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 3kdy_1_A DATA FIRST_RESID 11 DATA SEQUENCE VPVSVDGETL TVEAVRRVAE ERATVDVPAE SIAKAQKSRE IFEGIAEQNI DATA SEQUENCE PIYGVTTGYG AMIYMQVDKS KEVELQTNLV RSHSAGVGPL FAEDEARAIV DATA SEQUENCE AARLNTLAKG HSAVRPIILE RLAQYLNEGI TPAIPEIGSL GXXXDLAPLS DATA SEQUENCE HVASTLIGEG YVLRDGRPVE TAQVLAERGI EPLELRFKEG LALINGTSGM DATA SEQUENCE TGLGSLVVGR ALEQAQQAEI VTALLIEAVR GSTSPFLAEG HDIARPHEGQ DATA SEQUENCE IDTAANMRAL MRGSGLTVEH ADLRRELQKD KEAGKDVQRS EIYLQKAYSL DATA SEQUENCE RAIPQVVGAV RDTLYHARHK LRIELNSAND NPLFFEGKEI FHGANFHGQP DATA SEQUENCE IAFAMDFVTI ALTQLGVLAE RQINRVLNRH LSYGLPEFLV SGDPGLHSGF DATA SEQUENCE AGAQYPATAL VAENRTIGPA STQSVPSNGD NQDVVSMGLI SARNARRVLS DATA SEQUENCE NNNKILAVEY LAAAQAVDIS GRFDGLSPAA KATYEAVRRL VPTLGVDRYM DATA SEQUENCE ADDIELVADA LSRGEFLRAI ARETDIQLR 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 11 V HA 0.000 nan 4.120 nan 0.000 0.244 11 V C 0.000 176.097 176.094 0.005 0.000 1.182 11 V CA 0.000 62.303 62.300 0.004 0.000 1.235 11 V CB 0.000 31.826 31.823 0.004 0.000 1.184 12 P HA 0.366 nan 4.420 nan 0.000 0.269 12 P C -0.519 176.785 177.300 0.006 0.000 1.215 12 P CA 0.412 63.515 63.100 0.006 0.000 0.780 12 P CB 1.257 32.960 31.700 0.005 0.000 0.898 13 V N 1.732 121.650 119.914 0.006 0.000 2.472 13 V HA 0.298 4.421 4.120 0.005 0.000 0.290 13 V C 0.714 176.811 176.094 0.005 0.000 1.037 13 V CA -0.510 61.794 62.300 0.006 0.000 0.908 13 V CB 1.240 33.068 31.823 0.007 0.000 0.985 13 V HN 0.785 nan 8.190 nan 0.000 0.454 14 S N 3.486 119.189 115.700 0.004 0.000 2.457 14 S HA 0.537 5.010 4.470 0.005 0.000 0.289 14 S C -0.517 174.084 174.600 0.002 0.000 1.163 14 S CA -0.695 57.506 58.200 0.002 0.000 1.078 14 S CB 1.368 64.569 63.200 0.002 0.000 0.987 14 S HN 0.428 nan 8.310 nan 0.000 0.482 15 V N 4.466 124.379 119.914 -0.001 0.000 2.222 15 V HA 0.174 4.298 4.120 0.005 0.000 0.253 15 V C 0.569 176.659 176.094 -0.006 0.000 1.210 15 V CA -0.363 61.935 62.300 -0.003 0.000 1.079 15 V CB -0.521 31.298 31.823 -0.006 0.000 1.265 15 V HN 1.022 nan 8.190 nan 0.000 0.494 16 D N 2.285 122.684 120.400 -0.002 0.000 2.367 16 D HA 0.109 4.752 4.640 0.005 0.000 0.207 16 D C 1.490 177.790 176.300 -0.001 0.000 1.034 16 D CA 0.784 54.782 54.000 -0.004 0.000 0.861 16 D CB 0.723 41.524 40.800 0.000 0.000 0.943 16 D HN 0.663 nan 8.370 nan 0.000 0.515 17 G N 1.160 109.963 108.800 0.005 0.000 2.143 17 G HA2 -0.263 3.700 3.960 0.005 0.000 0.248 17 G HA3 -0.263 3.700 3.960 0.005 0.000 0.248 17 G C 0.557 175.471 174.900 0.024 0.000 0.991 17 G CA 0.529 45.637 45.100 0.014 0.000 0.689 17 G HN 0.445 nan 8.290 nan 0.000 0.522 18 E N -1.843 118.370 120.200 0.021 0.000 2.640 18 E HA 0.021 4.374 4.350 0.005 0.000 0.197 18 E C 1.673 178.286 176.600 0.022 0.000 0.925 18 E CA 1.059 57.474 56.400 0.025 0.000 1.604 18 E CB -0.147 29.569 29.700 0.028 0.000 1.769 18 E HN 0.672 nan 8.360 nan 0.000 0.965 19 T N -0.430 114.134 114.554 0.017 0.000 2.975 19 T HA 0.189 4.542 4.350 0.005 0.000 0.257 19 T C 0.730 175.439 174.700 0.015 0.000 1.003 19 T CA -0.401 61.709 62.100 0.016 0.000 0.932 19 T CB 0.268 69.143 68.868 0.012 0.000 1.087 19 T HN -0.063 nan 8.240 nan 0.000 0.512 20 L N 5.011 126.242 121.223 0.014 0.000 2.601 20 L HA 0.323 4.667 4.340 0.005 0.000 0.277 20 L C 0.311 177.191 176.870 0.017 0.000 1.219 20 L CA 0.500 55.348 54.840 0.013 0.000 0.915 20 L CB -0.385 41.680 42.059 0.010 0.000 1.160 20 L HN 0.521 nan 8.230 nan 0.000 0.494 21 T N 1.432 115.997 114.554 0.017 0.000 2.949 21 T HA 0.488 4.841 4.350 0.005 0.000 0.287 21 T C 1.266 175.980 174.700 0.022 0.000 1.034 21 T CA -0.439 61.674 62.100 0.022 0.000 1.018 21 T CB 1.153 70.034 68.868 0.021 0.000 1.135 21 T HN 0.266 nan 8.240 nan 0.000 0.532 22 V N 1.282 121.213 119.914 0.029 0.000 2.233 22 V HA -0.163 3.960 4.120 0.005 0.000 0.247 22 V C 2.872 178.983 176.094 0.028 0.000 1.050 22 V CA 2.041 64.360 62.300 0.031 0.000 1.010 22 V CB -0.808 31.041 31.823 0.044 0.000 0.637 22 V HN 0.883 nan 8.190 nan 0.000 0.444 23 E N 0.250 120.468 120.200 0.030 0.000 2.070 23 E HA -0.255 4.098 4.350 0.005 0.000 0.197 23 E C 2.319 178.931 176.600 0.020 0.000 1.004 23 E CA 1.717 58.133 56.400 0.027 0.000 0.805 23 E CB -0.828 28.888 29.700 0.026 0.000 0.744 23 E HN 0.600 nan 8.360 nan 0.000 0.451 24 A N 0.939 123.769 122.820 0.018 0.000 1.940 24 A HA -0.169 4.154 4.320 0.005 0.000 0.219 24 A C 2.632 180.224 177.584 0.012 0.000 1.176 24 A CA 1.791 53.836 52.037 0.014 0.000 0.631 24 A CB -0.668 18.340 19.000 0.012 0.000 0.814 24 A HN 0.161 nan 8.150 nan 0.000 0.446 25 V N -0.360 119.561 119.914 0.013 0.000 2.358 25 V HA -0.245 3.878 4.120 0.005 0.000 0.246 25 V C 2.572 178.672 176.094 0.010 0.000 1.047 25 V CA 2.146 64.452 62.300 0.009 0.000 1.035 25 V CB -0.864 30.963 31.823 0.007 0.000 0.658 25 V HN 0.506 nan 8.190 nan 0.000 0.452 26 R N 0.472 120.981 120.500 0.015 0.000 2.070 26 R HA -0.179 4.165 4.340 0.005 0.000 0.232 26 R C 2.613 178.922 176.300 0.015 0.000 1.138 26 R CA 2.026 58.137 56.100 0.017 0.000 0.936 26 R CB -0.435 29.878 30.300 0.023 0.000 0.839 26 R HN 0.635 nan 8.270 nan 0.000 0.429 27 R N 0.134 120.643 120.500 0.015 0.000 2.152 27 R HA -0.071 4.272 4.340 0.005 0.000 0.232 27 R C 1.804 178.111 176.300 0.011 0.000 1.117 27 R CA 1.459 57.567 56.100 0.013 0.000 0.981 27 R CB -0.494 29.814 30.300 0.012 0.000 0.870 27 R HN 0.045 nan 8.270 nan 0.000 0.451 28 V N 1.084 121.004 119.914 0.011 0.000 2.346 28 V HA -0.062 4.061 4.120 0.005 0.000 0.244 28 V C 2.527 178.628 176.094 0.011 0.000 1.037 28 V CA 1.852 64.158 62.300 0.011 0.000 1.029 28 V CB -0.176 31.653 31.823 0.010 0.000 0.663 28 V HN 0.593 nan 8.190 nan 0.000 0.454 29 A N -0.982 121.844 122.820 0.010 0.000 1.970 29 A HA -0.081 4.242 4.320 0.005 0.000 0.216 29 A C 2.094 179.686 177.584 0.012 0.000 1.170 29 A CA 1.216 53.259 52.037 0.010 0.000 0.645 29 A CB -0.173 18.829 19.000 0.004 0.000 0.816 29 A HN 0.604 nan 8.150 nan 0.000 0.447 30 E N -0.262 119.946 120.200 0.013 0.000 2.034 30 E HA -0.065 4.289 4.350 0.005 0.000 0.192 30 E C 1.475 178.081 176.600 0.010 0.000 0.963 30 E CA 0.702 57.110 56.400 0.013 0.000 0.831 30 E CB -0.170 29.539 29.700 0.015 0.000 0.801 30 E HN 0.600 nan 8.360 nan 0.000 0.463 31 E N 0.674 120.880 120.200 0.009 0.000 2.515 31 E HA -0.063 4.291 4.350 0.005 0.000 0.201 31 E C -0.349 176.255 176.600 0.007 0.000 1.071 31 E CA 0.038 56.442 56.400 0.007 0.000 0.880 31 E CB -0.192 29.512 29.700 0.007 0.000 0.828 31 E HN 0.153 nan 8.360 nan 0.000 0.540 32 R N -1.584 118.921 120.500 0.009 0.000 3.770 32 R HA -0.215 4.129 4.340 0.005 0.000 0.305 32 R C 0.035 176.341 176.300 0.009 0.000 1.184 32 R CA 0.286 56.391 56.100 0.009 0.000 0.823 32 R CB -2.677 27.627 30.300 0.006 0.000 1.285 32 R HN 0.193 nan 8.270 nan 0.000 0.499 33 A N 0.523 123.349 122.820 0.009 0.000 2.492 33 A HA 0.301 4.624 4.320 0.005 0.000 0.236 33 A C 0.716 178.306 177.584 0.010 0.000 1.078 33 A CA 0.582 52.624 52.037 0.009 0.000 0.773 33 A CB 0.330 19.335 19.000 0.009 0.000 1.023 33 A HN 0.217 nan 8.150 nan 0.000 0.504 34 T N 0.702 115.261 114.554 0.009 0.000 2.889 34 T HA 0.471 4.825 4.350 0.005 0.000 0.291 34 T C 0.080 174.786 174.700 0.010 0.000 0.995 34 T CA 0.102 62.208 62.100 0.011 0.000 1.092 34 T CB 0.923 69.796 68.868 0.009 0.000 0.954 34 T HN 1.254 nan 8.240 nan 0.000 0.506 35 V N 0.780 120.701 119.914 0.012 0.000 2.417 35 V HA 0.705 4.828 4.120 0.005 0.000 0.291 35 V C -0.775 175.323 176.094 0.006 0.000 1.024 35 V CA -0.977 61.328 62.300 0.009 0.000 0.861 35 V CB 1.538 33.367 31.823 0.010 0.000 0.985 35 V HN 0.825 nan 8.190 nan 0.000 0.436 36 D N 3.816 124.217 120.400 0.003 0.000 2.391 36 D HA 0.588 5.231 4.640 0.005 0.000 0.245 36 D C -0.336 175.963 176.300 -0.003 0.000 1.069 36 D CA -0.529 53.472 54.000 0.001 0.000 0.831 36 D CB 2.192 42.993 40.800 0.001 0.000 1.204 36 D HN 0.797 nan 8.370 nan 0.000 0.503 37 V N 3.057 122.967 119.914 -0.006 0.000 2.277 37 V HA 0.509 4.632 4.120 0.005 0.000 0.269 37 V C -2.209 173.879 176.094 -0.011 0.000 1.036 37 V CA -1.936 60.358 62.300 -0.011 0.000 0.821 37 V CB 0.296 32.109 31.823 -0.017 0.000 1.052 37 V HN 0.505 nan 8.190 nan 0.000 0.462 38 P HA -0.030 nan 4.420 nan 0.000 0.258 38 P C 1.202 178.495 177.300 -0.011 0.000 1.172 38 P CA 0.909 64.004 63.100 -0.007 0.000 0.762 38 P CB 1.088 32.785 31.700 -0.005 0.000 0.764 39 A N 4.369 127.183 122.820 -0.009 0.000 2.067 39 A HA -0.299 4.024 4.320 0.005 0.000 0.224 39 A C 1.989 179.566 177.584 -0.013 0.000 1.172 39 A CA 2.227 54.257 52.037 -0.011 0.000 0.662 39 A CB -0.964 18.032 19.000 -0.008 0.000 0.814 39 A HN 0.560 nan 8.150 nan 0.000 0.468 40 E N -0.066 120.128 120.200 -0.011 0.000 2.038 40 E HA -0.135 4.218 4.350 0.005 0.000 0.195 40 E C 2.336 178.924 176.600 -0.020 0.000 1.000 40 E CA 1.682 58.075 56.400 -0.011 0.000 0.803 40 E CB -0.392 29.304 29.700 -0.007 0.000 0.750 40 E HN 0.585 nan 8.360 nan 0.000 0.448 41 S N 0.366 116.052 115.700 -0.023 0.000 2.382 41 S HA -0.108 4.365 4.470 0.005 0.000 0.228 41 S C 1.920 176.494 174.600 -0.043 0.000 1.027 41 S CA 0.789 58.968 58.200 -0.036 0.000 0.991 41 S CB -0.217 62.964 63.200 -0.031 0.000 0.823 41 S HN 0.185 nan 8.310 nan 0.000 0.469 42 I N 1.822 122.372 120.570 -0.033 0.000 2.179 42 I HA -0.202 3.971 4.170 0.005 0.000 0.242 42 I C 2.755 178.851 176.117 -0.036 0.000 1.088 42 I CA 1.490 62.769 61.300 -0.035 0.000 1.357 42 I CB -1.204 36.781 38.000 -0.026 0.000 1.051 42 I HN 0.280 nan 8.210 nan 0.000 0.409 43 A N 0.442 123.245 122.820 -0.028 0.000 2.015 43 A HA -0.207 4.116 4.320 0.005 0.000 0.219 43 A C 2.406 179.973 177.584 -0.028 0.000 1.163 43 A CA 1.406 53.430 52.037 -0.022 0.000 0.646 43 A CB -0.439 18.553 19.000 -0.013 0.000 0.806 43 A HN 0.331 nan 8.150 nan 0.000 0.448 44 K N -0.396 119.981 120.400 -0.039 0.000 2.025 44 K HA -0.031 4.293 4.320 0.005 0.000 0.207 44 K C 2.211 178.765 176.600 -0.077 0.000 1.049 44 K CA 1.017 57.271 56.287 -0.055 0.000 0.933 44 K CB -0.268 32.184 32.500 -0.079 0.000 0.714 44 K HN 0.393 nan 8.250 nan 0.000 0.438 45 A N 0.792 123.560 122.820 -0.086 0.000 1.972 45 A HA -0.239 4.084 4.320 0.005 0.000 0.219 45 A C 2.010 179.538 177.584 -0.093 0.000 1.169 45 A CA 1.674 53.649 52.037 -0.104 0.000 0.635 45 A CB -0.469 18.475 19.000 -0.092 0.000 0.810 45 A HN 0.400 nan 8.150 nan 0.000 0.446 46 Q N 0.481 120.243 119.800 -0.063 0.000 1.994 46 Q HA -0.177 4.167 4.340 0.005 0.000 0.198 46 Q C 2.131 178.106 176.000 -0.042 0.000 0.976 46 Q CA 2.147 57.921 55.803 -0.048 0.000 0.828 46 Q CB -0.300 28.420 28.738 -0.029 0.000 0.894 46 Q HN 0.636 nan 8.270 nan 0.000 0.432 47 K N -0.087 120.301 120.400 -0.020 0.000 2.032 47 K HA -0.239 4.084 4.320 0.005 0.000 0.218 47 K C 1.972 178.575 176.600 0.005 0.000 1.054 47 K CA 2.194 58.491 56.287 0.018 0.000 0.941 47 K CB -0.677 31.846 32.500 0.039 0.000 0.720 47 K HN 0.249 nan 8.250 nan 0.000 0.449 48 S N 1.112 116.787 115.700 -0.043 0.000 2.378 48 S HA -0.185 4.288 4.470 0.005 0.000 0.221 48 S C 1.952 176.307 174.600 -0.409 0.000 1.037 48 S CA 1.655 59.702 58.200 -0.256 0.000 1.069 48 S CB -0.582 62.484 63.200 -0.224 0.000 1.006 48 S HN 0.394 nan 8.310 nan 0.000 0.423 49 R N 1.657 122.012 120.500 -0.241 0.000 2.332 49 R HA -0.064 4.279 4.340 0.005 0.000 0.239 49 R C 1.943 178.196 176.300 -0.078 0.000 1.160 49 R CA 1.194 57.207 56.100 -0.146 0.000 1.020 49 R CB -0.439 29.804 30.300 -0.095 0.000 0.859 49 R HN 0.431 nan 8.270 nan 0.000 0.478 50 E N -0.734 119.415 120.200 -0.085 0.000 2.057 50 E HA -0.028 4.325 4.350 0.005 0.000 0.190 50 E C 1.696 178.288 176.600 -0.014 0.000 0.969 50 E CA 0.684 57.067 56.400 -0.027 0.000 0.812 50 E CB 0.054 29.753 29.700 -0.002 0.000 0.777 50 E HN 0.176 nan 8.360 nan 0.000 0.455 51 I N 1.060 121.625 120.570 -0.009 0.000 2.163 51 I HA -0.208 3.966 4.170 0.005 0.000 0.240 51 I C 2.394 178.539 176.117 0.047 0.000 1.081 51 I CA 0.854 62.222 61.300 0.113 0.000 1.353 51 I CB -1.472 36.806 38.000 0.463 0.000 1.054 51 I HN 0.072 nan 8.210 nan 0.000 0.407 52 F N 2.149 121.828 119.950 -0.452 0.000 2.025 52 F HA -0.316 4.214 4.527 0.005 0.000 0.297 52 F C 2.716 178.445 175.800 -0.118 0.000 1.132 52 F CA 2.471 60.265 58.000 -0.343 0.000 1.191 52 F CB -0.587 38.007 39.000 -0.677 0.000 0.963 52 F HN 0.200 nan 8.300 nan 0.000 0.481 53 E N -0.303 119.871 120.200 -0.043 0.000 2.208 53 E HA -0.253 4.100 4.350 0.005 0.000 0.202 53 E C 2.342 178.841 176.600 -0.167 0.000 1.014 53 E CA 1.416 57.772 56.400 -0.074 0.000 0.819 53 E CB -0.808 28.937 29.700 0.075 0.000 0.735 53 E HN 0.611 nan 8.360 nan 0.000 0.469 54 G N 0.811 109.541 108.800 -0.117 0.000 2.402 54 G HA2 -0.211 3.752 3.960 0.005 0.000 0.216 54 G HA3 -0.211 3.752 3.960 0.005 0.000 0.216 54 G C 1.560 176.372 174.900 -0.146 0.000 1.162 54 G CA 0.848 45.896 45.100 -0.087 0.000 0.777 54 G HN 0.272 nan 8.290 nan 0.000 0.539 55 I N 1.420 121.870 120.570 -0.201 0.000 2.226 55 I HA -0.175 3.998 4.170 0.005 0.000 0.245 55 I C 3.244 179.152 176.117 -0.349 0.000 1.100 55 I CA 1.031 62.200 61.300 -0.218 0.000 1.374 55 I CB -0.279 37.619 38.000 -0.171 0.000 1.057 55 I HN 0.238 nan 8.210 nan 0.000 0.413 56 A N 0.180 122.645 122.820 -0.591 0.000 2.070 56 A HA -0.164 4.159 4.320 0.005 0.000 0.220 56 A C 2.177 179.455 177.584 -0.509 0.000 1.159 56 A CA 1.285 52.907 52.037 -0.692 0.000 0.656 56 A CB -0.335 18.046 19.000 -1.032 0.000 0.800 56 A HN 0.306 nan 8.150 nan 0.000 0.453 57 E N 0.212 120.225 120.200 -0.310 0.000 2.106 57 E HA -0.162 4.191 4.350 0.005 0.000 0.192 57 E C 1.932 178.452 176.600 -0.133 0.000 0.984 57 E CA 1.005 57.307 56.400 -0.163 0.000 0.806 57 E CB -0.410 29.240 29.700 -0.083 0.000 0.750 57 E HN 0.763 nan 8.360 nan 0.000 0.458 58 Q N 0.424 120.141 119.800 -0.137 0.000 2.508 58 Q HA -0.084 4.260 4.340 0.005 0.000 0.214 58 Q C 0.053 175.991 176.000 -0.103 0.000 0.979 58 Q CA 0.178 55.923 55.803 -0.096 0.000 0.911 58 Q CB -0.130 28.560 28.738 -0.081 0.000 0.969 58 Q HN 0.132 nan 8.270 nan 0.000 0.504 59 N N 0.347 118.955 118.700 -0.154 0.000 2.735 59 N HA -0.176 4.567 4.740 0.005 0.000 0.248 59 N C -1.020 174.423 175.510 -0.111 0.000 1.083 59 N CA 0.639 53.604 53.050 -0.142 0.000 0.703 59 N CB -1.373 37.064 38.487 -0.083 0.000 1.005 59 N HN 0.442 nan 8.380 nan 0.000 0.550 60 I N -2.571 117.925 120.570 -0.123 0.000 2.440 60 I HA 0.603 4.777 4.170 0.005 0.000 0.294 60 I C -1.919 174.158 176.117 -0.067 0.000 0.995 60 I CA -2.125 59.128 61.300 -0.079 0.000 1.306 60 I CB 0.869 38.832 38.000 -0.062 0.000 1.407 60 I HN -0.149 nan 8.210 nan 0.000 0.501 61 P HA 0.129 nan 4.420 nan 0.000 0.263 61 P C -0.866 176.460 177.300 0.045 0.000 1.168 61 P CA 0.675 63.772 63.100 -0.006 0.000 0.759 61 P CB 0.094 31.791 31.700 -0.006 0.000 0.782 62 I N 2.262 122.883 120.570 0.086 0.000 2.690 62 I HA 0.090 4.264 4.170 0.005 0.000 0.286 62 I C -0.622 175.605 176.117 0.183 0.000 1.313 62 I CA -1.086 60.341 61.300 0.211 0.000 1.070 62 I CB 1.118 39.204 38.000 0.142 0.000 1.323 62 I HN 0.215 nan 8.210 nan 0.000 0.432 63 Y N 5.932 126.328 120.300 0.161 0.000 2.881 63 Y HA 0.232 4.786 4.550 0.006 0.000 0.335 63 Y C 1.418 177.262 175.900 -0.092 0.000 1.263 63 Y CA 2.029 60.132 58.100 0.004 0.000 1.572 63 Y CB 0.451 38.944 38.460 0.054 0.000 1.237 63 Y HN 0.905 nan 8.280 nan 0.000 0.568 64 G N 3.099 111.323 108.800 -0.959 0.000 2.458 64 G HA2 -0.364 3.599 3.960 0.005 0.000 0.237 64 G HA3 -0.364 3.599 3.960 0.005 0.000 0.237 64 G C 0.909 175.612 174.900 -0.328 0.000 1.113 64 G CA 0.646 45.170 45.100 -0.961 0.000 0.655 64 G HN 0.752 nan 8.290 nan 0.000 0.513 65 V N 1.050 120.902 119.914 -0.102 0.000 2.302 65 V HA 0.140 4.264 4.120 0.005 0.000 0.243 65 V C 2.226 178.336 176.094 0.028 0.000 1.036 65 V CA 2.817 65.167 62.300 0.083 0.000 1.020 65 V CB -0.396 31.520 31.823 0.155 0.000 0.657 65 V HN 1.108 nan 8.190 nan 0.000 0.453 66 T N -1.733 112.787 114.554 -0.056 0.000 3.487 66 T HA 0.442 4.795 4.350 0.005 0.000 0.287 66 T C 0.008 174.663 174.700 -0.075 0.000 1.004 66 T CA 0.329 62.394 62.100 -0.059 0.000 0.977 66 T CB 0.021 68.834 68.868 -0.092 0.000 1.180 66 T HN 0.603 nan 8.240 nan 0.000 0.490 67 T N -2.626 111.835 114.554 -0.155 0.000 2.769 67 T HA 0.735 5.089 4.350 0.005 0.000 0.306 67 T C 0.427 174.911 174.700 -0.359 0.000 1.400 67 T CA -0.330 61.667 62.100 -0.172 0.000 1.007 67 T CB 1.164 69.995 68.868 -0.062 0.000 1.392 67 T HN 0.320 nan 8.240 nan 0.000 0.500 68 G N -0.559 108.078 108.800 -0.271 0.000 2.611 68 G HA2 0.511 4.474 3.960 0.005 0.000 0.273 68 G HA3 0.511 4.474 3.960 0.005 0.000 0.273 68 G C -1.376 173.284 174.900 -0.400 0.000 1.305 68 G CA -0.585 44.351 45.100 -0.273 0.000 1.010 68 G HN 0.659 nan 8.290 nan 0.000 0.509 69 Y N -0.675 119.613 120.300 -0.020 0.000 2.393 69 Y HA 0.523 5.076 4.550 0.005 0.000 0.341 69 Y C 1.069 177.093 175.900 0.207 0.000 0.988 69 Y CA 0.287 58.425 58.100 0.063 0.000 1.078 69 Y CB 1.748 40.152 38.460 -0.094 0.000 1.203 69 Y HN 1.167 nan 8.280 nan 0.000 0.453 70 G N 1.714 110.800 108.800 0.477 0.000 2.565 70 G HA2 -0.338 3.625 3.960 0.005 0.000 0.295 70 G HA3 -0.338 3.625 3.960 0.005 0.000 0.295 70 G C 1.187 176.208 174.900 0.202 0.000 1.165 70 G CA 0.552 45.807 45.100 0.258 0.000 0.977 70 G HN 1.201 nan 8.290 nan 0.000 0.546 71 A N -0.278 122.658 122.820 0.194 0.000 2.172 71 A HA 0.289 4.612 4.320 0.005 0.000 0.216 71 A C 2.274 180.074 177.584 0.360 0.000 1.154 71 A CA 2.187 54.373 52.037 0.249 0.000 0.701 71 A CB -0.424 18.711 19.000 0.224 0.000 0.789 71 A HN 0.669 nan 8.150 nan 0.000 0.465 72 M N -0.795 118.879 119.600 0.124 0.000 2.628 72 M HA 0.187 4.671 4.480 0.005 0.000 0.232 72 M C 1.607 177.684 176.300 -0.371 0.000 1.128 72 M CA 0.391 55.498 55.300 -0.321 0.000 1.040 72 M CB -0.726 31.783 32.600 -0.152 0.000 1.608 72 M HN 0.468 nan 8.290 nan 0.000 0.507 73 I N 1.405 121.974 120.570 -0.003 0.000 2.399 73 I HA -0.330 3.843 4.170 0.005 0.000 0.254 73 I C 2.307 178.438 176.117 0.024 0.000 1.146 73 I CA 1.597 62.944 61.300 0.078 0.000 1.412 73 I CB -0.075 38.012 38.000 0.146 0.000 1.076 73 I HN 0.371 nan 8.210 nan 0.000 0.432 74 Y N -0.976 119.358 120.300 0.056 0.000 2.497 74 Y HA 0.094 4.647 4.550 0.005 0.000 0.292 74 Y C 1.026 176.945 175.900 0.032 0.000 1.137 74 Y CA -0.181 57.941 58.100 0.037 0.000 1.285 74 Y CB -0.948 37.531 38.460 0.031 0.000 0.991 74 Y HN -0.056 nan 8.280 nan 0.000 0.556 75 M N 2.704 122.059 119.600 -0.408 0.000 2.216 75 M HA 0.219 4.702 4.480 0.005 0.000 0.356 75 M C -0.636 175.594 176.300 -0.116 0.000 1.205 75 M CA -0.170 54.986 55.300 -0.239 0.000 1.122 75 M CB 1.139 33.540 32.600 -0.332 0.000 1.571 75 M HN 0.251 nan 8.290 nan 0.000 0.464 76 Q N 3.033 122.803 119.800 -0.050 0.000 2.348 76 Q HA 0.493 4.837 4.340 0.005 0.000 0.265 76 Q C -0.852 175.131 176.000 -0.028 0.000 0.998 76 Q CA -0.550 55.232 55.803 -0.034 0.000 0.831 76 Q CB 1.780 30.512 28.738 -0.010 0.000 1.251 76 Q HN 0.467 nan 8.270 nan 0.000 0.456 77 V N 2.578 122.472 119.914 -0.032 0.000 2.348 77 V HA 0.081 4.204 4.120 0.005 0.000 0.270 77 V C 0.545 176.648 176.094 0.015 0.000 1.037 77 V CA -0.722 61.575 62.300 -0.004 0.000 0.872 77 V CB 1.138 32.963 31.823 0.004 0.000 1.002 77 V HN 0.673 nan 8.190 nan 0.000 0.464 78 D N 4.423 124.836 120.400 0.022 0.000 2.488 78 D HA -0.027 4.617 4.640 0.005 0.000 0.238 78 D C 1.294 177.639 176.300 0.074 0.000 1.138 78 D CA -0.167 53.851 54.000 0.029 0.000 0.873 78 D CB 1.186 42.001 40.800 0.024 0.000 1.183 78 D HN 0.730 nan 8.370 nan 0.000 0.458 79 K N 1.039 121.485 120.400 0.077 0.000 2.189 79 K HA -0.259 4.064 4.320 0.005 0.000 0.207 79 K C 1.606 178.365 176.600 0.266 0.000 1.046 79 K CA 1.902 58.318 56.287 0.214 0.000 0.928 79 K CB -0.537 32.035 32.500 0.120 0.000 0.720 79 K HN 0.321 nan 8.250 nan 0.000 0.458 80 S N 0.239 116.017 115.700 0.130 0.000 2.559 80 S HA -0.062 4.411 4.470 0.005 0.000 0.250 80 S C 0.866 175.498 174.600 0.053 0.000 0.977 80 S CA 0.708 58.956 58.200 0.080 0.000 0.958 80 S CB -0.137 63.091 63.200 0.046 0.000 0.751 80 S HN 0.266 nan 8.310 nan 0.000 0.534 81 K N 0.853 121.301 120.400 0.079 0.000 2.536 81 K HA 0.217 4.540 4.320 0.005 0.000 0.203 81 K C 1.300 177.908 176.600 0.013 0.000 1.063 81 K CA 0.296 56.604 56.287 0.034 0.000 1.063 81 K CB 0.190 32.719 32.500 0.047 0.000 0.843 81 K HN 0.702 nan 8.250 nan 0.000 0.521 82 E N 1.198 121.380 120.200 -0.029 0.000 2.108 82 E HA -0.220 4.134 4.350 0.005 0.000 0.203 82 E C 1.336 177.758 176.600 -0.297 0.000 1.022 82 E CA 1.906 58.090 56.400 -0.361 0.000 0.823 82 E CB -0.059 28.510 29.700 -1.886 0.000 0.744 82 E HN -0.047 nan 8.360 nan 0.000 0.456 83 V N 1.236 120.994 119.914 -0.260 0.000 2.244 83 V HA -0.237 3.886 4.120 0.005 0.000 0.244 83 V C 2.541 178.580 176.094 -0.091 0.000 1.042 83 V CA 2.239 64.436 62.300 -0.172 0.000 1.006 83 V CB -0.699 31.038 31.823 -0.143 0.000 0.641 83 V HN 0.378 nan 8.190 nan 0.000 0.446 84 E N -0.232 119.932 120.200 -0.060 0.000 2.033 84 E HA -0.298 4.056 4.350 0.005 0.000 0.199 84 E C 2.271 178.865 176.600 -0.010 0.000 1.011 84 E CA 2.037 58.419 56.400 -0.031 0.000 0.815 84 E CB -0.255 29.436 29.700 -0.015 0.000 0.755 84 E HN 0.403 nan 8.360 nan 0.000 0.451 85 L N 1.236 122.473 121.223 0.023 0.000 1.991 85 L HA -0.320 4.023 4.340 0.005 0.000 0.221 85 L C 2.525 179.434 176.870 0.066 0.000 1.079 85 L CA 1.977 56.866 54.840 0.082 0.000 0.778 85 L CB -0.322 41.814 42.059 0.128 0.000 0.893 85 L HN 0.223 nan 8.230 nan 0.000 0.437 86 Q N -1.266 118.556 119.800 0.037 0.000 2.291 86 Q HA -0.145 4.198 4.340 0.005 0.000 0.206 86 Q C 2.045 178.004 176.000 -0.067 0.000 0.976 86 Q CA 1.904 57.704 55.803 -0.005 0.000 0.875 86 Q CB -0.403 28.326 28.738 -0.014 0.000 0.927 86 Q HN 0.624 nan 8.270 nan 0.000 0.450 87 T N 1.251 115.769 114.554 -0.060 0.000 2.852 87 T HA -0.009 4.345 4.350 0.005 0.000 0.256 87 T C 1.545 176.199 174.700 -0.077 0.000 1.038 87 T CA 0.667 62.724 62.100 -0.070 0.000 1.141 87 T CB -0.040 68.792 68.868 -0.059 0.000 0.869 87 T HN 0.264 nan 8.240 nan 0.000 0.439 88 N N 1.769 120.432 118.700 -0.062 0.000 2.166 88 N HA -0.049 4.694 4.740 0.005 0.000 0.186 88 N C 1.828 177.280 175.510 -0.096 0.000 1.019 88 N CA 0.703 53.718 53.050 -0.057 0.000 0.856 88 N CB -0.608 37.865 38.487 -0.023 0.000 0.993 88 N HN 0.209 nan 8.380 nan 0.000 0.426 89 L N 1.209 122.314 121.223 -0.198 0.000 1.989 89 L HA -0.094 4.249 4.340 0.005 0.000 0.211 89 L C 2.121 178.847 176.870 -0.240 0.000 1.071 89 L CA 1.344 55.951 54.840 -0.388 0.000 0.749 89 L CB -0.622 40.945 42.059 -0.820 0.000 0.890 89 L HN -0.110 nan 8.230 nan 0.000 0.431 90 V N 0.055 119.852 119.914 -0.195 0.000 2.490 90 V HA -0.254 3.869 4.120 0.005 0.000 0.250 90 V C 2.718 178.752 176.094 -0.099 0.000 1.061 90 V CA 1.985 64.203 62.300 -0.136 0.000 1.064 90 V CB -0.674 31.077 31.823 -0.119 0.000 0.670 90 V HN 0.469 nan 8.190 nan 0.000 0.461 91 R N 0.585 121.031 120.500 -0.090 0.000 2.055 91 R HA -0.093 4.250 4.340 0.005 0.000 0.228 91 R C 2.632 178.895 176.300 -0.062 0.000 1.143 91 R CA 1.650 57.699 56.100 -0.085 0.000 0.945 91 R CB -0.867 29.390 30.300 -0.072 0.000 0.841 91 R HN 0.654 nan 8.270 nan 0.000 0.429 92 S N 0.519 116.202 115.700 -0.029 0.000 2.419 92 S HA -0.170 4.303 4.470 0.005 0.000 0.235 92 S C 1.426 175.991 174.600 -0.058 0.000 1.019 92 S CA 1.329 59.512 58.200 -0.027 0.000 0.982 92 S CB -0.385 62.814 63.200 -0.001 0.000 0.789 92 S HN 0.396 nan 8.310 nan 0.000 0.490 93 H N 0.702 119.702 119.070 -0.117 0.000 2.526 93 H HA 0.433 4.992 4.556 0.005 0.000 0.274 93 H C 0.438 175.719 175.328 -0.077 0.000 0.999 93 H CA 0.159 56.150 56.048 -0.095 0.000 1.157 93 H CB 0.091 29.777 29.762 -0.127 0.000 1.407 93 H HN 0.309 nan 8.280 nan 0.000 0.568 94 S N 0.845 116.515 115.700 -0.050 0.000 3.324 94 S HA 0.290 4.764 4.470 0.005 0.000 0.229 94 S C 0.911 175.490 174.600 -0.036 0.000 1.417 94 S CA 0.016 58.096 58.200 -0.199 0.000 1.211 94 S CB -0.259 62.698 63.200 -0.406 0.000 1.157 94 S HN 0.464 nan 8.310 nan 0.000 0.491 95 A N 1.274 124.138 122.820 0.074 0.000 3.012 95 A HA 0.549 4.872 4.320 0.005 0.000 0.295 95 A C 0.976 178.656 177.584 0.161 0.000 1.338 95 A CA -0.537 51.556 52.037 0.092 0.000 0.981 95 A CB -0.271 18.728 19.000 -0.001 0.000 1.091 95 A HN 0.533 nan 8.150 nan 0.000 0.602 96 G N 0.223 109.242 108.800 0.366 0.000 2.378 96 G HA2 0.483 4.446 3.960 0.005 0.000 0.255 96 G HA3 0.483 4.446 3.960 0.005 0.000 0.255 96 G C 0.105 175.022 174.900 0.029 0.000 1.270 96 G CA 0.528 45.713 45.100 0.142 0.000 0.876 96 G HN 1.096 nan 8.290 nan 0.000 0.521 97 V N 0.518 120.421 119.914 -0.019 0.000 3.155 97 V HA 1.040 5.163 4.120 0.005 0.000 0.313 97 V C 0.826 176.871 176.094 -0.080 0.000 1.162 97 V CA 0.039 62.316 62.300 -0.038 0.000 1.048 97 V CB 1.062 32.874 31.823 -0.019 0.000 1.092 97 V HN 2.384 nan 8.190 nan 0.000 0.447 98 G N 0.915 109.666 108.800 -0.082 0.000 2.660 98 G HA2 -0.013 3.950 3.960 0.005 0.000 0.215 98 G HA3 -0.013 3.950 3.960 0.005 0.000 0.215 98 G C -2.645 172.172 174.900 -0.138 0.000 1.345 98 G CA -0.239 44.796 45.100 -0.107 0.000 0.877 98 G HN 1.131 nan 8.290 nan 0.000 0.549 99 P HA 0.492 nan 4.420 nan 0.000 0.272 99 P C 0.032 177.193 177.300 -0.232 0.000 1.230 99 P CA -0.312 62.682 63.100 -0.176 0.000 0.788 99 P CB 0.497 32.091 31.700 -0.177 0.000 0.949 100 L N 1.324 122.445 121.223 -0.170 0.000 2.312 100 L HA 0.329 4.672 4.340 0.005 0.000 0.281 100 L C 0.949 177.751 176.870 -0.112 0.000 1.070 100 L CA -0.823 53.939 54.840 -0.129 0.000 0.805 100 L CB -0.042 41.983 42.059 -0.057 0.000 1.174 100 L HN 0.269 nan 8.230 nan 0.000 0.434 101 F N 1.393 121.321 119.950 -0.037 0.000 2.545 101 F HA 0.154 4.684 4.527 0.005 0.000 0.348 101 F C 1.144 176.937 175.800 -0.011 0.000 1.163 101 F CA 0.100 58.089 58.000 -0.020 0.000 1.331 101 F CB 0.598 39.590 39.000 -0.014 0.000 1.138 101 F HN 0.561 nan 8.300 nan 0.000 0.602 102 A N 2.102 125.058 122.820 0.227 0.000 2.346 102 A HA 0.099 4.423 4.320 0.005 0.000 0.252 102 A C 1.500 179.148 177.584 0.107 0.000 1.089 102 A CA -0.239 51.870 52.037 0.121 0.000 0.797 102 A CB 0.172 19.230 19.000 0.095 0.000 1.047 102 A HN 0.935 nan 8.150 nan 0.000 0.494 103 E N -0.088 120.151 120.200 0.065 0.000 2.070 103 E HA -0.304 4.049 4.350 0.005 0.000 0.197 103 E C 1.325 177.949 176.600 0.040 0.000 1.004 103 E CA 2.132 58.561 56.400 0.048 0.000 0.805 103 E CB -0.168 29.550 29.700 0.031 0.000 0.744 103 E HN 0.868 nan 8.360 nan 0.000 0.451 104 D N -0.043 120.379 120.400 0.038 0.000 2.117 104 D HA -0.199 4.445 4.640 0.005 0.000 0.197 104 D C 1.693 178.002 176.300 0.015 0.000 0.987 104 D CA 1.365 55.381 54.000 0.026 0.000 0.829 104 D CB -0.552 40.264 40.800 0.027 0.000 0.961 104 D HN 0.301 nan 8.370 nan 0.000 0.460 105 E N 0.476 120.696 120.200 0.033 0.000 2.038 105 E HA -0.195 4.158 4.350 0.005 0.000 0.195 105 E C 2.272 178.804 176.600 -0.113 0.000 1.000 105 E CA 1.456 57.846 56.400 -0.016 0.000 0.803 105 E CB -0.274 29.496 29.700 0.117 0.000 0.750 105 E HN 0.411 nan 8.360 nan 0.000 0.448 106 A N 1.284 124.077 122.820 -0.044 0.000 1.865 106 A HA -0.228 4.095 4.320 0.005 0.000 0.217 106 A C 2.080 179.641 177.584 -0.039 0.000 1.191 106 A CA 1.650 53.654 52.037 -0.054 0.000 0.623 106 A CB -0.548 18.476 19.000 0.040 0.000 0.826 106 A HN 0.086 nan 8.150 nan 0.000 0.444 107 R N -0.723 119.774 120.500 -0.004 0.000 2.117 107 R HA -0.170 4.173 4.340 0.005 0.000 0.243 107 R C 2.396 178.688 176.300 -0.013 0.000 1.143 107 R CA 1.302 57.405 56.100 0.006 0.000 0.968 107 R CB -0.473 29.836 30.300 0.015 0.000 0.863 107 R HN 0.547 nan 8.270 nan 0.000 0.444 108 A N 0.641 123.442 122.820 -0.032 0.000 1.972 108 A HA -0.127 4.196 4.320 0.005 0.000 0.219 108 A C 2.047 179.595 177.584 -0.059 0.000 1.169 108 A CA 1.141 53.154 52.037 -0.039 0.000 0.635 108 A CB -0.319 18.655 19.000 -0.044 0.000 0.810 108 A HN 0.211 nan 8.150 nan 0.000 0.446 109 I N -1.047 119.467 120.570 -0.093 0.000 2.339 109 I HA -0.134 4.040 4.170 0.005 0.000 0.245 109 I C 2.283 178.367 176.117 -0.055 0.000 1.096 109 I CA 0.715 61.953 61.300 -0.103 0.000 1.408 109 I CB -0.271 37.623 38.000 -0.177 0.000 1.092 109 I HN 0.118 nan 8.210 nan 0.000 0.423 110 V N 1.368 121.263 119.914 -0.033 0.000 2.469 110 V HA -0.324 3.799 4.120 0.005 0.000 0.251 110 V C 2.666 178.752 176.094 -0.012 0.000 1.064 110 V CA 2.047 64.341 62.300 -0.009 0.000 1.066 110 V CB -0.927 30.912 31.823 0.027 0.000 0.667 110 V HN 0.486 nan 8.190 nan 0.000 0.461 111 A N -0.072 122.742 122.820 -0.011 0.000 1.855 111 A HA -0.077 4.247 4.320 0.005 0.000 0.215 111 A C 2.477 180.053 177.584 -0.014 0.000 1.191 111 A CA 1.885 53.917 52.037 -0.009 0.000 0.613 111 A CB -0.935 18.062 19.000 -0.005 0.000 0.829 111 A HN 0.575 nan 8.150 nan 0.000 0.442 112 A N -0.641 122.167 122.820 -0.019 0.000 1.958 112 A HA -0.240 4.083 4.320 0.005 0.000 0.221 112 A C 2.197 179.773 177.584 -0.015 0.000 1.178 112 A CA 2.329 54.356 52.037 -0.017 0.000 0.642 112 A CB -0.456 18.530 19.000 -0.024 0.000 0.816 112 A HN 0.371 nan 8.150 nan 0.000 0.453 113 R N -0.785 119.703 120.500 -0.020 0.000 2.090 113 R HA 0.015 4.359 4.340 0.005 0.000 0.228 113 R C 1.931 178.216 176.300 -0.025 0.000 1.110 113 R CA 1.329 57.417 56.100 -0.020 0.000 0.973 113 R CB -1.051 29.234 30.300 -0.025 0.000 0.869 113 R HN 0.514 nan 8.270 nan 0.000 0.440 114 L N 0.565 121.772 121.223 -0.027 0.000 2.027 114 L HA -0.057 4.286 4.340 0.005 0.000 0.206 114 L C 1.759 178.615 176.870 -0.023 0.000 1.074 114 L CA 2.074 56.896 54.840 -0.031 0.000 0.745 114 L CB -0.811 41.231 42.059 -0.028 0.000 0.898 114 L HN 0.210 nan 8.230 nan 0.000 0.433 115 N N -1.541 117.150 118.700 -0.014 0.000 2.205 115 N HA -0.192 4.552 4.740 0.005 0.000 0.186 115 N C 1.559 177.067 175.510 -0.003 0.000 1.015 115 N CA 1.868 54.914 53.050 -0.007 0.000 0.862 115 N CB -0.074 38.412 38.487 -0.002 0.000 0.986 115 N HN 0.450 nan 8.380 nan 0.000 0.429 116 T N 0.350 114.902 114.554 -0.004 0.000 2.732 116 T HA -0.015 4.339 4.350 0.005 0.000 0.261 116 T C 1.790 176.489 174.700 -0.002 0.000 1.040 116 T CA 0.888 62.991 62.100 0.005 0.000 1.145 116 T CB -0.289 68.583 68.868 0.007 0.000 0.866 116 T HN 0.172 nan 8.240 nan 0.000 0.427 117 L N 0.939 122.149 121.223 -0.021 0.000 2.265 117 L HA -0.051 4.293 4.340 0.005 0.000 0.215 117 L C 2.926 179.766 176.870 -0.050 0.000 1.117 117 L CA 0.850 55.665 54.840 -0.041 0.000 0.782 117 L CB -0.675 41.351 42.059 -0.055 0.000 0.914 117 L HN 0.259 nan 8.230 nan 0.000 0.441 118 A N 0.070 122.868 122.820 -0.037 0.000 2.067 118 A HA -0.218 4.105 4.320 0.005 0.000 0.219 118 A C 2.272 179.830 177.584 -0.045 0.000 1.158 118 A CA 1.470 53.483 52.037 -0.040 0.000 0.661 118 A CB -0.290 18.695 19.000 -0.025 0.000 0.801 118 A HN 0.219 nan 8.150 nan 0.000 0.452 119 K N -0.697 119.691 120.400 -0.020 0.000 2.113 119 K HA -0.081 4.242 4.320 0.005 0.000 0.208 119 K C 1.094 177.602 176.600 -0.154 0.000 1.047 119 K CA 1.409 57.699 56.287 0.005 0.000 0.928 119 K CB -0.459 32.119 32.500 0.129 0.000 0.716 119 K HN 0.975 nan 8.250 nan 0.000 0.446 120 G N -0.867 107.816 108.800 -0.195 0.000 2.140 120 G HA2 -0.232 3.731 3.960 0.005 0.000 0.211 120 G HA3 -0.232 3.731 3.960 0.005 0.000 0.211 120 G C 0.005 174.610 174.900 -0.492 0.000 1.013 120 G CA 0.464 45.375 45.100 -0.316 0.000 0.705 120 G HN 0.588 nan 8.290 nan 0.000 0.508 121 H N -0.728 118.266 119.070 -0.128 0.000 3.058 121 H HA 0.332 4.891 4.556 0.006 0.000 0.266 121 H C 2.084 177.300 175.328 -0.187 0.000 1.135 121 H CA 0.666 56.583 56.048 -0.218 0.000 1.174 121 H CB 0.920 30.456 29.762 -0.377 0.000 1.581 121 H HN 0.298 nan 8.280 nan 0.000 0.553 122 S N 0.579 116.227 115.700 -0.086 0.000 2.558 122 S HA 0.221 4.694 4.470 0.005 0.000 0.217 122 S C 1.537 175.969 174.600 -0.280 0.000 0.975 122 S CA 0.495 58.615 58.200 -0.133 0.000 0.912 122 S CB 0.247 63.391 63.200 -0.095 0.000 0.776 122 S HN 0.595 nan 8.310 nan 0.000 0.526 123 A N 0.999 123.620 122.820 -0.331 0.000 2.783 123 A HA -0.145 4.178 4.320 0.005 0.000 0.292 123 A C 0.537 177.867 177.584 -0.423 0.000 1.495 123 A CA 0.720 52.429 52.037 -0.546 0.000 0.787 123 A CB -2.451 15.870 19.000 -1.131 0.000 1.017 123 A HN 0.938 nan 8.150 nan 0.000 0.516 124 V N -3.270 116.494 119.914 -0.250 0.000 2.713 124 V HA 0.725 4.849 4.120 0.005 0.000 0.307 124 V C 0.741 176.766 176.094 -0.115 0.000 1.052 124 V CA -1.274 60.931 62.300 -0.159 0.000 0.967 124 V CB 1.247 32.995 31.823 -0.125 0.000 1.019 124 V HN 0.480 nan 8.190 nan 0.000 0.459 125 R N 2.858 123.312 120.500 -0.077 0.000 2.623 125 R HA 0.183 4.526 4.340 0.005 0.000 0.271 125 R C -1.684 174.576 176.300 -0.067 0.000 1.043 125 R CA -0.930 55.134 56.100 -0.060 0.000 1.083 125 R CB 0.400 30.673 30.300 -0.045 0.000 0.974 125 R HN 0.569 nan 8.270 nan 0.000 0.436 126 P HA -0.185 nan 4.420 nan 0.000 0.219 126 P C 1.074 178.342 177.300 -0.054 0.000 1.146 126 P CA 0.818 63.885 63.100 -0.056 0.000 0.808 126 P CB 0.112 31.785 31.700 -0.045 0.000 0.779 127 I N -0.696 119.843 120.570 -0.052 0.000 2.567 127 I HA -0.186 3.987 4.170 0.005 0.000 0.257 127 I C 1.746 177.820 176.117 -0.072 0.000 1.184 127 I CA 1.012 62.280 61.300 -0.053 0.000 1.451 127 I CB -0.981 36.990 38.000 -0.048 0.000 1.089 127 I HN -0.130 nan 8.210 nan 0.000 0.441 128 I N -0.315 120.207 120.570 -0.079 0.000 2.202 128 I HA -0.255 3.918 4.170 0.005 0.000 0.242 128 I C 2.340 178.396 176.117 -0.102 0.000 1.091 128 I CA 1.297 62.538 61.300 -0.098 0.000 1.368 128 I CB -1.283 36.662 38.000 -0.092 0.000 1.058 128 I HN 0.167 nan 8.210 nan 0.000 0.410 129 L N 0.403 121.577 121.223 -0.081 0.000 2.217 129 L HA -0.114 4.229 4.340 0.005 0.000 0.211 129 L C 2.352 179.184 176.870 -0.063 0.000 1.107 129 L CA 1.339 56.137 54.840 -0.070 0.000 0.783 129 L CB -0.802 41.223 42.059 -0.058 0.000 0.919 129 L HN 0.216 nan 8.230 nan 0.000 0.442 130 E N -0.704 119.460 120.200 -0.059 0.000 2.107 130 E HA -0.181 4.172 4.350 0.005 0.000 0.191 130 E C 2.221 178.789 176.600 -0.054 0.000 0.982 130 E CA 0.396 56.770 56.400 -0.044 0.000 0.809 130 E CB 0.019 29.698 29.700 -0.034 0.000 0.756 130 E HN 0.161 nan 8.360 nan 0.000 0.459 131 R N 0.928 121.369 120.500 -0.099 0.000 2.090 131 R HA -0.032 4.311 4.340 0.005 0.000 0.228 131 R C 1.909 178.040 176.300 -0.282 0.000 1.110 131 R CA 1.138 57.135 56.100 -0.171 0.000 0.973 131 R CB -0.388 29.777 30.300 -0.226 0.000 0.869 131 R HN 0.155 nan 8.270 nan 0.000 0.440 132 L N -0.498 120.590 121.223 -0.225 0.000 2.044 132 L HA 0.047 4.391 4.340 0.005 0.000 0.205 132 L C 2.393 179.232 176.870 -0.052 0.000 1.075 132 L CA 1.213 55.940 54.840 -0.189 0.000 0.747 132 L CB -0.623 41.357 42.059 -0.132 0.000 0.903 132 L HN 0.268 nan 8.230 nan 0.000 0.435 133 A N -0.834 121.966 122.820 -0.034 0.000 2.024 133 A HA -0.255 4.068 4.320 0.005 0.000 0.220 133 A C 2.235 179.842 177.584 0.039 0.000 1.164 133 A CA 1.581 53.620 52.037 0.003 0.000 0.643 133 A CB -0.438 18.558 19.000 -0.007 0.000 0.806 133 A HN 0.482 nan 8.150 nan 0.000 0.451 134 Q N -1.620 118.213 119.800 0.056 0.000 1.969 134 Q HA -0.177 4.166 4.340 0.005 0.000 0.198 134 Q C 1.842 177.960 176.000 0.196 0.000 0.978 134 Q CA 1.495 57.365 55.803 0.111 0.000 0.830 134 Q CB -0.313 28.502 28.738 0.128 0.000 0.896 134 Q HN 0.656 nan 8.270 nan 0.000 0.431 135 Y N 1.064 121.360 120.300 -0.006 0.000 2.096 135 Y HA -0.327 4.227 4.550 0.005 0.000 0.276 135 Y C 2.229 178.128 175.900 -0.001 0.000 1.209 135 Y CA 1.373 59.472 58.100 -0.002 0.000 1.137 135 Y CB -0.828 37.631 38.460 -0.002 0.000 0.956 135 Y HN 0.193 nan 8.280 nan 0.000 0.506 136 L N -0.552 120.773 121.223 0.170 0.000 2.131 136 L HA -0.256 4.087 4.340 0.005 0.000 0.210 136 L C 1.702 178.604 176.870 0.054 0.000 1.092 136 L CA 1.671 56.563 54.840 0.086 0.000 0.759 136 L CB -0.490 41.605 42.059 0.060 0.000 0.903 136 L HN 0.329 nan 8.230 nan 0.000 0.435 137 N N -0.938 117.796 118.700 0.056 0.000 2.422 137 N HA -0.067 4.677 4.740 0.005 0.000 0.181 137 N C 0.620 176.144 175.510 0.024 0.000 1.080 137 N CA 0.237 53.308 53.050 0.034 0.000 0.893 137 N CB 0.352 38.858 38.487 0.032 0.000 0.973 137 N HN 0.299 nan 8.380 nan 0.000 0.456 138 E N 0.110 120.326 120.200 0.025 0.000 2.585 138 E HA 0.123 4.477 4.350 0.005 0.000 0.206 138 E C 0.247 176.828 176.600 -0.031 0.000 1.007 138 E CA -0.405 55.993 56.400 -0.003 0.000 1.028 138 E CB 0.731 30.429 29.700 -0.004 0.000 1.087 138 E HN 0.294 nan 8.360 nan 0.000 0.455 139 G N 2.476 111.265 108.800 -0.018 0.000 2.321 139 G HA2 -0.290 3.674 3.960 0.005 0.000 0.287 139 G HA3 -0.290 3.674 3.960 0.005 0.000 0.287 139 G C 0.158 175.020 174.900 -0.064 0.000 1.018 139 G CA 0.558 45.641 45.100 -0.028 0.000 0.855 139 G HN 0.353 nan 8.290 nan 0.000 0.507 140 I N 1.549 122.052 120.570 -0.111 0.000 2.361 140 I HA 0.529 4.702 4.170 0.005 0.000 0.282 140 I C 0.298 176.335 176.117 -0.133 0.000 1.075 140 I CA -0.544 60.620 61.300 -0.227 0.000 1.205 140 I CB 0.770 38.422 38.000 -0.579 0.000 1.406 140 I HN 0.007 nan 8.210 nan 0.000 0.481 141 T N 8.802 123.327 114.554 -0.048 0.000 2.799 141 T HA 0.507 4.860 4.350 0.005 0.000 0.286 141 T C -2.501 172.228 174.700 0.049 0.000 0.973 141 T CA -1.051 61.064 62.100 0.025 0.000 1.035 141 T CB 1.236 70.123 68.868 0.031 0.000 0.932 141 T HN 0.316 nan 8.240 nan 0.000 0.469 142 P HA 0.399 nan 4.420 nan 0.000 0.276 142 P C -1.210 176.167 177.300 0.128 0.000 1.252 142 P CA -0.695 62.483 63.100 0.131 0.000 0.802 142 P CB 0.484 32.281 31.700 0.163 0.000 1.035 143 A N 2.747 125.663 122.820 0.161 0.000 2.506 143 A HA 0.416 4.739 4.320 0.005 0.000 0.320 143 A C -0.036 177.615 177.584 0.112 0.000 1.424 143 A CA -0.410 51.712 52.037 0.140 0.000 1.044 143 A CB -1.111 17.995 19.000 0.176 0.000 1.140 143 A HN 0.415 nan 8.150 nan 0.000 0.538 144 I N 4.016 124.649 120.570 0.105 0.000 2.307 144 I HA 0.280 4.453 4.170 0.005 0.000 0.289 144 I C -2.445 173.708 176.117 0.062 0.000 1.021 144 I CA -2.184 59.176 61.300 0.100 0.000 1.224 144 I CB 1.730 39.869 38.000 0.232 0.000 1.376 144 I HN 0.319 nan 8.210 nan 0.000 0.470 145 P HA 0.123 nan 4.420 nan 0.000 0.276 145 P C 0.362 177.584 177.300 -0.130 0.000 1.235 145 P CA -0.153 62.821 63.100 -0.210 0.000 0.772 145 P CB 0.851 32.362 31.700 -0.314 0.000 0.871 146 E N 1.788 121.763 120.200 -0.375 0.000 2.153 146 E HA -0.092 4.262 4.350 0.005 0.000 0.194 146 E C 0.463 176.986 176.600 -0.129 0.000 0.988 146 E CA 0.914 56.970 56.400 -0.573 0.000 0.811 146 E CB 0.030 29.237 29.700 -0.821 0.000 0.746 146 E HN 0.457 nan 8.360 nan 0.000 0.466 147 I N -1.077 119.433 120.570 -0.099 0.000 2.525 147 I HA 0.311 4.484 4.170 0.005 0.000 0.301 147 I C 0.902 177.020 176.117 0.001 0.000 0.992 147 I CA -0.015 61.265 61.300 -0.033 0.000 1.162 147 I CB 2.068 40.039 38.000 -0.048 0.000 1.332 147 I HN 0.105 nan 8.210 nan 0.000 0.458 148 G N 2.992 111.805 108.800 0.021 0.000 3.033 148 G HA2 -0.187 3.777 3.960 0.005 0.000 0.208 148 G HA3 -0.187 3.777 3.960 0.005 0.000 0.208 148 G C 0.235 175.157 174.900 0.036 0.000 1.006 148 G CA 0.026 45.144 45.100 0.031 0.000 0.808 148 G HN 0.615 nan 8.290 nan 0.000 0.499 149 S N 0.321 116.048 115.700 0.046 0.000 2.545 149 S HA 0.628 5.101 4.470 0.005 0.000 0.275 149 S C 1.197 175.802 174.600 0.010 0.000 1.299 149 S CA -0.393 57.828 58.200 0.035 0.000 1.048 149 S CB 0.992 64.221 63.200 0.049 0.000 0.938 149 S HN 0.356 nan 8.310 nan 0.000 0.496 150 L N 4.273 125.489 121.223 -0.011 0.000 2.693 150 L HA 0.368 4.711 4.340 0.005 0.000 0.235 150 L C 1.346 178.173 176.870 -0.073 0.000 1.127 150 L CA 0.270 55.090 54.840 -0.034 0.000 0.914 150 L CB -0.671 41.367 42.059 -0.034 0.000 1.193 150 L HN 1.080 nan 8.230 nan 0.000 0.502 156 L N 0.611 121.849 121.223 0.026 0.000 1.943 156 L HA -0.195 4.149 4.340 0.005 0.000 0.215 156 L C 2.700 179.622 176.870 0.088 0.000 1.074 156 L CA 2.195 57.061 54.840 0.044 0.000 0.759 156 L CB -0.470 41.643 42.059 0.089 0.000 0.888 156 L HN 0.308 nan 8.230 nan 0.000 0.433 157 A N 0.530 123.419 122.820 0.116 0.000 1.859 157 A HA -0.188 4.135 4.320 0.005 0.000 0.218 157 A C 0.120 177.840 177.584 0.227 0.000 1.209 157 A CA 2.514 54.650 52.037 0.164 0.000 0.639 157 A CB -2.237 16.846 19.000 0.138 0.000 0.835 157 A HN 0.356 nan 8.150 nan 0.000 0.450 158 P HA -0.183 nan 4.420 nan 0.000 0.216 158 P C 1.431 178.819 177.300 0.146 0.000 1.157 158 P CA 1.416 64.611 63.100 0.158 0.000 0.880 158 P CB -0.261 31.513 31.700 0.125 0.000 0.791 159 L N -1.219 120.061 121.223 0.095 0.000 2.395 159 L HA 0.022 4.365 4.340 0.005 0.000 0.218 159 L C 2.622 179.529 176.870 0.061 0.000 1.130 159 L CA 0.754 55.630 54.840 0.059 0.000 0.826 159 L CB -0.733 41.339 42.059 0.022 0.000 0.941 159 L HN -0.039 nan 8.230 nan 0.000 0.451 160 S N -1.144 114.605 115.700 0.083 0.000 2.428 160 S HA -0.144 4.329 4.470 0.005 0.000 0.230 160 S C 1.754 176.352 174.600 -0.002 0.000 1.014 160 S CA 0.904 59.119 58.200 0.024 0.000 0.957 160 S CB -0.132 63.088 63.200 0.033 0.000 0.784 160 S HN 0.495 nan 8.310 nan 0.000 0.499 161 H N -0.317 118.777 119.070 0.041 0.000 2.372 161 H HA 0.142 4.701 4.556 0.005 0.000 0.301 161 H C 2.016 177.376 175.328 0.053 0.000 1.065 161 H CA 1.222 57.305 56.048 0.058 0.000 1.364 161 H CB -0.087 29.730 29.762 0.090 0.000 1.406 161 H HN 0.132 nan 8.280 nan 0.000 0.521 162 V N 0.424 120.437 119.914 0.166 0.000 2.515 162 V HA -0.203 3.920 4.120 0.005 0.000 0.250 162 V C 2.351 178.475 176.094 0.049 0.000 1.058 162 V CA 1.584 63.947 62.300 0.106 0.000 1.064 162 V CB -0.700 31.164 31.823 0.069 0.000 0.675 162 V HN 0.555 nan 8.190 nan 0.000 0.461 163 A N -1.484 121.345 122.820 0.015 0.000 2.067 163 A HA -0.112 4.211 4.320 0.005 0.000 0.217 163 A C 2.466 180.029 177.584 -0.035 0.000 1.156 163 A CA 1.574 53.592 52.037 -0.031 0.000 0.683 163 A CB -0.408 18.562 19.000 -0.050 0.000 0.808 163 A HN 0.428 nan 8.150 nan 0.000 0.455 164 S N -0.183 115.500 115.700 -0.028 0.000 2.368 164 S HA -0.143 4.331 4.470 0.005 0.000 0.224 164 S C 2.293 176.884 174.600 -0.015 0.000 1.029 164 S CA 2.151 60.320 58.200 -0.052 0.000 0.988 164 S CB -0.484 62.656 63.200 -0.100 0.000 0.838 164 S HN 0.862 nan 8.310 nan 0.000 0.462 165 T N 0.395 114.977 114.554 0.047 0.000 2.915 165 T HA 0.056 4.409 4.350 0.005 0.000 0.269 165 T C 1.756 176.543 174.700 0.145 0.000 1.071 165 T CA 0.831 62.999 62.100 0.113 0.000 1.132 165 T CB -0.492 68.504 68.868 0.213 0.000 0.878 165 T HN 0.322 nan 8.240 nan 0.000 0.479 166 L N 0.929 122.182 121.223 0.050 0.000 2.141 166 L HA 0.196 4.539 4.340 0.005 0.000 0.209 166 L C 2.267 179.124 176.870 -0.021 0.000 1.094 166 L CA 1.161 55.974 54.840 -0.045 0.000 0.763 166 L CB -0.432 41.535 42.059 -0.153 0.000 0.908 166 L HN 0.488 nan 8.230 nan 0.000 0.437 167 I N -3.106 117.449 120.570 -0.024 0.000 3.812 167 I HA 0.328 4.501 4.170 0.005 0.000 0.319 167 I C 1.165 177.269 176.117 -0.023 0.000 1.353 167 I CA 0.303 61.582 61.300 -0.034 0.000 1.170 167 I CB -0.590 37.378 38.000 -0.053 0.000 1.057 167 I HN 0.191 nan 8.210 nan 0.000 0.411 168 G N 1.114 109.918 108.800 0.006 0.000 2.203 168 G HA2 -0.280 3.684 3.960 0.005 0.000 0.263 168 G HA3 -0.280 3.684 3.960 0.005 0.000 0.263 168 G C -0.083 174.795 174.900 -0.037 0.000 1.012 168 G CA 0.569 45.669 45.100 0.001 0.000 0.749 168 G HN 0.678 nan 8.290 nan 0.000 0.512 169 E N -1.336 118.832 120.200 -0.052 0.000 2.334 169 E HA 0.651 5.005 4.350 0.005 0.000 0.256 169 E C 0.979 177.496 176.600 -0.139 0.000 0.958 169 E CA -0.341 55.995 56.400 -0.107 0.000 0.821 169 E CB 1.410 31.045 29.700 -0.107 0.000 1.269 169 E HN 1.315 nan 8.360 nan 0.000 0.413 170 G N -0.425 108.224 108.800 -0.252 0.000 2.601 170 G HA2 -0.275 3.688 3.960 0.005 0.000 0.252 170 G HA3 -0.275 3.688 3.960 0.005 0.000 0.252 170 G C -1.216 173.416 174.900 -0.446 0.000 1.294 170 G CA -0.142 44.770 45.100 -0.312 0.000 0.912 170 G HN 0.377 nan 8.290 nan 0.000 0.574 171 Y N -1.150 119.200 120.300 0.084 0.000 2.524 171 Y HA 0.614 5.167 4.550 0.005 0.000 0.344 171 Y C 0.805 176.744 175.900 0.066 0.000 1.012 171 Y CA -0.404 57.735 58.100 0.065 0.000 1.068 171 Y CB 2.153 40.651 38.460 0.065 0.000 1.249 171 Y HN 0.956 nan 8.280 nan 0.000 0.468 172 V N 0.732 120.762 119.914 0.194 0.000 2.769 172 V HA 0.601 4.724 4.120 0.005 0.000 0.312 172 V C -0.886 175.262 176.094 0.091 0.000 1.058 172 V CA -1.178 61.186 62.300 0.107 0.000 0.952 172 V CB 1.738 33.578 31.823 0.029 0.000 1.019 172 V HN 0.650 nan 8.190 nan 0.000 0.445 173 L N 4.614 125.875 121.223 0.064 0.000 2.433 173 L HA 0.489 4.832 4.340 0.005 0.000 0.275 173 L C 0.274 177.158 176.870 0.023 0.000 1.128 173 L CA 0.663 55.530 54.840 0.045 0.000 0.875 173 L CB -0.285 41.802 42.059 0.046 0.000 1.171 173 L HN 0.776 nan 8.230 nan 0.000 0.463 174 R N 3.885 124.396 120.500 0.018 0.000 2.483 174 R HA 0.199 4.543 4.340 0.005 0.000 0.303 174 R C -0.813 175.488 176.300 0.002 0.000 0.987 174 R CA -0.707 55.398 56.100 0.007 0.000 0.881 174 R CB 1.215 31.521 30.300 0.010 0.000 1.177 174 R HN 0.635 nan 8.270 nan 0.000 0.451 175 D N 2.317 122.717 120.400 0.000 0.000 2.720 175 D HA -0.219 4.424 4.640 0.005 0.000 0.229 175 D C 1.115 177.413 176.300 -0.004 0.000 1.198 175 D CA 2.062 56.061 54.000 -0.002 0.000 0.639 175 D CB -0.751 40.047 40.800 -0.004 0.000 1.003 175 D HN 1.059 nan 8.370 nan 0.000 0.411 176 G N -1.108 107.691 108.800 -0.001 0.000 2.320 176 G HA2 -0.393 3.571 3.960 0.005 0.000 0.242 176 G HA3 -0.393 3.571 3.960 0.005 0.000 0.242 176 G C 0.550 175.441 174.900 -0.015 0.000 1.033 176 G CA 0.463 45.559 45.100 -0.006 0.000 0.620 176 G HN 0.597 nan 8.290 nan 0.000 0.517 177 R N 1.232 121.722 120.500 -0.016 0.000 2.758 177 R HA 0.610 4.953 4.340 0.005 0.000 0.265 177 R C -2.601 173.687 176.300 -0.019 0.000 1.016 177 R CA -1.668 54.414 56.100 -0.030 0.000 1.040 177 R CB 1.676 31.956 30.300 -0.033 0.000 1.152 177 R HN 0.199 nan 8.270 nan 0.000 0.503 178 P HA 0.296 nan 4.420 nan 0.000 0.285 178 P C -1.164 176.164 177.300 0.048 0.000 1.269 178 P CA -0.619 62.476 63.100 -0.008 0.000 0.844 178 P CB 1.559 33.170 31.700 -0.147 0.000 1.094 179 V N -2.523 117.503 119.914 0.187 0.000 2.817 179 V HA 0.321 4.444 4.120 0.005 0.000 0.303 179 V C -0.178 176.071 176.094 0.258 0.000 1.151 179 V CA -1.113 61.313 62.300 0.209 0.000 0.929 179 V CB 1.265 33.143 31.823 0.092 0.000 1.030 179 V HN 0.458 nan 8.190 nan 0.000 0.427 180 E N 2.004 122.356 120.200 0.252 0.000 3.056 180 E HA -0.089 4.264 4.350 0.005 0.000 0.264 180 E C 0.960 177.555 176.600 -0.008 0.000 0.899 180 E CA 0.942 57.354 56.400 0.019 0.000 0.966 180 E CB 0.680 30.381 29.700 0.002 0.000 0.913 180 E HN 0.878 nan 8.360 nan 0.000 0.522 181 T N 2.515 117.030 114.554 -0.064 0.000 2.881 181 T HA -0.183 4.170 4.350 0.005 0.000 0.270 181 T C 1.787 176.469 174.700 -0.029 0.000 1.068 181 T CA 1.061 63.142 62.100 -0.031 0.000 1.131 181 T CB 0.040 68.893 68.868 -0.026 0.000 0.871 181 T HN 0.600 nan 8.240 nan 0.000 0.479 182 A N 1.521 124.317 122.820 -0.041 0.000 1.940 182 A HA -0.185 4.138 4.320 0.005 0.000 0.219 182 A C 2.349 179.922 177.584 -0.018 0.000 1.176 182 A CA 1.436 53.456 52.037 -0.029 0.000 0.631 182 A CB -0.561 18.417 19.000 -0.036 0.000 0.814 182 A HN 0.525 nan 8.150 nan 0.000 0.446 183 Q N -0.624 119.168 119.800 -0.013 0.000 2.049 183 Q HA -0.087 4.256 4.340 0.005 0.000 0.198 183 Q C 2.208 178.200 176.000 -0.012 0.000 0.971 183 Q CA 1.598 57.397 55.803 -0.007 0.000 0.833 183 Q CB -0.274 28.466 28.738 0.005 0.000 0.896 183 Q HN 0.521 nan 8.270 nan 0.000 0.434 184 V N 1.437 121.341 119.914 -0.017 0.000 2.343 184 V HA -0.266 3.858 4.120 0.005 0.000 0.247 184 V C 2.299 178.365 176.094 -0.045 0.000 1.051 184 V CA 1.429 63.709 62.300 -0.034 0.000 1.036 184 V CB -0.674 31.121 31.823 -0.047 0.000 0.654 184 V HN 0.330 nan 8.190 nan 0.000 0.451 185 L N 0.446 121.646 121.223 -0.038 0.000 1.944 185 L HA -0.221 4.122 4.340 0.005 0.000 0.218 185 L C 2.767 179.626 176.870 -0.018 0.000 1.075 185 L CA 2.090 56.913 54.840 -0.028 0.000 0.767 185 L CB -1.030 41.029 42.059 -0.001 0.000 0.890 185 L HN 0.376 nan 8.230 nan 0.000 0.434 186 A N -0.816 121.997 122.820 -0.013 0.000 2.131 186 A HA -0.232 4.091 4.320 0.005 0.000 0.220 186 A C 2.001 179.577 177.584 -0.013 0.000 1.158 186 A CA 1.500 53.531 52.037 -0.010 0.000 0.665 186 A CB -0.535 18.460 19.000 -0.009 0.000 0.795 186 A HN 0.506 nan 8.150 nan 0.000 0.460 187 E N -1.347 118.842 120.200 -0.018 0.000 2.445 187 E HA 0.120 4.473 4.350 0.005 0.000 0.189 187 E C 1.394 177.980 176.600 -0.024 0.000 1.069 187 E CA -0.030 56.359 56.400 -0.019 0.000 0.871 187 E CB 0.059 29.747 29.700 -0.019 0.000 0.991 187 E HN 0.534 nan 8.360 nan 0.000 0.481 188 R N -2.199 118.286 120.500 -0.025 0.000 2.612 188 R HA 0.135 4.478 4.340 0.005 0.000 0.260 188 R C 0.643 176.935 176.300 -0.014 0.000 0.943 188 R CA 0.588 56.672 56.100 -0.027 0.000 1.036 188 R CB 1.485 31.756 30.300 -0.048 0.000 1.520 188 R HN 0.154 nan 8.270 nan 0.000 0.563 189 G N 1.498 110.292 108.800 -0.009 0.000 2.148 189 G HA2 -0.186 3.777 3.960 0.005 0.000 0.203 189 G HA3 -0.186 3.777 3.960 0.005 0.000 0.203 189 G C -0.042 174.861 174.900 0.006 0.000 0.993 189 G CA -0.176 44.923 45.100 -0.002 0.000 0.661 189 G HN 0.137 nan 8.290 nan 0.000 0.518 190 I N -0.145 120.430 120.570 0.009 0.000 2.648 190 I HA 0.744 4.917 4.170 0.005 0.000 0.304 190 I C -0.085 176.046 176.117 0.023 0.000 1.009 190 I CA -1.135 60.181 61.300 0.027 0.000 1.114 190 I CB 1.900 39.934 38.000 0.057 0.000 1.293 190 I HN -0.060 nan 8.210 nan 0.000 0.449 191 E N 4.495 124.710 120.200 0.025 0.000 2.222 191 E HA 0.486 4.839 4.350 0.005 0.000 0.267 191 E C -2.427 174.185 176.600 0.019 0.000 0.884 191 E CA -1.740 54.669 56.400 0.015 0.000 0.764 191 E CB 1.331 31.034 29.700 0.004 0.000 1.169 191 E HN 0.226 nan 8.360 nan 0.000 0.413 192 P HA -0.090 nan 4.420 nan 0.000 0.271 192 P C -0.548 176.748 177.300 -0.006 0.000 1.197 192 P CA 0.336 63.441 63.100 0.009 0.000 0.777 192 P CB 0.458 32.154 31.700 -0.007 0.000 0.827 193 L N 0.753 121.965 121.223 -0.018 0.000 2.376 193 L HA 0.427 4.770 4.340 0.005 0.000 0.267 193 L C 0.773 177.615 176.870 -0.046 0.000 1.035 193 L CA -0.732 54.086 54.840 -0.036 0.000 0.800 193 L CB 1.180 43.208 42.059 -0.052 0.000 1.290 193 L HN 0.438 nan 8.230 nan 0.000 0.462 194 E N 1.471 121.638 120.200 -0.054 0.000 2.176 194 E HA 0.351 4.704 4.350 0.005 0.000 0.267 194 E C -1.548 175.006 176.600 -0.077 0.000 0.893 194 E CA -0.662 55.699 56.400 -0.065 0.000 0.761 194 E CB 1.596 31.256 29.700 -0.066 0.000 1.133 194 E HN 0.468 nan 8.360 nan 0.000 0.409 195 L N 5.186 126.359 121.223 -0.083 0.000 2.315 195 L HA 0.316 4.659 4.340 0.005 0.000 0.283 195 L C 0.878 177.677 176.870 -0.118 0.000 1.089 195 L CA -0.589 54.199 54.840 -0.087 0.000 0.833 195 L CB 0.365 42.378 42.059 -0.077 0.000 1.170 195 L HN 0.476 nan 8.230 nan 0.000 0.442 196 R N 2.152 122.585 120.500 -0.112 0.000 2.527 196 R HA 0.388 4.731 4.340 0.005 0.000 0.236 196 R C -0.410 175.825 176.300 -0.108 0.000 1.257 196 R CA -0.841 55.151 56.100 -0.179 0.000 1.088 196 R CB 0.204 30.445 30.300 -0.099 0.000 1.396 196 R HN 0.148 nan 8.270 nan 0.000 0.571 197 F N 1.793 121.781 119.950 0.064 0.000 2.607 197 F HA -0.013 4.517 4.527 0.005 0.000 0.374 197 F C 1.708 177.591 175.800 0.139 0.000 1.104 197 F CA 0.713 58.782 58.000 0.115 0.000 1.296 197 F CB 0.177 39.275 39.000 0.163 0.000 1.085 197 F HN 0.487 nan 8.300 nan 0.000 0.584 198 K N 0.750 121.326 120.400 0.295 0.000 3.529 198 K HA -0.263 4.061 4.320 0.005 0.000 0.313 198 K C 1.160 177.772 176.600 0.019 0.000 1.316 198 K CA 1.369 57.730 56.287 0.124 0.000 0.988 198 K CB -0.564 31.960 32.500 0.040 0.000 1.252 198 K HN 0.832 nan 8.250 nan 0.000 0.438 199 E N -1.163 119.052 120.200 0.024 0.000 2.107 199 E HA -0.079 4.274 4.350 0.005 0.000 0.191 199 E C 1.882 178.457 176.600 -0.043 0.000 0.982 199 E CA 1.278 57.661 56.400 -0.029 0.000 0.809 199 E CB -0.013 29.664 29.700 -0.038 0.000 0.756 199 E HN 0.549 nan 8.360 nan 0.000 0.459 200 G N 1.306 110.085 108.800 -0.035 0.000 2.426 200 G HA2 -0.150 3.814 3.960 0.005 0.000 0.214 200 G HA3 -0.150 3.814 3.960 0.005 0.000 0.214 200 G C 1.577 176.433 174.900 -0.075 0.000 1.156 200 G CA 0.074 45.134 45.100 -0.067 0.000 0.802 200 G HN 0.133 nan 8.290 nan 0.000 0.534 201 L N 1.254 122.461 121.223 -0.027 0.000 2.109 201 L HA 0.333 4.676 4.340 0.005 0.000 0.207 201 L C 2.841 179.708 176.870 -0.005 0.000 1.086 201 L CA 1.916 56.751 54.840 -0.009 0.000 0.760 201 L CB -0.439 41.672 42.059 0.086 0.000 0.910 201 L HN 0.175 nan 8.230 nan 0.000 0.437 202 A N -0.815 121.996 122.820 -0.016 0.000 2.014 202 A HA -0.056 4.267 4.320 0.005 0.000 0.218 202 A C 2.224 179.794 177.584 -0.024 0.000 1.163 202 A CA 1.486 53.510 52.037 -0.021 0.000 0.652 202 A CB -0.669 18.294 19.000 -0.062 0.000 0.808 202 A HN 0.485 nan 8.150 nan 0.000 0.449 203 L N -0.415 120.784 121.223 -0.040 0.000 2.179 203 L HA 0.027 4.370 4.340 0.005 0.000 0.208 203 L C 2.247 179.098 176.870 -0.031 0.000 1.096 203 L CA 1.184 55.998 54.840 -0.043 0.000 0.779 203 L CB -0.083 41.941 42.059 -0.059 0.000 0.922 203 L HN 0.687 nan 8.230 nan 0.000 0.443 204 I N -4.753 115.795 120.570 -0.038 0.000 4.181 204 I HA 0.152 4.326 4.170 0.005 0.000 0.331 204 I C 0.601 176.709 176.117 -0.016 0.000 1.312 204 I CA 0.038 61.317 61.300 -0.034 0.000 1.146 204 I CB 0.143 38.099 38.000 -0.074 0.000 1.074 204 I HN 0.016 nan 8.210 nan 0.000 0.402 205 N N 2.566 121.273 118.700 0.011 0.000 3.298 205 N HA 0.488 5.231 4.740 0.005 0.000 0.292 205 N C -0.272 175.325 175.510 0.144 0.000 1.271 205 N CA 0.250 53.342 53.050 0.070 0.000 1.184 205 N CB 0.307 38.870 38.487 0.127 0.000 1.452 205 N HN 0.661 nan 8.380 nan 0.000 0.534 206 G N -1.348 107.517 108.800 0.109 0.000 2.606 206 G HA2 0.266 4.229 3.960 0.005 0.000 0.300 206 G HA3 0.266 4.229 3.960 0.005 0.000 0.300 206 G C -0.451 174.498 174.900 0.082 0.000 1.360 206 G CA -0.538 44.633 45.100 0.119 0.000 0.783 206 G HN 0.158 nan 8.290 nan 0.000 0.484 207 T N -2.073 112.519 114.554 0.064 0.000 3.258 207 T HA 0.376 4.729 4.350 0.005 0.000 0.259 207 T C 1.362 176.066 174.700 0.005 0.000 0.963 207 T CA 0.576 62.696 62.100 0.032 0.000 0.919 207 T CB 0.493 69.381 68.868 0.033 0.000 1.110 207 T HN 0.240 nan 8.240 nan 0.000 0.550 208 S N 0.998 116.698 115.700 -0.001 0.000 2.402 208 S HA 0.072 4.545 4.470 0.005 0.000 0.229 208 S C 2.324 176.890 174.600 -0.056 0.000 1.021 208 S CA 1.194 59.379 58.200 -0.024 0.000 0.974 208 S CB -0.659 62.527 63.200 -0.023 0.000 0.800 208 S HN 0.801 nan 8.310 nan 0.000 0.484 209 G N 2.843 111.608 108.800 -0.059 0.000 2.511 209 G HA2 -0.278 3.685 3.960 0.005 0.000 0.216 209 G HA3 -0.278 3.685 3.960 0.005 0.000 0.216 209 G C 1.482 176.323 174.900 -0.099 0.000 1.218 209 G CA 1.340 46.376 45.100 -0.107 0.000 0.788 209 G HN 0.621 nan 8.290 nan 0.000 0.560 210 M N -0.726 118.849 119.600 -0.043 0.000 2.175 210 M HA 0.084 4.567 4.480 0.005 0.000 0.264 210 M C 2.320 178.604 176.300 -0.026 0.000 1.063 210 M CA 2.079 57.365 55.300 -0.025 0.000 1.119 210 M CB -0.905 31.686 32.600 -0.016 0.000 1.377 210 M HN 0.022 nan 8.290 nan 0.000 0.415 211 T N 1.174 115.712 114.554 -0.027 0.000 2.737 211 T HA 0.020 4.373 4.350 0.005 0.000 0.265 211 T C 1.943 176.627 174.700 -0.027 0.000 1.038 211 T CA 1.733 63.822 62.100 -0.018 0.000 1.144 211 T CB -0.647 68.214 68.868 -0.012 0.000 0.866 211 T HN 0.707 nan 8.240 nan 0.000 0.434 212 G N 1.096 109.864 108.800 -0.052 0.000 2.402 212 G HA2 -0.115 3.848 3.960 0.005 0.000 0.216 212 G HA3 -0.115 3.848 3.960 0.005 0.000 0.216 212 G C 1.527 176.383 174.900 -0.073 0.000 1.162 212 G CA 0.616 45.677 45.100 -0.066 0.000 0.777 212 G HN 0.394 nan 8.290 nan 0.000 0.539 213 L N 1.431 122.593 121.223 -0.101 0.000 2.027 213 L HA 0.205 4.548 4.340 0.005 0.000 0.206 213 L C 2.836 179.701 176.870 -0.007 0.000 1.074 213 L CA 2.226 57.022 54.840 -0.074 0.000 0.745 213 L CB -0.926 41.085 42.059 -0.080 0.000 0.898 213 L HN 0.169 nan 8.230 nan 0.000 0.433 214 G N -1.634 107.165 108.800 -0.001 0.000 2.422 214 G HA2 -0.254 3.709 3.960 0.005 0.000 0.218 214 G HA3 -0.254 3.709 3.960 0.005 0.000 0.218 214 G C 1.578 176.495 174.900 0.029 0.000 1.146 214 G CA 0.912 46.026 45.100 0.023 0.000 0.769 214 G HN 0.471 nan 8.290 nan 0.000 0.547 215 S N 0.612 116.322 115.700 0.017 0.000 2.359 215 S HA -0.110 4.363 4.470 0.005 0.000 0.223 215 S C 2.316 176.935 174.600 0.031 0.000 1.039 215 S CA 1.252 59.466 58.200 0.024 0.000 1.042 215 S CB -0.371 62.836 63.200 0.012 0.000 0.915 215 S HN 0.339 nan 8.310 nan 0.000 0.439 216 L N 1.021 122.257 121.223 0.022 0.000 2.012 216 L HA -0.120 4.224 4.340 0.005 0.000 0.210 216 L C 2.421 179.316 176.870 0.042 0.000 1.073 216 L CA 1.032 55.890 54.840 0.029 0.000 0.748 216 L CB -0.986 41.087 42.059 0.024 0.000 0.891 216 L HN 0.205 nan 8.230 nan 0.000 0.431 217 V N -0.442 119.499 119.914 0.046 0.000 2.233 217 V HA -0.285 3.839 4.120 0.005 0.000 0.247 217 V C 2.472 178.602 176.094 0.061 0.000 1.050 217 V CA 1.839 64.173 62.300 0.055 0.000 1.010 217 V CB -0.446 31.412 31.823 0.058 0.000 0.637 217 V HN 0.185 nan 8.190 nan 0.000 0.444 218 V N 0.828 120.781 119.914 0.065 0.000 2.332 218 V HA -0.243 3.880 4.120 0.005 0.000 0.248 218 V C 2.601 178.742 176.094 0.079 0.000 1.055 218 V CA 2.319 64.666 62.300 0.078 0.000 1.038 218 V CB -1.417 30.459 31.823 0.088 0.000 0.651 218 V HN 0.653 nan 8.190 nan 0.000 0.450 219 G N -0.629 108.212 108.800 0.068 0.000 2.418 219 G HA2 -0.256 3.708 3.960 0.005 0.000 0.217 219 G HA3 -0.256 3.708 3.960 0.005 0.000 0.217 219 G C 1.759 176.698 174.900 0.064 0.000 1.158 219 G CA 0.750 45.889 45.100 0.065 0.000 0.771 219 G HN 0.429 nan 8.290 nan 0.000 0.545 220 R N 0.296 120.831 120.500 0.059 0.000 2.148 220 R HA 0.191 4.534 4.340 0.005 0.000 0.223 220 R C 2.959 179.296 176.300 0.063 0.000 1.088 220 R CA 0.892 57.027 56.100 0.058 0.000 0.985 220 R CB -0.215 30.117 30.300 0.053 0.000 0.880 220 R HN 0.344 nan 8.270 nan 0.000 0.451 221 A N 1.001 123.860 122.820 0.065 0.000 1.902 221 A HA -0.135 4.189 4.320 0.005 0.000 0.217 221 A C 2.070 179.692 177.584 0.063 0.000 1.181 221 A CA 1.111 53.185 52.037 0.063 0.000 0.623 221 A CB -0.522 18.516 19.000 0.063 0.000 0.818 221 A HN 0.198 nan 8.150 nan 0.000 0.443 222 L N -0.673 120.595 121.223 0.074 0.000 2.079 222 L HA -0.234 4.110 4.340 0.005 0.000 0.210 222 L C 2.625 179.543 176.870 0.081 0.000 1.081 222 L CA 1.725 56.616 54.840 0.085 0.000 0.752 222 L CB -0.542 41.587 42.059 0.116 0.000 0.896 222 L HN 0.499 nan 8.230 nan 0.000 0.433 223 E N -0.546 119.701 120.200 0.077 0.000 2.072 223 E HA -0.275 4.079 4.350 0.005 0.000 0.191 223 E C 2.141 178.792 176.600 0.086 0.000 0.985 223 E CA 0.917 57.365 56.400 0.080 0.000 0.801 223 E CB -0.031 29.714 29.700 0.074 0.000 0.750 223 E HN 0.458 nan 8.360 nan 0.000 0.452 224 Q N 0.606 120.453 119.800 0.078 0.000 2.061 224 Q HA -0.221 4.123 4.340 0.005 0.000 0.204 224 Q C 2.133 178.178 176.000 0.075 0.000 0.984 224 Q CA 1.781 57.632 55.803 0.080 0.000 0.846 224 Q CB -0.153 28.627 28.738 0.069 0.000 0.902 224 Q HN 0.258 nan 8.270 nan 0.000 0.421 225 A N 0.279 123.134 122.820 0.058 0.000 1.908 225 A HA -0.271 4.052 4.320 0.005 0.000 0.218 225 A C 1.928 179.544 177.584 0.053 0.000 1.181 225 A CA 1.777 53.840 52.037 0.043 0.000 0.627 225 A CB -0.581 18.432 19.000 0.021 0.000 0.818 225 A HN 0.536 nan 8.150 nan 0.000 0.445 226 Q N -0.887 118.954 119.800 0.068 0.000 2.079 226 Q HA -0.178 4.165 4.340 0.005 0.000 0.200 226 Q C 2.254 178.308 176.000 0.091 0.000 0.974 226 Q CA 1.581 57.428 55.803 0.074 0.000 0.840 226 Q CB -0.142 28.646 28.738 0.082 0.000 0.898 226 Q HN 0.765 nan 8.270 nan 0.000 0.430 227 Q N -0.462 119.410 119.800 0.120 0.000 2.245 227 Q HA -0.001 4.342 4.340 0.005 0.000 0.201 227 Q C 1.969 178.061 176.000 0.153 0.000 0.955 227 Q CA 0.801 56.714 55.803 0.183 0.000 0.870 227 Q CB 0.065 28.930 28.738 0.212 0.000 0.945 227 Q HN 0.318 nan 8.270 nan 0.000 0.461 228 A N 1.560 124.436 122.820 0.093 0.000 1.898 228 A HA -0.201 4.122 4.320 0.005 0.000 0.216 228 A C 1.780 179.360 177.584 -0.005 0.000 1.181 228 A CA 1.282 53.345 52.037 0.044 0.000 0.620 228 A CB -0.236 18.789 19.000 0.041 0.000 0.819 228 A HN 0.305 nan 8.150 nan 0.000 0.442 229 E N -0.232 119.974 120.200 0.009 0.000 2.152 229 E HA -0.080 4.273 4.350 0.005 0.000 0.192 229 E C 1.818 178.389 176.600 -0.047 0.000 0.983 229 E CA 0.840 57.230 56.400 -0.016 0.000 0.818 229 E CB -0.252 29.448 29.700 -0.001 0.000 0.758 229 E HN 0.665 nan 8.360 nan 0.000 0.467 230 I N 0.700 121.260 120.570 -0.016 0.000 2.076 230 I HA -0.273 3.900 4.170 0.005 0.000 0.237 230 I C 2.575 178.607 176.117 -0.141 0.000 1.059 230 I CA 1.065 62.353 61.300 -0.021 0.000 1.317 230 I CB -0.287 37.772 38.000 0.098 0.000 1.037 230 I HN 0.063 nan 8.210 nan 0.000 0.398 231 V N 0.318 120.041 119.914 -0.318 0.000 2.427 231 V HA -0.267 3.856 4.120 0.005 0.000 0.248 231 V C 2.384 178.284 176.094 -0.324 0.000 1.051 231 V CA 2.631 64.576 62.300 -0.593 0.000 1.048 231 V CB -0.429 30.640 31.823 -1.256 0.000 0.666 231 V HN 0.499 nan 8.190 nan 0.000 0.456 232 T N 0.727 115.156 114.554 -0.208 0.000 2.759 232 T HA -0.163 4.190 4.350 0.005 0.000 0.269 232 T C 1.984 176.615 174.700 -0.115 0.000 1.042 232 T CA 1.737 63.764 62.100 -0.120 0.000 1.140 232 T CB -0.531 68.304 68.868 -0.055 0.000 0.864 232 T HN 0.703 nan 8.240 nan 0.000 0.455 233 A N 1.217 123.952 122.820 -0.142 0.000 1.898 233 A HA 0.039 4.362 4.320 0.005 0.000 0.216 233 A C 2.239 179.748 177.584 -0.126 0.000 1.181 233 A CA 1.246 53.187 52.037 -0.160 0.000 0.620 233 A CB -0.746 18.155 19.000 -0.165 0.000 0.819 233 A HN 0.433 nan 8.150 nan 0.000 0.442 234 L N -0.421 120.727 121.223 -0.124 0.000 2.042 234 L HA -0.116 4.227 4.340 0.005 0.000 0.210 234 L C 2.237 179.053 176.870 -0.089 0.000 1.076 234 L CA 1.810 56.593 54.840 -0.096 0.000 0.749 234 L CB -0.467 41.529 42.059 -0.104 0.000 0.893 234 L HN 0.416 nan 8.230 nan 0.000 0.432 235 L N -0.984 120.173 121.223 -0.109 0.000 1.994 235 L HA -0.238 4.105 4.340 0.005 0.000 0.208 235 L C 2.548 179.394 176.870 -0.041 0.000 1.071 235 L CA 1.810 56.602 54.840 -0.081 0.000 0.745 235 L CB -0.232 41.773 42.059 -0.090 0.000 0.892 235 L HN 0.301 nan 8.230 nan 0.000 0.431 236 I N -0.210 120.342 120.570 -0.031 0.000 2.248 236 I HA -0.355 3.818 4.170 0.005 0.000 0.248 236 I C 2.457 178.565 176.117 -0.014 0.000 1.107 236 I CA 1.511 62.815 61.300 0.007 0.000 1.373 236 I CB -0.226 37.790 38.000 0.027 0.000 1.055 236 I HN 0.322 nan 8.210 nan 0.000 0.418 237 E N 0.430 120.602 120.200 -0.046 0.000 2.028 237 E HA -0.167 4.186 4.350 0.005 0.000 0.190 237 E C 2.326 178.899 176.600 -0.046 0.000 0.984 237 E CA 1.143 57.512 56.400 -0.051 0.000 0.800 237 E CB -0.212 29.447 29.700 -0.069 0.000 0.758 237 E HN 0.503 nan 8.360 nan 0.000 0.448 238 A N 0.753 123.545 122.820 -0.047 0.000 2.125 238 A HA -0.094 4.229 4.320 0.005 0.000 0.219 238 A C 2.106 179.674 177.584 -0.026 0.000 1.156 238 A CA 0.866 52.877 52.037 -0.043 0.000 0.671 238 A CB -0.030 18.941 19.000 -0.047 0.000 0.794 238 A HN 0.170 nan 8.150 nan 0.000 0.459 239 V N -1.001 118.906 119.914 -0.012 0.000 3.578 239 V HA 0.109 4.232 4.120 0.005 0.000 0.290 239 V C 0.287 176.369 176.094 -0.020 0.000 1.376 239 V CA 0.125 62.436 62.300 0.018 0.000 1.083 239 V CB -0.672 31.199 31.823 0.079 0.000 0.911 239 V HN 0.626 nan 8.190 nan 0.000 0.433 240 R N -0.042 120.437 120.500 -0.034 0.000 3.418 240 R HA -0.129 4.215 4.340 0.005 0.000 0.274 240 R C 0.650 176.909 176.300 -0.068 0.000 1.108 240 R CA 0.678 56.748 56.100 -0.050 0.000 0.741 240 R CB -2.416 27.850 30.300 -0.057 0.000 1.223 240 R HN 0.574 nan 8.270 nan 0.000 0.434 241 G N 0.183 108.962 108.800 -0.035 0.000 2.653 241 G HA2 0.271 4.234 3.960 0.005 0.000 0.265 241 G HA3 0.271 4.234 3.960 0.005 0.000 0.265 241 G C 0.016 174.938 174.900 0.036 0.000 1.237 241 G CA 0.214 45.306 45.100 -0.013 0.000 0.946 241 G HN 0.200 nan 8.290 nan 0.000 0.522 242 S N -2.345 113.400 115.700 0.074 0.000 2.654 242 S HA 0.474 4.947 4.470 0.005 0.000 0.283 242 S C 1.436 176.170 174.600 0.223 0.000 1.180 242 S CA 0.075 58.340 58.200 0.107 0.000 1.021 242 S CB 1.243 64.495 63.200 0.087 0.000 1.018 242 S HN 0.694 nan 8.310 nan 0.000 0.532 243 T N 0.861 115.545 114.554 0.216 0.000 3.037 243 T HA 0.056 4.410 4.350 0.005 0.000 0.252 243 T C 1.991 176.839 174.700 0.246 0.000 1.073 243 T CA 0.653 62.965 62.100 0.353 0.000 1.091 243 T CB -0.512 68.486 68.868 0.217 0.000 0.935 243 T HN 0.488 nan 8.240 nan 0.000 0.488 244 S N 2.785 118.546 115.700 0.102 0.000 2.390 244 S HA -0.140 4.333 4.470 0.005 0.000 0.234 244 S C -0.635 173.913 174.600 -0.088 0.000 1.063 244 S CA 1.911 60.111 58.200 0.001 0.000 1.108 244 S CB -1.233 61.934 63.200 -0.055 0.000 0.975 244 S HN 0.382 nan 8.310 nan 0.000 0.442 245 P HA -0.092 nan 4.420 nan 0.000 0.217 245 P C 0.591 177.648 177.300 -0.405 0.000 1.148 245 P CA 1.229 64.039 63.100 -0.484 0.000 0.834 245 P CB -0.190 30.983 31.700 -0.878 0.000 0.783 246 F N -2.238 117.781 119.950 0.115 0.000 2.727 246 F HA 0.184 4.714 4.527 0.006 0.000 0.302 246 F C 1.186 177.060 175.800 0.122 0.000 1.097 246 F CA -0.526 57.546 58.000 0.120 0.000 1.330 246 F CB -0.896 38.118 39.000 0.025 0.000 1.084 246 F HN -0.233 nan 8.300 nan 0.000 0.578 247 L N 0.478 121.841 121.223 0.234 0.000 2.529 247 L HA -0.023 4.321 4.340 0.005 0.000 0.287 247 L C 1.775 178.782 176.870 0.229 0.000 1.241 247 L CA 0.029 54.969 54.840 0.167 0.000 0.857 247 L CB 0.375 42.481 42.059 0.079 0.000 1.113 247 L HN 0.245 nan 8.230 nan 0.000 0.504 248 A N 2.291 125.201 122.820 0.150 0.000 1.898 248 A HA -0.146 4.178 4.320 0.005 0.000 0.216 248 A C 2.058 179.735 177.584 0.155 0.000 1.181 248 A CA 1.382 53.508 52.037 0.147 0.000 0.620 248 A CB -0.430 18.616 19.000 0.076 0.000 0.819 248 A HN 0.916 nan 8.150 nan 0.000 0.442 249 E N 0.103 120.354 120.200 0.085 0.000 2.160 249 E HA -0.148 4.205 4.350 0.005 0.000 0.195 249 E C 1.864 178.463 176.600 -0.002 0.000 0.991 249 E CA 1.433 57.854 56.400 0.035 0.000 0.810 249 E CB -1.100 28.602 29.700 0.004 0.000 0.742 249 E HN 0.435 nan 8.360 nan 0.000 0.466 250 G N -0.098 108.683 108.800 -0.033 0.000 2.535 250 G HA2 -0.198 3.765 3.960 0.005 0.000 0.218 250 G HA3 -0.198 3.765 3.960 0.005 0.000 0.218 250 G C 0.730 175.353 174.900 -0.462 0.000 1.122 250 G CA 1.216 46.161 45.100 -0.259 0.000 0.769 250 G HN 0.409 nan 8.290 nan 0.000 0.549 251 H N -0.927 118.142 119.070 -0.002 0.000 2.162 251 H HA 0.172 4.731 4.556 0.005 0.000 0.228 251 H C 1.750 177.084 175.328 0.010 0.000 0.941 251 H CA 0.266 56.322 56.048 0.014 0.000 1.213 251 H CB -0.115 29.667 29.762 0.033 0.000 1.318 251 H HN 0.132 nan 8.280 nan 0.000 0.496 252 D N 0.615 121.115 120.400 0.166 0.000 2.265 252 D HA -0.092 4.551 4.640 0.005 0.000 0.208 252 D C 1.383 177.706 176.300 0.038 0.000 0.977 252 D CA 1.294 55.342 54.000 0.081 0.000 0.871 252 D CB 0.282 41.120 40.800 0.064 0.000 0.925 252 D HN 0.426 nan 8.370 nan 0.000 0.485 253 I N -0.423 120.164 120.570 0.028 0.000 3.132 253 I HA 0.110 4.284 4.170 0.005 0.000 0.255 253 I C 2.198 178.302 176.117 -0.021 0.000 1.118 253 I CA 0.385 61.685 61.300 -0.001 0.000 1.463 253 I CB -0.234 37.763 38.000 -0.004 0.000 1.356 253 I HN -0.069 nan 8.210 nan 0.000 0.463 254 A N 0.644 123.441 122.820 -0.038 0.000 1.897 254 A HA 0.007 4.331 4.320 0.005 0.000 0.215 254 A C 1.645 179.198 177.584 -0.053 0.000 1.181 254 A CA 1.066 53.068 52.037 -0.059 0.000 0.620 254 A CB -0.057 18.887 19.000 -0.094 0.000 0.821 254 A HN 0.315 nan 8.150 nan 0.000 0.443 255 R N -0.070 120.405 120.500 -0.042 0.000 2.721 255 R HA 0.217 4.560 4.340 0.005 0.000 0.272 255 R C -2.897 173.422 176.300 0.032 0.000 1.721 255 R CA -1.521 54.574 56.100 -0.009 0.000 1.325 255 R CB 1.366 31.682 30.300 0.026 0.000 1.271 255 R HN 0.143 nan 8.270 nan 0.000 0.556 256 P HA 0.034 nan 4.420 nan 0.000 0.228 256 P C -0.829 176.450 177.300 -0.035 0.000 1.748 256 P CA -0.110 62.985 63.100 -0.008 0.000 0.909 256 P CB -0.380 31.297 31.700 -0.039 0.000 1.882 257 H N 0.122 119.231 119.070 0.065 0.000 2.742 257 H HA 0.046 4.605 4.556 0.005 0.000 0.302 257 H C 1.623 177.002 175.328 0.086 0.000 1.069 257 H CA 0.121 56.207 56.048 0.063 0.000 1.446 257 H CB 0.999 30.792 29.762 0.051 0.000 1.462 257 H HN 0.220 nan 8.280 nan 0.000 0.499 258 E N 2.993 123.322 120.200 0.215 0.000 2.082 258 E HA -0.273 4.080 4.350 0.005 0.000 0.215 258 E C 2.210 178.957 176.600 0.245 0.000 1.048 258 E CA 2.019 58.543 56.400 0.207 0.000 0.869 258 E CB -0.318 29.528 29.700 0.243 0.000 0.773 258 E HN 0.909 nan 8.360 nan 0.000 0.466 259 G N -0.091 108.860 108.800 0.251 0.000 2.418 259 G HA2 -0.357 3.606 3.960 0.005 0.000 0.217 259 G HA3 -0.357 3.606 3.960 0.005 0.000 0.217 259 G C 1.507 176.464 174.900 0.095 0.000 1.158 259 G CA 0.885 46.069 45.100 0.140 0.000 0.771 259 G HN 0.414 nan 8.290 nan 0.000 0.545 260 Q N -0.286 119.587 119.800 0.122 0.000 2.124 260 Q HA -0.042 4.301 4.340 0.005 0.000 0.202 260 Q C 2.502 178.537 176.000 0.059 0.000 0.977 260 Q CA 1.082 56.964 55.803 0.132 0.000 0.850 260 Q CB -0.183 28.699 28.738 0.240 0.000 0.901 260 Q HN 0.586 nan 8.270 nan 0.000 0.429 261 I N 0.643 121.264 120.570 0.085 0.000 2.286 261 I HA -0.241 3.932 4.170 0.005 0.000 0.245 261 I C 1.602 177.708 176.117 -0.018 0.000 1.104 261 I CA 0.948 62.255 61.300 0.011 0.000 1.397 261 I CB -0.195 37.846 38.000 0.069 0.000 1.072 261 I HN 0.176 nan 8.210 nan 0.000 0.417 262 D N 0.364 120.796 120.400 0.053 0.000 2.144 262 D HA -0.146 4.497 4.640 0.005 0.000 0.199 262 D C 2.204 178.521 176.300 0.028 0.000 0.984 262 D CA 1.455 55.495 54.000 0.066 0.000 0.834 262 D CB -0.308 40.592 40.800 0.166 0.000 0.955 262 D HN 0.225 nan 8.370 nan 0.000 0.465 263 T N 0.340 114.901 114.554 0.013 0.000 2.737 263 T HA -0.055 4.299 4.350 0.005 0.000 0.265 263 T C 1.958 176.642 174.700 -0.026 0.000 1.038 263 T CA 1.378 63.481 62.100 0.005 0.000 1.144 263 T CB -0.256 68.625 68.868 0.022 0.000 0.866 263 T HN 0.176 nan 8.240 nan 0.000 0.434 264 A N 1.008 123.748 122.820 -0.133 0.000 2.070 264 A HA 0.186 4.509 4.320 0.005 0.000 0.220 264 A C 2.431 179.961 177.584 -0.090 0.000 1.159 264 A CA 1.718 53.636 52.037 -0.199 0.000 0.656 264 A CB -0.693 17.787 19.000 -0.865 0.000 0.800 264 A HN 0.506 nan 8.150 nan 0.000 0.453 265 A N -0.234 122.540 122.820 -0.076 0.000 1.984 265 A HA -0.015 4.308 4.320 0.005 0.000 0.214 265 A C 1.826 179.390 177.584 -0.033 0.000 1.173 265 A CA 1.304 53.319 52.037 -0.037 0.000 0.673 265 A CB -0.354 18.634 19.000 -0.021 0.000 0.830 265 A HN 0.485 nan 8.150 nan 0.000 0.453 266 N N -0.229 118.453 118.700 -0.031 0.000 2.216 266 N HA -0.066 4.677 4.740 0.005 0.000 0.183 266 N C 1.589 177.051 175.510 -0.080 0.000 1.017 266 N CA 1.290 54.320 53.050 -0.033 0.000 0.861 266 N CB -0.291 38.190 38.487 -0.009 0.000 0.986 266 N HN 0.302 nan 8.380 nan 0.000 0.428 267 M N 0.146 119.671 119.600 -0.125 0.000 2.229 267 M HA 0.015 4.498 4.480 0.005 0.000 0.264 267 M C 1.847 177.965 176.300 -0.305 0.000 1.063 267 M CA 1.035 56.159 55.300 -0.294 0.000 1.114 267 M CB -0.770 31.515 32.600 -0.525 0.000 1.387 267 M HN 0.113 nan 8.290 nan 0.000 0.420 268 R N 0.013 120.410 120.500 -0.171 0.000 2.075 268 R HA -0.017 4.326 4.340 0.005 0.000 0.232 268 R C 2.255 178.504 176.300 -0.085 0.000 1.126 268 R CA 1.471 57.508 56.100 -0.105 0.000 0.963 268 R CB -0.333 29.952 30.300 -0.025 0.000 0.858 268 R HN 0.379 nan 8.270 nan 0.000 0.435 269 A N 0.407 123.186 122.820 -0.068 0.000 2.066 269 A HA -0.041 4.282 4.320 0.005 0.000 0.218 269 A C 1.988 179.539 177.584 -0.056 0.000 1.157 269 A CA 0.867 52.876 52.037 -0.047 0.000 0.670 269 A CB -0.212 18.771 19.000 -0.028 0.000 0.804 269 A HN 0.178 nan 8.150 nan 0.000 0.453 270 L N -1.342 119.830 121.223 -0.084 0.000 2.095 270 L HA -0.003 4.340 4.340 0.005 0.000 0.204 270 L C 2.124 178.936 176.870 -0.095 0.000 1.080 270 L CA 1.011 55.802 54.840 -0.082 0.000 0.759 270 L CB -0.256 41.742 42.059 -0.102 0.000 0.914 270 L HN 0.392 nan 8.230 nan 0.000 0.439 271 M N -0.914 118.605 119.600 -0.134 0.000 2.453 271 M HA 0.119 4.602 4.480 0.005 0.000 0.239 271 M C 0.542 176.791 176.300 -0.085 0.000 1.151 271 M CA 0.009 55.236 55.300 -0.122 0.000 0.989 271 M CB -0.041 32.456 32.600 -0.172 0.000 1.548 271 M HN 0.002 nan 8.290 nan 0.000 0.479 272 R N 2.316 122.774 120.500 -0.070 0.000 2.480 272 R HA 0.153 4.496 4.340 0.005 0.000 0.303 272 R C 0.558 176.833 176.300 -0.042 0.000 0.985 272 R CA 0.994 57.067 56.100 -0.046 0.000 1.051 272 R CB -0.022 30.256 30.300 -0.036 0.000 0.935 272 R HN 0.595 nan 8.270 nan 0.000 0.410 273 G N 3.110 111.889 108.800 -0.035 0.000 2.353 273 G HA2 -0.276 3.687 3.960 0.005 0.000 0.294 273 G HA3 -0.276 3.687 3.960 0.005 0.000 0.294 273 G C -0.257 174.614 174.900 -0.048 0.000 1.077 273 G CA 0.514 45.593 45.100 -0.035 0.000 1.098 273 G HN 0.651 nan 8.290 nan 0.000 0.511 274 S N -0.885 114.786 115.700 -0.050 0.000 2.549 274 S HA 0.739 5.212 4.470 0.005 0.000 0.297 274 S C 1.525 176.093 174.600 -0.054 0.000 1.115 274 S CA 0.603 58.766 58.200 -0.062 0.000 1.059 274 S CB 1.621 64.782 63.200 -0.065 0.000 1.046 274 S HN 1.304 nan 8.310 nan 0.000 0.506 275 G N 2.565 111.326 108.800 -0.065 0.000 2.744 275 G HA2 0.131 4.095 3.960 0.005 0.000 0.211 275 G HA3 0.131 4.095 3.960 0.005 0.000 0.211 275 G C 0.976 175.846 174.900 -0.049 0.000 1.146 275 G CA 0.009 45.076 45.100 -0.054 0.000 0.787 275 G HN 0.654 nan 8.290 nan 0.000 0.534 276 L N 0.488 121.677 121.223 -0.056 0.000 2.375 276 L HA 0.145 4.489 4.340 0.005 0.000 0.215 276 L C 1.464 178.311 176.870 -0.038 0.000 1.108 276 L CA 0.161 54.971 54.840 -0.049 0.000 0.830 276 L CB -0.161 41.863 42.059 -0.057 0.000 0.959 276 L HN 0.000 nan 8.230 nan 0.000 0.457 277 T N 0.587 115.121 114.554 -0.034 0.000 2.813 277 T HA 0.325 4.678 4.350 0.005 0.000 0.297 277 T C -0.277 174.418 174.700 -0.009 0.000 1.036 277 T CA -0.147 61.943 62.100 -0.017 0.000 1.044 277 T CB 1.550 70.410 68.868 -0.014 0.000 0.993 277 T HN 0.047 nan 8.240 nan 0.000 0.535 278 V N -0.340 119.578 119.914 0.006 0.000 2.841 278 V HA 0.660 4.783 4.120 0.005 0.000 0.310 278 V C -0.666 175.448 176.094 0.032 0.000 1.090 278 V CA -1.118 61.186 62.300 0.006 0.000 0.930 278 V CB 2.168 33.984 31.823 -0.012 0.000 1.014 278 V HN 0.664 nan 8.190 nan 0.000 0.425 279 E N 1.577 121.795 120.200 0.031 0.000 2.313 279 E HA 0.246 4.600 4.350 0.005 0.000 0.272 279 E C 0.556 177.196 176.600 0.067 0.000 1.038 279 E CA -0.217 56.219 56.400 0.060 0.000 0.863 279 E CB 1.629 31.358 29.700 0.049 0.000 1.060 279 E HN 1.004 nan 8.360 nan 0.000 0.402 280 H N 2.722 121.798 119.070 0.011 0.000 2.289 280 H HA -0.189 4.371 4.556 0.005 0.000 0.296 280 H C 1.801 177.129 175.328 -0.001 0.000 1.091 280 H CA 2.754 58.803 56.048 0.003 0.000 1.274 280 H CB 0.071 29.833 29.762 0.001 0.000 1.364 280 H HN 0.645 nan 8.280 nan 0.000 0.490 281 A N 0.621 123.494 122.820 0.089 0.000 1.915 281 A HA -0.294 4.029 4.320 0.005 0.000 0.220 281 A C 2.143 179.700 177.584 -0.045 0.000 1.198 281 A CA 2.322 54.374 52.037 0.025 0.000 0.647 281 A CB -0.700 18.327 19.000 0.045 0.000 0.825 281 A HN 0.658 nan 8.150 nan 0.000 0.456 282 D N -0.602 119.776 120.400 -0.038 0.000 2.183 282 D HA -0.051 4.592 4.640 0.005 0.000 0.203 282 D C 1.989 178.241 176.300 -0.081 0.000 0.969 282 D CA 0.795 54.767 54.000 -0.046 0.000 0.842 282 D CB -0.214 40.571 40.800 -0.026 0.000 0.957 282 D HN 0.461 nan 8.370 nan 0.000 0.484 283 L N 0.765 121.912 121.223 -0.126 0.000 2.027 283 L HA -0.134 4.209 4.340 0.005 0.000 0.206 283 L C 2.719 179.472 176.870 -0.194 0.000 1.074 283 L CA 0.943 55.688 54.840 -0.158 0.000 0.745 283 L CB -0.139 41.797 42.059 -0.205 0.000 0.898 283 L HN -0.064 nan 8.230 nan 0.000 0.433 284 R N -0.017 120.309 120.500 -0.291 0.000 2.096 284 R HA -0.176 4.167 4.340 0.005 0.000 0.235 284 R C 2.305 178.537 176.300 -0.113 0.000 1.127 284 R CA 1.380 57.343 56.100 -0.229 0.000 0.968 284 R CB -0.067 30.093 30.300 -0.235 0.000 0.861 284 R HN 0.311 nan 8.270 nan 0.000 0.440 285 R N -0.076 120.371 120.500 -0.089 0.000 2.119 285 R HA -0.103 4.240 4.340 0.005 0.000 0.222 285 R C 2.259 178.530 176.300 -0.048 0.000 1.088 285 R CA 1.441 57.509 56.100 -0.053 0.000 0.984 285 R CB -0.074 30.203 30.300 -0.038 0.000 0.884 285 R HN 0.425 nan 8.270 nan 0.000 0.447 286 E N 0.920 121.086 120.200 -0.056 0.000 2.028 286 E HA -0.200 4.154 4.350 0.005 0.000 0.190 286 E C 1.908 178.481 176.600 -0.045 0.000 0.984 286 E CA 0.833 57.206 56.400 -0.045 0.000 0.800 286 E CB -0.095 29.579 29.700 -0.044 0.000 0.758 286 E HN 0.083 nan 8.360 nan 0.000 0.448 287 L N 1.494 122.681 121.223 -0.059 0.000 1.990 287 L HA -0.244 4.100 4.340 0.005 0.000 0.213 287 L C 2.569 179.411 176.870 -0.047 0.000 1.072 287 L CA 2.325 57.131 54.840 -0.057 0.000 0.755 287 L CB -1.107 40.908 42.059 -0.074 0.000 0.889 287 L HN 0.288 nan 8.230 nan 0.000 0.432 288 Q N 0.231 120.003 119.800 -0.047 0.000 2.096 288 Q HA -0.306 4.037 4.340 0.005 0.000 0.208 288 Q C 2.296 178.279 176.000 -0.028 0.000 0.993 288 Q CA 2.505 58.288 55.803 -0.035 0.000 0.862 288 Q CB -0.459 28.260 28.738 -0.032 0.000 0.915 288 Q HN 0.489 nan 8.270 nan 0.000 0.416 289 K N 0.035 120.419 120.400 -0.027 0.000 2.209 289 K HA -0.139 4.184 4.320 0.005 0.000 0.204 289 K C 1.253 177.840 176.600 -0.020 0.000 1.048 289 K CA 1.722 57.996 56.287 -0.021 0.000 0.940 289 K CB -0.550 31.938 32.500 -0.020 0.000 0.729 289 K HN 0.306 nan 8.250 nan 0.000 0.451 290 D N -0.004 120.382 120.400 -0.024 0.000 2.363 290 D HA -0.008 4.635 4.640 0.005 0.000 0.220 290 D C -0.443 175.844 176.300 -0.023 0.000 0.994 290 D CA 0.466 54.453 54.000 -0.022 0.000 0.890 290 D CB 0.268 41.053 40.800 -0.026 0.000 0.906 290 D HN 0.109 nan 8.370 nan 0.000 0.530 291 K N 1.354 121.740 120.400 -0.024 0.000 2.248 291 K HA 0.211 4.534 4.320 0.005 0.000 0.281 291 K C -0.134 176.456 176.600 -0.018 0.000 1.054 291 K CA -0.301 55.973 56.287 -0.023 0.000 0.903 291 K CB 1.620 34.105 32.500 -0.025 0.000 1.077 291 K HN 0.178 nan 8.250 nan 0.000 0.474 292 E N 1.339 121.529 120.200 -0.016 0.000 2.331 292 E HA 0.182 4.535 4.350 0.005 0.000 0.272 292 E C -0.218 176.374 176.600 -0.012 0.000 1.036 292 E CA -0.550 55.843 56.400 -0.013 0.000 0.864 292 E CB 1.166 30.859 29.700 -0.011 0.000 1.035 292 E HN 0.593 nan 8.360 nan 0.000 0.408 293 A N 2.151 124.965 122.820 -0.010 0.000 2.520 293 A HA 0.481 4.804 4.320 0.005 0.000 0.235 293 A C 0.606 178.184 177.584 -0.009 0.000 1.065 293 A CA 0.880 52.911 52.037 -0.010 0.000 0.764 293 A CB 0.083 19.079 19.000 -0.008 0.000 1.002 293 A HN 0.723 nan 8.150 nan 0.000 0.502 294 G N 0.572 109.366 108.800 -0.009 0.000 2.369 294 G HA2 0.379 4.342 3.960 0.005 0.000 0.293 294 G HA3 0.379 4.342 3.960 0.005 0.000 0.293 294 G C -0.998 173.896 174.900 -0.009 0.000 1.301 294 G CA -0.416 44.679 45.100 -0.009 0.000 0.913 294 G HN 0.850 nan 8.290 nan 0.000 0.540 295 K N 0.940 121.334 120.400 -0.008 0.000 3.174 295 K HA 0.509 4.832 4.320 0.005 0.000 0.207 295 K C -0.713 175.882 176.600 -0.009 0.000 1.190 295 K CA -0.382 55.900 56.287 -0.008 0.000 1.054 295 K CB 0.721 33.217 32.500 -0.007 0.000 1.154 295 K HN 0.655 nan 8.250 nan 0.000 0.495 296 D N -1.456 118.938 120.400 -0.011 0.000 2.801 296 D HA 0.343 4.986 4.640 0.005 0.000 0.277 296 D C -0.954 175.337 176.300 -0.014 0.000 1.125 296 D CA -0.988 53.005 54.000 -0.012 0.000 1.102 296 D CB 0.731 41.525 40.800 -0.011 0.000 1.400 296 D HN -0.092 nan 8.370 nan 0.000 0.601 297 V N -0.804 119.100 119.914 -0.016 0.000 2.435 297 V HA 0.507 4.631 4.120 0.005 0.000 0.290 297 V C -1.131 174.950 176.094 -0.022 0.000 1.030 297 V CA -0.163 62.126 62.300 -0.019 0.000 0.881 297 V CB 1.048 32.859 31.823 -0.019 0.000 0.983 297 V HN 0.536 nan 8.190 nan 0.000 0.445 298 Q N 4.423 124.207 119.800 -0.027 0.000 2.351 298 Q HA 0.617 4.960 4.340 0.005 0.000 0.273 298 Q C -1.002 174.975 176.000 -0.039 0.000 1.077 298 Q CA -0.912 54.874 55.803 -0.029 0.000 0.843 298 Q CB 2.485 31.206 28.738 -0.028 0.000 1.367 298 Q HN 0.766 nan 8.270 nan 0.000 0.449 299 R N 0.866 121.344 120.500 -0.037 0.000 2.295 299 R HA 0.463 4.806 4.340 0.005 0.000 0.324 299 R C -0.804 175.466 176.300 -0.049 0.000 0.968 299 R CA -0.291 55.781 56.100 -0.046 0.000 0.837 299 R CB 1.819 32.099 30.300 -0.033 0.000 1.133 299 R HN 0.373 nan 8.270 nan 0.000 0.450 300 S N 0.922 116.576 115.700 -0.077 0.000 2.638 300 S HA 0.194 4.668 4.470 0.005 0.000 0.302 300 S C 0.348 174.898 174.600 -0.083 0.000 1.096 300 S CA -0.635 57.521 58.200 -0.073 0.000 0.953 300 S CB 1.823 64.972 63.200 -0.086 0.000 1.107 300 S HN 0.710 nan 8.310 nan 0.000 0.503 301 E N 1.115 121.299 120.200 -0.027 0.000 2.472 301 E HA 0.343 4.697 4.350 0.005 0.000 0.196 301 E C -0.462 176.198 176.600 0.099 0.000 1.033 301 E CA 0.067 56.497 56.400 0.050 0.000 0.886 301 E CB 0.232 29.979 29.700 0.079 0.000 0.944 301 E HN 0.598 nan 8.360 nan 0.000 0.492 302 I N 1.161 121.730 120.570 -0.002 0.000 2.396 302 I HA 0.118 4.291 4.170 0.005 0.000 0.292 302 I C -0.675 175.414 176.117 -0.048 0.000 0.999 302 I CA -0.412 60.908 61.300 0.033 0.000 1.310 302 I CB 0.708 38.699 38.000 -0.016 0.000 1.404 302 I HN -0.049 nan 8.210 nan 0.000 0.496 303 Y N 5.963 126.231 120.300 -0.054 0.000 2.417 303 Y HA 0.195 4.748 4.550 0.005 0.000 0.336 303 Y C 0.773 176.640 175.900 -0.056 0.000 0.961 303 Y CA -0.613 57.462 58.100 -0.041 0.000 1.215 303 Y CB 1.453 39.888 38.460 -0.042 0.000 1.120 303 Y HN 0.518 nan 8.280 nan 0.000 0.499 304 L N 2.076 123.327 121.223 0.045 0.000 2.191 304 L HA -0.112 4.231 4.340 0.005 0.000 0.212 304 L C 0.297 177.228 176.870 0.101 0.000 1.103 304 L CA 1.900 56.758 54.840 0.030 0.000 0.769 304 L CB -0.076 41.997 42.059 0.023 0.000 0.908 304 L HN 0.606 nan 8.230 nan 0.000 0.438 305 Q N -0.322 119.559 119.800 0.135 0.000 2.305 305 Q HA 0.285 4.628 4.340 0.005 0.000 0.271 305 Q C -0.855 175.244 176.000 0.166 0.000 1.046 305 Q CA -0.921 54.962 55.803 0.134 0.000 0.798 305 Q CB 1.749 30.564 28.738 0.128 0.000 1.286 305 Q HN -0.103 nan 8.270 nan 0.000 0.435 306 K N 0.753 121.214 120.400 0.101 0.000 2.126 306 K HA 0.490 4.813 4.320 0.005 0.000 0.257 306 K C 0.021 176.734 176.600 0.189 0.000 1.007 306 K CA -0.260 56.094 56.287 0.111 0.000 0.928 306 K CB 0.571 33.097 32.500 0.044 0.000 1.013 306 K HN 0.730 nan 8.250 nan 0.000 0.473 307 A N 1.179 124.130 122.820 0.218 0.000 2.504 307 A HA -0.051 4.272 4.320 0.005 0.000 0.242 307 A C 0.695 178.438 177.584 0.263 0.000 1.100 307 A CA 0.218 52.361 52.037 0.177 0.000 0.786 307 A CB -0.244 18.798 19.000 0.070 0.000 1.050 307 A HN 0.629 nan 8.150 nan 0.000 0.512 308 Y N 0.923 121.240 120.300 0.030 0.000 2.151 308 Y HA -0.232 4.320 4.550 0.004 0.000 0.284 308 Y C 3.031 178.941 175.900 0.017 0.000 1.166 308 Y CA 1.902 60.010 58.100 0.014 0.000 1.163 308 Y CB -1.356 37.109 38.460 0.007 0.000 0.974 308 Y HN 0.763 nan 8.280 nan 0.000 0.511 309 S N -0.669 115.144 115.700 0.188 0.000 2.493 309 S HA -0.101 4.372 4.470 0.005 0.000 0.243 309 S C 1.441 176.104 174.600 0.105 0.000 0.991 309 S CA 1.181 59.448 58.200 0.111 0.000 0.957 309 S CB -0.690 62.548 63.200 0.063 0.000 0.756 309 S HN 0.497 nan 8.310 nan 0.000 0.521 310 L N -0.550 120.749 121.223 0.126 0.000 2.966 310 L HA 0.452 4.795 4.340 0.005 0.000 0.262 310 L C 2.162 179.099 176.870 0.111 0.000 1.165 310 L CA -0.016 54.907 54.840 0.137 0.000 0.978 310 L CB 0.220 42.368 42.059 0.148 0.000 1.337 310 L HN 0.271 nan 8.230 nan 0.000 0.563 311 R N 0.438 120.965 120.500 0.045 0.000 2.513 311 R HA 0.287 4.630 4.340 0.005 0.000 0.245 311 R C 1.064 177.271 176.300 -0.155 0.000 0.908 311 R CA 0.705 56.743 56.100 -0.103 0.000 1.023 311 R CB 0.534 30.801 30.300 -0.055 0.000 1.338 311 R HN 0.074 nan 8.270 nan 0.000 0.575 312 A N 0.854 123.632 122.820 -0.071 0.000 2.610 312 A HA 0.269 4.592 4.320 0.005 0.000 0.286 312 A C 0.845 178.422 177.584 -0.012 0.000 1.306 312 A CA -0.304 51.676 52.037 -0.094 0.000 0.942 312 A CB -0.140 18.765 19.000 -0.158 0.000 1.112 312 A HN 0.196 nan 8.150 nan 0.000 0.527 313 I N 0.656 121.256 120.570 0.050 0.000 2.142 313 I HA -0.080 4.093 4.170 0.005 0.000 0.240 313 I C -0.616 175.559 176.117 0.097 0.000 1.078 313 I CA 1.430 62.797 61.300 0.110 0.000 1.343 313 I CB -1.049 37.090 38.000 0.232 0.000 1.046 313 I HN 0.156 nan 8.210 nan 0.000 0.405 314 P HA -0.193 nan 4.420 nan 0.000 0.216 314 P C 1.584 178.941 177.300 0.095 0.000 1.150 314 P CA 1.491 64.671 63.100 0.132 0.000 0.843 314 P CB 0.013 31.878 31.700 0.274 0.000 0.787 315 Q N -1.187 118.646 119.800 0.055 0.000 2.033 315 Q HA -0.060 4.283 4.340 0.005 0.000 0.196 315 Q C 2.198 178.175 176.000 -0.039 0.000 0.970 315 Q CA 1.160 56.960 55.803 -0.005 0.000 0.828 315 Q CB -1.278 27.428 28.738 -0.054 0.000 0.895 315 Q HN 0.047 nan 8.270 nan 0.000 0.440 316 V N -0.288 119.610 119.914 -0.027 0.000 2.244 316 V HA -0.202 3.921 4.120 0.005 0.000 0.244 316 V C 2.095 178.174 176.094 -0.025 0.000 1.042 316 V CA 1.478 63.762 62.300 -0.027 0.000 1.006 316 V CB -0.508 31.311 31.823 -0.006 0.000 0.641 316 V HN 0.178 nan 8.190 nan 0.000 0.446 317 V N 0.948 120.860 119.914 -0.004 0.000 2.469 317 V HA -0.193 3.930 4.120 0.005 0.000 0.251 317 V C 2.564 178.636 176.094 -0.037 0.000 1.064 317 V CA 2.089 64.384 62.300 -0.009 0.000 1.066 317 V CB -1.441 30.391 31.823 0.015 0.000 0.667 317 V HN 0.631 nan 8.190 nan 0.000 0.461 318 G N -0.303 108.480 108.800 -0.028 0.000 2.404 318 G HA2 -0.181 3.782 3.960 0.005 0.000 0.215 318 G HA3 -0.181 3.782 3.960 0.005 0.000 0.215 318 G C 1.794 176.635 174.900 -0.097 0.000 1.174 318 G CA 0.937 46.011 45.100 -0.043 0.000 0.780 318 G HN 0.598 nan 8.290 nan 0.000 0.537 319 A N 0.219 122.974 122.820 -0.108 0.000 1.948 319 A HA -0.001 4.322 4.320 0.005 0.000 0.220 319 A C 2.607 180.120 177.584 -0.119 0.000 1.177 319 A CA 2.057 54.011 52.037 -0.138 0.000 0.636 319 A CB -0.637 18.283 19.000 -0.133 0.000 0.815 319 A HN 0.297 nan 8.150 nan 0.000 0.449 320 V N -0.217 119.637 119.914 -0.099 0.000 2.307 320 V HA -0.260 3.863 4.120 0.005 0.000 0.245 320 V C 2.584 178.578 176.094 -0.167 0.000 1.045 320 V CA 2.133 64.379 62.300 -0.089 0.000 1.024 320 V CB -0.866 30.925 31.823 -0.054 0.000 0.651 320 V HN 0.515 nan 8.190 nan 0.000 0.449 321 R N 0.056 120.402 120.500 -0.256 0.000 2.083 321 R HA -0.195 4.148 4.340 0.005 0.000 0.237 321 R C 2.138 177.915 176.300 -0.872 0.000 1.137 321 R CA 1.923 57.671 56.100 -0.586 0.000 0.951 321 R CB -0.553 29.425 30.300 -0.537 0.000 0.851 321 R HN 0.522 nan 8.270 nan 0.000 0.434 322 D N -0.485 119.659 120.400 -0.426 0.000 2.182 322 D HA -0.109 4.534 4.640 0.005 0.000 0.201 322 D C 1.682 177.970 176.300 -0.021 0.000 0.986 322 D CA 1.434 55.353 54.000 -0.134 0.000 0.847 322 D CB -0.144 40.651 40.800 -0.010 0.000 0.942 322 D HN 0.251 nan 8.370 nan 0.000 0.467 323 T N 0.656 115.173 114.554 -0.061 0.000 2.896 323 T HA 0.025 4.378 4.350 0.005 0.000 0.263 323 T C 2.221 176.994 174.700 0.122 0.000 1.050 323 T CA 0.345 62.471 62.100 0.043 0.000 1.140 323 T CB -0.006 68.874 68.868 0.020 0.000 0.877 323 T HN 0.130 nan 8.240 nan 0.000 0.457 324 L N -0.370 120.863 121.223 0.017 0.000 2.156 324 L HA -0.018 4.326 4.340 0.005 0.000 0.208 324 L C 2.439 179.440 176.870 0.218 0.000 1.095 324 L CA 1.014 55.901 54.840 0.078 0.000 0.770 324 L CB -0.610 41.445 42.059 -0.006 0.000 0.914 324 L HN 0.206 nan 8.230 nan 0.000 0.439 325 Y N -0.612 119.766 120.300 0.131 0.000 2.114 325 Y HA -0.276 4.278 4.550 0.006 0.000 0.284 325 Y C 2.854 178.860 175.900 0.177 0.000 1.143 325 Y CA 1.171 59.346 58.100 0.124 0.000 1.135 325 Y CB -1.228 37.294 38.460 0.103 0.000 0.980 325 Y HN 0.247 nan 8.280 nan 0.000 0.499 326 H N 0.007 119.257 119.070 0.300 0.000 2.352 326 H HA -0.138 4.422 4.556 0.007 0.000 0.299 326 H C 2.112 177.596 175.328 0.259 0.000 1.097 326 H CA 1.477 57.689 56.048 0.274 0.000 1.311 326 H CB 0.020 29.913 29.762 0.217 0.000 1.377 326 H HN 0.303 nan 8.280 nan 0.000 0.504 327 A N 1.445 124.443 122.820 0.298 0.000 1.902 327 A HA -0.171 4.153 4.320 0.005 0.000 0.217 327 A C 2.580 180.243 177.584 0.131 0.000 1.181 327 A CA 1.500 53.660 52.037 0.206 0.000 0.623 327 A CB -0.647 18.482 19.000 0.214 0.000 0.818 327 A HN 0.491 nan 8.150 nan 0.000 0.443 328 R N -1.234 119.366 120.500 0.167 0.000 2.115 328 R HA -0.172 4.172 4.340 0.005 0.000 0.230 328 R C 2.097 178.481 176.300 0.140 0.000 1.111 328 R CA 1.637 57.822 56.100 0.142 0.000 0.976 328 R CB -0.556 29.843 30.300 0.165 0.000 0.870 328 R HN 0.838 nan 8.270 nan 0.000 0.445 329 H N 0.447 119.522 119.070 0.008 0.000 2.276 329 H HA -0.062 4.497 4.556 0.005 0.000 0.301 329 H C 1.378 176.668 175.328 -0.064 0.000 1.073 329 H CA 1.246 57.270 56.048 -0.040 0.000 1.311 329 H CB 0.275 29.990 29.762 -0.079 0.000 1.379 329 H HN 0.050 nan 8.280 nan 0.000 0.494 330 K N 0.720 120.993 120.400 -0.211 0.000 2.103 330 K HA -0.136 4.188 4.320 0.005 0.000 0.207 330 K C 2.465 179.009 176.600 -0.094 0.000 1.048 330 K CA 0.709 56.854 56.287 -0.237 0.000 0.930 330 K CB -0.400 32.002 32.500 -0.164 0.000 0.716 330 K HN 0.387 nan 8.250 nan 0.000 0.444 331 L N 0.382 121.591 121.223 -0.024 0.000 2.027 331 L HA -0.136 4.207 4.340 0.005 0.000 0.206 331 L C 2.819 179.694 176.870 0.008 0.000 1.074 331 L CA 1.167 56.009 54.840 0.004 0.000 0.745 331 L CB -0.340 41.737 42.059 0.031 0.000 0.898 331 L HN 0.164 nan 8.230 nan 0.000 0.433 332 R N 0.470 120.987 120.500 0.029 0.000 2.127 332 R HA -0.173 4.171 4.340 0.005 0.000 0.238 332 R C 2.179 178.493 176.300 0.022 0.000 1.134 332 R CA 1.411 57.536 56.100 0.041 0.000 0.975 332 R CB -0.173 30.176 30.300 0.082 0.000 0.865 332 R HN 0.345 nan 8.270 nan 0.000 0.447 333 I N 0.068 120.631 120.570 -0.012 0.000 2.233 333 I HA -0.175 3.999 4.170 0.005 0.000 0.243 333 I C 2.266 178.369 176.117 -0.023 0.000 1.093 333 I CA 1.142 62.422 61.300 -0.033 0.000 1.380 333 I CB -0.317 37.617 38.000 -0.109 0.000 1.067 333 I HN 0.222 nan 8.210 nan 0.000 0.413 334 E N 1.549 121.733 120.200 -0.027 0.000 2.077 334 E HA -0.183 4.170 4.350 0.005 0.000 0.193 334 E C 2.206 178.805 176.600 -0.001 0.000 0.989 334 E CA 1.233 57.626 56.400 -0.012 0.000 0.800 334 E CB -0.269 29.425 29.700 -0.011 0.000 0.746 334 E HN 0.344 nan 8.360 nan 0.000 0.452 335 L N 0.496 121.720 121.223 0.002 0.000 2.043 335 L HA -0.178 4.166 4.340 0.005 0.000 0.212 335 L C 0.883 177.759 176.870 0.010 0.000 1.075 335 L CA 1.139 55.983 54.840 0.006 0.000 0.752 335 L CB -0.237 41.828 42.059 0.010 0.000 0.891 335 L HN 0.155 nan 8.230 nan 0.000 0.432 336 N N -0.149 118.559 118.700 0.012 0.000 2.453 336 N HA 0.083 4.827 4.740 0.005 0.000 0.270 336 N C -0.315 175.207 175.510 0.020 0.000 1.195 336 N CA 0.094 53.155 53.050 0.019 0.000 0.902 336 N CB 0.551 39.051 38.487 0.022 0.000 1.186 336 N HN 0.215 nan 8.380 nan 0.000 0.510 337 S N -1.297 114.412 115.700 0.015 0.000 2.607 337 S HA 0.705 5.178 4.470 0.005 0.000 0.303 337 S C 0.151 174.763 174.600 0.020 0.000 1.086 337 S CA -0.923 57.283 58.200 0.010 0.000 0.995 337 S CB 2.371 65.568 63.200 -0.005 0.000 1.084 337 S HN 0.100 nan 8.310 nan 0.000 0.507 338 A N 1.907 124.735 122.820 0.012 0.000 3.135 338 A HA 0.301 4.624 4.320 0.005 0.000 0.253 338 A C 0.479 178.076 177.584 0.022 0.000 1.638 338 A CA -0.793 51.259 52.037 0.025 0.000 1.295 338 A CB -1.838 17.163 19.000 0.003 0.000 1.106 338 A HN 0.899 nan 8.150 nan 0.000 0.648 339 N N 0.497 119.215 118.700 0.030 0.000 2.814 339 N HA 0.235 4.979 4.740 0.005 0.000 0.304 339 N C -0.518 175.043 175.510 0.085 0.000 1.211 339 N CA 0.066 53.145 53.050 0.049 0.000 1.158 339 N CB 0.131 38.648 38.487 0.050 0.000 1.458 339 N HN 0.475 nan 8.380 nan 0.000 0.519 340 D N 0.108 120.561 120.400 0.090 0.000 2.752 340 D HA 0.521 5.164 4.640 0.005 0.000 0.313 340 D C -1.712 174.683 176.300 0.159 0.000 1.225 340 D CA -0.815 53.262 54.000 0.129 0.000 0.976 340 D CB 1.479 42.321 40.800 0.069 0.000 1.443 340 D HN 0.369 nan 8.370 nan 0.000 0.515 341 N N -0.373 118.444 118.700 0.195 0.000 3.126 341 N HA 0.364 5.107 4.740 0.005 0.000 0.233 341 N C -3.022 172.597 175.510 0.182 0.000 1.069 341 N CA -0.783 52.384 53.050 0.195 0.000 1.071 341 N CB 2.082 40.737 38.487 0.281 0.000 1.683 341 N HN 0.055 nan 8.380 nan 0.000 0.586 342 P HA 0.373 nan 4.420 nan 0.000 0.279 342 P C -0.761 176.574 177.300 0.059 0.000 1.282 342 P CA -0.392 62.672 63.100 -0.061 0.000 0.788 342 P CB 0.732 32.194 31.700 -0.397 0.000 1.139 343 L N -0.083 121.250 121.223 0.184 0.000 2.342 343 L HA 0.538 4.881 4.340 0.005 0.000 0.271 343 L C -0.502 176.424 176.870 0.092 0.000 1.008 343 L CA -0.728 54.180 54.840 0.113 0.000 0.818 343 L CB 1.242 43.385 42.059 0.140 0.000 1.296 343 L HN 0.312 nan 8.230 nan 0.000 0.427 344 F N 2.618 122.407 119.950 -0.267 0.000 2.449 344 F HA 0.628 5.158 4.527 0.005 0.000 0.342 344 F C -1.148 174.460 175.800 -0.320 0.000 1.127 344 F CA -0.500 57.423 58.000 -0.129 0.000 0.975 344 F CB 0.896 39.866 39.000 -0.050 0.000 1.146 344 F HN 0.134 nan 8.300 nan 0.000 0.444 345 F N 2.818 122.532 119.950 -0.394 0.000 2.598 345 F HA 0.430 4.960 4.527 0.005 0.000 0.327 345 F C -0.427 175.004 175.800 -0.615 0.000 1.057 345 F CA -1.158 56.696 58.000 -0.244 0.000 0.957 345 F CB 1.577 40.524 39.000 -0.088 0.000 1.278 345 F HN 0.433 nan 8.300 nan 0.000 0.484 346 E N -0.161 120.005 120.200 -0.057 0.000 2.283 346 E HA 0.519 4.872 4.350 0.005 0.000 0.278 346 E C 0.683 177.273 176.600 -0.015 0.000 1.027 346 E CA -0.360 56.007 56.400 -0.055 0.000 0.843 346 E CB 1.364 31.122 29.700 0.097 0.000 1.062 346 E HN 0.889 nan 8.360 nan 0.000 0.401 347 G N 2.445 111.230 108.800 -0.026 0.000 2.184 347 G HA2 -0.277 3.686 3.960 0.005 0.000 0.264 347 G HA3 -0.277 3.686 3.960 0.005 0.000 0.264 347 G C 0.034 174.920 174.900 -0.024 0.000 0.975 347 G CA 0.465 45.559 45.100 -0.009 0.000 0.642 347 G HN 0.472 nan 8.290 nan 0.000 0.536 348 K N 0.029 120.403 120.400 -0.043 0.000 2.306 348 K HA 0.542 4.865 4.320 0.005 0.000 0.236 348 K C -0.061 176.539 176.600 0.000 0.000 1.013 348 K CA -0.930 55.341 56.287 -0.027 0.000 0.857 348 K CB 1.456 33.926 32.500 -0.050 0.000 1.214 348 K HN 0.156 nan 8.250 nan 0.000 0.449 349 E N 1.080 121.309 120.200 0.048 0.000 2.345 349 E HA 0.181 4.534 4.350 0.005 0.000 0.259 349 E C 0.180 176.903 176.600 0.205 0.000 1.117 349 E CA -0.528 55.931 56.400 0.098 0.000 0.913 349 E CB 0.697 30.445 29.700 0.080 0.000 1.057 349 E HN 0.333 nan 8.360 nan 0.000 0.432 350 I N 2.759 123.489 120.570 0.267 0.000 2.574 350 I HA -0.073 4.100 4.170 0.005 0.000 0.291 350 I C 0.533 176.956 176.117 0.511 0.000 1.131 350 I CA 0.142 61.685 61.300 0.405 0.000 1.352 350 I CB -1.628 36.666 38.000 0.490 0.000 1.431 350 I HN 0.356 nan 8.210 nan 0.000 0.543 351 F N 7.997 128.159 119.950 0.354 0.000 2.546 351 F HA 0.020 4.550 4.527 0.005 0.000 0.388 351 F C 0.278 176.229 175.800 0.252 0.000 1.051 351 F CA 0.129 58.314 58.000 0.308 0.000 1.130 351 F CB -0.063 39.162 39.000 0.375 0.000 1.044 351 F HN 0.361 nan 8.300 nan 0.000 0.553 352 H N 5.337 124.073 119.070 -0.557 0.000 2.724 352 H HA 0.479 5.038 4.556 0.005 0.000 0.278 352 H C 0.565 175.384 175.328 -0.849 0.000 1.159 352 H CA -0.110 55.646 56.048 -0.486 0.000 1.254 352 H CB 0.631 30.265 29.762 -0.213 0.000 1.412 352 H HN 0.772 nan 8.280 nan 0.000 0.488 353 G N 0.685 108.941 108.800 -0.906 0.000 3.264 353 G HA2 0.604 4.568 3.960 0.005 0.000 0.168 353 G HA3 0.604 4.568 3.960 0.005 0.000 0.168 353 G C -0.711 173.951 174.900 -0.397 0.000 1.145 353 G CA -0.314 44.395 45.100 -0.652 0.000 0.855 353 G HN 0.526 nan 8.290 nan 0.000 0.629 354 A N -0.578 121.989 122.820 -0.422 0.000 3.292 354 A HA 0.423 4.746 4.320 0.005 0.000 0.231 354 A C 0.276 177.389 177.584 -0.784 0.000 0.952 354 A CA -0.346 51.086 52.037 -1.010 0.000 1.044 354 A CB -0.373 18.361 19.000 -0.444 0.000 1.236 354 A HN 0.441 nan 8.150 nan 0.000 0.525 355 N N -0.097 118.292 118.700 -0.519 0.000 2.521 355 N HA 0.040 4.783 4.740 0.005 0.000 0.188 355 N C 0.956 176.404 175.510 -0.103 0.000 1.146 355 N CA 0.962 53.900 53.050 -0.187 0.000 0.893 355 N CB -0.210 38.259 38.487 -0.030 0.000 0.975 355 N HN 0.741 nan 8.380 nan 0.000 0.451 356 F N -1.185 118.832 119.950 0.113 0.000 2.780 356 F HA 0.163 4.693 4.527 0.005 0.000 0.299 356 F C 0.830 176.666 175.800 0.060 0.000 1.146 356 F CA -0.206 57.838 58.000 0.074 0.000 1.428 356 F CB -0.959 38.083 39.000 0.070 0.000 1.115 356 F HN 0.078 nan 8.300 nan 0.000 0.583 357 H N 2.082 121.307 119.070 0.258 0.000 3.089 357 H HA 0.261 4.820 4.556 0.005 0.000 0.262 357 H C 0.985 176.348 175.328 0.059 0.000 1.160 357 H CA 0.106 56.271 56.048 0.195 0.000 1.482 357 H CB 0.936 30.757 29.762 0.099 0.000 1.511 357 H HN 0.370 nan 8.280 nan 0.000 0.483 358 G N 3.957 112.774 108.800 0.029 0.000 3.375 358 G HA2 -0.110 3.854 3.960 0.005 0.000 0.247 358 G HA3 -0.110 3.854 3.960 0.005 0.000 0.247 358 G C 1.223 176.110 174.900 -0.021 0.000 1.343 358 G CA -0.249 44.856 45.100 0.010 0.000 1.368 358 G HN 0.521 nan 8.290 nan 0.000 0.549 359 Q N 0.990 120.845 119.800 0.092 0.000 2.124 359 Q HA -0.028 4.315 4.340 0.005 0.000 0.202 359 Q C -0.033 175.842 176.000 -0.209 0.000 0.977 359 Q CA 1.617 57.358 55.803 -0.103 0.000 0.850 359 Q CB -0.494 28.232 28.738 -0.019 0.000 0.901 359 Q HN 0.363 nan 8.270 nan 0.000 0.429 360 P HA -0.137 nan 4.420 nan 0.000 0.216 360 P C 0.622 177.937 177.300 0.025 0.000 1.150 360 P CA 1.104 64.225 63.100 0.034 0.000 0.837 360 P CB 0.002 31.718 31.700 0.027 0.000 0.786 361 I N -1.155 119.402 120.570 -0.021 0.000 2.703 361 I HA 0.025 4.198 4.170 0.005 0.000 0.259 361 I C 2.206 178.288 176.117 -0.059 0.000 1.151 361 I CA 0.639 61.928 61.300 -0.018 0.000 1.470 361 I CB -1.963 36.028 38.000 -0.015 0.000 1.112 361 I HN -0.127 nan 8.210 nan 0.000 0.437 362 A N 1.466 124.209 122.820 -0.129 0.000 1.883 362 A HA -0.221 4.102 4.320 0.005 0.000 0.217 362 A C 2.129 179.600 177.584 -0.189 0.000 1.186 362 A CA 1.672 53.603 52.037 -0.177 0.000 0.624 362 A CB -0.921 17.916 19.000 -0.272 0.000 0.822 362 A HN 0.258 nan 8.150 nan 0.000 0.444 363 F N 0.044 119.833 119.950 -0.267 0.000 2.113 363 F HA -0.046 4.485 4.527 0.007 0.000 0.297 363 F C 2.879 178.061 175.800 -1.030 0.000 1.103 363 F CA 0.297 57.875 58.000 -0.704 0.000 1.248 363 F CB -1.233 37.538 39.000 -0.380 0.000 0.999 363 F HN 0.280 nan 8.300 nan 0.000 0.475 364 A N -0.111 122.632 122.820 -0.129 0.000 1.892 364 A HA -0.238 4.086 4.320 0.005 0.000 0.218 364 A C 2.241 179.845 177.584 0.034 0.000 1.188 364 A CA 2.069 54.157 52.037 0.084 0.000 0.631 364 A CB -0.639 18.443 19.000 0.137 0.000 0.822 364 A HN 0.203 nan 8.150 nan 0.000 0.447 365 M N -0.493 119.092 119.600 -0.025 0.000 2.200 365 M HA -0.062 4.422 4.480 0.005 0.000 0.265 365 M C 1.453 177.756 176.300 0.006 0.000 1.066 365 M CA 1.220 56.529 55.300 0.013 0.000 1.127 365 M CB -1.595 31.010 32.600 0.009 0.000 1.379 365 M HN 0.316 nan 8.290 nan 0.000 0.420 366 D N -0.011 120.336 120.400 -0.088 0.000 2.144 366 D HA -0.116 4.527 4.640 0.005 0.000 0.199 366 D C 1.826 178.189 176.300 0.105 0.000 0.984 366 D CA 1.062 55.042 54.000 -0.034 0.000 0.834 366 D CB -0.121 40.629 40.800 -0.084 0.000 0.955 366 D HN 0.207 nan 8.370 nan 0.000 0.465 367 F N 0.173 120.190 119.950 0.111 0.000 2.206 367 F HA -0.058 4.472 4.527 0.004 0.000 0.298 367 F C 2.445 178.283 175.800 0.063 0.000 1.090 367 F CA 0.120 58.165 58.000 0.075 0.000 1.323 367 F CB -1.108 37.941 39.000 0.083 0.000 1.028 367 F HN -0.133 nan 8.300 nan 0.000 0.492 368 V N -0.462 119.596 119.914 0.241 0.000 2.358 368 V HA -0.273 3.851 4.120 0.005 0.000 0.246 368 V C 2.318 178.482 176.094 0.115 0.000 1.047 368 V CA 2.304 64.696 62.300 0.154 0.000 1.035 368 V CB -1.150 30.747 31.823 0.122 0.000 0.658 368 V HN 0.330 nan 8.190 nan 0.000 0.452 369 T N 0.440 115.058 114.554 0.108 0.000 2.665 369 T HA -0.197 4.156 4.350 0.005 0.000 0.268 369 T C 1.793 176.545 174.700 0.086 0.000 1.035 369 T CA 2.051 64.203 62.100 0.086 0.000 1.151 369 T CB -0.320 68.594 68.868 0.076 0.000 0.862 369 T HN 0.359 nan 8.240 nan 0.000 0.438 370 I N 1.060 121.695 120.570 0.109 0.000 2.252 370 I HA -0.151 4.022 4.170 0.005 0.000 0.245 370 I C 2.874 179.031 176.117 0.066 0.000 1.102 370 I CA 1.067 62.421 61.300 0.091 0.000 1.385 370 I CB -0.470 37.598 38.000 0.114 0.000 1.064 370 I HN 0.190 nan 8.210 nan 0.000 0.414 371 A N 0.918 123.781 122.820 0.071 0.000 1.858 371 A HA -0.160 4.163 4.320 0.005 0.000 0.216 371 A C 2.288 179.892 177.584 0.034 0.000 1.190 371 A CA 1.420 53.480 52.037 0.039 0.000 0.617 371 A CB -0.967 18.056 19.000 0.038 0.000 0.827 371 A HN 0.373 nan 8.150 nan 0.000 0.443 372 L N -0.611 120.640 121.223 0.047 0.000 2.191 372 L HA -0.150 4.193 4.340 0.005 0.000 0.212 372 L C 2.672 179.567 176.870 0.042 0.000 1.103 372 L CA 1.502 56.368 54.840 0.043 0.000 0.769 372 L CB -0.563 41.527 42.059 0.051 0.000 0.908 372 L HN 0.378 nan 8.230 nan 0.000 0.438 373 T N -1.397 113.183 114.554 0.044 0.000 2.777 373 T HA -0.229 4.124 4.350 0.005 0.000 0.266 373 T C 1.810 176.531 174.700 0.035 0.000 1.040 373 T CA 1.259 63.383 62.100 0.041 0.000 1.141 373 T CB -0.031 68.863 68.868 0.044 0.000 0.868 373 T HN 0.199 nan 8.240 nan 0.000 0.444 374 Q N 0.727 120.544 119.800 0.030 0.000 2.224 374 Q HA 0.033 4.376 4.340 0.005 0.000 0.203 374 Q C 1.999 178.013 176.000 0.023 0.000 0.970 374 Q CA 1.025 56.842 55.803 0.023 0.000 0.865 374 Q CB -0.628 28.118 28.738 0.013 0.000 0.922 374 Q HN 0.453 nan 8.270 nan 0.000 0.445 375 L N -0.581 120.656 121.223 0.024 0.000 2.093 375 L HA 0.067 4.411 4.340 0.005 0.000 0.208 375 L C 1.982 178.870 176.870 0.031 0.000 1.085 375 L CA 2.137 56.992 54.840 0.025 0.000 0.755 375 L CB -0.840 41.234 42.059 0.025 0.000 0.904 375 L HN 0.307 nan 8.230 nan 0.000 0.435 376 G N -1.354 107.467 108.800 0.035 0.000 2.408 376 G HA2 -0.154 3.809 3.960 0.005 0.000 0.217 376 G HA3 -0.154 3.809 3.960 0.005 0.000 0.217 376 G C 1.490 176.412 174.900 0.035 0.000 1.150 376 G CA 0.867 45.990 45.100 0.038 0.000 0.776 376 G HN 0.302 nan 8.290 nan 0.000 0.542 377 V N 0.817 120.751 119.914 0.034 0.000 2.343 377 V HA -0.148 3.976 4.120 0.005 0.000 0.247 377 V C 2.661 178.774 176.094 0.032 0.000 1.051 377 V CA 1.624 63.944 62.300 0.033 0.000 1.036 377 V CB -0.493 31.350 31.823 0.032 0.000 0.654 377 V HN 0.357 nan 8.190 nan 0.000 0.451 378 L N 1.029 122.271 121.223 0.031 0.000 1.994 378 L HA -0.055 4.288 4.340 0.005 0.000 0.208 378 L C 2.486 179.371 176.870 0.024 0.000 1.071 378 L CA 2.421 57.280 54.840 0.032 0.000 0.745 378 L CB -1.284 40.794 42.059 0.032 0.000 0.892 378 L HN 0.221 nan 8.230 nan 0.000 0.431 379 A N -0.255 122.578 122.820 0.022 0.000 1.883 379 A HA -0.292 4.031 4.320 0.005 0.000 0.217 379 A C 2.210 179.800 177.584 0.010 0.000 1.186 379 A CA 1.982 54.026 52.037 0.012 0.000 0.624 379 A CB -0.847 18.166 19.000 0.022 0.000 0.822 379 A HN 0.677 nan 8.150 nan 0.000 0.444 380 E N -0.202 120.011 120.200 0.021 0.000 2.051 380 E HA -0.211 4.142 4.350 0.005 0.000 0.192 380 E C 2.002 178.609 176.600 0.012 0.000 0.991 380 E CA 1.493 57.907 56.400 0.023 0.000 0.799 380 E CB -0.275 29.445 29.700 0.034 0.000 0.748 380 E HN 0.379 nan 8.360 nan 0.000 0.449 381 R N 0.278 120.785 120.500 0.012 0.000 2.193 381 R HA -0.078 4.265 4.340 0.005 0.000 0.229 381 R C 2.316 178.608 176.300 -0.014 0.000 1.110 381 R CA 1.485 57.586 56.100 0.003 0.000 0.988 381 R CB -0.436 29.872 30.300 0.014 0.000 0.871 381 R HN 0.490 nan 8.270 nan 0.000 0.458 382 Q N 0.039 119.832 119.800 -0.012 0.000 2.083 382 Q HA 0.016 4.359 4.340 0.005 0.000 0.198 382 Q C 2.150 178.118 176.000 -0.054 0.000 0.969 382 Q CA 1.021 56.807 55.803 -0.028 0.000 0.838 382 Q CB -0.003 28.719 28.738 -0.026 0.000 0.900 382 Q HN 0.287 nan 8.270 nan 0.000 0.436 383 I N 0.653 121.196 120.570 -0.045 0.000 2.361 383 I HA -0.265 3.909 4.170 0.005 0.000 0.251 383 I C 1.999 178.076 176.117 -0.066 0.000 1.133 383 I CA 1.037 62.303 61.300 -0.056 0.000 1.413 383 I CB -0.253 37.736 38.000 -0.017 0.000 1.073 383 I HN 0.280 nan 8.210 nan 0.000 0.424 384 N N 1.066 119.735 118.700 -0.052 0.000 2.216 384 N HA -0.198 4.545 4.740 0.005 0.000 0.183 384 N C 1.975 177.411 175.510 -0.123 0.000 1.017 384 N CA 0.885 53.895 53.050 -0.067 0.000 0.861 384 N CB -0.018 38.449 38.487 -0.034 0.000 0.986 384 N HN 0.049 nan 8.380 nan 0.000 0.428 385 R N -0.274 120.156 120.500 -0.117 0.000 2.096 385 R HA 0.006 4.349 4.340 0.005 0.000 0.235 385 R C 1.862 178.038 176.300 -0.207 0.000 1.127 385 R CA 1.009 57.011 56.100 -0.163 0.000 0.968 385 R CB -0.561 29.669 30.300 -0.116 0.000 0.861 385 R HN 0.196 nan 8.270 nan 0.000 0.440 386 V N -0.139 119.673 119.914 -0.170 0.000 2.788 386 V HA 0.044 4.167 4.120 0.005 0.000 0.251 386 V C 1.596 177.555 176.094 -0.224 0.000 1.068 386 V CA 1.066 63.258 62.300 -0.179 0.000 1.090 386 V CB 0.022 31.752 31.823 -0.155 0.000 0.710 386 V HN 0.352 nan 8.190 nan 0.000 0.467 387 L N 0.088 121.165 121.223 -0.244 0.000 2.446 387 L HA 0.180 4.523 4.340 0.005 0.000 0.219 387 L C 0.877 177.373 176.870 -0.624 0.000 1.116 387 L CA 0.216 54.854 54.840 -0.338 0.000 0.844 387 L CB -0.181 41.768 42.059 -0.182 0.000 0.970 387 L HN 0.282 nan 8.230 nan 0.000 0.457 388 N N 1.053 119.474 118.700 -0.466 0.000 2.437 388 N HA 0.038 4.781 4.740 0.005 0.000 0.243 388 N C 1.217 176.475 175.510 -0.420 0.000 1.041 388 N CA -0.137 52.626 53.050 -0.478 0.000 0.940 388 N CB 1.044 39.356 38.487 -0.291 0.000 1.133 388 N HN 0.202 nan 8.380 nan 0.000 0.506 389 R N 3.072 123.279 120.500 -0.487 0.000 2.204 389 R HA -0.207 4.137 4.340 0.005 0.000 0.253 389 R C 0.495 176.592 176.300 -0.338 0.000 1.172 389 R CA 1.800 57.660 56.100 -0.399 0.000 0.994 389 R CB -0.520 29.534 30.300 -0.410 0.000 0.874 389 R HN 0.632 nan 8.270 nan 0.000 0.462 390 H N -0.021 118.934 119.070 -0.192 0.000 2.436 390 H HA 0.138 4.698 4.556 0.005 0.000 0.294 390 H C 1.538 176.692 175.328 -0.290 0.000 1.048 390 H CA 1.191 57.136 56.048 -0.172 0.000 1.353 390 H CB 0.243 29.933 29.762 -0.122 0.000 1.414 390 H HN 0.146 nan 8.280 nan 0.000 0.536 391 L N -0.807 120.252 121.223 -0.274 0.000 2.616 391 L HA 0.150 4.493 4.340 0.005 0.000 0.229 391 L C 2.074 178.504 176.870 -0.732 0.000 1.110 391 L CA 0.006 54.526 54.840 -0.532 0.000 0.884 391 L CB 0.271 42.114 42.059 -0.360 0.000 1.115 391 L HN 0.106 nan 8.230 nan 0.000 0.481 392 S N -0.377 115.046 115.700 -0.462 0.000 2.423 392 S HA -0.145 4.329 4.470 0.005 0.000 0.231 392 S C 0.529 175.012 174.600 -0.195 0.000 1.014 392 S CA 0.632 58.641 58.200 -0.318 0.000 0.965 392 S CB -0.123 62.941 63.200 -0.227 0.000 0.785 392 S HN 0.534 nan 8.310 nan 0.000 0.495 393 Y N -1.069 119.155 120.300 -0.128 0.000 4.234 393 Y HA -0.171 4.382 4.550 0.005 0.000 0.239 393 Y C 1.192 177.050 175.900 -0.069 0.000 1.197 393 Y CA 0.673 58.703 58.100 -0.117 0.000 2.027 393 Y CB -1.709 36.673 38.460 -0.130 0.000 1.619 393 Y HN 0.360 nan 8.280 nan 0.000 0.704 394 G N -1.704 107.121 108.800 0.042 0.000 2.541 394 G HA2 -0.210 3.753 3.960 0.005 0.000 0.201 394 G HA3 -0.210 3.753 3.960 0.005 0.000 0.201 394 G C 0.194 175.085 174.900 -0.015 0.000 1.026 394 G CA -0.367 44.747 45.100 0.023 0.000 0.687 394 G HN 0.329 nan 8.290 nan 0.000 0.492 395 L N 3.569 124.773 121.223 -0.032 0.000 2.543 395 L HA 0.245 4.588 4.340 0.005 0.000 0.285 395 L C -1.143 175.683 176.870 -0.073 0.000 1.236 395 L CA -1.051 53.757 54.840 -0.053 0.000 0.871 395 L CB -0.148 41.866 42.059 -0.075 0.000 1.121 395 L HN 0.180 nan 8.230 nan 0.000 0.501 396 P HA 0.050 nan 4.420 nan 0.000 0.272 396 P C -0.870 176.394 177.300 -0.059 0.000 1.230 396 P CA -0.519 62.559 63.100 -0.036 0.000 0.788 396 P CB 0.405 32.109 31.700 0.007 0.000 0.949 397 E N 0.827 121.003 120.200 -0.040 0.000 2.694 397 E HA -0.043 4.310 4.350 0.005 0.000 0.250 397 E C -0.184 176.499 176.600 0.138 0.000 0.963 397 E CA 0.563 56.943 56.400 -0.032 0.000 0.949 397 E CB -1.086 28.692 29.700 0.130 0.000 0.911 397 E HN 0.252 nan 8.360 nan 0.000 0.500 398 F N 2.088 122.017 119.950 -0.035 0.000 3.097 398 F HA -0.301 4.229 4.527 0.005 0.000 0.278 398 F C 0.333 176.159 175.800 0.045 0.000 0.917 398 F CA 0.503 58.504 58.000 0.001 0.000 0.962 398 F CB -1.845 37.170 39.000 0.024 0.000 0.964 398 F HN 0.525 nan 8.300 nan 0.000 0.668 399 L N -2.455 118.821 121.223 0.087 0.000 3.660 399 L HA -0.265 4.078 4.340 0.005 0.000 0.440 399 L C 0.032 176.995 176.870 0.155 0.000 1.262 399 L CA -0.078 54.803 54.840 0.069 0.000 0.837 399 L CB -1.938 40.102 42.059 -0.031 0.000 1.689 399 L HN 0.092 nan 8.230 nan 0.000 0.890 400 V N 0.162 120.166 119.914 0.149 0.000 2.427 400 V HA 0.057 4.180 4.120 0.005 0.000 0.268 400 V C 1.523 177.672 176.094 0.092 0.000 1.046 400 V CA 1.128 63.511 62.300 0.139 0.000 0.970 400 V CB 1.555 33.470 31.823 0.154 0.000 1.001 400 V HN 0.556 nan 8.190 nan 0.000 0.476 401 S N 4.303 120.044 115.700 0.067 0.000 2.343 401 S HA -0.055 4.418 4.470 0.005 0.000 0.219 401 S C 1.392 176.021 174.600 0.048 0.000 1.033 401 S CA 1.694 59.920 58.200 0.043 0.000 1.014 401 S CB -0.206 63.003 63.200 0.016 0.000 0.915 401 S HN 0.959 nan 8.310 nan 0.000 0.435 402 G N 0.046 108.882 108.800 0.059 0.000 3.137 402 G HA2 0.311 4.274 3.960 0.005 0.000 0.163 402 G HA3 0.311 4.274 3.960 0.005 0.000 0.163 402 G C -1.079 173.898 174.900 0.128 0.000 1.602 402 G CA -0.400 44.762 45.100 0.103 0.000 1.067 402 G HN 0.421 nan 8.290 nan 0.000 0.568 403 D N 1.960 122.458 120.400 0.162 0.000 2.308 403 D HA 0.366 5.010 4.640 0.005 0.000 0.251 403 D C -1.903 174.463 176.300 0.112 0.000 1.127 403 D CA -0.628 53.435 54.000 0.105 0.000 0.876 403 D CB 1.719 42.556 40.800 0.061 0.000 1.176 403 D HN 0.053 nan 8.370 nan 0.000 0.446 404 P HA 0.139 nan 4.420 nan 0.000 0.275 404 P C 1.063 178.387 177.300 0.039 0.000 1.266 404 P CA -0.219 62.931 63.100 0.084 0.000 0.793 404 P CB 0.854 32.603 31.700 0.082 0.000 1.074 405 G N -0.155 108.662 108.800 0.028 0.000 3.639 405 G HA2 -0.372 3.591 3.960 0.005 0.000 0.224 405 G HA3 -0.372 3.591 3.960 0.005 0.000 0.224 405 G C 0.899 175.774 174.900 -0.042 0.000 1.339 405 G CA 0.595 45.692 45.100 -0.005 0.000 0.933 405 G HN 0.562 nan 8.290 nan 0.000 0.568 406 L N 1.599 122.777 121.223 -0.075 0.000 2.056 406 L HA 0.308 4.651 4.340 0.005 0.000 0.207 406 L C 1.163 177.863 176.870 -0.282 0.000 1.078 406 L CA 2.032 56.753 54.840 -0.198 0.000 0.749 406 L CB -0.539 41.361 42.059 -0.264 0.000 0.901 406 L HN 0.614 nan 8.230 nan 0.000 0.433 407 H N -2.145 116.925 119.070 0.001 0.000 2.495 407 H HA 0.336 4.895 4.556 0.005 0.000 0.348 407 H C 0.969 176.288 175.328 -0.015 0.000 1.113 407 H CA -0.047 55.999 56.048 -0.004 0.000 1.195 407 H CB 1.504 31.273 29.762 0.012 0.000 1.521 407 H HN -0.098 nan 8.280 nan 0.000 0.509 408 S N 1.957 117.709 115.700 0.086 0.000 2.458 408 S HA 0.109 4.582 4.470 0.005 0.000 0.223 408 S C 1.615 176.215 174.600 -0.001 0.000 1.019 408 S CA 0.461 58.639 58.200 -0.036 0.000 0.937 408 S CB 0.169 63.308 63.200 -0.102 0.000 0.788 408 S HN 1.073 nan 8.310 nan 0.000 0.511 409 G N 1.666 110.494 108.800 0.048 0.000 2.609 409 G HA2 -0.317 3.646 3.960 0.005 0.000 0.288 409 G HA3 -0.317 3.646 3.960 0.005 0.000 0.288 409 G C 0.346 175.259 174.900 0.021 0.000 1.211 409 G CA 0.456 45.615 45.100 0.099 0.000 0.963 409 G HN 0.417 nan 8.290 nan 0.000 0.541 410 F N 3.193 123.162 119.950 0.032 0.000 2.664 410 F HA 0.558 5.088 4.527 0.005 0.000 0.303 410 F C 2.578 178.342 175.800 -0.061 0.000 1.092 410 F CA 1.155 59.157 58.000 0.002 0.000 1.305 410 F CB 0.217 39.239 39.000 0.037 0.000 1.054 410 F HN 0.606 nan 8.300 nan 0.000 0.565 411 A N 0.349 123.149 122.820 -0.032 0.000 1.892 411 A HA -0.190 4.133 4.320 0.005 0.000 0.218 411 A C 2.556 179.820 177.584 -0.533 0.000 1.188 411 A CA 2.144 53.952 52.037 -0.383 0.000 0.631 411 A CB -1.375 17.147 19.000 -0.796 0.000 0.822 411 A HN 0.400 nan 8.150 nan 0.000 0.447 412 G N -1.517 107.093 108.800 -0.318 0.000 2.572 412 G HA2 0.206 4.169 3.960 0.005 0.000 0.216 412 G HA3 0.206 4.169 3.960 0.005 0.000 0.216 412 G C 1.517 176.303 174.900 -0.190 0.000 1.133 412 G CA 1.106 46.086 45.100 -0.200 0.000 0.791 412 G HN 0.774 nan 8.290 nan 0.000 0.538 413 A N 0.296 123.002 122.820 -0.189 0.000 1.929 413 A HA -0.003 4.320 4.320 0.005 0.000 0.216 413 A C 2.150 179.709 177.584 -0.042 0.000 1.176 413 A CA 1.660 53.644 52.037 -0.089 0.000 0.628 413 A CB -0.370 18.597 19.000 -0.056 0.000 0.816 413 A HN 0.402 nan 8.150 nan 0.000 0.444 414 Q N -1.550 118.179 119.800 -0.117 0.000 2.364 414 Q HA -0.198 4.146 4.340 0.005 0.000 0.209 414 Q C 1.365 177.341 176.000 -0.039 0.000 0.977 414 Q CA 1.243 57.001 55.803 -0.076 0.000 0.885 414 Q CB -0.178 28.510 28.738 -0.083 0.000 0.941 414 Q HN 0.752 nan 8.270 nan 0.000 0.464 415 Y N 0.716 121.045 120.300 0.048 0.000 2.163 415 Y HA -0.106 4.447 4.550 0.005 0.000 0.288 415 Y C -0.560 175.353 175.900 0.021 0.000 1.136 415 Y CA 0.762 58.878 58.100 0.027 0.000 1.147 415 Y CB -1.687 36.775 38.460 0.004 0.000 0.987 415 Y HN 0.294 nan 8.280 nan 0.000 0.509 416 P HA -0.128 nan 4.420 nan 0.000 0.218 416 P C 1.289 178.638 177.300 0.082 0.000 1.149 416 P CA 2.101 65.260 63.100 0.097 0.000 0.817 416 P CB -0.062 31.675 31.700 0.062 0.000 0.785 417 A N 0.015 122.884 122.820 0.082 0.000 1.872 417 A HA -0.103 4.220 4.320 0.005 0.000 0.214 417 A C 2.302 179.930 177.584 0.072 0.000 1.187 417 A CA 2.241 54.320 52.037 0.070 0.000 0.614 417 A CB -1.809 17.230 19.000 0.063 0.000 0.826 417 A HN 0.185 nan 8.150 nan 0.000 0.442 418 T N 0.519 115.128 114.554 0.092 0.000 2.746 418 T HA -0.005 4.348 4.350 0.005 0.000 0.267 418 T C 2.194 176.942 174.700 0.081 0.000 1.039 418 T CA 1.499 63.655 62.100 0.093 0.000 1.142 418 T CB -0.451 68.498 68.868 0.135 0.000 0.866 418 T HN 0.567 nan 8.240 nan 0.000 0.444 419 A N 1.222 124.094 122.820 0.087 0.000 1.933 419 A HA 0.053 4.377 4.320 0.005 0.000 0.218 419 A C 2.304 179.917 177.584 0.048 0.000 1.175 419 A CA 1.091 53.164 52.037 0.061 0.000 0.628 419 A CB -0.848 18.186 19.000 0.057 0.000 0.814 419 A HN 0.465 nan 8.150 nan 0.000 0.444 420 L N -0.601 120.652 121.223 0.052 0.000 2.141 420 L HA -0.143 4.201 4.340 0.005 0.000 0.209 420 L C 2.480 179.376 176.870 0.042 0.000 1.094 420 L CA 0.775 55.642 54.840 0.044 0.000 0.763 420 L CB -0.389 41.698 42.059 0.046 0.000 0.908 420 L HN 0.246 nan 8.230 nan 0.000 0.437 421 V N -0.037 119.904 119.914 0.045 0.000 2.407 421 V HA -0.311 3.812 4.120 0.005 0.000 0.248 421 V C 2.674 178.790 176.094 0.038 0.000 1.055 421 V CA 1.885 64.210 62.300 0.042 0.000 1.049 421 V CB -0.756 31.092 31.823 0.043 0.000 0.662 421 V HN 0.501 nan 8.190 nan 0.000 0.455 422 A N -0.297 122.545 122.820 0.037 0.000 1.897 422 A HA -0.224 4.099 4.320 0.005 0.000 0.215 422 A C 2.260 179.861 177.584 0.029 0.000 1.181 422 A CA 1.709 53.765 52.037 0.032 0.000 0.620 422 A CB -0.456 18.562 19.000 0.030 0.000 0.821 422 A HN 0.628 nan 8.150 nan 0.000 0.443 423 E N 0.082 120.300 120.200 0.029 0.000 2.110 423 E HA -0.227 4.126 4.350 0.005 0.000 0.193 423 E C 1.690 178.307 176.600 0.028 0.000 0.988 423 E CA 1.409 57.824 56.400 0.026 0.000 0.804 423 E CB -0.156 29.559 29.700 0.025 0.000 0.745 423 E HN 0.513 nan 8.360 nan 0.000 0.458 424 N N 0.538 119.257 118.700 0.032 0.000 2.166 424 N HA -0.118 4.625 4.740 0.005 0.000 0.186 424 N C 1.593 177.125 175.510 0.035 0.000 1.019 424 N CA 0.953 54.024 53.050 0.035 0.000 0.856 424 N CB -0.171 38.338 38.487 0.038 0.000 0.993 424 N HN 0.172 nan 8.380 nan 0.000 0.426 425 R N -0.111 120.409 120.500 0.033 0.000 2.280 425 R HA 0.002 4.345 4.340 0.005 0.000 0.207 425 R C 1.641 177.959 176.300 0.031 0.000 1.043 425 R CA 1.207 57.327 56.100 0.033 0.000 1.006 425 R CB -0.109 30.209 30.300 0.030 0.000 0.885 425 R HN 0.374 nan 8.270 nan 0.000 0.467 426 T N -1.897 112.674 114.554 0.028 0.000 3.088 426 T HA 0.148 4.501 4.350 0.005 0.000 0.259 426 T C 0.807 175.524 174.700 0.028 0.000 1.122 426 T CA 0.146 62.262 62.100 0.026 0.000 1.095 426 T CB -0.022 68.859 68.868 0.021 0.000 0.930 426 T HN -0.007 nan 8.240 nan 0.000 0.508 427 I N 2.614 123.203 120.570 0.031 0.000 2.322 427 I HA 0.479 4.652 4.170 0.005 0.000 0.292 427 I C 1.013 177.154 176.117 0.041 0.000 1.060 427 I CA -0.688 60.633 61.300 0.034 0.000 1.309 427 I CB 0.659 38.680 38.000 0.036 0.000 1.415 427 I HN 0.189 nan 8.210 nan 0.000 0.492 428 G N 6.460 115.284 108.800 0.040 0.000 2.437 428 G HA2 0.590 4.554 3.960 0.005 0.000 0.319 428 G HA3 0.590 4.554 3.960 0.005 0.000 0.319 428 G C -2.668 172.264 174.900 0.053 0.000 1.158 428 G CA -1.462 43.667 45.100 0.047 0.000 0.899 428 G HN 0.313 nan 8.290 nan 0.000 0.502 429 P HA 0.216 nan 4.420 nan 0.000 0.264 429 P C 0.303 177.640 177.300 0.062 0.000 1.183 429 P CA 0.270 63.415 63.100 0.075 0.000 0.763 429 P CB 1.329 33.090 31.700 0.103 0.000 0.807 430 A N 1.992 124.841 122.820 0.049 0.000 2.259 430 A HA 0.029 4.352 4.320 0.005 0.000 0.213 430 A C 1.833 179.435 177.584 0.029 0.000 1.209 430 A CA 0.707 52.765 52.037 0.035 0.000 0.910 430 A CB -0.778 18.235 19.000 0.021 0.000 0.946 430 A HN 0.503 nan 8.150 nan 0.000 0.497 431 S N 0.355 116.074 115.700 0.033 0.000 2.500 431 S HA -0.113 4.360 4.470 0.005 0.000 0.239 431 S C 1.388 176.023 174.600 0.058 0.000 0.989 431 S CA 1.706 59.903 58.200 -0.005 0.000 0.951 431 S CB -0.902 62.284 63.200 -0.023 0.000 0.759 431 S HN 0.722 nan 8.310 nan 0.000 0.523 432 T N -2.261 112.360 114.554 0.113 0.000 3.129 432 T HA 0.297 4.650 4.350 0.005 0.000 0.267 432 T C 0.689 175.439 174.700 0.083 0.000 1.018 432 T CA -0.501 61.677 62.100 0.131 0.000 0.903 432 T CB 0.112 69.076 68.868 0.160 0.000 1.067 432 T HN 0.219 nan 8.240 nan 0.000 0.549 433 Q N 1.862 121.696 119.800 0.057 0.000 2.237 433 Q HA 0.302 4.646 4.340 0.005 0.000 0.252 433 Q C 0.318 176.338 176.000 0.034 0.000 0.877 433 Q CA -0.112 55.718 55.803 0.044 0.000 1.011 433 Q CB 0.694 29.453 28.738 0.035 0.000 1.118 433 Q HN 0.523 nan 8.270 nan 0.000 0.458 434 S N 0.519 116.243 115.700 0.040 0.000 2.552 434 S HA 0.184 4.657 4.470 0.005 0.000 0.289 434 S C 0.038 174.659 174.600 0.035 0.000 1.304 434 S CA -0.215 58.007 58.200 0.036 0.000 1.063 434 S CB 0.401 63.634 63.200 0.056 0.000 0.848 434 S HN 0.128 nan 8.310 nan 0.000 0.499 435 V N 7.953 127.883 119.914 0.027 0.000 2.531 435 V HA 0.477 4.600 4.120 0.005 0.000 0.301 435 V C -2.021 174.090 176.094 0.027 0.000 1.034 435 V CA -1.728 60.588 62.300 0.026 0.000 0.865 435 V CB 1.599 33.434 31.823 0.019 0.000 0.995 435 V HN 0.852 nan 8.190 nan 0.000 0.424 436 P HA 0.342 nan 4.420 nan 0.000 0.269 436 P C -0.408 176.909 177.300 0.028 0.000 1.209 436 P CA 0.276 63.396 63.100 0.034 0.000 0.776 436 P CB 1.354 33.075 31.700 0.034 0.000 0.876 437 S N 0.592 116.311 115.700 0.031 0.000 2.655 437 S HA 0.377 4.850 4.470 0.005 0.000 0.266 437 S C -0.465 174.159 174.600 0.039 0.000 1.149 437 S CA -0.521 57.697 58.200 0.029 0.000 0.818 437 S CB 0.327 63.538 63.200 0.020 0.000 1.130 437 S HN 0.508 nan 8.310 nan 0.000 0.476 438 N N 0.143 118.868 118.700 0.042 0.000 2.726 438 N HA -0.066 4.678 4.740 0.005 0.000 0.253 438 N C 0.692 176.246 175.510 0.073 0.000 1.059 438 N CA 2.105 55.192 53.050 0.062 0.000 0.701 438 N CB -1.456 37.076 38.487 0.074 0.000 0.899 438 N HN 2.386 nan 8.380 nan 0.000 0.548 439 G N 1.002 109.839 108.800 0.062 0.000 2.283 439 G HA2 -0.298 3.665 3.960 0.005 0.000 0.280 439 G HA3 -0.298 3.665 3.960 0.005 0.000 0.280 439 G C 0.466 175.398 174.900 0.052 0.000 1.029 439 G CA 0.573 45.709 45.100 0.060 0.000 0.840 439 G HN 0.845 nan 8.290 nan 0.000 0.505 440 D N -1.890 118.538 120.400 0.047 0.000 2.946 440 D HA -0.198 4.446 4.640 0.005 0.000 0.202 440 D C 1.373 177.703 176.300 0.051 0.000 1.068 440 D CA 1.226 55.252 54.000 0.043 0.000 1.011 440 D CB -1.255 39.566 40.800 0.035 0.000 1.105 440 D HN 0.598 nan 8.370 nan 0.000 0.425 441 N N 0.617 119.353 118.700 0.061 0.000 2.223 441 N HA -0.153 4.590 4.740 0.005 0.000 0.185 441 N C 0.390 175.936 175.510 0.061 0.000 1.016 441 N CA 1.060 54.149 53.050 0.064 0.000 0.863 441 N CB 0.116 38.652 38.487 0.082 0.000 0.983 441 N HN 0.489 nan 8.380 nan 0.000 0.429 442 Q N 1.026 120.861 119.800 0.057 0.000 2.923 442 Q HA 0.073 4.417 4.340 0.005 0.000 0.363 442 Q C -0.410 175.628 176.000 0.063 0.000 1.159 442 Q CA -0.376 55.462 55.803 0.058 0.000 1.073 442 Q CB 0.721 29.479 28.738 0.033 0.000 1.364 442 Q HN 0.320 nan 8.270 nan 0.000 0.466 443 D N -0.691 119.751 120.400 0.070 0.000 2.269 443 D HA -0.064 4.579 4.640 0.005 0.000 0.208 443 D C 0.404 176.750 176.300 0.078 0.000 0.963 443 D CA 0.514 54.552 54.000 0.064 0.000 0.864 443 D CB 0.334 41.167 40.800 0.055 0.000 0.936 443 D HN 0.064 nan 8.370 nan 0.000 0.505 444 V N 1.454 121.436 119.914 0.114 0.000 2.488 444 V HA 0.352 4.475 4.120 0.005 0.000 0.293 444 V C 0.012 176.252 176.094 0.242 0.000 1.027 444 V CA -0.946 61.447 62.300 0.155 0.000 0.862 444 V CB 1.929 33.842 31.823 0.150 0.000 1.008 444 V HN 0.140 nan 8.190 nan 0.000 0.428 445 V N 2.477 122.463 119.914 0.119 0.000 3.284 445 V HA 0.805 4.928 4.120 0.005 0.000 0.309 445 V C 0.849 176.905 176.094 -0.063 0.000 1.190 445 V CA 0.287 62.564 62.300 -0.038 0.000 1.038 445 V CB 1.878 33.663 31.823 -0.063 0.000 1.198 445 V HN 0.790 nan 8.190 nan 0.000 0.465 446 S N -1.496 114.084 115.700 -0.200 0.000 2.549 446 S HA 0.168 4.642 4.470 0.005 0.000 0.225 446 S C 0.960 175.497 174.600 -0.105 0.000 1.039 446 S CA 0.474 58.586 58.200 -0.147 0.000 0.942 446 S CB -0.046 63.026 63.200 -0.212 0.000 0.881 446 S HN 0.986 nan 8.310 nan 0.000 0.503 447 M N 1.329 120.879 119.600 -0.083 0.000 2.333 447 M HA -0.169 4.315 4.480 0.005 0.000 0.199 447 M C 1.157 177.430 176.300 -0.044 0.000 0.376 447 M CA 0.839 56.112 55.300 -0.045 0.000 0.440 447 M CB -2.703 29.885 32.600 -0.020 0.000 1.506 447 M HN 0.576 nan 8.290 nan 0.000 0.889 448 G N 0.140 108.900 108.800 -0.066 0.000 2.440 448 G HA2 -0.126 3.837 3.960 0.005 0.000 0.218 448 G HA3 -0.126 3.837 3.960 0.005 0.000 0.218 448 G C 1.319 176.210 174.900 -0.015 0.000 1.154 448 G CA 0.949 46.016 45.100 -0.056 0.000 0.767 448 G HN 0.465 nan 8.290 nan 0.000 0.552 449 L N 0.940 122.165 121.223 0.004 0.000 2.079 449 L HA 0.054 4.397 4.340 0.005 0.000 0.210 449 L C 2.716 179.623 176.870 0.063 0.000 1.081 449 L CA 1.145 56.013 54.840 0.047 0.000 0.752 449 L CB -0.522 41.582 42.059 0.075 0.000 0.896 449 L HN 0.294 nan 8.230 nan 0.000 0.433 450 I N -1.619 118.973 120.570 0.036 0.000 2.252 450 I HA -0.281 3.893 4.170 0.005 0.000 0.245 450 I C 2.324 178.460 176.117 0.031 0.000 1.102 450 I CA 1.143 62.463 61.300 0.032 0.000 1.385 450 I CB -0.421 37.590 38.000 0.018 0.000 1.064 450 I HN 0.167 nan 8.210 nan 0.000 0.414 451 S N 1.034 116.744 115.700 0.017 0.000 2.359 451 S HA -0.188 4.285 4.470 0.005 0.000 0.224 451 S C 2.295 176.912 174.600 0.029 0.000 1.035 451 S CA 1.422 59.630 58.200 0.013 0.000 1.018 451 S CB -0.423 62.767 63.200 -0.016 0.000 0.876 451 S HN 0.551 nan 8.310 nan 0.000 0.448 452 A N 2.031 124.871 122.820 0.034 0.000 1.902 452 A HA -0.118 4.205 4.320 0.005 0.000 0.217 452 A C 2.176 179.804 177.584 0.072 0.000 1.181 452 A CA 1.216 53.283 52.037 0.050 0.000 0.623 452 A CB -0.452 18.576 19.000 0.047 0.000 0.818 452 A HN 0.399 nan 8.150 nan 0.000 0.443 453 R N -0.456 120.095 120.500 0.085 0.000 2.075 453 R HA -0.106 4.237 4.340 0.005 0.000 0.232 453 R C 1.827 178.162 176.300 0.059 0.000 1.126 453 R CA 1.293 57.446 56.100 0.087 0.000 0.963 453 R CB -0.474 29.872 30.300 0.075 0.000 0.858 453 R HN 0.500 nan 8.270 nan 0.000 0.435 454 N N 1.152 119.881 118.700 0.049 0.000 2.061 454 N HA -0.175 4.568 4.740 0.005 0.000 0.193 454 N C 1.694 177.234 175.510 0.049 0.000 1.030 454 N CA 1.794 54.870 53.050 0.043 0.000 0.856 454 N CB -0.372 38.140 38.487 0.041 0.000 1.023 454 N HN 0.235 nan 8.380 nan 0.000 0.424 455 A N 0.919 123.772 122.820 0.055 0.000 1.969 455 A HA -0.092 4.232 4.320 0.005 0.000 0.218 455 A C 2.232 179.851 177.584 0.059 0.000 1.169 455 A CA 1.067 53.140 52.037 0.059 0.000 0.635 455 A CB -0.422 18.617 19.000 0.064 0.000 0.810 455 A HN 0.241 nan 8.150 nan 0.000 0.445 456 R N -0.290 120.247 120.500 0.062 0.000 2.120 456 R HA -0.136 4.207 4.340 0.005 0.000 0.234 456 R C 2.379 178.711 176.300 0.054 0.000 1.123 456 R CA 1.586 57.724 56.100 0.064 0.000 0.975 456 R CB -0.246 30.103 30.300 0.082 0.000 0.866 456 R HN 0.598 nan 8.270 nan 0.000 0.446 457 R N -0.002 120.526 120.500 0.047 0.000 2.057 457 R HA -0.051 4.292 4.340 0.005 0.000 0.229 457 R C 2.027 178.351 176.300 0.040 0.000 1.136 457 R CA 1.425 57.547 56.100 0.038 0.000 0.952 457 R CB -0.175 30.143 30.300 0.031 0.000 0.848 457 R HN 0.098 nan 8.270 nan 0.000 0.430 458 V N 1.818 121.759 119.914 0.044 0.000 2.490 458 V HA -0.225 3.898 4.120 0.005 0.000 0.250 458 V C 2.300 178.422 176.094 0.047 0.000 1.061 458 V CA 1.463 63.789 62.300 0.045 0.000 1.064 458 V CB -0.515 31.337 31.823 0.048 0.000 0.670 458 V HN 0.358 nan 8.190 nan 0.000 0.461 459 L N 0.260 121.513 121.223 0.050 0.000 2.027 459 L HA -0.112 4.231 4.340 0.005 0.000 0.206 459 L C 2.641 179.540 176.870 0.050 0.000 1.074 459 L CA 2.447 57.318 54.840 0.052 0.000 0.745 459 L CB -0.745 41.346 42.059 0.055 0.000 0.898 459 L HN 0.324 nan 8.230 nan 0.000 0.433 460 S N -0.443 115.284 115.700 0.046 0.000 2.368 460 S HA -0.177 4.296 4.470 0.005 0.000 0.225 460 S C 1.876 176.500 174.600 0.041 0.000 1.030 460 S CA 1.457 59.683 58.200 0.042 0.000 0.999 460 S CB -0.494 62.728 63.200 0.037 0.000 0.844 460 S HN 0.635 nan 8.310 nan 0.000 0.459 461 N N 2.435 121.159 118.700 0.041 0.000 2.166 461 N HA -0.025 4.718 4.740 0.005 0.000 0.186 461 N C 1.386 176.924 175.510 0.047 0.000 1.019 461 N CA 1.173 54.248 53.050 0.041 0.000 0.856 461 N CB -0.905 37.605 38.487 0.039 0.000 0.993 461 N HN 0.464 nan 8.380 nan 0.000 0.426 462 N N 1.274 120.003 118.700 0.050 0.000 2.309 462 N HA -0.058 4.685 4.740 0.005 0.000 0.182 462 N C 1.159 176.706 175.510 0.062 0.000 1.018 462 N CA 0.500 53.583 53.050 0.055 0.000 0.876 462 N CB -0.389 38.131 38.487 0.055 0.000 0.972 462 N HN 0.272 nan 8.380 nan 0.000 0.434 463 N N 1.068 119.803 118.700 0.058 0.000 2.166 463 N HA -0.082 4.661 4.740 0.005 0.000 0.186 463 N C 1.417 176.962 175.510 0.058 0.000 1.019 463 N CA 0.918 54.002 53.050 0.058 0.000 0.856 463 N CB -0.022 38.495 38.487 0.049 0.000 0.993 463 N HN 0.363 nan 8.380 nan 0.000 0.426 464 K N 0.448 120.880 120.400 0.055 0.000 2.103 464 K HA 0.111 4.434 4.320 0.005 0.000 0.204 464 K C 2.052 178.692 176.600 0.067 0.000 1.052 464 K CA 0.518 56.838 56.287 0.055 0.000 0.945 464 K CB 0.062 32.589 32.500 0.046 0.000 0.722 464 K HN 0.126 nan 8.250 nan 0.000 0.443 465 I N 0.990 121.599 120.570 0.066 0.000 2.142 465 I HA -0.291 3.882 4.170 0.005 0.000 0.240 465 I C 2.042 178.210 176.117 0.085 0.000 1.078 465 I CA 1.363 62.705 61.300 0.069 0.000 1.343 465 I CB -0.267 37.768 38.000 0.059 0.000 1.046 465 I HN 0.102 nan 8.210 nan 0.000 0.405 466 L N 0.476 121.762 121.223 0.105 0.000 2.191 466 L HA -0.173 4.170 4.340 0.005 0.000 0.212 466 L C 2.809 179.830 176.870 0.251 0.000 1.103 466 L CA 1.022 55.966 54.840 0.174 0.000 0.769 466 L CB -0.711 41.475 42.059 0.213 0.000 0.908 466 L HN 0.241 nan 8.230 nan 0.000 0.438 467 A N -0.099 122.807 122.820 0.143 0.000 1.902 467 A HA -0.150 4.173 4.320 0.005 0.000 0.217 467 A C 2.290 179.971 177.584 0.162 0.000 1.181 467 A CA 1.909 54.019 52.037 0.120 0.000 0.623 467 A CB -0.767 18.280 19.000 0.078 0.000 0.818 467 A HN 0.210 nan 8.150 nan 0.000 0.443 468 V N -0.210 119.788 119.914 0.141 0.000 2.548 468 V HA -0.196 3.927 4.120 0.005 0.000 0.249 468 V C 2.383 178.555 176.094 0.130 0.000 1.055 468 V CA 1.971 64.370 62.300 0.164 0.000 1.065 468 V CB -0.691 31.212 31.823 0.132 0.000 0.681 468 V HN 0.655 nan 8.190 nan 0.000 0.462 469 E N -0.663 119.588 120.200 0.085 0.000 2.072 469 E HA -0.192 4.161 4.350 0.005 0.000 0.190 469 E C 2.180 178.742 176.600 -0.064 0.000 0.982 469 E CA 1.265 57.656 56.400 -0.016 0.000 0.803 469 E CB -0.112 29.560 29.700 -0.047 0.000 0.755 469 E HN 0.694 nan 8.360 nan 0.000 0.453 470 Y N 0.831 121.074 120.300 -0.094 0.000 2.145 470 Y HA -0.213 4.340 4.550 0.005 0.000 0.286 470 Y C 2.281 178.152 175.900 -0.048 0.000 1.145 470 Y CA 1.248 59.264 58.100 -0.140 0.000 1.148 470 Y CB -0.201 38.096 38.460 -0.272 0.000 0.981 470 Y HN 0.046 nan 8.280 nan 0.000 0.507 471 L N -1.090 120.252 121.223 0.197 0.000 2.017 471 L HA -0.273 4.070 4.340 0.005 0.000 0.208 471 L C 2.698 179.584 176.870 0.028 0.000 1.073 471 L CA 1.221 56.198 54.840 0.228 0.000 0.745 471 L CB -0.994 41.304 42.059 0.398 0.000 0.894 471 L HN 0.235 nan 8.230 nan 0.000 0.432 472 A N 0.021 122.709 122.820 -0.221 0.000 1.908 472 A HA -0.217 4.107 4.320 0.005 0.000 0.218 472 A C 2.526 179.887 177.584 -0.371 0.000 1.181 472 A CA 1.929 53.534 52.037 -0.722 0.000 0.627 472 A CB -0.756 17.926 19.000 -0.531 0.000 0.818 472 A HN 0.435 nan 8.150 nan 0.000 0.445 473 A N -0.141 122.563 122.820 -0.194 0.000 1.877 473 A HA 0.131 4.454 4.320 0.005 0.000 0.216 473 A C 2.544 180.117 177.584 -0.019 0.000 1.186 473 A CA 2.292 54.254 52.037 -0.124 0.000 0.620 473 A CB -1.152 17.755 19.000 -0.155 0.000 0.822 473 A HN 1.150 nan 8.150 nan 0.000 0.443 474 A N -1.011 121.852 122.820 0.071 0.000 1.940 474 A HA -0.219 4.104 4.320 0.005 0.000 0.219 474 A C 2.152 179.868 177.584 0.221 0.000 1.176 474 A CA 2.218 54.416 52.037 0.268 0.000 0.631 474 A CB -0.510 18.625 19.000 0.226 0.000 0.814 474 A HN 0.578 nan 8.150 nan 0.000 0.446 475 Q N -0.155 119.684 119.800 0.065 0.000 2.119 475 Q HA 0.018 4.361 4.340 0.005 0.000 0.201 475 Q C 1.999 177.993 176.000 -0.011 0.000 0.972 475 Q CA 2.016 57.842 55.803 0.038 0.000 0.847 475 Q CB -0.599 28.101 28.738 -0.063 0.000 0.903 475 Q HN 0.544 nan 8.270 nan 0.000 0.433 476 A N -0.514 122.261 122.820 -0.076 0.000 1.933 476 A HA -0.117 4.206 4.320 0.005 0.000 0.218 476 A C 2.218 179.782 177.584 -0.034 0.000 1.175 476 A CA 1.518 53.513 52.037 -0.069 0.000 0.628 476 A CB -0.805 18.138 19.000 -0.095 0.000 0.814 476 A HN 0.270 nan 8.150 nan 0.000 0.444 477 V N 1.858 121.761 119.914 -0.018 0.000 2.214 477 V HA -0.251 3.873 4.120 0.005 0.000 0.245 477 V C 1.875 177.934 176.094 -0.059 0.000 1.047 477 V CA 2.310 64.574 62.300 -0.061 0.000 0.998 477 V CB -0.988 30.745 31.823 -0.151 0.000 0.633 477 V HN 0.844 nan 8.190 nan 0.000 0.446 478 D N -1.036 119.351 120.400 -0.022 0.000 2.332 478 D HA -0.002 4.642 4.640 0.005 0.000 0.244 478 D C 1.207 177.519 176.300 0.020 0.000 1.136 478 D CA 0.452 54.452 54.000 -0.000 0.000 0.884 478 D CB -0.262 40.576 40.800 0.063 0.000 0.906 478 D HN 0.483 nan 8.370 nan 0.000 0.520 479 I N -0.079 120.498 120.570 0.011 0.000 3.939 479 I HA -0.026 4.148 4.170 0.005 0.000 0.313 479 I C 1.173 177.293 176.117 0.004 0.000 1.274 479 I CA 0.400 61.708 61.300 0.013 0.000 1.301 479 I CB 0.451 38.455 38.000 0.008 0.000 1.105 479 I HN 0.068 nan 8.210 nan 0.000 0.427 480 S N -0.719 114.978 115.700 -0.004 0.000 2.666 480 S HA 0.292 4.765 4.470 0.005 0.000 0.239 480 S C 1.229 175.828 174.600 -0.003 0.000 1.031 480 S CA 0.234 58.431 58.200 -0.004 0.000 1.015 480 S CB 0.667 63.860 63.200 -0.010 0.000 0.981 480 S HN 0.411 nan 8.310 nan 0.000 0.547 481 G N 1.957 110.756 108.800 -0.002 0.000 2.350 481 G HA2 -0.275 3.688 3.960 0.005 0.000 0.298 481 G HA3 -0.275 3.688 3.960 0.005 0.000 0.298 481 G C 0.300 175.205 174.900 0.007 0.000 1.037 481 G CA 0.247 45.351 45.100 0.008 0.000 1.074 481 G HN 0.567 nan 8.290 nan 0.000 0.511 482 R N -1.113 119.382 120.500 -0.007 0.000 2.509 482 R HA 0.306 4.649 4.340 0.005 0.000 0.300 482 R C 1.795 178.068 176.300 -0.044 0.000 0.985 482 R CA -0.231 55.853 56.100 -0.027 0.000 1.092 482 R CB -0.004 30.271 30.300 -0.042 0.000 1.237 482 R HN 0.425 nan 8.270 nan 0.000 0.546 483 F N 1.899 121.741 119.950 -0.181 0.000 2.126 483 F HA -0.223 4.307 4.527 0.005 0.000 0.299 483 F C 1.443 177.165 175.800 -0.130 0.000 1.096 483 F CA 1.764 59.621 58.000 -0.238 0.000 1.255 483 F CB 0.177 38.997 39.000 -0.301 0.000 0.997 483 F HN 0.003 nan 8.300 nan 0.000 0.479 484 D N 0.007 120.328 120.400 -0.131 0.000 2.218 484 D HA -0.117 4.526 4.640 0.005 0.000 0.204 484 D C 2.370 178.543 176.300 -0.211 0.000 0.976 484 D CA 1.381 55.266 54.000 -0.192 0.000 0.853 484 D CB -0.762 40.023 40.800 -0.024 0.000 0.939 484 D HN 0.498 nan 8.370 nan 0.000 0.481 485 G N 0.285 108.986 108.800 -0.165 0.000 2.551 485 G HA2 0.014 3.977 3.960 0.005 0.000 0.216 485 G HA3 0.014 3.977 3.960 0.005 0.000 0.216 485 G C 0.939 175.740 174.900 -0.165 0.000 1.137 485 G CA -0.267 44.754 45.100 -0.132 0.000 0.798 485 G HN 0.173 nan 8.290 nan 0.000 0.536 486 L N 2.009 123.088 121.223 -0.240 0.000 2.499 486 L HA 0.131 4.475 4.340 0.005 0.000 0.281 486 L C 1.399 178.147 176.870 -0.204 0.000 1.234 486 L CA -0.341 54.363 54.840 -0.227 0.000 0.839 486 L CB 0.735 42.613 42.059 -0.301 0.000 1.104 486 L HN 0.312 nan 8.230 nan 0.000 0.500 487 S N 2.245 117.863 115.700 -0.135 0.000 2.686 487 S HA 0.330 4.803 4.470 0.005 0.000 0.270 487 S C -1.900 172.646 174.600 -0.091 0.000 1.194 487 S CA -1.179 56.959 58.200 -0.104 0.000 0.990 487 S CB 0.939 64.093 63.200 -0.076 0.000 1.029 487 S HN 0.405 nan 8.310 nan 0.000 0.560 488 P HA -0.009 nan 4.420 nan 0.000 0.216 488 P C 1.417 178.714 177.300 -0.005 0.000 1.150 488 P CA 1.991 65.072 63.100 -0.033 0.000 0.837 488 P CB -0.276 31.411 31.700 -0.022 0.000 0.786 489 A N -0.340 122.476 122.820 -0.007 0.000 1.874 489 A HA 0.080 4.403 4.320 0.005 0.000 0.214 489 A C 2.300 179.909 177.584 0.042 0.000 1.189 489 A CA 1.565 53.613 52.037 0.019 0.000 0.615 489 A CB -1.500 17.501 19.000 0.002 0.000 0.830 489 A HN 0.147 nan 8.150 nan 0.000 0.443 490 A N 0.212 123.038 122.820 0.011 0.000 1.883 490 A HA -0.220 4.104 4.320 0.005 0.000 0.217 490 A C 2.116 179.769 177.584 0.116 0.000 1.186 490 A CA 1.980 54.037 52.037 0.034 0.000 0.624 490 A CB -0.555 18.430 19.000 -0.025 0.000 0.822 490 A HN 0.505 nan 8.150 nan 0.000 0.444 491 K N -0.585 119.854 120.400 0.064 0.000 2.044 491 K HA -0.190 4.134 4.320 0.005 0.000 0.210 491 K C 2.347 179.110 176.600 0.271 0.000 1.049 491 K CA 1.338 57.723 56.287 0.163 0.000 0.927 491 K CB -0.400 32.099 32.500 -0.002 0.000 0.713 491 K HN 0.480 nan 8.250 nan 0.000 0.443 492 A N 0.945 123.869 122.820 0.172 0.000 1.883 492 A HA -0.175 4.148 4.320 0.005 0.000 0.217 492 A C 2.272 179.988 177.584 0.219 0.000 1.186 492 A CA 2.230 54.368 52.037 0.168 0.000 0.624 492 A CB -0.980 18.091 19.000 0.118 0.000 0.822 492 A HN 0.314 nan 8.150 nan 0.000 0.444 493 T N -1.460 113.237 114.554 0.239 0.000 2.674 493 T HA -0.189 4.164 4.350 0.005 0.000 0.265 493 T C 1.832 176.735 174.700 0.338 0.000 1.039 493 T CA 1.648 63.936 62.100 0.314 0.000 1.150 493 T CB -0.566 68.431 68.868 0.216 0.000 0.864 493 T HN 0.557 nan 8.240 nan 0.000 0.427 494 Y N 2.123 122.542 120.300 0.198 0.000 2.151 494 Y HA -0.227 4.326 4.550 0.005 0.000 0.284 494 Y C 2.428 178.450 175.900 0.203 0.000 1.166 494 Y CA 1.789 60.010 58.100 0.202 0.000 1.163 494 Y CB -0.380 38.227 38.460 0.245 0.000 0.974 494 Y HN 0.118 nan 8.280 nan 0.000 0.511 495 E N 0.266 120.554 120.200 0.147 0.000 2.058 495 E HA -0.180 4.173 4.350 0.005 0.000 0.194 495 E C 2.384 178.969 176.600 -0.025 0.000 0.997 495 E CA 1.543 57.953 56.400 0.017 0.000 0.801 495 E CB -0.716 29.073 29.700 0.150 0.000 0.746 495 E HN 0.536 nan 8.360 nan 0.000 0.450 496 A N -0.062 122.811 122.820 0.088 0.000 1.986 496 A HA -0.189 4.134 4.320 0.005 0.000 0.220 496 A C 2.415 180.061 177.584 0.104 0.000 1.171 496 A CA 1.693 53.771 52.037 0.068 0.000 0.640 496 A CB -0.626 18.448 19.000 0.123 0.000 0.811 496 A HN 0.181 nan 8.150 nan 0.000 0.451 497 V N 0.197 120.214 119.914 0.173 0.000 2.283 497 V HA -0.199 3.924 4.120 0.005 0.000 0.243 497 V C 2.623 178.704 176.094 -0.022 0.000 1.039 497 V CA 1.853 64.241 62.300 0.146 0.000 1.016 497 V CB -0.774 31.125 31.823 0.127 0.000 0.650 497 V HN 0.498 nan 8.190 nan 0.000 0.449 498 R N 0.581 120.966 120.500 -0.193 0.000 2.120 498 R HA -0.097 4.246 4.340 0.005 0.000 0.234 498 R C 2.261 178.502 176.300 -0.097 0.000 1.123 498 R CA 1.040 57.028 56.100 -0.187 0.000 0.975 498 R CB -0.669 29.432 30.300 -0.330 0.000 0.866 498 R HN 0.525 nan 8.270 nan 0.000 0.446 499 R N 0.742 121.191 120.500 -0.086 0.000 2.200 499 R HA -0.081 4.262 4.340 0.005 0.000 0.234 499 R C 1.980 178.253 176.300 -0.046 0.000 1.127 499 R CA 1.077 57.141 56.100 -0.060 0.000 0.989 499 R CB -0.198 30.066 30.300 -0.061 0.000 0.869 499 R HN 0.268 nan 8.270 nan 0.000 0.459 500 L N -1.240 119.963 121.223 -0.033 0.000 2.547 500 L HA 0.214 4.558 4.340 0.005 0.000 0.218 500 L C 0.362 177.233 176.870 0.002 0.000 1.048 500 L CA 0.071 54.902 54.840 -0.016 0.000 0.859 500 L CB 0.391 42.444 42.059 -0.009 0.000 1.128 500 L HN -0.223 nan 8.230 nan 0.000 0.483 501 V N 0.467 120.387 119.914 0.010 0.000 2.638 501 V HA 0.441 4.564 4.120 0.005 0.000 0.306 501 V C -2.443 173.657 176.094 0.010 0.000 1.052 501 V CA -1.465 60.849 62.300 0.022 0.000 0.885 501 V CB 2.212 34.068 31.823 0.054 0.000 0.999 501 V HN -0.106 nan 8.190 nan 0.000 0.424 502 P HA 0.206 nan 4.420 nan 0.000 0.274 502 P C -0.033 177.290 177.300 0.038 0.000 1.246 502 P CA -0.109 62.995 63.100 0.008 0.000 0.795 502 P CB 0.414 32.117 31.700 0.006 0.000 1.006 503 T N 0.722 115.306 114.554 0.049 0.000 2.926 503 T HA 0.089 4.442 4.350 0.005 0.000 0.307 503 T C 0.036 174.784 174.700 0.080 0.000 1.059 503 T CA -0.379 61.777 62.100 0.093 0.000 1.122 503 T CB -0.274 68.654 68.868 0.100 0.000 0.972 503 T HN 0.158 nan 8.240 nan 0.000 0.545 504 L N 5.788 127.085 121.223 0.124 0.000 2.407 504 L HA 0.459 4.802 4.340 0.005 0.000 0.282 504 L C 1.151 178.039 176.870 0.030 0.000 1.110 504 L CA 0.564 55.447 54.840 0.072 0.000 0.863 504 L CB 0.077 42.212 42.059 0.126 0.000 1.207 504 L HN 0.948 nan 8.230 nan 0.000 0.454 505 G N 4.438 113.226 108.800 -0.020 0.000 2.447 505 G HA2 0.260 4.223 3.960 0.005 0.000 0.211 505 G HA3 0.260 4.223 3.960 0.005 0.000 0.211 505 G C 0.209 175.017 174.900 -0.153 0.000 1.184 505 G CA 0.834 45.903 45.100 -0.051 0.000 0.813 505 G HN 0.670 nan 8.290 nan 0.000 0.540 506 V N -2.519 117.272 119.914 -0.206 0.000 3.114 506 V HA 0.540 4.663 4.120 0.005 0.000 0.308 506 V C -1.474 174.461 176.094 -0.266 0.000 1.168 506 V CA -1.476 60.553 62.300 -0.452 0.000 1.015 506 V CB 1.666 33.245 31.823 -0.407 0.000 1.050 506 V HN -0.000 nan 8.190 nan 0.000 0.433 507 D N 2.835 123.092 120.400 -0.239 0.000 2.648 507 D HA 0.324 4.967 4.640 0.005 0.000 0.229 507 D C 0.351 176.643 176.300 -0.013 0.000 1.119 507 D CA 1.257 55.243 54.000 -0.023 0.000 0.850 507 D CB 0.155 41.049 40.800 0.157 0.000 1.169 507 D HN 0.915 nan 8.370 nan 0.000 0.489 508 R N 1.928 122.411 120.500 -0.029 0.000 2.728 508 R HA 0.148 4.492 4.340 0.005 0.000 0.274 508 R C -1.177 175.141 176.300 0.030 0.000 1.032 508 R CA -0.891 55.219 56.100 0.016 0.000 0.866 508 R CB 0.079 30.384 30.300 0.009 0.000 1.263 508 R HN 0.304 nan 8.270 nan 0.000 0.475 509 Y N 2.342 122.614 120.300 -0.048 0.000 3.032 509 Y HA -0.145 4.408 4.550 0.006 0.000 0.344 509 Y C 0.953 176.812 175.900 -0.068 0.000 1.273 509 Y CA 1.282 59.354 58.100 -0.047 0.000 1.588 509 Y CB 0.567 39.008 38.460 -0.032 0.000 1.209 509 Y HN 0.565 nan 8.280 nan 0.000 0.597 510 M N 4.102 123.474 119.600 -0.380 0.000 2.470 510 M HA 0.131 4.614 4.480 0.005 0.000 0.262 510 M C 2.110 178.243 176.300 -0.279 0.000 1.211 510 M CA 0.901 56.033 55.300 -0.280 0.000 1.125 510 M CB -1.048 31.377 32.600 -0.291 0.000 1.480 510 M HN 0.780 nan 8.290 nan 0.000 0.541 511 A N 1.701 124.198 122.820 -0.539 0.000 1.896 511 A HA -0.247 4.076 4.320 0.005 0.000 0.220 511 A C 1.849 179.402 177.584 -0.052 0.000 1.206 511 A CA 2.508 54.358 52.037 -0.312 0.000 0.647 511 A CB -0.899 17.849 19.000 -0.419 0.000 0.828 511 A HN 0.420 nan 8.150 nan 0.000 0.455 512 D N 0.026 120.486 120.400 0.100 0.000 2.092 512 D HA -0.142 4.501 4.640 0.005 0.000 0.193 512 D C 1.534 177.872 176.300 0.064 0.000 0.994 512 D CA 1.700 55.779 54.000 0.133 0.000 0.828 512 D CB -0.650 40.266 40.800 0.194 0.000 0.963 512 D HN 0.488 nan 8.370 nan 0.000 0.450 513 D N 0.473 120.900 120.400 0.046 0.000 2.133 513 D HA -0.133 4.510 4.640 0.005 0.000 0.195 513 D C 2.246 178.570 176.300 0.041 0.000 0.997 513 D CA 0.504 54.526 54.000 0.037 0.000 0.840 513 D CB -0.411 40.400 40.800 0.018 0.000 0.947 513 D HN 0.299 nan 8.370 nan 0.000 0.452 514 I N 0.447 121.029 120.570 0.019 0.000 2.163 514 I HA -0.228 3.945 4.170 0.005 0.000 0.240 514 I C 2.119 178.259 176.117 0.038 0.000 1.081 514 I CA 1.197 62.517 61.300 0.032 0.000 1.353 514 I CB -0.128 37.875 38.000 0.006 0.000 1.054 514 I HN -0.136 nan 8.210 nan 0.000 0.407 515 E N 0.398 120.615 120.200 0.029 0.000 2.204 515 E HA -0.227 4.126 4.350 0.005 0.000 0.195 515 E C 1.837 178.457 176.600 0.033 0.000 0.990 515 E CA 0.862 57.281 56.400 0.032 0.000 0.821 515 E CB -0.132 29.588 29.700 0.033 0.000 0.750 515 E HN 0.311 nan 8.360 nan 0.000 0.477 516 L N -0.405 120.840 121.223 0.037 0.000 2.068 516 L HA -0.074 4.269 4.340 0.005 0.000 0.204 516 L C 1.922 178.814 176.870 0.037 0.000 1.076 516 L CA 1.320 56.179 54.840 0.031 0.000 0.753 516 L CB -0.292 41.786 42.059 0.032 0.000 0.910 516 L HN -0.017 nan 8.230 nan 0.000 0.439 517 V N 0.324 120.275 119.914 0.063 0.000 2.515 517 V HA -0.177 3.946 4.120 0.005 0.000 0.250 517 V C 2.779 178.918 176.094 0.075 0.000 1.058 517 V CA 1.365 63.724 62.300 0.098 0.000 1.064 517 V CB -1.359 30.532 31.823 0.114 0.000 0.675 517 V HN 0.584 nan 8.190 nan 0.000 0.461 518 A N 0.024 122.874 122.820 0.051 0.000 1.872 518 A HA -0.204 4.119 4.320 0.005 0.000 0.214 518 A C 1.965 179.570 177.584 0.034 0.000 1.187 518 A CA 1.819 53.881 52.037 0.042 0.000 0.614 518 A CB -0.609 18.416 19.000 0.041 0.000 0.826 518 A HN 0.484 nan 8.150 nan 0.000 0.442 519 D N 0.013 120.428 120.400 0.025 0.000 2.218 519 D HA -0.018 4.625 4.640 0.005 0.000 0.204 519 D C 2.087 178.385 176.300 -0.004 0.000 0.976 519 D CA 1.347 55.354 54.000 0.012 0.000 0.853 519 D CB -0.177 40.627 40.800 0.007 0.000 0.939 519 D HN 0.434 nan 8.370 nan 0.000 0.481 520 A N 0.014 122.827 122.820 -0.011 0.000 1.874 520 A HA -0.031 4.293 4.320 0.005 0.000 0.214 520 A C 2.252 179.814 177.584 -0.037 0.000 1.189 520 A CA 0.557 52.550 52.037 -0.072 0.000 0.615 520 A CB -0.722 18.185 19.000 -0.155 0.000 0.830 520 A HN 0.183 nan 8.150 nan 0.000 0.443 521 L N 0.710 121.974 121.223 0.069 0.000 2.043 521 L HA -0.247 4.096 4.340 0.005 0.000 0.212 521 L C 3.014 179.921 176.870 0.061 0.000 1.075 521 L CA 1.839 56.745 54.840 0.110 0.000 0.752 521 L CB -0.432 41.658 42.059 0.051 0.000 0.891 521 L HN 0.618 nan 8.230 nan 0.000 0.432 522 S N -0.476 115.247 115.700 0.038 0.000 2.442 522 S HA -0.202 4.271 4.470 0.005 0.000 0.236 522 S C 2.022 176.635 174.600 0.022 0.000 1.007 522 S CA 0.970 59.190 58.200 0.033 0.000 0.965 522 S CB -0.301 62.916 63.200 0.028 0.000 0.773 522 S HN 0.395 nan 8.310 nan 0.000 0.504 523 R N 0.405 120.906 120.500 0.002 0.000 2.246 523 R HA 0.282 4.626 4.340 0.005 0.000 0.199 523 R C 1.441 177.734 176.300 -0.012 0.000 0.984 523 R CA 0.540 56.632 56.100 -0.013 0.000 1.015 523 R CB -0.156 30.120 30.300 -0.041 0.000 0.930 523 R HN 0.578 nan 8.270 nan 0.000 0.475 524 G N 1.066 109.866 108.800 0.001 0.000 2.171 524 G HA2 -0.219 3.744 3.960 0.005 0.000 0.238 524 G HA3 -0.219 3.744 3.960 0.005 0.000 0.238 524 G C 0.465 175.346 174.900 -0.031 0.000 1.039 524 G CA 0.123 45.236 45.100 0.022 0.000 0.759 524 G HN 0.209 nan 8.290 nan 0.000 0.501 525 E N -0.565 119.546 120.200 -0.149 0.000 2.153 525 E HA -0.021 4.332 4.350 0.005 0.000 0.194 525 E C 2.018 178.422 176.600 -0.327 0.000 0.988 525 E CA 1.097 57.313 56.400 -0.306 0.000 0.811 525 E CB -0.206 29.182 29.700 -0.520 0.000 0.746 525 E HN 0.662 nan 8.360 nan 0.000 0.466 526 F N 0.106 120.038 119.950 -0.031 0.000 2.270 526 F HA -0.041 4.489 4.527 0.006 0.000 0.295 526 F C 2.178 178.011 175.800 0.055 0.000 1.087 526 F CA 0.209 58.223 58.000 0.024 0.000 1.365 526 F CB -0.531 38.491 39.000 0.037 0.000 1.056 526 F HN 0.031 nan 8.300 nan 0.000 0.506 527 L N 1.612 122.958 121.223 0.205 0.000 2.046 527 L HA -0.159 4.184 4.340 0.005 0.000 0.208 527 L C 2.460 179.382 176.870 0.086 0.000 1.077 527 L CA 1.747 56.669 54.840 0.137 0.000 0.747 527 L CB -0.705 41.419 42.059 0.107 0.000 0.896 527 L HN 0.148 nan 8.230 nan 0.000 0.432 528 R N -0.252 120.277 120.500 0.049 0.000 2.062 528 R HA 0.083 4.426 4.340 0.005 0.000 0.229 528 R C 2.195 178.512 176.300 0.027 0.000 1.128 528 R CA 1.123 57.237 56.100 0.024 0.000 0.960 528 R CB -1.333 28.964 30.300 -0.005 0.000 0.855 528 R HN 0.278 nan 8.270 nan 0.000 0.432 529 A N 1.865 124.699 122.820 0.024 0.000 2.042 529 A HA -0.161 4.162 4.320 0.005 0.000 0.222 529 A C 2.164 179.786 177.584 0.064 0.000 1.167 529 A CA 1.464 53.524 52.037 0.037 0.000 0.649 529 A CB -0.472 18.558 19.000 0.050 0.000 0.809 529 A HN 0.289 nan 8.150 nan 0.000 0.457 530 I N -0.718 119.900 120.570 0.080 0.000 2.235 530 I HA -0.117 4.056 4.170 0.005 0.000 0.241 530 I C 2.950 179.095 176.117 0.047 0.000 1.085 530 I CA 1.278 62.621 61.300 0.071 0.000 1.378 530 I CB -1.667 36.381 38.000 0.081 0.000 1.076 530 I HN 0.345 nan 8.210 nan 0.000 0.415 531 A N 0.999 123.844 122.820 0.042 0.000 2.024 531 A HA -0.234 4.089 4.320 0.005 0.000 0.220 531 A C 2.481 180.079 177.584 0.024 0.000 1.164 531 A CA 1.982 54.038 52.037 0.030 0.000 0.643 531 A CB -0.520 18.497 19.000 0.028 0.000 0.806 531 A HN 0.490 nan 8.150 nan 0.000 0.451 532 R N -0.955 119.559 120.500 0.024 0.000 2.005 532 R HA 0.023 4.366 4.340 0.005 0.000 0.213 532 R C 1.514 177.828 176.300 0.023 0.000 1.308 532 R CA 0.663 56.775 56.100 0.019 0.000 1.022 532 R CB -0.479 29.829 30.300 0.014 0.000 0.883 532 R HN 0.218 nan 8.270 nan 0.000 0.470 533 E N 0.216 120.434 120.200 0.029 0.000 2.393 533 E HA -0.140 4.214 4.350 0.005 0.000 0.201 533 E C 1.095 177.716 176.600 0.034 0.000 1.025 533 E CA 1.625 58.047 56.400 0.035 0.000 0.856 533 E CB 0.127 29.856 29.700 0.049 0.000 0.771 533 E HN 0.531 nan 8.360 nan 0.000 0.526 534 T N -0.857 113.715 114.554 0.031 0.000 3.028 534 T HA -0.045 4.309 4.350 0.005 0.000 0.250 534 T C 0.532 175.243 174.700 0.017 0.000 0.979 534 T CA 0.438 62.553 62.100 0.025 0.000 1.004 534 T CB 0.607 69.492 68.868 0.029 0.000 1.120 534 T HN 0.182 nan 8.240 nan 0.000 0.482 535 D N 0.398 120.809 120.400 0.018 0.000 2.839 535 D HA -0.181 4.463 4.640 0.005 0.000 0.194 535 D C -0.164 176.144 176.300 0.013 0.000 0.988 535 D CA 0.316 54.324 54.000 0.014 0.000 1.009 535 D CB -2.212 38.594 40.800 0.010 0.000 1.067 535 D HN 0.488 nan 8.370 nan 0.000 0.444 536 I N 0.890 121.469 120.570 0.015 0.000 2.587 536 I HA 0.048 4.221 4.170 0.005 0.000 0.284 536 I C 0.935 177.062 176.117 0.017 0.000 1.134 536 I CA 0.481 61.789 61.300 0.013 0.000 1.410 536 I CB 0.699 38.706 38.000 0.013 0.000 1.392 536 I HN 0.008 nan 8.210 nan 0.000 0.545 537 Q N 6.591 126.399 119.800 0.013 0.000 2.673 537 Q HA 0.385 4.728 4.340 0.005 0.000 0.224 537 Q C -0.848 175.163 176.000 0.019 0.000 1.226 537 Q CA -0.088 55.725 55.803 0.016 0.000 1.019 537 Q CB 0.470 29.215 28.738 0.012 0.000 1.312 537 Q HN 0.521 nan 8.270 nan 0.000 0.566 538 L N 2.073 123.311 121.223 0.026 0.000 2.456 538 L HA 0.197 4.540 4.340 0.005 0.000 0.272 538 L C 0.902 177.796 176.870 0.039 0.000 1.189 538 L CA -0.009 54.850 54.840 0.031 0.000 0.846 538 L CB 0.383 42.465 42.059 0.040 0.000 1.111 538 L HN 0.446 nan 8.230 nan 0.000 0.475 539 R N 0.000 120.527 120.500 0.045 0.000 2.786 539 R HA 0.000 4.343 4.340 0.005 0.000 0.208 539 R CA 0.000 56.137 56.100 0.062 0.000 0.921 539 R CB 0.000 30.342 30.300 0.069 0.000 0.687 539 R HN 0.000 nan 8.270 nan 0.000 0.535