637 E CA -0.752 55.677 56.400 0.048 0.000 0.767 637 E CB 1.945 31.655 29.700 0.017 0.000 1.120 637 E HN 0.383 nan 8.360 nan 0.000 0.405 638 I N 5.969 126.587 120.570 0.080 0.000 2.308 638 I HA 0.050 4.180 4.170 -0.067 0.000 0.293 638 I C -1.029 175.119 176.117 0.052 0.000 1.078 638 I CA -2.243 59.114 61.300 0.094 0.000 1.292 638 I CB 0.110 38.195 38.000 0.141 0.000 1.423 638 I HN 0.455 nan 8.210 nan 0.000 0.493 639 P HA -0.167 nan 4.420 nan 0.000 0.216 639 P C -0.044 177.270 177.300 0.023 0.000 1.157 639 P CA 1.425 64.541 63.100 0.027 0.000 0.880 639 P CB 0.348 32.063 31.700 0.026 0.000 0.791 640 D N 0.354 120.772 120.400 0.030 0.000 2.272 640 D HA 0.330 4.930 4.640 -0.067 0.000 0.247 640 D C -2.252 174.068 176.300 0.032 0.000 0.990 640 D CA -1.912 52.103 54.000 0.026 0.000 0.931 640 D CB 0.252 41.067 40.800 0.024 0.000 1.195 640 D HN 0.149 nan 8.370 nan 0.000 0.477 641 P HA 0.057 nan 4.420 nan 0.000 0.272 641 P C -0.820 176.502 177.300 0.036 0.000 1.223 641 P CA -0.337 62.781 63.100 0.030 0.000 0.784 641 P CB 0.697 32.409 31.700 0.020 0.000 0.923 642 V N 2.978 122.920 119.914 0.046 0.000 2.328 642 V HA 0.134 4.214 4.120 -0.067 0.000 0.278 642 V C 0.858 176.967 176.094 0.025 0.000 1.021 642 V CA -0.595 61.730 62.300 0.041 0.000 0.838 642 V CB 0.587 32.446 31.823 0.059 0.000 0.999 642 V HN 0.511 nan 8.190 nan 0.000 0.447 643 E N 2.782 122.990 120.200 0.014 0.000 2.428 643 E HA 0.150 4.460 4.350 -0.067 0.000 0.257 643 E C 1.555 178.153 176.600 -0.004 0.000 1.197 643 E CA 0.503 56.906 56.400 0.005 0.000 0.974 643 E CB 0.647 30.348 29.700 0.002 0.000 0.976 643 E HN 0.642 nan 8.360 nan 0.000 0.463 644 A N 1.678 124.491 122.820 -0.011 0.000 1.881 644 A HA -0.243 4.036 4.320 -0.067 0.000 0.219 644 A C 2.070 179.636 177.584 -0.031 0.000 1.215 644 A CA 2.828 54.850 52.037 -0.025 0.000 0.648 644 A CB -1.290 17.692 19.000 -0.029 0.000 0.832 644 A HN 0.675 nan 8.150 nan 0.000 0.455 645 G N -0.228 108.557 108.800 -0.024 0.000 2.404 645 G HA2 0.059 3.979 3.960 -0.067 0.000 0.214 645 G HA3 0.059 3.979 3.960 -0.067 0.000 0.214 645 G C 0.377 175.262 174.900 -0.025 0.000 1.189 645 G CA 0.403 45.487 45.100 -0.026 0.000 0.789 645 G HN 0.549 nan 8.290 nan 0.000 0.533 646 E N 1.607 121.797 120.200 -0.016 0.000 3.120 646 E HA -0.078 4.232 4.350 -0.067 0.000 0.292 646 E C 0.443 177.032 176.600 -0.019 0.000 0.914 646 E CA 0.765 57.158 56.400 -0.011 0.000 0.988 646 E CB 0.207 29.907 29.700 -0.000 0.000 0.994 646 E HN 0.820 nan 8.360 nan 0.000 0.493 647 E N 0.020 120.210 120.200 -0.016 0.000 2.232 647 E HA 0.590 4.899 4.350 -0.067 0.000 0.264 647 E C -0.864 175.737 176.600 0.002 0.000 0.973 647 E CA -1.026 55.360 56.400 -0.024 0.000 0.849 647 E CB 1.350 31.035 29.700 -0.025 0.000 1.198 647 E HN 0.149 nan 8.360 nan 0.000 0.407 648 V N 0.598 120.519 119.914 0.012 0.000 2.769 648 V HA 0.610 4.689 4.120 -0.067 0.000 0.312 648 V C -0.411 175.743 176.094 0.101 0.000 1.061 648 V CA -0.885 61.470 62.300 0.090 0.000 0.931 648 V CB 1.495 33.416 31.823 0.162 0.000 1.010 648 V HN 0.793 nan 8.190 nan 0.000 0.433 649 K N 1.572 122.028 120.400 0.093 0.000 2.532 649 K HA 0.884 5.163 4.320 -0.067 0.000 0.265 649 K C -2.113 174.482 176.600 -0.008 0.000 0.948 649 K CA -0.526 55.761 56.287 -0.000 0.000 0.842 649 K CB 2.773 35.260 32.500 -0.023 0.000 1.392 649 K HN 0.625 nan 8.250 nan 0.000 0.436 650 V N 2.259 122.103 119.914 -0.117 0.000 3.236 650 V HA 0.574 4.654 4.120 -0.067 0.000 0.287 650 V C -2.107 173.901 176.094 -0.143 0.000 1.491 650 V CA -0.701 61.545 62.300 -0.090 0.000 1.037 650 V CB 2.254 34.062 31.823 -0.025 0.000 1.160 650 V HN 0.891 nan 8.190 nan 0.000 0.453 651 R N 4.435 124.886 120.500 -0.083 0.000 2.832 651 R HA 0.889 5.188 4.340 -0.067 0.000 0.271 651 R C -1.043 175.223 176.300 -0.058 0.000 0.996 651 R CA -0.746 55.307 56.100 -0.079 0.000 0.977 651 R CB 2.127 32.396 30.300 -0.051 0.000 1.168 651 R HN 0.690 nan 8.270 nan 0.000 0.482 652 M N 1.572 121.140 119.600 -0.053 0.000 2.224 652 M HA 0.261 4.700 4.480 -0.067 0.000 0.281 652 M C -1.594 174.693 176.300 -0.022 0.000 1.025 652 M CA -0.809 54.473 55.300 -0.031 0.000 0.954 652 M CB 2.503 35.084 32.600 -0.031 0.000 1.639 652 M HN 0.450 nan 8.290 nan 0.000 0.461 653 D N 5.215 125.607 120.400 -0.012 0.000 2.343 653 D HA 0.493 5.093 4.640 -0.067 0.000 0.255 653 D C -0.549 175.748 176.300 -0.004 0.000 1.187 653 D CA 0.218 54.213 54.000 -0.008 0.000 0.875 653 D CB 1.322 42.120 40.800 -0.004 0.000 1.136 653 D HN 0.442 nan 8.370 nan 0.000 0.469 654 L N 1.284 122.505 121.223 -0.004 0.000 2.301 654 L HA 0.504 4.804 4.340 -0.067 0.000 0.264 654 L C -0.521 176.350 176.870 0.002 0.000 1.016 654 L CA -1.181 53.658 54.840 -0.001 0.000 0.821 654 L CB 1.784 43.842 42.059 -0.002 0.000 1.346 654 L HN 0.107 nan 8.230 nan 0.000 0.429 655 L N 2.995 124.220 121.223 0.003 0.000 2.470 655 L HA 0.490 4.790 4.340 -0.067 0.000 0.253 655 L C -2.472 174.403 176.870 0.008 0.000 1.163 655 L CA -1.540 53.303 54.840 0.006 0.000 0.932 655 L CB 0.873 42.935 42.059 0.005 0.000 1.213 655 L HN 0.199 nan 8.230 nan 0.000 0.485 656 P HA 0.069 nan 4.420 nan 0.000 0.262 656 P C 0.548 177.865 177.300 0.029 0.000 1.182 656 P CA 0.429 63.542 63.100 0.021 0.000 0.761 656 P CB 0.687 32.416 31.700 0.049 0.000 0.795 657 L N 1.843 123.095 121.223 0.049 0.000 2.467 657 L HA 0.124 4.423 4.340 -0.067 0.000 0.213 657 L C 0.479 177.313 176.870 -0.060 0.000 1.053 657 L CA 0.493 55.332 54.840 -0.002 0.000 0.847 657 L CB -0.269 41.789 42.059 -0.001 0.000 1.075 657 L HN 0.459 nan 8.230 nan 0.000 0.479 658 H N 0.156 119.247 119.070 0.035 0.000 2.463 658 H HA 0.392 4.908 4.556 -0.067 0.000 0.332 658 H C 0.235 175.724 175.328 0.268 0.000 1.127 658 H CA -0.566 55.564 56.048 0.137 0.000 1.238 658 H CB 1.096 30.965 29.762 0.179 0.000 1.478 658 H HN 0.000 nan 8.280 nan 0.000 0.499 659 M N 0.688 120.459 119.600 0.284 0.000 1.898 659 M HA 0.594 5.034 4.480 -0.067 0.000 0.191 659 M C 0.799 177.174 176.300 0.124 0.000 1.181 659 M CA 0.081 55.495 55.300 0.192 0.000 0.990 659 M CB 0.208 32.860 32.600 0.087 0.000 1.143 659 M HN 0.746 nan 8.290 nan 0.000 0.540 660 G N -0.008 108.784 108.800 -0.012 0.000 2.568 660 G HA2 -0.121 3.799 3.960 -0.067 0.000 0.222 660 G HA3 -0.121 3.799 3.960 -0.067 0.000 0.222 660 G C -1.527 173.191 174.900 -0.303 0.000 1.321 660 G CA -0.179 44.834 45.100 -0.145 0.000 0.893 660 G HN 0.920 nan 8.290 nan 0.000 0.569 661 L N 1.488 122.486 121.223 -0.376 0.000 2.325 661 L HA 0.879 5.179 4.340 -0.067 0.000 0.279 661 L C -0.213 176.327 176.870 -0.550 0.000 1.054 661 L CA -0.746 53.906 54.840 -0.313 0.000 0.804 661 L CB 1.207 43.178 42.059 -0.146 0.000 1.200 661 L HN 0.786 nan 8.230 nan 0.000 0.436 662 H N 3.415 122.502 119.070 0.028 0.000 3.026 662 H HA 0.313 4.829 4.556 -0.067 0.000 0.352 662 H C -1.215 174.131 175.328 0.030 0.000 1.090 662 H CA -0.792 55.269 56.048 0.022 0.000 1.268 662 H CB 1.730 31.511 29.762 0.030 0.000 1.816 662 H HN 0.532 nan 8.280 nan 0.000 0.518 663 K N 2.633 123.118 120.400 0.141 0.000 2.234 663 K HA 0.273 4.553 4.320 -0.067 0.000 0.277 663 K C -0.573 176.093 176.600 0.110 0.000 1.038 663 K CA -0.874 55.484 56.287 0.118 0.000 0.888 663 K CB 1.037 33.545 32.500 0.015 0.000 1.091 663 K HN 0.286 nan 8.250 nan 0.000 0.467 664 L N 6.522 127.831 121.223 0.142 0.000 2.260 664 L HA 0.238 4.538 4.340 -0.067 0.000 0.289 664 L C -0.734 176.217 176.870 0.134 0.000 1.057 664 L CA -0.427 54.472 54.840 0.099 0.000 0.811 664 L CB 1.006 43.112 42.059 0.077 0.000 1.184 664 L HN 0.360 nan 8.230 nan 0.000 0.429 665 V N 4.530 124.489 119.914 0.075 0.000 2.481 665 V HA 0.832 4.911 4.120 -0.067 0.000 0.286 665 V C -0.173 175.961 176.094 0.067 0.000 1.042 665 V CA -0.408 61.944 62.300 0.085 0.000 0.928 665 V CB 1.337 33.147 31.823 -0.021 0.000 0.986 665 V HN 0.720 nan 8.190 nan 0.000 0.462 666 V N 1.851 121.830 119.914 0.109 0.000 2.962 666 V HA 0.834 4.914 4.120 -0.067 0.000 0.313 666 V C -1.020 175.165 176.094 0.152 0.000 1.099 666 V CA -0.612 61.767 62.300 0.131 0.000 0.971 666 V CB 2.013 33.936 31.823 0.166 0.000 1.028 666 V HN 1.182 nan 8.190 nan 0.000 0.430 667 N N 2.546 121.345 118.700 0.164 0.000 2.310 667 N HA 0.584 5.284 4.740 -0.067 0.000 0.292 667 N C -1.788 173.805 175.510 0.138 0.000 1.049 667 N CA -0.492 52.633 53.050 0.125 0.000 0.849 667 N CB 1.995 40.498 38.487 0.026 0.000 1.532 667 N HN 0.899 nan 8.380 nan 0.000 0.479 668 F N 2.267 122.170 119.950 -0.078 0.000 2.436 668 F HA 0.600 5.086 4.527 -0.067 0.000 0.340 668 F C -0.252 175.414 175.800 -0.223 0.000 1.113 668 F CA -0.543 57.263 58.000 -0.322 0.000 1.022 668 F CB 1.314 40.034 39.000 -0.466 0.000 1.128 668 F HN 0.505 nan 8.300 nan 0.000 0.466 669 E N 3.367 122.951 120.200 -1.027 0.000 2.238 669 E HA 0.682 4.992 4.350 -0.067 0.000 0.267 669 E C -1.407 174.607 176.600 -0.977 0.000 0.887 669 E CA -0.455 55.503 56.400 -0.736 0.000 0.769 669 E CB 1.821 31.279 29.700 -0.404 0.000 1.187 669 E HN 0.714 nan 8.360 nan 0.000 0.416 670 S N 2.068 117.435 115.700 -0.555 0.000 2.636 670 S HA 0.267 4.697 4.470 -0.067 0.000 0.268 670 S C 0.086 174.592 174.600 -0.156 0.000 1.159 670 S CA -0.207 57.780 58.200 -0.356 0.000 0.815 670 S CB 0.648 63.694 63.200 -0.256 0.000 1.130 670 S HN 0.530 nan 8.310 nan 0.000 0.471 671 D N 0.909 121.257 120.400 -0.086 0.000 2.144 671 D HA -0.045 4.555 4.640 -0.067 0.000 0.200 671 D C 1.030 177.325 176.300 -0.009 0.000 0.978 671 D CA 1.280 55.254 54.000 -0.043 0.000 0.833 671 D CB -0.265 40.518 40.800 -0.027 0.000 0.961 671 D HN 0.485 nan 8.370 nan 0.000 0.470 672 K N -0.857 119.554 120.400 0.019 0.000 2.358 672 K HA 0.410 4.689 4.320 -0.067 0.000 0.200 672 K C -0.048 176.605 176.600 0.088 0.000 1.030 672 K CA -0.081 56.243 56.287 0.061 0.000 1.097 672 K CB 1.343 33.895 32.500 0.086 0.000 0.862 672 K HN 0.086 nan 8.250 nan 0.000 0.534 673 L N 1.720 122.986 121.223 0.072 0.000 2.529 673 L HA 0.343 4.642 4.340 -0.067 0.000 0.258 673 L C -1.383 175.522 176.870 0.058 0.000 1.032 673 L CA -0.406 54.500 54.840 0.110 0.000 0.899 673 L CB 1.044 43.220 42.059 0.196 0.000 1.174 673 L HN -0.023 nan 8.230 nan 0.000 0.458 674 K N 2.446 122.870 120.400 0.039 0.000 2.123 674 K HA 0.713 4.993 4.320 -0.067 0.000 0.248 674 K C 0.589 177.210 176.600 0.035 0.000 0.969 674 K CA -0.222 56.060 56.287 -0.008 0.000 0.882 674 K CB 1.853 34.349 32.500 -0.007 0.000 1.080 674 K HN 0.553 nan 8.250 nan 0.000 0.441 675 A N 0.199 123.021 122.820 0.002 0.000 2.466 675 A HA -0.127 4.153 4.320 -0.067 0.000 0.295 675 A C 0.083 177.718 177.584 0.084 0.000 1.465 675 A CA 0.654 52.713 52.037 0.036 0.000 0.744 675 A CB -2.279 16.752 19.000 0.051 0.000 1.098 675 A HN 0.561 nan 8.150 nan 0.000 0.402 676 V N -1.742 118.247 119.914 0.125 0.000 2.394 676 V HA 0.832 4.912 4.120 -0.067 0.000 0.282 676 V C 0.202 176.382 176.094 0.144 0.000 1.031 676 V CA -1.104 61.283 62.300 0.145 0.000 0.881 676 V CB 1.446 33.373 31.823 0.173 0.000 0.982 676 V HN 0.439 nan 8.190 nan 0.000 0.451 677 K N 3.483 123.953 120.400 0.118 0.000 2.148 677 K HA 0.926 5.205 4.320 -0.067 0.000 0.239 677 K C 0.309 176.991 176.600 0.137 0.000 1.018 677 K CA 0.399 56.759 56.287 0.122 0.000 0.923 677 K CB 1.492 34.048 32.500 0.093 0.000 1.117 677 K HN 1.280 nan 8.250 nan 0.000 0.477 678 G N -0.052 108.848 108.800 0.168 0.000 2.632 678 G HA2 0.597 4.517 3.960 -0.067 0.000 0.292 678 G HA3 0.597 4.517 3.960 -0.067 0.000 0.292 678 G C -1.871 173.180 174.900 0.251 0.000 1.465 678 G CA -0.820 44.367 45.100 0.146 0.000 0.824 678 G HN 0.474 nan 8.290 nan 0.000 0.509 679 F N -0.783 119.193 119.950 0.043 0.000 2.744 679 F HA 0.927 5.413 4.527 -0.067 0.000 0.311 679 F C -1.321 174.507 175.800 0.047 0.000 1.144 679 F CA -1.429 56.602 58.000 0.052 0.000 0.938 679 F CB 1.967 41.023 39.000 0.094 0.000 1.292 679 F HN 0.741 nan 8.300 nan 0.000 0.444 680 R N 2.072 122.690 120.500 0.198 0.000 2.535 680 R HA 0.436 4.735 4.340 -0.067 0.000 0.274 680 R C -2.054 174.362 176.300 0.194 0.000 1.090 680 R CA -0.557 55.576 56.100 0.055 0.000 0.930 680 R CB 1.225 31.515 30.300 -0.016 0.000 1.223 680 R HN 0.775 nan 8.270 nan 0.000 0.441 681 N N 2.537 121.344 118.700 0.178 0.000 2.458 681 N HA 0.256 4.955 4.740 -0.067 0.000 0.270 681 N C -1.102 174.461 175.510 0.088 0.000 1.102 681 N CA 0.028 53.168 53.050 0.150 0.000 0.967 681 N CB 1.654 40.225 38.487 0.141 0.000 1.078 681 N HN 0.247 nan 8.380 nan 0.000 0.471 682 V N 4.126 124.095 119.914 0.091 0.000 2.483 682 V HA 0.374 4.454 4.120 -0.067 0.000 0.297 682 V C 0.032 176.166 176.094 0.066 0.000 1.027 682 V CA -0.804 61.543 62.300 0.078 0.000 0.855 682 V CB 1.956 33.838 31.823 0.098 0.000 0.995 682 V HN 0.425 nan 8.190 nan 0.000 0.424 683 I N 5.849 126.442 120.570 0.039 0.000 2.304 683 I HA 0.381 4.511 4.170 -0.067 0.000 0.291 683 I C -0.307 175.835 176.117 0.041 0.000 1.018 683 I CA -0.320 60.989 61.300 0.014 0.000 1.260 683 I CB 1.411 39.413 38.000 0.002 0.000 1.390 683 I HN 0.353 nan 8.210 nan 0.000 0.475 684 I N 5.917 126.526 120.570 0.065 0.000 2.315 684 I HA 0.379 4.509 4.170 -0.067 0.000 0.291 684 I C 0.931 177.083 176.117 0.058 0.000 1.006 684 I CA -0.028 61.327 61.300 0.091 0.000 1.265 684 I CB 0.918 39.026 38.000 0.180 0.000 1.387 684 I HN 0.557 nan 8.210 nan 0.000 0.475 685 G N 7.829 116.653 108.800 0.040 0.000 2.583 685 G HA2 0.623 4.542 3.960 -0.067 0.000 0.280 685 G HA3 0.623 4.542 3.960 -0.067 0.000 0.280 685 G C -2.838 172.077 174.900 0.025 0.000 1.376 685 G CA -1.215 43.901 45.100 0.026 0.000 1.043 685 G HN 0.319 nan 8.290 nan 0.000 0.538 686 P HA 0.283 nan 4.420 nan 0.000 0.275 686 P C 0.333 177.638 177.300 0.008 0.000 1.228 686 P CA 0.184 63.290 63.100 0.010 0.000 0.786 686 P CB 1.477 33.179 31.700 0.005 0.000 0.927 687 A N 3.499 126.322 122.820 0.005 0.000 1.930 687 A HA 0.156 4.436 4.320 -0.067 0.000 0.215 687 A C 0.515 178.100 177.584 0.001 0.000 1.176 687 A CA 1.077 53.116 52.037 0.003 0.000 0.632 687 A CB -0.934 18.066 19.000 -0.000 0.000 0.819 687 A HN 0.607 nan 8.150 nan 0.000 0.445 688 L N 0.000 121.223 121.223 -0.000 0.000 2.949 688 L HA 0.000 4.300 4.340 -0.067 0.000 0.249 688 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 688 L CB 0.000 42.059 42.059 0.000 0.000 0.961 688 L HN 0.000 nan 8.230 nan 0.000 0.502