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_A 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 0.000 176.546 176.600 -0.091 0.000 1.382 4 E CA 0.000 56.358 56.400 -0.069 0.000 0.976 4 E CB 0.000 29.657 29.700 -0.071 0.000 0.812 5 L N 1.918 123.108 121.223 -0.056 0.000 2.493 5 L HA 0.517 4.860 4.340 0.005 0.000 0.265 5 L C -1.029 175.843 176.870 0.003 0.000 0.954 5 L CA -0.878 53.938 54.840 -0.041 0.000 0.844 5 L CB 1.610 43.660 42.059 -0.015 0.000 1.302 5 L HN 0.631 nan 8.230 nan 0.000 0.405 6 V N 3.569 123.495 119.914 0.021 0.000 2.673 6 V HA 0.117 4.240 4.120 0.005 0.000 0.303 6 V C 1.177 177.403 176.094 0.221 0.000 1.046 6 V CA -0.245 62.117 62.300 0.104 0.000 1.126 6 V CB 0.372 32.286 31.823 0.152 0.000 0.934 6 V HN 0.750 nan 8.190 nan 0.000 0.487 7 L N 1.660 123.068 121.223 0.308 0.000 2.035 7 L HA 0.324 4.667 4.340 0.005 0.000 0.207 7 L C 1.201 178.278 176.870 0.346 0.000 1.173 7 L CA 1.234 56.255 54.840 0.302 0.000 0.852 7 L CB -0.607 41.600 42.059 0.248 0.000 0.946 7 L HN 1.075 nan 8.230 nan 0.000 0.483 8 E N 0.726 121.120 120.200 0.322 0.000 6.253 8 E HA -0.156 4.197 4.350 0.005 0.000 0.182 8 E C -0.791 175.764 176.600 -0.074 0.000 1.242 8 E CA -0.082 56.265 56.400 -0.088 0.000 1.417 8 E CB -0.228 29.404 29.700 -0.113 0.000 0.969 8 E HN 0.425 nan 8.360 nan 0.000 0.317 9 R N 2.810 123.272 120.500 -0.064 0.000 2.997 9 R HA 0.452 4.795 4.340 0.005 0.000 0.358 9 R C -0.331 175.914 176.300 -0.092 0.000 1.191 9 R CA 0.059 56.127 56.100 -0.054 0.000 1.113 9 R CB 0.275 30.575 30.300 -0.000 0.000 1.433 9 R HN 0.425 nan 8.270 nan 0.000 0.584 10 C N -0.572 118.642 119.300 -0.144 0.000 2.781 10 C HA 0.121 4.584 4.460 0.005 0.000 0.303 10 C C -1.799 173.101 174.990 -0.150 0.000 1.269 10 C CA -0.783 58.135 59.018 -0.167 0.000 1.225 10 C CB 2.038 29.624 27.740 -0.257 0.000 1.277 10 C HN 0.710 nan 8.230 nan 0.000 0.467 11 D N 1.556 121.882 120.400 -0.123 0.000 2.926 11 D HA 0.231 4.874 4.640 0.005 0.000 0.234 11 D C -1.032 175.253 176.300 -0.024 0.000 1.434 11 D CA -0.159 53.807 54.000 -0.056 0.000 0.951 11 D CB -0.016 40.731 40.800 -0.088 0.000 1.500 11 D HN 0.605 nan 8.370 nan 0.000 0.558 12 L N 1.584 122.814 121.223 0.013 0.000 2.467 12 L HA 0.296 4.639 4.340 0.005 0.000 0.270 12 L C 0.995 177.914 176.870 0.081 0.000 1.205 12 L CA 0.210 55.073 54.840 0.038 0.000 0.828 12 L CB 0.871 42.980 42.059 0.085 0.000 1.101 12 L HN 0.340 nan 8.230 nan 0.000 0.479 13 E N 3.114 123.363 120.200 0.080 0.000 2.541 13 E HA 0.214 4.567 4.350 0.005 0.000 0.219 13 E C -0.248 176.420 176.600 0.114 0.000 0.922 13 E CA -0.352 56.110 56.400 0.102 0.000 1.095 13 E CB 0.479 30.217 29.700 0.063 0.000 1.112 13 E HN 0.444 nan 8.360 nan 0.000 0.516 14 L N 0.898 122.184 121.223 0.105 0.000 0.628 14 L HA -0.289 4.054 4.340 0.005 0.000 0.357 14 L C 0.917 177.798 176.870 0.018 0.000 1.003 14 L CA 1.288 56.184 54.840 0.093 0.000 1.222 14 L CB -0.391 41.785 42.059 0.196 0.000 0.017 14 L HN 0.168 nan 8.230 nan 0.000 0.108 15 E N -1.858 118.333 120.200 -0.014 0.000 2.476 15 E HA 0.066 4.419 4.350 0.005 0.000 0.199 15 E C 1.250 177.791 176.600 -0.098 0.000 1.021 15 E CA 0.533 56.901 56.400 -0.054 0.000 0.907 15 E CB -0.068 29.605 29.700 -0.045 0.000 0.974 15 E HN 0.789 nan 8.360 nan 0.000 0.489 16 T N -1.699 112.780 114.554 -0.124 0.000 3.072 16 T HA -0.018 4.335 4.350 0.005 0.000 0.266 16 T C 1.145 175.714 174.700 -0.219 0.000 1.127 16 T CA 0.935 62.902 62.100 -0.222 0.000 1.107 16 T CB -0.321 68.317 68.868 -0.382 0.000 0.910 16 T HN 0.053 nan 8.240 nan 0.000 0.513 17 N N 1.620 120.235 118.700 -0.141 0.000 2.250 17 N HA 0.150 4.893 4.740 0.005 0.000 0.181 17 N C 2.195 177.635 175.510 -0.117 0.000 1.017 17 N CA 1.084 54.072 53.050 -0.104 0.000 0.866 17 N CB -0.774 37.637 38.487 -0.127 0.000 0.985 17 N HN 0.503 nan 8.380 nan 0.000 0.429 18 G N 1.067 109.782 108.800 -0.142 0.000 2.433 18 G HA2 -0.257 3.706 3.960 0.005 0.000 0.216 18 G HA3 -0.257 3.706 3.960 0.005 0.000 0.216 18 G C 1.551 176.345 174.900 -0.176 0.000 1.186 18 G CA 0.508 45.520 45.100 -0.147 0.000 0.779 18 G HN 0.201 nan 8.290 nan 0.000 0.543 19 R N 0.170 120.557 120.500 -0.189 0.000 2.105 19 R HA -0.075 4.268 4.340 0.005 0.000 0.239 19 R C 2.241 178.315 176.300 -0.376 0.000 1.135 19 R CA 1.534 57.483 56.100 -0.251 0.000 0.967 19 R CB -0.312 29.862 30.300 -0.209 0.000 0.861 19 R HN 0.280 nan 8.270 nan 0.000 0.442 20 D N -0.846 119.387 120.400 -0.278 0.000 2.144 20 D HA -0.091 4.552 4.640 0.005 0.000 0.200 20 D C 1.232 177.307 176.300 -0.375 0.000 0.978 20 D CA 1.096 54.921 54.000 -0.292 0.000 0.833 20 D CB 0.019 40.748 40.800 -0.120 0.000 0.961 20 D HN 0.373 nan 8.370 nan 0.000 0.470 21 H N -1.096 117.770 119.070 -0.339 0.000 2.517 21 H HA 0.108 4.667 4.556 0.005 0.000 0.282 21 H C -0.224 174.960 175.328 -0.241 0.000 1.023 21 H CA -0.014 55.900 56.048 -0.224 0.000 1.169 21 H CB 0.154 29.819 29.762 -0.162 0.000 1.454 21 H HN 0.247 nan 8.280 nan 0.000 0.556 22 H N 0.464 119.301 119.070 -0.388 0.000 2.748 22 H HA -0.146 4.414 4.556 0.005 0.000 0.322 22 H C 0.503 175.652 175.328 -0.299 0.000 1.208 22 H CA 1.106 56.889 56.048 -0.441 0.000 1.151 22 H CB -1.932 27.267 29.762 -0.938 0.000 1.505 22 H HN 0.471 nan 8.280 nan 0.000 0.429 23 T N -4.673 109.768 114.554 -0.188 0.000 3.475 23 T HA 0.649 5.002 4.350 0.005 0.000 0.310 23 T C 1.627 176.188 174.700 -0.231 0.000 0.963 23 T CA 0.094 62.043 62.100 -0.251 0.000 0.985 23 T CB 0.344 69.115 68.868 -0.163 0.000 1.198 23 T HN 0.481 nan 8.240 nan 0.000 0.508 24 A N 2.604 125.313 122.820 -0.185 0.000 1.873 24 A HA -0.130 4.193 4.320 0.005 0.000 0.218 24 A C 2.037 179.580 177.584 -0.069 0.000 1.193 24 A CA 2.119 54.089 52.037 -0.112 0.000 0.629 24 A CB -0.840 18.115 19.000 -0.075 0.000 0.826 24 A HN 0.491 nan 8.150 nan 0.000 0.447 25 D N -0.518 119.843 120.400 -0.064 0.000 2.123 25 D HA -0.116 4.527 4.640 0.005 0.000 0.196 25 D C 1.604 177.890 176.300 -0.023 0.000 0.992 25 D CA 0.941 54.967 54.000 0.043 0.000 0.833 25 D CB -0.395 40.428 40.800 0.038 0.000 0.954 25 D HN 0.275 nan 8.370 nan 0.000 0.455 26 L N 0.162 121.267 121.223 -0.196 0.000 2.465 26 L HA -0.017 4.326 4.340 0.005 0.000 0.224 26 L C 0.669 177.500 176.870 -0.065 0.000 1.145 26 L CA 0.446 55.205 54.840 -0.134 0.000 0.834 26 L CB -0.122 41.785 42.059 -0.253 0.000 0.944 26 L HN 0.008 nan 8.230 nan 0.000 0.451 27 C N 1.520 120.778 119.300 -0.070 0.000 2.298 27 C HA 0.336 4.799 4.460 0.005 0.000 0.451 27 C C 0.647 175.627 174.990 -0.017 0.000 1.028 27 C CA -0.584 58.404 59.018 -0.050 0.000 1.324 27 C CB -1.825 25.870 27.740 -0.075 0.000 1.534 27 C HN 0.243 nan 8.230 nan 0.000 0.528 28 R N 1.681 122.182 120.500 0.001 0.000 2.483 28 R HA 0.285 4.628 4.340 0.005 0.000 0.303 28 R C -0.298 176.011 176.300 0.014 0.000 0.987 28 R CA -0.535 55.573 56.100 0.012 0.000 0.881 28 R CB 1.110 31.428 30.300 0.030 0.000 1.177 28 R HN 0.404 nan 8.270 nan 0.000 0.451 29 E N 2.235 122.441 120.200 0.011 0.000 2.183 29 E HA -0.258 4.095 4.350 0.005 0.000 0.196 29 E C -1.193 175.421 176.600 0.024 0.000 1.364 29 E CA 1.384 57.793 56.400 0.015 0.000 0.700 29 E CB -0.761 28.948 29.700 0.015 0.000 1.106 29 E HN 0.545 nan 8.360 nan 0.000 0.347 30 K N -0.004 120.411 120.400 0.026 0.000 3.050 30 K HA 0.055 4.378 4.320 0.005 0.000 0.385 30 K C -1.403 175.213 176.600 0.028 0.000 1.321 30 K CA -0.587 55.726 56.287 0.044 0.000 1.048 30 K CB -0.084 32.444 32.500 0.046 0.000 1.279 30 K HN 0.091 nan 8.250 nan 0.000 0.441 31 L N 4.544 125.788 121.223 0.035 0.000 2.453 31 L HA 0.434 4.777 4.340 0.005 0.000 0.272 31 L C -1.065 175.789 176.870 -0.027 0.000 1.182 31 L CA 0.478 55.303 54.840 -0.026 0.000 0.858 31 L CB 1.275 43.301 42.059 -0.054 0.000 1.120 31 L HN 0.307 nan 8.230 nan 0.000 0.474 32 V N 5.912 125.759 119.914 -0.111 0.000 2.588 32 V HA 0.756 4.879 4.120 0.005 0.000 0.304 32 V C -0.291 175.655 176.094 -0.247 0.000 1.042 32 V CA -0.267 61.972 62.300 -0.101 0.000 0.877 32 V CB 1.678 33.467 31.823 -0.057 0.000 0.996 32 V HN 0.803 nan 8.190 nan 0.000 0.425 33 V N 2.256 122.003 119.914 -0.280 0.000 3.182 33 V HA 0.753 4.876 4.120 0.005 0.000 0.308 33 V C -0.930 175.143 176.094 -0.035 0.000 1.240 33 V CA -1.270 60.786 62.300 -0.405 0.000 1.063 33 V CB 2.548 33.751 31.823 -1.034 0.000 1.076 33 V HN 0.801 nan 8.190 nan 0.000 0.446 34 R N 1.142 121.821 120.500 0.298 0.000 2.437 34 R HA 0.559 4.902 4.340 0.005 0.000 0.310 34 R C -0.131 176.262 176.300 0.154 0.000 0.955 34 R CA -0.843 55.387 56.100 0.217 0.000 0.851 34 R CB 2.000 32.455 30.300 0.257 0.000 1.161 34 R HN 0.975 nan 8.270 nan 0.000 0.446 35 R N 0.793 121.327 120.500 0.056 0.000 2.802 35 R HA 0.051 4.394 4.340 0.005 0.000 0.264 35 R C 0.509 176.807 176.300 -0.004 0.000 0.996 35 R CA 0.824 56.910 56.100 -0.023 0.000 1.123 35 R CB 0.006 30.279 30.300 -0.045 0.000 0.996 35 R HN 0.812 nan 8.270 nan 0.000 0.444 36 G N -0.028 108.721 108.800 -0.085 0.000 2.148 36 G HA2 -0.352 3.611 3.960 0.005 0.000 0.254 36 G HA3 -0.352 3.611 3.960 0.005 0.000 0.254 36 G C -0.117 174.751 174.900 -0.053 0.000 0.981 36 G CA 0.720 45.776 45.100 -0.074 0.000 0.670 36 G HN 0.816 nan 8.290 nan 0.000 0.528 37 Q N -0.025 119.761 119.800 -0.023 0.000 2.421 37 Q HA 0.614 4.957 4.340 0.005 0.000 0.280 37 Q C -2.869 173.198 176.000 0.112 0.000 1.085 37 Q CA -2.161 53.626 55.803 -0.027 0.000 0.807 37 Q CB 3.285 31.903 28.738 -0.200 0.000 1.405 37 Q HN 0.203 nan 8.270 nan 0.000 0.419 38 P HA 0.353 nan 4.420 nan 0.000 0.284 38 P C -1.389 176.112 177.300 0.336 0.000 1.258 38 P CA -0.307 62.851 63.100 0.097 0.000 0.824 38 P CB 0.591 32.283 31.700 -0.014 0.000 1.038 39 F N -1.353 118.642 119.950 0.075 0.000 2.578 39 F HA 0.573 5.103 4.527 0.004 0.000 0.311 39 F C -0.573 175.315 175.800 0.148 0.000 1.094 39 F CA -1.589 56.455 58.000 0.074 0.000 0.923 39 F CB 0.361 39.253 39.000 -0.181 0.000 1.230 39 F HN 0.186 nan 8.300 nan 0.000 0.450 40 W N 3.436 124.773 121.300 0.062 0.000 2.160 40 W HA 0.433 5.096 4.660 0.004 0.000 0.352 40 W C -0.312 176.211 176.519 0.007 0.000 1.288 40 W CA -0.773 56.570 57.345 -0.003 0.000 1.279 40 W CB 0.556 30.030 29.460 0.024 0.000 1.181 40 W HN 0.736 nan 8.180 nan 0.000 0.593 41 L N 3.365 124.657 121.223 0.115 0.000 2.722 41 L HA 0.110 4.453 4.340 0.005 0.000 0.244 41 L C -0.068 176.790 176.870 -0.020 0.000 1.023 41 L CA -0.251 54.619 54.840 0.050 0.000 0.988 41 L CB 0.085 42.113 42.059 -0.051 0.000 1.245 41 L HN 0.454 nan 8.230 nan 0.000 0.508 42 T N 1.006 115.569 114.554 0.014 0.000 2.897 42 T HA 0.606 4.959 4.350 0.005 0.000 0.294 42 T C -0.179 174.552 174.700 0.052 0.000 1.004 42 T CA -0.468 61.617 62.100 -0.026 0.000 1.106 42 T CB 1.563 70.432 68.868 0.003 0.000 0.949 42 T HN 0.394 nan 8.240 nan 0.000 0.520 43 L N 2.771 123.976 121.223 -0.029 0.000 2.346 43 L HA 0.480 4.823 4.340 0.005 0.000 0.276 43 L C -0.698 176.074 176.870 -0.164 0.000 1.006 43 L CA -1.118 53.686 54.840 -0.060 0.000 0.817 43 L CB 1.744 43.720 42.059 -0.138 0.000 1.272 43 L HN 0.788 nan 8.230 nan 0.000 0.421 44 H N 2.601 121.497 119.070 -0.289 0.000 2.587 44 H HA 0.511 5.069 4.556 0.004 0.000 0.325 44 H C -1.002 174.167 175.328 -0.265 0.000 1.012 44 H CA -0.412 55.542 56.048 -0.156 0.000 1.213 44 H CB 1.035 30.751 29.762 -0.077 0.000 1.431 44 H HN 0.194 nan 8.280 nan 0.000 0.492 45 F N 0.338 120.353 119.950 0.108 0.000 2.483 45 F HA 0.338 4.867 4.527 0.004 0.000 0.329 45 F C 0.826 176.672 175.800 0.076 0.000 1.064 45 F CA -0.885 57.169 58.000 0.091 0.000 0.986 45 F CB 1.174 40.222 39.000 0.080 0.000 1.218 45 F HN 0.382 nan 8.300 nan 0.000 0.484 46 E N 0.372 120.725 120.200 0.255 0.000 2.242 46 E HA 0.412 4.765 4.350 0.005 0.000 0.275 46 E C 0.875 177.554 176.600 0.131 0.000 1.002 46 E CA 0.552 57.045 56.400 0.155 0.000 0.841 46 E CB 1.537 31.301 29.700 0.108 0.000 1.109 46 E HN 0.751 nan 8.360 nan 0.000 0.394 47 G N 5.119 113.973 108.800 0.091 0.000 4.862 47 G HA2 -0.381 3.582 3.960 0.005 0.000 0.344 47 G HA3 -0.381 3.582 3.960 0.005 0.000 0.344 47 G C 0.554 175.484 174.900 0.049 0.000 1.365 47 G CA 0.898 46.034 45.100 0.060 0.000 1.066 47 G HN 0.591 nan 8.290 nan 0.000 0.808 48 R N 1.411 121.936 120.500 0.042 0.000 2.410 48 R HA 0.449 4.792 4.340 0.005 0.000 0.288 48 R C 0.767 177.044 176.300 -0.039 0.000 1.051 48 R CA -0.288 55.806 56.100 -0.010 0.000 1.021 48 R CB 0.491 30.765 30.300 -0.043 0.000 1.032 48 R HN 0.552 nan 8.270 nan 0.000 0.481 49 N N 1.318 119.961 118.700 -0.095 0.000 2.465 49 N HA -0.016 4.727 4.740 0.005 0.000 0.294 49 N C -1.111 174.174 175.510 -0.375 0.000 1.333 49 N CA -0.227 52.728 53.050 -0.159 0.000 0.932 49 N CB 0.181 38.629 38.487 -0.066 0.000 1.092 49 N HN 0.488 nan 8.380 nan 0.000 0.519 50 Y N 0.448 120.471 120.300 -0.462 0.000 2.308 50 Y HA 0.249 4.801 4.550 0.004 0.000 0.329 50 Y C -0.573 175.177 175.900 -0.251 0.000 1.111 50 Y CA -0.542 57.283 58.100 -0.458 0.000 1.179 50 Y CB 0.882 39.141 38.460 -0.334 0.000 1.201 50 Y HN 0.367 nan 8.280 nan 0.000 0.483 51 E N 4.582 124.250 120.200 -0.887 0.000 2.121 51 E HA 0.379 4.732 4.350 0.005 0.000 0.255 51 E C 0.408 176.401 176.600 -1.012 0.000 0.906 51 E CA 0.188 56.155 56.400 -0.721 0.000 0.745 51 E CB 1.007 30.464 29.700 -0.405 0.000 1.155 51 E HN 0.810 nan 8.360 nan 0.000 0.424 52 A N 2.606 124.849 122.820 -0.961 0.000 1.986 52 A HA -0.240 4.083 4.320 0.005 0.000 0.220 52 A C 1.926 179.319 177.584 -0.319 0.000 1.171 52 A CA 2.126 53.814 52.037 -0.582 0.000 0.640 52 A CB -0.382 18.503 19.000 -0.193 0.000 0.811 52 A HN 0.587 nan 8.150 nan 0.000 0.451 53 S N -0.792 114.740 115.700 -0.281 0.000 2.482 53 S HA -0.197 4.276 4.470 0.005 0.000 0.226 53 S C 1.866 176.369 174.600 -0.161 0.000 1.048 53 S CA 1.601 59.696 58.200 -0.176 0.000 1.158 53 S CB -1.106 61.999 63.200 -0.158 0.000 1.130 53 S HN 0.624 nan 8.310 nan 0.000 0.413 54 V N 2.326 122.131 119.914 -0.181 0.000 2.649 54 V HA 0.026 4.149 4.120 0.005 0.000 0.248 54 V C -0.401 175.594 176.094 -0.165 0.000 1.054 54 V CA 0.972 63.181 62.300 -0.151 0.000 1.073 54 V CB -0.544 31.192 31.823 -0.145 0.000 0.699 54 V HN 0.304 nan 8.190 nan 0.000 0.463 55 D N 1.240 121.502 120.400 -0.229 0.000 2.351 55 D HA 0.292 4.934 4.640 0.005 0.000 0.251 55 D C -0.229 176.059 176.300 -0.020 0.000 1.137 55 D CA 0.596 54.505 54.000 -0.152 0.000 0.879 55 D CB 1.411 42.076 40.800 -0.224 0.000 1.181 55 D HN 0.258 nan 8.370 nan 0.000 0.448 56 S N 2.815 118.527 115.700 0.020 0.000 2.389 56 S HA 0.353 4.826 4.470 0.005 0.000 0.201 56 S C -0.668 173.919 174.600 -0.022 0.000 1.422 56 S CA -0.906 57.309 58.200 0.026 0.000 1.216 56 S CB -0.379 62.810 63.200 -0.019 0.000 1.130 56 S HN 0.408 nan 8.310 nan 0.000 0.465 57 L N 2.804 124.001 121.223 -0.043 0.000 2.295 57 L HA 0.860 5.203 4.340 0.005 0.000 0.285 57 L C -0.178 176.472 176.870 -0.366 0.000 1.035 57 L CA -0.482 54.240 54.840 -0.196 0.000 0.806 57 L CB 1.423 43.354 42.059 -0.213 0.000 1.214 57 L HN 0.503 nan 8.230 nan 0.000 0.426 58 T N 1.652 115.995 114.554 -0.352 0.000 2.856 58 T HA 0.614 4.967 4.350 0.005 0.000 0.283 58 T C -0.529 173.903 174.700 -0.446 0.000 1.008 58 T CA -0.380 61.495 62.100 -0.376 0.000 0.997 58 T CB 1.058 69.815 68.868 -0.186 0.000 0.992 58 T HN 0.497 nan 8.240 nan 0.000 0.454 59 F N 1.919 121.674 119.950 -0.324 0.000 2.411 59 F HA 0.672 5.202 4.527 0.004 0.000 0.324 59 F C 0.918 176.295 175.800 -0.706 0.000 1.086 59 F CA -0.632 57.063 58.000 -0.507 0.000 1.028 59 F CB 1.990 40.600 39.000 -0.650 0.000 1.284 59 F HN 0.839 nan 8.300 nan 0.000 0.501 60 S N 0.165 115.707 115.700 -0.262 0.000 2.548 60 S HA 0.655 5.128 4.470 0.005 0.000 0.278 60 S C -1.361 173.207 174.600 -0.053 0.000 1.150 60 S CA -0.963 57.103 58.200 -0.223 0.000 0.907 60 S CB 1.128 64.260 63.200 -0.113 0.000 1.108 60 S HN 0.884 nan 8.310 nan 0.000 0.459 61 V N -0.328 119.574 119.914 -0.020 0.000 2.733 61 V HA 0.981 5.104 4.120 0.005 0.000 0.306 61 V C -0.253 175.858 176.094 0.029 0.000 1.084 61 V CA -0.584 61.771 62.300 0.092 0.000 0.905 61 V CB 0.910 32.911 31.823 0.297 0.000 1.010 61 V HN 1.775 nan 8.190 nan 0.000 0.424 62 V N 1.148 121.066 119.914 0.007 0.000 2.960 62 V HA 0.858 4.981 4.120 0.005 0.000 0.315 62 V C 0.213 176.135 176.094 -0.287 0.000 1.087 62 V CA 0.642 62.881 62.300 -0.101 0.000 0.982 62 V CB 1.568 33.347 31.823 -0.074 0.000 1.039 62 V HN 1.158 nan 8.190 nan 0.000 0.437 63 T N 1.861 116.162 114.554 -0.421 0.000 3.361 63 T HA 0.393 4.746 4.350 0.005 0.000 0.241 63 T C 1.078 175.618 174.700 -0.268 0.000 0.998 63 T CA 0.776 62.510 62.100 -0.609 0.000 1.215 63 T CB -0.401 67.738 68.868 -1.214 0.000 1.196 63 T HN 1.503 nan 8.240 nan 0.000 0.376 64 G N 2.426 111.123 108.800 -0.172 0.000 2.771 64 G HA2 0.232 4.195 3.960 0.005 0.000 0.242 64 G HA3 0.232 4.195 3.960 0.005 0.000 0.242 64 G C -1.257 173.627 174.900 -0.028 0.000 1.233 64 G CA -0.166 44.903 45.100 -0.051 0.000 0.858 64 G HN 0.408 nan 8.290 nan 0.000 0.591 65 P HA 0.107 nan 4.420 nan 0.000 0.237 65 P C 0.224 177.512 177.300 -0.020 0.000 1.178 65 P CA 1.188 64.302 63.100 0.024 0.000 0.766 65 P CB 0.544 32.293 31.700 0.082 0.000 0.876 66 A N 0.280 123.074 122.820 -0.044 0.000 3.216 66 A HA 0.556 4.879 4.320 0.005 0.000 0.321 66 A C -2.589 174.965 177.584 -0.050 0.000 1.042 66 A CA -1.430 50.577 52.037 -0.049 0.000 0.838 66 A CB -0.039 18.921 19.000 -0.067 0.000 1.136 66 A HN -0.024 nan 8.150 nan 0.000 0.483 67 P HA 0.212 nan 4.420 nan 0.000 0.273 67 P C 0.197 177.473 177.300 -0.040 0.000 1.248 67 P CA 0.444 63.511 63.100 -0.056 0.000 0.817 67 P CB 0.400 32.066 31.700 -0.058 0.000 0.995 68 S N -1.642 114.038 115.700 -0.035 0.000 2.709 68 S HA 0.113 4.586 4.470 0.005 0.000 0.305 68 S C 0.236 174.829 174.600 -0.012 0.000 0.974 68 S CA -0.531 57.657 58.200 -0.020 0.000 0.837 68 S CB 0.602 63.793 63.200 -0.014 0.000 1.032 68 S HN 0.357 nan 8.310 nan 0.000 0.461 69 Q N 2.562 122.358 119.800 -0.006 0.000 2.083 69 Q HA 0.071 4.414 4.340 0.005 0.000 0.198 69 Q C 1.698 177.713 176.000 0.025 0.000 0.969 69 Q CA 2.355 58.160 55.803 0.004 0.000 0.838 69 Q CB -0.122 28.621 28.738 0.008 0.000 0.900 69 Q HN 0.825 nan 8.270 nan 0.000 0.436 70 E N -1.105 119.108 120.200 0.021 0.000 2.158 70 E HA -0.044 4.309 4.350 0.005 0.000 0.191 70 E C 0.943 177.562 176.600 0.032 0.000 0.982 70 E CA 0.736 57.153 56.400 0.028 0.000 0.823 70 E CB -0.088 29.623 29.700 0.018 0.000 0.766 70 E HN 0.385 nan 8.360 nan 0.000 0.468 71 A N 0.382 123.216 122.820 0.023 0.000 2.302 71 A HA 0.287 4.610 4.320 0.005 0.000 0.219 71 A C 1.493 179.109 177.584 0.053 0.000 1.243 71 A CA 0.614 52.666 52.037 0.025 0.000 0.856 71 A CB -0.685 18.317 19.000 0.004 0.000 0.893 71 A HN 0.410 nan 8.150 nan 0.000 0.491 72 G N -0.186 108.660 108.800 0.077 0.000 2.296 72 G HA2 -0.332 3.631 3.960 0.005 0.000 0.282 72 G HA3 -0.332 3.631 3.960 0.005 0.000 0.282 72 G C 0.750 175.740 174.900 0.151 0.000 1.014 72 G CA 1.436 46.620 45.100 0.139 0.000 0.812 72 G HN 1.385 nan 8.290 nan 0.000 0.508 73 T N -3.761 110.834 114.554 0.069 0.000 3.084 73 T HA 0.548 4.900 4.350 0.005 0.000 0.270 73 T C 0.261 174.934 174.700 -0.045 0.000 1.008 73 T CA 0.705 62.818 62.100 0.022 0.000 0.900 73 T CB 0.720 69.577 68.868 -0.018 0.000 1.084 73 T HN 0.745 nan 8.240 nan 0.000 0.538 74 K N 0.209 120.584 120.400 -0.042 0.000 2.572 74 K HA 0.640 4.962 4.320 0.005 0.000 0.263 74 K C -2.314 174.199 176.600 -0.145 0.000 0.932 74 K CA -0.624 55.609 56.287 -0.091 0.000 0.838 74 K CB 1.916 34.377 32.500 -0.065 0.000 1.366 74 K HN 0.208 nan 8.250 nan 0.000 0.425 75 A N 3.329 126.018 122.820 -0.218 0.000 2.555 75 A HA 0.559 4.882 4.320 0.005 0.000 0.297 75 A C -1.714 175.820 177.584 -0.082 0.000 1.060 75 A CA -1.009 50.907 52.037 -0.202 0.000 0.710 75 A CB 1.190 19.887 19.000 -0.506 0.000 1.282 75 A HN 0.833 nan 8.150 nan 0.000 0.399 76 R N 0.458 120.958 120.500 0.001 0.000 2.711 76 R HA 0.930 5.272 4.340 0.005 0.000 0.284 76 R C -1.193 175.154 176.300 0.077 0.000 0.968 76 R CA -0.604 55.435 56.100 -0.101 0.000 0.924 76 R CB 1.348 31.595 30.300 -0.088 0.000 1.162 76 R HN 1.019 nan 8.270 nan 0.000 0.465 77 F N -2.016 118.009 119.950 0.124 0.000 2.641 77 F HA 0.597 5.127 4.527 0.004 0.000 0.308 77 F C -3.006 172.860 175.800 0.110 0.000 1.105 77 F CA -3.365 54.718 58.000 0.139 0.000 0.964 77 F CB 1.049 40.179 39.000 0.217 0.000 1.294 77 F HN 0.337 nan 8.300 nan 0.000 0.442 78 P HA 0.103 nan 4.420 nan 0.000 0.271 78 P C -0.976 176.402 177.300 0.131 0.000 1.233 78 P CA -0.429 62.728 63.100 0.094 0.000 0.789 78 P CB 0.694 32.449 31.700 0.092 0.000 0.951 79 L N 3.305 124.516 121.223 -0.019 0.000 2.276 79 L HA 0.451 4.794 4.340 0.005 0.000 0.286 79 L C -0.062 176.818 176.870 0.017 0.000 1.024 79 L CA -0.287 54.543 54.840 -0.018 0.000 0.826 79 L CB 0.113 42.012 42.059 -0.267 0.000 1.211 79 L HN 0.565 nan 8.230 nan 0.000 0.422 80 R N 2.936 123.472 120.500 0.060 0.000 3.212 80 R HA 0.655 4.998 4.340 0.005 0.000 0.240 80 R C -0.950 175.376 176.300 0.043 0.000 1.470 80 R CA -0.597 55.534 56.100 0.051 0.000 1.041 80 R CB 0.672 31.005 30.300 0.055 0.000 1.494 80 R HN 0.418 nan 8.270 nan 0.000 0.502 81 D N -1.425 118.997 120.400 0.036 0.000 2.594 81 D HA 0.293 4.936 4.640 0.005 0.000 0.256 81 D C 0.349 176.662 176.300 0.021 0.000 1.393 81 D CA -0.288 53.727 54.000 0.025 0.000 0.797 81 D CB 0.808 41.623 40.800 0.025 0.000 1.110 81 D HN 0.505 nan 8.370 nan 0.000 0.495 82 A N -0.032 122.803 122.820 0.025 0.000 3.272 82 A HA 0.774 5.097 4.320 0.005 0.000 0.201 82 A C 0.459 178.053 177.584 0.015 0.000 2.039 82 A CA 0.526 52.575 52.037 0.020 0.000 0.955 82 A CB 0.277 19.292 19.000 0.025 0.000 1.292 82 A HN 0.384 nan 8.150 nan 0.000 0.453 87 D N -0.215 120.185 120.400 -0.000 0.000 4.313 87 D HA -0.219 4.424 4.640 0.005 0.000 0.292 87 D C 0.211 176.383 176.300 -0.214 0.000 1.456 87 D CA 2.248 56.190 54.000 -0.097 0.000 1.766 87 D CB -0.676 40.059 40.800 -0.108 0.000 1.014 87 D HN 0.488 nan 8.370 nan 0.000 0.771 88 W N 2.171 123.367 121.300 -0.173 0.000 2.430 88 W HA 0.303 4.965 4.660 0.004 0.000 0.380 88 W C 1.053 177.150 176.519 -0.703 0.000 1.045 88 W CA 0.028 57.105 57.345 -0.446 0.000 1.547 88 W CB 0.299 29.572 29.460 -0.312 0.000 1.554 88 W HN -0.026 nan 8.180 nan 0.000 0.378 89 T N 0.581 114.859 114.554 -0.460 0.000 2.949 89 T HA 0.908 5.261 4.350 0.005 0.000 0.287 89 T C -0.533 174.033 174.700 -0.223 0.000 1.034 89 T CA -0.902 61.042 62.100 -0.261 0.000 1.018 89 T CB 2.025 70.820 68.868 -0.121 0.000 1.135 89 T HN 0.435 nan 8.240 nan 0.000 0.532 90 A N 1.619 124.508 122.820 0.114 0.000 2.512 90 A HA 0.699 5.022 4.320 0.005 0.000 0.294 90 A C -0.184 177.521 177.584 0.200 0.000 1.054 90 A CA -0.459 51.736 52.037 0.264 0.000 0.756 90 A CB 0.990 20.485 19.000 0.826 0.000 1.293 90 A HN 1.539 nan 8.150 nan 0.000 0.395 91 T N -1.457 113.156 114.554 0.098 0.000 2.900 91 T HA 0.656 5.009 4.350 0.005 0.000 0.303 91 T C -0.714 173.998 174.700 0.020 0.000 1.142 91 T CA -0.439 61.694 62.100 0.056 0.000 1.007 91 T CB 1.261 70.142 68.868 0.021 0.000 1.156 91 T HN 1.886 nan 8.240 nan 0.000 0.490 92 V N 3.346 123.262 119.914 0.004 0.000 2.427 92 V HA 0.440 4.563 4.120 0.005 0.000 0.268 92 V C 0.856 176.927 176.094 -0.038 0.000 1.046 92 V CA 0.113 62.397 62.300 -0.027 0.000 0.970 92 V CB 0.641 32.451 31.823 -0.021 0.000 1.001 92 V HN 0.923 nan 8.190 nan 0.000 0.476 93 V N 5.706 125.573 119.914 -0.078 0.000 3.590 93 V HA 0.348 4.471 4.120 0.005 0.000 0.265 93 V C 0.441 176.477 176.094 -0.097 0.000 1.239 93 V CA 1.516 63.764 62.300 -0.086 0.000 1.117 93 V CB -0.155 31.593 31.823 -0.126 0.000 0.818 93 V HN 1.084 nan 8.190 nan 0.000 0.451 94 D N -0.900 119.435 120.400 -0.108 0.000 2.890 94 D HA 0.258 4.901 4.640 0.005 0.000 0.306 94 D C -1.690 174.560 176.300 -0.083 0.000 1.280 94 D CA -0.267 53.676 54.000 -0.095 0.000 0.742 94 D CB 1.072 41.791 40.800 -0.134 0.000 1.266 94 D HN 0.162 nan 8.370 nan 0.000 0.433 95 Q N 1.206 120.969 119.800 -0.062 0.000 2.825 95 Q HA 0.285 4.628 4.340 0.005 0.000 0.219 95 Q C -2.288 173.695 176.000 -0.027 0.000 0.942 95 Q CA -0.562 55.219 55.803 -0.036 0.000 1.147 95 Q CB 0.885 29.630 28.738 0.012 0.000 1.723 95 Q HN 0.542 nan 8.270 nan 0.000 0.541 96 Q N 3.523 123.303 119.800 -0.033 0.000 2.426 96 Q HA 0.384 4.727 4.340 0.005 0.000 0.278 96 Q C -0.605 175.386 176.000 -0.015 0.000 1.007 96 Q CA 0.540 56.329 55.803 -0.022 0.000 0.850 96 Q CB 2.133 30.856 28.738 -0.026 0.000 1.427 96 Q HN 0.766 nan 8.270 nan 0.000 0.391 97 D N 1.056 121.454 120.400 -0.003 0.000 4.493 97 D HA -0.270 4.373 4.640 0.005 0.000 0.184 97 D C 0.048 176.364 176.300 0.026 0.000 0.799 97 D CA 2.902 56.908 54.000 0.010 0.000 1.795 97 D CB -1.386 39.420 40.800 0.011 0.000 1.062 97 D HN 0.755 nan 8.370 nan 0.000 0.445 98 C N -0.719 118.607 119.300 0.043 0.000 4.403 98 C HA 0.385 4.847 4.460 0.005 0.000 0.408 98 C C 0.429 175.518 174.990 0.164 0.000 1.714 98 C CA 0.368 59.453 59.018 0.111 0.000 2.002 98 C CB -0.743 27.080 27.740 0.137 0.000 3.129 98 C HN 0.774 nan 8.230 nan 0.000 0.662 99 T N 0.014 114.564 114.554 -0.008 0.000 2.899 99 T HA 0.559 4.912 4.350 0.005 0.000 0.295 99 T C -0.782 173.903 174.700 -0.024 0.000 1.033 99 T CA -0.000 61.993 62.100 -0.178 0.000 1.084 99 T CB 1.612 70.223 68.868 -0.430 0.000 0.979 99 T HN 0.239 nan 8.240 nan 0.000 0.532 100 L N 2.460 123.673 121.223 -0.017 0.000 2.563 100 L HA 0.449 4.792 4.340 0.005 0.000 0.259 100 L C -0.130 176.708 176.870 -0.053 0.000 1.034 100 L CA -0.384 54.479 54.840 0.038 0.000 0.899 100 L CB 1.426 43.628 42.059 0.239 0.000 1.159 100 L HN 0.958 nan 8.230 nan 0.000 0.456 101 S N 4.733 120.342 115.700 -0.152 0.000 2.499 101 S HA 0.772 5.245 4.470 0.005 0.000 0.275 101 S C -0.108 174.371 174.600 -0.202 0.000 1.257 101 S CA -0.690 57.367 58.200 -0.239 0.000 1.050 101 S CB 1.066 63.992 63.200 -0.455 0.000 0.937 101 S HN 0.465 nan 8.310 nan 0.000 0.490 102 L N 1.840 122.967 121.223 -0.159 0.000 2.391 102 L HA 0.651 4.994 4.340 0.005 0.000 0.266 102 L C 0.259 177.037 176.870 -0.154 0.000 1.035 102 L CA -0.694 54.083 54.840 -0.106 0.000 0.877 102 L CB 0.190 42.250 42.059 0.002 0.000 1.504 102 L HN 0.792 nan 8.230 nan 0.000 0.503 103 Q N 0.654 120.375 119.800 -0.131 0.000 2.406 103 Q HA 0.443 4.786 4.340 0.005 0.000 0.244 103 Q C -1.714 174.132 176.000 -0.258 0.000 0.884 103 Q CA -0.564 55.135 55.803 -0.174 0.000 0.813 103 Q CB 2.424 31.122 28.738 -0.067 0.000 1.368 103 Q HN 0.233 nan 8.270 nan 0.000 0.439 104 L N 1.188 122.078 121.223 -0.555 0.000 2.360 104 L HA 0.613 4.956 4.340 0.005 0.000 0.271 104 L C 0.280 176.822 176.870 -0.547 0.000 1.057 104 L CA 0.110 54.601 54.840 -0.582 0.000 0.803 104 L CB 1.804 43.388 42.059 -0.793 0.000 1.207 104 L HN 0.421 nan 8.230 nan 0.000 0.445 105 T N 0.483 114.800 114.554 -0.394 0.000 2.921 105 T HA 0.587 4.940 4.350 0.005 0.000 0.297 105 T C -0.400 174.003 174.700 -0.494 0.000 1.013 105 T CA -0.686 61.221 62.100 -0.322 0.000 0.990 105 T CB 1.424 70.146 68.868 -0.243 0.000 1.023 105 T HN 0.681 nan 8.240 nan 0.000 0.447 106 T N 2.800 117.052 114.554 -0.503 0.000 2.944 106 T HA 0.662 5.015 4.350 0.005 0.000 0.284 106 T C -2.687 171.615 174.700 -0.663 0.000 1.010 106 T CA -2.238 59.306 62.100 -0.928 0.000 1.025 106 T CB 1.230 69.662 68.868 -0.726 0.000 1.079 106 T HN 0.172 nan 8.240 nan 0.000 0.516 107 P HA 0.386 nan 4.420 nan 0.000 0.274 107 P C -0.263 176.922 177.300 -0.192 0.000 1.256 107 P CA -0.573 62.314 63.100 -0.355 0.000 0.795 107 P CB 0.294 31.846 31.700 -0.247 0.000 1.038 108 A N 1.634 124.400 122.820 -0.089 0.000 2.532 108 A HA 0.108 4.430 4.320 0.005 0.000 0.273 108 A C 0.584 178.190 177.584 0.038 0.000 1.342 108 A CA 0.152 52.178 52.037 -0.019 0.000 0.929 108 A CB -1.205 17.788 19.000 -0.012 0.000 1.051 108 A HN 0.654 nan 8.150 nan 0.000 0.521 109 N N -1.475 117.244 118.700 0.033 0.000 2.073 109 N HA 0.143 4.886 4.740 0.005 0.000 0.227 109 N C 0.026 175.603 175.510 0.111 0.000 1.367 109 N CA 0.464 53.569 53.050 0.092 0.000 0.775 109 N CB -0.610 37.932 38.487 0.092 0.000 1.234 109 N HN 0.173 nan 8.380 nan 0.000 0.512 110 A N 1.738 124.605 122.820 0.078 0.000 2.511 110 A HA 0.457 4.780 4.320 0.005 0.000 0.242 110 A C -2.344 175.360 177.584 0.199 0.000 1.069 110 A CA -0.521 51.636 52.037 0.199 0.000 0.763 110 A CB -0.303 18.758 19.000 0.101 0.000 1.001 110 A HN 0.137 nan 8.150 nan 0.000 0.498 111 P HA 0.201 nan 4.420 nan 0.000 0.269 111 P C -0.195 177.255 177.300 0.249 0.000 1.209 111 P CA 0.045 63.277 63.100 0.219 0.000 0.776 111 P CB 0.432 32.271 31.700 0.232 0.000 0.876 112 I N -0.595 120.006 120.570 0.052 0.000 2.532 112 I HA 0.848 5.021 4.170 0.005 0.000 0.292 112 I C 0.602 176.817 176.117 0.164 0.000 1.014 112 I CA -0.262 61.069 61.300 0.053 0.000 1.340 112 I CB 0.971 38.824 38.000 -0.245 0.000 1.422 112 I HN 0.552 nan 8.210 nan 0.000 0.528 113 G N 4.458 113.395 108.800 0.228 0.000 2.350 113 G HA2 0.153 4.116 3.960 0.005 0.000 0.276 113 G HA3 0.153 4.116 3.960 0.005 0.000 0.276 113 G C -1.877 173.131 174.900 0.179 0.000 1.313 113 G CA -1.014 44.174 45.100 0.146 0.000 0.903 113 G HN 0.741 nan 8.290 nan 0.000 0.490 114 L N 0.486 121.729 121.223 0.033 0.000 2.292 114 L HA 0.685 5.028 4.340 0.005 0.000 0.284 114 L C -0.849 175.940 176.870 -0.136 0.000 1.065 114 L CA -0.781 54.053 54.840 -0.010 0.000 0.806 114 L CB 0.727 42.750 42.059 -0.061 0.000 1.175 114 L HN 0.574 nan 8.230 nan 0.000 0.431 115 Y N 3.625 123.676 120.300 -0.415 0.000 2.468 115 Y HA 0.459 5.011 4.550 0.005 0.000 0.342 115 Y C -0.011 175.670 175.900 -0.366 0.000 1.021 115 Y CA -0.734 57.053 58.100 -0.522 0.000 1.079 115 Y CB 1.592 39.413 38.460 -1.066 0.000 1.226 115 Y HN 0.444 nan 8.280 nan 0.000 0.460 116 R N 3.252 123.733 120.500 -0.031 0.000 2.265 116 R HA 0.447 4.790 4.340 0.005 0.000 0.328 116 R C -1.734 174.553 176.300 -0.022 0.000 0.969 116 R CA -0.904 55.177 56.100 -0.033 0.000 0.832 116 R CB 0.594 30.918 30.300 0.040 0.000 1.139 116 R HN 0.685 nan 8.270 nan 0.000 0.457 117 L N 3.997 125.202 121.223 -0.029 0.000 2.261 117 L HA 0.322 4.665 4.340 0.005 0.000 0.289 117 L C -0.977 175.928 176.870 0.059 0.000 1.059 117 L CA 0.340 55.245 54.840 0.109 0.000 0.816 117 L CB 1.392 43.585 42.059 0.224 0.000 1.191 117 L HN 0.542 nan 8.230 nan 0.000 0.431 118 S N 5.519 121.271 115.700 0.087 0.000 2.608 118 S HA 0.653 5.126 4.470 0.005 0.000 0.291 118 S C -0.687 174.044 174.600 0.219 0.000 1.146 118 S CA -0.696 57.577 58.200 0.121 0.000 1.043 118 S CB 1.782 65.023 63.200 0.069 0.000 1.037 118 S HN 0.647 nan 8.310 nan 0.000 0.520 119 L N 1.991 123.380 121.223 0.277 0.000 2.381 119 L HA 0.462 4.805 4.340 0.005 0.000 0.274 119 L C -1.010 175.900 176.870 0.067 0.000 0.988 119 L CA -0.467 54.554 54.840 0.301 0.000 0.824 119 L CB 1.290 43.629 42.059 0.467 0.000 1.263 119 L HN 0.584 nan 8.230 nan 0.000 0.410 120 E N 4.878 125.044 120.200 -0.057 0.000 2.035 120 E HA 0.378 4.731 4.350 0.005 0.000 0.271 120 E C -0.615 175.893 176.600 -0.153 0.000 0.953 120 E CA -0.326 55.997 56.400 -0.129 0.000 0.777 120 E CB 1.844 31.470 29.700 -0.122 0.000 1.104 120 E HN 0.572 nan 8.360 nan 0.000 0.408 121 A N 2.268 124.978 122.820 -0.183 0.000 2.260 121 A HA 0.477 4.800 4.320 0.005 0.000 0.314 121 A C -0.036 177.472 177.584 -0.128 0.000 1.257 121 A CA -0.636 51.322 52.037 -0.131 0.000 0.871 121 A CB 0.685 19.618 19.000 -0.111 0.000 1.166 121 A HN 0.354 nan 8.150 nan 0.000 0.522 122 S N 1.852 117.494 115.700 -0.097 0.000 2.252 122 S HA 0.150 4.623 4.470 0.005 0.000 0.187 122 S C 0.632 175.156 174.600 -0.127 0.000 1.587 122 S CA -0.132 58.003 58.200 -0.108 0.000 1.215 122 S CB 0.803 63.954 63.200 -0.082 0.000 1.085 122 S HN 0.814 nan 8.310 nan 0.000 0.466 123 T N 1.902 116.362 114.554 -0.156 0.000 3.584 123 T HA 0.356 4.708 4.350 0.005 0.000 0.252 123 T C 1.238 175.759 174.700 -0.299 0.000 1.103 123 T CA 1.177 63.167 62.100 -0.182 0.000 0.977 123 T CB -0.711 68.065 68.868 -0.154 0.000 1.044 123 T HN 0.853 nan 8.240 nan 0.000 0.589 124 G N 0.545 109.146 108.800 -0.331 0.000 3.400 124 G HA2 -0.028 3.935 3.960 0.005 0.000 0.111 124 G HA3 -0.028 3.935 3.960 0.005 0.000 0.111 124 G C 0.288 174.991 174.900 -0.329 0.000 2.370 124 G CA 0.215 45.033 45.100 -0.471 0.000 1.153 124 G HN 0.539 nan 8.290 nan 0.000 0.329 125 Y N 0.118 120.399 120.300 -0.032 0.000 2.472 125 Y HA 0.444 4.998 4.550 0.005 0.000 0.283 125 Y C 2.130 178.011 175.900 -0.033 0.000 1.038 125 Y CA 0.623 58.705 58.100 -0.030 0.000 1.126 125 Y CB -0.126 38.319 38.460 -0.025 0.000 1.374 125 Y HN 0.367 nan 8.280 nan 0.000 0.576 126 Q N 2.148 121.910 119.800 -0.063 0.000 2.178 126 Q HA 0.551 4.894 4.340 0.005 0.000 0.197 126 Q C 1.482 177.433 176.000 -0.082 0.000 0.998 126 Q CA 0.515 56.315 55.803 -0.005 0.000 0.845 126 Q CB -0.756 27.992 28.738 0.016 0.000 0.943 126 Q HN 0.427 nan 8.270 nan 0.000 0.514 127 G N 0.467 109.193 108.800 -0.124 0.000 2.806 127 G HA2 -0.105 3.858 3.960 0.005 0.000 0.236 127 G HA3 -0.105 3.858 3.960 0.005 0.000 0.236 127 G C -0.405 174.410 174.900 -0.141 0.000 1.387 127 G CA -0.005 45.019 45.100 -0.127 0.000 0.884 127 G HN 0.975 nan 8.290 nan 0.000 0.560 128 S N -1.238 114.326 115.700 -0.228 0.000 2.547 128 S HA 0.783 5.256 4.470 0.005 0.000 0.281 128 S C -0.567 173.622 174.600 -0.686 0.000 1.118 128 S CA -0.113 57.856 58.200 -0.385 0.000 0.947 128 S CB 2.259 65.241 63.200 -0.364 0.000 1.053 128 S HN 1.362 nan 8.310 nan 0.000 0.482 129 S N 2.828 118.195 115.700 -0.555 0.000 2.498 129 S HA 0.848 5.321 4.470 0.005 0.000 0.317 129 S C -0.603 173.808 174.600 -0.314 0.000 1.090 129 S CA -0.813 57.114 58.200 -0.454 0.000 1.089 129 S CB -0.107 62.980 63.200 -0.189 0.000 0.997 129 S HN 0.761 nan 8.310 nan 0.000 0.470 130 F N -0.382 119.579 119.950 0.018 0.000 2.779 130 F HA 0.722 5.251 4.527 0.005 0.000 0.316 130 F C -0.348 175.458 175.800 0.011 0.000 1.164 130 F CA -1.873 56.134 58.000 0.013 0.000 0.924 130 F CB 0.682 39.690 39.000 0.013 0.000 1.348 130 F HN 0.364 nan 8.300 nan 0.000 0.467 131 V N 0.604 120.665 119.914 0.244 0.000 2.924 131 V HA 0.326 4.449 4.120 0.005 0.000 0.305 131 V C -0.159 175.917 176.094 -0.030 0.000 1.073 131 V CA -0.322 62.016 62.300 0.064 0.000 1.098 131 V CB 1.315 33.117 31.823 -0.036 0.000 1.000 131 V HN 0.954 nan 8.190 nan 0.000 0.484 132 L N 2.616 123.815 121.223 -0.040 0.000 2.609 132 L HA 0.687 5.030 4.340 0.005 0.000 0.230 132 L C 1.121 177.944 176.870 -0.079 0.000 1.064 132 L CA 0.775 55.579 54.840 -0.060 0.000 0.873 132 L CB 0.471 42.539 42.059 0.014 0.000 1.139 132 L HN 1.138 nan 8.230 nan 0.000 0.490 133 G N -1.445 107.272 108.800 -0.139 0.000 2.352 133 G HA2 0.162 4.125 3.960 0.005 0.000 0.283 133 G HA3 0.162 4.125 3.960 0.005 0.000 0.283 133 G C -1.730 172.977 174.900 -0.321 0.000 1.308 133 G CA -0.813 44.190 45.100 -0.162 0.000 0.892 133 G HN -0.042 nan 8.290 nan 0.000 0.504 134 H N -0.999 118.108 119.070 0.062 0.000 2.797 134 H HA 0.774 5.332 4.556 0.005 0.000 0.372 134 H C -0.925 174.461 175.328 0.097 0.000 1.168 134 H CA -0.067 55.986 56.048 0.009 0.000 1.163 134 H CB 2.168 31.913 29.762 -0.028 0.000 1.778 134 H HN 0.819 nan 8.280 nan 0.000 0.551 135 F N -0.654 119.409 119.950 0.188 0.000 2.654 135 F HA 0.586 5.116 4.527 0.005 0.000 0.308 135 F C -1.731 174.124 175.800 0.092 0.000 1.108 135 F CA -1.211 56.820 58.000 0.053 0.000 0.957 135 F CB 0.878 39.826 39.000 -0.088 0.000 1.309 135 F HN 0.265 nan 8.300 nan 0.000 0.446 136 I N 3.556 124.314 120.570 0.314 0.000 2.339 136 I HA 0.370 4.543 4.170 0.005 0.000 0.290 136 I C -1.169 175.110 176.117 0.271 0.000 0.994 136 I CA -0.907 60.542 61.300 0.248 0.000 1.191 136 I CB 1.693 39.772 38.000 0.130 0.000 1.343 136 I HN 0.543 nan 8.210 nan 0.000 0.458 137 L N 8.229 129.642 121.223 0.316 0.000 2.272 137 L HA 0.551 4.894 4.340 0.005 0.000 0.289 137 L C -0.660 176.264 176.870 0.089 0.000 1.032 137 L CA 0.032 54.974 54.840 0.171 0.000 0.810 137 L CB 0.872 43.036 42.059 0.176 0.000 1.205 137 L HN 0.441 nan 8.230 nan 0.000 0.422 138 L N 3.553 124.812 121.223 0.061 0.000 2.286 138 L HA 0.519 4.862 4.340 0.005 0.000 0.265 138 L C -0.573 176.340 176.870 0.070 0.000 1.012 138 L CA -0.939 53.939 54.840 0.064 0.000 0.818 138 L CB 1.159 43.318 42.059 0.167 0.000 1.337 138 L HN 0.293 nan 8.230 nan 0.000 0.438 139 F N 1.013 121.067 119.950 0.173 0.000 2.578 139 F HA 0.038 4.568 4.527 0.005 0.000 0.376 139 F C 0.837 176.758 175.800 0.202 0.000 1.085 139 F CA 0.290 58.388 58.000 0.163 0.000 1.260 139 F CB 0.022 39.107 39.000 0.142 0.000 1.095 139 F HN 0.363 nan 8.300 nan 0.000 0.573 140 N N 2.353 121.284 118.700 0.385 0.000 2.437 140 N HA 0.370 5.113 4.740 0.005 0.000 0.259 140 N C 0.146 175.858 175.510 0.337 0.000 0.983 140 N CA -0.084 53.196 53.050 0.384 0.000 0.937 140 N CB 1.609 40.268 38.487 0.287 0.000 1.122 140 N HN 0.676 nan 8.380 nan 0.000 0.499 141 A N 3.884 126.853 122.820 0.250 0.000 2.238 141 A HA 0.094 4.417 4.320 0.005 0.000 0.210 141 A C 1.149 178.636 177.584 -0.162 0.000 1.179 141 A CA -0.027 51.955 52.037 -0.091 0.000 0.827 141 A CB -0.209 18.517 19.000 -0.457 0.000 0.856 141 A HN 0.778 nan 8.150 nan 0.000 0.488 142 W N -1.744 119.611 121.300 0.091 0.000 3.211 142 W HA 0.191 4.855 4.660 0.006 0.000 0.292 142 W C 0.407 177.073 176.519 0.244 0.000 1.268 142 W CA -0.552 56.862 57.345 0.115 0.000 1.702 142 W CB -0.178 29.252 29.460 -0.051 0.000 1.092 142 W HN 0.259 nan 8.180 nan 0.000 0.643 143 C N 3.029 122.564 119.300 0.392 0.000 2.265 143 C HA 0.253 4.716 4.460 0.005 0.000 0.332 143 C C -0.753 174.194 174.990 -0.072 0.000 1.248 143 C CA -1.968 57.137 59.018 0.145 0.000 1.727 143 C CB 0.387 28.191 27.740 0.106 0.000 2.348 143 C HN -0.076 nan 8.230 nan 0.000 0.519 144 P HA -0.091 nan 4.420 nan 0.000 0.218 144 P C 1.178 178.229 177.300 -0.415 0.000 1.146 144 P CA 1.704 64.133 63.100 -1.117 0.000 0.813 144 P CB 0.149 31.338 31.700 -0.850 0.000 0.778 145 A N -1.478 121.221 122.820 -0.202 0.000 2.169 145 A HA -0.042 4.281 4.320 0.005 0.000 0.212 145 A C 1.261 178.837 177.584 -0.013 0.000 1.153 145 A CA 0.396 52.379 52.037 -0.090 0.000 0.756 145 A CB -0.772 18.186 19.000 -0.070 0.000 0.813 145 A HN 0.091 nan 8.150 nan 0.000 0.471 146 D N -0.582 119.839 120.400 0.036 0.000 2.339 146 D HA 0.431 5.073 4.640 0.005 0.000 0.245 146 D C 1.085 177.456 176.300 0.117 0.000 1.115 146 D CA 0.546 54.615 54.000 0.117 0.000 0.917 146 D CB 1.473 42.387 40.800 0.189 0.000 1.192 146 D HN 0.061 nan 8.370 nan 0.000 0.428 147 A N 2.161 125.048 122.820 0.113 0.000 2.235 147 A HA -0.004 4.319 4.320 0.005 0.000 0.208 147 A C 1.553 179.124 177.584 -0.023 0.000 1.172 147 A CA 0.927 52.986 52.037 0.036 0.000 0.786 147 A CB -0.275 18.742 19.000 0.029 0.000 0.804 147 A HN 0.448 nan 8.150 nan 0.000 0.479 148 V N -4.666 115.280 119.914 0.053 0.000 3.427 148 V HA 0.290 4.413 4.120 0.005 0.000 0.305 148 V C 0.546 176.747 176.094 0.179 0.000 1.412 148 V CA -0.831 61.489 62.300 0.035 0.000 1.086 148 V CB -1.619 30.198 31.823 -0.010 0.000 0.964 148 V HN 0.322 nan 8.190 nan 0.000 0.439 149 Y N 1.812 122.150 120.300 0.063 0.000 2.903 149 Y HA 0.341 4.894 4.550 0.005 0.000 0.338 149 Y C -0.164 175.831 175.900 0.159 0.000 1.265 149 Y CA 0.040 58.177 58.100 0.063 0.000 1.532 149 Y CB 0.282 38.770 38.460 0.047 0.000 1.293 149 Y HN 0.311 nan 8.280 nan 0.000 0.609 150 L N 6.383 127.091 121.223 -0.858 0.000 2.409 150 L HA 0.209 4.552 4.340 0.005 0.000 0.272 150 L C 0.303 176.460 176.870 -1.187 0.000 0.980 150 L CA -0.616 53.714 54.840 -0.849 0.000 0.826 150 L CB 2.037 43.657 42.059 -0.731 0.000 1.268 150 L HN 0.825 nan 8.230 nan 0.000 0.407 151 D N 0.211 120.131 120.400 -0.801 0.000 2.085 151 D HA -0.127 4.516 4.640 0.005 0.000 0.199 151 D C 0.996 177.117 176.300 -0.299 0.000 0.981 151 D CA 0.374 54.103 54.000 -0.452 0.000 0.834 151 D CB 0.053 40.753 40.800 -0.167 0.000 0.992 151 D HN 0.275 nan 8.370 nan 0.000 0.457 152 S N 0.072 115.601 115.700 -0.285 0.000 2.509 152 S HA 0.027 4.500 4.470 0.005 0.000 0.287 152 S C 1.005 175.469 174.600 -0.226 0.000 1.248 152 S CA -0.401 57.676 58.200 -0.205 0.000 1.089 152 S CB 0.681 63.770 63.200 -0.185 0.000 0.900 152 S HN 0.269 nan 8.310 nan 0.000 0.496 153 E N 4.635 124.755 120.200 -0.134 0.000 2.058 153 E HA -0.241 4.111 4.350 0.005 0.000 0.194 153 E C 1.733 178.271 176.600 -0.104 0.000 0.997 153 E CA 2.453 58.800 56.400 -0.087 0.000 0.801 153 E CB -0.254 29.459 29.700 0.022 0.000 0.746 153 E HN 0.932 nan 8.360 nan 0.000 0.450 154 E N 0.233 120.373 120.200 -0.100 0.000 2.153 154 E HA -0.215 4.137 4.350 0.005 0.000 0.194 154 E C 2.016 178.488 176.600 -0.212 0.000 0.988 154 E CA 1.296 57.625 56.400 -0.119 0.000 0.811 154 E CB -0.366 29.273 29.700 -0.102 0.000 0.746 154 E HN 0.414 nan 8.360 nan 0.000 0.466 155 E N 0.951 121.008 120.200 -0.239 0.000 2.106 155 E HA -0.116 4.237 4.350 0.005 0.000 0.192 155 E C 2.215 178.636 176.600 -0.298 0.000 0.984 155 E CA 0.658 56.879 56.400 -0.297 0.000 0.806 155 E CB -0.048 29.538 29.700 -0.189 0.000 0.750 155 E HN 0.267 nan 8.360 nan 0.000 0.458 156 R N 0.517 120.812 120.500 -0.342 0.000 2.096 156 R HA -0.161 4.182 4.340 0.005 0.000 0.235 156 R C 2.355 178.503 176.300 -0.254 0.000 1.127 156 R CA 1.188 57.007 56.100 -0.469 0.000 0.968 156 R CB -0.147 29.649 30.300 -0.840 0.000 0.861 156 R HN 0.049 nan 8.270 nan 0.000 0.440 157 Q N 0.766 120.485 119.800 -0.136 0.000 1.990 157 Q HA -0.203 4.140 4.340 0.005 0.000 0.200 157 Q C 1.923 177.857 176.000 -0.111 0.000 0.980 157 Q CA 1.812 57.604 55.803 -0.017 0.000 0.832 157 Q CB -0.116 28.620 28.738 -0.003 0.000 0.897 157 Q HN 0.109 nan 8.270 nan 0.000 0.427 158 E N -0.833 119.199 120.200 -0.281 0.000 2.038 158 E HA -0.201 4.152 4.350 0.005 0.000 0.195 158 E C 1.346 177.727 176.600 -0.365 0.000 1.000 158 E CA 1.669 57.818 56.400 -0.418 0.000 0.803 158 E CB -0.364 28.893 29.700 -0.738 0.000 0.750 158 E HN 0.513 nan 8.360 nan 0.000 0.448 159 Y N -1.163 119.080 120.300 -0.095 0.000 2.546 159 Y HA 0.167 4.720 4.550 0.005 0.000 0.287 159 Y C 1.743 177.587 175.900 -0.094 0.000 1.158 159 Y CA 0.230 58.277 58.100 -0.088 0.000 1.307 159 Y CB 0.372 38.819 38.460 -0.022 0.000 1.036 159 Y HN -0.031 nan 8.280 nan 0.000 0.532 160 V N -1.929 118.008 119.914 0.039 0.000 3.103 160 V HA 0.003 4.126 4.120 0.005 0.000 0.229 160 V C 1.661 177.846 176.094 0.151 0.000 1.304 160 V CA 0.374 62.730 62.300 0.093 0.000 1.298 160 V CB 0.077 31.960 31.823 0.101 0.000 1.093 160 V HN 0.118 nan 8.190 nan 0.000 0.489 161 L N -0.083 121.262 121.223 0.204 0.000 2.307 161 L HA 0.116 4.459 4.340 0.005 0.000 0.211 161 L C 0.971 177.876 176.870 0.059 0.000 1.099 161 L CA 0.635 55.648 54.840 0.288 0.000 0.816 161 L CB -0.331 41.971 42.059 0.405 0.000 0.952 161 L HN 0.258 nan 8.230 nan 0.000 0.455 162 T N 1.092 115.640 114.554 -0.010 0.000 2.867 162 T HA -0.027 4.326 4.350 0.005 0.000 0.297 162 T C 1.049 175.720 174.700 -0.048 0.000 0.989 162 T CA 0.283 62.362 62.100 -0.034 0.000 1.159 162 T CB 0.982 69.807 68.868 -0.071 0.000 0.928 162 T HN 0.273 nan 8.240 nan 0.000 0.538 163 Q N 1.247 121.045 119.800 -0.003 0.000 2.391 163 Q HA 0.061 4.404 4.340 0.005 0.000 0.211 163 Q C 0.552 176.654 176.000 0.170 0.000 0.908 163 Q CA 0.360 56.186 55.803 0.038 0.000 0.920 163 Q CB 0.422 29.155 28.738 -0.009 0.000 1.056 163 Q HN 0.606 nan 8.270 nan 0.000 0.523 164 Q N -0.124 119.733 119.800 0.096 0.000 2.241 164 Q HA 0.702 5.045 4.340 0.005 0.000 0.262 164 Q C 0.075 176.077 176.000 0.005 0.000 1.014 164 Q CA -0.377 55.425 55.803 -0.002 0.000 0.885 164 Q CB 1.903 30.592 28.738 -0.082 0.000 1.311 164 Q HN 0.150 nan 8.270 nan 0.000 0.461 165 G N -0.423 108.261 108.800 -0.193 0.000 2.428 165 G HA2 0.577 4.540 3.960 0.005 0.000 0.304 165 G HA3 0.577 4.540 3.960 0.005 0.000 0.304 165 G C -1.805 172.889 174.900 -0.343 0.000 1.303 165 G CA -0.792 44.180 45.100 -0.213 0.000 0.825 165 G HN 0.332 nan 8.290 nan 0.000 0.484 166 F N -0.371 119.513 119.950 -0.110 0.000 2.546 166 F HA 0.724 5.254 4.527 0.005 0.000 0.320 166 F C 0.101 175.696 175.800 -0.341 0.000 1.076 166 F CA -0.996 56.799 58.000 -0.342 0.000 0.928 166 F CB 2.651 41.340 39.000 -0.518 0.000 1.189 166 F HN 0.077 nan 8.300 nan 0.000 0.465 167 I N 2.508 122.910 120.570 -0.281 0.000 2.447 167 I HA 0.237 4.410 4.170 0.005 0.000 0.287 167 I C -1.321 174.442 176.117 -0.589 0.000 1.023 167 I CA -0.802 60.308 61.300 -0.316 0.000 1.083 167 I CB 1.777 39.630 38.000 -0.245 0.000 1.245 167 I HN 0.457 nan 8.210 nan 0.000 0.434 168 Y N 5.788 125.921 120.300 -0.279 0.000 2.365 168 Y HA 0.331 4.884 4.550 0.005 0.000 0.340 168 Y C 0.658 176.181 175.900 -0.628 0.000 1.016 168 Y CA -0.054 57.837 58.100 -0.347 0.000 1.196 168 Y CB 0.742 39.087 38.460 -0.192 0.000 1.167 168 Y HN 0.539 nan 8.280 nan 0.000 0.509 169 Q N 1.267 120.691 119.800 -0.626 0.000 3.375 169 Q HA 0.700 5.043 4.340 0.005 0.000 0.295 169 Q C 0.612 176.257 176.000 -0.592 0.000 0.996 169 Q CA -0.598 54.543 55.803 -1.103 0.000 0.801 169 Q CB 1.446 29.626 28.738 -0.930 0.000 2.066 169 Q HN 0.791 nan 8.270 nan 0.000 0.424 170 G N 1.135 109.655 108.800 -0.466 0.000 2.514 170 G HA2 -0.269 3.694 3.960 0.005 0.000 0.265 170 G HA3 -0.269 3.694 3.960 0.005 0.000 0.265 170 G C -0.245 174.745 174.900 0.149 0.000 1.150 170 G CA 0.094 44.998 45.100 -0.327 0.000 0.959 170 G HN 0.644 nan 8.290 nan 0.000 0.556 171 S N -1.136 114.642 115.700 0.130 0.000 2.667 171 S HA 0.759 5.231 4.470 0.005 0.000 0.292 171 S C 1.253 175.783 174.600 -0.118 0.000 1.126 171 S CA 0.701 59.031 58.200 0.216 0.000 0.881 171 S CB 1.440 64.772 63.200 0.220 0.000 1.132 171 S HN 2.119 nan 8.310 nan 0.000 0.492 172 A N 2.209 124.946 122.820 -0.138 0.000 1.969 172 A HA 0.056 4.378 4.320 0.005 0.000 0.218 172 A C 1.748 179.183 177.584 -0.248 0.000 1.169 172 A CA 1.063 52.824 52.037 -0.460 0.000 0.635 172 A CB -0.378 18.535 19.000 -0.146 0.000 0.810 172 A HN 0.692 nan 8.150 nan 0.000 0.445 173 K N -2.117 118.249 120.400 -0.058 0.000 2.432 173 K HA 0.115 4.438 4.320 0.005 0.000 0.196 173 K C -0.567 176.092 176.600 0.098 0.000 1.038 173 K CA 0.433 56.727 56.287 0.013 0.000 0.986 173 K CB -0.085 32.452 32.500 0.062 0.000 0.782 173 K HN 0.465 nan 8.250 nan 0.000 0.485 174 F N 1.046 120.915 119.950 -0.135 0.000 2.946 174 F HA 0.314 4.844 4.527 0.005 0.000 0.375 174 F C -0.557 175.117 175.800 -0.210 0.000 1.320 174 F CA -0.872 57.054 58.000 -0.123 0.000 1.181 174 F CB 0.345 39.328 39.000 -0.029 0.000 2.051 174 F HN -0.243 nan 8.300 nan 0.000 0.622 175 I N 3.814 124.149 120.570 -0.391 0.000 2.752 175 I HA 0.079 4.252 4.170 0.005 0.000 0.287 175 I C 0.268 176.125 176.117 -0.433 0.000 1.188 175 I CA 0.288 61.356 61.300 -0.386 0.000 1.427 175 I CB 0.468 38.251 38.000 -0.361 0.000 1.365 175 I HN 0.261 nan 8.210 nan 0.000 0.585 176 K N 5.608 125.787 120.400 -0.367 0.000 2.397 176 K HA 0.278 4.601 4.320 0.005 0.000 0.253 176 K C -1.072 175.290 176.600 -0.398 0.000 0.932 176 K CA -0.695 55.334 56.287 -0.430 0.000 0.795 176 K CB 1.768 33.895 32.500 -0.621 0.000 1.159 176 K HN 0.661 nan 8.250 nan 0.000 0.424 177 N N 4.103 122.524 118.700 -0.466 0.000 2.501 177 N HA 0.167 4.910 4.740 0.005 0.000 0.245 177 N C -0.567 174.555 175.510 -0.647 0.000 0.974 177 N CA -0.486 52.087 53.050 -0.795 0.000 0.941 177 N CB 0.643 38.492 38.487 -1.063 0.000 1.122 177 N HN 0.239 nan 8.380 nan 0.000 0.507 178 I N 3.753 124.015 120.570 -0.513 0.000 2.371 178 I HA 0.280 4.453 4.170 0.005 0.000 0.290 178 I C -1.838 174.211 176.117 -0.114 0.000 1.028 178 I CA -2.361 58.783 61.300 -0.261 0.000 1.345 178 I CB 1.139 39.007 38.000 -0.221 0.000 1.407 178 I HN 0.416 nan 8.210 nan 0.000 0.501 179 P HA 0.039 nan 4.420 nan 0.000 0.275 179 P C -1.100 176.228 177.300 0.047 0.000 1.227 179 P CA -0.386 62.740 63.100 0.042 0.000 0.781 179 P CB 0.925 32.631 31.700 0.010 0.000 0.906 180 W N 3.655 124.785 121.300 -0.284 0.000 3.129 180 W HA 0.240 4.903 4.660 0.005 0.000 0.333 180 W C -1.441 174.751 176.519 -0.545 0.000 1.141 180 W CA -0.562 56.529 57.345 -0.423 0.000 1.224 180 W CB 2.121 31.210 29.460 -0.618 0.000 1.393 180 W HN 0.278 nan 8.180 nan 0.000 0.499 181 N N 3.720 122.029 118.700 -0.652 0.000 2.500 181 N HA 0.210 4.953 4.740 0.005 0.000 0.236 181 N C 0.300 175.695 175.510 -0.191 0.000 1.022 181 N CA -0.130 52.708 53.050 -0.353 0.000 0.935 181 N CB 0.125 38.437 38.487 -0.293 0.000 1.147 181 N HN 0.175 nan 8.380 nan 0.000 0.512 182 F N 1.943 122.003 119.950 0.183 0.000 2.325 182 F HA 0.209 4.739 4.527 0.005 0.000 0.299 182 F C 2.162 177.982 175.800 0.033 0.000 1.090 182 F CA 0.680 58.791 58.000 0.186 0.000 1.392 182 F CB -0.608 38.437 39.000 0.074 0.000 1.053 182 F HN 0.637 nan 8.300 nan 0.000 0.521 183 G N 1.449 110.324 108.800 0.125 0.000 2.473 183 G HA2 -0.381 3.582 3.960 0.005 0.000 0.307 183 G HA3 -0.381 3.582 3.960 0.005 0.000 0.307 183 G C 1.380 176.287 174.900 0.012 0.000 0.937 183 G CA 0.821 45.939 45.100 0.030 0.000 0.947 183 G HN 0.516 nan 8.290 nan 0.000 0.513 184 Q N -1.038 118.719 119.800 -0.071 0.000 2.443 184 Q HA -0.100 4.243 4.340 0.005 0.000 0.213 184 Q C 1.247 177.302 176.000 0.091 0.000 0.982 184 Q CA 1.333 57.088 55.803 -0.080 0.000 0.894 184 Q CB -0.303 28.299 28.738 -0.226 0.000 0.947 184 Q HN 0.593 nan 8.270 nan 0.000 0.480 185 F N 0.812 120.799 119.950 0.061 0.000 2.654 185 F HA 0.413 4.943 4.527 0.005 0.000 0.303 185 F C 0.412 176.221 175.800 0.014 0.000 1.099 185 F CA -1.540 56.484 58.000 0.039 0.000 1.270 185 F CB -0.028 38.987 39.000 0.025 0.000 1.024 185 F HN 0.034 nan 8.300 nan 0.000 0.548 186 E N 1.298 121.598 120.200 0.166 0.000 2.338 186 E HA -0.013 4.340 4.350 0.005 0.000 0.272 186 E C 0.053 176.716 176.600 0.105 0.000 1.029 186 E CA -0.340 56.117 56.400 0.096 0.000 0.872 186 E CB 0.505 30.237 29.700 0.054 0.000 1.015 186 E HN -0.031 nan 8.360 nan 0.000 0.417 187 D N 2.882 123.337 120.400 0.091 0.000 2.730 187 D HA -0.128 4.515 4.640 0.005 0.000 0.225 187 D C 0.977 177.320 176.300 0.072 0.000 1.107 187 D CA 1.839 55.888 54.000 0.081 0.000 0.837 187 D CB 0.462 41.303 40.800 0.069 0.000 1.171 187 D HN 0.722 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 -0.331 3.632 3.960 0.005 0.000 0.242 188 G HA3 -0.331 3.632 3.960 0.005 0.000 0.242 188 G C 1.468 176.415 174.900 0.079 0.000 1.069 188 G CA 0.284 45.423 45.100 0.065 0.000 0.633 188 G HN 0.549 nan 8.290 nan 0.000 0.517 189 I N 1.130 121.754 120.570 0.090 0.000 2.236 189 I HA -0.154 4.019 4.170 0.005 0.000 0.249 189 I C 2.749 178.930 176.117 0.107 0.000 1.102 189 I CA 1.986 63.345 61.300 0.098 0.000 1.365 189 I CB -1.046 37.016 38.000 0.103 0.000 1.051 189 I HN 0.482 nan 8.210 nan 0.000 0.420 190 L N 0.500 121.794 121.223 0.118 0.000 1.976 190 L HA -0.251 4.092 4.340 0.005 0.000 0.209 190 L C 2.265 179.190 176.870 0.091 0.000 1.071 190 L CA 1.815 56.726 54.840 0.118 0.000 0.746 190 L CB -0.489 41.640 42.059 0.118 0.000 0.890 190 L HN 0.285 nan 8.230 nan 0.000 0.432 191 D N 0.086 120.532 120.400 0.076 0.000 2.158 191 D HA -0.249 4.393 4.640 0.005 0.000 0.197 191 D C 2.154 178.499 176.300 0.076 0.000 0.995 191 D CA 1.755 55.790 54.000 0.059 0.000 0.846 191 D CB -0.105 40.721 40.800 0.042 0.000 0.941 191 D HN 0.478 nan 8.370 nan 0.000 0.456 192 I N 0.725 121.356 120.570 0.102 0.000 2.493 192 I HA -0.225 3.948 4.170 0.005 0.000 0.254 192 I C 2.570 178.778 176.117 0.151 0.000 1.160 192 I CA 0.395 61.793 61.300 0.164 0.000 1.445 192 I CB -0.136 37.974 38.000 0.182 0.000 1.086 192 I HN 0.082 nan 8.210 nan 0.000 0.433 193 C N 0.623 119.977 119.300 0.089 0.000 2.453 193 C HA -0.097 4.366 4.460 0.005 0.000 0.277 193 C C 2.721 177.740 174.990 0.049 0.000 1.262 193 C CA 0.536 59.585 59.018 0.052 0.000 1.718 193 C CB -0.835 26.945 27.740 0.067 0.000 2.031 193 C HN 0.433 nan 8.230 nan 0.000 0.480 194 L N 0.498 121.753 121.223 0.055 0.000 2.017 194 L HA -0.170 4.173 4.340 0.005 0.000 0.208 194 L C 2.411 179.280 176.870 -0.002 0.000 1.073 194 L CA 1.573 56.429 54.840 0.028 0.000 0.745 194 L CB -0.650 41.424 42.059 0.025 0.000 0.894 194 L HN 0.347 nan 8.230 nan 0.000 0.432 195 I N -0.256 120.336 120.570 0.036 0.000 2.118 195 I HA -0.368 3.805 4.170 0.005 0.000 0.241 195 I C 2.585 178.760 176.117 0.097 0.000 1.070 195 I CA 1.480 62.807 61.300 0.045 0.000 1.327 195 I CB -0.353 37.719 38.000 0.120 0.000 1.034 195 I HN 0.273 nan 8.210 nan 0.000 0.405 196 L N 0.434 121.756 121.223 0.165 0.000 2.189 196 L HA -0.261 4.082 4.340 0.005 0.000 0.214 196 L C 2.399 179.270 176.870 0.001 0.000 1.097 196 L CA 1.565 56.454 54.840 0.082 0.000 0.764 196 L CB -0.088 41.890 42.059 -0.136 0.000 0.900 196 L HN 0.329 nan 8.230 nan 0.000 0.436 197 L N -1.285 119.919 121.223 -0.032 0.000 2.202 197 L HA -0.100 4.243 4.340 0.005 0.000 0.205 197 L C 1.525 178.280 176.870 -0.191 0.000 1.083 197 L CA 0.506 55.312 54.840 -0.057 0.000 0.790 197 L CB -0.337 41.715 42.059 -0.012 0.000 0.942 197 L HN 0.137 nan 8.230 nan 0.000 0.452 198 D N -0.528 119.654 120.400 -0.364 0.000 2.358 198 D HA -0.048 4.595 4.640 0.005 0.000 0.241 198 D C 1.047 176.938 176.300 -0.681 0.000 1.094 198 D CA 0.640 54.062 54.000 -0.963 0.000 0.907 198 D CB 0.733 41.095 40.800 -0.730 0.000 0.893 198 D HN 0.076 nan 8.370 nan 0.000 0.528 199 V N 0.848 120.627 119.914 -0.226 0.000 3.111 199 V HA 0.088 4.211 4.120 0.005 0.000 0.343 199 V C -0.454 175.683 176.094 0.071 0.000 1.417 199 V CA -0.428 61.856 62.300 -0.027 0.000 1.142 199 V CB -0.065 31.794 31.823 0.061 0.000 1.114 199 V HN 0.105 nan 8.190 nan 0.000 0.520 200 N N -0.709 118.036 118.700 0.075 0.000 2.472 200 N HA 0.549 5.292 4.740 0.005 0.000 0.289 200 N C -1.917 173.688 175.510 0.159 0.000 1.156 200 N CA -1.451 51.662 53.050 0.105 0.000 0.940 200 N CB 1.563 40.090 38.487 0.066 0.000 1.200 200 N HN -0.161 nan 8.380 nan 0.000 0.511 201 P HA -0.247 nan 4.420 nan 0.000 0.209 201 P C 0.888 178.275 177.300 0.147 0.000 1.167 201 P CA 1.747 64.916 63.100 0.115 0.000 0.941 201 P CB 0.041 31.783 31.700 0.071 0.000 0.787 202 K N -1.726 118.763 120.400 0.148 0.000 2.227 202 K HA -0.220 4.103 4.320 0.005 0.000 0.208 202 K C 1.896 178.621 176.600 0.208 0.000 1.045 202 K CA 1.712 58.112 56.287 0.188 0.000 0.931 202 K CB -1.174 31.485 32.500 0.266 0.000 0.721 202 K HN 0.176 nan 8.250 nan 0.000 0.469 203 F N -0.440 119.565 119.950 0.093 0.000 2.262 203 F HA 0.082 4.612 4.527 0.005 0.000 0.292 203 F C 1.482 177.316 175.800 0.056 0.000 1.081 203 F CA 0.680 58.728 58.000 0.080 0.000 1.355 203 F CB 0.143 39.189 39.000 0.076 0.000 1.069 203 F HN -0.111 nan 8.300 nan 0.000 0.506 204 L N 0.208 121.621 121.223 0.316 0.000 2.156 204 L HA -0.137 4.206 4.340 0.005 0.000 0.208 204 L C 2.183 179.080 176.870 0.045 0.000 1.095 204 L CA 1.169 56.123 54.840 0.191 0.000 0.770 204 L CB -0.623 41.550 42.059 0.189 0.000 0.914 204 L HN 0.045 nan 8.230 nan 0.000 0.439 205 K N 0.777 121.204 120.400 0.045 0.000 2.365 205 K HA -0.069 4.254 4.320 0.005 0.000 0.199 205 K C 0.280 176.861 176.600 -0.031 0.000 1.045 205 K CA 0.823 57.119 56.287 0.014 0.000 0.962 205 K CB 0.090 32.610 32.500 0.033 0.000 0.759 205 K HN 0.315 nan 8.250 nan 0.000 0.469 206 N N -1.523 117.126 118.700 -0.085 0.000 3.560 206 N HA 0.080 4.823 4.740 0.005 0.000 0.183 206 N C -0.041 175.310 175.510 -0.264 0.000 1.495 206 N CA 0.348 53.317 53.050 -0.134 0.000 0.793 206 N CB 0.017 38.464 38.487 -0.066 0.000 1.681 206 N HN 0.051 nan 8.380 nan 0.000 0.667 207 A N 1.409 123.931 122.820 -0.496 0.000 1.915 207 A HA -0.180 4.143 4.320 0.005 0.000 0.220 207 A C 2.012 179.351 177.584 -0.409 0.000 1.198 207 A CA 2.519 54.030 52.037 -0.877 0.000 0.647 207 A CB -1.066 17.432 19.000 -0.836 0.000 0.825 207 A HN 0.699 nan 8.150 nan 0.000 0.456 208 G N -0.892 107.772 108.800 -0.228 0.000 2.433 208 G HA2 -0.248 3.715 3.960 0.005 0.000 0.216 208 G HA3 -0.248 3.715 3.960 0.005 0.000 0.216 208 G C 1.661 176.515 174.900 -0.077 0.000 1.186 208 G CA 1.352 46.381 45.100 -0.119 0.000 0.779 208 G HN 0.554 nan 8.290 nan 0.000 0.543 209 R N 0.873 121.327 120.500 -0.076 0.000 2.097 209 R HA -0.131 4.212 4.340 0.005 0.000 0.236 209 R C 2.257 178.532 176.300 -0.041 0.000 1.135 209 R CA 2.224 58.290 56.100 -0.057 0.000 0.934 209 R CB -0.974 29.299 30.300 -0.045 0.000 0.846 209 R HN 0.437 nan 8.270 nan 0.000 0.431 210 D N -0.670 119.744 120.400 0.023 0.000 2.092 210 D HA -0.179 4.463 4.640 0.005 0.000 0.193 210 D C 1.657 178.094 176.300 0.228 0.000 0.994 210 D CA 1.787 55.907 54.000 0.199 0.000 0.828 210 D CB -0.247 40.728 40.800 0.292 0.000 0.963 210 D HN 0.358 nan 8.370 nan 0.000 0.450 211 C N 0.445 119.846 119.300 0.168 0.000 2.410 211 C HA -0.090 4.373 4.460 0.005 0.000 0.281 211 C C 3.130 178.185 174.990 0.108 0.000 1.318 211 C CA 1.337 60.458 59.018 0.173 0.000 1.776 211 C CB -1.159 26.651 27.740 0.116 0.000 1.942 211 C HN 0.470 nan 8.230 nan 0.000 0.508 212 S N 0.344 116.074 115.700 0.050 0.000 2.348 212 S HA -0.065 4.408 4.470 0.005 0.000 0.219 212 S C 1.965 176.580 174.600 0.024 0.000 1.033 212 S CA 0.838 59.058 58.200 0.032 0.000 0.974 212 S CB -0.331 62.865 63.200 -0.006 0.000 0.868 212 S HN 0.618 nan 8.310 nan 0.000 0.459 213 R N 0.760 121.206 120.500 -0.091 0.000 2.377 213 R HA 0.106 4.449 4.340 0.005 0.000 0.207 213 R C 1.532 177.877 176.300 0.074 0.000 1.075 213 R CA 0.471 56.428 56.100 -0.237 0.000 1.035 213 R CB -0.256 29.468 30.300 -0.961 0.000 0.857 213 R HN 0.438 nan 8.270 nan 0.000 0.475 214 R N 0.647 121.292 120.500 0.241 0.000 2.386 214 R HA -0.016 4.326 4.340 0.005 0.000 0.216 214 R C 1.237 177.681 176.300 0.240 0.000 1.119 214 R CA 0.674 56.981 56.100 0.344 0.000 1.158 214 R CB 0.075 30.533 30.300 0.263 0.000 1.057 214 R HN 0.188 nan 8.270 nan 0.000 0.489 215 S N -1.858 113.979 115.700 0.228 0.000 2.523 215 S HA 0.050 4.523 4.470 0.005 0.000 0.217 215 S C 0.700 175.516 174.600 0.360 0.000 0.996 215 S CA -0.557 57.763 58.200 0.200 0.000 0.921 215 S CB 0.752 64.051 63.200 0.165 0.000 0.829 215 S HN 0.057 nan 8.310 nan 0.000 0.495 216 S N 3.301 119.236 115.700 0.392 0.000 2.429 216 S HA 0.441 4.914 4.470 0.005 0.000 0.302 216 S C -1.548 173.268 174.600 0.361 0.000 1.115 216 S CA -1.781 56.626 58.200 0.345 0.000 1.095 216 S CB 1.472 64.814 63.200 0.236 0.000 0.987 216 S HN 0.110 nan 8.310 nan 0.000 0.474 217 P HA -0.096 nan 4.420 nan 0.000 0.218 217 P C 1.587 178.814 177.300 -0.123 0.000 1.149 217 P CA 0.773 63.675 63.100 -0.331 0.000 0.817 217 P CB 0.002 31.377 31.700 -0.542 0.000 0.785 218 V N -1.251 118.639 119.914 -0.040 0.000 2.515 218 V HA -0.228 3.895 4.120 0.005 0.000 0.250 218 V C 2.447 178.532 176.094 -0.014 0.000 1.058 218 V CA 1.539 63.805 62.300 -0.056 0.000 1.064 218 V CB -1.339 30.462 31.823 -0.037 0.000 0.675 218 V HN -0.061 nan 8.190 nan 0.000 0.461 219 Y N 0.757 121.043 120.300 -0.024 0.000 2.114 219 Y HA -0.105 4.448 4.550 0.005 0.000 0.284 219 Y C 2.389 178.306 175.900 0.028 0.000 1.119 219 Y CA 2.449 60.552 58.100 0.005 0.000 1.108 219 Y CB -0.723 37.778 38.460 0.069 0.000 0.995 219 Y HN 0.098 nan 8.280 nan 0.000 0.491 220 V N 0.716 120.665 119.914 0.059 0.000 2.370 220 V HA -0.355 3.768 4.120 0.005 0.000 0.252 220 V C 2.604 178.648 176.094 -0.084 0.000 1.068 220 V CA 2.014 64.316 62.300 0.004 0.000 1.061 220 V CB -1.796 30.201 31.823 0.290 0.000 0.656 220 V HN 0.667 nan 8.190 nan 0.000 0.455 221 G N -0.464 108.282 108.800 -0.090 0.000 2.421 221 G HA2 -0.235 3.727 3.960 0.005 0.000 0.216 221 G HA3 -0.235 3.727 3.960 0.005 0.000 0.216 221 G C 1.741 176.559 174.900 -0.136 0.000 1.171 221 G CA 0.561 45.595 45.100 -0.111 0.000 0.775 221 G HN 0.342 nan 8.290 nan 0.000 0.543 222 R N 0.006 120.398 120.500 -0.179 0.000 2.081 222 R HA -0.035 4.308 4.340 0.005 0.000 0.235 222 R C 2.747 178.958 176.300 -0.148 0.000 1.131 222 R CA 1.136 57.133 56.100 -0.171 0.000 0.960 222 R CB -0.908 29.274 30.300 -0.197 0.000 0.856 222 R HN 0.367 nan 8.270 nan 0.000 0.436 223 V N 0.067 119.840 119.914 -0.235 0.000 2.237 223 V HA -0.183 3.940 4.120 0.005 0.000 0.245 223 V C 2.513 178.532 176.094 -0.125 0.000 1.046 223 V CA 2.139 64.320 62.300 -0.198 0.000 1.007 223 V CB -1.264 30.376 31.823 -0.304 0.000 0.638 223 V HN 0.458 nan 8.190 nan 0.000 0.445 224 G N -0.719 108.010 108.800 -0.118 0.000 2.514 224 G HA2 -0.377 3.586 3.960 0.005 0.000 0.217 224 G HA3 -0.377 3.586 3.960 0.005 0.000 0.217 224 G C 1.921 176.749 174.900 -0.120 0.000 1.198 224 G CA 1.590 46.627 45.100 -0.104 0.000 0.780 224 G HN 0.497 nan 8.290 nan 0.000 0.565 225 S N 0.633 116.265 115.700 -0.114 0.000 2.378 225 S HA -0.125 4.348 4.470 0.005 0.000 0.229 225 S C 2.478 176.977 174.600 -0.168 0.000 1.052 225 S CA 2.349 60.474 58.200 -0.125 0.000 1.084 225 S CB -0.955 62.174 63.200 -0.118 0.000 0.950 225 S HN 0.588 nan 8.310 nan 0.000 0.440 226 G N 0.358 109.064 108.800 -0.157 0.000 2.484 226 G HA2 -0.049 3.914 3.960 0.005 0.000 0.218 226 G HA3 -0.049 3.914 3.960 0.005 0.000 0.218 226 G C 1.285 176.113 174.900 -0.119 0.000 1.130 226 G CA 0.573 45.573 45.100 -0.167 0.000 0.784 226 G HN 0.459 nan 8.290 nan 0.000 0.543 227 M N 0.852 120.380 119.600 -0.121 0.000 2.659 227 M HA 0.129 4.611 4.480 0.005 0.000 0.243 227 M C 2.228 178.393 176.300 -0.225 0.000 1.111 227 M CA 0.240 55.458 55.300 -0.136 0.000 1.070 227 M CB 0.073 32.589 32.600 -0.141 0.000 1.525 227 M HN 0.115 nan 8.290 nan 0.000 0.517 228 V N -0.018 119.748 119.914 -0.247 0.000 2.331 228 V HA -0.120 4.003 4.120 0.005 0.000 0.242 228 V C 1.789 177.666 176.094 -0.362 0.000 1.034 228 V CA 1.705 63.829 62.300 -0.295 0.000 1.027 228 V CB -0.463 31.217 31.823 -0.237 0.000 0.667 228 V HN 0.449 nan 8.190 nan 0.000 0.457 229 N N -1.219 117.221 118.700 -0.434 0.000 3.411 229 N HA 0.021 4.764 4.740 0.005 0.000 0.236 229 N C 0.399 175.758 175.510 -0.253 0.000 1.053 229 N CA 0.534 53.297 53.050 -0.479 0.000 1.133 229 N CB 0.213 38.076 38.487 -1.039 0.000 1.460 229 N HN 0.411 nan 8.380 nan 0.000 0.724 230 c N 2.872 121.309 118.600 -0.272 0.000 1.537 230 c HA 0.106 4.679 4.570 0.005 0.000 0.459 230 c C 0.352 174.464 174.090 0.036 0.000 1.461 230 c CA -0.374 55.862 56.329 -0.154 0.000 1.623 230 c CB -2.577 39.649 42.510 -0.474 0.000 3.004 230 c HN 0.807 nan 8.230 nan 0.000 0.599 231 N N 1.067 119.816 118.700 0.081 0.000 2.556 231 N HA -0.159 4.584 4.740 0.005 0.000 0.276 231 N C -0.202 175.346 175.510 0.063 0.000 1.259 231 N CA 0.898 54.008 53.050 0.099 0.000 0.654 231 N CB -0.786 37.785 38.487 0.140 0.000 0.889 231 N HN 0.852 nan 8.380 nan 0.000 0.547 232 D N 1.122 121.556 120.400 0.056 0.000 2.332 232 D HA 0.051 4.694 4.640 0.005 0.000 0.244 232 D C 1.053 177.402 176.300 0.083 0.000 1.136 232 D CA 0.312 54.350 54.000 0.063 0.000 0.884 232 D CB -0.083 40.760 40.800 0.071 0.000 0.906 232 D HN 0.637 nan 8.370 nan 0.000 0.520 233 D N -0.334 120.113 120.400 0.078 0.000 2.311 233 D HA -0.166 4.477 4.640 0.005 0.000 0.212 233 D C 0.709 177.063 176.300 0.090 0.000 0.972 233 D CA 0.957 55.002 54.000 0.076 0.000 0.887 233 D CB 0.292 41.133 40.800 0.068 0.000 0.915 233 D HN 0.030 nan 8.370 nan 0.000 0.497 234 Q N -0.880 118.986 119.800 0.111 0.000 2.392 234 Q HA 0.260 4.603 4.340 0.005 0.000 0.246 234 Q C -0.291 175.829 176.000 0.200 0.000 0.705 234 Q CA 0.044 55.943 55.803 0.160 0.000 1.040 234 Q CB 0.200 29.024 28.738 0.142 0.000 1.404 234 Q HN 0.110 nan 8.270 nan 0.000 0.359 235 G N -0.984 107.908 108.800 0.154 0.000 2.525 235 G HA2 0.464 4.427 3.960 0.005 0.000 0.287 235 G HA3 0.464 4.427 3.960 0.005 0.000 0.287 235 G C 0.292 175.235 174.900 0.073 0.000 1.350 235 G CA 0.058 45.190 45.100 0.053 0.000 1.039 235 G HN 0.147 nan 8.290 nan 0.000 0.513 236 V N -0.839 118.931 119.914 -0.239 0.000 2.922 236 V HA 0.319 4.442 4.120 0.005 0.000 0.242 236 V C 0.680 176.699 176.094 -0.124 0.000 1.094 236 V CA 0.629 62.631 62.300 -0.497 0.000 1.106 236 V CB -0.336 31.011 31.823 -0.794 0.000 0.799 236 V HN 0.270 nan 8.190 nan 0.000 0.474 237 L N 0.738 121.910 121.223 -0.085 0.000 2.381 237 L HA 0.578 4.920 4.340 0.005 0.000 0.268 237 L C -1.211 175.710 176.870 0.084 0.000 0.997 237 L CA -0.746 54.114 54.840 0.032 0.000 0.818 237 L CB 2.504 44.640 42.059 0.128 0.000 1.310 237 L HN 0.106 nan 8.230 nan 0.000 0.416 238 L N 2.066 123.363 121.223 0.123 0.000 2.272 238 L HA 0.680 5.023 4.340 0.005 0.000 0.289 238 L C 0.411 177.431 176.870 0.249 0.000 1.032 238 L CA 0.137 55.072 54.840 0.159 0.000 0.810 238 L CB 1.306 43.425 42.059 0.099 0.000 1.205 238 L HN 0.568 nan 8.230 nan 0.000 0.422 239 G N 3.478 112.478 108.800 0.333 0.000 2.636 239 G HA2 0.473 4.436 3.960 0.005 0.000 0.246 239 G HA3 0.473 4.436 3.960 0.005 0.000 0.246 239 G C -0.903 174.021 174.900 0.041 0.000 1.216 239 G CA -0.357 44.831 45.100 0.146 0.000 0.854 239 G HN 0.821 nan 8.290 nan 0.000 0.572 240 R N -0.461 119.676 120.500 -0.605 0.000 2.808 240 R HA 0.193 4.536 4.340 0.005 0.000 0.254 240 R C -0.784 175.325 176.300 -0.318 0.000 1.145 240 R CA -0.728 55.320 56.100 -0.086 0.000 1.066 240 R CB 0.093 30.396 30.300 0.005 0.000 1.268 240 R HN 0.671 nan 8.270 nan 0.000 0.447 241 W N 2.250 123.667 121.300 0.195 0.000 2.773 241 W HA 0.020 4.683 4.660 0.005 0.000 0.297 241 W C 0.819 177.388 176.519 0.084 0.000 1.050 241 W CA 0.520 57.956 57.345 0.152 0.000 1.467 241 W CB 0.662 30.149 29.460 0.045 0.000 0.977 241 W HN 0.720 nan 8.180 nan 0.000 0.573 242 D N 0.279 120.802 120.400 0.204 0.000 2.221 242 D HA -0.253 4.390 4.640 0.005 0.000 0.204 242 D C 0.904 177.140 176.300 -0.108 0.000 0.982 242 D CA 1.334 55.357 54.000 0.037 0.000 0.857 242 D CB -0.730 40.068 40.800 -0.003 0.000 0.934 242 D HN 0.156 nan 8.370 nan 0.000 0.475 243 N N -0.463 118.052 118.700 -0.308 0.000 2.989 243 N HA -0.171 4.572 4.740 0.005 0.000 0.247 243 N C -1.277 173.672 175.510 -0.936 0.000 1.119 243 N CA 0.283 52.930 53.050 -0.672 0.000 0.755 243 N CB -1.732 36.636 38.487 -0.198 0.000 1.100 243 N HN 0.312 nan 8.380 nan 0.000 0.550 244 N N 0.888 118.948 118.700 -1.067 0.000 2.716 244 N HA 0.187 4.930 4.740 0.005 0.000 0.253 244 N C -0.603 174.505 175.510 -0.670 0.000 1.170 244 N CA -0.159 52.500 53.050 -0.653 0.000 0.807 244 N CB 0.186 38.480 38.487 -0.323 0.000 1.183 244 N HN 0.171 nan 8.380 nan 0.000 0.524 245 Y N -0.338 119.827 120.300 -0.224 0.000 2.507 245 Y HA 0.303 4.855 4.550 0.005 0.000 0.254 245 Y C 2.127 178.014 175.900 -0.022 0.000 1.171 245 Y CA -0.545 57.389 58.100 -0.277 0.000 1.238 245 Y CB 0.027 38.367 38.460 -0.199 0.000 1.148 245 Y HN 0.416 nan 8.280 nan 0.000 0.525 246 G N 1.203 110.033 108.800 0.050 0.000 2.596 246 G HA2 -0.331 3.632 3.960 0.005 0.000 0.223 246 G HA3 -0.331 3.632 3.960 0.005 0.000 0.223 246 G C 1.043 176.015 174.900 0.120 0.000 1.120 246 G CA 1.648 46.788 45.100 0.066 0.000 0.752 246 G HN 0.522 nan 8.290 nan 0.000 0.596 247 D N 0.044 120.564 120.400 0.201 0.000 2.561 247 D HA 0.407 5.050 4.640 0.005 0.000 0.232 247 D C 0.864 177.323 176.300 0.265 0.000 1.198 247 D CA 0.444 54.566 54.000 0.204 0.000 0.826 247 D CB 0.155 41.069 40.800 0.189 0.000 0.992 247 D HN 0.390 nan 8.370 nan 0.000 0.490 248 G N -0.918 108.062 108.800 0.299 0.000 2.510 248 G HA2 0.367 4.329 3.960 0.005 0.000 0.277 248 G HA3 0.367 4.329 3.960 0.005 0.000 0.277 248 G C -1.795 173.204 174.900 0.165 0.000 1.223 248 G CA -0.504 44.738 45.100 0.236 0.000 0.887 248 G HN 0.061 nan 8.290 nan 0.000 0.485 249 V N 1.324 121.300 119.914 0.105 0.000 2.409 249 V HA 0.572 4.695 4.120 0.005 0.000 0.291 249 V C 0.763 176.725 176.094 -0.219 0.000 1.020 249 V CA -0.466 61.697 62.300 -0.228 0.000 0.848 249 V CB 1.179 32.497 31.823 -0.843 0.000 0.990 249 V HN 0.981 nan 8.190 nan 0.000 0.430 250 S N 6.707 122.280 115.700 -0.212 0.000 2.626 250 S HA 0.061 4.534 4.470 0.005 0.000 0.303 250 S C -1.172 173.222 174.600 -0.343 0.000 1.256 250 S CA -0.367 57.646 58.200 -0.310 0.000 1.069 250 S CB 0.771 63.932 63.200 -0.065 0.000 0.807 250 S HN 0.607 nan 8.310 nan 0.000 0.500 251 P HA -0.144 nan 4.420 nan 0.000 0.217 251 P C 1.511 179.023 177.300 0.355 0.000 1.151 251 P CA 1.255 64.331 63.100 -0.040 0.000 0.849 251 P CB 0.081 31.532 31.700 -0.414 0.000 0.787 252 M N -1.604 118.182 119.600 0.310 0.000 2.557 252 M HA -0.004 4.479 4.480 0.005 0.000 0.259 252 M C 1.662 178.067 176.300 0.175 0.000 1.086 252 M CA 1.315 56.838 55.300 0.372 0.000 1.096 252 M CB -1.128 31.604 32.600 0.220 0.000 1.424 252 M HN -0.100 nan 8.290 nan 0.000 0.488 253 S N -0.993 114.700 115.700 -0.012 0.000 2.436 253 S HA -0.040 4.432 4.470 0.005 0.000 0.228 253 S C 0.094 174.613 174.600 -0.136 0.000 1.014 253 S CA 0.002 58.115 58.200 -0.146 0.000 0.950 253 S CB -0.096 62.914 63.200 -0.317 0.000 0.784 253 S HN 0.458 nan 8.310 nan 0.000 0.504 254 W N 1.968 123.287 121.300 0.033 0.000 2.193 254 W HA 0.236 4.899 4.660 0.005 0.000 0.338 254 W C 1.069 177.393 176.519 -0.324 0.000 1.310 254 W CA -0.451 56.835 57.345 -0.097 0.000 1.243 254 W CB 0.147 29.629 29.460 0.037 0.000 1.165 254 W HN 0.162 nan 8.180 nan 0.000 0.566 255 I N 1.080 121.462 120.570 -0.312 0.000 3.813 255 I HA 0.679 4.852 4.170 0.005 0.000 0.323 255 I C 0.386 175.822 176.117 -1.135 0.000 1.536 255 I CA -0.423 60.508 61.300 -0.614 0.000 1.083 255 I CB 0.150 37.999 38.000 -0.253 0.000 1.265 255 I HN 0.454 nan 8.210 nan 0.000 0.507 256 G N 0.346 108.217 108.800 -1.548 0.000 2.318 256 G HA2 0.142 4.105 3.960 0.005 0.000 0.306 256 G HA3 0.142 4.105 3.960 0.005 0.000 0.306 256 G C -0.002 174.653 174.900 -0.409 0.000 1.696 256 G CA -0.091 44.248 45.100 -1.269 0.000 0.905 256 G HN -0.030 nan 8.290 nan 0.000 0.700 257 S N 0.551 116.345 115.700 0.156 0.000 2.400 257 S HA -0.167 4.306 4.470 0.005 0.000 0.232 257 S C 2.661 177.273 174.600 0.020 0.000 1.025 257 S CA 1.441 59.764 58.200 0.204 0.000 0.993 257 S CB -0.138 63.259 63.200 0.328 0.000 0.808 257 S HN 0.747 nan 8.310 nan 0.000 0.478 258 V N 2.311 122.231 119.914 0.011 0.000 2.317 258 V HA -0.274 3.849 4.120 0.005 0.000 0.251 258 V C 2.392 178.486 176.094 0.001 0.000 1.065 258 V CA 2.296 64.601 62.300 0.009 0.000 1.049 258 V CB -0.721 31.101 31.823 -0.002 0.000 0.651 258 V HN 0.418 nan 8.190 nan 0.000 0.450 259 D N -0.446 119.953 120.400 -0.003 0.000 2.162 259 D HA -0.047 4.596 4.640 0.005 0.000 0.203 259 D C 1.996 178.292 176.300 -0.007 0.000 0.967 259 D CA 0.948 54.978 54.000 0.050 0.000 0.840 259 D CB -0.115 40.790 40.800 0.175 0.000 0.972 259 D HN 0.442 nan 8.370 nan 0.000 0.482 260 I N 0.215 120.661 120.570 -0.206 0.000 2.179 260 I HA -0.236 3.937 4.170 0.005 0.000 0.242 260 I C 2.154 178.203 176.117 -0.113 0.000 1.088 260 I CA 0.442 61.516 61.300 -0.376 0.000 1.357 260 I CB -0.197 37.390 38.000 -0.689 0.000 1.051 260 I HN 0.114 nan 8.210 nan 0.000 0.409 261 L N 0.783 121.969 121.223 -0.061 0.000 2.042 261 L HA -0.189 4.154 4.340 0.005 0.000 0.210 261 L C 2.711 179.665 176.870 0.140 0.000 1.076 261 L CA 1.914 56.778 54.840 0.040 0.000 0.749 261 L CB -1.282 40.793 42.059 0.027 0.000 0.893 261 L HN 0.275 nan 8.230 nan 0.000 0.432 262 R N -0.691 119.847 120.500 0.064 0.000 2.075 262 R HA -0.121 4.222 4.340 0.005 0.000 0.232 262 R C 2.293 178.576 176.300 -0.029 0.000 1.126 262 R CA 0.962 57.084 56.100 0.038 0.000 0.963 262 R CB -0.208 30.104 30.300 0.019 0.000 0.858 262 R HN 0.261 nan 8.270 nan 0.000 0.435 263 R N -0.706 119.764 120.500 -0.051 0.000 2.193 263 R HA -0.177 4.166 4.340 0.005 0.000 0.229 263 R C 1.656 177.850 176.300 -0.177 0.000 1.110 263 R CA 1.354 57.325 56.100 -0.216 0.000 0.988 263 R CB -0.172 30.103 30.300 -0.040 0.000 0.871 263 R HN 0.339 nan 8.270 nan 0.000 0.458 264 W N 1.577 122.781 121.300 -0.161 0.000 2.452 264 W HA -0.108 4.555 4.660 0.005 0.000 0.313 264 W C 2.127 178.610 176.519 -0.060 0.000 1.176 264 W CA 1.224 58.516 57.345 -0.087 0.000 1.350 264 W CB -0.263 29.155 29.460 -0.070 0.000 1.148 264 W HN -0.164 nan 8.180 nan 0.000 0.498 265 K N 0.271 120.632 120.400 -0.065 0.000 2.026 265 K HA -0.234 4.089 4.320 0.005 0.000 0.208 265 K C 1.687 178.167 176.600 -0.200 0.000 1.048 265 K CA 1.999 58.124 56.287 -0.269 0.000 0.929 265 K CB -0.721 31.760 32.500 -0.032 0.000 0.713 265 K HN 0.062 nan 8.250 nan 0.000 0.439 266 N N 0.512 119.135 118.700 -0.128 0.000 2.334 266 N HA -0.142 4.601 4.740 0.005 0.000 0.187 266 N C 0.246 175.791 175.510 0.059 0.000 1.016 266 N CA 1.020 54.022 53.050 -0.080 0.000 0.879 266 N CB -0.149 38.263 38.487 -0.125 0.000 0.965 266 N HN 0.304 nan 8.380 nan 0.000 0.438 267 H N -0.874 118.138 119.070 -0.097 0.000 2.539 267 H HA 0.383 4.942 4.556 0.005 0.000 0.293 267 H C 0.777 176.001 175.328 -0.174 0.000 1.156 267 H CA -0.589 55.401 56.048 -0.097 0.000 1.012 267 H CB -0.347 29.383 29.762 -0.054 0.000 1.600 267 H HN 0.094 nan 8.280 nan 0.000 0.538 268 G N 0.719 109.459 108.800 -0.101 0.000 2.393 268 G HA2 -0.342 3.621 3.960 0.005 0.000 0.299 268 G HA3 -0.342 3.621 3.960 0.005 0.000 0.299 268 G C 0.758 175.441 174.900 -0.362 0.000 0.990 268 G CA 0.171 45.152 45.100 -0.199 0.000 1.118 268 G HN 0.687 nan 8.290 nan 0.000 0.513 269 C N -1.350 117.525 119.300 -0.708 0.000 4.235 269 C HA -0.156 4.307 4.460 0.005 0.000 0.301 269 C C 0.974 175.576 174.990 -0.647 0.000 1.409 269 C CA 1.331 59.551 59.018 -1.329 0.000 2.024 269 C CB -2.238 24.844 27.740 -1.097 0.000 1.286 269 C HN 0.841 nan 8.230 nan 0.000 0.746 270 Q N -0.282 119.326 119.800 -0.321 0.000 2.278 270 Q HA 0.488 4.831 4.340 0.005 0.000 0.257 270 Q C 0.269 176.384 176.000 0.191 0.000 0.928 270 Q CA -0.663 55.136 55.803 -0.006 0.000 0.932 270 Q CB 0.916 29.671 28.738 0.028 0.000 1.221 270 Q HN 0.450 nan 8.270 nan 0.000 0.434 271 R N 0.422 121.070 120.500 0.248 0.000 2.474 271 R HA -0.027 4.316 4.340 0.005 0.000 0.290 271 R C -0.491 175.923 176.300 0.190 0.000 0.918 271 R CA 0.080 56.331 56.100 0.253 0.000 1.130 271 R CB -0.603 29.785 30.300 0.147 0.000 0.881 271 R HN 0.267 nan 8.270 nan 0.000 0.416 272 V N 3.777 123.804 119.914 0.189 0.000 2.686 272 V HA 0.040 4.163 4.120 0.005 0.000 0.295 272 V C 0.867 176.999 176.094 0.063 0.000 1.055 272 V CA -0.537 61.848 62.300 0.141 0.000 1.050 272 V CB 0.967 32.852 31.823 0.104 0.000 0.984 272 V HN 0.536 nan 8.190 nan 0.000 0.482 273 K N 4.744 125.159 120.400 0.026 0.000 2.163 273 K HA 0.118 4.441 4.320 0.005 0.000 0.267 273 K C -1.042 175.450 176.600 -0.179 0.000 1.098 273 K CA 0.474 56.588 56.287 -0.288 0.000 1.062 273 K CB -1.067 31.276 32.500 -0.262 0.000 1.033 273 K HN 0.583 nan 8.250 nan 0.000 0.396 274 Y N -1.526 118.875 120.300 0.168 0.000 2.594 274 Y HA -0.143 4.410 4.550 0.005 0.000 0.026 274 Y C 0.712 176.652 175.900 0.067 0.000 1.795 274 Y CA 0.771 58.902 58.100 0.051 0.000 1.356 274 Y CB -1.502 36.930 38.460 -0.046 0.000 2.007 274 Y HN 0.684 nan 8.280 nan 0.000 0.267 275 G N 1.794 110.592 108.800 -0.002 0.000 2.649 275 G HA2 0.754 4.717 3.960 0.005 0.000 0.290 275 G HA3 0.754 4.717 3.960 0.005 0.000 0.290 275 G C -1.481 172.919 174.900 -0.834 0.000 1.426 275 G CA -1.054 43.864 45.100 -0.303 0.000 0.794 275 G HN 0.508 nan 8.290 nan 0.000 0.483 276 Q N -1.305 117.661 119.800 -1.390 0.000 2.615 276 Q HA 0.297 4.640 4.340 0.005 0.000 0.298 276 Q C 1.577 176.633 176.000 -1.573 0.000 1.023 276 Q CA -0.456 54.519 55.803 -1.381 0.000 0.768 276 Q CB 2.083 30.236 28.738 -0.975 0.000 1.500 276 Q HN 1.029 nan 8.270 nan 0.000 0.441 277 C N -0.355 118.690 119.300 -0.425 0.000 2.369 277 C HA -0.197 4.265 4.460 0.005 0.000 0.273 277 C C 2.069 176.964 174.990 -0.159 0.000 1.172 277 C CA 1.808 60.834 59.018 0.015 0.000 1.791 277 C CB -1.527 26.627 27.740 0.690 0.000 2.086 277 C HN 1.010 nan 8.230 nan 0.000 0.459 278 W N 1.766 122.957 121.300 -0.181 0.000 2.436 278 W HA 0.220 4.883 4.660 0.005 0.000 0.284 278 W C 1.841 178.127 176.519 -0.388 0.000 1.225 278 W CA 1.127 58.319 57.345 -0.255 0.000 1.271 278 W CB -1.125 28.192 29.460 -0.239 0.000 1.114 278 W HN 0.189 nan 8.180 nan 0.000 0.559 279 V N 1.414 120.579 119.914 -1.249 0.000 2.515 279 V HA -0.270 3.853 4.120 0.005 0.000 0.250 279 V C 2.215 178.053 176.094 -0.426 0.000 1.058 279 V CA 1.592 63.382 62.300 -0.850 0.000 1.064 279 V CB -1.103 30.215 31.823 -0.842 0.000 0.675 279 V HN 0.062 nan 8.190 nan 0.000 0.461 280 F N 1.324 121.085 119.950 -0.314 0.000 2.084 280 F HA -0.019 4.511 4.527 0.005 0.000 0.296 280 F C 2.572 178.268 175.800 -0.174 0.000 1.111 280 F CA 0.877 58.761 58.000 -0.194 0.000 1.224 280 F CB -1.721 37.225 39.000 -0.090 0.000 0.991 280 F HN 0.109 nan 8.300 nan 0.000 0.471 281 A N 0.251 123.096 122.820 0.043 0.000 1.948 281 A HA -0.118 4.205 4.320 0.005 0.000 0.220 281 A C 2.461 179.986 177.584 -0.097 0.000 1.177 281 A CA 2.210 54.234 52.037 -0.021 0.000 0.636 281 A CB -1.337 17.640 19.000 -0.039 0.000 0.815 281 A HN 0.330 nan 8.150 nan 0.000 0.449 282 A N -0.193 122.485 122.820 -0.236 0.000 1.877 282 A HA -0.005 4.318 4.320 0.005 0.000 0.216 282 A C 2.354 179.901 177.584 -0.062 0.000 1.186 282 A CA 2.242 54.082 52.037 -0.328 0.000 0.620 282 A CB -1.225 17.017 19.000 -1.264 0.000 0.822 282 A HN 1.233 nan 8.150 nan 0.000 0.443 283 V N -2.629 117.248 119.914 -0.062 0.000 2.667 283 V HA 0.077 4.200 4.120 0.005 0.000 0.252 283 V C 2.405 178.487 176.094 -0.020 0.000 1.065 283 V CA 1.653 63.961 62.300 0.015 0.000 1.083 283 V CB -1.170 30.621 31.823 -0.053 0.000 0.692 283 V HN 0.505 nan 8.190 nan 0.000 0.468 284 A N -0.309 122.484 122.820 -0.045 0.000 1.902 284 A HA -0.236 4.087 4.320 0.005 0.000 0.217 284 A C 2.455 180.003 177.584 -0.061 0.000 1.181 284 A CA 1.996 53.998 52.037 -0.057 0.000 0.623 284 A CB -1.378 17.594 19.000 -0.046 0.000 0.818 284 A HN 0.719 nan 8.150 nan 0.000 0.443 285 C N -1.047 118.205 119.300 -0.080 0.000 2.440 285 C HA -0.059 4.404 4.460 0.005 0.000 0.278 285 C C 2.941 177.831 174.990 -0.167 0.000 1.295 285 C CA 1.885 60.794 59.018 -0.181 0.000 1.738 285 C CB -1.507 26.023 27.740 -0.349 0.000 1.987 285 C HN 0.604 nan 8.230 nan 0.000 0.492 286 T N 0.176 114.722 114.554 -0.014 0.000 2.746 286 T HA -0.122 4.231 4.350 0.005 0.000 0.267 286 T C 1.792 176.499 174.700 0.012 0.000 1.039 286 T CA 1.804 63.939 62.100 0.058 0.000 1.142 286 T CB -0.246 68.734 68.868 0.187 0.000 0.866 286 T HN 0.425 nan 8.240 nan 0.000 0.444 287 V N 1.659 121.572 119.914 -0.003 0.000 2.223 287 V HA -0.122 4.001 4.120 0.005 0.000 0.244 287 V C 2.522 178.633 176.094 0.029 0.000 1.045 287 V CA 1.593 63.895 62.300 0.003 0.000 1.000 287 V CB -0.715 31.085 31.823 -0.038 0.000 0.635 287 V HN 0.434 nan 8.190 nan 0.000 0.445 288 L N -0.574 120.651 121.223 0.004 0.000 2.013 288 L HA -0.245 4.098 4.340 0.005 0.000 0.212 288 L C 2.775 179.678 176.870 0.055 0.000 1.073 288 L CA 1.856 56.711 54.840 0.024 0.000 0.753 288 L CB -0.807 41.240 42.059 -0.019 0.000 0.890 288 L HN 0.262 nan 8.230 nan 0.000 0.432 289 R N -0.732 119.770 120.500 0.004 0.000 2.091 289 R HA -0.208 4.135 4.340 0.005 0.000 0.238 289 R C 2.499 178.876 176.300 0.128 0.000 1.136 289 R CA 1.769 57.878 56.100 0.016 0.000 0.959 289 R CB -0.901 29.325 30.300 -0.124 0.000 0.856 289 R HN 0.483 nan 8.270 nan 0.000 0.437 290 C N 0.875 120.251 119.300 0.127 0.000 2.413 290 C HA -0.110 4.353 4.460 0.005 0.000 0.278 290 C C 2.370 177.543 174.990 0.304 0.000 1.224 290 C CA 0.697 59.872 59.018 0.261 0.000 1.732 290 C CB -0.917 26.934 27.740 0.186 0.000 2.050 290 C HN 0.361 nan 8.230 nan 0.000 0.463 291 L N 0.986 122.358 121.223 0.248 0.000 2.450 291 L HA 0.149 4.492 4.340 0.005 0.000 0.224 291 L C 2.232 179.353 176.870 0.419 0.000 1.149 291 L CA 2.092 57.117 54.840 0.309 0.000 0.816 291 L CB -1.480 40.774 42.059 0.324 0.000 0.932 291 L HN 0.741 nan 8.230 nan 0.000 0.449 292 G N -1.392 107.623 108.800 0.358 0.000 2.201 292 G HA2 -0.226 3.737 3.960 0.005 0.000 0.212 292 G HA3 -0.226 3.737 3.960 0.005 0.000 0.212 292 G C 0.421 175.466 174.900 0.241 0.000 0.994 292 G CA -0.109 45.215 45.100 0.374 0.000 0.644 292 G HN 0.264 nan 8.290 nan 0.000 0.508 293 I N 2.735 123.373 120.570 0.113 0.000 2.322 293 I HA 0.264 4.436 4.170 0.005 0.000 0.292 293 I C -2.017 174.103 176.117 0.005 0.000 1.060 293 I CA -2.035 59.224 61.300 -0.068 0.000 1.309 293 I CB 1.117 38.983 38.000 -0.224 0.000 1.415 293 I HN -0.158 nan 8.210 nan 0.000 0.492 294 P HA -0.026 nan 4.420 nan 0.000 0.256 294 P C -0.824 176.552 177.300 0.127 0.000 1.173 294 P CA 0.692 63.834 63.100 0.069 0.000 0.768 294 P CB 0.325 32.027 31.700 0.003 0.000 0.758 295 T N 4.201 118.816 114.554 0.102 0.000 2.909 295 T HA 0.648 5.001 4.350 0.005 0.000 0.299 295 T C -0.514 174.164 174.700 -0.036 0.000 1.073 295 T CA -0.962 61.170 62.100 0.053 0.000 0.999 295 T CB 1.692 70.541 68.868 -0.031 0.000 1.098 295 T HN 0.370 nan 8.240 nan 0.000 0.477 296 R N 0.216 120.633 120.500 -0.138 0.000 2.564 296 R HA 0.737 5.079 4.340 0.005 0.000 0.284 296 R C -1.121 175.061 176.300 -0.197 0.000 1.031 296 R CA -0.916 55.078 56.100 -0.177 0.000 0.904 296 R CB 1.360 31.503 30.300 -0.263 0.000 1.199 296 R HN 0.480 nan 8.270 nan 0.000 0.443 297 V N 3.791 123.616 119.914 -0.149 0.000 2.555 297 V HA 0.392 4.515 4.120 0.005 0.000 0.286 297 V C -0.482 175.500 176.094 -0.186 0.000 1.044 297 V CA -0.012 62.205 62.300 -0.139 0.000 1.026 297 V CB 1.248 33.029 31.823 -0.071 0.000 0.981 297 V HN 0.623 nan 8.190 nan 0.000 0.480 298 V N 5.325 125.038 119.914 -0.334 0.000 2.769 298 V HA 0.597 4.720 4.120 0.005 0.000 0.312 298 V C 0.284 175.998 176.094 -0.633 0.000 1.058 298 V CA -0.443 61.568 62.300 -0.481 0.000 0.952 298 V CB 2.321 33.762 31.823 -0.638 0.000 1.019 298 V HN 1.013 nan 8.190 nan 0.000 0.445 299 T N 2.950 117.177 114.554 -0.545 0.000 2.841 299 T HA 0.454 4.806 4.350 0.005 0.000 0.283 299 T C -0.693 173.627 174.700 -0.633 0.000 1.000 299 T CA -0.513 61.247 62.100 -0.567 0.000 0.977 299 T CB 1.281 69.905 68.868 -0.407 0.000 0.979 299 T HN 0.716 nan 8.240 nan 0.000 0.446 300 N N 1.503 119.821 118.700 -0.637 0.000 2.399 300 N HA 0.402 5.145 4.740 0.005 0.000 0.284 300 N C -1.746 173.628 175.510 -0.227 0.000 1.025 300 N CA -0.550 52.264 53.050 -0.393 0.000 0.885 300 N CB 0.691 38.965 38.487 -0.355 0.000 1.339 300 N HN 0.458 nan 8.380 nan 0.000 0.487 301 Y N 2.124 122.459 120.300 0.058 0.000 2.310 301 Y HA 0.321 4.873 4.550 0.005 0.000 0.326 301 Y C 0.604 176.605 175.900 0.168 0.000 1.151 301 Y CA -0.444 57.753 58.100 0.162 0.000 1.195 301 Y CB 0.920 39.436 38.460 0.093 0.000 1.210 301 Y HN 0.562 nan 8.280 nan 0.000 0.483 302 N N 0.748 119.650 118.700 0.336 0.000 2.708 302 N HA -0.218 4.525 4.740 0.005 0.000 0.255 302 N C -0.715 174.939 175.510 0.240 0.000 1.046 302 N CA 0.646 53.855 53.050 0.265 0.000 0.715 302 N CB -1.023 37.593 38.487 0.215 0.000 0.895 302 N HN 0.453 nan 8.380 nan 0.000 0.545 303 S N -0.345 115.520 115.700 0.276 0.000 2.489 303 S HA 0.569 5.042 4.470 0.005 0.000 0.277 303 S C 0.754 175.470 174.600 0.193 0.000 1.230 303 S CA -0.099 58.248 58.200 0.245 0.000 1.053 303 S CB 0.705 64.087 63.200 0.304 0.000 0.955 303 S HN 0.402 nan 8.310 nan 0.000 0.488 304 A N 4.614 127.516 122.820 0.137 0.000 3.118 304 A HA 0.259 4.582 4.320 0.005 0.000 0.256 304 A C 0.125 177.711 177.584 0.003 0.000 1.667 304 A CA -0.202 51.895 52.037 0.100 0.000 1.338 304 A CB -0.816 18.233 19.000 0.082 0.000 1.127 304 A HN 0.948 nan 8.150 nan 0.000 0.634 305 H N -0.304 118.576 119.070 -0.317 0.000 2.546 305 H HA 0.327 4.886 4.556 0.005 0.000 0.365 305 H C 0.881 175.933 175.328 -0.460 0.000 1.220 305 H CA 1.112 56.763 56.048 -0.663 0.000 1.386 305 H CB 0.726 29.515 29.762 -1.622 0.000 1.510 305 H HN 0.621 nan 8.280 nan 0.000 0.591 306 D N -0.577 119.106 120.400 -1.195 0.000 2.758 306 D HA -0.224 4.419 4.640 0.005 0.000 0.191 306 D C -0.288 175.845 176.300 -0.278 0.000 1.036 306 D CA 1.292 54.867 54.000 -0.709 0.000 1.030 306 D CB -0.464 40.119 40.800 -0.361 0.000 1.109 306 D HN 0.519 nan 8.370 nan 0.000 0.430 307 Q N 0.045 119.749 119.800 -0.159 0.000 2.479 307 Q HA 0.046 4.389 4.340 0.005 0.000 0.267 307 Q C 1.199 177.215 176.000 0.027 0.000 1.071 307 Q CA 0.175 55.958 55.803 -0.032 0.000 0.935 307 Q CB 0.160 28.898 28.738 0.000 0.000 1.295 307 Q HN 0.344 nan 8.270 nan 0.000 0.476 308 N N 0.128 118.864 118.700 0.060 0.000 2.609 308 N HA -0.132 4.610 4.740 0.005 0.000 0.190 308 N C 0.185 175.816 175.510 0.202 0.000 1.157 308 N CA 0.953 54.095 53.050 0.153 0.000 0.918 308 N CB 0.290 38.823 38.487 0.077 0.000 0.978 308 N HN 0.585 nan 8.380 nan 0.000 0.448 309 S N -0.860 114.904 115.700 0.106 0.000 2.042 309 S HA -0.145 4.328 4.470 0.005 0.000 0.252 309 S C -0.803 173.762 174.600 -0.059 0.000 1.373 309 S CA -0.210 57.968 58.200 -0.038 0.000 1.133 309 S CB -2.029 60.866 63.200 -0.509 0.000 1.435 309 S HN 0.518 nan 8.310 nan 0.000 0.649 310 N N 3.381 122.066 118.700 -0.025 0.000 2.386 310 N HA 0.117 4.860 4.740 0.005 0.000 0.273 310 N C 0.917 176.423 175.510 -0.007 0.000 1.331 310 N CA 0.126 53.164 53.050 -0.019 0.000 0.891 310 N CB 0.339 38.821 38.487 -0.009 0.000 1.139 310 N HN 0.289 nan 8.380 nan 0.000 0.487 311 L N 1.862 123.085 121.223 0.000 0.000 2.700 311 L HA 0.077 4.420 4.340 0.005 0.000 0.240 311 L C 0.283 177.215 176.870 0.103 0.000 1.162 311 L CA 0.908 55.750 54.840 0.003 0.000 0.874 311 L CB -1.338 40.724 42.059 0.005 0.000 1.001 311 L HN 0.579 nan 8.230 nan 0.000 0.447 312 L N -0.020 121.237 121.223 0.056 0.000 2.470 312 L HA 0.529 4.872 4.340 0.005 0.000 0.268 312 L C -1.125 175.740 176.870 -0.008 0.000 0.964 312 L CA -0.323 54.543 54.840 0.043 0.000 0.839 312 L CB 2.361 44.450 42.059 0.048 0.000 1.276 312 L HN -0.166 nan 8.230 nan 0.000 0.403 313 I N 3.773 124.312 120.570 -0.053 0.000 2.545 313 I HA 0.454 4.627 4.170 0.005 0.000 0.292 313 I C -0.773 175.187 176.117 -0.263 0.000 1.040 313 I CA -0.499 60.697 61.300 -0.175 0.000 1.068 313 I CB 2.222 40.093 38.000 -0.214 0.000 1.251 313 I HN 0.581 nan 8.210 nan 0.000 0.424 314 E N 4.934 124.943 120.200 -0.317 0.000 2.222 314 E HA 0.543 4.896 4.350 0.005 0.000 0.267 314 E C -1.776 174.512 176.600 -0.519 0.000 0.884 314 E CA -0.719 55.511 56.400 -0.283 0.000 0.764 314 E CB 2.544 32.268 29.700 0.041 0.000 1.169 314 E HN 0.381 nan 8.360 nan 0.000 0.413 315 Y N 1.151 121.270 120.300 -0.302 0.000 2.462 315 Y HA 0.476 5.028 4.550 0.005 0.000 0.346 315 Y C -0.768 174.818 175.900 -0.524 0.000 0.976 315 Y CA -1.051 56.908 58.100 -0.235 0.000 1.044 315 Y CB 1.418 39.827 38.460 -0.084 0.000 1.230 315 Y HN 0.409 nan 8.280 nan 0.000 0.455 316 F N 2.355 122.494 119.950 0.315 0.000 2.477 316 F HA 0.627 5.157 4.527 0.005 0.000 0.335 316 F C -0.194 175.706 175.800 0.166 0.000 1.130 316 F CA -1.019 57.120 58.000 0.233 0.000 0.948 316 F CB 1.396 40.482 39.000 0.142 0.000 1.154 316 F HN 0.247 nan 8.300 nan 0.000 0.439 317 R N 2.220 122.858 120.500 0.231 0.000 2.664 317 R HA 0.425 4.768 4.340 0.005 0.000 0.286 317 R C -0.071 176.314 176.300 0.142 0.000 0.967 317 R CA -1.202 54.992 56.100 0.157 0.000 0.933 317 R CB 1.426 31.785 30.300 0.098 0.000 1.146 317 R HN 0.659 nan 8.270 nan 0.000 0.468 318 N N 1.659 120.445 118.700 0.143 0.000 2.290 318 N HA -0.113 4.630 4.740 0.005 0.000 0.269 318 N C 0.305 175.910 175.510 0.158 0.000 1.295 318 N CA -0.213 52.929 53.050 0.154 0.000 0.932 318 N CB 0.320 38.910 38.487 0.172 0.000 1.128 318 N HN 0.654 nan 8.380 nan 0.000 0.532 319 E N -0.678 119.636 120.200 0.191 0.000 2.322 319 E HA -0.031 4.322 4.350 0.005 0.000 0.195 319 E C -0.493 175.982 176.600 -0.208 0.000 1.198 319 E CA 0.185 56.611 56.400 0.045 0.000 1.132 319 E CB -0.893 28.813 29.700 0.010 0.000 1.213 319 E HN 0.560 nan 8.360 nan 0.000 0.450 320 F N -0.857 119.077 119.950 -0.027 0.000 2.915 320 F HA 0.334 4.864 4.527 0.005 0.000 0.347 320 F C 1.568 177.358 175.800 -0.016 0.000 1.104 320 F CA 0.015 57.974 58.000 -0.069 0.000 1.126 320 F CB 1.084 40.020 39.000 -0.106 0.000 1.145 320 F HN 0.236 nan 8.300 nan 0.000 0.541 321 G N 1.296 110.174 108.800 0.129 0.000 2.162 321 G HA2 -0.356 3.607 3.960 0.005 0.000 0.260 321 G HA3 -0.356 3.607 3.960 0.005 0.000 0.260 321 G C 0.216 175.172 174.900 0.093 0.000 0.976 321 G CA 0.374 45.528 45.100 0.089 0.000 0.655 321 G HN 0.437 nan 8.290 nan 0.000 0.533 322 E N 0.583 120.861 120.200 0.131 0.000 2.070 322 E HA 0.447 4.800 4.350 0.005 0.000 0.282 322 E C 0.737 177.384 176.600 0.078 0.000 1.104 322 E CA -1.067 55.388 56.400 0.092 0.000 0.876 322 E CB -0.033 29.721 29.700 0.090 0.000 1.055 322 E HN 0.224 nan 8.360 nan 0.000 0.401 323 I N 5.277 125.872 120.570 0.042 0.000 3.352 323 I HA -0.188 3.985 4.170 0.005 0.000 0.289 323 I C 1.443 177.621 176.117 0.103 0.000 1.203 323 I CA 0.741 62.077 61.300 0.061 0.000 1.454 323 I CB -0.296 37.689 38.000 -0.026 0.000 1.519 323 I HN 0.720 nan 8.210 nan 0.000 0.628 324 Q N 4.724 124.609 119.800 0.141 0.000 2.170 324 Q HA -0.060 4.283 4.340 0.005 0.000 0.203 324 Q C 1.954 178.042 176.000 0.147 0.000 0.976 324 Q CA 1.464 57.345 55.803 0.130 0.000 0.858 324 Q CB -0.251 28.573 28.738 0.145 0.000 0.907 324 Q HN 0.820 nan 8.270 nan 0.000 0.433 325 G N 0.926 109.860 108.800 0.224 0.000 4.097 325 G HA2 -0.337 3.626 3.960 0.005 0.000 0.300 325 G HA3 -0.337 3.626 3.960 0.005 0.000 0.300 325 G C -0.082 174.911 174.900 0.155 0.000 0.851 325 G CA 0.917 46.167 45.100 0.250 0.000 0.716 325 G HN 0.658 nan 8.290 nan 0.000 1.485 326 D N -3.133 117.355 120.400 0.148 0.000 10.639 326 D HA -0.142 4.501 4.640 0.005 0.000 0.316 326 D C 0.652 177.008 176.300 0.093 0.000 3.166 326 D CA 0.617 54.675 54.000 0.097 0.000 2.803 326 D CB -0.723 40.117 40.800 0.066 0.000 1.250 326 D HN 0.530 nan 8.370 nan 0.000 0.958 327 K N -1.489 118.952 120.400 0.068 0.000 3.580 327 K HA -0.224 4.099 4.320 0.005 0.000 0.288 327 K C 0.121 176.766 176.600 0.074 0.000 1.160 327 K CA 1.709 58.030 56.287 0.057 0.000 1.053 327 K CB -1.768 30.759 32.500 0.045 0.000 1.362 327 K HN 0.484 nan 8.250 nan 0.000 0.436 328 S N 0.933 116.703 115.700 0.115 0.000 2.537 328 S HA 0.244 4.717 4.470 0.005 0.000 0.275 328 S C -0.358 174.351 174.600 0.182 0.000 1.272 328 S CA -0.454 57.838 58.200 0.153 0.000 1.050 328 S CB 1.496 64.833 63.200 0.228 0.000 0.961 328 S HN 0.216 nan 8.310 nan 0.000 0.496 329 E N 3.869 124.174 120.200 0.175 0.000 2.289 329 E HA 0.240 4.592 4.350 0.005 0.000 0.278 329 E C -0.134 176.647 176.600 0.301 0.000 1.032 329 E CA -0.405 56.108 56.400 0.188 0.000 0.854 329 E CB 0.439 30.231 29.700 0.153 0.000 1.046 329 E HN 0.487 nan 8.360 nan 0.000 0.409 330 M N 3.190 122.916 119.600 0.209 0.000 2.202 330 M HA 0.230 4.713 4.480 0.005 0.000 0.316 330 M C 0.142 176.602 176.300 0.268 0.000 1.138 330 M CA -0.648 54.744 55.300 0.153 0.000 1.151 330 M CB 0.214 32.808 32.600 -0.010 0.000 1.422 330 M HN 0.464 nan 8.290 nan 0.000 0.471 331 I N 1.264 121.971 120.570 0.229 0.000 2.496 331 I HA 0.009 4.182 4.170 0.005 0.000 0.285 331 I C -0.329 175.984 176.117 0.327 0.000 1.080 331 I CA -0.437 61.047 61.300 0.306 0.000 1.404 331 I CB 0.074 38.215 38.000 0.235 0.000 1.403 331 I HN 0.546 nan 8.210 nan 0.000 0.539 332 W N 5.868 127.201 121.300 0.055 0.000 2.210 332 W HA 0.139 4.802 4.660 0.005 0.000 0.330 332 W C 1.500 178.056 176.519 0.061 0.000 1.334 332 W CA -0.217 57.132 57.345 0.006 0.000 1.227 332 W CB -0.370 29.098 29.460 0.013 0.000 1.178 332 W HN 0.485 nan 8.180 nan 0.000 0.560 333 N N 1.667 120.472 118.700 0.174 0.000 2.104 333 N HA -0.094 4.649 4.740 0.005 0.000 0.190 333 N C -0.280 175.479 175.510 0.414 0.000 1.024 333 N CA 1.659 54.865 53.050 0.260 0.000 0.853 333 N CB -0.264 38.360 38.487 0.228 0.000 1.008 333 N HN 0.315 nan 8.380 nan 0.000 0.424 334 F N -3.157 116.995 119.950 0.338 0.000 2.688 334 F HA 0.531 5.061 4.527 0.005 0.000 0.308 334 F C -1.136 174.962 175.800 0.496 0.000 1.117 334 F CA -1.408 56.677 58.000 0.142 0.000 0.976 334 F CB 0.804 39.614 39.000 -0.316 0.000 1.291 334 F HN -0.115 nan 8.300 nan 0.000 0.439 335 H N 1.386 120.688 119.070 0.387 0.000 2.768 335 H HA 0.841 5.400 4.556 0.005 0.000 0.371 335 H C -1.709 173.715 175.328 0.160 0.000 1.151 335 H CA -1.083 55.191 56.048 0.378 0.000 1.165 335 H CB 2.068 31.858 29.762 0.046 0.000 1.722 335 H HN 1.093 nan 8.280 nan 0.000 0.543 336 C N 4.021 123.077 119.300 -0.406 0.000 2.561 336 C HA 0.731 5.194 4.460 0.005 0.000 0.319 336 C C -1.022 173.721 174.990 -0.412 0.000 1.198 336 C CA -0.562 58.182 59.018 -0.457 0.000 1.665 336 C CB -0.512 27.154 27.740 -0.123 0.000 2.258 336 C HN 0.929 nan 8.230 nan 0.000 0.493 337 W N 1.101 122.210 121.300 -0.318 0.000 3.018 337 W HA 0.804 5.467 4.660 0.005 0.000 0.382 337 W C -0.968 175.472 176.519 -0.132 0.000 1.161 337 W CA -0.938 56.286 57.345 -0.201 0.000 1.144 337 W CB -0.263 29.098 29.460 -0.164 0.000 1.499 337 W HN 0.682 nan 8.180 nan 0.000 0.596 338 V N -1.366 118.702 119.914 0.257 0.000 3.158 338 V HA 0.811 4.934 4.120 0.005 0.000 0.315 338 V C -0.939 175.283 176.094 0.213 0.000 1.148 338 V CA -1.195 61.160 62.300 0.093 0.000 1.042 338 V CB 1.893 33.723 31.823 0.012 0.000 1.101 338 V HN 0.741 nan 8.190 nan 0.000 0.448 339 E N 0.591 120.830 120.200 0.066 0.000 2.272 339 E HA 0.663 5.016 4.350 0.005 0.000 0.269 339 E C -1.406 175.339 176.600 0.242 0.000 0.877 339 E CA -0.636 55.847 56.400 0.138 0.000 0.755 339 E CB 2.320 31.979 29.700 -0.068 0.000 1.192 339 E HN 0.758 nan 8.360 nan 0.000 0.422 340 S N 1.803 117.707 115.700 0.339 0.000 2.532 340 S HA 0.281 4.754 4.470 0.005 0.000 0.299 340 S C -1.411 173.323 174.600 0.223 0.000 1.105 340 S CA -0.807 57.562 58.200 0.281 0.000 1.018 340 S CB 1.097 64.338 63.200 0.067 0.000 1.021 340 S HN 0.461 nan 8.310 nan 0.000 0.483 341 W N 7.328 128.503 121.300 -0.209 0.000 2.388 341 W HA 0.535 5.197 4.660 0.005 0.000 0.308 341 W C -0.811 175.500 176.519 -0.346 0.000 1.263 341 W CA -0.407 56.601 57.345 -0.562 0.000 1.286 341 W CB 0.250 29.170 29.460 -0.899 0.000 1.294 341 W HN 0.748 nan 8.180 nan 0.000 0.493 342 M N 3.932 123.102 119.600 -0.718 0.000 2.790 342 M HA 0.297 4.780 4.480 0.005 0.000 0.272 342 M C -1.187 174.797 176.300 -0.527 0.000 1.168 342 M CA -0.729 54.261 55.300 -0.517 0.000 0.829 342 M CB 1.956 34.376 32.600 -0.300 0.000 1.675 342 M HN 0.069 nan 8.290 nan 0.000 0.505 343 T N 0.407 114.760 114.554 -0.336 0.000 2.899 343 T HA 0.521 4.874 4.350 0.005 0.000 0.284 343 T C -0.339 174.276 174.700 -0.142 0.000 1.004 343 T CA -0.485 61.470 62.100 -0.242 0.000 1.043 343 T CB 0.679 69.460 68.868 -0.146 0.000 1.013 343 T HN 0.691 nan 8.240 nan 0.000 0.518 344 R N 4.031 124.479 120.500 -0.086 0.000 2.664 344 R HA 0.224 4.567 4.340 0.005 0.000 0.281 344 R C -2.403 173.905 176.300 0.014 0.000 1.383 344 R CA -1.622 54.468 56.100 -0.017 0.000 1.563 344 R CB 0.917 31.230 30.300 0.022 0.000 1.131 344 R HN 0.470 nan 8.270 nan 0.000 0.599 345 P HA -0.002 nan 4.420 nan 0.000 0.261 345 P C -0.646 176.678 177.300 0.040 0.000 1.650 345 P CA 0.626 63.739 63.100 0.021 0.000 0.846 345 P CB -0.117 31.596 31.700 0.021 0.000 1.758 346 D N -2.896 117.537 120.400 0.055 0.000 2.583 346 D HA 0.134 4.777 4.640 0.005 0.000 0.282 346 D C -0.154 176.188 176.300 0.071 0.000 1.485 346 D CA -0.122 53.919 54.000 0.069 0.000 0.834 346 D CB -0.361 40.502 40.800 0.104 0.000 1.258 346 D HN 0.051 nan 8.370 nan 0.000 0.470 347 L N 1.100 122.366 121.223 0.072 0.000 2.424 347 L HA 0.379 4.722 4.340 0.005 0.000 0.258 347 L C -0.509 176.401 176.870 0.067 0.000 0.995 347 L CA -1.341 53.557 54.840 0.097 0.000 0.821 347 L CB 2.149 44.312 42.059 0.175 0.000 1.383 347 L HN -0.013 nan 8.230 nan 0.000 0.410 348 Q N 0.669 120.502 119.800 0.055 0.000 2.348 348 Q HA 0.112 4.455 4.340 0.005 0.000 0.280 348 Q C -2.474 173.461 176.000 -0.110 0.000 1.239 348 Q CA -1.205 54.582 55.803 -0.027 0.000 0.967 348 Q CB -0.847 27.867 28.738 -0.040 0.000 1.307 348 Q HN 0.212 nan 8.270 nan 0.000 0.441 349 P HA -0.125 nan 4.420 nan 0.000 0.268 349 P C 0.753 177.931 177.300 -0.204 0.000 1.140 349 P CA 2.182 65.219 63.100 -0.104 0.000 0.751 349 P CB 0.006 31.662 31.700 -0.073 0.000 0.740 350 G N 0.967 109.662 108.800 -0.176 0.000 2.205 350 G HA2 -0.228 3.735 3.960 0.005 0.000 0.180 350 G HA3 -0.228 3.735 3.960 0.005 0.000 0.180 350 G C 0.053 174.848 174.900 -0.175 0.000 1.004 350 G CA -0.511 44.457 45.100 -0.219 0.000 0.670 350 G HN 0.458 nan 8.290 nan 0.000 0.496 351 Y N 1.987 122.246 120.300 -0.068 0.000 2.751 351 Y HA 0.487 5.039 4.550 0.005 0.000 0.289 351 Y C 0.707 176.519 175.900 -0.147 0.000 1.110 351 Y CA -1.118 56.932 58.100 -0.084 0.000 1.251 351 Y CB 0.095 38.521 38.460 -0.056 0.000 1.178 351 Y HN 0.317 nan 8.280 nan 0.000 0.540 352 E N -0.414 119.749 120.200 -0.060 0.000 2.349 352 E HA 0.615 4.968 4.350 0.005 0.000 0.265 352 E C 1.014 177.337 176.600 -0.461 0.000 1.064 352 E CA 0.311 56.551 56.400 -0.266 0.000 0.886 352 E CB 0.973 30.503 29.700 -0.282 0.000 1.036 352 E HN 0.310 nan 8.360 nan 0.000 0.413 353 G N 0.316 108.579 108.800 -0.895 0.000 2.301 353 G HA2 -0.174 3.788 3.960 0.005 0.000 0.194 353 G HA3 -0.174 3.788 3.960 0.005 0.000 0.194 353 G C -1.462 172.971 174.900 -0.779 0.000 1.266 353 G CA -0.854 43.422 45.100 -1.373 0.000 1.210 353 G HN 0.459 nan 8.290 nan 0.000 0.524 354 W N 2.555 123.798 121.300 -0.095 0.000 2.529 354 W HA 0.533 5.196 4.660 0.005 0.000 0.319 354 W C 0.366 176.835 176.519 -0.084 0.000 1.362 354 W CA -0.372 56.981 57.345 0.014 0.000 1.348 354 W CB 0.744 30.248 29.460 0.074 0.000 1.403 354 W HN 0.246 nan 8.180 nan 0.000 0.519 355 Q N 3.093 123.000 119.800 0.178 0.000 2.314 355 Q HA 0.454 4.797 4.340 0.005 0.000 0.259 355 Q C -0.111 175.952 176.000 0.105 0.000 0.951 355 Q CA -0.592 55.246 55.803 0.058 0.000 0.909 355 Q CB 1.649 30.377 28.738 -0.018 0.000 1.236 355 Q HN 0.523 nan 8.270 nan 0.000 0.444 356 A N 4.453 127.305 122.820 0.055 0.000 2.350 356 A HA 0.487 4.810 4.320 0.005 0.000 0.293 356 A C -0.389 177.184 177.584 -0.019 0.000 1.231 356 A CA -0.313 51.765 52.037 0.067 0.000 0.883 356 A CB 0.005 18.992 19.000 -0.022 0.000 1.133 356 A HN 0.708 nan 8.150 nan 0.000 0.533 357 L N 3.041 124.290 121.223 0.043 0.000 2.313 357 L HA 0.368 4.711 4.340 0.005 0.000 0.283 357 L C -0.431 176.453 176.870 0.024 0.000 1.013 357 L CA -0.546 54.288 54.840 -0.009 0.000 0.816 357 L CB 1.764 43.817 42.059 -0.010 0.000 1.236 357 L HN 0.697 nan 8.230 nan 0.000 0.419 358 D N 5.890 126.264 120.400 -0.044 0.000 2.414 358 D HA 0.252 4.894 4.640 0.005 0.000 0.232 358 D C -2.072 174.218 176.300 -0.017 0.000 1.070 358 D CA -1.607 52.408 54.000 0.025 0.000 0.839 358 D CB 2.404 43.191 40.800 -0.022 0.000 1.079 358 D HN 0.245 nan 8.370 nan 0.000 0.521 359 P HA 0.078 nan 4.420 nan 0.000 0.255 359 P C -0.168 177.100 177.300 -0.053 0.000 1.301 359 P CA -0.064 62.999 63.100 -0.062 0.000 0.817 359 P CB 0.166 31.852 31.700 -0.024 0.000 1.259 360 T N 2.717 117.341 114.554 0.117 0.000 2.743 360 T HA 0.384 4.737 4.350 0.005 0.000 0.292 360 T C -2.647 172.095 174.700 0.070 0.000 0.972 360 T CA -1.754 60.494 62.100 0.246 0.000 0.967 360 T CB 1.069 70.246 68.868 0.515 0.000 0.926 360 T HN -0.031 nan 8.240 nan 0.000 0.459 361 P HA 0.222 nan 4.420 nan 0.000 0.271 361 P C -0.781 176.474 177.300 -0.074 0.000 1.216 361 P CA -0.423 62.620 63.100 -0.095 0.000 0.771 361 P CB 0.355 32.008 31.700 -0.078 0.000 0.864 362 Q N 0.552 120.231 119.800 -0.201 0.000 2.331 362 Q HA 0.361 4.704 4.340 0.005 0.000 0.272 362 Q C -0.699 175.118 176.000 -0.305 0.000 1.062 362 Q CA -1.021 54.582 55.803 -0.334 0.000 0.806 362 Q CB 1.738 30.107 28.738 -0.615 0.000 1.312 362 Q HN 0.272 nan 8.270 nan 0.000 0.431 363 E N 2.847 122.912 120.200 -0.225 0.000 2.614 363 E HA -0.037 4.316 4.350 0.005 0.000 0.245 363 E C -0.883 175.639 176.600 -0.129 0.000 1.039 363 E CA 0.682 57.003 56.400 -0.131 0.000 0.948 363 E CB 0.475 30.124 29.700 -0.085 0.000 0.937 363 E HN 0.475 nan 8.360 nan 0.000 0.498 364 K N 1.061 121.413 120.400 -0.079 0.000 2.416 364 K HA 0.171 4.494 4.320 0.005 0.000 0.244 364 K C 1.122 177.832 176.600 0.182 0.000 1.044 364 K CA -0.213 56.118 56.287 0.073 0.000 0.972 364 K CB 0.666 33.172 32.500 0.011 0.000 1.286 364 K HN 0.425 nan 8.250 nan 0.000 0.500 365 S N 0.003 115.879 115.700 0.294 0.000 2.805 365 S HA -0.064 4.409 4.470 0.005 0.000 0.230 365 S C 0.319 174.969 174.600 0.084 0.000 0.968 365 S CA 0.843 59.125 58.200 0.137 0.000 0.976 365 S CB -0.586 62.662 63.200 0.079 0.000 0.787 365 S HN 0.618 nan 8.310 nan 0.000 0.533 366 E N -0.801 119.448 120.200 0.082 0.000 3.383 366 E HA 0.333 4.686 4.350 0.005 0.000 0.256 366 E C 1.008 177.631 176.600 0.038 0.000 1.197 366 E CA 0.177 56.608 56.400 0.051 0.000 1.851 366 E CB -0.081 29.650 29.700 0.051 0.000 2.128 366 E HN 0.396 nan 8.360 nan 0.000 0.951 367 G N 0.235 109.059 108.800 0.041 0.000 3.198 367 G HA2 0.409 4.372 3.960 0.005 0.000 0.166 367 G HA3 0.409 4.372 3.960 0.005 0.000 0.166 367 G C -1.009 173.902 174.900 0.019 0.000 1.134 367 G CA -0.075 45.042 45.100 0.029 0.000 0.941 367 G HN -0.032 nan 8.290 nan 0.000 0.639 368 T N 0.696 115.271 114.554 0.035 0.000 3.077 368 T HA 0.559 4.911 4.350 0.005 0.000 0.359 368 T C -1.739 173.026 174.700 0.107 0.000 1.108 368 T CA -0.086 62.031 62.100 0.028 0.000 1.170 368 T CB 0.665 69.543 68.868 0.016 0.000 1.045 368 T HN 0.429 nan 8.240 nan 0.000 0.505 369 Y N 1.656 121.902 120.300 -0.090 0.000 2.805 369 Y HA 0.693 5.246 4.550 0.005 0.000 0.323 369 Y C -0.058 175.772 175.900 -0.117 0.000 1.279 369 Y CA -1.680 56.373 58.100 -0.079 0.000 1.103 369 Y CB 0.860 39.291 38.460 -0.049 0.000 1.324 369 Y HN 0.708 nan 8.280 nan 0.000 0.498 370 c N -0.422 117.673 118.600 -0.841 0.000 2.484 370 c HA 0.916 5.489 4.570 0.005 0.000 0.409 370 c C -0.107 173.782 174.090 -0.334 0.000 1.434 370 c CA -1.000 55.002 56.329 -0.544 0.000 1.913 370 c CB 0.401 42.582 42.510 -0.548 0.000 2.028 370 c HN 0.800 nan 8.230 nan 0.000 0.516 371 C N -0.289 118.885 119.300 -0.210 0.000 2.871 371 C HA 1.026 5.489 4.460 0.005 0.000 0.351 371 C C 0.756 175.714 174.990 -0.052 0.000 1.338 371 C CA 0.739 59.712 59.018 -0.074 0.000 1.686 371 C CB 0.401 28.100 27.740 -0.068 0.000 2.135 371 C HN 2.037 nan 8.230 nan 0.000 0.476 372 G N 1.467 110.283 108.800 0.026 0.000 2.795 372 G HA2 -0.019 3.944 3.960 0.005 0.000 0.664 372 G HA3 -0.019 3.944 3.960 0.005 0.000 0.664 372 G C -3.204 171.652 174.900 -0.073 0.000 1.381 372 G CA -0.770 44.331 45.100 0.002 0.000 0.853 372 G HN 0.659 nan 8.290 nan 0.000 0.545 373 P HA 0.500 nan 4.420 nan 0.000 0.280 373 P C -0.503 176.828 177.300 0.053 0.000 1.244 373 P CA -0.206 62.852 63.100 -0.070 0.000 0.784 373 P CB 1.899 33.529 31.700 -0.116 0.000 0.913 374 V N 4.932 124.857 119.914 0.018 0.000 2.709 374 V HA 0.460 4.583 4.120 0.005 0.000 0.308 374 V C -2.665 173.375 176.094 -0.090 0.000 1.062 374 V CA -3.005 59.292 62.300 -0.005 0.000 0.901 374 V CB 2.301 34.111 31.823 -0.021 0.000 1.003 374 V HN 0.344 nan 8.190 nan 0.000 0.425 375 P HA 0.117 nan 4.420 nan 0.000 0.267 375 P C 0.751 177.914 177.300 -0.230 0.000 1.205 375 P CA 0.186 63.155 63.100 -0.218 0.000 0.765 375 P CB 1.052 32.504 31.700 -0.414 0.000 0.828 376 V N 4.287 124.097 119.914 -0.173 0.000 2.358 376 V HA -0.193 3.930 4.120 0.005 0.000 0.246 376 V C 2.435 178.382 176.094 -0.244 0.000 1.047 376 V CA 1.483 63.599 62.300 -0.307 0.000 1.035 376 V CB -0.887 30.729 31.823 -0.344 0.000 0.658 376 V HN 0.650 nan 8.190 nan 0.000 0.452 377 R N 0.365 120.797 120.500 -0.113 0.000 2.170 377 R HA -0.187 4.156 4.340 0.005 0.000 0.242 377 R C 2.174 178.475 176.300 0.001 0.000 1.145 377 R CA 1.703 57.801 56.100 -0.002 0.000 0.984 377 R CB -0.500 29.893 30.300 0.154 0.000 0.869 377 R HN 0.537 nan 8.270 nan 0.000 0.455 378 A N 0.912 123.603 122.820 -0.216 0.000 1.872 378 A HA -0.076 4.247 4.320 0.005 0.000 0.214 378 A C 2.037 179.577 177.584 -0.074 0.000 1.187 378 A CA 0.906 52.768 52.037 -0.291 0.000 0.614 378 A CB -0.296 18.322 19.000 -0.636 0.000 0.826 378 A HN 0.200 nan 8.150 nan 0.000 0.442 379 I N 0.030 120.550 120.570 -0.082 0.000 2.567 379 I HA -0.168 4.005 4.170 0.005 0.000 0.257 379 I C 2.198 178.417 176.117 0.171 0.000 1.184 379 I CA 1.619 62.969 61.300 0.084 0.000 1.451 379 I CB -1.048 36.937 38.000 -0.027 0.000 1.089 379 I HN 0.447 nan 8.210 nan 0.000 0.441 380 K N 0.883 121.302 120.400 0.032 0.000 2.137 380 K HA -0.091 4.232 4.320 0.005 0.000 0.202 380 K C 1.872 178.589 176.600 0.195 0.000 1.052 380 K CA 0.717 57.014 56.287 0.016 0.000 0.961 380 K CB 0.315 32.700 32.500 -0.192 0.000 0.741 380 K HN 0.106 nan 8.250 nan 0.000 0.452 381 E N -0.494 119.840 120.200 0.223 0.000 2.158 381 E HA -0.038 4.315 4.350 0.005 0.000 0.191 381 E C 1.161 177.903 176.600 0.237 0.000 0.982 381 E CA 1.165 57.737 56.400 0.287 0.000 0.823 381 E CB 0.284 30.130 29.700 0.243 0.000 0.766 381 E HN 0.576 nan 8.360 nan 0.000 0.468 382 G N 2.154 111.073 108.800 0.199 0.000 2.148 382 G HA2 -0.235 3.728 3.960 0.005 0.000 0.203 382 G HA3 -0.235 3.728 3.960 0.005 0.000 0.203 382 G C 0.092 174.933 174.900 -0.099 0.000 0.993 382 G CA 0.198 45.307 45.100 0.016 0.000 0.661 382 G HN 0.246 nan 8.290 nan 0.000 0.518 383 D N 0.828 121.223 120.400 -0.009 0.000 2.848 383 D HA 0.321 4.964 4.640 0.005 0.000 0.232 383 D C 2.048 178.293 176.300 -0.092 0.000 1.107 383 D CA -0.403 53.590 54.000 -0.012 0.000 1.020 383 D CB -0.343 40.515 40.800 0.097 0.000 1.148 383 D HN 0.160 nan 8.370 nan 0.000 0.453 384 L N 0.349 121.469 121.223 -0.172 0.000 2.556 384 L HA -0.124 4.218 4.340 0.005 0.000 0.230 384 L C 2.147 178.933 176.870 -0.140 0.000 1.163 384 L CA 1.134 55.856 54.840 -0.198 0.000 0.819 384 L CB -0.495 41.389 42.059 -0.292 0.000 0.939 384 L HN 0.152 nan 8.230 nan 0.000 0.452 385 S N -2.083 113.555 115.700 -0.104 0.000 2.558 385 S HA 0.056 4.529 4.470 0.005 0.000 0.217 385 S C 0.919 175.467 174.600 -0.087 0.000 0.975 385 S CA 0.026 58.174 58.200 -0.087 0.000 0.912 385 S CB -0.168 62.997 63.200 -0.058 0.000 0.776 385 S HN 0.416 nan 8.310 nan 0.000 0.526 386 T N 3.693 118.190 114.554 -0.095 0.000 2.928 386 T HA 0.073 4.426 4.350 0.005 0.000 0.305 386 T C 0.331 174.941 174.700 -0.151 0.000 1.035 386 T CA -0.034 61.997 62.100 -0.114 0.000 1.145 386 T CB 0.320 69.053 68.868 -0.224 0.000 0.963 386 T HN 0.008 nan 8.240 nan 0.000 0.545 387 K N 2.733 123.016 120.400 -0.195 0.000 2.524 387 K HA -0.005 4.318 4.320 0.005 0.000 0.279 387 K C -0.574 175.795 176.600 -0.385 0.000 0.993 387 K CA 0.516 56.536 56.287 -0.444 0.000 1.030 387 K CB -0.168 31.940 32.500 -0.653 0.000 0.891 387 K HN 0.740 nan 8.250 nan 0.000 0.488 388 Y N 0.664 120.965 120.300 0.002 0.000 3.001 388 Y HA -0.186 4.367 4.550 0.005 0.000 0.103 388 Y C 0.032 175.948 175.900 0.027 0.000 2.298 388 Y CA 0.134 58.246 58.100 0.019 0.000 1.132 388 Y CB -2.287 36.176 38.460 0.006 0.000 1.766 388 Y HN 0.940 nan 8.280 nan 0.000 0.315 389 D N -1.661 118.830 120.400 0.153 0.000 2.811 389 D HA -0.308 4.335 4.640 0.005 0.000 0.231 389 D C 1.475 177.850 176.300 0.126 0.000 1.157 389 D CA 0.918 55.048 54.000 0.217 0.000 0.716 389 D CB -0.848 40.132 40.800 0.299 0.000 1.077 389 D HN 0.736 nan 8.370 nan 0.000 0.428 390 A N 0.171 123.003 122.820 0.020 0.000 1.927 390 A HA -0.154 4.169 4.320 0.005 0.000 0.220 390 A C -0.075 177.504 177.584 -0.009 0.000 1.185 390 A CA 1.897 53.924 52.037 -0.018 0.000 0.639 390 A CB -1.167 17.786 19.000 -0.079 0.000 0.820 390 A HN 0.309 nan 8.150 nan 0.000 0.451 391 P HA -0.138 nan 4.420 nan 0.000 0.215 391 P C 1.011 178.227 177.300 -0.140 0.000 1.153 391 P CA 1.112 64.100 63.100 -0.186 0.000 0.853 391 P CB -0.157 31.326 31.700 -0.362 0.000 0.788 392 F N -0.806 119.138 119.950 -0.009 0.000 2.084 392 F HA -0.147 4.383 4.527 0.005 0.000 0.296 392 F C 2.343 178.118 175.800 -0.042 0.000 1.111 392 F CA 1.140 59.120 58.000 -0.034 0.000 1.224 392 F CB -1.638 37.324 39.000 -0.063 0.000 0.991 392 F HN -0.311 nan 8.300 nan 0.000 0.471 393 V N -0.387 119.599 119.914 0.121 0.000 2.546 393 V HA -0.320 3.803 4.120 0.005 0.000 0.254 393 V C 2.111 178.245 176.094 0.066 0.000 1.076 393 V CA 1.659 63.936 62.300 -0.038 0.000 1.087 393 V CB -0.999 30.761 31.823 -0.105 0.000 0.674 393 V HN 0.290 nan 8.190 nan 0.000 0.470 394 F N 1.368 121.306 119.950 -0.021 0.000 2.128 394 F HA -0.016 4.514 4.527 0.005 0.000 0.295 394 F C 2.301 178.087 175.800 -0.023 0.000 1.100 394 F CA 1.379 59.375 58.000 -0.006 0.000 1.260 394 F CB -0.377 38.595 39.000 -0.047 0.000 1.009 394 F HN 0.077 nan 8.300 nan 0.000 0.476 395 A N -0.636 122.237 122.820 0.088 0.000 2.066 395 A HA -0.124 4.199 4.320 0.005 0.000 0.218 395 A C 1.945 179.522 177.584 -0.012 0.000 1.157 395 A CA 1.405 53.432 52.037 -0.016 0.000 0.670 395 A CB -0.738 18.274 19.000 0.020 0.000 0.804 395 A HN 0.432 nan 8.150 nan 0.000 0.453 396 E N -0.284 119.934 120.200 0.029 0.000 2.110 396 E HA -0.117 4.236 4.350 0.005 0.000 0.193 396 E C 1.530 178.190 176.600 0.100 0.000 0.988 396 E CA 1.761 58.203 56.400 0.071 0.000 0.804 396 E CB -0.081 29.631 29.700 0.020 0.000 0.745 396 E HN 0.284 nan 8.360 nan 0.000 0.458 397 V N 0.364 120.297 119.914 0.033 0.000 3.379 397 V HA 0.126 4.248 4.120 0.005 0.000 0.249 397 V C 0.878 176.930 176.094 -0.069 0.000 1.184 397 V CA 0.735 63.054 62.300 0.031 0.000 1.106 397 V CB 0.060 31.938 31.823 0.091 0.000 0.826 397 V HN 0.219 nan 8.190 nan 0.000 0.465 398 N N 0.517 119.067 118.700 -0.250 0.000 2.200 398 N HA 0.313 5.055 4.740 0.005 0.000 0.224 398 N C 0.586 175.942 175.510 -0.257 0.000 1.179 398 N CA 0.311 53.178 53.050 -0.304 0.000 0.877 398 N CB 1.142 39.190 38.487 -0.732 0.000 1.072 398 N HN 0.381 nan 8.380 nan 0.000 0.519 399 A N 0.778 123.518 122.820 -0.132 0.000 2.547 399 A HA 0.066 4.389 4.320 0.005 0.000 0.233 399 A C 0.176 177.786 177.584 0.045 0.000 1.067 399 A CA 0.507 52.513 52.037 -0.052 0.000 0.763 399 A CB 0.286 19.291 19.000 0.008 0.000 1.007 399 A HN 0.099 nan 8.150 nan 0.000 0.506 400 D N -0.270 120.190 120.400 0.100 0.000 2.252 400 D HA 0.609 5.251 4.640 0.005 0.000 0.245 400 D C -1.136 175.193 176.300 0.048 0.000 1.009 400 D CA -0.140 53.917 54.000 0.096 0.000 0.870 400 D CB 1.785 42.652 40.800 0.111 0.000 1.251 400 D HN 0.212 nan 8.370 nan 0.000 0.460 401 V N 2.353 122.287 119.914 0.034 0.000 2.709 401 V HA 0.520 4.643 4.120 0.005 0.000 0.308 401 V C -0.396 175.675 176.094 -0.037 0.000 1.062 401 V CA -0.830 61.484 62.300 0.024 0.000 0.901 401 V CB 2.119 34.020 31.823 0.129 0.000 1.003 401 V HN 0.399 nan 8.190 nan 0.000 0.425 402 V N 2.782 122.633 119.914 -0.106 0.000 2.531 402 V HA 0.461 4.584 4.120 0.005 0.000 0.301 402 V C -0.849 175.045 176.094 -0.333 0.000 1.034 402 V CA -0.600 61.536 62.300 -0.273 0.000 0.865 402 V CB 2.041 33.642 31.823 -0.370 0.000 0.995 402 V HN 0.862 nan 8.190 nan 0.000 0.424 403 D N 4.345 124.538 120.400 -0.346 0.000 2.412 403 D HA 0.261 4.904 4.640 0.005 0.000 0.224 403 D C -0.841 175.236 176.300 -0.372 0.000 1.093 403 D CA -0.081 53.776 54.000 -0.238 0.000 0.850 403 D CB 1.291 42.039 40.800 -0.088 0.000 1.046 403 D HN 0.441 nan 8.370 nan 0.000 0.507 404 W N 2.437 123.603 121.300 -0.224 0.000 2.376 404 W HA 0.448 5.111 4.660 0.005 0.000 0.322 404 W C 0.518 176.980 176.519 -0.095 0.000 1.160 404 W CA -0.632 56.611 57.345 -0.170 0.000 1.218 404 W CB 1.147 30.458 29.460 -0.248 0.000 1.205 404 W HN 0.111 nan 8.180 nan 0.000 0.559 405 I N 2.738 123.396 120.570 0.146 0.000 2.389 405 I HA 0.135 4.308 4.170 0.005 0.000 0.288 405 I C 0.021 176.131 176.117 -0.013 0.000 0.999 405 I CA -1.091 60.180 61.300 -0.048 0.000 1.129 405 I CB 1.301 39.042 38.000 -0.431 0.000 1.288 405 I HN 0.302 nan 8.210 nan 0.000 0.444 406 Q N 4.545 124.387 119.800 0.070 0.000 2.300 406 Q HA 0.022 4.365 4.340 0.005 0.000 0.280 406 Q C -0.426 175.588 176.000 0.024 0.000 1.033 406 Q CA 0.063 55.910 55.803 0.073 0.000 0.903 406 Q CB 0.790 29.583 28.738 0.092 0.000 1.195 406 Q HN 0.379 nan 8.270 nan 0.000 0.386 407 Q N 1.848 121.674 119.800 0.043 0.000 2.279 407 Q HA 0.043 4.386 4.340 0.005 0.000 0.256 407 Q C -0.807 175.228 176.000 0.058 0.000 0.937 407 Q CA -0.076 55.766 55.803 0.063 0.000 0.933 407 Q CB 0.828 29.622 28.738 0.094 0.000 1.189 407 Q HN 0.387 nan 8.270 nan 0.000 0.417 408 D N 3.293 123.733 120.400 0.065 0.000 2.826 408 D HA 0.015 4.658 4.640 0.005 0.000 0.247 408 D C -0.676 175.652 176.300 0.047 0.000 1.238 408 D CA 0.398 54.432 54.000 0.057 0.000 0.894 408 D CB -0.347 40.491 40.800 0.063 0.000 1.100 408 D HN 0.592 nan 8.370 nan 0.000 0.453 409 D N -2.525 117.901 120.400 0.043 0.000 3.941 409 D HA 0.314 4.956 4.640 0.005 0.000 0.254 409 D C 0.720 177.037 176.300 0.028 0.000 1.536 409 D CA -0.346 53.675 54.000 0.035 0.000 0.788 409 D CB -0.226 40.600 40.800 0.043 0.000 1.432 409 D HN 0.160 nan 8.370 nan 0.000 0.733 410 G N 0.285 109.096 108.800 0.018 0.000 2.204 410 G HA2 0.273 4.236 3.960 0.005 0.000 0.153 410 G HA3 0.273 4.236 3.960 0.005 0.000 0.153 410 G C -0.205 174.689 174.900 -0.009 0.000 1.295 410 G CA -0.122 44.979 45.100 0.002 0.000 1.257 410 G HN 0.988 nan 8.290 nan 0.000 0.495 411 S N -0.185 115.505 115.700 -0.018 0.000 2.617 411 S HA 0.634 5.107 4.470 0.005 0.000 0.259 411 S C 0.830 175.430 174.600 -0.001 0.000 1.301 411 S CA 0.435 58.608 58.200 -0.045 0.000 0.984 411 S CB 0.984 64.136 63.200 -0.081 0.000 0.954 411 S HN 2.060 nan 8.310 nan 0.000 0.572 412 V N -0.635 119.268 119.914 -0.018 0.000 2.904 412 V HA 0.528 4.651 4.120 0.005 0.000 0.305 412 V C -0.022 176.184 176.094 0.188 0.000 1.067 412 V CA -0.729 61.632 62.300 0.100 0.000 1.044 412 V CB 0.805 32.740 31.823 0.188 0.000 1.050 412 V HN 0.980 nan 8.190 nan 0.000 0.475 413 H N 2.025 121.217 119.070 0.203 0.000 2.547 413 H HA 0.402 4.961 4.556 0.005 0.000 0.342 413 H C -0.348 175.163 175.328 0.307 0.000 1.048 413 H CA -0.708 55.491 56.048 0.252 0.000 1.204 413 H CB 1.772 31.583 29.762 0.081 0.000 1.493 413 H HN 0.928 nan 8.280 nan 0.000 0.511 414 K N 2.768 123.449 120.400 0.469 0.000 2.448 414 K HA 0.096 4.419 4.320 0.005 0.000 0.278 414 K C -0.239 176.351 176.600 -0.017 0.000 1.009 414 K CA -0.027 56.128 56.287 -0.220 0.000 0.995 414 K CB 0.413 32.614 32.500 -0.499 0.000 0.917 414 K HN 0.638 nan 8.250 nan 0.000 0.481 415 S N 4.035 119.644 115.700 -0.153 0.000 2.621 415 S HA 0.498 4.971 4.470 0.005 0.000 0.302 415 S C -0.034 174.524 174.600 -0.071 0.000 1.093 415 S CA -1.069 57.119 58.200 -0.019 0.000 1.017 415 S CB 0.942 64.155 63.200 0.020 0.000 1.077 415 S HN 0.535 nan 8.310 nan 0.000 0.517 416 I N 2.515 123.073 120.570 -0.019 0.000 2.312 416 I HA 0.308 4.481 4.170 0.005 0.000 0.291 416 I C -0.118 175.985 176.117 -0.023 0.000 1.031 416 I CA -0.345 60.936 61.300 -0.031 0.000 1.293 416 I CB 0.710 38.699 38.000 -0.019 0.000 1.403 416 I HN 0.713 nan 8.210 nan 0.000 0.484 417 N N 6.006 124.688 118.700 -0.029 0.000 2.844 417 N HA 0.225 4.967 4.740 0.005 0.000 0.268 417 N C 0.541 176.053 175.510 0.003 0.000 1.574 417 N CA -0.481 52.563 53.050 -0.010 0.000 0.838 417 N CB 0.505 38.982 38.487 -0.015 0.000 1.177 417 N HN 0.353 nan 8.380 nan 0.000 0.495 418 R N -0.287 120.219 120.500 0.009 0.000 2.339 418 R HA 0.003 4.346 4.340 0.005 0.000 0.199 418 R C 0.847 177.165 176.300 0.031 0.000 1.018 418 R CA 0.852 56.964 56.100 0.019 0.000 1.036 418 R CB -0.003 30.309 30.300 0.020 0.000 0.899 418 R HN 0.464 nan 8.270 nan 0.000 0.473 419 S N -0.223 115.497 115.700 0.033 0.000 2.634 419 S HA 0.144 4.617 4.470 0.005 0.000 0.221 419 S C 0.485 175.114 174.600 0.050 0.000 0.952 419 S CA -0.410 57.815 58.200 0.042 0.000 0.930 419 S CB 0.102 63.328 63.200 0.045 0.000 0.780 419 S HN 0.191 nan 8.310 nan 0.000 0.498 420 L N 1.165 122.418 121.223 0.050 0.000 2.362 420 L HA 0.730 5.073 4.340 0.005 0.000 0.271 420 L C -1.740 175.174 176.870 0.073 0.000 1.002 420 L CA -1.170 53.709 54.840 0.065 0.000 0.818 420 L CB 1.785 43.882 42.059 0.064 0.000 1.298 420 L HN 0.231 nan 8.230 nan 0.000 0.420 421 I N 4.918 125.542 120.570 0.089 0.000 2.586 421 I HA 0.263 4.435 4.170 0.005 0.000 0.288 421 I C -0.789 175.395 176.117 0.112 0.000 1.147 421 I CA -0.764 60.592 61.300 0.093 0.000 1.047 421 I CB 2.146 40.196 38.000 0.085 0.000 1.244 421 I HN 0.172 nan 8.210 nan 0.000 0.429 422 V N 4.693 124.673 119.914 0.110 0.000 2.432 422 V HA 0.616 4.739 4.120 0.005 0.000 0.271 422 V C 0.858 177.016 176.094 0.107 0.000 1.046 422 V CA 0.005 62.375 62.300 0.117 0.000 0.945 422 V CB 0.722 32.604 31.823 0.098 0.000 0.992 422 V HN 1.100 nan 8.190 nan 0.000 0.471 423 G N 4.542 113.415 108.800 0.121 0.000 2.956 423 G HA2 -0.089 3.874 3.960 0.005 0.000 0.263 423 G HA3 -0.089 3.874 3.960 0.005 0.000 0.263 423 G C -1.137 173.818 174.900 0.091 0.000 1.090 423 G CA -0.659 44.498 45.100 0.096 0.000 1.185 423 G HN 0.486 nan 8.290 nan 0.000 0.566 424 L N 1.036 122.335 121.223 0.127 0.000 2.333 424 L HA 0.727 5.070 4.340 0.005 0.000 0.269 424 L C 1.203 178.146 176.870 0.122 0.000 1.010 424 L CA -1.094 53.814 54.840 0.113 0.000 0.818 424 L CB 1.420 43.559 42.059 0.134 0.000 1.306 424 L HN 0.365 nan 8.230 nan 0.000 0.430 425 K N 2.327 122.736 120.400 0.015 0.000 3.196 425 K HA -0.219 4.104 4.320 0.005 0.000 0.261 425 K C -0.151 176.458 176.600 0.015 0.000 0.872 425 K CA 0.691 56.950 56.287 -0.046 0.000 0.645 425 K CB -1.842 30.517 32.500 -0.234 0.000 1.433 425 K HN 0.481 nan 8.250 nan 0.000 0.471 426 I N 1.766 122.312 120.570 -0.040 0.000 2.872 426 I HA -0.176 3.997 4.170 0.005 0.000 0.287 426 I C 0.948 176.941 176.117 -0.206 0.000 1.197 426 I CA 0.710 61.902 61.300 -0.180 0.000 1.390 426 I CB -0.214 37.584 38.000 -0.337 0.000 1.400 426 I HN 0.200 nan 8.210 nan 0.000 0.544 427 S N 3.838 119.400 115.700 -0.231 0.000 2.634 427 S HA 0.841 5.314 4.470 0.005 0.000 0.296 427 S C -0.371 174.042 174.600 -0.312 0.000 1.104 427 S CA -0.831 57.176 58.200 -0.322 0.000 0.920 427 S CB 2.616 65.528 63.200 -0.480 0.000 1.111 427 S HN 0.630 nan 8.310 nan 0.000 0.493 428 T N -0.216 114.156 114.554 -0.304 0.000 2.830 428 T HA 0.403 4.756 4.350 0.005 0.000 0.322 428 T C -1.277 173.446 174.700 0.037 0.000 1.501 428 T CA -0.800 61.261 62.100 -0.065 0.000 1.036 428 T CB 1.416 70.204 68.868 -0.134 0.000 1.379 428 T HN 0.856 nan 8.240 nan 0.000 0.493 429 K N 1.736 122.316 120.400 0.301 0.000 2.455 429 K HA 0.276 4.598 4.320 0.005 0.000 0.269 429 K C -0.106 176.556 176.600 0.104 0.000 0.972 429 K CA 0.041 56.501 56.287 0.287 0.000 0.938 429 K CB 0.191 32.804 32.500 0.189 0.000 0.931 429 K HN 0.580 nan 8.250 nan 0.000 0.507 430 S N 1.323 117.070 115.700 0.078 0.000 2.584 430 S HA 0.075 4.548 4.470 0.005 0.000 0.273 430 S C -0.619 173.951 174.600 -0.051 0.000 1.311 430 S CA -0.881 57.328 58.200 0.016 0.000 1.034 430 S CB 1.509 64.720 63.200 0.019 0.000 0.939 430 S HN 0.510 nan 8.310 nan 0.000 0.513 431 V N 3.379 123.242 119.914 -0.085 0.000 2.421 431 V HA 0.510 4.633 4.120 0.005 0.000 0.271 431 V C 1.098 177.102 176.094 -0.151 0.000 1.031 431 V CA 1.075 63.249 62.300 -0.209 0.000 1.032 431 V CB -0.497 31.190 31.823 -0.226 0.000 1.009 431 V HN 1.263 nan 8.190 nan 0.000 0.477 432 G N 5.445 114.147 108.800 -0.164 0.000 2.179 432 G HA2 -0.237 3.726 3.960 0.005 0.000 0.260 432 G HA3 -0.237 3.726 3.960 0.005 0.000 0.260 432 G C 0.324 175.182 174.900 -0.071 0.000 0.977 432 G CA 0.586 45.620 45.100 -0.111 0.000 0.641 432 G HN 0.883 nan 8.290 nan 0.000 0.533 433 R N -1.238 119.227 120.500 -0.058 0.000 2.885 433 R HA 0.573 4.916 4.340 0.005 0.000 0.260 433 R C -0.435 175.872 176.300 0.012 0.000 1.107 433 R CA -0.722 55.370 56.100 -0.013 0.000 0.978 433 R CB 0.599 30.903 30.300 0.007 0.000 1.227 433 R HN -0.038 nan 8.270 nan 0.000 0.473 434 D N 0.718 121.176 120.400 0.096 0.000 2.349 434 D HA 0.002 4.645 4.640 0.005 0.000 0.214 434 D C -0.186 176.329 176.300 0.359 0.000 1.063 434 D CA 0.528 54.690 54.000 0.269 0.000 0.847 434 D CB 0.421 41.441 40.800 0.366 0.000 0.933 434 D HN 0.293 nan 8.370 nan 0.000 0.513 435 E N 0.754 121.064 120.200 0.182 0.000 2.391 435 E HA 0.086 4.439 4.350 0.005 0.000 0.255 435 E C 0.551 177.237 176.600 0.144 0.000 1.187 435 E CA -0.365 56.111 56.400 0.127 0.000 0.941 435 E CB 1.193 30.920 29.700 0.046 0.000 1.010 435 E HN 0.064 nan 8.360 nan 0.000 0.458 436 R N 0.376 120.897 120.500 0.035 0.000 2.428 436 R HA 0.170 4.513 4.340 0.005 0.000 0.294 436 R C -0.452 175.753 176.300 -0.158 0.000 1.000 436 R CA -0.318 55.702 56.100 -0.133 0.000 0.960 436 R CB 0.971 31.031 30.300 -0.399 0.000 1.076 436 R HN 0.593 nan 8.270 nan 0.000 0.475 437 E N 3.380 123.471 120.200 -0.182 0.000 2.145 437 E HA 0.035 4.388 4.350 0.005 0.000 0.262 437 E C -1.289 175.224 176.600 -0.145 0.000 0.883 437 E CA -0.622 55.710 56.400 -0.114 0.000 0.748 437 E CB 1.117 30.791 29.700 -0.044 0.000 1.140 437 E HN 0.568 nan 8.360 nan 0.000 0.417 438 D N 5.424 125.758 120.400 -0.111 0.000 2.358 438 D HA 0.036 4.679 4.640 0.005 0.000 0.258 438 D C 0.672 176.992 176.300 0.032 0.000 1.223 438 D CA -0.112 53.837 54.000 -0.085 0.000 0.886 438 D CB 0.504 41.263 40.800 -0.069 0.000 1.120 438 D HN 0.585 nan 8.370 nan 0.000 0.482 439 I N 1.064 121.617 120.570 -0.029 0.000 3.816 439 I HA 0.137 4.309 4.170 0.005 0.000 0.334 439 I C 0.950 177.033 176.117 -0.056 0.000 1.551 439 I CA -0.612 60.669 61.300 -0.031 0.000 1.153 439 I CB 0.268 38.194 38.000 -0.123 0.000 1.197 439 I HN 0.010 nan 8.210 nan 0.000 0.439 440 T N 1.199 115.764 114.554 0.017 0.000 2.915 440 T HA -0.153 4.200 4.350 0.005 0.000 0.269 440 T C 1.863 176.607 174.700 0.075 0.000 1.071 440 T CA 1.957 64.064 62.100 0.011 0.000 1.132 440 T CB -0.543 68.338 68.868 0.022 0.000 0.878 440 T HN 0.651 nan 8.240 nan 0.000 0.479 441 H N 1.115 120.204 119.070 0.031 0.000 2.545 441 H HA 0.036 4.594 4.556 0.005 0.000 0.282 441 H C 2.000 177.336 175.328 0.014 0.000 1.020 441 H CA 1.521 57.580 56.048 0.018 0.000 1.243 441 H CB -0.798 28.970 29.762 0.010 0.000 1.377 441 H HN 0.480 nan 8.280 nan 0.000 0.581 442 T N -3.089 111.208 114.554 -0.428 0.000 3.100 442 T HA -0.007 4.346 4.350 0.005 0.000 0.253 442 T C 1.156 175.805 174.700 -0.085 0.000 1.118 442 T CA 0.112 62.046 62.100 -0.278 0.000 1.058 442 T CB -0.389 68.325 68.868 -0.256 0.000 0.953 442 T HN 0.251 nan 8.240 nan 0.000 0.515 443 Y N 1.421 121.633 120.300 -0.148 0.000 2.581 443 Y HA 0.474 5.027 4.550 0.005 0.000 0.271 443 Y C 0.724 176.569 175.900 -0.091 0.000 1.100 443 Y CA -0.432 57.626 58.100 -0.071 0.000 1.281 443 Y CB 0.688 39.149 38.460 0.001 0.000 1.237 443 Y HN 0.163 nan 8.280 nan 0.000 0.514 444 K N -0.702 119.729 120.400 0.053 0.000 2.422 444 K HA 0.386 4.709 4.320 0.005 0.000 0.251 444 K C -1.768 174.799 176.600 -0.056 0.000 0.933 444 K CA -0.867 55.424 56.287 0.008 0.000 0.798 444 K CB 1.925 34.474 32.500 0.082 0.000 1.238 444 K HN -0.222 nan 8.250 nan 0.000 0.428 445 Y N 1.388 121.693 120.300 0.007 0.000 2.314 445 Y HA 0.183 4.736 4.550 0.005 0.000 0.334 445 Y C -1.871 174.029 175.900 0.001 0.000 1.266 445 Y CA -1.742 56.359 58.100 0.003 0.000 1.391 445 Y CB 0.159 38.591 38.460 -0.047 0.000 1.306 445 Y HN 0.414 nan 8.280 nan 0.000 0.558 446 P HA -0.007 nan 4.420 nan 0.000 0.266 446 P C -0.825 176.530 177.300 0.090 0.000 1.195 446 P CA 0.039 63.211 63.100 0.119 0.000 0.768 446 P CB 0.431 32.192 31.700 0.103 0.000 0.838 447 E N 1.099 121.348 120.200 0.082 0.000 2.418 447 E HA 0.205 4.558 4.350 0.005 0.000 0.261 447 E C 1.346 177.981 176.600 0.059 0.000 1.070 447 E CA 0.720 57.168 56.400 0.081 0.000 0.931 447 E CB -0.039 29.719 29.700 0.096 0.000 0.954 447 E HN 0.738 nan 8.360 nan 0.000 0.439 448 G N 2.133 110.967 108.800 0.057 0.000 2.900 448 G HA2 -0.402 3.561 3.960 0.005 0.000 0.223 448 G HA3 -0.402 3.561 3.960 0.005 0.000 0.223 448 G C 0.571 175.481 174.900 0.017 0.000 1.293 448 G CA 0.327 45.451 45.100 0.041 0.000 0.792 448 G HN 0.889 nan 8.290 nan 0.000 0.527 449 S N 0.916 116.622 115.700 0.009 0.000 2.548 449 S HA 0.292 4.764 4.470 0.005 0.000 0.266 449 S C 1.831 176.396 174.600 -0.058 0.000 1.374 449 S CA 1.525 59.714 58.200 -0.019 0.000 0.997 449 S CB 0.923 64.116 63.200 -0.012 0.000 0.855 449 S HN 2.086 nan 8.310 nan 0.000 0.534 450 S N 0.713 116.364 115.700 -0.082 0.000 2.395 450 S HA -0.070 4.403 4.470 0.005 0.000 0.225 450 S C 1.399 175.889 174.600 -0.184 0.000 1.027 450 S CA 0.796 58.937 58.200 -0.099 0.000 0.965 450 S CB -0.830 62.322 63.200 -0.080 0.000 0.812 450 S HN 0.803 nan 8.310 nan 0.000 0.482 451 E N 1.763 121.776 120.200 -0.313 0.000 2.204 451 E HA -0.095 4.258 4.350 0.005 0.000 0.195 451 E C 1.961 178.219 176.600 -0.570 0.000 0.990 451 E CA 1.235 57.250 56.400 -0.643 0.000 0.821 451 E CB -0.273 28.668 29.700 -1.265 0.000 0.750 451 E HN 0.779 nan 8.360 nan 0.000 0.477 452 E N 0.665 120.669 120.200 -0.326 0.000 2.107 452 E HA -0.166 4.187 4.350 0.005 0.000 0.191 452 E C 2.143 178.551 176.600 -0.320 0.000 0.982 452 E CA 0.586 56.808 56.400 -0.298 0.000 0.809 452 E CB 0.094 29.659 29.700 -0.224 0.000 0.756 452 E HN 0.107 nan 8.360 nan 0.000 0.459 453 R N 0.689 121.103 120.500 -0.144 0.000 2.062 453 R HA -0.138 4.205 4.340 0.005 0.000 0.229 453 R C 2.326 178.633 176.300 0.011 0.000 1.128 453 R CA 1.781 57.873 56.100 -0.013 0.000 0.960 453 R CB -0.094 30.210 30.300 0.005 0.000 0.855 453 R HN 0.240 nan 8.270 nan 0.000 0.432 454 E N -0.497 119.673 120.200 -0.051 0.000 2.338 454 E HA -0.103 4.250 4.350 0.005 0.000 0.197 454 E C 1.543 178.156 176.600 0.021 0.000 1.007 454 E CA 0.987 57.375 56.400 -0.021 0.000 0.849 454 E CB -0.012 29.652 29.700 -0.061 0.000 0.774 454 E HN 0.371 nan 8.360 nan 0.000 0.506 455 A N 1.307 124.133 122.820 0.010 0.000 1.878 455 A HA 0.077 4.400 4.320 0.005 0.000 0.213 455 A C 1.854 179.610 177.584 0.286 0.000 1.192 455 A CA 0.474 52.586 52.037 0.126 0.000 0.619 455 A CB -0.842 18.249 19.000 0.152 0.000 0.837 455 A HN 0.361 nan 8.150 nan 0.000 0.446 456 F N 0.523 120.608 119.950 0.225 0.000 2.722 456 F HA -0.096 4.434 4.527 0.005 0.000 0.298 456 F C 2.114 177.996 175.800 0.137 0.000 1.175 456 F CA 0.698 58.857 58.000 0.265 0.000 1.462 456 F CB 0.064 39.215 39.000 0.253 0.000 1.111 456 F HN 0.205 nan 8.300 nan 0.000 0.592 457 T N -0.978 113.728 114.554 0.252 0.000 2.983 457 T HA -0.010 4.343 4.350 0.005 0.000 0.250 457 T C 1.884 176.628 174.700 0.072 0.000 1.037 457 T CA 0.277 62.456 62.100 0.132 0.000 1.142 457 T CB 0.006 68.926 68.868 0.086 0.000 0.876 457 T HN 0.123 nan 8.240 nan 0.000 0.455 458 R N 1.618 122.154 120.500 0.061 0.000 2.328 458 R HA 0.235 4.578 4.340 0.005 0.000 0.207 458 R C 1.663 177.926 176.300 -0.062 0.000 1.056 458 R CA 0.640 56.743 56.100 0.006 0.000 1.016 458 R CB -0.330 29.980 30.300 0.016 0.000 0.872 458 R HN 0.360 nan 8.270 nan 0.000 0.471 459 A N 0.632 123.421 122.820 -0.053 0.000 2.469 459 A HA 0.122 4.445 4.320 0.005 0.000 0.245 459 A C 0.165 177.716 177.584 -0.055 0.000 1.221 459 A CA -0.402 51.518 52.037 -0.195 0.000 0.946 459 A CB 0.249 18.948 19.000 -0.502 0.000 1.049 459 A HN 0.233 nan 8.150 nan 0.000 0.529 460 N N -0.243 118.475 118.700 0.030 0.000 2.714 460 N HA -0.234 4.509 4.740 0.005 0.000 0.250 460 N C 0.035 175.598 175.510 0.088 0.000 1.117 460 N CA 1.336 54.412 53.050 0.043 0.000 0.719 460 N CB -1.640 36.849 38.487 0.003 0.000 1.081 460 N HN 0.785 nan 8.380 nan 0.000 0.557 461 H N 0.437 119.514 119.070 0.013 0.000 2.550 461 H HA 0.353 4.912 4.556 0.005 0.000 0.304 461 H C 0.934 176.210 175.328 -0.087 0.000 1.086 461 H CA -0.204 55.808 56.048 -0.059 0.000 1.089 461 H CB -0.294 29.424 29.762 -0.072 0.000 1.528 461 H HN 0.236 nan 8.280 nan 0.000 0.539 462 L N 1.097 122.287 121.223 -0.054 0.000 2.912 462 L HA 0.071 4.413 4.340 0.005 0.000 0.246 462 L C -0.190 176.600 176.870 -0.132 0.000 1.371 462 L CA -0.037 54.783 54.840 -0.033 0.000 1.196 462 L CB -0.481 41.603 42.059 0.043 0.000 1.596 462 L HN 0.346 nan 8.230 nan 0.000 0.429 463 N N 2.830 121.326 118.700 -0.339 0.000 2.955 463 N HA 0.195 4.938 4.740 0.005 0.000 0.242 463 N C -0.446 174.903 175.510 -0.269 0.000 1.123 463 N CA -0.215 52.672 53.050 -0.272 0.000 0.949 463 N CB 0.680 38.990 38.487 -0.294 0.000 1.214 463 N HN 0.338 nan 8.380 nan 0.000 0.504 464 K N -0.028 120.300 120.400 -0.120 0.000 2.889 464 K HA 0.183 4.506 4.320 0.005 0.000 0.252 464 K C -1.284 175.320 176.600 0.007 0.000 1.308 464 K CA -0.475 55.784 56.287 -0.046 0.000 0.952 464 K CB 0.301 32.808 32.500 0.012 0.000 1.341 464 K HN -0.013 nan 8.250 nan 0.000 0.548 465 L N 2.288 123.510 121.223 -0.002 0.000 2.839 465 L HA 0.424 4.767 4.340 0.005 0.000 0.259 465 L C 0.239 177.115 176.870 0.010 0.000 1.369 465 L CA -0.268 54.579 54.840 0.011 0.000 0.845 465 L CB 0.313 42.377 42.059 0.009 0.000 1.181 465 L HN 0.845 nan 8.230 nan 0.000 0.529 466 A N 0.745 123.574 122.820 0.015 0.000 2.627 466 A HA -0.155 4.168 4.320 0.005 0.000 0.227 466 A C 0.866 178.457 177.584 0.011 0.000 1.068 466 A CA 0.690 52.735 52.037 0.013 0.000 0.825 466 A CB -0.018 18.997 19.000 0.024 0.000 0.938 466 A HN 0.594 nan 8.150 nan 0.000 0.488 467 E N 0.974 121.178 120.200 0.006 0.000 2.232 467 E HA 0.042 4.395 4.350 0.005 0.000 0.296 467 E C 0.712 177.320 176.600 0.013 0.000 1.372 467 E CA -0.336 56.069 56.400 0.008 0.000 1.527 467 E CB 0.166 29.867 29.700 0.001 0.000 1.424 467 E HN 0.561 nan 8.360 nan 0.000 0.485 468 K N 1.868 122.279 120.400 0.018 0.000 2.633 468 K HA -0.144 4.179 4.320 0.005 0.000 0.193 468 K C 1.279 177.892 176.600 0.023 0.000 1.033 468 K CA 0.719 57.019 56.287 0.021 0.000 0.980 468 K CB 0.272 32.786 32.500 0.024 0.000 0.800 468 K HN 0.385 nan 8.250 nan 0.000 0.493 469 E N 0.904 121.117 120.200 0.021 0.000 2.162 469 E HA -0.100 4.253 4.350 0.005 0.000 0.193 469 E C 0.260 176.872 176.600 0.020 0.000 0.953 469 E CA 0.652 57.066 56.400 0.023 0.000 0.849 469 E CB -0.456 29.259 29.700 0.025 0.000 0.810 469 E HN 0.388 nan 8.360 nan 0.000 0.470 470 E N 0.953 121.161 120.200 0.013 0.000 5.391 470 E HA -0.278 4.074 4.350 0.005 0.000 0.186 470 E C 0.016 176.615 176.600 -0.001 0.000 1.508 470 E CA 1.656 58.057 56.400 0.002 0.000 2.573 470 E CB -1.600 28.098 29.700 -0.004 0.000 2.040 470 E HN 0.301 nan 8.360 nan 0.000 0.432 471 T N -2.666 111.871 114.554 -0.028 0.000 3.374 471 T HA 0.555 4.908 4.350 0.005 0.000 0.267 471 T C 1.123 175.797 174.700 -0.043 0.000 0.996 471 T CA 0.462 62.543 62.100 -0.031 0.000 0.977 471 T CB -0.319 68.508 68.868 -0.069 0.000 1.149 471 T HN 1.751 nan 8.240 nan 0.000 0.517 472 G N 1.619 110.412 108.800 -0.010 0.000 2.155 472 G HA2 -0.231 3.731 3.960 0.005 0.000 0.257 472 G HA3 -0.231 3.731 3.960 0.005 0.000 0.257 472 G C -0.100 174.781 174.900 -0.032 0.000 0.983 472 G CA 0.588 45.693 45.100 0.009 0.000 0.676 472 G HN 0.647 nan 8.290 nan 0.000 0.528 473 M N -0.410 119.141 119.600 -0.082 0.000 2.572 473 M HA 0.692 5.174 4.480 0.005 0.000 0.299 473 M C -0.224 176.042 176.300 -0.057 0.000 1.205 473 M CA -0.266 54.976 55.300 -0.096 0.000 0.876 473 M CB 2.549 35.024 32.600 -0.208 0.000 1.728 473 M HN 0.654 nan 8.290 nan 0.000 0.458 474 A N 2.751 125.552 122.820 -0.032 0.000 2.498 474 A HA 0.986 5.309 4.320 0.005 0.000 0.298 474 A C -1.590 175.997 177.584 0.005 0.000 1.075 474 A CA -0.701 51.333 52.037 -0.004 0.000 0.714 474 A CB 2.540 21.555 19.000 0.024 0.000 1.299 474 A HN 0.939 nan 8.150 nan 0.000 0.407 475 M N 1.664 121.277 119.600 0.022 0.000 2.421 475 M HA 0.653 5.136 4.480 0.005 0.000 0.287 475 M C -1.429 174.910 176.300 0.066 0.000 1.183 475 M CA -0.418 54.907 55.300 0.042 0.000 0.916 475 M CB 1.979 34.589 32.600 0.016 0.000 1.701 475 M HN 0.974 nan 8.290 nan 0.000 0.470 476 R N 3.551 124.114 120.500 0.104 0.000 2.710 476 R HA 0.610 4.953 4.340 0.005 0.000 0.270 476 R C -1.808 174.569 176.300 0.129 0.000 1.021 476 R CA -1.002 55.158 56.100 0.100 0.000 0.889 476 R CB 1.173 31.526 30.300 0.089 0.000 1.243 476 R HN 0.545 nan 8.270 nan 0.000 0.464 477 I N 2.268 122.904 120.570 0.110 0.000 2.331 477 I HA 0.404 4.577 4.170 0.005 0.000 0.292 477 I C 0.290 176.485 176.117 0.131 0.000 0.998 477 I CA -0.643 60.735 61.300 0.129 0.000 1.267 477 I CB 1.029 39.092 38.000 0.104 0.000 1.386 477 I HN 0.523 nan 8.210 nan 0.000 0.476 478 R N 4.118 124.731 120.500 0.187 0.000 2.664 478 R HA 0.510 4.853 4.340 0.005 0.000 0.286 478 R C 0.723 177.189 176.300 0.277 0.000 0.967 478 R CA -0.608 55.593 56.100 0.169 0.000 0.933 478 R CB 2.456 32.814 30.300 0.097 0.000 1.146 478 R HN 0.570 nan 8.270 nan 0.000 0.468 479 V N -1.117 118.911 119.914 0.191 0.000 3.643 479 V HA 0.345 4.468 4.120 0.005 0.000 0.280 479 V C 1.006 177.243 176.094 0.239 0.000 1.351 479 V CA 0.880 63.299 62.300 0.198 0.000 1.073 479 V CB -0.004 31.843 31.823 0.041 0.000 0.863 479 V HN 1.118 nan 8.190 nan 0.000 0.436 480 G N 1.297 110.200 108.800 0.172 0.000 4.766 480 G HA2 -0.336 3.627 3.960 0.005 0.000 0.314 480 G HA3 -0.336 3.627 3.960 0.005 0.000 0.314 480 G C 0.346 175.272 174.900 0.043 0.000 1.427 480 G CA 0.926 46.081 45.100 0.092 0.000 1.024 480 G HN 1.180 nan 8.290 nan 0.000 0.754 481 Q N 0.815 120.644 119.800 0.047 0.000 2.892 481 Q HA 0.670 5.012 4.340 0.005 0.000 0.307 481 Q C -0.076 175.883 176.000 -0.068 0.000 1.039 481 Q CA 0.308 56.111 55.803 -0.000 0.000 0.792 481 Q CB 0.933 29.676 28.738 0.008 0.000 1.504 481 Q HN 1.085 nan 8.270 nan 0.000 0.487 482 S N 1.409 117.050 115.700 -0.098 0.000 2.533 482 S HA 0.404 4.877 4.470 0.005 0.000 0.282 482 S C 0.347 174.794 174.600 -0.254 0.000 1.304 482 S CA -0.509 57.554 58.200 -0.228 0.000 1.063 482 S CB -0.208 62.907 63.200 -0.141 0.000 0.881 482 S HN 0.516 nan 8.310 nan 0.000 0.493 483 M N 3.481 122.819 119.600 -0.436 0.000 2.364 483 M HA 0.590 5.073 4.480 0.005 0.000 0.334 483 M C -1.306 174.734 176.300 -0.434 0.000 1.107 483 M CA -0.635 54.367 55.300 -0.497 0.000 0.988 483 M CB 0.690 32.599 32.600 -1.151 0.000 1.673 483 M HN 0.431 nan 8.290 nan 0.000 0.441 484 N N 2.599 121.155 118.700 -0.240 0.000 2.472 484 N HA 0.479 5.222 4.740 0.005 0.000 0.289 484 N C -0.375 175.079 175.510 -0.093 0.000 1.156 484 N CA -0.681 52.267 53.050 -0.170 0.000 0.940 484 N CB 0.892 39.324 38.487 -0.091 0.000 1.200 484 N HN 0.687 nan 8.380 nan 0.000 0.511 485 M N 1.834 121.380 119.600 -0.090 0.000 2.364 485 M HA 0.183 4.666 4.480 0.005 0.000 0.342 485 M C 0.688 177.021 176.300 0.054 0.000 1.601 485 M CA 0.704 56.019 55.300 0.026 0.000 1.156 485 M CB -1.103 31.487 32.600 -0.016 0.000 1.912 485 M HN 0.929 nan 8.290 nan 0.000 0.460 486 G N 2.840 111.725 108.800 0.142 0.000 2.227 486 G HA2 -0.168 3.795 3.960 0.005 0.000 0.168 486 G HA3 -0.168 3.795 3.960 0.005 0.000 0.168 486 G C -0.044 174.660 174.900 -0.327 0.000 1.006 486 G CA 0.239 45.150 45.100 -0.314 0.000 0.684 486 G HN 0.945 nan 8.290 nan 0.000 0.489 487 S N -0.436 115.315 115.700 0.084 0.000 2.810 487 S HA 0.818 5.291 4.470 0.005 0.000 0.315 487 S C -1.148 173.653 174.600 0.336 0.000 1.138 487 S CA -0.586 57.689 58.200 0.125 0.000 0.889 487 S CB 2.592 65.854 63.200 0.104 0.000 1.236 487 S HN 0.046 nan 8.310 nan 0.000 0.548 488 D N 0.448 120.977 120.400 0.214 0.000 2.268 488 D HA 0.763 5.406 4.640 0.005 0.000 0.249 488 D C -0.521 175.903 176.300 0.205 0.000 1.008 488 D CA 0.024 54.093 54.000 0.116 0.000 0.939 488 D CB 1.316 42.125 40.800 0.016 0.000 1.170 488 D HN 0.616 nan 8.370 nan 0.000 0.468 489 F N -1.916 118.057 119.950 0.039 0.000 2.807 489 F HA 0.430 4.959 4.527 0.005 0.000 0.316 489 F C -1.676 174.091 175.800 -0.056 0.000 1.162 489 F CA -1.128 56.871 58.000 -0.002 0.000 0.910 489 F CB 1.115 40.111 39.000 -0.008 0.000 1.314 489 F HN -0.099 nan 8.300 nan 0.000 0.454 490 D N 1.358 121.832 120.400 0.124 0.000 2.342 490 D HA 0.653 5.296 4.640 0.005 0.000 0.243 490 D C -0.832 175.342 176.300 -0.210 0.000 1.019 490 D CA -0.248 53.638 54.000 -0.191 0.000 0.864 490 D CB 2.449 43.037 40.800 -0.353 0.000 1.315 490 D HN 0.726 nan 8.370 nan 0.000 0.468 491 V N -1.214 118.440 119.914 -0.434 0.000 2.864 491 V HA 0.777 4.900 4.120 0.005 0.000 0.314 491 V C -0.934 174.822 176.094 -0.564 0.000 1.073 491 V CA -0.866 61.295 62.300 -0.232 0.000 0.956 491 V CB 1.535 33.364 31.823 0.010 0.000 1.023 491 V HN 0.289 nan 8.190 nan 0.000 0.435 492 F N 0.893 120.894 119.950 0.086 0.000 2.563 492 F HA 0.858 5.388 4.527 0.005 0.000 0.316 492 F C 0.459 176.318 175.800 0.099 0.000 1.076 492 F CA -0.857 57.196 58.000 0.089 0.000 0.921 492 F CB 2.149 41.213 39.000 0.107 0.000 1.209 492 F HN 0.806 nan 8.300 nan 0.000 0.462 493 A N 1.232 124.203 122.820 0.251 0.000 2.294 493 A HA 0.411 4.734 4.320 0.005 0.000 0.316 493 A C -1.216 176.483 177.584 0.192 0.000 1.359 493 A CA -0.337 51.804 52.037 0.175 0.000 0.956 493 A CB -0.617 18.446 19.000 0.105 0.000 1.155 493 A HN 0.800 nan 8.150 nan 0.000 0.544 494 H N 2.617 121.749 119.070 0.104 0.000 2.705 494 H HA 0.519 5.078 4.556 0.005 0.000 0.291 494 H C -0.555 174.800 175.328 0.044 0.000 1.085 494 H CA -0.141 55.950 56.048 0.072 0.000 1.357 494 H CB 0.194 29.989 29.762 0.055 0.000 1.419 494 H HN 0.565 nan 8.280 nan 0.000 0.462 495 I N 4.836 125.266 120.570 -0.233 0.000 2.321 495 I HA 0.201 4.374 4.170 0.005 0.000 0.291 495 I C -0.026 175.983 176.117 -0.180 0.000 0.998 495 I CA -0.357 60.857 61.300 -0.142 0.000 1.227 495 I CB 1.544 39.483 38.000 -0.101 0.000 1.368 495 I HN 0.519 nan 8.210 nan 0.000 0.466 496 T N 4.454 118.966 114.554 -0.069 0.000 2.797 496 T HA 0.276 4.629 4.350 0.005 0.000 0.279 496 T C -0.232 174.462 174.700 -0.010 0.000 0.991 496 T CA -0.624 61.465 62.100 -0.019 0.000 0.979 496 T CB 1.054 69.954 68.868 0.052 0.000 0.943 496 T HN 0.515 nan 8.240 nan 0.000 0.444 497 N N 2.656 121.364 118.700 0.014 0.000 2.746 497 N HA 0.172 4.915 4.740 0.005 0.000 0.250 497 N C -0.892 174.650 175.510 0.053 0.000 1.146 497 N CA -0.586 52.476 53.050 0.020 0.000 0.828 497 N CB 0.406 38.910 38.487 0.028 0.000 1.158 497 N HN 0.393 nan 8.380 nan 0.000 0.519 498 N N 2.158 120.910 118.700 0.087 0.000 3.188 498 N HA 0.273 5.016 4.740 0.005 0.000 0.279 498 N C -1.368 174.172 175.510 0.049 0.000 1.213 498 N CA 0.129 53.302 53.050 0.204 0.000 1.138 498 N CB 0.194 38.819 38.487 0.230 0.000 1.417 498 N HN 0.379 nan 8.380 nan 0.000 0.526 499 T N -0.586 113.749 114.554 -0.365 0.000 2.868 499 T HA 0.473 4.826 4.350 0.005 0.000 0.306 499 T C 0.902 174.983 174.700 -1.031 0.000 1.224 499 T CA -0.347 61.465 62.100 -0.480 0.000 1.012 499 T CB 1.457 70.290 68.868 -0.060 0.000 1.221 499 T HN 0.176 nan 8.240 nan 0.000 0.499 500 A N 0.752 123.160 122.820 -0.686 0.000 1.968 500 A HA 0.075 4.398 4.320 0.005 0.000 0.217 500 A C 0.909 178.262 177.584 -0.384 0.000 1.169 500 A CA 0.976 52.709 52.037 -0.506 0.000 0.638 500 A CB -0.274 18.622 19.000 -0.173 0.000 0.812 500 A HN 0.713 nan 8.150 nan 0.000 0.446 501 E N 1.087 121.050 120.200 -0.396 0.000 2.413 501 E HA 0.121 4.474 4.350 0.005 0.000 0.263 501 E C -0.263 176.024 176.600 -0.521 0.000 1.015 501 E CA 0.134 56.216 56.400 -0.531 0.000 0.916 501 E CB 0.333 29.497 29.700 -0.893 0.000 0.947 501 E HN 0.728 nan 8.360 nan 0.000 0.440 502 E N 2.692 122.644 120.200 -0.414 0.000 2.561 502 E HA 0.186 4.539 4.350 0.005 0.000 0.225 502 E C -0.813 175.672 176.600 -0.191 0.000 1.035 502 E CA -0.569 55.696 56.400 -0.225 0.000 0.904 502 E CB -0.105 29.517 29.700 -0.130 0.000 1.291 502 E HN 0.283 nan 8.360 nan 0.000 0.444 503 Y N 0.884 121.134 120.300 -0.084 0.000 2.469 503 Y HA 0.114 4.667 4.550 0.005 0.000 0.353 503 Y C 0.804 176.665 175.900 -0.065 0.000 1.269 503 Y CA -0.488 57.566 58.100 -0.076 0.000 1.504 503 Y CB 0.520 38.929 38.460 -0.085 0.000 1.369 503 Y HN 0.313 nan 8.280 nan 0.000 0.654 504 V N -1.195 118.796 119.914 0.128 0.000 2.524 504 V HA 0.594 4.717 4.120 0.005 0.000 0.297 504 V C -0.667 175.436 176.094 0.015 0.000 1.035 504 V CA -1.251 61.075 62.300 0.043 0.000 0.867 504 V CB 0.330 32.162 31.823 0.014 0.000 1.004 504 V HN 0.899 nan 8.190 nan 0.000 0.426 505 C N 3.455 122.746 119.300 -0.016 0.000 2.857 505 C HA 0.814 5.277 4.460 0.005 0.000 0.397 505 C C 0.146 175.097 174.990 -0.065 0.000 1.558 505 C CA -0.930 58.050 59.018 -0.063 0.000 1.694 505 C CB 1.974 29.657 27.740 -0.094 0.000 2.120 505 C HN 0.962 nan 8.230 nan 0.000 0.475 506 R N 0.604 121.044 120.500 -0.100 0.000 2.435 506 R HA 0.611 4.954 4.340 0.005 0.000 0.308 506 R C -1.547 174.689 176.300 -0.107 0.000 0.975 506 R CA -0.279 55.759 56.100 -0.102 0.000 0.867 506 R CB 1.278 31.492 30.300 -0.144 0.000 1.171 506 R HN 0.512 nan 8.270 nan 0.000 0.470 507 L N 4.485 125.674 121.223 -0.057 0.000 2.298 507 L HA 0.457 4.800 4.340 0.005 0.000 0.284 507 L C -1.436 175.440 176.870 0.011 0.000 1.013 507 L CA -0.560 54.262 54.840 -0.030 0.000 0.824 507 L CB 1.134 43.195 42.059 0.004 0.000 1.221 507 L HN 0.407 nan 8.230 nan 0.000 0.418 508 L N 6.572 127.778 121.223 -0.027 0.000 2.287 508 L HA 0.484 4.827 4.340 0.005 0.000 0.287 508 L C -0.708 176.281 176.870 0.198 0.000 1.022 508 L CA -0.553 54.303 54.840 0.026 0.000 0.814 508 L CB 1.181 43.043 42.059 -0.328 0.000 1.217 508 L HN 0.502 nan 8.230 nan 0.000 0.420 509 L N 3.795 125.255 121.223 0.394 0.000 2.325 509 L HA 0.510 4.853 4.340 0.005 0.000 0.281 509 L C -0.322 176.718 176.870 0.284 0.000 1.004 509 L CA -0.064 54.925 54.840 0.249 0.000 0.823 509 L CB 1.678 43.818 42.059 0.134 0.000 1.236 509 L HN 0.703 nan 8.230 nan 0.000 0.415 510 C N 3.907 123.331 119.300 0.207 0.000 2.446 510 C HA 0.910 5.373 4.460 0.005 0.000 0.329 510 C C -0.103 174.938 174.990 0.085 0.000 1.166 510 C CA -0.511 58.606 59.018 0.165 0.000 1.341 510 C CB 0.266 28.137 27.740 0.219 0.000 1.970 510 C HN 0.934 nan 8.230 nan 0.000 0.452 511 A N 6.265 129.111 122.820 0.044 0.000 2.317 511 A HA 0.971 5.294 4.320 0.005 0.000 0.327 511 A C -0.525 177.073 177.584 0.024 0.000 1.178 511 A CA -0.524 51.529 52.037 0.027 0.000 0.817 511 A CB 0.759 19.759 19.000 0.000 0.000 1.189 511 A HN 0.927 nan 8.150 nan 0.000 0.489 512 R N 0.492 121.007 120.500 0.026 0.000 2.626 512 R HA 0.487 4.829 4.340 0.005 0.000 0.274 512 R C -0.914 175.399 176.300 0.022 0.000 1.031 512 R CA -0.596 55.518 56.100 0.023 0.000 0.898 512 R CB 1.975 32.287 30.300 0.020 0.000 1.222 512 R HN 0.778 nan 8.270 nan 0.000 0.455 513 T N -0.423 114.147 114.554 0.027 0.000 2.799 513 T HA 0.379 4.732 4.350 0.005 0.000 0.296 513 T C 0.356 175.070 174.700 0.024 0.000 0.947 513 T CA -0.550 61.566 62.100 0.027 0.000 1.141 513 T CB 0.577 69.475 68.868 0.050 0.000 0.891 513 T HN 0.141 nan 8.240 nan 0.000 0.533 514 V N 2.948 122.878 119.914 0.027 0.000 2.994 514 V HA 0.716 4.839 4.120 0.005 0.000 0.318 514 V C 0.582 176.699 176.094 0.038 0.000 1.085 514 V CA -1.055 61.255 62.300 0.018 0.000 0.998 514 V CB 2.135 33.964 31.823 0.011 0.000 1.063 514 V HN 1.181 nan 8.190 nan 0.000 0.447 515 S N 0.767 116.471 115.700 0.007 0.000 2.690 515 S HA 0.361 4.834 4.470 0.005 0.000 0.291 515 S C 0.624 175.215 174.600 -0.015 0.000 1.138 515 S CA -0.199 58.025 58.200 0.039 0.000 1.013 515 S CB 0.754 63.962 63.200 0.013 0.000 1.053 515 S HN 0.930 nan 8.310 nan 0.000 0.539 516 Y N 1.629 121.883 120.300 -0.078 0.000 2.556 516 Y HA -0.096 4.457 4.550 0.005 0.000 0.290 516 Y C 0.911 176.549 175.900 -0.436 0.000 1.149 516 Y CA 1.590 59.523 58.100 -0.277 0.000 1.329 516 Y CB -0.943 37.263 38.460 -0.424 0.000 0.975 516 Y HN 0.749 nan 8.280 nan 0.000 0.561 517 N N -0.760 117.326 118.700 -1.024 0.000 2.203 517 N HA 0.316 5.059 4.740 0.005 0.000 0.207 517 N C 1.193 176.170 175.510 -0.888 0.000 1.130 517 N CA 0.358 52.505 53.050 -1.504 0.000 0.861 517 N CB 0.825 37.849 38.487 -2.438 0.000 1.005 517 N HN 0.426 nan 8.380 nan 0.000 0.507 518 G N 0.224 108.765 108.800 -0.431 0.000 2.201 518 G HA2 -0.230 3.733 3.960 0.005 0.000 0.212 518 G HA3 -0.230 3.733 3.960 0.005 0.000 0.212 518 G C -0.145 174.655 174.900 -0.166 0.000 0.994 518 G CA -0.196 44.765 45.100 -0.230 0.000 0.644 518 G HN 0.307 nan 8.290 nan 0.000 0.508 519 I N 3.021 123.477 120.570 -0.190 0.000 2.691 519 I HA 0.141 4.314 4.170 0.005 0.000 0.288 519 I C 1.011 177.092 176.117 -0.059 0.000 1.143 519 I CA 0.125 61.361 61.300 -0.106 0.000 1.364 519 I CB 0.110 38.058 38.000 -0.086 0.000 1.435 519 I HN 0.077 nan 8.210 nan 0.000 0.551 520 L N 6.666 127.863 121.223 -0.044 0.000 2.410 520 L HA 0.292 4.635 4.340 0.005 0.000 0.273 520 L C 1.140 178.003 176.870 -0.012 0.000 1.144 520 L CA -0.167 54.659 54.840 -0.023 0.000 0.863 520 L CB 0.193 42.240 42.059 -0.019 0.000 1.140 520 L HN 0.627 nan 8.230 nan 0.000 0.463 521 G N 3.436 112.235 108.800 -0.003 0.000 2.583 521 G HA2 0.559 4.522 3.960 0.005 0.000 0.280 521 G HA3 0.559 4.522 3.960 0.005 0.000 0.280 521 G C -2.636 172.264 174.900 0.000 0.000 1.376 521 G CA -1.219 43.880 45.100 -0.001 0.000 1.043 521 G HN 0.385 nan 8.290 nan 0.000 0.538 522 P HA 0.192 nan 4.420 nan 0.000 0.269 522 P C -0.469 176.831 177.300 0.001 0.000 1.215 522 P CA -0.236 62.860 63.100 -0.006 0.000 0.780 522 P CB 0.413 32.104 31.700 -0.014 0.000 0.898 523 E N 0.775 120.974 120.200 -0.003 0.000 2.376 523 E HA 0.082 4.435 4.350 0.005 0.000 0.266 523 E C -0.083 176.513 176.600 -0.007 0.000 1.009 523 E CA -0.404 55.997 56.400 0.001 0.000 0.902 523 E CB -0.439 29.262 29.700 0.001 0.000 0.972 523 E HN 0.491 nan 8.360 nan 0.000 0.439 524 C N 1.949 121.252 119.300 0.004 0.000 2.863 524 C HA 0.815 5.278 4.460 0.005 0.000 0.284 524 C C 0.593 175.568 174.990 -0.025 0.000 1.426 524 C CA -0.122 58.902 59.018 0.009 0.000 1.782 524 C CB -1.264 26.530 27.740 0.090 0.000 2.554 524 C HN 0.892 nan 8.230 nan 0.000 0.566 525 G N 0.780 109.551 108.800 -0.048 0.000 2.270 525 G HA2 0.499 4.462 3.960 0.005 0.000 0.295 525 G HA3 0.499 4.462 3.960 0.005 0.000 0.295 525 G C -0.956 173.893 174.900 -0.084 0.000 1.732 525 G CA 0.242 45.293 45.100 -0.082 0.000 0.909 525 G HN 0.899 nan 8.290 nan 0.000 0.730 526 T N -1.262 113.207 114.554 -0.142 0.000 2.982 526 T HA 0.786 5.139 4.350 0.005 0.000 0.321 526 T C -0.932 173.559 174.700 -0.348 0.000 1.229 526 T CA -0.976 60.988 62.100 -0.227 0.000 1.044 526 T CB 2.686 71.368 68.868 -0.309 0.000 1.184 526 T HN 0.820 nan 8.240 nan 0.000 0.477 527 K N 1.909 122.098 120.400 -0.351 0.000 2.535 527 K HA 0.534 4.857 4.320 0.005 0.000 0.251 527 K C -1.980 174.581 176.600 -0.065 0.000 0.942 527 K CA -0.871 55.264 56.287 -0.253 0.000 0.798 527 K CB 1.968 34.418 32.500 -0.084 0.000 1.267 527 K HN 0.859 nan 8.250 nan 0.000 0.434 528 Y N 4.861 125.191 120.300 0.050 0.000 2.329 528 Y HA 0.381 4.933 4.550 0.005 0.000 0.328 528 Y C -0.580 175.336 175.900 0.027 0.000 0.992 528 Y CA -1.269 56.863 58.100 0.054 0.000 1.151 528 Y CB 1.715 40.242 38.460 0.113 0.000 1.150 528 Y HN 0.198 nan 8.280 nan 0.000 0.450 529 L N 5.036 126.358 121.223 0.165 0.000 2.305 529 L HA 0.409 4.751 4.340 0.005 0.000 0.284 529 L C 0.245 177.145 176.870 0.049 0.000 1.013 529 L CA -0.483 54.408 54.840 0.084 0.000 0.819 529 L CB 1.829 43.920 42.059 0.054 0.000 1.227 529 L HN 0.769 nan 8.230 nan 0.000 0.417 530 L N 2.432 123.678 121.223 0.039 0.000 2.640 530 L HA 0.237 4.580 4.340 0.005 0.000 0.230 530 L C 0.335 177.203 176.870 -0.002 0.000 1.123 530 L CA 0.290 55.134 54.840 0.007 0.000 0.900 530 L CB 0.023 42.092 42.059 0.017 0.000 1.146 530 L HN 0.624 nan 8.230 nan 0.000 0.484 531 N N 0.740 119.444 118.700 0.006 0.000 2.672 531 N HA 0.244 4.987 4.740 0.005 0.000 0.295 531 N C -0.924 174.589 175.510 0.005 0.000 1.924 531 N CA -0.066 52.985 53.050 0.003 0.000 0.851 531 N CB 1.518 40.008 38.487 0.006 0.000 1.281 531 N HN 0.102 nan 8.380 nan 0.000 0.494 532 L N 1.056 122.280 121.223 0.000 0.000 2.319 532 L HA 0.289 4.632 4.340 0.005 0.000 0.280 532 L C -0.251 176.621 176.870 0.004 0.000 1.099 532 L CA -0.140 54.701 54.840 0.002 0.000 0.828 532 L CB 0.518 42.574 42.059 -0.004 0.000 1.150 532 L HN 0.099 nan 8.230 nan 0.000 0.442 533 N N 6.864 125.568 118.700 0.007 0.000 2.426 533 N HA 0.287 5.030 4.740 0.005 0.000 0.257 533 N C -0.773 174.744 175.510 0.012 0.000 1.002 533 N CA -0.267 52.789 53.050 0.010 0.000 0.942 533 N CB 1.741 40.231 38.487 0.005 0.000 1.112 533 N HN 0.534 nan 8.380 nan 0.000 0.499 534 L N 2.567 123.807 121.223 0.029 0.000 2.504 534 L HA 0.232 4.575 4.340 0.005 0.000 0.249 534 L C 0.538 177.427 176.870 0.033 0.000 1.120 534 L CA -0.629 54.231 54.840 0.033 0.000 0.997 534 L CB 0.309 42.400 42.059 0.052 0.000 1.349 534 L HN 0.211 nan 8.230 nan 0.000 0.439 535 E N 2.125 122.330 120.200 0.008 0.000 2.492 535 E HA 0.001 4.354 4.350 0.005 0.000 0.266 535 E C -2.142 174.448 176.600 -0.017 0.000 1.047 535 E CA -1.258 55.138 56.400 -0.007 0.000 0.968 535 E CB 0.040 29.743 29.700 0.005 0.000 0.960 535 E HN 0.199 nan 8.360 nan 0.000 0.452 536 P HA -0.098 nan 4.420 nan 0.000 0.266 536 P C -0.174 177.113 177.300 -0.023 0.000 1.193 536 P CA 0.255 63.258 63.100 -0.162 0.000 0.770 536 P CB 0.028 31.622 31.700 -0.178 0.000 0.836 537 F N -1.195 118.772 119.950 0.028 0.000 2.978 537 F HA -0.283 4.247 4.527 0.005 0.000 0.248 537 F C 0.636 176.447 175.800 0.019 0.000 0.994 537 F CA 0.396 58.411 58.000 0.024 0.000 0.849 537 F CB -1.763 37.247 39.000 0.017 0.000 0.737 537 F HN 0.182 nan 8.300 nan 0.000 0.800 538 S N -1.299 114.485 115.700 0.140 0.000 2.810 538 S HA 0.738 5.211 4.470 0.005 0.000 0.315 538 S C -0.458 174.168 174.600 0.043 0.000 1.138 538 S CA -1.062 57.190 58.200 0.087 0.000 0.889 538 S CB 2.588 65.821 63.200 0.055 0.000 1.236 538 S HN 0.232 nan 8.310 nan 0.000 0.548 539 E N 0.415 120.618 120.200 0.004 0.000 2.292 539 E HA 0.521 4.873 4.350 0.005 0.000 0.272 539 E C -1.400 175.120 176.600 -0.132 0.000 0.881 539 E CA -0.723 55.625 56.400 -0.087 0.000 0.754 539 E CB 2.055 31.722 29.700 -0.054 0.000 1.201 539 E HN 0.199 nan 8.360 nan 0.000 0.425 540 K N 0.887 121.162 120.400 -0.208 0.000 2.259 540 K HA 0.502 4.825 4.320 0.005 0.000 0.252 540 K C -1.349 175.136 176.600 -0.191 0.000 0.936 540 K CA -0.580 55.626 56.287 -0.135 0.000 0.810 540 K CB 2.077 34.535 32.500 -0.070 0.000 1.143 540 K HN 0.303 nan 8.250 nan 0.000 0.427 541 S N 3.038 118.713 115.700 -0.042 0.000 2.640 541 S HA 0.504 4.976 4.470 0.005 0.000 0.320 541 S C -1.452 173.246 174.600 0.164 0.000 1.097 541 S CA -0.643 57.609 58.200 0.087 0.000 1.092 541 S CB 0.577 63.866 63.200 0.149 0.000 0.988 541 S HN 0.330 nan 8.310 nan 0.000 0.470 542 V N 7.777 127.795 119.914 0.174 0.000 2.370 542 V HA 0.459 4.582 4.120 0.005 0.000 0.283 542 V C -2.299 173.886 176.094 0.150 0.000 1.023 542 V CA -1.976 60.409 62.300 0.140 0.000 0.857 542 V CB 1.308 33.178 31.823 0.078 0.000 0.985 542 V HN 0.646 nan 8.190 nan 0.000 0.443 543 P HA 0.447 nan 4.420 nan 0.000 0.277 543 P C -1.060 176.144 177.300 -0.159 0.000 1.240 543 P CA -0.474 62.550 63.100 -0.127 0.000 0.798 543 P CB 0.933 32.604 31.700 -0.049 0.000 0.979 544 L N 3.309 124.367 121.223 -0.274 0.000 2.504 544 L HA 0.375 4.718 4.340 0.005 0.000 0.265 544 L C -1.271 175.451 176.870 -0.247 0.000 0.975 544 L CA -0.703 54.020 54.840 -0.196 0.000 0.864 544 L CB 0.897 42.872 42.059 -0.139 0.000 1.212 544 L HN 0.388 nan 8.230 nan 0.000 0.416 545 C N 6.695 125.869 119.300 -0.209 0.000 2.442 545 C HA 0.492 4.955 4.460 0.005 0.000 0.362 545 C C 0.461 175.288 174.990 -0.272 0.000 1.242 545 C CA -0.635 58.242 59.018 -0.235 0.000 1.741 545 C CB -1.366 26.276 27.740 -0.163 0.000 2.378 545 C HN 0.673 nan 8.230 nan 0.000 0.549 546 I N 8.234 128.528 120.570 -0.460 0.000 2.291 546 I HA 0.236 4.408 4.170 0.005 0.000 0.290 546 I C 0.021 175.904 176.117 -0.390 0.000 1.050 546 I CA 0.053 61.061 61.300 -0.487 0.000 1.245 546 I CB 0.481 37.968 38.000 -0.855 0.000 1.405 546 I HN 0.489 nan 8.210 nan 0.000 0.478 547 L N 5.894 127.024 121.223 -0.154 0.000 2.350 547 L HA 0.165 4.508 4.340 0.005 0.000 0.275 547 L C 0.999 177.769 176.870 -0.166 0.000 1.099 547 L CA -0.418 54.359 54.840 -0.104 0.000 0.808 547 L CB 0.724 42.716 42.059 -0.112 0.000 1.149 547 L HN 0.529 nan 8.230 nan 0.000 0.442 548 Y N 1.695 121.791 120.300 -0.340 0.000 2.145 548 Y HA -0.264 4.289 4.550 0.005 0.000 0.286 548 Y C 2.227 177.714 175.900 -0.688 0.000 1.145 548 Y CA 1.888 59.499 58.100 -0.815 0.000 1.148 548 Y CB 0.084 38.332 38.460 -0.354 0.000 0.981 548 Y HN 0.705 nan 8.280 nan 0.000 0.507 549 E N 0.621 120.587 120.200 -0.391 0.000 2.273 549 E HA -0.189 4.164 4.350 0.005 0.000 0.198 549 E C 1.420 177.789 176.600 -0.385 0.000 1.002 549 E CA 1.528 57.703 56.400 -0.376 0.000 0.828 549 E CB -0.147 29.462 29.700 -0.152 0.000 0.747 549 E HN 0.516 nan 8.360 nan 0.000 0.491 550 K N -1.199 118.991 120.400 -0.351 0.000 2.358 550 K HA 0.040 4.363 4.320 0.005 0.000 0.200 550 K C 0.358 176.871 176.600 -0.145 0.000 1.030 550 K CA 0.231 56.389 56.287 -0.216 0.000 1.097 550 K CB 0.609 33.034 32.500 -0.125 0.000 0.862 550 K HN 0.291 nan 8.250 nan 0.000 0.534 551 Y N -1.501 118.693 120.300 -0.176 0.000 2.540 551 Y HA 0.217 4.770 4.550 0.005 0.000 0.257 551 Y C 1.551 177.359 175.900 -0.154 0.000 1.090 551 Y CA -0.830 57.197 58.100 -0.120 0.000 1.242 551 Y CB -0.304 38.126 38.460 -0.050 0.000 1.325 551 Y HN -0.155 nan 8.280 nan 0.000 0.544 552 R N 0.738 120.903 120.500 -0.559 0.000 2.096 552 R HA -0.129 4.214 4.340 0.005 0.000 0.235 552 R C 0.852 177.037 176.300 -0.191 0.000 1.127 552 R CA 2.029 57.835 56.100 -0.490 0.000 0.968 552 R CB -0.656 28.959 30.300 -1.142 0.000 0.861 552 R HN 0.196 nan 8.270 nan 0.000 0.440 553 D N 0.787 121.079 120.400 -0.181 0.000 2.117 553 D HA -0.086 4.557 4.640 0.005 0.000 0.197 553 D C 0.694 176.969 176.300 -0.042 0.000 0.987 553 D CA 1.262 55.202 54.000 -0.100 0.000 0.829 553 D CB -0.039 40.701 40.800 -0.100 0.000 0.961 553 D HN 0.311 nan 8.370 nan 0.000 0.460 554 C N 1.192 120.485 119.300 -0.012 0.000 2.395 554 C HA 0.398 4.861 4.460 0.005 0.000 0.315 554 C C 0.389 175.407 174.990 0.046 0.000 1.399 554 C CA -0.909 58.115 59.018 0.009 0.000 1.788 554 C CB -1.256 26.484 27.740 0.001 0.000 2.564 554 C HN 0.121 nan 8.230 nan 0.000 0.552 555 L N 2.173 123.443 121.223 0.078 0.000 2.334 555 L HA 0.509 4.852 4.340 0.005 0.000 0.277 555 L C 0.894 177.819 176.870 0.091 0.000 1.075 555 L CA 0.597 55.499 54.840 0.104 0.000 0.804 555 L CB 1.248 43.410 42.059 0.171 0.000 1.174 555 L HN 0.402 nan 8.230 nan 0.000 0.438 556 T N -0.266 114.350 114.554 0.103 0.000 2.847 556 T HA 0.263 4.616 4.350 0.005 0.000 0.279 556 T C 0.836 175.625 174.700 0.148 0.000 0.984 556 T CA -0.555 61.626 62.100 0.135 0.000 0.988 556 T CB 0.822 69.792 68.868 0.170 0.000 1.040 556 T HN 0.635 nan 8.240 nan 0.000 0.528 557 E N 0.082 120.388 120.200 0.177 0.000 2.396 557 E HA -0.045 4.308 4.350 0.005 0.000 0.200 557 E C 1.714 178.408 176.600 0.157 0.000 1.023 557 E CA 0.637 57.131 56.400 0.157 0.000 0.857 557 E CB -0.197 29.602 29.700 0.166 0.000 0.775 557 E HN 0.571 nan 8.360 nan 0.000 0.525 558 S N 0.525 116.338 115.700 0.188 0.000 2.593 558 S HA 0.011 4.484 4.470 0.005 0.000 0.217 558 S C -0.104 174.655 174.600 0.265 0.000 0.966 558 S CA -0.151 58.188 58.200 0.233 0.000 0.914 558 S CB -0.086 63.278 63.200 0.273 0.000 0.776 558 S HN 0.320 nan 8.310 nan 0.000 0.523 559 N N 1.623 120.402 118.700 0.131 0.000 2.699 559 N HA -0.164 4.578 4.740 0.005 0.000 0.256 559 N C -1.067 174.441 175.510 -0.002 0.000 0.993 559 N CA 0.665 53.704 53.050 -0.018 0.000 0.759 559 N CB -1.664 36.666 38.487 -0.262 0.000 0.906 559 N HN 0.448 nan 8.380 nan 0.000 0.541 560 L N 0.099 121.373 121.223 0.085 0.000 2.329 560 L HA 0.629 4.972 4.340 0.005 0.000 0.279 560 L C 0.445 177.331 176.870 0.028 0.000 1.014 560 L CA -0.625 54.276 54.840 0.102 0.000 0.814 560 L CB 1.539 43.705 42.059 0.178 0.000 1.257 560 L HN 0.053 nan 8.230 nan 0.000 0.424 561 I N 3.101 123.677 120.570 0.010 0.000 2.534 561 I HA 0.303 4.476 4.170 0.005 0.000 0.288 561 I C -0.524 175.613 176.117 0.034 0.000 1.077 561 I CA -0.612 60.687 61.300 -0.002 0.000 1.051 561 I CB 2.440 40.410 38.000 -0.049 0.000 1.234 561 I HN 0.550 nan 8.210 nan 0.000 0.425 562 K N 6.209 126.631 120.400 0.036 0.000 2.234 562 K HA 0.601 4.924 4.320 0.005 0.000 0.277 562 K C -1.263 175.363 176.600 0.044 0.000 1.038 562 K CA -0.435 55.879 56.287 0.044 0.000 0.888 562 K CB 1.473 33.994 32.500 0.034 0.000 1.091 562 K HN 0.390 nan 8.250 nan 0.000 0.467 563 V N 4.982 124.928 119.914 0.053 0.000 2.472 563 V HA 0.456 4.579 4.120 0.005 0.000 0.290 563 V C -0.024 176.105 176.094 0.058 0.000 1.037 563 V CA -0.728 61.605 62.300 0.055 0.000 0.908 563 V CB 1.354 33.214 31.823 0.062 0.000 0.985 563 V HN 0.782 nan 8.190 nan 0.000 0.454 564 R N 2.846 123.385 120.500 0.065 0.000 2.686 564 R HA 0.824 5.167 4.340 0.005 0.000 0.283 564 R C -1.209 175.142 176.300 0.084 0.000 0.978 564 R CA -0.452 55.688 56.100 0.068 0.000 0.897 564 R CB 2.082 32.421 30.300 0.066 0.000 1.192 564 R HN 0.835 nan 8.270 nan 0.000 0.457 565 A N 3.973 126.836 122.820 0.071 0.000 2.455 565 A HA 0.568 4.891 4.320 0.005 0.000 0.300 565 A C -1.991 175.620 177.584 0.045 0.000 1.040 565 A CA -0.634 51.445 52.037 0.069 0.000 0.697 565 A CB 1.729 20.768 19.000 0.066 0.000 1.265 565 A HN 0.515 nan 8.150 nan 0.000 0.407 566 L N 2.473 123.713 121.223 0.027 0.000 2.349 566 L HA 0.747 5.090 4.340 0.005 0.000 0.278 566 L C -1.568 175.281 176.870 -0.036 0.000 0.996 566 L CA -0.659 54.183 54.840 0.004 0.000 0.825 566 L CB 1.604 43.659 42.059 -0.005 0.000 1.243 566 L HN 0.647 nan 8.230 nan 0.000 0.412 567 L N 6.434 127.629 121.223 -0.047 0.000 2.280 567 L HA 0.643 4.986 4.340 0.005 0.000 0.287 567 L C -1.049 175.719 176.870 -0.171 0.000 1.023 567 L CA -0.203 54.578 54.840 -0.097 0.000 0.819 567 L CB 1.555 43.559 42.059 -0.092 0.000 1.212 567 L HN 0.405 nan 8.230 nan 0.000 0.420 568 V N 4.332 124.114 119.914 -0.220 0.000 2.435 568 V HA 0.523 4.646 4.120 0.005 0.000 0.290 568 V C -0.178 175.724 176.094 -0.320 0.000 1.030 568 V CA -0.687 61.386 62.300 -0.377 0.000 0.881 568 V CB 1.643 33.252 31.823 -0.358 0.000 0.983 568 V HN 0.634 nan 8.190 nan 0.000 0.445 569 E N 7.504 127.472 120.200 -0.387 0.000 2.183 569 E HA 0.327 4.680 4.350 0.005 0.000 0.250 569 E C -1.890 174.568 176.600 -0.237 0.000 0.901 569 E CA -2.419 53.824 56.400 -0.262 0.000 0.741 569 E CB 2.001 31.529 29.700 -0.287 0.000 1.182 569 E HN 0.357 nan 8.360 nan 0.000 0.425 570 P HA -0.233 nan 4.420 nan 0.000 0.214 570 P C 1.441 178.695 177.300 -0.076 0.000 1.169 570 P CA 1.017 64.046 63.100 -0.119 0.000 0.908 570 P CB 0.253 31.911 31.700 -0.070 0.000 0.791 571 V N 2.575 122.469 119.914 -0.034 0.000 2.277 571 V HA -0.275 3.848 4.120 0.005 0.000 0.239 571 V C 2.680 178.767 176.094 -0.012 0.000 1.006 571 V CA 2.786 65.083 62.300 -0.006 0.000 1.018 571 V CB -1.780 30.061 31.823 0.030 0.000 0.665 571 V HN 0.107 nan 8.190 nan 0.000 0.488 572 I N -0.176 120.393 120.570 -0.001 0.000 3.164 572 I HA -0.013 4.159 4.170 0.005 0.000 0.278 572 I C 0.963 177.042 176.117 -0.063 0.000 1.320 572 I CA 1.050 62.346 61.300 -0.007 0.000 1.422 572 I CB -1.541 36.467 38.000 0.013 0.000 1.066 572 I HN 0.688 nan 8.210 nan 0.000 0.503 573 N N 1.760 120.387 118.700 -0.123 0.000 2.642 573 N HA -0.194 4.549 4.740 0.005 0.000 0.269 573 N C -0.954 174.329 175.510 -0.378 0.000 1.073 573 N CA 0.838 53.749 53.050 -0.232 0.000 0.748 573 N CB -0.825 37.594 38.487 -0.113 0.000 0.894 573 N HN 0.551 nan 8.380 nan 0.000 0.548 574 S N 1.686 117.124 115.700 -0.436 0.000 2.472 574 S HA 0.525 4.998 4.470 0.005 0.000 0.303 574 S C -0.945 173.305 174.600 -0.583 0.000 1.099 574 S CA -0.460 57.514 58.200 -0.378 0.000 1.077 574 S CB 0.775 63.834 63.200 -0.234 0.000 1.031 574 S HN 0.314 nan 8.310 nan 0.000 0.487 575 Y N 1.912 122.126 120.300 -0.143 0.000 2.335 575 Y HA 0.625 5.177 4.550 0.005 0.000 0.338 575 Y C -0.399 175.448 175.900 -0.087 0.000 0.977 575 Y CA -0.924 57.112 58.100 -0.107 0.000 1.114 575 Y CB 1.091 39.506 38.460 -0.075 0.000 1.182 575 Y HN 0.421 nan 8.280 nan 0.000 0.463 576 L N 4.857 126.085 121.223 0.008 0.000 2.343 576 L HA 0.539 4.882 4.340 0.005 0.000 0.278 576 L C -1.390 175.488 176.870 0.013 0.000 0.996 576 L CA -0.566 54.269 54.840 -0.009 0.000 0.831 576 L CB 1.185 43.210 42.059 -0.057 0.000 1.232 576 L HN 0.669 nan 8.230 nan 0.000 0.413 577 L N 4.329 125.563 121.223 0.018 0.000 2.325 577 L HA 0.925 5.268 4.340 0.005 0.000 0.278 577 L C -0.702 176.180 176.870 0.020 0.000 1.023 577 L CA -0.569 54.284 54.840 0.021 0.000 0.811 577 L CB 1.766 43.833 42.059 0.014 0.000 1.249 577 L HN 0.793 nan 8.230 nan 0.000 0.431 578 A N 4.418 127.256 122.820 0.029 0.000 2.456 578 A HA 0.630 4.953 4.320 0.005 0.000 0.288 578 A C -1.267 176.343 177.584 0.044 0.000 1.042 578 A CA -0.577 51.483 52.037 0.038 0.000 0.738 578 A CB 1.340 20.367 19.000 0.046 0.000 1.266 578 A HN 0.756 nan 8.150 nan 0.000 0.407 579 E N 0.675 120.901 120.200 0.043 0.000 2.369 579 E HA 0.751 5.104 4.350 0.005 0.000 0.270 579 E C -0.718 175.916 176.600 0.056 0.000 0.909 579 E CA -0.933 55.495 56.400 0.046 0.000 0.775 579 E CB 2.971 32.688 29.700 0.029 0.000 1.270 579 E HN 0.613 nan 8.360 nan 0.000 0.445 580 R N 1.265 121.803 120.500 0.062 0.000 2.604 580 R HA 0.202 4.545 4.340 0.005 0.000 0.270 580 R C -1.772 174.573 176.300 0.076 0.000 1.052 580 R CA -0.552 55.591 56.100 0.072 0.000 0.902 580 R CB 1.377 31.721 30.300 0.072 0.000 1.233 580 R HN 0.467 nan 8.270 nan 0.000 0.455 581 D N 4.654 125.110 120.400 0.094 0.000 2.329 581 D HA 0.231 4.874 4.640 0.005 0.000 0.232 581 D C -0.360 176.005 176.300 0.107 0.000 1.088 581 D CA -0.386 53.679 54.000 0.108 0.000 0.835 581 D CB 1.632 42.522 40.800 0.150 0.000 1.078 581 D HN 0.111 nan 8.370 nan 0.000 0.495 582 L N 2.154 123.420 121.223 0.072 0.000 2.379 582 L HA 0.295 4.637 4.340 0.005 0.000 0.269 582 L C -0.375 176.525 176.870 0.049 0.000 1.084 582 L CA -0.799 54.050 54.840 0.016 0.000 0.802 582 L CB 0.281 42.310 42.059 -0.050 0.000 1.175 582 L HN 0.330 nan 8.230 nan 0.000 0.448 583 Y N 2.751 122.964 120.300 -0.143 0.000 2.326 583 Y HA 0.511 5.064 4.550 0.005 0.000 0.331 583 Y C -0.840 174.910 175.900 -0.249 0.000 0.962 583 Y CA -0.892 57.145 58.100 -0.105 0.000 1.167 583 Y CB 0.961 39.448 38.460 0.045 0.000 1.148 583 Y HN 0.402 nan 8.280 nan 0.000 0.463 584 L N 5.708 126.444 121.223 -0.811 0.000 2.369 584 L HA 0.202 4.544 4.340 0.005 0.000 0.279 584 L C 0.225 176.548 176.870 -0.911 0.000 1.108 584 L CA -0.343 54.058 54.840 -0.731 0.000 0.852 584 L CB 0.479 42.262 42.059 -0.460 0.000 1.169 584 L HN 0.635 nan 8.230 nan 0.000 0.452 585 E N 3.635 123.498 120.200 -0.562 0.000 2.417 585 E HA 0.011 4.364 4.350 0.005 0.000 0.261 585 E C -0.175 176.343 176.600 -0.137 0.000 1.000 585 E CA 0.115 56.382 56.400 -0.223 0.000 0.919 585 E CB 0.380 30.051 29.700 -0.048 0.000 0.955 585 E HN 0.346 nan 8.360 nan 0.000 0.455 586 N N 4.501 123.187 118.700 -0.022 0.000 2.424 586 N HA 0.274 5.017 4.740 0.005 0.000 0.257 586 N C -2.354 173.164 175.510 0.014 0.000 1.250 586 N CA -1.335 51.721 53.050 0.009 0.000 0.946 586 N CB 0.313 38.844 38.487 0.074 0.000 1.175 586 N HN 0.440 nan 8.380 nan 0.000 0.477 587 P HA 0.083 nan 4.420 nan 0.000 0.275 587 P C -0.201 177.089 177.300 -0.016 0.000 1.227 587 P CA -0.125 62.958 63.100 -0.027 0.000 0.781 587 P CB 1.051 32.713 31.700 -0.063 0.000 0.906 588 E N 2.044 122.233 120.200 -0.019 0.000 2.410 588 E HA 0.187 4.540 4.350 0.005 0.000 0.255 588 E C -0.501 176.082 176.600 -0.027 0.000 1.194 588 E CA -0.401 55.987 56.400 -0.019 0.000 0.955 588 E CB 0.388 30.069 29.700 -0.031 0.000 0.988 588 E HN 0.397 nan 8.360 nan 0.000 0.461 589 I N 3.296 123.853 120.570 -0.022 0.000 2.411 589 I HA 0.197 4.370 4.170 0.005 0.000 0.284 589 I C -0.273 175.815 176.117 -0.049 0.000 1.012 589 I CA -0.591 60.707 61.300 -0.003 0.000 1.119 589 I CB 1.417 39.459 38.000 0.071 0.000 1.261 589 I HN 0.306 nan 8.210 nan 0.000 0.448 590 K N 7.078 127.442 120.400 -0.060 0.000 2.368 590 K HA 0.527 4.850 4.320 0.005 0.000 0.282 590 K C -0.665 175.876 176.600 -0.099 0.000 1.035 590 K CA 0.025 56.263 56.287 -0.080 0.000 0.973 590 K CB 1.210 33.667 32.500 -0.071 0.000 0.957 590 K HN 0.497 nan 8.250 nan 0.000 0.474 591 I N 3.571 124.080 120.570 -0.101 0.000 2.478 591 I HA 0.312 4.485 4.170 0.005 0.000 0.287 591 I C -0.332 175.735 176.117 -0.083 0.000 1.042 591 I CA -0.759 60.480 61.300 -0.101 0.000 1.067 591 I CB 1.758 39.698 38.000 -0.099 0.000 1.233 591 I HN 0.415 nan 8.210 nan 0.000 0.431 592 R N 6.383 126.837 120.500 -0.077 0.000 2.599 592 R HA 0.608 4.951 4.340 0.005 0.000 0.295 592 R C -1.070 175.201 176.300 -0.048 0.000 0.963 592 R CA -1.019 55.046 56.100 -0.058 0.000 0.883 592 R CB 2.672 32.938 30.300 -0.055 0.000 1.171 592 R HN 0.412 nan 8.270 nan 0.000 0.450 593 I N 5.389 125.939 120.570 -0.034 0.000 2.307 593 I HA 0.242 4.415 4.170 0.005 0.000 0.287 593 I C 0.158 176.264 176.117 -0.019 0.000 1.054 593 I CA -0.471 60.816 61.300 -0.022 0.000 1.218 593 I CB 0.629 38.624 38.000 -0.009 0.000 1.398 593 I HN 0.421 nan 8.210 nan 0.000 0.475 594 L N 5.723 126.933 121.223 -0.022 0.000 2.326 594 L HA 0.724 5.067 4.340 0.005 0.000 0.278 594 L C 1.021 177.885 176.870 -0.011 0.000 1.092 594 L CA -0.116 54.713 54.840 -0.018 0.000 0.810 594 L CB 0.777 42.823 42.059 -0.022 0.000 1.153 594 L HN 0.837 nan 8.230 nan 0.000 0.439 595 G N 2.941 111.735 108.800 -0.009 0.000 2.698 595 G HA2 -0.172 3.791 3.960 0.005 0.000 0.225 595 G HA3 -0.172 3.791 3.960 0.005 0.000 0.225 595 G C -0.755 174.144 174.900 -0.001 0.000 1.345 595 G CA -0.726 44.371 45.100 -0.005 0.000 0.871 595 G HN 0.656 nan 8.290 nan 0.000 0.540 596 E N 0.941 121.142 120.200 0.002 0.000 2.146 596 E HA 0.417 4.770 4.350 0.005 0.000 0.282 596 E C -2.346 174.260 176.600 0.011 0.000 0.989 596 E CA -1.624 54.779 56.400 0.006 0.000 0.799 596 E CB 1.573 31.276 29.700 0.005 0.000 1.088 596 E HN 0.201 nan 8.360 nan 0.000 0.397 597 P HA 0.044 nan 4.420 nan 0.000 0.249 597 P C -1.005 176.313 177.300 0.030 0.000 1.737 597 P CA 0.280 63.396 63.100 0.028 0.000 1.128 597 P CB 0.076 31.795 31.700 0.032 0.000 1.942 598 K N 1.277 121.693 120.400 0.026 0.000 2.156 598 K HA 0.314 4.637 4.320 0.005 0.000 0.250 598 K C 0.169 176.787 176.600 0.030 0.000 0.955 598 K CA -0.958 55.344 56.287 0.024 0.000 0.855 598 K CB 1.620 34.128 32.500 0.014 0.000 1.101 598 K HN 0.240 nan 8.250 nan 0.000 0.434 599 Q N 2.011 121.829 119.800 0.029 0.000 2.421 599 Q HA -0.048 4.294 4.340 0.005 0.000 0.255 599 Q C -0.345 175.661 176.000 0.011 0.000 1.013 599 Q CA 0.133 55.953 55.803 0.028 0.000 0.895 599 Q CB 0.543 29.295 28.738 0.022 0.000 1.271 599 Q HN 0.351 nan 8.270 nan 0.000 0.460 600 K N 2.088 122.490 120.400 0.003 0.000 3.777 600 K HA -0.254 4.069 4.320 0.005 0.000 0.276 600 K C -1.652 174.948 176.600 0.000 0.000 0.877 600 K CA 1.053 57.336 56.287 -0.005 0.000 0.724 600 K CB -0.675 31.815 32.500 -0.016 0.000 1.589 600 K HN 0.715 nan 8.250 nan 0.000 0.444 601 R N 0.792 121.296 120.500 0.006 0.000 2.629 601 R HA 0.307 4.650 4.340 0.005 0.000 0.266 601 R C -0.986 175.318 176.300 0.006 0.000 1.051 601 R CA -0.805 55.298 56.100 0.005 0.000 0.895 601 R CB 0.924 31.228 30.300 0.007 0.000 1.246 601 R HN 0.249 nan 8.270 nan 0.000 0.459 602 K N 1.822 122.224 120.400 0.004 0.000 2.397 602 K HA 0.306 4.629 4.320 0.005 0.000 0.265 602 K C -1.119 175.483 176.600 0.004 0.000 0.982 602 K CA -0.032 56.257 56.287 0.003 0.000 0.931 602 K CB 0.389 32.889 32.500 0.000 0.000 0.943 602 K HN 0.376 nan 8.250 nan 0.000 0.501 603 L N 2.595 123.819 121.223 0.002 0.000 2.545 603 L HA 0.396 4.738 4.340 0.005 0.000 0.258 603 L C -1.872 174.995 176.870 -0.005 0.000 0.942 603 L CA -0.572 54.269 54.840 0.002 0.000 0.855 603 L CB 2.068 44.132 42.059 0.009 0.000 1.374 603 L HN 0.389 nan 8.230 nan 0.000 0.411 604 V N 2.951 122.859 119.914 -0.010 0.000 2.604 604 V HA 0.947 5.070 4.120 0.005 0.000 0.305 604 V C -0.264 175.813 176.094 -0.029 0.000 1.043 604 V CA -0.228 62.060 62.300 -0.020 0.000 0.888 604 V CB 1.717 33.527 31.823 -0.021 0.000 0.995 604 V HN 1.008 nan 8.190 nan 0.000 0.429 605 A N 3.281 126.076 122.820 -0.042 0.000 2.311 605 A HA 0.705 5.028 4.320 0.005 0.000 0.306 605 A C -0.441 177.087 177.584 -0.094 0.000 1.189 605 A CA -0.521 51.481 52.037 -0.059 0.000 0.791 605 A CB 0.860 19.828 19.000 -0.054 0.000 1.172 605 A HN 0.865 nan 8.150 nan 0.000 0.481 606 E N 2.290 122.429 120.200 -0.101 0.000 2.146 606 E HA 0.512 4.865 4.350 0.005 0.000 0.282 606 E C -0.834 175.654 176.600 -0.187 0.000 0.989 606 E CA -0.548 55.772 56.400 -0.133 0.000 0.799 606 E CB 1.127 30.769 29.700 -0.095 0.000 1.088 606 E HN 0.631 nan 8.360 nan 0.000 0.397 607 V N 2.000 121.728 119.914 -0.310 0.000 2.540 607 V HA 0.704 4.827 4.120 0.005 0.000 0.302 607 V C -0.248 175.586 176.094 -0.433 0.000 1.035 607 V CA -0.672 61.377 62.300 -0.419 0.000 0.873 607 V CB 1.125 32.535 31.823 -0.687 0.000 0.992 607 V HN 0.655 nan 8.190 nan 0.000 0.428 608 S N 5.635 121.210 115.700 -0.208 0.000 2.677 608 S HA 0.949 5.422 4.470 0.005 0.000 0.304 608 S C -1.038 173.571 174.600 0.015 0.000 1.108 608 S CA -0.824 57.330 58.200 -0.077 0.000 0.944 608 S CB 2.280 65.441 63.200 -0.065 0.000 1.127 608 S HN 1.516 nan 8.310 nan 0.000 0.511 609 L N 0.951 122.176 121.223 0.003 0.000 2.545 609 L HA 0.522 4.864 4.340 0.005 0.000 0.258 609 L C -1.783 175.005 176.870 -0.136 0.000 0.942 609 L CA -0.137 54.636 54.840 -0.112 0.000 0.855 609 L CB 1.903 43.750 42.059 -0.352 0.000 1.374 609 L HN 1.127 nan 8.230 nan 0.000 0.411 610 Q N 3.419 123.142 119.800 -0.129 0.000 2.381 610 Q HA 0.271 4.613 4.340 0.005 0.000 0.263 610 Q C -0.548 175.390 176.000 -0.104 0.000 1.030 610 Q CA -0.592 55.153 55.803 -0.097 0.000 0.772 610 Q CB 0.953 29.652 28.738 -0.066 0.000 1.232 610 Q HN 0.670 nan 8.270 nan 0.000 0.476 611 N N 5.760 124.399 118.700 -0.101 0.000 2.256 611 N HA -0.096 4.647 4.740 0.005 0.000 0.277 611 N C -1.801 173.666 175.510 -0.070 0.000 1.362 611 N CA -0.445 52.559 53.050 -0.076 0.000 0.861 611 N CB 0.852 39.315 38.487 -0.040 0.000 1.136 611 N HN 0.475 nan 8.380 nan 0.000 0.492 612 P HA 0.001 nan 4.420 nan 0.000 0.245 612 P C 0.278 177.495 177.300 -0.139 0.000 1.203 612 P CA 0.383 63.429 63.100 -0.090 0.000 0.792 612 P CB 0.488 32.141 31.700 -0.077 0.000 0.997 613 L N 0.550 121.686 121.223 -0.146 0.000 2.472 613 L HA 0.154 4.497 4.340 0.005 0.000 0.260 613 L C -1.227 175.524 176.870 -0.198 0.000 1.209 613 L CA -1.628 53.061 54.840 -0.252 0.000 0.817 613 L CB -0.193 41.776 42.059 -0.150 0.000 1.106 613 L HN -0.230 nan 8.230 nan 0.000 0.479 614 P HA 0.005 nan 4.420 nan 0.000 0.245 614 P C -0.267 177.003 177.300 -0.049 0.000 1.203 614 P CA 0.296 63.323 63.100 -0.121 0.000 0.792 614 P CB 0.344 31.976 31.700 -0.114 0.000 0.997 615 V N -4.203 115.693 119.914 -0.030 0.000 2.994 615 V HA 0.865 4.988 4.120 0.005 0.000 0.318 615 V C 0.132 176.230 176.094 0.007 0.000 1.085 615 V CA -1.741 60.566 62.300 0.010 0.000 0.998 615 V CB 1.086 32.941 31.823 0.052 0.000 1.063 615 V HN -0.031 nan 8.190 nan 0.000 0.447 616 A N 2.042 124.870 122.820 0.013 0.000 2.346 616 A HA 0.678 5.000 4.320 0.005 0.000 0.255 616 A C -0.483 177.118 177.584 0.029 0.000 1.113 616 A CA -0.208 51.838 52.037 0.016 0.000 0.798 616 A CB 0.086 19.094 19.000 0.015 0.000 1.073 616 A HN 0.961 nan 8.150 nan 0.000 0.502 617 L N 0.254 121.501 121.223 0.039 0.000 2.356 617 L HA 0.510 4.853 4.340 0.005 0.000 0.277 617 L C -0.135 176.761 176.870 0.044 0.000 0.996 617 L CA 0.207 55.081 54.840 0.058 0.000 0.822 617 L CB 1.654 43.778 42.059 0.108 0.000 1.256 617 L HN 0.872 nan 8.230 nan 0.000 0.413 618 E N 1.389 121.601 120.200 0.020 0.000 2.244 618 E HA 0.627 4.980 4.350 0.005 0.000 0.266 618 E C 0.157 176.740 176.600 -0.027 0.000 0.914 618 E CA -0.264 56.138 56.400 0.003 0.000 0.794 618 E CB 1.640 31.339 29.700 -0.001 0.000 1.210 618 E HN 0.760 nan 8.360 nan 0.000 0.414 619 G N 1.654 110.436 108.800 -0.029 0.000 2.323 619 G HA2 -0.291 3.672 3.960 0.005 0.000 0.292 619 G HA3 -0.291 3.672 3.960 0.005 0.000 0.292 619 G C 0.034 174.861 174.900 -0.123 0.000 1.040 619 G CA 0.044 45.108 45.100 -0.060 0.000 0.942 619 G HN 0.516 nan 8.290 nan 0.000 0.506 620 C N 0.594 119.835 119.300 -0.098 0.000 2.632 620 C HA 0.617 5.080 4.460 0.005 0.000 0.415 620 C C 0.995 175.844 174.990 -0.235 0.000 1.332 620 C CA 0.134 59.021 59.018 -0.217 0.000 1.874 620 C CB 0.063 27.858 27.740 0.091 0.000 2.596 620 C HN 0.612 nan 8.230 nan 0.000 0.590 621 T N 3.359 117.614 114.554 -0.498 0.000 2.886 621 T HA 0.517 4.870 4.350 0.005 0.000 0.292 621 T C -0.890 173.617 174.700 -0.322 0.000 1.012 621 T CA -0.175 61.759 62.100 -0.277 0.000 0.982 621 T CB 0.852 69.591 68.868 -0.215 0.000 1.018 621 T HN 0.346 nan 8.240 nan 0.000 0.451 622 F N 1.956 121.920 119.950 0.023 0.000 2.458 622 F HA 0.590 5.120 4.527 0.005 0.000 0.336 622 F C 0.653 176.467 175.800 0.024 0.000 1.114 622 F CA -0.453 57.600 58.000 0.088 0.000 0.987 622 F CB 2.005 41.083 39.000 0.129 0.000 1.130 622 F HN 0.405 nan 8.300 nan 0.000 0.458 623 T N 3.425 118.118 114.554 0.232 0.000 2.848 623 T HA 0.685 5.037 4.350 0.005 0.000 0.285 623 T C -0.963 173.802 174.700 0.108 0.000 0.995 623 T CA -0.655 61.512 62.100 0.112 0.000 0.970 623 T CB 1.797 70.682 68.868 0.027 0.000 0.976 623 T HN 0.230 nan 8.240 nan 0.000 0.441 624 V N 2.394 122.347 119.914 0.066 0.000 2.823 624 V HA 0.761 4.884 4.120 0.005 0.000 0.312 624 V C -0.254 175.845 176.094 0.008 0.000 1.072 624 V CA -0.702 61.623 62.300 0.041 0.000 0.937 624 V CB 2.134 33.977 31.823 0.033 0.000 1.013 624 V HN 0.971 nan 8.190 nan 0.000 0.430 625 E N 1.402 121.596 120.200 -0.010 0.000 2.445 625 E HA 0.739 5.092 4.350 0.005 0.000 0.279 625 E C -0.822 175.754 176.600 -0.040 0.000 1.018 625 E CA -0.338 56.041 56.400 -0.035 0.000 0.816 625 E CB 2.509 32.167 29.700 -0.071 0.000 1.356 625 E HN 1.091 nan 8.360 nan 0.000 0.462 626 G N 0.634 109.402 108.800 -0.053 0.000 1.956 626 G HA2 0.405 4.368 3.960 0.005 0.000 0.189 626 G HA3 0.405 4.368 3.960 0.005 0.000 0.189 626 G C -0.891 173.962 174.900 -0.078 0.000 1.568 626 G CA -0.287 44.782 45.100 -0.052 0.000 1.002 626 G HN 0.590 nan 8.290 nan 0.000 0.653 627 A N 1.067 123.842 122.820 -0.076 0.000 2.496 627 A HA 0.648 4.971 4.320 0.005 0.000 0.278 627 A C 1.646 179.081 177.584 -0.249 0.000 1.137 627 A CA 1.530 53.502 52.037 -0.108 0.000 0.805 627 A CB -0.161 18.805 19.000 -0.056 0.000 1.077 627 A HN 2.726 nan 8.150 nan 0.000 0.513 628 G N 1.110 109.683 108.800 -0.378 0.000 2.545 628 G HA2 -0.147 3.816 3.960 0.005 0.000 0.195 628 G HA3 -0.147 3.816 3.960 0.005 0.000 0.195 628 G C 0.482 175.048 174.900 -0.556 0.000 1.009 628 G CA 0.255 44.845 45.100 -0.851 0.000 0.703 628 G HN 0.570 nan 8.290 nan 0.000 0.479 629 L N 1.632 122.677 121.223 -0.297 0.000 2.425 629 L HA 0.396 4.739 4.340 0.005 0.000 0.215 629 L C 1.230 178.069 176.870 -0.051 0.000 1.065 629 L CA 2.167 56.938 54.840 -0.114 0.000 0.842 629 L CB -0.590 41.440 42.059 -0.049 0.000 1.033 629 L HN 0.526 nan 8.230 nan 0.000 0.474 630 T N -3.762 110.763 114.554 -0.049 0.000 2.923 630 T HA 0.381 4.734 4.350 0.005 0.000 0.311 630 T C 0.570 175.266 174.700 -0.008 0.000 1.183 630 T CA -0.690 61.400 62.100 -0.017 0.000 1.020 630 T CB 2.414 71.276 68.868 -0.011 0.000 1.165 630 T HN -0.183 nan 8.240 nan 0.000 0.482 631 E N 1.183 121.389 120.200 0.010 0.000 2.086 631 E HA 0.047 4.400 4.350 0.005 0.000 0.190 631 E C 0.749 177.358 176.600 0.015 0.000 0.975 631 E CA 0.984 57.397 56.400 0.022 0.000 0.813 631 E CB 0.218 29.936 29.700 0.030 0.000 0.768 631 E HN 0.913 nan 8.360 nan 0.000 0.457 632 E N 0.344 120.551 120.200 0.012 0.000 2.263 632 E HA 0.369 4.722 4.350 0.005 0.000 0.264 632 E C -0.328 176.277 176.600 0.008 0.000 0.923 632 E CA -0.827 55.581 56.400 0.013 0.000 0.802 632 E CB 1.408 31.117 29.700 0.016 0.000 1.228 632 E HN -0.214 nan 8.360 nan 0.000 0.417 633 Q N 0.946 120.753 119.800 0.011 0.000 2.421 633 Q HA 0.092 4.435 4.340 0.005 0.000 0.255 633 Q C -0.816 175.192 176.000 0.014 0.000 1.013 633 Q CA -0.034 55.774 55.803 0.009 0.000 0.895 633 Q CB 0.673 29.420 28.738 0.015 0.000 1.271 633 Q HN 0.319 nan 8.270 nan 0.000 0.460 634 K N 2.564 122.974 120.400 0.017 0.000 2.426 634 K HA 0.427 4.750 4.320 0.005 0.000 0.254 634 K C -1.328 175.294 176.600 0.037 0.000 0.936 634 K CA -0.506 55.794 56.287 0.023 0.000 0.801 634 K CB 2.181 34.692 32.500 0.018 0.000 1.139 634 K HN 0.596 nan 8.250 nan 0.000 0.424 635 T N 1.184 115.760 114.554 0.038 0.000 2.848 635 T HA 0.457 4.810 4.350 0.005 0.000 0.285 635 T C -0.586 174.150 174.700 0.059 0.000 0.995 635 T CA -0.599 61.531 62.100 0.050 0.000 0.970 635 T CB 1.860 70.743 68.868 0.026 0.000 0.976 635 T HN 0.145 nan 8.240 nan 0.000 0.441 636 V N 2.885 122.858 119.914 0.097 0.000 2.680 636 V HA 0.477 4.599 4.120 0.005 0.000 0.309 636 V C -0.412 175.746 176.094 0.107 0.000 1.052 636 V CA -0.912 61.448 62.300 0.100 0.000 0.908 636 V CB 2.127 34.025 31.823 0.124 0.000 1.001 636 V HN 0.860 nan 8.190 nan 0.000 0.431 637 E N 3.986 124.229 120.200 0.072 0.000 2.158 637 E HA 0.463 4.816 4.350 0.005 0.000 0.271 637 E C -1.067 175.575 176.600 0.071 0.000 0.911 637 E CA -0.757 55.673 56.400 0.050 0.000 0.767 637 E CB 1.925 31.636 29.700 0.018 0.000 1.120 637 E HN 0.385 nan 8.360 nan 0.000 0.405 638 I N 6.067 126.687 120.570 0.083 0.000 2.294 638 I HA 0.043 4.216 4.170 0.005 0.000 0.295 638 I C -1.013 175.137 176.117 0.054 0.000 1.098 638 I CA -2.241 59.116 61.300 0.096 0.000 1.277 638 I CB 0.012 38.098 38.000 0.143 0.000 1.434 638 I HN 0.458 nan 8.210 nan 0.000 0.498 639 P HA -0.176 nan 4.420 nan 0.000 0.216 639 P C -0.032 177.283 177.300 0.024 0.000 1.157 639 P CA 1.456 64.572 63.100 0.028 0.000 0.880 639 P CB 0.352 32.068 31.700 0.026 0.000 0.791 640 D N 0.293 120.712 120.400 0.031 0.000 2.272 640 D HA 0.334 4.977 4.640 0.005 0.000 0.247 640 D C -2.256 174.063 176.300 0.032 0.000 0.990 640 D CA -1.918 52.098 54.000 0.026 0.000 0.931 640 D CB 0.218 41.032 40.800 0.024 0.000 1.195 640 D HN 0.151 nan 8.370 nan 0.000 0.477 641 P HA 0.060 nan 4.420 nan 0.000 0.272 641 P C -0.816 176.506 177.300 0.036 0.000 1.223 641 P CA -0.340 62.778 63.100 0.030 0.000 0.784 641 P CB 0.698 32.410 31.700 0.020 0.000 0.923 642 V N 3.029 122.970 119.914 0.045 0.000 2.311 642 V HA 0.128 4.251 4.120 0.005 0.000 0.275 642 V C 0.863 176.971 176.094 0.023 0.000 1.022 642 V CA -0.586 61.737 62.300 0.039 0.000 0.830 642 V CB 0.505 32.360 31.823 0.054 0.000 1.012 642 V HN 0.510 nan 8.190 nan 0.000 0.452 643 E N 2.798 123.005 120.200 0.012 0.000 2.447 643 E HA 0.134 4.486 4.350 0.005 0.000 0.259 643 E C 1.565 178.162 176.600 -0.006 0.000 1.196 643 E CA 0.514 56.916 56.400 0.004 0.000 0.995 643 E CB 0.630 30.331 29.700 0.001 0.000 0.974 643 E HN 0.636 nan 8.360 nan 0.000 0.465 644 A N 1.719 124.532 122.820 -0.013 0.000 1.881 644 A HA -0.246 4.077 4.320 0.005 0.000 0.219 644 A C 2.075 179.640 177.584 -0.032 0.000 1.215 644 A CA 2.843 54.864 52.037 -0.027 0.000 0.648 644 A CB -1.298 17.684 19.000 -0.031 0.000 0.832 644 A HN 0.676 nan 8.150 nan 0.000 0.455 645 G N -0.203 108.582 108.800 -0.026 0.000 2.404 645 G HA2 0.055 4.018 3.960 0.005 0.000 0.214 645 G HA3 0.055 4.018 3.960 0.005 0.000 0.214 645 G C 0.387 175.271 174.900 -0.026 0.000 1.189 645 G CA 0.413 45.496 45.100 -0.027 0.000 0.789 645 G HN 0.555 nan 8.290 nan 0.000 0.533 646 E N 1.605 121.794 120.200 -0.018 0.000 2.864 646 E HA -0.073 4.280 4.350 0.005 0.000 0.285 646 E C 0.422 177.010 176.600 -0.021 0.000 0.965 646 E CA 0.757 57.150 56.400 -0.013 0.000 0.985 646 E CB 0.210 29.908 29.700 -0.002 0.000 1.000 646 E HN 0.817 nan 8.360 nan 0.000 0.475 647 E N -0.008 120.181 120.200 -0.018 0.000 2.232 647 E HA 0.581 4.934 4.350 0.005 0.000 0.264 647 E C -0.876 175.724 176.600 -0.001 0.000 0.973 647 E CA -1.025 55.360 56.400 -0.026 0.000 0.849 647 E CB 1.360 31.044 29.700 -0.026 0.000 1.198 647 E HN 0.150 nan 8.360 nan 0.000 0.407 648 V N 0.707 120.625 119.914 0.008 0.000 2.715 648 V HA 0.609 4.732 4.120 0.005 0.000 0.310 648 V C -0.386 175.767 176.094 0.099 0.000 1.054 648 V CA -0.882 61.469 62.300 0.085 0.000 0.928 648 V CB 1.462 33.376 31.823 0.150 0.000 1.007 648 V HN 0.794 nan 8.190 nan 0.000 0.437 649 K N 1.599 122.054 120.400 0.091 0.000 2.532 649 K HA 0.884 5.207 4.320 0.005 0.000 0.265 649 K C -2.098 174.495 176.600 -0.012 0.000 0.948 649 K CA -0.526 55.758 56.287 -0.004 0.000 0.842 649 K CB 2.769 35.253 32.500 -0.026 0.000 1.392 649 K HN 0.623 nan 8.250 nan 0.000 0.436 650 V N 2.250 122.090 119.914 -0.124 0.000 3.236 650 V HA 0.570 4.693 4.120 0.005 0.000 0.287 650 V C -2.099 173.907 176.094 -0.146 0.000 1.491 650 V CA -0.707 61.537 62.300 -0.093 0.000 1.037 650 V CB 2.254 34.062 31.823 -0.026 0.000 1.160 650 V HN 0.891 nan 8.190 nan 0.000 0.453 651 R N 4.385 124.834 120.500 -0.085 0.000 2.832 651 R HA 0.888 5.230 4.340 0.005 0.000 0.271 651 R C -1.039 175.226 176.300 -0.058 0.000 0.996 651 R CA -0.753 55.299 56.100 -0.080 0.000 0.977 651 R CB 2.109 32.378 30.300 -0.052 0.000 1.168 651 R HN 0.688 nan 8.270 nan 0.000 0.482 652 M N 1.580 121.148 119.600 -0.054 0.000 2.224 652 M HA 0.255 4.738 4.480 0.005 0.000 0.281 652 M C -1.594 174.693 176.300 -0.022 0.000 1.025 652 M CA -0.803 54.478 55.300 -0.031 0.000 0.954 652 M CB 2.505 35.086 32.600 -0.031 0.000 1.639 652 M HN 0.451 nan 8.290 nan 0.000 0.461 653 D N 5.227 125.620 120.400 -0.012 0.000 2.343 653 D HA 0.471 5.114 4.640 0.005 0.000 0.255 653 D C -0.541 175.757 176.300 -0.004 0.000 1.187 653 D CA 0.243 54.238 54.000 -0.008 0.000 0.875 653 D CB 1.290 42.087 40.800 -0.004 0.000 1.136 653 D HN 0.443 nan 8.370 nan 0.000 0.469 654 L N 1.342 122.563 121.223 -0.004 0.000 2.301 654 L HA 0.495 4.838 4.340 0.005 0.000 0.264 654 L C -0.463 176.408 176.870 0.002 0.000 1.016 654 L CA -1.173 53.666 54.840 -0.001 0.000 0.821 654 L CB 1.761 43.819 42.059 -0.002 0.000 1.346 654 L HN 0.111 nan 8.230 nan 0.000 0.429 655 L N 3.086 124.311 121.223 0.003 0.000 2.470 655 L HA 0.485 4.828 4.340 0.005 0.000 0.253 655 L C -2.457 174.419 176.870 0.009 0.000 1.163 655 L CA -1.574 53.269 54.840 0.006 0.000 0.932 655 L CB 0.822 42.884 42.059 0.005 0.000 1.213 655 L HN 0.202 nan 8.230 nan 0.000 0.485 656 P HA 0.053 nan 4.420 nan 0.000 0.261 656 P C 0.562 177.880 177.300 0.030 0.000 1.183 656 P CA 0.468 63.582 63.100 0.022 0.000 0.761 656 P CB 0.661 32.391 31.700 0.051 0.000 0.785 657 L N 1.866 123.119 121.223 0.050 0.000 2.467 657 L HA 0.121 4.464 4.340 0.005 0.000 0.213 657 L C 0.498 177.333 176.870 -0.058 0.000 1.053 657 L CA 0.494 55.332 54.840 -0.002 0.000 0.847 657 L CB -0.259 41.797 42.059 -0.005 0.000 1.075 657 L HN 0.459 nan 8.230 nan 0.000 0.479 658 H N 0.104 119.196 119.070 0.038 0.000 2.463 658 H HA 0.395 4.954 4.556 0.005 0.000 0.332 658 H C 0.226 175.717 175.328 0.271 0.000 1.127 658 H CA -0.567 55.565 56.048 0.139 0.000 1.238 658 H CB 1.106 30.977 29.762 0.182 0.000 1.478 658 H HN -0.004 nan 8.280 nan 0.000 0.499 659 M N 0.623 120.396 119.600 0.288 0.000 1.898 659 M HA 0.602 5.085 4.480 0.005 0.000 0.191 659 M C 0.782 177.154 176.300 0.121 0.000 1.181 659 M CA 0.064 55.478 55.300 0.191 0.000 0.990 659 M CB 0.239 32.891 32.600 0.087 0.000 1.143 659 M HN 0.747 nan 8.290 nan 0.000 0.540 660 G N -0.010 108.781 108.800 -0.015 0.000 2.568 660 G HA2 -0.118 3.845 3.960 0.005 0.000 0.222 660 G HA3 -0.118 3.845 3.960 0.005 0.000 0.222 660 G C -1.522 173.192 174.900 -0.309 0.000 1.321 660 G CA -0.191 44.819 45.100 -0.149 0.000 0.893 660 G HN 0.922 nan 8.290 nan 0.000 0.569 661 L N 1.461 122.459 121.223 -0.375 0.000 2.334 661 L HA 0.875 5.218 4.340 0.005 0.000 0.277 661 L C -0.174 176.369 176.870 -0.545 0.000 1.075 661 L CA -0.724 53.929 54.840 -0.312 0.000 0.804 661 L CB 1.164 43.136 42.059 -0.145 0.000 1.174 661 L HN 0.786 nan 8.230 nan 0.000 0.438 662 H N 3.360 122.447 119.070 0.029 0.000 3.029 662 H HA 0.318 4.877 4.556 0.005 0.000 0.358 662 H C -1.210 174.137 175.328 0.032 0.000 1.129 662 H CA -0.797 55.265 56.048 0.023 0.000 1.230 662 H CB 1.737 31.518 29.762 0.031 0.000 1.827 662 H HN 0.532 nan 8.280 nan 0.000 0.530 663 K N 2.597 123.084 120.400 0.145 0.000 2.234 663 K HA 0.270 4.593 4.320 0.005 0.000 0.277 663 K C -0.576 176.093 176.600 0.115 0.000 1.038 663 K CA -0.874 55.486 56.287 0.123 0.000 0.888 663 K CB 1.022 33.537 32.500 0.024 0.000 1.091 663 K HN 0.284 nan 8.250 nan 0.000 0.467 664 L N 6.562 127.872 121.223 0.145 0.000 2.261 664 L HA 0.235 4.578 4.340 0.005 0.000 0.289 664 L C -0.712 176.239 176.870 0.135 0.000 1.059 664 L CA -0.419 54.482 54.840 0.101 0.000 0.816 664 L CB 0.970 43.075 42.059 0.077 0.000 1.191 664 L HN 0.359 nan 8.230 nan 0.000 0.431 665 V N 4.501 124.461 119.914 0.078 0.000 2.539 665 V HA 0.848 4.971 4.120 0.005 0.000 0.292 665 V C -0.176 175.959 176.094 0.069 0.000 1.045 665 V CA -0.369 61.984 62.300 0.089 0.000 0.945 665 V CB 1.366 33.180 31.823 -0.015 0.000 0.993 665 V HN 0.729 nan 8.190 nan 0.000 0.464 666 V N 1.664 121.644 119.914 0.110 0.000 3.007 666 V HA 0.834 4.957 4.120 0.005 0.000 0.311 666 V C -1.049 175.136 176.094 0.151 0.000 1.120 666 V CA -0.612 61.767 62.300 0.132 0.000 0.980 666 V CB 2.006 33.928 31.823 0.166 0.000 1.033 666 V HN 1.201 nan 8.190 nan 0.000 0.429 667 N N 2.333 121.131 118.700 0.163 0.000 2.310 667 N HA 0.601 5.344 4.740 0.005 0.000 0.292 667 N C -1.808 173.781 175.510 0.132 0.000 1.049 667 N CA -0.496 52.627 53.050 0.122 0.000 0.849 667 N CB 2.038 40.539 38.487 0.024 0.000 1.532 667 N HN 0.909 nan 8.380 nan 0.000 0.479 668 F N 2.227 122.127 119.950 -0.083 0.000 2.436 668 F HA 0.604 5.134 4.527 0.005 0.000 0.340 668 F C -0.284 175.379 175.800 -0.228 0.000 1.113 668 F CA -0.542 57.260 58.000 -0.329 0.000 1.022 668 F CB 1.340 40.057 39.000 -0.472 0.000 1.128 668 F HN 0.512 nan 8.300 nan 0.000 0.466 669 E N 3.350 122.899 120.200 -1.085 0.000 2.238 669 E HA 0.684 5.037 4.350 0.005 0.000 0.267 669 E C -1.412 174.593 176.600 -0.991 0.000 0.887 669 E CA -0.451 55.489 56.400 -0.767 0.000 0.769 669 E CB 1.831 31.281 29.700 -0.417 0.000 1.187 669 E HN 0.717 nan 8.360 nan 0.000 0.416 670 S N 2.077 117.442 115.700 -0.557 0.000 2.636 670 S HA 0.263 4.736 4.470 0.005 0.000 0.268 670 S C 0.060 174.569 174.600 -0.152 0.000 1.159 670 S CA -0.198 57.792 58.200 -0.349 0.000 0.815 670 S CB 0.627 63.684 63.200 -0.239 0.000 1.130 670 S HN 0.529 nan 8.310 nan 0.000 0.471 671 D N 0.860 121.210 120.400 -0.083 0.000 2.144 671 D HA -0.033 4.610 4.640 0.005 0.000 0.200 671 D C 1.019 177.314 176.300 -0.007 0.000 0.978 671 D CA 1.256 55.231 54.000 -0.041 0.000 0.833 671 D CB -0.256 40.529 40.800 -0.026 0.000 0.961 671 D HN 0.481 nan 8.370 nan 0.000 0.470 672 K N -0.850 119.562 120.400 0.021 0.000 2.358 672 K HA 0.414 4.737 4.320 0.005 0.000 0.200 672 K C -0.094 176.559 176.600 0.089 0.000 1.030 672 K CA -0.086 56.238 56.287 0.062 0.000 1.097 672 K CB 1.364 33.916 32.500 0.087 0.000 0.862 672 K HN 0.083 nan 8.250 nan 0.000 0.534 673 L N 1.683 122.949 121.223 0.072 0.000 2.529 673 L HA 0.341 4.683 4.340 0.005 0.000 0.258 673 L C -1.407 175.497 176.870 0.056 0.000 1.032 673 L CA -0.399 54.507 54.840 0.109 0.000 0.899 673 L CB 1.045 43.220 42.059 0.193 0.000 1.174 673 L HN -0.022 nan 8.230 nan 0.000 0.458 674 K N 2.429 122.851 120.400 0.036 0.000 2.123 674 K HA 0.717 5.039 4.320 0.005 0.000 0.248 674 K C 0.596 177.214 176.600 0.030 0.000 0.969 674 K CA -0.204 56.075 56.287 -0.013 0.000 0.882 674 K CB 1.843 34.337 32.500 -0.011 0.000 1.080 674 K HN 0.554 nan 8.250 nan 0.000 0.441 675 A N 0.195 123.012 122.820 -0.005 0.000 2.466 675 A HA -0.126 4.197 4.320 0.005 0.000 0.295 675 A C 0.082 177.714 177.584 0.080 0.000 1.465 675 A CA 0.647 52.702 52.037 0.031 0.000 0.744 675 A CB -2.279 16.750 19.000 0.048 0.000 1.098 675 A HN 0.560 nan 8.150 nan 0.000 0.402 676 V N -1.765 118.222 119.914 0.121 0.000 2.394 676 V HA 0.845 4.968 4.120 0.005 0.000 0.282 676 V C 0.183 176.362 176.094 0.142 0.000 1.031 676 V CA -1.108 61.278 62.300 0.144 0.000 0.881 676 V CB 1.489 33.417 31.823 0.174 0.000 0.982 676 V HN 0.441 nan 8.190 nan 0.000 0.451 677 K N 3.388 123.859 120.400 0.118 0.000 2.109 677 K HA 0.933 5.256 4.320 0.005 0.000 0.243 677 K C 0.281 176.965 176.600 0.139 0.000 1.006 677 K CA 0.358 56.719 56.287 0.122 0.000 0.917 677 K CB 1.556 34.112 32.500 0.094 0.000 1.081 677 K HN 1.285 nan 8.250 nan 0.000 0.468 678 G N 0.004 108.905 108.800 0.169 0.000 2.632 678 G HA2 0.599 4.562 3.960 0.005 0.000 0.292 678 G HA3 0.599 4.562 3.960 0.005 0.000 0.292 678 G C -1.873 173.174 174.900 0.245 0.000 1.465 678 G CA -0.818 44.369 45.100 0.145 0.000 0.824 678 G HN 0.468 nan 8.290 nan 0.000 0.509 679 F N -0.696 119.280 119.950 0.043 0.000 2.719 679 F HA 0.928 5.458 4.527 0.005 0.000 0.309 679 F C -1.312 174.516 175.800 0.047 0.000 1.138 679 F CA -1.444 56.587 58.000 0.052 0.000 0.943 679 F CB 2.002 41.058 39.000 0.094 0.000 1.304 679 F HN 0.731 nan 8.300 nan 0.000 0.445 680 R N 2.133 122.734 120.500 0.169 0.000 2.535 680 R HA 0.434 4.777 4.340 0.005 0.000 0.274 680 R C -2.025 174.387 176.300 0.187 0.000 1.090 680 R CA -0.554 55.569 56.100 0.039 0.000 0.930 680 R CB 1.189 31.475 30.300 -0.023 0.000 1.223 680 R HN 0.775 nan 8.270 nan 0.000 0.441 681 N N 2.521 121.327 118.700 0.176 0.000 2.458 681 N HA 0.255 4.998 4.740 0.005 0.000 0.270 681 N C -1.090 174.473 175.510 0.089 0.000 1.102 681 N CA 0.045 53.187 53.050 0.152 0.000 0.967 681 N CB 1.633 40.206 38.487 0.143 0.000 1.078 681 N HN 0.248 nan 8.380 nan 0.000 0.471 682 V N 4.054 124.023 119.914 0.092 0.000 2.483 682 V HA 0.378 4.501 4.120 0.005 0.000 0.297 682 V C 0.016 176.149 176.094 0.065 0.000 1.027 682 V CA -0.807 61.540 62.300 0.078 0.000 0.855 682 V CB 2.010 33.892 31.823 0.098 0.000 0.995 682 V HN 0.425 nan 8.190 nan 0.000 0.424 683 I N 5.812 126.405 120.570 0.038 0.000 2.304 683 I HA 0.383 4.556 4.170 0.005 0.000 0.291 683 I C -0.329 175.812 176.117 0.040 0.000 1.018 683 I CA -0.322 60.987 61.300 0.014 0.000 1.260 683 I CB 1.426 39.427 38.000 0.002 0.000 1.390 683 I HN 0.354 nan 8.210 nan 0.000 0.475 684 I N 5.902 126.510 120.570 0.063 0.000 2.315 684 I HA 0.381 4.554 4.170 0.005 0.000 0.291 684 I C 0.930 177.081 176.117 0.057 0.000 1.006 684 I CA -0.024 61.330 61.300 0.090 0.000 1.265 684 I CB 0.922 39.030 38.000 0.180 0.000 1.387 684 I HN 0.558 nan 8.210 nan 0.000 0.475 685 G N 7.827 116.651 108.800 0.040 0.000 2.583 685 G HA2 0.626 4.589 3.960 0.005 0.000 0.280 685 G HA3 0.626 4.589 3.960 0.005 0.000 0.280 685 G C -2.844 172.072 174.900 0.025 0.000 1.376 685 G CA -1.214 43.901 45.100 0.026 0.000 1.043 685 G HN 0.320 nan 8.290 nan 0.000 0.538 686 P HA 0.288 nan 4.420 nan 0.000 0.275 686 P C 0.325 177.630 177.300 0.008 0.000 1.228 686 P CA 0.171 63.278 63.100 0.010 0.000 0.786 686 P CB 1.490 33.193 31.700 0.005 0.000 0.927 687 A N 3.496 126.319 122.820 0.005 0.000 1.970 687 A HA 0.156 4.479 4.320 0.005 0.000 0.216 687 A C 0.519 178.104 177.584 0.001 0.000 1.170 687 A CA 1.061 53.100 52.037 0.003 0.000 0.645 687 A CB -0.938 18.062 19.000 -0.000 0.000 0.816 687 A HN 0.608 nan 8.150 nan 0.000 0.447 688 L N 0.000 121.223 121.223 -0.000 0.000 2.949 688 L HA 0.000 4.343 4.340 0.005 0.000 0.249 688 L CA 0.000 54.840 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