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 1lpp_1_A DATA FIRST_RESID 1 DATA SEQUENCE APTATLANGD TITGLNAIIN EAFLGIPFAE PPVGNLRFKD PVPYSGSLDG DATA SEQUENCE QKFTSYGPSc MQQNPEGTYE ENLPKAALDL VMQSKVFEAV SPSSEDcLTI DATA SEQUENCE NVVRPPGTKA GANLPVMLWI FGGGFEVGGT STFPPAQMIT KSIAMGKPII DATA SEQUENCE HVSVNYRVSS WGFLAGDEIK AEGSANAGLK DQRLGMQWVA DNIAAFGGDP DATA SEQUENCE TKVTIFGESA GSMSVMCHIL WNDGDNTYKG KPLFRAGIMQ SGAMVPSDAV DATA SEQUENCE DGIYGNEIFD LLASNAGcGS ASDKLAcLRG VSSDTLEDAT NNTPGFLAYS DATA SEQUENCE SLRLSYLPRP DGVNITDDMY ALVREGKYAN IPVIIGDQND EGTFFGTSSL DATA SEQUENCE NVTTDAQARE YFKQSFVHAS DAEIDTLMTA YPGDITQGSP FDTGILNALT DATA SEQUENCE PQFKRISAVL GDLGFTLARR YFLNHYTGGT KYSFLSKQLS GLPVLGTFHS DATA SEQUENCE NDIVFQDYLL GSGSLIYNNA FIAFATDLDP NTAGLLVKWP EYTSSSQSGN DATA SEQUENCE NLMMINALGL YTGKDNFRTA GYDALFSNPP SFFV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.597 177.584 0.022 0.000 1.274 1 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 1 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 2 P HA 0.466 nan 4.420 nan 0.000 0.268 2 P C -0.347 177.092 177.300 0.233 0.000 1.204 2 P CA 0.531 63.678 63.100 0.077 0.000 0.768 2 P CB 0.769 32.381 31.700 -0.146 0.000 0.842 3 T N 1.089 115.848 114.554 0.341 0.000 2.900 3 T HA 0.768 5.118 4.350 0.001 0.000 0.303 3 T C -1.211 173.575 174.700 0.143 0.000 1.142 3 T CA -0.464 61.816 62.100 0.300 0.000 1.007 3 T CB 1.923 70.875 68.868 0.140 0.000 1.156 3 T HN 0.403 nan 8.240 nan 0.000 0.490 4 A N 1.349 124.151 122.820 -0.030 0.000 2.517 4 A HA 0.715 5.035 4.320 0.001 0.000 0.297 4 A C -0.592 176.821 177.584 -0.285 0.000 1.050 4 A CA -0.781 51.022 52.037 -0.389 0.000 0.694 4 A CB 1.452 19.753 19.000 -1.165 0.000 1.277 4 A HN 0.636 nan 8.150 nan 0.000 0.400 5 T N 3.814 118.207 114.554 -0.268 0.000 2.781 5 T HA 0.460 4.811 4.350 0.001 0.000 0.305 5 T C 0.564 175.138 174.700 -0.209 0.000 1.001 5 T CA -0.190 61.811 62.100 -0.165 0.000 0.950 5 T CB -0.141 68.665 68.868 -0.104 0.000 0.955 5 T HN 0.482 nan 8.240 nan 0.000 0.471 6 L N 1.728 122.852 121.223 -0.164 0.000 2.456 6 L HA 0.151 4.491 4.340 0.001 0.000 0.266 6 L C 2.185 178.978 176.870 -0.128 0.000 1.258 6 L CA -0.460 54.283 54.840 -0.161 0.000 0.823 6 L CB -0.081 41.942 42.059 -0.059 0.000 1.100 6 L HN 0.681 nan 8.230 nan 0.000 0.531 7 A N 1.326 124.058 122.820 -0.146 0.000 1.940 7 A HA -0.200 4.120 4.320 0.001 0.000 0.219 7 A C 1.571 179.121 177.584 -0.055 0.000 1.176 7 A CA 1.963 53.935 52.037 -0.108 0.000 0.631 7 A CB -0.850 18.074 19.000 -0.127 0.000 0.814 7 A HN 0.937 nan 8.150 nan 0.000 0.446 8 N N -0.955 117.728 118.700 -0.028 0.000 2.434 8 N HA 0.262 5.002 4.740 0.001 0.000 0.196 8 N C 0.954 176.469 175.510 0.009 0.000 1.183 8 N CA 1.139 54.192 53.050 0.005 0.000 0.849 8 N CB -0.367 38.144 38.487 0.040 0.000 0.992 8 N HN 0.807 nan 8.380 nan 0.000 0.460 9 G N -0.678 108.117 108.800 -0.009 0.000 2.199 9 G HA2 -0.264 3.696 3.960 0.001 0.000 0.254 9 G HA3 -0.264 3.696 3.960 0.001 0.000 0.254 9 G C -0.605 174.303 174.900 0.013 0.000 0.982 9 G CA 0.191 45.289 45.100 -0.004 0.000 0.632 9 G HN 0.474 nan 8.290 nan 0.000 0.529 10 D N 1.381 121.802 120.400 0.035 0.000 2.389 10 D HA 0.478 5.118 4.640 0.001 0.000 0.247 10 D C 0.387 176.719 176.300 0.053 0.000 1.128 10 D CA 0.771 54.812 54.000 0.069 0.000 0.884 10 D CB 1.082 41.956 40.800 0.124 0.000 1.194 10 D HN 0.118 nan 8.370 nan 0.000 0.441 11 T N 2.304 116.901 114.554 0.071 0.000 2.779 11 T HA 0.559 4.910 4.350 0.001 0.000 0.280 11 T C 0.458 175.244 174.700 0.143 0.000 0.987 11 T CA -0.671 61.468 62.100 0.065 0.000 0.966 11 T CB 0.519 69.415 68.868 0.046 0.000 0.933 11 T HN 0.295 nan 8.240 nan 0.000 0.442 12 I N -0.206 120.480 120.570 0.192 0.000 2.910 12 I HA 0.821 4.991 4.170 0.001 0.000 0.310 12 I C -0.533 175.816 176.117 0.385 0.000 1.043 12 I CA -0.807 60.713 61.300 0.368 0.000 1.053 12 I CB 2.340 40.693 38.000 0.588 0.000 1.242 12 I HN 0.317 nan 8.210 nan 0.000 0.452 13 T N 2.569 117.355 114.554 0.386 0.000 2.829 13 T HA 0.675 5.025 4.350 0.001 0.000 0.280 13 T C 0.139 174.982 174.700 0.238 0.000 0.999 13 T CA -0.447 61.818 62.100 0.275 0.000 0.983 13 T CB 1.622 70.553 68.868 0.105 0.000 0.968 13 T HN 0.978 nan 8.240 nan 0.000 0.446 14 G N 1.069 109.816 108.800 -0.088 0.000 2.828 14 G HA2 0.688 4.648 3.960 0.001 0.000 0.244 14 G HA3 0.688 4.648 3.960 0.001 0.000 0.244 14 G C -1.401 173.288 174.900 -0.352 0.000 1.365 14 G CA -0.610 44.142 45.100 -0.580 0.000 1.041 14 G HN 0.630 nan 8.290 nan 0.000 0.560 15 L N -0.100 120.894 121.223 -0.381 0.000 2.329 15 L HA 0.610 4.950 4.340 0.001 0.000 0.279 15 L C -0.718 176.037 176.870 -0.191 0.000 1.014 15 L CA -0.992 53.720 54.840 -0.214 0.000 0.814 15 L CB 1.807 43.767 42.059 -0.166 0.000 1.257 15 L HN 0.456 nan 8.230 nan 0.000 0.424 16 N N 3.857 122.486 118.700 -0.119 0.000 2.462 16 N HA 0.481 5.221 4.740 0.001 0.000 0.242 16 N C -0.081 175.393 175.510 -0.060 0.000 1.010 16 N CA 0.201 53.203 53.050 -0.080 0.000 0.939 16 N CB 1.596 40.052 38.487 -0.051 0.000 1.127 16 N HN 0.738 nan 8.380 nan 0.000 0.509 17 A N 4.394 127.181 122.820 -0.055 0.000 2.415 17 A HA 0.283 4.603 4.320 0.001 0.000 0.248 17 A C 1.276 178.844 177.584 -0.027 0.000 1.299 17 A CA -0.258 51.754 52.037 -0.042 0.000 0.899 17 A CB -0.639 18.334 19.000 -0.045 0.000 0.997 17 A HN 0.726 nan 8.150 nan 0.000 0.506 18 I N -1.634 118.923 120.570 -0.022 0.000 4.624 18 I HA -0.411 3.759 4.170 0.001 0.000 0.049 18 I C 1.843 177.956 176.117 -0.007 0.000 0.621 18 I CA 2.410 63.703 61.300 -0.012 0.000 0.836 18 I CB -1.653 36.340 38.000 -0.012 0.000 0.765 18 I HN 0.607 nan 8.210 nan 0.000 0.159 19 I N 1.055 121.619 120.570 -0.010 0.000 3.111 19 I HA 0.074 4.244 4.170 0.001 0.000 0.272 19 I C 0.799 176.916 176.117 -0.000 0.000 1.268 19 I CA 1.287 62.583 61.300 -0.006 0.000 1.467 19 I CB -0.341 37.652 38.000 -0.012 0.000 1.087 19 I HN 0.713 nan 8.210 nan 0.000 0.467 20 N N 0.278 118.976 118.700 -0.002 0.000 3.185 20 N HA 0.309 5.049 4.740 0.001 0.000 0.238 20 N C -1.586 173.925 175.510 0.001 0.000 1.451 20 N CA -0.818 52.238 53.050 0.011 0.000 0.888 20 N CB 1.466 39.959 38.487 0.009 0.000 1.413 20 N HN 0.092 nan 8.380 nan 0.000 0.511 21 E N -0.062 120.153 120.200 0.025 0.000 2.210 21 E HA 0.661 5.012 4.350 0.001 0.000 0.266 21 E C -1.233 175.355 176.600 -0.019 0.000 0.883 21 E CA -0.868 55.521 56.400 -0.018 0.000 0.761 21 E CB 2.186 31.916 29.700 0.050 0.000 1.156 21 E HN 0.656 nan 8.360 nan 0.000 0.412 22 A N 2.994 125.707 122.820 -0.179 0.000 2.386 22 A HA 0.713 5.033 4.320 0.001 0.000 0.311 22 A C -1.437 175.943 177.584 -0.340 0.000 1.068 22 A CA -0.633 51.325 52.037 -0.133 0.000 0.743 22 A CB 0.581 19.512 19.000 -0.116 0.000 1.258 22 A HN 0.518 nan 8.150 nan 0.000 0.429 23 F N 2.321 122.298 119.950 0.044 0.000 2.430 23 F HA 0.493 5.020 4.527 0.001 0.000 0.362 23 F C -0.254 175.531 175.800 -0.024 0.000 1.103 23 F CA -0.345 57.717 58.000 0.103 0.000 1.045 23 F CB 1.241 40.374 39.000 0.221 0.000 1.276 23 F HN 0.337 nan 8.300 nan 0.000 0.444 24 L N 2.034 123.295 121.223 0.064 0.000 2.325 24 L HA 0.756 5.096 4.340 0.001 0.000 0.278 24 L C 0.960 177.868 176.870 0.064 0.000 1.023 24 L CA -0.992 53.790 54.840 -0.096 0.000 0.811 24 L CB 1.675 43.483 42.059 -0.417 0.000 1.249 24 L HN 0.813 nan 8.230 nan 0.000 0.431 25 G N 2.676 111.497 108.800 0.036 0.000 2.160 25 G HA2 -0.250 3.710 3.960 0.001 0.000 0.244 25 G HA3 -0.250 3.710 3.960 0.001 0.000 0.244 25 G C -0.018 174.920 174.900 0.064 0.000 1.022 25 G CA -0.371 44.792 45.100 0.104 0.000 0.741 25 G HN 0.492 nan 8.290 nan 0.000 0.508 26 I N 1.526 121.973 120.570 -0.204 0.000 2.517 26 I HA 0.208 4.379 4.170 0.001 0.000 0.285 26 I C -1.781 174.135 176.117 -0.335 0.000 1.106 26 I CA -1.921 59.064 61.300 -0.524 0.000 1.402 26 I CB 0.879 38.508 38.000 -0.618 0.000 1.399 26 I HN -0.088 nan 8.210 nan 0.000 0.535 27 P HA 0.041 nan 4.420 nan 0.000 0.276 27 P C -0.114 176.944 177.300 -0.404 0.000 1.235 27 P CA -0.031 62.802 63.100 -0.445 0.000 0.772 27 P CB 0.329 31.559 31.700 -0.783 0.000 0.871 28 F N 1.478 121.225 119.950 -0.339 0.000 2.706 28 F HA 0.748 5.275 4.527 0.001 0.000 0.313 28 F C 0.091 175.922 175.800 0.052 0.000 1.096 28 F CA -0.634 57.244 58.000 -0.203 0.000 1.219 28 F CB 0.159 38.874 39.000 -0.475 0.000 1.051 28 F HN 0.250 nan 8.300 nan 0.000 0.568 29 A N 0.166 122.704 122.820 -0.470 0.000 2.587 29 A HA 0.598 4.918 4.320 0.001 0.000 0.293 29 A C -0.870 176.708 177.584 -0.010 0.000 1.087 29 A CA -0.797 51.102 52.037 -0.230 0.000 0.692 29 A CB 1.060 19.755 19.000 -0.508 0.000 1.291 29 A HN 0.076 nan 8.150 nan 0.000 0.407 30 E N 0.907 121.149 120.200 0.070 0.000 2.383 30 E HA 0.268 4.619 4.350 0.001 0.000 0.264 30 E C -2.347 174.257 176.600 0.006 0.000 1.050 30 E CA -1.451 55.004 56.400 0.092 0.000 0.896 30 E CB 0.054 29.773 29.700 0.032 0.000 0.982 30 E HN 0.244 nan 8.360 nan 0.000 0.424 31 P HA 0.004 nan 4.420 nan 0.000 0.258 31 P C -2.132 175.149 177.300 -0.032 0.000 1.187 31 P CA -0.654 62.433 63.100 -0.022 0.000 0.767 31 P CB -0.006 31.694 31.700 0.001 0.000 0.770 32 P HA -0.011 nan 4.420 nan 0.000 0.228 32 P C -0.147 177.116 177.300 -0.062 0.000 1.748 32 P CA 0.192 63.262 63.100 -0.050 0.000 0.909 32 P CB -0.143 31.526 31.700 -0.051 0.000 1.882 33 V N -3.321 116.565 119.914 -0.046 0.000 3.093 33 V HA 0.882 5.002 4.120 0.001 0.000 0.320 33 V C 1.013 177.083 176.094 -0.039 0.000 1.093 33 V CA 0.147 62.421 62.300 -0.044 0.000 1.016 33 V CB 0.678 32.486 31.823 -0.026 0.000 1.096 33 V HN 0.501 nan 8.190 nan 0.000 0.452 34 G N 1.731 110.512 108.800 -0.032 0.000 2.622 34 G HA2 -0.348 3.612 3.960 0.001 0.000 0.307 34 G HA3 -0.348 3.612 3.960 0.001 0.000 0.307 34 G C 0.599 175.486 174.900 -0.022 0.000 1.226 34 G CA 0.789 45.879 45.100 -0.016 0.000 0.997 34 G HN 1.050 nan 8.290 nan 0.000 0.551 35 N N 0.879 119.578 118.700 -0.001 0.000 2.571 35 N HA 0.076 4.816 4.740 0.001 0.000 0.189 35 N C 2.001 177.515 175.510 0.007 0.000 1.154 35 N CA 0.608 53.666 53.050 0.014 0.000 0.907 35 N CB 0.044 38.547 38.487 0.026 0.000 0.977 35 N HN 0.467 nan 8.380 nan 0.000 0.449 36 L N 0.158 121.370 121.223 -0.018 0.000 2.592 36 L HA 0.126 4.466 4.340 0.001 0.000 0.227 36 L C 0.852 177.685 176.870 -0.062 0.000 1.127 36 L CA -0.024 54.805 54.840 -0.018 0.000 0.884 36 L CB 0.126 42.175 42.059 -0.017 0.000 1.065 36 L HN -0.067 nan 8.230 nan 0.000 0.457 37 R N 0.101 120.509 120.500 -0.154 0.000 2.640 37 R HA -0.041 4.299 4.340 0.001 0.000 0.270 37 R C 0.396 176.496 176.300 -0.334 0.000 1.024 37 R CA 0.199 56.039 56.100 -0.433 0.000 1.085 37 R CB 0.205 30.031 30.300 -0.789 0.000 0.963 37 R HN 0.046 nan 8.270 nan 0.000 0.426 38 F N -1.470 118.526 119.950 0.077 0.000 2.890 38 F HA -0.369 4.158 4.527 0.001 0.000 0.346 38 F C 0.353 176.176 175.800 0.038 0.000 0.660 38 F CA 1.080 59.111 58.000 0.053 0.000 1.091 38 F CB -1.518 37.516 39.000 0.057 0.000 1.535 38 F HN 0.509 nan 8.300 nan 0.000 0.314 39 K N 0.839 121.319 120.400 0.133 0.000 2.106 39 K HA 0.361 4.681 4.320 0.001 0.000 0.246 39 K C 0.112 176.757 176.600 0.076 0.000 0.987 39 K CA -1.030 55.317 56.287 0.101 0.000 0.904 39 K CB 0.509 33.053 32.500 0.074 0.000 1.071 39 K HN -0.166 nan 8.250 nan 0.000 0.453 40 D N 2.946 123.393 120.400 0.079 0.000 2.478 40 D HA -0.010 4.631 4.640 0.001 0.000 0.234 40 D C -2.117 174.222 176.300 0.065 0.000 1.154 40 D CA -0.513 53.536 54.000 0.083 0.000 0.874 40 D CB 0.102 40.959 40.800 0.094 0.000 1.198 40 D HN 0.226 nan 8.370 nan 0.000 0.455 41 P HA 0.089 nan 4.420 nan 0.000 0.275 41 P C -0.774 176.560 177.300 0.055 0.000 1.228 41 P CA -0.399 62.726 63.100 0.042 0.000 0.786 41 P CB 0.823 32.553 31.700 0.048 0.000 0.927 42 V N 4.882 124.817 119.914 0.036 0.000 2.427 42 V HA 0.268 4.388 4.120 0.001 0.000 0.286 42 V C -2.066 174.071 176.094 0.071 0.000 1.034 42 V CA -2.170 60.162 62.300 0.053 0.000 0.893 42 V CB 1.092 32.936 31.823 0.035 0.000 0.982 42 V HN 0.525 nan 8.190 nan 0.000 0.452 43 P HA -0.036 nan 4.420 nan 0.000 0.265 43 P C -0.867 176.532 177.300 0.166 0.000 1.187 43 P CA 0.102 63.301 63.100 0.165 0.000 0.766 43 P CB 0.140 31.936 31.700 0.159 0.000 0.820 44 Y N 2.899 123.252 120.300 0.088 0.000 2.496 44 Y HA 0.156 4.707 4.550 0.001 0.000 0.334 44 Y C -0.067 175.889 175.900 0.094 0.000 1.080 44 Y CA 0.637 58.779 58.100 0.069 0.000 1.355 44 Y CB 0.214 38.721 38.460 0.079 0.000 1.193 44 Y HN 0.225 nan 8.280 nan 0.000 0.523 45 S N 4.825 120.283 115.700 -0.404 0.000 2.520 45 S HA 0.788 5.259 4.470 0.001 0.000 0.324 45 S C -0.029 174.245 174.600 -0.543 0.000 1.069 45 S CA -0.138 57.892 58.200 -0.284 0.000 1.121 45 S CB 0.750 63.856 63.200 -0.157 0.000 0.971 45 S HN 1.107 nan 8.310 nan 0.000 0.463 46 G N 1.074 109.673 108.800 -0.334 0.000 2.349 46 G HA2 0.478 4.438 3.960 0.001 0.000 0.294 46 G HA3 0.478 4.438 3.960 0.001 0.000 0.294 46 G C -1.590 173.386 174.900 0.126 0.000 1.380 46 G CA -0.601 44.380 45.100 -0.199 0.000 0.811 46 G HN 0.474 nan 8.290 nan 0.000 0.519 47 S N -0.848 114.955 115.700 0.172 0.000 2.451 47 S HA 0.600 5.070 4.470 0.001 0.000 0.301 47 S C 0.736 175.499 174.600 0.272 0.000 1.116 47 S CA -0.734 57.583 58.200 0.194 0.000 1.093 47 S CB 0.797 64.070 63.200 0.121 0.000 1.017 47 S HN 0.492 nan 8.310 nan 0.000 0.482 48 L N 2.511 123.910 121.223 0.293 0.000 2.766 48 L HA 0.315 4.656 4.340 0.001 0.000 0.242 48 L C 0.278 177.321 176.870 0.289 0.000 1.136 48 L CA -0.234 54.827 54.840 0.367 0.000 0.933 48 L CB 0.019 42.336 42.059 0.429 0.000 1.241 48 L HN 0.548 nan 8.230 nan 0.000 0.522 49 D N 1.291 121.808 120.400 0.195 0.000 2.531 49 D HA 0.164 4.804 4.640 0.001 0.000 0.239 49 D C 1.371 177.738 176.300 0.113 0.000 1.144 49 D CA 1.564 55.647 54.000 0.139 0.000 0.869 49 D CB 0.873 41.732 40.800 0.098 0.000 1.160 49 D HN 0.322 nan 8.370 nan 0.000 0.484 50 G N 2.963 111.824 108.800 0.101 0.000 2.162 50 G HA2 -0.298 3.662 3.960 0.001 0.000 0.260 50 G HA3 -0.298 3.662 3.960 0.001 0.000 0.260 50 G C 0.301 175.218 174.900 0.029 0.000 0.976 50 G CA 0.479 45.616 45.100 0.062 0.000 0.655 50 G HN 0.601 nan 8.290 nan 0.000 0.533 51 Q N -0.270 119.552 119.800 0.037 0.000 2.214 51 Q HA 0.602 4.942 4.340 0.001 0.000 0.251 51 Q C 0.086 175.912 176.000 -0.291 0.000 0.936 51 Q CA -0.387 55.319 55.803 -0.162 0.000 0.894 51 Q CB 1.268 29.851 28.738 -0.258 0.000 1.252 51 Q HN 0.272 nan 8.270 nan 0.000 0.448 52 K N 1.251 121.375 120.400 -0.460 0.000 2.138 52 K HA 0.437 4.758 4.320 0.001 0.000 0.263 52 K C -1.203 174.994 176.600 -0.671 0.000 0.965 52 K CA -0.380 55.699 56.287 -0.347 0.000 0.868 52 K CB 0.914 33.307 32.500 -0.179 0.000 1.083 52 K HN 0.389 nan 8.250 nan 0.000 0.443 53 F N 1.268 121.253 119.950 0.058 0.000 2.691 53 F HA 0.144 4.672 4.527 0.001 0.000 0.371 53 F C 0.759 176.535 175.800 -0.040 0.000 1.159 53 F CA -0.676 57.351 58.000 0.044 0.000 1.174 53 F CB 1.440 40.528 39.000 0.148 0.000 1.419 53 F HN 0.525 nan 8.300 nan 0.000 0.514 54 T N -3.460 111.103 114.554 0.015 0.000 3.091 54 T HA 0.366 4.716 4.350 0.001 0.000 0.277 54 T C 0.343 174.993 174.700 -0.083 0.000 0.996 54 T CA -0.238 61.825 62.100 -0.061 0.000 0.897 54 T CB 0.321 69.144 68.868 -0.075 0.000 1.109 54 T HN 0.200 nan 8.240 nan 0.000 0.534 55 S N 0.069 115.733 115.700 -0.060 0.000 2.546 55 S HA 0.625 5.096 4.470 0.001 0.000 0.274 55 S C -1.605 172.967 174.600 -0.047 0.000 1.121 55 S CA -0.757 57.408 58.200 -0.058 0.000 0.887 55 S CB 1.028 64.226 63.200 -0.002 0.000 1.094 55 S HN 0.321 nan 8.310 nan 0.000 0.474 56 Y N 1.524 121.839 120.300 0.025 0.000 2.411 56 Y HA 0.402 4.953 4.550 0.001 0.000 0.333 56 Y C 1.361 177.271 175.900 0.017 0.000 1.186 56 Y CA 0.693 58.810 58.100 0.028 0.000 1.381 56 Y CB 0.376 38.842 38.460 0.009 0.000 1.273 56 Y HN 0.770 nan 8.280 nan 0.000 0.546 57 G N 3.394 112.305 108.800 0.185 0.000 2.563 57 G HA2 0.396 4.356 3.960 0.001 0.000 0.283 57 G HA3 0.396 4.356 3.960 0.001 0.000 0.283 57 G C -2.490 172.449 174.900 0.065 0.000 1.309 57 G CA -1.305 43.854 45.100 0.098 0.000 1.022 57 G HN 0.450 nan 8.290 nan 0.000 0.501 58 P HA 0.224 nan 4.420 nan 0.000 0.274 58 P C -0.184 177.095 177.300 -0.034 0.000 1.237 58 P CA -0.272 62.813 63.100 -0.025 0.000 0.793 58 P CB 1.214 32.889 31.700 -0.041 0.000 0.977 59 S N 0.061 115.718 115.700 -0.072 0.000 2.624 59 S HA 0.222 4.693 4.470 0.001 0.000 0.263 59 S C 0.582 175.118 174.600 -0.106 0.000 1.287 59 S CA -0.569 57.578 58.200 -0.089 0.000 0.990 59 S CB 0.163 63.279 63.200 -0.140 0.000 0.950 59 S HN 0.523 nan 8.310 nan 0.000 0.561 60 c N 2.366 120.901 118.600 -0.108 0.000 2.639 60 c HA 0.273 4.843 4.570 0.001 0.000 0.360 60 c C 1.058 174.969 174.090 -0.297 0.000 1.351 60 c CA -0.842 55.377 56.329 -0.183 0.000 2.408 60 c CB -0.560 41.879 42.510 -0.120 0.000 2.517 60 c HN 0.674 nan 8.230 nan 0.000 0.696 61 M N 2.158 121.403 119.600 -0.591 0.000 2.250 61 M HA 0.084 4.565 4.480 0.001 0.000 0.337 61 M C 0.135 176.125 176.300 -0.517 0.000 1.161 61 M CA 1.175 55.985 55.300 -0.817 0.000 1.088 61 M CB -0.195 31.257 32.600 -1.914 0.000 1.639 61 M HN 0.624 nan 8.290 nan 0.000 0.447 62 Q N 1.920 121.594 119.800 -0.211 0.000 2.309 62 Q HA 0.385 4.726 4.340 0.001 0.000 0.264 62 Q C -0.615 175.511 176.000 0.210 0.000 1.008 62 Q CA -0.485 55.350 55.803 0.053 0.000 0.853 62 Q CB 2.360 31.153 28.738 0.093 0.000 1.314 62 Q HN 0.606 nan 8.270 nan 0.000 0.448 63 Q N 1.913 121.904 119.800 0.318 0.000 2.230 63 Q HA 0.159 4.499 4.340 0.001 0.000 0.253 63 Q C -0.356 175.767 176.000 0.204 0.000 0.919 63 Q CA -0.595 55.404 55.803 0.326 0.000 0.908 63 Q CB 0.975 29.937 28.738 0.373 0.000 1.245 63 Q HN 0.435 nan 8.270 nan 0.000 0.437 64 N N 4.329 123.113 118.700 0.139 0.000 2.438 64 N HA 0.059 4.799 4.740 0.001 0.000 0.267 64 N C -2.096 173.425 175.510 0.018 0.000 1.222 64 N CA -1.459 51.620 53.050 0.049 0.000 0.930 64 N CB 1.167 39.669 38.487 0.026 0.000 1.083 64 N HN 0.473 nan 8.380 nan 0.000 0.476 65 P HA -0.098 nan 4.420 nan 0.000 0.218 65 P C 0.258 177.424 177.300 -0.223 0.000 1.146 65 P CA 1.174 64.084 63.100 -0.318 0.000 0.813 65 P CB 0.352 31.745 31.700 -0.511 0.000 0.778 66 E N -0.766 119.367 120.200 -0.112 0.000 2.463 66 E HA 0.154 4.505 4.350 0.001 0.000 0.193 66 E C 1.142 177.720 176.600 -0.036 0.000 1.041 66 E CA -0.021 56.338 56.400 -0.068 0.000 0.879 66 E CB -0.249 29.416 29.700 -0.059 0.000 0.997 66 E HN 0.136 nan 8.360 nan 0.000 0.478 67 G N 0.714 109.510 108.800 -0.007 0.000 2.554 67 G HA2 0.238 4.198 3.960 0.001 0.000 0.238 67 G HA3 0.238 4.198 3.960 0.001 0.000 0.238 67 G C 0.034 174.938 174.900 0.008 0.000 1.259 67 G CA 0.501 45.614 45.100 0.022 0.000 0.843 67 G HN 0.082 nan 8.290 nan 0.000 0.582 68 T N -0.643 113.904 114.554 -0.011 0.000 2.800 68 T HA 0.201 4.552 4.350 0.001 0.000 0.327 68 T C 0.472 175.126 174.700 -0.077 0.000 1.838 68 T CA -0.058 61.983 62.100 -0.100 0.000 1.024 68 T CB 0.094 68.823 68.868 -0.231 0.000 1.755 68 T HN 0.903 nan 8.240 nan 0.000 0.507 69 Y N 0.439 120.760 120.300 0.036 0.000 2.561 69 Y HA 0.502 5.053 4.550 0.001 0.000 0.291 69 Y C 0.704 176.611 175.900 0.013 0.000 1.141 69 Y CA -0.234 57.878 58.100 0.021 0.000 1.303 69 Y CB -0.410 38.060 38.460 0.017 0.000 1.015 69 Y HN 0.485 nan 8.280 nan 0.000 0.547 70 E N 1.270 121.324 120.200 -0.243 0.000 2.314 70 E HA 0.169 4.519 4.350 0.001 0.000 0.262 70 E C -0.371 176.189 176.600 -0.066 0.000 1.093 70 E CA -0.661 55.669 56.400 -0.117 0.000 0.908 70 E CB 0.649 30.218 29.700 -0.217 0.000 1.091 70 E HN 0.161 nan 8.360 nan 0.000 0.425 71 E N 1.731 121.908 120.200 -0.039 0.000 2.158 71 E HA 0.279 4.629 4.350 0.001 0.000 0.271 71 E C -0.895 175.678 176.600 -0.046 0.000 0.911 71 E CA -0.557 55.824 56.400 -0.032 0.000 0.767 71 E CB 1.368 31.060 29.700 -0.014 0.000 1.120 71 E HN 0.523 nan 8.360 nan 0.000 0.405 72 N N 0.792 119.463 118.700 -0.048 0.000 2.927 72 N HA 0.116 4.857 4.740 0.001 0.000 0.248 72 N C -0.015 175.467 175.510 -0.046 0.000 1.443 72 N CA -0.726 52.293 53.050 -0.052 0.000 0.870 72 N CB 0.460 38.907 38.487 -0.066 0.000 1.444 72 N HN 0.243 nan 8.380 nan 0.000 0.519 73 L N 0.206 121.401 121.223 -0.047 0.000 1.994 73 L HA 0.208 4.548 4.340 0.001 0.000 0.208 73 L C -1.035 175.809 176.870 -0.045 0.000 1.071 73 L CA 2.041 56.855 54.840 -0.043 0.000 0.745 73 L CB -1.550 40.482 42.059 -0.044 0.000 0.892 73 L HN 0.679 nan 8.230 nan 0.000 0.431 74 P HA -0.235 nan 4.420 nan 0.000 0.216 74 P C 1.502 178.773 177.300 -0.048 0.000 1.153 74 P CA 1.734 64.804 63.100 -0.049 0.000 0.858 74 P CB -0.084 31.586 31.700 -0.050 0.000 0.789 75 K N -0.239 120.133 120.400 -0.047 0.000 2.002 75 K HA -0.145 4.175 4.320 0.001 0.000 0.209 75 K C 2.032 178.608 176.600 -0.040 0.000 1.048 75 K CA 1.700 57.962 56.287 -0.042 0.000 0.930 75 K CB -0.746 31.731 32.500 -0.040 0.000 0.714 75 K HN -0.047 nan 8.250 nan 0.000 0.438 76 A N 1.041 123.839 122.820 -0.037 0.000 1.908 76 A HA -0.126 4.194 4.320 0.001 0.000 0.218 76 A C 2.330 179.889 177.584 -0.041 0.000 1.181 76 A CA 2.016 54.033 52.037 -0.034 0.000 0.627 76 A CB -0.827 18.155 19.000 -0.030 0.000 0.818 76 A HN 0.538 nan 8.150 nan 0.000 0.445 77 A N -0.491 122.303 122.820 -0.044 0.000 1.873 77 A HA 0.007 4.327 4.320 0.001 0.000 0.215 77 A C 2.184 179.729 177.584 -0.065 0.000 1.186 77 A CA 1.403 53.411 52.037 -0.049 0.000 0.616 77 A CB -0.556 18.417 19.000 -0.045 0.000 0.823 77 A HN 0.456 nan 8.150 nan 0.000 0.442 78 L N -0.870 120.310 121.223 -0.071 0.000 2.093 78 L HA -0.194 4.146 4.340 0.001 0.000 0.208 78 L C 2.296 179.088 176.870 -0.130 0.000 1.085 78 L CA 1.862 56.641 54.840 -0.101 0.000 0.755 78 L CB -0.487 41.520 42.059 -0.087 0.000 0.904 78 L HN 0.466 nan 8.230 nan 0.000 0.435 79 D N -0.006 120.341 120.400 -0.089 0.000 2.117 79 D HA -0.229 4.411 4.640 0.001 0.000 0.197 79 D C 2.296 178.542 176.300 -0.090 0.000 0.987 79 D CA 0.828 54.780 54.000 -0.080 0.000 0.829 79 D CB 0.096 40.872 40.800 -0.040 0.000 0.961 79 D HN 0.189 nan 8.370 nan 0.000 0.460 80 L N -0.241 120.938 121.223 -0.074 0.000 2.012 80 L HA -0.175 4.165 4.340 0.001 0.000 0.210 80 L C 2.134 178.951 176.870 -0.088 0.000 1.073 80 L CA 1.045 55.849 54.840 -0.061 0.000 0.748 80 L CB -0.202 41.830 42.059 -0.045 0.000 0.891 80 L HN 0.021 nan 8.230 nan 0.000 0.431 81 V N 0.140 119.977 119.914 -0.129 0.000 2.295 81 V HA -0.349 3.771 4.120 0.001 0.000 0.246 81 V C 2.499 178.370 176.094 -0.372 0.000 1.049 81 V CA 2.393 64.585 62.300 -0.181 0.000 1.024 81 V CB -0.439 31.271 31.823 -0.189 0.000 0.648 81 V HN 0.459 nan 8.190 nan 0.000 0.447 82 M N -0.732 118.567 119.600 -0.502 0.000 2.296 82 M HA -0.120 4.360 4.480 0.001 0.000 0.265 82 M C 1.775 177.914 176.300 -0.268 0.000 1.064 82 M CA 1.245 56.103 55.300 -0.737 0.000 1.109 82 M CB -0.227 32.066 32.600 -0.512 0.000 1.396 82 M HN 0.299 nan 8.290 nan 0.000 0.430 83 Q N 0.172 119.898 119.800 -0.122 0.000 2.280 83 Q HA 0.146 4.486 4.340 0.001 0.000 0.201 83 Q C 0.564 176.578 176.000 0.024 0.000 0.890 83 Q CA 0.083 55.877 55.803 -0.015 0.000 0.947 83 Q CB -0.148 28.583 28.738 -0.011 0.000 1.081 83 Q HN 0.466 nan 8.270 nan 0.000 0.502 84 S N -0.273 115.446 115.700 0.032 0.000 2.576 84 S HA 0.223 4.694 4.470 0.001 0.000 0.276 84 S C 0.983 175.646 174.600 0.106 0.000 1.339 84 S CA -0.499 57.740 58.200 0.065 0.000 1.039 84 S CB 1.363 64.601 63.200 0.064 0.000 0.902 84 S HN -0.171 nan 8.310 nan 0.000 0.516 85 K N 1.969 122.410 120.400 0.068 0.000 2.209 85 K HA 0.027 4.347 4.320 0.001 0.000 0.204 85 K C 1.784 178.419 176.600 0.058 0.000 1.048 85 K CA 1.123 57.443 56.287 0.056 0.000 0.940 85 K CB -0.816 31.704 32.500 0.033 0.000 0.729 85 K HN 0.554 nan 8.250 nan 0.000 0.451 86 V N 0.149 120.104 119.914 0.069 0.000 2.323 86 V HA -0.186 3.934 4.120 0.001 0.000 0.244 86 V C 1.893 178.027 176.094 0.066 0.000 1.041 86 V CA 1.588 63.920 62.300 0.054 0.000 1.025 86 V CB -0.516 31.340 31.823 0.055 0.000 0.656 86 V HN 0.194 nan 8.190 nan 0.000 0.451 87 F N 1.319 121.258 119.950 -0.018 0.000 2.102 87 F HA -0.193 4.335 4.527 0.001 0.000 0.298 87 F C 2.420 178.206 175.800 -0.024 0.000 1.105 87 F CA 2.168 60.155 58.000 -0.022 0.000 1.239 87 F CB -0.168 38.821 39.000 -0.019 0.000 0.991 87 F HN 0.120 nan 8.300 nan 0.000 0.474 88 E N 0.138 120.445 120.200 0.177 0.000 2.171 88 E HA -0.213 4.138 4.350 0.001 0.000 0.197 88 E C 2.062 178.639 176.600 -0.039 0.000 0.997 88 E CA 1.406 57.852 56.400 0.078 0.000 0.810 88 E CB -0.367 29.385 29.700 0.087 0.000 0.738 88 E HN 0.484 nan 8.360 nan 0.000 0.467 89 A N -0.701 122.090 122.820 -0.048 0.000 1.911 89 A HA -0.011 4.309 4.320 0.001 0.000 0.212 89 A C 2.277 179.793 177.584 -0.113 0.000 1.189 89 A CA 0.913 52.912 52.037 -0.064 0.000 0.639 89 A CB -0.097 18.882 19.000 -0.035 0.000 0.839 89 A HN 0.154 nan 8.150 nan 0.000 0.449 90 V N -0.840 118.971 119.914 -0.171 0.000 2.719 90 V HA 0.029 4.150 4.120 0.001 0.000 0.252 90 V C 1.269 177.186 176.094 -0.295 0.000 1.065 90 V CA 1.695 63.870 62.300 -0.207 0.000 1.086 90 V CB 0.088 31.783 31.823 -0.213 0.000 0.700 90 V HN 0.421 nan 8.190 nan 0.000 0.467 91 S N 1.257 116.693 115.700 -0.440 0.000 2.216 91 S HA 0.368 4.839 4.470 0.001 0.000 0.156 91 S C -2.699 171.713 174.600 -0.312 0.000 1.665 91 S CA -1.047 56.873 58.200 -0.467 0.000 1.262 91 S CB 0.736 63.443 63.200 -0.822 0.000 1.207 91 S HN 0.270 nan 8.310 nan 0.000 0.427 92 P HA 0.317 nan 4.420 nan 0.000 0.275 92 P C -0.667 176.581 177.300 -0.086 0.000 1.227 92 P CA -0.148 62.894 63.100 -0.097 0.000 0.781 92 P CB 1.272 32.931 31.700 -0.067 0.000 0.906 93 S N 0.774 116.435 115.700 -0.066 0.000 2.599 93 S HA 0.801 5.271 4.470 0.001 0.000 0.287 93 S C -0.678 173.860 174.600 -0.104 0.000 1.105 93 S CA -0.776 57.369 58.200 -0.092 0.000 0.899 93 S CB 1.833 64.979 63.200 -0.090 0.000 1.100 93 S HN 0.612 nan 8.310 nan 0.000 0.482 94 S N -0.439 115.173 115.700 -0.147 0.000 2.595 94 S HA 0.349 4.819 4.470 0.001 0.000 0.270 94 S C -0.221 174.258 174.600 -0.201 0.000 1.145 94 S CA -0.592 57.522 58.200 -0.144 0.000 0.825 94 S CB 1.238 64.388 63.200 -0.084 0.000 1.107 94 S HN 0.789 nan 8.310 nan 0.000 0.461 95 E N 0.502 120.590 120.200 -0.187 0.000 2.285 95 E HA -0.034 4.317 4.350 0.001 0.000 0.194 95 E C -0.401 176.127 176.600 -0.120 0.000 0.997 95 E CA 0.472 56.756 56.400 -0.194 0.000 0.845 95 E CB 0.094 29.717 29.700 -0.128 0.000 0.782 95 E HN 0.491 nan 8.360 nan 0.000 0.491 96 D N 0.351 120.698 120.400 -0.089 0.000 2.468 96 D HA 0.017 4.658 4.640 0.001 0.000 0.218 96 D C 0.019 176.276 176.300 -0.071 0.000 1.155 96 D CA -0.376 53.584 54.000 -0.066 0.000 0.924 96 D CB 0.127 40.905 40.800 -0.037 0.000 1.029 96 D HN 0.119 nan 8.370 nan 0.000 0.515 97 c N 2.444 120.994 118.600 -0.083 0.000 3.865 97 c HA 0.357 4.928 4.570 0.001 0.000 0.297 97 c C 0.750 174.814 174.090 -0.043 0.000 1.758 97 c CA -0.643 55.651 56.329 -0.058 0.000 1.778 97 c CB -1.299 41.171 42.510 -0.066 0.000 3.158 97 c HN 0.456 nan 8.230 nan 0.000 0.598 98 L N 4.104 125.246 121.223 -0.135 0.000 2.382 98 L HA 0.307 4.647 4.340 0.001 0.000 0.259 98 L C 0.699 177.387 176.870 -0.304 0.000 1.291 98 L CA 0.911 55.585 54.840 -0.277 0.000 1.176 98 L CB -0.564 41.143 42.059 -0.586 0.000 1.373 98 L HN 0.612 nan 8.230 nan 0.000 0.426 99 T N -0.833 113.767 114.554 0.076 0.000 2.942 99 T HA 0.722 5.073 4.350 0.001 0.000 0.289 99 T C -0.474 174.363 174.700 0.229 0.000 1.044 99 T CA -0.726 61.446 62.100 0.120 0.000 1.023 99 T CB 2.866 71.756 68.868 0.036 0.000 1.123 99 T HN 0.210 nan 8.240 nan 0.000 0.512 100 I N 0.885 121.438 120.570 -0.029 0.000 2.689 100 I HA 0.552 4.723 4.170 0.001 0.000 0.299 100 I C -1.500 174.475 176.117 -0.237 0.000 1.059 100 I CA -1.124 60.015 61.300 -0.270 0.000 1.055 100 I CB 1.991 39.524 38.000 -0.779 0.000 1.243 100 I HN 0.883 nan 8.210 nan 0.000 0.425 101 N N 5.254 123.879 118.700 -0.125 0.000 2.284 101 N HA 0.604 5.344 4.740 0.001 0.000 0.300 101 N C -1.667 173.812 175.510 -0.051 0.000 1.047 101 N CA -0.657 52.366 53.050 -0.046 0.000 0.821 101 N CB 2.570 41.126 38.487 0.114 0.000 1.337 101 N HN 0.128 nan 8.380 nan 0.000 0.482 102 V N 2.037 121.920 119.914 -0.051 0.000 2.407 102 V HA 0.486 4.607 4.120 0.001 0.000 0.291 102 V C -0.607 175.571 176.094 0.139 0.000 1.018 102 V CA -0.689 61.571 62.300 -0.066 0.000 0.842 102 V CB 1.504 33.027 31.823 -0.500 0.000 0.996 102 V HN 0.400 nan 8.190 nan 0.000 0.426 103 V N 6.322 126.330 119.914 0.157 0.000 2.540 103 V HA 0.724 4.844 4.120 0.001 0.000 0.302 103 V C -0.046 176.150 176.094 0.171 0.000 1.035 103 V CA -0.730 61.665 62.300 0.160 0.000 0.873 103 V CB 1.962 33.843 31.823 0.096 0.000 0.992 103 V HN 1.035 nan 8.190 nan 0.000 0.428 104 R N 3.680 124.285 120.500 0.175 0.000 2.855 104 R HA 0.741 5.082 4.340 0.001 0.000 0.266 104 R C -3.212 173.158 176.300 0.117 0.000 1.034 104 R CA -2.277 53.918 56.100 0.159 0.000 0.944 104 R CB 1.685 32.111 30.300 0.209 0.000 1.219 104 R HN 0.323 nan 8.270 nan 0.000 0.474 105 P HA 0.184 nan 4.420 nan 0.000 0.271 105 P C -2.471 174.873 177.300 0.074 0.000 1.218 105 P CA -1.157 61.986 63.100 0.071 0.000 0.780 105 P CB 0.147 31.885 31.700 0.063 0.000 0.901 106 P HA 0.042 nan 4.420 nan 0.000 0.266 106 P C 0.866 178.199 177.300 0.054 0.000 1.195 106 P CA 1.170 64.300 63.100 0.049 0.000 0.768 106 P CB 0.121 31.839 31.700 0.030 0.000 0.838 107 G N 1.209 110.046 108.800 0.061 0.000 2.148 107 G HA2 -0.216 3.744 3.960 0.001 0.000 0.254 107 G HA3 -0.216 3.744 3.960 0.001 0.000 0.254 107 G C 0.235 175.175 174.900 0.066 0.000 0.981 107 G CA 0.045 45.178 45.100 0.056 0.000 0.670 107 G HN 0.592 nan 8.290 nan 0.000 0.528 108 T N 1.747 116.355 114.554 0.090 0.000 2.897 108 T HA 0.560 4.910 4.350 0.001 0.000 0.294 108 T C 0.281 175.040 174.700 0.097 0.000 1.004 108 T CA 0.051 62.207 62.100 0.094 0.000 1.106 108 T CB 1.509 70.448 68.868 0.119 0.000 0.949 108 T HN 0.224 nan 8.240 nan 0.000 0.520 109 K N 1.039 121.481 120.400 0.069 0.000 2.395 109 K HA 0.696 5.017 4.320 0.001 0.000 0.247 109 K C -0.265 176.354 176.600 0.032 0.000 0.973 109 K CA -0.965 55.352 56.287 0.049 0.000 0.828 109 K CB 1.871 34.391 32.500 0.032 0.000 1.272 109 K HN 0.666 nan 8.250 nan 0.000 0.439 110 A N -0.003 122.817 122.820 -0.000 0.000 2.531 110 A HA 0.405 4.725 4.320 0.001 0.000 0.236 110 A C 1.189 178.769 177.584 -0.007 0.000 1.062 110 A CA 1.385 53.409 52.037 -0.022 0.000 0.760 110 A CB -0.740 18.221 19.000 -0.064 0.000 0.995 110 A HN 0.992 nan 8.150 nan 0.000 0.501 111 G N 0.428 109.226 108.800 -0.003 0.000 2.195 111 G HA2 -0.019 3.941 3.960 0.001 0.000 0.246 111 G HA3 -0.019 3.941 3.960 0.001 0.000 0.246 111 G C 1.210 176.116 174.900 0.011 0.000 0.984 111 G CA 1.083 46.183 45.100 0.000 0.000 0.633 111 G HN 1.998 nan 8.290 nan 0.000 0.525 112 A N 0.515 123.348 122.820 0.022 0.000 1.972 112 A HA 0.159 4.479 4.320 0.001 0.000 0.219 112 A C 1.634 179.232 177.584 0.024 0.000 1.169 112 A CA 1.863 53.916 52.037 0.027 0.000 0.635 112 A CB -0.416 18.609 19.000 0.041 0.000 0.810 112 A HN 1.422 nan 8.150 nan 0.000 0.446 113 N N -1.130 117.584 118.700 0.025 0.000 2.740 113 N HA -0.130 4.610 4.740 0.001 0.000 0.248 113 N C -0.522 175.001 175.510 0.021 0.000 1.062 113 N CA 0.906 53.967 53.050 0.019 0.000 0.704 113 N CB -1.776 36.717 38.487 0.010 0.000 0.968 113 N HN 0.563 nan 8.380 nan 0.000 0.547 114 L N 0.058 121.300 121.223 0.032 0.000 2.436 114 L HA 0.325 4.666 4.340 0.001 0.000 0.265 114 L C -1.566 175.319 176.870 0.025 0.000 1.168 114 L CA -1.433 53.425 54.840 0.031 0.000 0.815 114 L CB 0.226 42.314 42.059 0.048 0.000 1.109 114 L HN -0.171 nan 8.230 nan 0.000 0.462 115 P HA 0.086 nan 4.420 nan 0.000 0.272 115 P C -0.998 176.310 177.300 0.013 0.000 1.223 115 P CA -0.146 62.955 63.100 0.001 0.000 0.784 115 P CB 0.862 32.552 31.700 -0.017 0.000 0.923 116 V N 3.918 123.838 119.914 0.009 0.000 2.495 116 V HA 0.401 4.521 4.120 0.001 0.000 0.298 116 V C 0.073 176.169 176.094 0.003 0.000 1.031 116 V CA -0.339 61.972 62.300 0.018 0.000 0.871 116 V CB 1.421 33.260 31.823 0.027 0.000 0.988 116 V HN 0.463 nan 8.190 nan 0.000 0.432 117 M N 5.829 125.429 119.600 0.001 0.000 2.072 117 M HA 0.490 4.970 4.480 0.001 0.000 0.331 117 M C -0.883 175.495 176.300 0.130 0.000 1.004 117 M CA -0.295 54.999 55.300 -0.010 0.000 0.952 117 M CB 1.705 34.198 32.600 -0.179 0.000 1.511 117 M HN 0.485 nan 8.290 nan 0.000 0.422 118 L N 4.757 126.093 121.223 0.188 0.000 2.255 118 L HA 0.400 4.740 4.340 0.001 0.000 0.289 118 L C -0.893 176.040 176.870 0.106 0.000 1.046 118 L CA -0.275 54.614 54.840 0.082 0.000 0.816 118 L CB 0.694 42.728 42.059 -0.042 0.000 1.197 118 L HN 0.756 nan 8.230 nan 0.000 0.427 119 W N 7.928 129.051 121.300 -0.294 0.000 2.316 119 W HA 0.429 5.089 4.660 0.001 0.000 0.311 119 W C -1.398 174.852 176.519 -0.448 0.000 1.217 119 W CA -0.725 56.240 57.345 -0.634 0.000 1.199 119 W CB 1.172 30.275 29.460 -0.594 0.000 1.202 119 W HN 0.362 nan 8.180 nan 0.000 0.528 120 I N 9.286 129.023 120.570 -1.389 0.000 2.411 120 I HA 0.119 4.289 4.170 0.001 0.000 0.284 120 I C 0.037 175.180 176.117 -1.623 0.000 1.012 120 I CA -0.971 59.619 61.300 -1.183 0.000 1.119 120 I CB 0.627 38.118 38.000 -0.848 0.000 1.261 120 I HN 0.214 nan 8.210 nan 0.000 0.448 121 F N 4.347 123.650 119.950 -1.079 0.000 2.490 121 F HA 0.709 5.237 4.527 0.001 0.000 0.336 121 F C 0.863 176.396 175.800 -0.443 0.000 1.178 121 F CA -0.588 56.869 58.000 -0.905 0.000 1.301 121 F CB -0.093 38.557 39.000 -0.584 0.000 1.175 121 F HN 0.388 nan 8.300 nan 0.000 0.593 122 G N -0.858 107.938 108.800 -0.007 0.000 2.531 122 G HA2 0.503 4.464 3.960 0.001 0.000 0.281 122 G HA3 0.503 4.464 3.960 0.001 0.000 0.281 122 G C 0.302 175.308 174.900 0.177 0.000 1.382 122 G CA -0.833 44.268 45.100 0.003 0.000 1.045 122 G HN 1.785 nan 8.290 nan 0.000 0.533 123 G N -2.794 106.015 108.800 0.015 0.000 2.165 123 G HA2 0.394 4.355 3.960 0.001 0.000 0.144 123 G HA3 0.394 4.355 3.960 0.001 0.000 0.144 123 G C 1.021 175.793 174.900 -0.214 0.000 1.049 123 G CA 0.665 45.777 45.100 0.019 0.000 0.741 123 G HN 2.311 nan 8.290 nan 0.000 0.493 124 G N -0.176 108.358 108.800 -0.444 0.000 2.321 124 G HA2 -0.099 3.861 3.960 0.001 0.000 0.287 124 G HA3 -0.099 3.861 3.960 0.001 0.000 0.287 124 G C 0.861 175.714 174.900 -0.078 0.000 1.018 124 G CA 0.616 45.435 45.100 -0.467 0.000 0.855 124 G HN 1.803 nan 8.290 nan 0.000 0.507 125 F N -2.210 117.757 119.950 0.028 0.000 3.093 125 F HA -0.248 4.280 4.527 0.001 0.000 0.283 125 F C 1.386 177.357 175.800 0.286 0.000 0.848 125 F CA 1.847 59.900 58.000 0.089 0.000 1.059 125 F CB -1.768 37.065 39.000 -0.278 0.000 1.191 125 F HN 0.524 nan 8.300 nan 0.000 0.514 126 E N -1.431 119.016 120.200 0.411 0.000 2.535 126 E HA 0.334 4.684 4.350 0.001 0.000 0.216 126 E C 0.468 177.315 176.600 0.411 0.000 0.845 126 E CA 0.722 57.410 56.400 0.481 0.000 1.306 126 E CB 1.230 31.288 29.700 0.598 0.000 1.291 126 E HN 0.225 nan 8.360 nan 0.000 0.635 127 V N -2.568 117.560 119.914 0.356 0.000 3.167 127 V HA 0.967 5.088 4.120 0.001 0.000 0.310 127 V C -0.258 175.939 176.094 0.171 0.000 1.207 127 V CA -0.237 62.221 62.300 0.263 0.000 1.059 127 V CB 1.543 33.558 31.823 0.320 0.000 1.079 127 V HN 0.167 nan 8.190 nan 0.000 0.446 128 G N -1.175 107.618 108.800 -0.012 0.000 2.402 128 G HA2 0.583 4.543 3.960 0.001 0.000 0.666 128 G HA3 0.583 4.543 3.960 0.001 0.000 0.666 128 G C -0.419 173.907 174.900 -0.956 0.000 1.402 128 G CA 0.087 44.949 45.100 -0.396 0.000 0.920 128 G HN 2.465 nan 8.290 nan 0.000 0.651 129 G N -1.296 106.735 108.800 -1.282 0.000 2.673 129 G HA2 0.768 4.728 3.960 0.001 0.000 0.292 129 G HA3 0.768 4.728 3.960 0.001 0.000 0.292 129 G C 0.767 175.391 174.900 -0.460 0.000 1.450 129 G CA 0.893 45.466 45.100 -0.879 0.000 0.837 129 G HN 1.843 nan 8.290 nan 0.000 0.505 130 T N -2.026 112.492 114.554 -0.060 0.000 2.995 130 T HA -0.072 4.278 4.350 0.001 0.000 0.269 130 T C 2.472 177.136 174.700 -0.059 0.000 1.091 130 T CA 1.942 64.191 62.100 0.249 0.000 1.128 130 T CB -0.232 68.841 68.868 0.343 0.000 0.891 130 T HN 1.031 nan 8.240 nan 0.000 0.492 131 S N 2.115 117.524 115.700 -0.484 0.000 2.474 131 S HA -0.098 4.372 4.470 0.001 0.000 0.235 131 S C 1.911 176.178 174.600 -0.556 0.000 0.997 131 S CA 1.052 58.653 58.200 -0.998 0.000 0.949 131 S CB -1.267 61.436 63.200 -0.828 0.000 0.766 131 S HN 0.747 nan 8.310 nan 0.000 0.517 132 T N -1.269 113.026 114.554 -0.432 0.000 3.188 132 T HA 0.357 4.708 4.350 0.001 0.000 0.250 132 T C -0.171 174.016 174.700 -0.855 0.000 1.077 132 T CA -0.377 61.370 62.100 -0.588 0.000 0.967 132 T CB -0.747 67.715 68.868 -0.677 0.000 1.006 132 T HN 0.354 nan 8.240 nan 0.000 0.552 133 F N 2.887 122.750 119.950 -0.146 0.000 2.531 133 F HA 0.365 4.892 4.527 0.001 0.000 0.333 133 F C -2.440 173.168 175.800 -0.320 0.000 1.292 133 F CA -3.020 54.849 58.000 -0.219 0.000 1.184 133 F CB 0.899 39.777 39.000 -0.203 0.000 1.426 133 F HN -0.073 nan 8.300 nan 0.000 0.559 134 P HA 0.017 nan 4.420 nan 0.000 0.262 134 P C -2.162 174.929 177.300 -0.347 0.000 1.199 134 P CA -0.833 62.085 63.100 -0.303 0.000 0.763 134 P CB 1.122 32.579 31.700 -0.406 0.000 0.790 135 P HA 0.011 nan 4.420 nan 0.000 0.251 135 P C 1.228 178.363 177.300 -0.275 0.000 1.223 135 P CA 0.319 63.086 63.100 -0.556 0.000 0.796 135 P CB 0.088 31.168 31.700 -1.034 0.000 1.068 136 A N 1.120 123.824 122.820 -0.193 0.000 1.892 136 A HA -0.269 4.052 4.320 0.001 0.000 0.218 136 A C 2.495 180.026 177.584 -0.089 0.000 1.188 136 A CA 2.085 54.053 52.037 -0.115 0.000 0.631 136 A CB -1.594 17.346 19.000 -0.101 0.000 0.822 136 A HN 0.245 nan 8.150 nan 0.000 0.447 137 Q N -1.611 118.124 119.800 -0.109 0.000 2.096 137 Q HA -0.236 4.104 4.340 0.001 0.000 0.204 137 Q C 2.060 178.043 176.000 -0.028 0.000 0.982 137 Q CA 2.111 57.876 55.803 -0.064 0.000 0.850 137 Q CB -0.216 28.478 28.738 -0.074 0.000 0.901 137 Q HN 0.620 nan 8.270 nan 0.000 0.422 138 M N 0.258 119.843 119.600 -0.026 0.000 2.067 138 M HA -0.128 4.353 4.480 0.001 0.000 0.260 138 M C 1.773 178.094 176.300 0.034 0.000 1.069 138 M CA 1.609 56.929 55.300 0.034 0.000 1.117 138 M CB -0.216 32.444 32.600 0.100 0.000 1.334 138 M HN 0.329 nan 8.290 nan 0.000 0.407 139 I N -0.865 119.715 120.570 0.017 0.000 2.163 139 I HA -0.336 3.835 4.170 0.001 0.000 0.243 139 I C 2.045 178.174 176.117 0.019 0.000 1.085 139 I CA 1.785 63.103 61.300 0.029 0.000 1.347 139 I CB -0.872 37.140 38.000 0.021 0.000 1.044 139 I HN 0.350 nan 8.210 nan 0.000 0.408 140 T N 0.359 114.915 114.554 0.002 0.000 2.684 140 T HA -0.241 4.109 4.350 0.001 0.000 0.267 140 T C 1.916 176.621 174.700 0.008 0.000 1.036 140 T CA 1.739 63.841 62.100 0.003 0.000 1.148 140 T CB -0.232 68.631 68.868 -0.007 0.000 0.863 140 T HN 0.122 nan 8.240 nan 0.000 0.436 141 K N 1.892 122.297 120.400 0.009 0.000 2.147 141 K HA -0.073 4.247 4.320 0.001 0.000 0.205 141 K C 2.432 179.041 176.600 0.016 0.000 1.049 141 K CA 1.826 58.119 56.287 0.011 0.000 0.936 141 K CB -0.662 31.844 32.500 0.010 0.000 0.722 141 K HN 0.413 nan 8.250 nan 0.000 0.446 142 S N -0.243 115.471 115.700 0.024 0.000 2.402 142 S HA -0.097 4.374 4.470 0.001 0.000 0.229 142 S C 2.070 176.684 174.600 0.024 0.000 1.021 142 S CA 1.138 59.355 58.200 0.028 0.000 0.974 142 S CB -0.516 62.708 63.200 0.039 0.000 0.800 142 S HN 0.344 nan 8.310 nan 0.000 0.484 143 I N 2.182 122.766 120.570 0.023 0.000 2.233 143 I HA -0.055 4.115 4.170 0.001 0.000 0.243 143 I C 3.075 179.202 176.117 0.016 0.000 1.093 143 I CA 1.074 62.386 61.300 0.021 0.000 1.380 143 I CB -0.614 37.398 38.000 0.021 0.000 1.067 143 I HN 0.425 nan 8.210 nan 0.000 0.413 144 A N 0.283 123.110 122.820 0.013 0.000 2.019 144 A HA -0.187 4.133 4.320 0.001 0.000 0.219 144 A C 2.280 179.869 177.584 0.010 0.000 1.164 144 A CA 1.555 53.597 52.037 0.010 0.000 0.644 144 A CB -0.568 18.436 19.000 0.007 0.000 0.805 144 A HN 0.400 nan 8.150 nan 0.000 0.449 145 M N -1.581 118.026 119.600 0.012 0.000 2.558 145 M HA 0.133 4.613 4.480 0.001 0.000 0.255 145 M C 1.347 177.655 176.300 0.013 0.000 1.113 145 M CA 0.780 56.087 55.300 0.012 0.000 1.097 145 M CB 0.161 32.769 32.600 0.014 0.000 1.426 145 M HN 0.622 nan 8.290 nan 0.000 0.488 146 G N 1.913 110.721 108.800 0.014 0.000 2.160 146 G HA2 -0.266 3.694 3.960 0.001 0.000 0.251 146 G HA3 -0.266 3.694 3.960 0.001 0.000 0.251 146 G C 0.044 174.953 174.900 0.014 0.000 1.008 146 G CA 0.184 45.292 45.100 0.014 0.000 0.724 146 G HN 0.492 nan 8.290 nan 0.000 0.514 147 K N 0.800 121.210 120.400 0.016 0.000 3.084 147 K HA 0.240 4.561 4.320 0.001 0.000 0.172 147 K C -2.636 173.977 176.600 0.022 0.000 1.078 147 K CA -1.513 54.784 56.287 0.016 0.000 0.875 147 K CB 2.236 34.745 32.500 0.015 0.000 1.064 147 K HN 0.239 nan 8.250 nan 0.000 0.597 148 P HA 0.036 nan 4.420 nan 0.000 0.268 148 P C -0.425 176.898 177.300 0.038 0.000 1.204 148 P CA -0.087 63.033 63.100 0.035 0.000 0.768 148 P CB 0.537 32.259 31.700 0.037 0.000 0.842 149 I N 0.241 120.841 120.570 0.050 0.000 3.042 149 I HA 0.571 4.742 4.170 0.001 0.000 0.310 149 I C -0.550 175.618 176.117 0.085 0.000 1.117 149 I CA -1.447 59.886 61.300 0.055 0.000 1.003 149 I CB 1.717 39.742 38.000 0.042 0.000 1.228 149 I HN 0.142 nan 8.210 nan 0.000 0.443 150 I N 3.359 123.982 120.570 0.088 0.000 2.377 150 I HA 0.302 4.473 4.170 0.001 0.000 0.293 150 I C -0.586 175.620 176.117 0.148 0.000 0.987 150 I CA -0.573 60.797 61.300 0.117 0.000 1.185 150 I CB 1.105 39.163 38.000 0.097 0.000 1.341 150 I HN 0.633 nan 8.210 nan 0.000 0.455 151 H N 6.645 125.766 119.070 0.085 0.000 2.517 151 H HA 0.500 5.057 4.556 0.001 0.000 0.317 151 H C -1.458 173.932 175.328 0.102 0.000 1.080 151 H CA -0.340 55.781 56.048 0.122 0.000 1.301 151 H CB 1.535 31.371 29.762 0.122 0.000 1.425 151 H HN 0.244 nan 8.280 nan 0.000 0.471 152 V N 4.598 124.496 119.914 -0.026 0.000 2.604 152 V HA 0.322 4.442 4.120 0.001 0.000 0.305 152 V C -0.403 175.695 176.094 0.006 0.000 1.043 152 V CA -0.724 61.580 62.300 0.007 0.000 0.888 152 V CB 1.819 33.616 31.823 -0.042 0.000 0.995 152 V HN 0.897 nan 8.190 nan 0.000 0.429 153 S N 3.009 118.766 115.700 0.095 0.000 2.541 153 S HA 0.838 5.309 4.470 0.001 0.000 0.280 153 S C -1.122 173.511 174.600 0.054 0.000 1.112 153 S CA -0.806 57.494 58.200 0.166 0.000 0.925 153 S CB 2.007 65.464 63.200 0.428 0.000 1.067 153 S HN 0.776 nan 8.310 nan 0.000 0.479 154 V N 2.286 122.205 119.914 0.008 0.000 2.656 154 V HA 0.505 4.625 4.120 0.001 0.000 0.307 154 V C -0.619 175.584 176.094 0.182 0.000 1.051 154 V CA -0.853 61.417 62.300 -0.049 0.000 0.893 154 V CB 1.607 33.236 31.823 -0.323 0.000 0.999 154 V HN 1.077 nan 8.190 nan 0.000 0.426 155 N N 4.175 123.053 118.700 0.298 0.000 2.513 155 N HA 0.565 5.305 4.740 0.001 0.000 0.274 155 N C -1.656 174.090 175.510 0.394 0.000 1.189 155 N CA -0.127 53.166 53.050 0.404 0.000 0.975 155 N CB 1.017 39.676 38.487 0.288 0.000 1.157 155 N HN 0.737 nan 8.380 nan 0.000 0.465 156 Y N -1.919 118.509 120.300 0.214 0.000 2.571 156 Y HA 0.459 5.009 4.550 0.001 0.000 0.341 156 Y C -0.868 175.144 175.900 0.188 0.000 1.076 156 Y CA -1.403 56.774 58.100 0.128 0.000 1.029 156 Y CB 0.654 39.110 38.460 -0.007 0.000 1.308 156 Y HN 0.231 nan 8.280 nan 0.000 0.461 157 R N 1.947 122.584 120.500 0.229 0.000 2.491 157 R HA 0.546 4.886 4.340 0.001 0.000 0.283 157 R C -0.374 176.100 176.300 0.289 0.000 1.072 157 R CA -0.346 55.854 56.100 0.167 0.000 1.048 157 R CB 1.022 31.406 30.300 0.141 0.000 0.983 157 R HN 0.702 nan 8.270 nan 0.000 0.450 158 V N -0.527 119.574 119.914 0.311 0.000 3.113 158 V HA 0.698 4.818 4.120 0.001 0.000 0.316 158 V C 0.674 177.096 176.094 0.548 0.000 1.125 158 V CA -0.599 62.005 62.300 0.508 0.000 1.026 158 V CB 1.621 33.663 31.823 0.364 0.000 1.080 158 V HN 1.010 nan 8.190 nan 0.000 0.444 159 S N 0.947 116.969 115.700 0.537 0.000 3.426 159 S HA -0.277 4.194 4.470 0.001 0.000 0.630 159 S C 1.639 176.039 174.600 -0.334 0.000 2.670 159 S CA 2.223 60.516 58.200 0.153 0.000 3.374 159 S CB -1.835 61.555 63.200 0.316 0.000 0.296 159 S HN 2.760 nan 8.310 nan 0.000 1.445 160 S N 0.894 116.003 115.700 -0.985 0.000 2.383 160 S HA -0.130 4.340 4.470 0.001 0.000 0.229 160 S C 1.848 176.372 174.600 -0.126 0.000 1.030 160 S CA 1.715 59.423 58.200 -0.821 0.000 1.002 160 S CB -0.933 61.747 63.200 -0.866 0.000 0.829 160 S HN 0.682 nan 8.310 nan 0.000 0.467 161 W N 1.730 123.093 121.300 0.106 0.000 2.350 161 W HA 0.112 4.772 4.660 0.001 0.000 0.289 161 W C 2.384 178.981 176.519 0.131 0.000 1.215 161 W CA 0.908 58.352 57.345 0.164 0.000 1.236 161 W CB -0.937 28.543 29.460 0.033 0.000 1.130 161 W HN 0.624 nan 8.180 nan 0.000 0.541 162 G N -2.614 106.358 108.800 0.286 0.000 2.833 162 G HA2 0.117 4.077 3.960 0.001 0.000 0.214 162 G HA3 0.117 4.077 3.960 0.001 0.000 0.214 162 G C 0.253 174.867 174.900 -0.477 0.000 1.075 162 G CA -0.073 44.997 45.100 -0.049 0.000 0.799 162 G HN 0.058 nan 8.290 nan 0.000 0.541 163 F N 0.472 120.563 119.950 0.235 0.000 2.790 163 F HA 0.462 4.989 4.527 0.001 0.000 0.371 163 F C -0.045 175.897 175.800 0.236 0.000 1.293 163 F CA -0.973 57.153 58.000 0.211 0.000 1.205 163 F CB 0.812 39.943 39.000 0.218 0.000 1.047 163 F HN -0.104 nan 8.300 nan 0.000 0.510 164 L N 1.616 122.984 121.223 0.242 0.000 2.426 164 L HA 0.671 5.012 4.340 0.001 0.000 0.271 164 L C 0.209 177.145 176.870 0.110 0.000 1.169 164 L CA 0.188 55.132 54.840 0.173 0.000 0.836 164 L CB 0.410 42.408 42.059 -0.101 0.000 1.112 164 L HN 0.264 nan 8.230 nan 0.000 0.465 165 A N 2.391 125.262 122.820 0.086 0.000 2.686 165 A HA 1.001 5.322 4.320 0.001 0.000 0.263 165 A C -0.002 177.491 177.584 -0.153 0.000 1.264 165 A CA -0.162 51.866 52.037 -0.016 0.000 0.799 165 A CB 0.577 19.587 19.000 0.016 0.000 1.363 165 A HN 1.707 nan 8.150 nan 0.000 0.507 166 G N -1.336 107.360 108.800 -0.174 0.000 2.525 166 G HA2 0.105 4.065 3.960 0.001 0.000 0.685 166 G HA3 0.105 4.065 3.960 0.001 0.000 0.685 166 G C -0.248 174.469 174.900 -0.305 0.000 1.290 166 G CA 0.308 45.245 45.100 -0.271 0.000 0.915 166 G HN 0.607 nan 8.290 nan 0.000 0.548 167 D N 0.186 120.416 120.400 -0.283 0.000 2.123 167 D HA -0.056 4.585 4.640 0.001 0.000 0.196 167 D C 2.263 178.414 176.300 -0.248 0.000 0.992 167 D CA 1.939 55.813 54.000 -0.210 0.000 0.833 167 D CB -0.041 40.673 40.800 -0.143 0.000 0.954 167 D HN 0.590 nan 8.370 nan 0.000 0.455 168 E N 0.391 120.351 120.200 -0.400 0.000 2.051 168 E HA -0.092 4.259 4.350 0.001 0.000 0.192 168 E C 2.223 178.670 176.600 -0.255 0.000 0.991 168 E CA 0.338 56.543 56.400 -0.325 0.000 0.799 168 E CB -0.089 29.367 29.700 -0.408 0.000 0.748 168 E HN 0.211 nan 8.360 nan 0.000 0.449 169 I N 1.072 121.441 120.570 -0.336 0.000 2.226 169 I HA -0.236 3.935 4.170 0.001 0.000 0.245 169 I C 2.218 178.268 176.117 -0.112 0.000 1.100 169 I CA 1.266 62.455 61.300 -0.185 0.000 1.374 169 I CB -0.766 37.122 38.000 -0.186 0.000 1.057 169 I HN 0.092 nan 8.210 nan 0.000 0.413 170 K N 2.058 122.379 120.400 -0.131 0.000 2.002 170 K HA -0.107 4.213 4.320 0.001 0.000 0.209 170 K C 2.114 178.674 176.600 -0.067 0.000 1.048 170 K CA 2.027 58.262 56.287 -0.086 0.000 0.930 170 K CB -0.514 31.931 32.500 -0.091 0.000 0.714 170 K HN 0.171 nan 8.250 nan 0.000 0.438 171 A N 0.630 123.404 122.820 -0.077 0.000 1.978 171 A HA -0.200 4.120 4.320 0.001 0.000 0.220 171 A C 2.119 179.682 177.584 -0.035 0.000 1.170 171 A CA 1.967 53.972 52.037 -0.054 0.000 0.636 171 A CB -0.597 18.368 19.000 -0.058 0.000 0.810 171 A HN 0.663 nan 8.150 nan 0.000 0.448 172 E N -1.430 118.749 120.200 -0.035 0.000 2.318 172 E HA 0.208 4.559 4.350 0.001 0.000 0.193 172 E C 1.093 177.695 176.600 0.003 0.000 0.998 172 E CA 0.604 56.999 56.400 -0.008 0.000 0.859 172 E CB -0.135 29.567 29.700 0.003 0.000 0.812 172 E HN 0.720 nan 8.360 nan 0.000 0.492 173 G N 0.696 109.491 108.800 -0.007 0.000 2.137 173 G HA2 -0.228 3.732 3.960 0.001 0.000 0.237 173 G HA3 -0.228 3.732 3.960 0.001 0.000 0.237 173 G C 0.513 175.426 174.900 0.023 0.000 1.002 173 G CA 0.533 45.634 45.100 0.001 0.000 0.702 173 G HN 0.244 nan 8.290 nan 0.000 0.515 174 S N 0.047 115.762 115.700 0.025 0.000 2.573 174 S HA 0.622 5.092 4.470 0.001 0.000 0.244 174 S C 1.152 175.782 174.600 0.051 0.000 0.984 174 S CA 0.465 58.698 58.200 0.055 0.000 1.001 174 S CB 0.518 63.768 63.200 0.082 0.000 0.788 174 S HN 1.410 nan 8.310 nan 0.000 0.456 175 A N 2.237 125.076 122.820 0.032 0.000 2.407 175 A HA 0.454 4.774 4.320 0.001 0.000 0.248 175 A C 0.664 178.291 177.584 0.073 0.000 1.082 175 A CA -0.438 51.622 52.037 0.037 0.000 0.785 175 A CB -0.038 18.968 19.000 0.009 0.000 1.020 175 A HN 0.469 nan 8.150 nan 0.000 0.489 176 N N -0.279 118.469 118.700 0.080 0.000 2.714 176 N HA -0.232 4.509 4.740 0.001 0.000 0.253 176 N C 0.980 176.457 175.510 -0.056 0.000 1.024 176 N CA 0.927 54.021 53.050 0.074 0.000 0.726 176 N CB -1.458 37.185 38.487 0.260 0.000 0.908 176 N HN 0.986 nan 8.380 nan 0.000 0.542 177 A N 0.226 122.951 122.820 -0.158 0.000 1.908 177 A HA -0.044 4.276 4.320 0.001 0.000 0.218 177 A C 2.299 179.788 177.584 -0.158 0.000 1.181 177 A CA 2.231 54.215 52.037 -0.089 0.000 0.627 177 A CB -0.774 18.213 19.000 -0.022 0.000 0.818 177 A HN 0.563 nan 8.150 nan 0.000 0.445 178 G N -0.399 108.108 108.800 -0.487 0.000 2.442 178 G HA2 -0.156 3.804 3.960 0.001 0.000 0.219 178 G HA3 -0.156 3.804 3.960 0.001 0.000 0.219 178 G C 1.523 176.399 174.900 -0.039 0.000 1.141 178 G CA 1.047 46.012 45.100 -0.225 0.000 0.763 178 G HN 0.452 nan 8.290 nan 0.000 0.554 179 L N -0.414 120.784 121.223 -0.041 0.000 2.156 179 L HA 0.041 4.381 4.340 0.001 0.000 0.208 179 L C 2.882 179.657 176.870 -0.158 0.000 1.095 179 L CA 0.914 55.710 54.840 -0.073 0.000 0.770 179 L CB -0.194 41.866 42.059 0.002 0.000 0.914 179 L HN 0.165 nan 8.230 nan 0.000 0.439 180 K N -0.162 120.220 120.400 -0.030 0.000 2.148 180 K HA -0.142 4.179 4.320 0.001 0.000 0.204 180 K C 1.601 178.216 176.600 0.024 0.000 1.050 180 K CA 1.155 57.450 56.287 0.014 0.000 0.942 180 K CB -0.075 32.513 32.500 0.146 0.000 0.724 180 K HN 0.245 nan 8.250 nan 0.000 0.446 181 D N 1.155 121.593 120.400 0.063 0.000 2.097 181 D HA -0.160 4.480 4.640 0.001 0.000 0.195 181 D C 1.962 178.327 176.300 0.109 0.000 0.989 181 D CA 1.256 55.367 54.000 0.184 0.000 0.827 181 D CB -0.185 40.761 40.800 0.243 0.000 0.966 181 D HN 0.251 nan 8.370 nan 0.000 0.456 182 Q N 0.102 119.866 119.800 -0.059 0.000 2.096 182 Q HA -0.170 4.171 4.340 0.001 0.000 0.204 182 Q C 2.249 178.044 176.000 -0.343 0.000 0.982 182 Q CA 1.177 56.832 55.803 -0.247 0.000 0.850 182 Q CB -0.052 28.506 28.738 -0.299 0.000 0.901 182 Q HN 0.021 nan 8.270 nan 0.000 0.422 183 R N 0.699 121.025 120.500 -0.289 0.000 2.081 183 R HA -0.136 4.204 4.340 0.001 0.000 0.235 183 R C 1.986 178.149 176.300 -0.228 0.000 1.131 183 R CA 0.938 56.834 56.100 -0.340 0.000 0.960 183 R CB -0.544 29.536 30.300 -0.366 0.000 0.856 183 R HN 0.241 nan 8.270 nan 0.000 0.436 184 L N -0.297 120.872 121.223 -0.090 0.000 2.046 184 L HA 0.060 4.400 4.340 0.001 0.000 0.208 184 L C 2.043 178.861 176.870 -0.086 0.000 1.077 184 L CA 2.310 57.159 54.840 0.016 0.000 0.747 184 L CB -1.091 41.122 42.059 0.256 0.000 0.896 184 L HN 0.299 nan 8.230 nan 0.000 0.432 185 G N -0.891 107.689 108.800 -0.367 0.000 2.422 185 G HA2 -0.301 3.660 3.960 0.001 0.000 0.218 185 G HA3 -0.301 3.660 3.960 0.001 0.000 0.218 185 G C 1.586 176.294 174.900 -0.319 0.000 1.146 185 G CA 1.063 45.730 45.100 -0.721 0.000 0.769 185 G HN 0.404 nan 8.290 nan 0.000 0.547 186 M N -0.183 119.241 119.600 -0.292 0.000 2.175 186 M HA -0.069 4.411 4.480 0.001 0.000 0.264 186 M C 2.800 178.995 176.300 -0.176 0.000 1.063 186 M CA 1.294 56.467 55.300 -0.212 0.000 1.119 186 M CB -0.135 32.317 32.600 -0.246 0.000 1.377 186 M HN 0.265 nan 8.290 nan 0.000 0.415 187 Q N -1.418 118.212 119.800 -0.283 0.000 2.119 187 Q HA -0.219 4.122 4.340 0.001 0.000 0.201 187 Q C 1.774 177.686 176.000 -0.146 0.000 0.972 187 Q CA 1.542 57.033 55.803 -0.521 0.000 0.847 187 Q CB -0.230 28.015 28.738 -0.822 0.000 0.903 187 Q HN 0.656 nan 8.270 nan 0.000 0.433 188 W N 0.469 121.655 121.300 -0.190 0.000 2.363 188 W HA -0.189 4.471 4.660 0.001 0.000 0.296 188 W C 1.757 178.236 176.519 -0.066 0.000 1.212 188 W CA 1.091 58.389 57.345 -0.078 0.000 1.260 188 W CB 0.046 29.451 29.460 -0.091 0.000 1.131 188 W HN -0.165 nan 8.180 nan 0.000 0.530 189 V N 1.188 121.266 119.914 0.273 0.000 2.307 189 V HA -0.300 3.820 4.120 0.001 0.000 0.245 189 V C 2.523 178.629 176.094 0.019 0.000 1.045 189 V CA 2.140 64.539 62.300 0.166 0.000 1.024 189 V CB -1.658 30.227 31.823 0.104 0.000 0.651 189 V HN 0.321 nan 8.190 nan 0.000 0.449 190 A N -0.183 122.655 122.820 0.030 0.000 1.908 190 A HA -0.276 4.044 4.320 0.001 0.000 0.218 190 A C 1.981 179.594 177.584 0.048 0.000 1.181 190 A CA 2.232 54.315 52.037 0.076 0.000 0.627 190 A CB -0.579 18.545 19.000 0.206 0.000 0.818 190 A HN 0.556 nan 8.150 nan 0.000 0.445 191 D N -0.736 119.671 120.400 0.012 0.000 2.194 191 D HA -0.028 4.613 4.640 0.001 0.000 0.204 191 D C 1.281 177.446 176.300 -0.226 0.000 0.964 191 D CA 0.897 54.858 54.000 -0.065 0.000 0.846 191 D CB -0.141 40.633 40.800 -0.043 0.000 0.962 191 D HN 0.529 nan 8.370 nan 0.000 0.490 192 N N -0.225 118.228 118.700 -0.411 0.000 2.210 192 N HA 0.027 4.767 4.740 0.001 0.000 0.203 192 N C 1.535 176.935 175.510 -0.184 0.000 1.175 192 N CA -0.153 52.601 53.050 -0.494 0.000 0.894 192 N CB 1.063 38.827 38.487 -1.204 0.000 1.041 192 N HN 0.026 nan 8.380 nan 0.000 0.506 193 I N 2.537 123.062 120.570 -0.076 0.000 2.361 193 I HA -0.148 4.022 4.170 0.001 0.000 0.251 193 I C 2.237 178.442 176.117 0.146 0.000 1.133 193 I CA 0.686 62.059 61.300 0.121 0.000 1.413 193 I CB -0.217 37.822 38.000 0.066 0.000 1.073 193 I HN 0.057 nan 8.210 nan 0.000 0.424 194 A N 0.220 123.060 122.820 0.034 0.000 1.978 194 A HA -0.162 4.158 4.320 0.001 0.000 0.220 194 A C 2.468 180.039 177.584 -0.022 0.000 1.170 194 A CA 1.700 53.742 52.037 0.008 0.000 0.636 194 A CB -1.097 17.888 19.000 -0.025 0.000 0.810 194 A HN 0.484 nan 8.150 nan 0.000 0.448 195 A N -1.593 121.174 122.820 -0.089 0.000 2.067 195 A HA 0.102 4.422 4.320 0.001 0.000 0.219 195 A C 1.611 178.969 177.584 -0.377 0.000 1.158 195 A CA 1.198 53.072 52.037 -0.273 0.000 0.661 195 A CB -0.593 18.138 19.000 -0.449 0.000 0.801 195 A HN 0.504 nan 8.150 nan 0.000 0.452 196 F N -1.500 118.372 119.950 -0.131 0.000 2.749 196 F HA 0.379 4.907 4.527 0.001 0.000 0.300 196 F C 1.785 177.567 175.800 -0.029 0.000 1.103 196 F CA 0.639 58.566 58.000 -0.123 0.000 1.342 196 F CB 0.421 39.333 39.000 -0.147 0.000 1.098 196 F HN 0.330 nan 8.300 nan 0.000 0.586 197 G N 0.072 108.949 108.800 0.129 0.000 2.168 197 G HA2 -0.110 3.851 3.960 0.001 0.000 0.197 197 G HA3 -0.110 3.851 3.960 0.001 0.000 0.197 197 G C 0.487 175.439 174.900 0.087 0.000 0.997 197 G CA -0.395 44.760 45.100 0.092 0.000 0.658 197 G HN 0.687 nan 8.290 nan 0.000 0.513 198 G N -0.640 108.220 108.800 0.101 0.000 2.437 198 G HA2 0.519 4.479 3.960 0.001 0.000 0.319 198 G HA3 0.519 4.479 3.960 0.001 0.000 0.319 198 G C -1.117 173.810 174.900 0.045 0.000 1.158 198 G CA 0.045 45.187 45.100 0.071 0.000 0.899 198 G HN 0.152 nan 8.290 nan 0.000 0.502 199 D N 0.916 121.335 120.400 0.031 0.000 2.373 199 D HA 0.279 4.919 4.640 0.001 0.000 0.227 199 D C -1.184 175.127 176.300 0.018 0.000 1.091 199 D CA -2.174 51.836 54.000 0.018 0.000 0.840 199 D CB 2.227 43.033 40.800 0.009 0.000 1.060 199 D HN 0.046 nan 8.370 nan 0.000 0.502 200 P HA -0.114 nan 4.420 nan 0.000 0.225 200 P C 0.952 178.264 177.300 0.019 0.000 1.148 200 P CA 0.961 64.074 63.100 0.022 0.000 0.779 200 P CB 0.053 31.765 31.700 0.020 0.000 0.780 201 T N -4.176 110.382 114.554 0.008 0.000 3.107 201 T HA 0.155 4.506 4.350 0.001 0.000 0.249 201 T C 1.067 175.765 174.700 -0.004 0.000 1.096 201 T CA 0.067 62.166 62.100 -0.001 0.000 1.012 201 T CB -0.318 68.545 68.868 -0.009 0.000 0.977 201 T HN 0.078 nan 8.240 nan 0.000 0.527 202 K N 1.778 122.178 120.400 0.000 0.000 3.167 202 K HA 0.405 4.726 4.320 0.001 0.000 0.208 202 K C -0.969 175.632 176.600 0.001 0.000 1.159 202 K CA -0.280 56.001 56.287 -0.010 0.000 1.018 202 K CB 1.350 33.840 32.500 -0.017 0.000 0.927 202 K HN 0.195 nan 8.250 nan 0.000 0.476 203 V N 1.319 121.250 119.914 0.028 0.000 2.432 203 V HA 0.194 4.314 4.120 0.001 0.000 0.275 203 V C 0.280 176.420 176.094 0.076 0.000 1.043 203 V CA -0.232 62.099 62.300 0.052 0.000 0.925 203 V CB 1.505 33.377 31.823 0.082 0.000 0.985 203 V HN 0.230 nan 8.190 nan 0.000 0.466 204 T N 6.486 121.061 114.554 0.036 0.000 2.786 204 T HA 0.571 4.921 4.350 0.001 0.000 0.283 204 T C -0.151 174.577 174.700 0.046 0.000 0.992 204 T CA -0.202 61.917 62.100 0.032 0.000 0.954 204 T CB 0.768 69.613 68.868 -0.038 0.000 0.934 204 T HN 0.616 nan 8.240 nan 0.000 0.440 205 I N 2.009 122.576 120.570 -0.006 0.000 2.440 205 I HA 0.884 5.054 4.170 0.001 0.000 0.294 205 I C -0.808 175.367 176.117 0.096 0.000 0.995 205 I CA -0.880 60.385 61.300 -0.059 0.000 1.306 205 I CB 0.892 38.641 38.000 -0.418 0.000 1.407 205 I HN 0.521 nan 8.210 nan 0.000 0.501 206 F N 3.067 122.909 119.950 -0.180 0.000 2.654 206 F HA 0.983 5.510 4.527 0.001 0.000 0.308 206 F C -0.544 175.110 175.800 -0.244 0.000 1.108 206 F CA -0.969 56.952 58.000 -0.132 0.000 0.957 206 F CB 1.269 40.265 39.000 -0.006 0.000 1.309 206 F HN 0.860 nan 8.300 nan 0.000 0.446 207 G N 0.951 109.514 108.800 -0.396 0.000 2.559 207 G HA2 0.497 4.457 3.960 0.001 0.000 0.291 207 G HA3 0.497 4.457 3.960 0.001 0.000 0.291 207 G C -2.541 172.107 174.900 -0.421 0.000 1.424 207 G CA -0.786 43.746 45.100 -0.947 0.000 0.786 207 G HN 0.872 nan 8.290 nan 0.000 0.485 208 E N 0.197 120.133 120.200 -0.439 0.000 2.238 208 E HA 0.611 4.961 4.350 0.001 0.000 0.267 208 E C 0.788 177.349 176.600 -0.063 0.000 0.887 208 E CA 0.285 56.666 56.400 -0.031 0.000 0.769 208 E CB 2.123 31.965 29.700 0.237 0.000 1.187 208 E HN 0.846 nan 8.360 nan 0.000 0.416 209 S N 3.074 118.809 115.700 0.058 0.000 4.150 209 S HA -0.418 4.053 4.470 0.001 0.000 0.541 209 S C 1.564 176.106 174.600 -0.097 0.000 1.860 209 S CA 2.687 60.960 58.200 0.122 0.000 4.226 209 S CB -1.591 61.727 63.200 0.198 0.000 0.445 209 S HN 0.976 nan 8.310 nan 0.000 0.470 210 A N 1.031 123.669 122.820 -0.303 0.000 1.978 210 A HA 0.107 4.428 4.320 0.001 0.000 0.220 210 A C 2.463 179.712 177.584 -0.559 0.000 1.170 210 A CA 2.494 54.057 52.037 -0.790 0.000 0.636 210 A CB -1.532 16.704 19.000 -1.273 0.000 0.810 210 A HN 1.535 nan 8.150 nan 0.000 0.448 211 G N -1.452 107.085 108.800 -0.439 0.000 2.421 211 G HA2 -0.069 3.892 3.960 0.001 0.000 0.217 211 G HA3 -0.069 3.892 3.960 0.001 0.000 0.217 211 G C 1.841 176.495 174.900 -0.410 0.000 1.143 211 G CA 1.247 46.032 45.100 -0.524 0.000 0.784 211 G HN 0.542 nan 8.290 nan 0.000 0.541 212 S N -0.005 115.526 115.700 -0.281 0.000 2.371 212 S HA -0.032 4.439 4.470 0.001 0.000 0.224 212 S C 2.491 176.978 174.600 -0.188 0.000 1.029 212 S CA 1.216 59.299 58.200 -0.195 0.000 0.978 212 S CB -0.269 62.884 63.200 -0.078 0.000 0.833 212 S HN 0.352 nan 8.310 nan 0.000 0.466 213 M N 0.797 120.313 119.600 -0.140 0.000 2.159 213 M HA -0.061 4.420 4.480 0.001 0.000 0.263 213 M C 2.380 178.614 176.300 -0.109 0.000 1.063 213 M CA 1.192 56.433 55.300 -0.098 0.000 1.110 213 M CB -0.451 32.170 32.600 0.035 0.000 1.374 213 M HN 0.248 nan 8.290 nan 0.000 0.411 214 S N 0.271 115.899 115.700 -0.121 0.000 2.359 214 S HA -0.122 4.348 4.470 0.001 0.000 0.224 214 S C 1.975 176.441 174.600 -0.223 0.000 1.035 214 S CA 1.341 59.427 58.200 -0.190 0.000 1.018 214 S CB -0.402 62.628 63.200 -0.284 0.000 0.876 214 S HN 0.262 nan 8.310 nan 0.000 0.448 215 V N 1.751 121.534 119.914 -0.219 0.000 2.332 215 V HA -0.229 3.891 4.120 0.001 0.000 0.248 215 V C 2.344 178.308 176.094 -0.217 0.000 1.055 215 V CA 2.112 64.278 62.300 -0.224 0.000 1.038 215 V CB -0.606 31.061 31.823 -0.261 0.000 0.651 215 V HN 0.442 nan 8.190 nan 0.000 0.450 216 M N -0.036 119.415 119.600 -0.248 0.000 2.080 216 M HA -0.184 4.296 4.480 0.001 0.000 0.260 216 M C 2.141 178.350 176.300 -0.153 0.000 1.068 216 M CA 2.035 57.172 55.300 -0.272 0.000 1.109 216 M CB -1.039 31.355 32.600 -0.343 0.000 1.342 216 M HN 0.409 nan 8.290 nan 0.000 0.405 217 C N -0.179 119.021 119.300 -0.166 0.000 2.422 217 C HA -0.154 4.307 4.460 0.001 0.000 0.279 217 C C 2.635 177.588 174.990 -0.061 0.000 1.305 217 C CA 0.879 59.833 59.018 -0.108 0.000 1.757 217 C CB -1.760 25.879 27.740 -0.168 0.000 1.962 217 C HN 0.553 nan 8.230 nan 0.000 0.499 218 H N -0.047 119.014 119.070 -0.015 0.000 2.462 218 H HA 0.101 4.657 4.556 0.001 0.000 0.292 218 H C 2.188 177.660 175.328 0.240 0.000 1.049 218 H CA 1.130 57.178 56.048 -0.000 0.000 1.334 218 H CB -0.171 29.411 29.762 -0.300 0.000 1.404 218 H HN 0.500 nan 8.280 nan 0.000 0.544 219 I N 0.387 121.107 120.570 0.249 0.000 2.439 219 I HA -0.186 3.984 4.170 0.001 0.000 0.251 219 I C 1.849 178.187 176.117 0.368 0.000 1.139 219 I CA 0.773 62.286 61.300 0.355 0.000 1.438 219 I CB 0.059 38.171 38.000 0.186 0.000 1.085 219 I HN 0.113 nan 8.210 nan 0.000 0.427 220 L N -0.867 120.525 121.223 0.281 0.000 2.477 220 L HA -0.004 4.337 4.340 0.001 0.000 0.220 220 L C 1.091 178.118 176.870 0.262 0.000 1.106 220 L CA -0.225 54.770 54.840 0.258 0.000 0.851 220 L CB -0.306 41.852 42.059 0.164 0.000 0.994 220 L HN 0.337 nan 8.230 nan 0.000 0.462 221 W N 3.038 124.394 121.300 0.094 0.000 2.314 221 W HA -0.154 4.506 4.660 0.001 0.000 0.339 221 W C 0.401 176.977 176.519 0.095 0.000 1.293 221 W CA 0.512 57.907 57.345 0.083 0.000 1.288 221 W CB 0.274 29.810 29.460 0.126 0.000 1.186 221 W HN 0.341 nan 8.180 nan 0.000 0.566 222 N N 3.920 122.522 118.700 -0.164 0.000 2.727 222 N HA -0.249 4.491 4.740 0.001 0.000 0.249 222 N C -0.154 175.368 175.510 0.020 0.000 1.048 222 N CA 1.952 54.957 53.050 -0.075 0.000 0.714 222 N CB -1.463 37.086 38.487 0.104 0.000 0.959 222 N HN 0.457 nan 8.380 nan 0.000 0.544 223 D N -1.978 118.425 120.400 0.006 0.000 2.882 223 D HA -0.194 4.446 4.640 0.001 0.000 0.229 223 D C 1.168 177.507 176.300 0.065 0.000 1.167 223 D CA 2.466 56.480 54.000 0.024 0.000 0.759 223 D CB -1.361 39.432 40.800 -0.012 0.000 1.088 223 D HN 0.907 nan 8.370 nan 0.000 0.425 224 G N -0.037 108.849 108.800 0.143 0.000 2.176 224 G HA2 -0.281 3.680 3.960 0.001 0.000 0.232 224 G HA3 -0.281 3.680 3.960 0.001 0.000 0.232 224 G C -0.127 174.864 174.900 0.151 0.000 0.986 224 G CA 0.158 45.367 45.100 0.181 0.000 0.643 224 G HN 0.546 nan 8.290 nan 0.000 0.522 225 D N 1.384 121.866 120.400 0.135 0.000 2.393 225 D HA 0.378 5.018 4.640 0.001 0.000 0.232 225 D C 1.226 177.612 176.300 0.143 0.000 1.192 225 D CA -0.229 53.836 54.000 0.107 0.000 0.882 225 D CB 0.079 40.932 40.800 0.088 0.000 1.038 225 D HN 0.277 nan 8.370 nan 0.000 0.499 226 N N 2.154 120.887 118.700 0.055 0.000 2.279 226 N HA -0.009 4.731 4.740 0.001 0.000 0.226 226 N C -0.359 175.107 175.510 -0.073 0.000 1.126 226 N CA -0.440 52.590 53.050 -0.034 0.000 0.846 226 N CB -0.095 38.171 38.487 -0.368 0.000 1.050 226 N HN 0.311 nan 8.380 nan 0.000 0.502 227 T N -2.200 112.366 114.554 0.019 0.000 2.922 227 T HA 0.361 4.711 4.350 0.001 0.000 0.285 227 T C -0.945 173.845 174.700 0.151 0.000 1.005 227 T CA -0.594 61.530 62.100 0.041 0.000 1.061 227 T CB 1.389 70.270 68.868 0.022 0.000 1.007 227 T HN 0.196 nan 8.240 nan 0.000 0.502 228 Y N 1.265 121.558 120.300 -0.012 0.000 2.332 228 Y HA 0.384 4.934 4.550 0.001 0.000 0.325 228 Y C 0.149 176.049 175.900 -0.001 0.000 1.054 228 Y CA -1.399 56.706 58.100 0.008 0.000 1.119 228 Y CB 0.956 39.421 38.460 0.009 0.000 1.168 228 Y HN 1.001 nan 8.280 nan 0.000 0.439 229 K N 4.648 124.832 120.400 -0.361 0.000 3.117 229 K HA -0.203 4.117 4.320 0.001 0.000 0.269 229 K C 0.854 177.354 176.600 -0.166 0.000 1.098 229 K CA 1.009 57.086 56.287 -0.351 0.000 0.785 229 K CB -1.589 30.574 32.500 -0.562 0.000 1.242 229 K HN 1.485 nan 8.250 nan 0.000 0.491 230 G N -0.264 108.483 108.800 -0.088 0.000 2.179 230 G HA2 -0.350 3.610 3.960 0.001 0.000 0.260 230 G HA3 -0.350 3.610 3.960 0.001 0.000 0.260 230 G C -0.195 174.683 174.900 -0.038 0.000 0.977 230 G CA 0.968 46.037 45.100 -0.052 0.000 0.641 230 G HN 0.366 nan 8.290 nan 0.000 0.533 231 K N 0.859 121.241 120.400 -0.030 0.000 2.426 231 K HA 0.580 4.901 4.320 0.001 0.000 0.251 231 K C -2.736 173.856 176.600 -0.015 0.000 0.941 231 K CA -2.204 54.070 56.287 -0.021 0.000 0.808 231 K CB 3.038 35.528 32.500 -0.016 0.000 1.265 231 K HN -0.008 nan 8.250 nan 0.000 0.432 232 P HA 0.040 nan 4.420 nan 0.000 0.271 232 P C 0.119 177.340 177.300 -0.132 0.000 1.218 232 P CA -0.118 62.899 63.100 -0.138 0.000 0.780 232 P CB 0.774 32.363 31.700 -0.184 0.000 0.901 233 L N 1.775 122.870 121.223 -0.213 0.000 2.395 233 L HA 0.034 4.374 4.340 0.001 0.000 0.218 233 L C 0.707 177.597 176.870 0.035 0.000 1.130 233 L CA 1.123 55.924 54.840 -0.065 0.000 0.826 233 L CB -0.505 41.567 42.059 0.022 0.000 0.941 233 L HN 0.441 nan 8.230 nan 0.000 0.451 234 F N -3.369 116.579 119.950 -0.004 0.000 2.678 234 F HA 0.391 4.918 4.527 0.001 0.000 0.308 234 F C 0.636 176.440 175.800 0.006 0.000 1.118 234 F CA -1.335 56.657 58.000 -0.013 0.000 0.959 234 F CB 0.870 39.852 39.000 -0.030 0.000 1.305 234 F HN -0.206 nan 8.300 nan 0.000 0.443 235 R N 1.434 122.024 120.500 0.150 0.000 2.365 235 R HA 0.826 5.167 4.340 0.001 0.000 0.223 235 R C -0.447 175.923 176.300 0.117 0.000 0.899 235 R CA 0.614 56.754 56.100 0.065 0.000 1.059 235 R CB 0.588 30.886 30.300 -0.003 0.000 1.086 235 R HN 1.017 nan 8.270 nan 0.000 0.522 236 A N -0.178 122.770 122.820 0.213 0.000 2.540 236 A HA 0.662 4.982 4.320 0.001 0.000 0.291 236 A C -1.334 176.386 177.584 0.226 0.000 1.083 236 A CA -0.342 51.815 52.037 0.200 0.000 0.650 236 A CB 1.152 20.116 19.000 -0.061 0.000 1.292 236 A HN 0.271 nan 8.150 nan 0.000 0.435 237 G N -0.646 108.306 108.800 0.253 0.000 2.718 237 G HA2 0.628 4.588 3.960 0.001 0.000 0.295 237 G HA3 0.628 4.588 3.960 0.001 0.000 0.295 237 G C -1.574 173.373 174.900 0.077 0.000 1.421 237 G CA -0.451 44.705 45.100 0.095 0.000 0.902 237 G HN 0.784 nan 8.290 nan 0.000 0.501 238 I N 1.087 121.649 120.570 -0.012 0.000 2.447 238 I HA 0.375 4.545 4.170 0.001 0.000 0.287 238 I C -0.370 175.712 176.117 -0.057 0.000 1.023 238 I CA -0.519 60.698 61.300 -0.139 0.000 1.083 238 I CB 2.199 39.974 38.000 -0.376 0.000 1.245 238 I HN 0.191 nan 8.210 nan 0.000 0.434 239 M N 6.131 125.698 119.600 -0.056 0.000 2.044 239 M HA 0.334 4.814 4.480 0.001 0.000 0.333 239 M C -0.757 175.601 176.300 0.095 0.000 1.004 239 M CA -0.328 54.950 55.300 -0.037 0.000 0.954 239 M CB 1.225 33.736 32.600 -0.149 0.000 1.468 239 M HN 0.454 nan 8.290 nan 0.000 0.414 240 Q N 2.096 122.002 119.800 0.176 0.000 2.456 240 Q HA 0.343 4.683 4.340 0.001 0.000 0.234 240 Q C -0.462 175.650 176.000 0.188 0.000 1.061 240 Q CA -0.369 55.623 55.803 0.315 0.000 0.896 240 Q CB 0.783 29.762 28.738 0.401 0.000 1.233 240 Q HN 0.795 nan 8.270 nan 0.000 0.506 241 S N 1.415 117.204 115.700 0.148 0.000 3.734 241 S HA -0.010 4.460 4.470 0.001 0.000 0.531 241 S C -0.046 174.752 174.600 0.329 0.000 0.757 241 S CA 0.290 58.600 58.200 0.185 0.000 1.388 241 S CB -1.216 62.045 63.200 0.101 0.000 0.878 241 S HN 1.119 nan 8.310 nan 0.000 0.735 242 G N -0.442 108.505 108.800 0.246 0.000 2.350 242 G HA2 0.616 4.577 3.960 0.001 0.000 0.274 242 G HA3 0.616 4.577 3.960 0.001 0.000 0.274 242 G C -0.438 174.423 174.900 -0.065 0.000 1.621 242 G CA 0.183 45.363 45.100 0.133 0.000 0.935 242 G HN 1.358 nan 8.290 nan 0.000 0.694 243 A N 2.218 124.960 122.820 -0.130 0.000 3.474 243 A HA 0.964 5.285 4.320 0.001 0.000 0.187 243 A C 0.581 177.997 177.584 -0.280 0.000 1.195 243 A CA -0.159 51.713 52.037 -0.274 0.000 1.405 243 A CB -0.137 18.707 19.000 -0.260 0.000 1.629 243 A HN 1.019 nan 8.150 nan 0.000 0.632 244 M N 0.768 120.164 119.600 -0.340 0.000 2.245 244 M HA 0.333 4.813 4.480 0.001 0.000 0.330 244 M C -0.408 175.766 176.300 -0.210 0.000 1.098 244 M CA 0.398 55.491 55.300 -0.345 0.000 1.172 244 M CB 0.601 32.806 32.600 -0.658 0.000 1.467 244 M HN 0.177 nan 8.290 nan 0.000 0.454 245 V N 4.689 124.493 119.914 -0.184 0.000 2.432 245 V HA 0.302 4.422 4.120 0.001 0.000 0.275 245 V C -1.880 174.084 176.094 -0.217 0.000 1.043 245 V CA -1.219 60.974 62.300 -0.180 0.000 0.925 245 V CB 0.938 32.618 31.823 -0.237 0.000 0.985 245 V HN 0.704 nan 8.190 nan 0.000 0.466 246 P HA 0.182 nan 4.420 nan 0.000 0.231 246 P C -0.372 176.421 177.300 -0.846 0.000 1.811 246 P CA 0.002 62.764 63.100 -0.564 0.000 1.051 246 P CB 0.181 31.863 31.700 -0.031 0.000 1.951 247 S N 0.732 115.883 115.700 -0.916 0.000 2.536 247 S HA 0.497 4.968 4.470 0.001 0.000 0.298 247 S C -0.283 174.121 174.600 -0.327 0.000 1.083 247 S CA -0.837 57.081 58.200 -0.470 0.000 0.995 247 S CB 1.521 64.563 63.200 -0.262 0.000 1.058 247 S HN -0.009 nan 8.310 nan 0.000 0.488 248 D N 1.308 121.708 120.400 0.001 0.000 2.384 248 D HA 0.510 5.150 4.640 0.001 0.000 0.244 248 D C 0.773 177.098 176.300 0.042 0.000 1.251 248 D CA -0.046 54.031 54.000 0.128 0.000 0.961 248 D CB 0.670 41.587 40.800 0.196 0.000 1.116 248 D HN 0.868 nan 8.370 nan 0.000 0.484 249 A N 0.250 123.099 122.820 0.048 0.000 2.492 249 A HA 0.007 4.327 4.320 0.001 0.000 0.236 249 A C 1.552 179.140 177.584 0.006 0.000 1.078 249 A CA -0.257 51.788 52.037 0.013 0.000 0.773 249 A CB 0.251 19.257 19.000 0.009 0.000 1.023 249 A HN 0.405 nan 8.150 nan 0.000 0.504 250 V N 0.533 120.439 119.914 -0.012 0.000 2.469 250 V HA -0.153 3.968 4.120 0.001 0.000 0.251 250 V C 1.409 177.483 176.094 -0.032 0.000 1.064 250 V CA 2.767 65.056 62.300 -0.018 0.000 1.066 250 V CB -0.741 31.066 31.823 -0.026 0.000 0.667 250 V HN 1.000 nan 8.190 nan 0.000 0.461 251 D N -0.742 119.639 120.400 -0.031 0.000 2.427 251 D HA 0.214 4.855 4.640 0.001 0.000 0.224 251 D C 0.828 177.125 176.300 -0.006 0.000 1.157 251 D CA 0.448 54.424 54.000 -0.040 0.000 0.828 251 D CB -0.285 40.485 40.800 -0.050 0.000 0.974 251 D HN 0.410 nan 8.370 nan 0.000 0.498 252 G N 0.440 109.253 108.800 0.022 0.000 2.570 252 G HA2 0.224 4.184 3.960 0.001 0.000 0.276 252 G HA3 0.224 4.184 3.960 0.001 0.000 0.276 252 G C 0.858 175.802 174.900 0.073 0.000 1.346 252 G CA -0.497 44.641 45.100 0.063 0.000 1.034 252 G HN 0.143 nan 8.290 nan 0.000 0.512 253 I N -1.368 119.268 120.570 0.109 0.000 2.127 253 I HA -0.165 4.006 4.170 0.001 0.000 0.241 253 I C 2.229 178.438 176.117 0.153 0.000 1.075 253 I CA 1.526 62.890 61.300 0.106 0.000 1.334 253 I CB -0.286 37.766 38.000 0.087 0.000 1.040 253 I HN 0.503 nan 8.210 nan 0.000 0.405 254 Y N 1.281 121.581 120.300 0.001 0.000 2.314 254 Y HA 0.087 4.638 4.550 0.001 0.000 0.293 254 Y C 2.379 178.270 175.900 -0.015 0.000 1.129 254 Y CA 1.024 59.113 58.100 -0.017 0.000 1.201 254 Y CB -0.958 37.484 38.460 -0.029 0.000 0.999 254 Y HN 0.224 nan 8.280 nan 0.000 0.541 255 G N -0.023 108.787 108.800 0.018 0.000 2.418 255 G HA2 -0.283 3.677 3.960 0.001 0.000 0.217 255 G HA3 -0.283 3.677 3.960 0.001 0.000 0.217 255 G C 1.706 176.578 174.900 -0.047 0.000 1.158 255 G CA 0.938 46.006 45.100 -0.054 0.000 0.771 255 G HN 0.331 nan 8.290 nan 0.000 0.545 256 N N 0.529 119.223 118.700 -0.010 0.000 2.216 256 N HA -0.048 4.692 4.740 0.001 0.000 0.183 256 N C 2.170 177.703 175.510 0.039 0.000 1.017 256 N CA 0.887 53.952 53.050 0.025 0.000 0.861 256 N CB -0.136 38.361 38.487 0.018 0.000 0.986 256 N HN 0.497 nan 8.380 nan 0.000 0.428 257 E N 0.707 120.898 120.200 -0.015 0.000 2.051 257 E HA -0.121 4.229 4.350 0.001 0.000 0.192 257 E C 1.909 178.433 176.600 -0.127 0.000 0.991 257 E CA 0.661 57.035 56.400 -0.043 0.000 0.799 257 E CB 0.045 29.754 29.700 0.016 0.000 0.748 257 E HN 0.220 nan 8.360 nan 0.000 0.449 258 I N 0.677 121.079 120.570 -0.281 0.000 2.226 258 I HA -0.239 3.932 4.170 0.001 0.000 0.245 258 I C 2.295 178.343 176.117 -0.115 0.000 1.100 258 I CA 1.160 62.284 61.300 -0.294 0.000 1.374 258 I CB -0.981 36.706 38.000 -0.522 0.000 1.057 258 I HN 0.094 nan 8.210 nan 0.000 0.413 259 F N 2.459 122.311 119.950 -0.164 0.000 2.069 259 F HA -0.262 4.266 4.527 0.001 0.000 0.298 259 F C 2.270 178.007 175.800 -0.105 0.000 1.113 259 F CA 1.894 59.820 58.000 -0.124 0.000 1.214 259 F CB -0.344 38.585 39.000 -0.119 0.000 0.978 259 F HN 0.110 nan 8.300 nan 0.000 0.474 260 D N 0.371 120.730 120.400 -0.069 0.000 2.144 260 D HA -0.176 4.465 4.640 0.001 0.000 0.199 260 D C 2.240 178.426 176.300 -0.189 0.000 0.984 260 D CA 1.391 55.308 54.000 -0.139 0.000 0.834 260 D CB -0.642 40.150 40.800 -0.014 0.000 0.955 260 D HN 0.345 nan 8.370 nan 0.000 0.465 261 L N 0.547 121.677 121.223 -0.155 0.000 2.027 261 L HA -0.089 4.251 4.340 0.001 0.000 0.206 261 L C 2.140 178.924 176.870 -0.143 0.000 1.074 261 L CA 1.268 56.027 54.840 -0.136 0.000 0.745 261 L CB -0.735 41.253 42.059 -0.117 0.000 0.898 261 L HN -0.009 nan 8.230 nan 0.000 0.433 262 L N 0.019 121.137 121.223 -0.175 0.000 2.042 262 L HA -0.119 4.222 4.340 0.001 0.000 0.210 262 L C 2.510 179.235 176.870 -0.242 0.000 1.076 262 L CA 2.120 56.855 54.840 -0.174 0.000 0.749 262 L CB -1.071 40.878 42.059 -0.184 0.000 0.893 262 L HN 0.311 nan 8.230 nan 0.000 0.432 263 A N -1.357 121.231 122.820 -0.387 0.000 1.883 263 A HA -0.214 4.106 4.320 0.001 0.000 0.217 263 A C 2.375 179.842 177.584 -0.195 0.000 1.186 263 A CA 2.145 53.963 52.037 -0.364 0.000 0.624 263 A CB -1.051 17.643 19.000 -0.510 0.000 0.822 263 A HN 0.550 nan 8.150 nan 0.000 0.444 264 S N 0.702 116.305 115.700 -0.161 0.000 2.368 264 S HA -0.169 4.301 4.470 0.001 0.000 0.225 264 S C 1.855 176.411 174.600 -0.074 0.000 1.030 264 S CA 1.413 59.554 58.200 -0.099 0.000 0.999 264 S CB -0.517 62.630 63.200 -0.088 0.000 0.844 264 S HN 0.669 nan 8.310 nan 0.000 0.459 265 N N 2.084 120.739 118.700 -0.074 0.000 2.149 265 N HA -0.008 4.732 4.740 0.001 0.000 0.188 265 N C 1.540 177.028 175.510 -0.037 0.000 1.019 265 N CA 1.285 54.310 53.050 -0.041 0.000 0.857 265 N CB -0.528 37.942 38.487 -0.029 0.000 0.997 265 N HN 0.465 nan 8.380 nan 0.000 0.426 266 A N -0.498 122.287 122.820 -0.059 0.000 2.208 266 A HA 0.397 4.717 4.320 0.001 0.000 0.209 266 A C 1.423 178.989 177.584 -0.028 0.000 1.161 266 A CA 0.902 52.915 52.037 -0.039 0.000 0.782 266 A CB -0.299 18.669 19.000 -0.052 0.000 0.816 266 A HN 0.340 nan 8.150 nan 0.000 0.477 267 G N -2.712 106.065 108.800 -0.038 0.000 2.131 267 G HA2 -0.241 3.719 3.960 0.001 0.000 0.223 267 G HA3 -0.241 3.719 3.960 0.001 0.000 0.223 267 G C 0.425 175.307 174.900 -0.030 0.000 0.990 267 G CA 0.144 45.228 45.100 -0.027 0.000 0.671 267 G HN 0.603 nan 8.290 nan 0.000 0.521 268 c N 0.902 119.470 118.600 -0.052 0.000 2.780 268 c HA 0.505 5.076 4.570 0.001 0.000 0.287 268 c C 2.637 176.692 174.090 -0.059 0.000 1.288 268 c CA 0.445 56.743 56.329 -0.052 0.000 1.713 268 c CB -0.730 41.737 42.510 -0.071 0.000 1.955 268 c HN 0.796 nan 8.230 nan 0.000 0.613 269 G N 1.601 110.366 108.800 -0.058 0.000 2.462 269 G HA2 -0.197 3.763 3.960 0.001 0.000 0.220 269 G HA3 -0.197 3.763 3.960 0.001 0.000 0.220 269 G C 1.600 176.483 174.900 -0.028 0.000 1.121 269 G CA 1.591 46.660 45.100 -0.052 0.000 0.758 269 G HN 0.659 nan 8.290 nan 0.000 0.559 270 S N -0.577 115.112 115.700 -0.018 0.000 2.540 270 S HA 0.644 5.115 4.470 0.001 0.000 0.218 270 S C 1.070 175.671 174.600 0.002 0.000 0.977 270 S CA 0.339 58.535 58.200 -0.007 0.000 0.918 270 S CB 0.386 63.583 63.200 -0.005 0.000 0.806 270 S HN 0.534 nan 8.310 nan 0.000 0.496 271 A N 2.140 124.962 122.820 0.003 0.000 2.425 271 A HA 0.548 4.868 4.320 0.001 0.000 0.249 271 A C 1.443 179.041 177.584 0.023 0.000 1.084 271 A CA 0.071 52.116 52.037 0.014 0.000 0.781 271 A CB 0.290 19.300 19.000 0.018 0.000 1.019 271 A HN 0.586 nan 8.150 nan 0.000 0.490 272 S N 0.546 116.261 115.700 0.025 0.000 2.428 272 S HA -0.051 4.420 4.470 0.001 0.000 0.230 272 S C 0.408 175.033 174.600 0.040 0.000 1.014 272 S CA 1.165 59.382 58.200 0.028 0.000 0.957 272 S CB -0.042 63.171 63.200 0.022 0.000 0.784 272 S HN 0.741 nan 8.310 nan 0.000 0.499 273 D N 0.870 121.298 120.400 0.047 0.000 2.438 273 D HA 0.360 5.000 4.640 0.001 0.000 0.257 273 D C 0.423 176.773 176.300 0.083 0.000 1.148 273 D CA -0.421 53.617 54.000 0.064 0.000 0.902 273 D CB 1.025 41.858 40.800 0.055 0.000 1.062 273 D HN 0.118 nan 8.370 nan 0.000 0.518 274 K N 1.756 122.226 120.400 0.116 0.000 2.147 274 K HA -0.121 4.199 4.320 0.001 0.000 0.205 274 K C 1.666 178.353 176.600 0.146 0.000 1.049 274 K CA 0.554 56.904 56.287 0.106 0.000 0.936 274 K CB 0.251 32.816 32.500 0.109 0.000 0.722 274 K HN 0.261 nan 8.250 nan 0.000 0.446 275 L N 1.172 122.537 121.223 0.238 0.000 2.017 275 L HA -0.138 4.202 4.340 0.001 0.000 0.208 275 L C 2.245 179.227 176.870 0.187 0.000 1.073 275 L CA 1.837 56.816 54.840 0.231 0.000 0.745 275 L CB -0.847 41.317 42.059 0.174 0.000 0.894 275 L HN 0.135 nan 8.230 nan 0.000 0.432 276 A N -1.913 120.988 122.820 0.135 0.000 1.969 276 A HA -0.258 4.063 4.320 0.001 0.000 0.218 276 A C 2.536 180.180 177.584 0.100 0.000 1.169 276 A CA 1.564 53.669 52.037 0.112 0.000 0.635 276 A CB -1.472 17.575 19.000 0.079 0.000 0.810 276 A HN 0.647 nan 8.150 nan 0.000 0.445 277 c N -0.631 118.019 118.600 0.084 0.000 2.446 277 c HA 0.014 4.585 4.570 0.001 0.000 0.277 277 c C 2.561 176.695 174.090 0.073 0.000 1.275 277 c CA 1.095 57.460 56.329 0.059 0.000 1.727 277 c CB -1.495 41.033 42.510 0.031 0.000 2.010 277 c HN 0.591 nan 8.230 nan 0.000 0.486 278 L N 0.194 121.477 121.223 0.101 0.000 2.141 278 L HA -0.074 4.266 4.340 0.001 0.000 0.209 278 L C 2.922 179.941 176.870 0.247 0.000 1.094 278 L CA 1.358 56.291 54.840 0.154 0.000 0.763 278 L CB -0.579 41.562 42.059 0.137 0.000 0.908 278 L HN 0.330 nan 8.230 nan 0.000 0.437 279 R N -0.465 120.179 120.500 0.239 0.000 2.189 279 R HA -0.056 4.284 4.340 0.001 0.000 0.218 279 R C 2.172 178.521 176.300 0.081 0.000 1.074 279 R CA 0.974 57.164 56.100 0.149 0.000 0.991 279 R CB -0.316 30.064 30.300 0.134 0.000 0.883 279 R HN 0.377 nan 8.270 nan 0.000 0.457 280 G N 0.732 109.580 108.800 0.080 0.000 2.683 280 G HA2 -0.001 3.959 3.960 0.001 0.000 0.213 280 G HA3 -0.001 3.959 3.960 0.001 0.000 0.213 280 G C 0.676 175.606 174.900 0.051 0.000 1.142 280 G CA 0.166 45.299 45.100 0.055 0.000 0.793 280 G HN 0.173 nan 8.290 nan 0.000 0.534 281 V N 0.432 120.382 119.914 0.059 0.000 3.051 281 V HA 0.567 4.687 4.120 0.001 0.000 0.306 281 V C 0.661 176.791 176.094 0.060 0.000 1.083 281 V CA -0.686 61.645 62.300 0.053 0.000 1.104 281 V CB 0.950 32.804 31.823 0.050 0.000 1.027 281 V HN 0.311 nan 8.190 nan 0.000 0.483 282 S N 2.594 118.328 115.700 0.056 0.000 2.596 282 S HA 0.163 4.633 4.470 0.001 0.000 0.260 282 S C 1.174 175.829 174.600 0.092 0.000 1.336 282 S CA 0.231 58.468 58.200 0.062 0.000 0.993 282 S CB 0.830 64.061 63.200 0.052 0.000 0.923 282 S HN 0.977 nan 8.310 nan 0.000 0.567 283 S N 1.170 116.931 115.700 0.101 0.000 2.382 283 S HA -0.122 4.348 4.470 0.001 0.000 0.228 283 S C 1.222 175.923 174.600 0.167 0.000 1.027 283 S CA 1.735 60.027 58.200 0.154 0.000 0.991 283 S CB -0.765 62.499 63.200 0.107 0.000 0.823 283 S HN 0.840 nan 8.310 nan 0.000 0.469 284 D N 1.082 121.549 120.400 0.111 0.000 2.097 284 D HA -0.057 4.584 4.640 0.001 0.000 0.195 284 D C 2.084 178.445 176.300 0.102 0.000 0.989 284 D CA 1.428 55.489 54.000 0.101 0.000 0.827 284 D CB -0.555 40.286 40.800 0.068 0.000 0.966 284 D HN 0.254 nan 8.370 nan 0.000 0.456 285 T N 0.724 115.328 114.554 0.083 0.000 2.708 285 T HA -0.137 4.213 4.350 0.001 0.000 0.266 285 T C 1.778 176.519 174.700 0.068 0.000 1.037 285 T CA 0.604 62.742 62.100 0.064 0.000 1.146 285 T CB -0.346 68.551 68.868 0.049 0.000 0.865 285 T HN 0.018 nan 8.240 nan 0.000 0.435 286 L N 1.359 122.639 121.223 0.095 0.000 2.046 286 L HA 0.006 4.347 4.340 0.001 0.000 0.208 286 L C 2.432 179.349 176.870 0.078 0.000 1.077 286 L CA 1.887 56.766 54.840 0.065 0.000 0.747 286 L CB -0.726 41.401 42.059 0.112 0.000 0.896 286 L HN 0.298 nan 8.230 nan 0.000 0.432 287 E N -0.800 119.554 120.200 0.257 0.000 2.077 287 E HA -0.278 4.073 4.350 0.001 0.000 0.193 287 E C 1.701 178.408 176.600 0.179 0.000 0.989 287 E CA 1.704 58.317 56.400 0.355 0.000 0.800 287 E CB -0.064 29.845 29.700 0.348 0.000 0.746 287 E HN 0.611 nan 8.360 nan 0.000 0.452 288 D N -0.284 120.186 120.400 0.117 0.000 2.097 288 D HA -0.111 4.530 4.640 0.001 0.000 0.195 288 D C 1.862 178.194 176.300 0.053 0.000 0.989 288 D CA 1.643 55.689 54.000 0.077 0.000 0.827 288 D CB -0.111 40.724 40.800 0.058 0.000 0.966 288 D HN 0.314 nan 8.370 nan 0.000 0.456 289 A N -0.248 122.588 122.820 0.027 0.000 1.940 289 A HA -0.202 4.119 4.320 0.001 0.000 0.219 289 A C 2.276 179.862 177.584 0.002 0.000 1.176 289 A CA 2.091 54.127 52.037 -0.001 0.000 0.631 289 A CB -0.974 18.003 19.000 -0.038 0.000 0.814 289 A HN 0.231 nan 8.150 nan 0.000 0.446 290 T N 0.597 115.134 114.554 -0.028 0.000 2.821 290 T HA -0.086 4.264 4.350 0.001 0.000 0.267 290 T C 1.563 176.324 174.700 0.100 0.000 1.046 290 T CA 1.308 63.395 62.100 -0.021 0.000 1.139 290 T CB -0.353 68.368 68.868 -0.244 0.000 0.871 290 T HN 0.477 nan 8.240 nan 0.000 0.454 291 N N 1.822 120.585 118.700 0.105 0.000 2.550 291 N HA 0.028 4.769 4.740 0.001 0.000 0.186 291 N C 0.980 176.543 175.510 0.090 0.000 1.110 291 N CA 0.372 53.489 53.050 0.110 0.000 0.912 291 N CB -0.178 38.368 38.487 0.098 0.000 0.968 291 N HN 0.377 nan 8.380 nan 0.000 0.448 292 N N 0.275 119.029 118.700 0.090 0.000 2.251 292 N HA 0.012 4.752 4.740 0.001 0.000 0.217 292 N C -0.095 175.504 175.510 0.149 0.000 1.124 292 N CA 0.155 53.266 53.050 0.100 0.000 0.843 292 N CB 0.812 39.350 38.487 0.085 0.000 1.024 292 N HN 0.245 nan 8.380 nan 0.000 0.501 293 T N -1.920 112.726 114.554 0.152 0.000 2.912 293 T HA 0.492 4.842 4.350 0.001 0.000 0.288 293 T C -3.067 171.730 174.700 0.162 0.000 1.030 293 T CA -2.333 59.874 62.100 0.178 0.000 1.020 293 T CB 2.466 71.431 68.868 0.161 0.000 1.056 293 T HN -0.247 nan 8.240 nan 0.000 0.480 294 P HA 0.281 nan 4.420 nan 0.000 0.262 294 P C 0.322 177.714 177.300 0.153 0.000 1.182 294 P CA 0.254 63.423 63.100 0.115 0.000 0.761 294 P CB 0.208 31.994 31.700 0.143 0.000 0.795 295 G N 2.081 110.956 108.800 0.124 0.000 2.462 295 G HA2 0.345 4.306 3.960 0.001 0.000 0.319 295 G HA3 0.345 4.306 3.960 0.001 0.000 0.319 295 G C 0.416 175.401 174.900 0.141 0.000 1.171 295 G CA -0.771 44.413 45.100 0.141 0.000 0.920 295 G HN 0.520 nan 8.290 nan 0.000 0.499 296 F N -0.839 119.234 119.950 0.205 0.000 2.408 296 F HA 0.093 4.620 4.527 0.001 0.000 0.300 296 F C 1.568 177.516 175.800 0.246 0.000 1.090 296 F CA 0.716 58.837 58.000 0.201 0.000 1.427 296 F CB -0.225 38.898 39.000 0.205 0.000 1.070 296 F HN 0.169 nan 8.300 nan 0.000 0.549 297 L N 0.113 121.262 121.223 -0.124 0.000 2.585 297 L HA 0.387 4.727 4.340 0.001 0.000 0.226 297 L C 1.769 178.674 176.870 0.059 0.000 1.113 297 L CA -0.065 54.793 54.840 0.031 0.000 0.876 297 L CB -0.623 41.383 42.059 -0.088 0.000 1.072 297 L HN 0.268 nan 8.230 nan 0.000 0.468 298 A N -0.784 122.066 122.820 0.050 0.000 2.292 298 A HA -0.054 4.267 4.320 0.001 0.000 0.265 298 A C 0.899 178.571 177.584 0.146 0.000 1.133 298 A CA -0.019 52.059 52.037 0.069 0.000 0.807 298 A CB -0.125 18.899 19.000 0.041 0.000 1.102 298 A HN 0.237 nan 8.150 nan 0.000 0.502 299 Y N 0.570 120.875 120.300 0.008 0.000 2.139 299 Y HA -0.244 4.306 4.550 0.001 0.000 0.282 299 Y C 2.645 178.639 175.900 0.156 0.000 1.179 299 Y CA 2.512 60.637 58.100 0.042 0.000 1.161 299 Y CB -0.525 37.934 38.460 -0.002 0.000 0.970 299 Y HN 0.522 nan 8.280 nan 0.000 0.511 300 S N -0.605 115.177 115.700 0.136 0.000 2.419 300 S HA -0.212 4.258 4.470 0.001 0.000 0.235 300 S C 1.423 176.035 174.600 0.020 0.000 1.019 300 S CA 0.924 59.151 58.200 0.045 0.000 0.982 300 S CB -0.700 62.567 63.200 0.112 0.000 0.789 300 S HN 0.658 nan 8.310 nan 0.000 0.490 301 S N 0.177 115.938 115.700 0.101 0.000 4.059 301 S HA -0.273 4.198 4.470 0.001 0.000 0.624 301 S C 0.848 175.512 174.600 0.107 0.000 2.019 301 S CA 1.328 59.617 58.200 0.148 0.000 4.197 301 S CB -1.553 61.740 63.200 0.155 0.000 0.215 301 S HN 0.439 nan 8.310 nan 0.000 0.609 302 L N 1.537 122.771 121.223 0.019 0.000 2.622 302 L HA 0.082 4.423 4.340 0.001 0.000 0.233 302 L C 1.705 178.546 176.870 -0.049 0.000 1.156 302 L CA 0.708 55.510 54.840 -0.063 0.000 0.866 302 L CB -0.484 41.475 42.059 -0.165 0.000 0.980 302 L HN 0.372 nan 8.230 nan 0.000 0.448 303 R N 1.825 122.288 120.500 -0.062 0.000 3.268 303 R HA 0.200 4.540 4.340 0.001 0.000 0.217 303 R C -0.276 176.065 176.300 0.069 0.000 1.568 303 R CA -0.306 55.745 56.100 -0.082 0.000 1.322 303 R CB -0.265 29.891 30.300 -0.240 0.000 1.280 303 R HN 0.238 nan 8.270 nan 0.000 0.667 304 L N 1.989 123.263 121.223 0.086 0.000 2.485 304 L HA -0.017 4.324 4.340 0.001 0.000 0.275 304 L C 1.512 178.443 176.870 0.101 0.000 1.207 304 L CA -0.066 54.849 54.840 0.125 0.000 0.855 304 L CB 1.117 43.243 42.059 0.112 0.000 1.114 304 L HN 0.520 nan 8.230 nan 0.000 0.485 305 S N 1.023 116.699 115.700 -0.041 0.000 2.406 305 S HA -0.023 4.448 4.470 0.001 0.000 0.228 305 S C -0.245 173.906 174.600 -0.748 0.000 1.020 305 S CA 1.037 58.945 58.200 -0.486 0.000 0.965 305 S CB -0.046 62.728 63.200 -0.710 0.000 0.798 305 S HN 0.418 nan 8.310 nan 0.000 0.488 306 Y N 1.208 121.575 120.300 0.111 0.000 2.373 306 Y HA 0.721 5.271 4.550 0.001 0.000 0.336 306 Y C -0.285 175.594 175.900 -0.034 0.000 0.979 306 Y CA -1.300 56.873 58.100 0.122 0.000 1.080 306 Y CB 1.139 39.757 38.460 0.263 0.000 1.190 306 Y HN 0.029 nan 8.280 nan 0.000 0.446 307 L N 0.214 121.344 121.223 -0.155 0.000 3.020 307 L HA 0.754 5.094 4.340 0.001 0.000 0.273 307 L C -3.388 173.049 176.870 -0.722 0.000 1.018 307 L CA -2.546 51.796 54.840 -0.829 0.000 0.950 307 L CB 2.127 43.875 42.059 -0.518 0.000 1.510 307 L HN 0.152 nan 8.230 nan 0.000 0.404 308 P HA 0.345 nan 4.420 nan 0.000 0.268 308 P C -1.347 175.820 177.300 -0.223 0.000 1.204 308 P CA 0.102 62.971 63.100 -0.385 0.000 0.768 308 P CB 0.545 31.985 31.700 -0.434 0.000 0.842 309 R N 3.826 124.282 120.500 -0.074 0.000 2.673 309 R HA 0.428 4.768 4.340 0.001 0.000 0.281 309 R C -2.722 173.547 176.300 -0.051 0.000 0.991 309 R CA -2.284 53.772 56.100 -0.073 0.000 0.896 309 R CB 1.677 31.956 30.300 -0.035 0.000 1.201 309 R HN 0.259 nan 8.270 nan 0.000 0.457 310 P HA -0.034 nan 4.420 nan 0.000 0.265 310 P C -0.350 176.919 177.300 -0.052 0.000 1.193 310 P CA 0.358 63.425 63.100 -0.055 0.000 0.765 310 P CB 0.568 32.249 31.700 -0.031 0.000 0.823 311 D N 1.260 121.613 120.400 -0.078 0.000 2.469 311 D HA 0.141 4.782 4.640 0.001 0.000 0.213 311 D C 1.369 177.622 176.300 -0.079 0.000 1.135 311 D CA 0.228 54.183 54.000 -0.074 0.000 0.834 311 D CB -0.442 40.308 40.800 -0.083 0.000 1.009 311 D HN 0.501 nan 8.370 nan 0.000 0.507 312 G N -0.077 108.672 108.800 -0.085 0.000 2.184 312 G HA2 -0.329 3.631 3.960 0.001 0.000 0.264 312 G HA3 -0.329 3.631 3.960 0.001 0.000 0.264 312 G C 0.775 175.616 174.900 -0.097 0.000 0.975 312 G CA 0.740 45.795 45.100 -0.076 0.000 0.642 312 G HN 0.618 nan 8.290 nan 0.000 0.536 313 V N -0.550 119.282 119.914 -0.137 0.000 3.001 313 V HA 0.305 4.425 4.120 0.001 0.000 0.228 313 V C 1.887 177.821 176.094 -0.265 0.000 1.204 313 V CA 2.012 64.218 62.300 -0.157 0.000 1.247 313 V CB 0.004 31.755 31.823 -0.120 0.000 1.093 313 V HN 0.306 nan 8.190 nan 0.000 0.504 314 N N -0.164 118.280 118.700 -0.425 0.000 2.387 314 N HA 0.343 5.083 4.740 0.001 0.000 0.176 314 N C 0.251 175.291 175.510 -0.783 0.000 1.022 314 N CA 0.696 53.233 53.050 -0.855 0.000 0.883 314 N CB 0.585 38.206 38.487 -1.445 0.000 1.019 314 N HN 0.392 nan 8.380 nan 0.000 0.435 315 I N 1.409 121.692 120.570 -0.479 0.000 2.502 315 I HA 0.091 4.261 4.170 0.001 0.000 0.276 315 I C 0.969 176.989 176.117 -0.162 0.000 1.057 315 I CA -0.268 60.882 61.300 -0.251 0.000 1.163 315 I CB 1.271 39.177 38.000 -0.156 0.000 1.288 315 I HN 0.159 nan 8.210 nan 0.000 0.479 316 T N 0.057 114.532 114.554 -0.132 0.000 2.977 316 T HA -0.064 4.286 4.350 0.001 0.000 0.271 316 T C 0.477 175.150 174.700 -0.045 0.000 1.105 316 T CA 1.083 63.131 62.100 -0.087 0.000 1.116 316 T CB 0.111 68.936 68.868 -0.073 0.000 0.878 316 T HN 0.539 nan 8.240 nan 0.000 0.509 317 D N -0.413 119.973 120.400 -0.024 0.000 2.713 317 D HA 0.222 4.863 4.640 0.001 0.000 0.306 317 D C -1.812 174.513 176.300 0.042 0.000 1.299 317 D CA -0.747 53.260 54.000 0.011 0.000 0.823 317 D CB 1.081 41.894 40.800 0.022 0.000 1.353 317 D HN 0.039 nan 8.370 nan 0.000 0.447 318 D N 0.934 121.392 120.400 0.096 0.000 2.658 318 D HA -0.099 4.541 4.640 0.001 0.000 0.230 318 D C 1.228 177.630 176.300 0.168 0.000 1.118 318 D CA 0.675 54.793 54.000 0.196 0.000 0.848 318 D CB 0.529 41.492 40.800 0.272 0.000 1.160 318 D HN 0.415 nan 8.370 nan 0.000 0.497 319 M N 3.317 122.991 119.600 0.123 0.000 2.279 319 M HA -0.191 4.289 4.480 0.001 0.000 0.264 319 M C 1.126 177.469 176.300 0.071 0.000 1.062 319 M CA 1.005 56.339 55.300 0.057 0.000 1.099 319 M CB -0.163 32.400 32.600 -0.062 0.000 1.394 319 M HN 0.520 nan 8.290 nan 0.000 0.426 320 Y N -0.070 120.286 120.300 0.093 0.000 2.263 320 Y HA -0.053 4.497 4.550 0.001 0.000 0.292 320 Y C 2.605 178.576 175.900 0.119 0.000 1.130 320 Y CA 1.329 59.466 58.100 0.062 0.000 1.179 320 Y CB -0.638 37.793 38.460 -0.047 0.000 0.998 320 Y HN 0.202 nan 8.280 nan 0.000 0.532 321 A N -0.112 122.861 122.820 0.256 0.000 1.930 321 A HA -0.105 4.216 4.320 0.001 0.000 0.217 321 A C 2.188 179.853 177.584 0.135 0.000 1.175 321 A CA 1.209 53.345 52.037 0.165 0.000 0.627 321 A CB -0.998 18.076 19.000 0.124 0.000 0.815 321 A HN 0.449 nan 8.150 nan 0.000 0.443 322 L N -0.488 120.814 121.223 0.133 0.000 2.042 322 L HA -0.175 4.166 4.340 0.001 0.000 0.210 322 L C 2.491 179.479 176.870 0.196 0.000 1.076 322 L CA 1.102 56.016 54.840 0.123 0.000 0.749 322 L CB -0.594 41.534 42.059 0.115 0.000 0.893 322 L HN 0.246 nan 8.230 nan 0.000 0.432 323 V N -0.306 119.767 119.914 0.264 0.000 2.358 323 V HA -0.239 3.881 4.120 0.001 0.000 0.246 323 V C 2.590 178.881 176.094 0.328 0.000 1.047 323 V CA 1.628 64.174 62.300 0.409 0.000 1.035 323 V CB -0.575 31.451 31.823 0.338 0.000 0.658 323 V HN 0.403 nan 8.190 nan 0.000 0.452 324 R N -0.080 120.524 120.500 0.173 0.000 2.115 324 R HA -0.108 4.232 4.340 0.001 0.000 0.230 324 R C 1.980 178.352 176.300 0.120 0.000 1.111 324 R CA 1.261 57.432 56.100 0.118 0.000 0.976 324 R CB -0.153 30.188 30.300 0.068 0.000 0.870 324 R HN 0.601 nan 8.270 nan 0.000 0.445 325 E N -0.593 119.656 120.200 0.083 0.000 2.502 325 E HA 0.054 4.404 4.350 0.001 0.000 0.194 325 E C 0.681 177.232 176.600 -0.081 0.000 1.062 325 E CA 0.315 56.724 56.400 0.015 0.000 0.867 325 E CB 0.527 30.234 29.700 0.012 0.000 0.888 325 E HN 0.499 nan 8.360 nan 0.000 0.510 326 G N 2.295 111.000 108.800 -0.158 0.000 2.143 326 G HA2 -0.286 3.674 3.960 0.001 0.000 0.248 326 G HA3 -0.286 3.674 3.960 0.001 0.000 0.248 326 G C 0.158 174.560 174.900 -0.830 0.000 0.991 326 G CA -0.021 44.704 45.100 -0.626 0.000 0.689 326 G HN 0.103 nan 8.290 nan 0.000 0.522 327 K N 0.470 120.618 120.400 -0.421 0.000 2.502 327 K HA 0.418 4.738 4.320 0.001 0.000 0.244 327 K C -0.148 176.431 176.600 -0.035 0.000 1.249 327 K CA 0.029 56.196 56.287 -0.199 0.000 1.193 327 K CB -0.301 32.171 32.500 -0.047 0.000 1.674 327 K HN 0.721 nan 8.250 nan 0.000 0.302 328 Y N -2.306 118.089 120.300 0.158 0.000 2.625 328 Y HA 0.630 5.180 4.550 0.001 0.000 0.338 328 Y C -0.543 175.487 175.900 0.217 0.000 1.123 328 Y CA -2.059 56.182 58.100 0.236 0.000 1.046 328 Y CB 0.447 39.136 38.460 0.382 0.000 1.299 328 Y HN 0.126 nan 8.280 nan 0.000 0.464 329 A N 1.006 124.134 122.820 0.514 0.000 2.388 329 A HA 0.384 4.705 4.320 0.001 0.000 0.257 329 A C -0.641 177.216 177.584 0.455 0.000 1.095 329 A CA -0.738 51.516 52.037 0.362 0.000 0.791 329 A CB -0.407 18.765 19.000 0.287 0.000 1.029 329 A HN 0.826 nan 8.150 nan 0.000 0.489 330 N N 1.042 119.916 118.700 0.291 0.000 2.602 330 N HA 0.457 5.198 4.740 0.001 0.000 0.238 330 N C -0.576 175.065 175.510 0.219 0.000 1.084 330 N CA -0.048 53.145 53.050 0.240 0.000 0.952 330 N CB 0.226 38.789 38.487 0.126 0.000 1.244 330 N HN 0.678 nan 8.380 nan 0.000 0.512 331 I N -1.998 118.773 120.570 0.335 0.000 2.969 331 I HA 0.698 4.868 4.170 0.001 0.000 0.307 331 I C -2.757 173.572 176.117 0.352 0.000 1.149 331 I CA -2.891 58.583 61.300 0.291 0.000 1.008 331 I CB 2.583 40.768 38.000 0.309 0.000 1.232 331 I HN 0.063 nan 8.210 nan 0.000 0.435 332 P HA 0.262 nan 4.420 nan 0.000 0.275 332 P C -0.749 176.864 177.300 0.521 0.000 1.227 332 P CA -0.096 63.237 63.100 0.388 0.000 0.781 332 P CB 1.694 33.594 31.700 0.335 0.000 0.906 333 V N 0.544 120.717 119.914 0.431 0.000 3.159 333 V HA 0.669 4.789 4.120 0.001 0.000 0.308 333 V C -0.744 175.325 176.094 -0.042 0.000 1.190 333 V CA -1.122 61.309 62.300 0.219 0.000 1.037 333 V CB 2.315 34.178 31.823 0.068 0.000 1.060 333 V HN 0.340 nan 8.190 nan 0.000 0.437 334 I N 2.612 123.039 120.570 -0.238 0.000 2.499 334 I HA 0.632 4.802 4.170 0.001 0.000 0.288 334 I C -1.121 174.979 176.117 -0.027 0.000 1.048 334 I CA -0.477 60.696 61.300 -0.213 0.000 1.062 334 I CB 2.017 39.721 38.000 -0.494 0.000 1.238 334 I HN 0.743 nan 8.210 nan 0.000 0.426 335 I N 5.262 125.866 120.570 0.056 0.000 2.534 335 I HA 0.793 4.964 4.170 0.001 0.000 0.288 335 I C -0.621 175.393 176.117 -0.173 0.000 1.077 335 I CA 0.041 61.324 61.300 -0.029 0.000 1.051 335 I CB 1.771 39.718 38.000 -0.088 0.000 1.234 335 I HN 0.657 nan 8.210 nan 0.000 0.425 336 G N 5.120 113.629 108.800 -0.485 0.000 2.866 336 G HA2 0.577 4.537 3.960 0.001 0.000 0.289 336 G HA3 0.577 4.537 3.960 0.001 0.000 0.289 336 G C -2.012 172.504 174.900 -0.641 0.000 1.396 336 G CA -0.414 43.936 45.100 -1.250 0.000 0.848 336 G HN 0.523 nan 8.290 nan 0.000 0.515 337 D N -0.854 119.266 120.400 -0.468 0.000 2.583 337 D HA 0.332 4.972 4.640 0.001 0.000 0.248 337 D C -0.874 175.482 176.300 0.094 0.000 1.209 337 D CA -0.433 53.538 54.000 -0.049 0.000 0.848 337 D CB 2.372 43.208 40.800 0.060 0.000 1.431 337 D HN 0.103 nan 8.370 nan 0.000 0.436 338 Q N 1.072 120.938 119.800 0.111 0.000 2.230 338 Q HA 0.212 4.552 4.340 0.001 0.000 0.253 338 Q C 0.791 176.868 176.000 0.127 0.000 0.919 338 Q CA -0.210 55.671 55.803 0.130 0.000 0.908 338 Q CB 1.487 30.262 28.738 0.063 0.000 1.245 338 Q HN 0.530 nan 8.270 nan 0.000 0.437 339 N N 1.540 120.323 118.700 0.138 0.000 2.094 339 N HA -0.164 4.577 4.740 0.001 0.000 0.191 339 N C -0.588 175.089 175.510 0.277 0.000 1.023 339 N CA 0.999 54.148 53.050 0.164 0.000 0.857 339 N CB 0.436 39.011 38.487 0.147 0.000 1.013 339 N HN 0.469 nan 8.380 nan 0.000 0.426 340 D N 0.668 121.196 120.400 0.212 0.000 2.863 340 D HA 0.074 4.714 4.640 0.001 0.000 0.323 340 D C 0.372 176.772 176.300 0.167 0.000 1.286 340 D CA -0.158 53.948 54.000 0.176 0.000 0.921 340 D CB 0.771 41.639 40.800 0.114 0.000 1.024 340 D HN 0.238 nan 8.370 nan 0.000 0.505 341 E N 0.431 120.716 120.200 0.141 0.000 2.160 341 E HA -0.127 4.223 4.350 0.001 0.000 0.195 341 E C 1.915 178.629 176.600 0.190 0.000 0.991 341 E CA 0.750 57.164 56.400 0.023 0.000 0.810 341 E CB 0.104 29.634 29.700 -0.283 0.000 0.742 341 E HN 0.384 nan 8.360 nan 0.000 0.466 342 G N 1.289 110.244 108.800 0.259 0.000 2.880 342 G HA2 -0.133 3.827 3.960 0.001 0.000 0.209 342 G HA3 -0.133 3.827 3.960 0.001 0.000 0.209 342 G C 1.671 176.710 174.900 0.231 0.000 1.157 342 G CA 0.932 46.245 45.100 0.356 0.000 0.779 342 G HN 0.352 nan 8.290 nan 0.000 0.539 343 T N -1.151 113.480 114.554 0.127 0.000 2.684 343 T HA -0.173 4.178 4.350 0.001 0.000 0.267 343 T C 2.068 176.898 174.700 0.216 0.000 1.036 343 T CA 1.068 63.226 62.100 0.097 0.000 1.148 343 T CB -0.469 68.476 68.868 0.129 0.000 0.863 343 T HN 0.100 nan 8.240 nan 0.000 0.436 344 F N 1.492 121.453 119.950 0.018 0.000 2.134 344 F HA 0.064 4.591 4.527 0.001 0.000 0.299 344 F C 1.748 177.507 175.800 -0.068 0.000 1.097 344 F CA 1.062 59.004 58.000 -0.096 0.000 1.264 344 F CB -0.351 38.549 39.000 -0.167 0.000 1.001 344 F HN 0.098 nan 8.300 nan 0.000 0.479 345 F N -0.120 120.052 119.950 0.370 0.000 2.325 345 F HA 0.074 4.602 4.527 0.001 0.000 0.299 345 F C 2.609 178.526 175.800 0.194 0.000 1.090 345 F CA 0.904 59.072 58.000 0.281 0.000 1.392 345 F CB -1.579 37.578 39.000 0.262 0.000 1.053 345 F HN -0.030 nan 8.300 nan 0.000 0.521 346 G N -0.498 108.502 108.800 0.332 0.000 2.509 346 G HA2 -0.187 3.773 3.960 0.001 0.000 0.218 346 G HA3 -0.187 3.773 3.960 0.001 0.000 0.218 346 G C 1.639 176.745 174.900 0.343 0.000 1.124 346 G CA 1.232 46.504 45.100 0.286 0.000 0.776 346 G HN 0.419 nan 8.290 nan 0.000 0.547 347 T N -2.181 112.504 114.554 0.219 0.000 3.072 347 T HA 0.044 4.395 4.350 0.001 0.000 0.266 347 T C 2.244 176.942 174.700 -0.004 0.000 1.127 347 T CA 1.236 63.342 62.100 0.010 0.000 1.107 347 T CB -0.048 68.681 68.868 -0.232 0.000 0.910 347 T HN 0.077 nan 8.240 nan 0.000 0.513 348 S N 1.853 117.597 115.700 0.072 0.000 2.522 348 S HA 0.051 4.521 4.470 0.001 0.000 0.227 348 S C 1.532 176.171 174.600 0.066 0.000 0.986 348 S CA 0.710 58.958 58.200 0.080 0.000 0.929 348 S CB -0.135 63.153 63.200 0.147 0.000 0.769 348 S HN 0.817 nan 8.310 nan 0.000 0.529 349 S N 0.414 116.111 115.700 -0.005 0.000 2.751 349 S HA 0.379 4.849 4.470 0.001 0.000 0.247 349 S C 0.610 175.173 174.600 -0.063 0.000 1.103 349 S CA -0.421 57.712 58.200 -0.112 0.000 1.090 349 S CB -0.444 62.394 63.200 -0.603 0.000 0.928 349 S HN 0.279 nan 8.310 nan 0.000 0.502 350 L N 1.937 123.145 121.223 -0.025 0.000 2.633 350 L HA 0.039 4.379 4.340 0.001 0.000 0.235 350 L C 1.851 178.687 176.870 -0.058 0.000 1.163 350 L CA 0.344 55.155 54.840 -0.048 0.000 0.859 350 L CB -0.557 41.441 42.059 -0.101 0.000 0.973 350 L HN 0.554 nan 8.230 nan 0.000 0.451 351 N N -0.895 117.772 118.700 -0.054 0.000 2.280 351 N HA -0.010 4.731 4.740 0.001 0.000 0.192 351 N C 0.107 175.577 175.510 -0.067 0.000 1.109 351 N CA 0.002 53.009 53.050 -0.071 0.000 0.855 351 N CB 0.219 38.641 38.487 -0.109 0.000 0.974 351 N HN 0.028 nan 8.380 nan 0.000 0.482 352 V N 1.949 121.820 119.914 -0.072 0.000 2.348 352 V HA 0.260 4.381 4.120 0.001 0.000 0.270 352 V C 1.078 177.143 176.094 -0.049 0.000 1.037 352 V CA 0.064 62.312 62.300 -0.086 0.000 0.872 352 V CB 0.980 32.685 31.823 -0.196 0.000 1.002 352 V HN 0.505 nan 8.190 nan 0.000 0.464 353 T N -0.314 114.222 114.554 -0.029 0.000 2.964 353 T HA 0.126 4.477 4.350 0.001 0.000 0.250 353 T C 0.750 175.455 174.700 0.009 0.000 0.982 353 T CA 0.544 62.640 62.100 -0.006 0.000 0.959 353 T CB 0.532 69.394 68.868 -0.011 0.000 1.141 353 T HN 0.657 nan 8.240 nan 0.000 0.494 354 T N -0.263 114.295 114.554 0.006 0.000 2.952 354 T HA 0.465 4.815 4.350 0.001 0.000 0.286 354 T C 0.212 174.930 174.700 0.030 0.000 1.024 354 T CA -0.580 61.532 62.100 0.021 0.000 1.029 354 T CB 1.633 70.512 68.868 0.018 0.000 1.094 354 T HN -0.184 nan 8.240 nan 0.000 0.515 355 D N 0.757 121.186 120.400 0.048 0.000 2.178 355 D HA -0.021 4.619 4.640 0.001 0.000 0.201 355 D C 2.273 178.613 176.300 0.067 0.000 0.980 355 D CA 1.539 55.581 54.000 0.070 0.000 0.842 355 D CB -0.629 40.220 40.800 0.082 0.000 0.948 355 D HN 0.738 nan 8.370 nan 0.000 0.472 356 A N 0.727 123.578 122.820 0.051 0.000 1.930 356 A HA -0.217 4.104 4.320 0.001 0.000 0.217 356 A C 2.126 179.736 177.584 0.043 0.000 1.175 356 A CA 1.337 53.404 52.037 0.050 0.000 0.627 356 A CB -0.545 18.478 19.000 0.038 0.000 0.815 356 A HN 0.202 nan 8.150 nan 0.000 0.443 357 Q N -0.632 119.183 119.800 0.024 0.000 2.119 357 Q HA -0.010 4.331 4.340 0.001 0.000 0.201 357 Q C 2.393 178.389 176.000 -0.007 0.000 0.972 357 Q CA 1.186 56.997 55.803 0.013 0.000 0.847 357 Q CB -0.368 28.366 28.738 -0.007 0.000 0.903 357 Q HN 0.680 nan 8.270 nan 0.000 0.433 358 A N 1.408 124.207 122.820 -0.036 0.000 1.877 358 A HA -0.237 4.083 4.320 0.001 0.000 0.216 358 A C 2.035 179.533 177.584 -0.144 0.000 1.186 358 A CA 1.651 53.590 52.037 -0.162 0.000 0.620 358 A CB -0.544 18.415 19.000 -0.068 0.000 0.822 358 A HN 0.259 nan 8.150 nan 0.000 0.443 359 R N -0.540 120.013 120.500 0.089 0.000 2.105 359 R HA -0.208 4.133 4.340 0.001 0.000 0.239 359 R C 2.055 178.450 176.300 0.159 0.000 1.135 359 R CA 1.944 58.170 56.100 0.210 0.000 0.967 359 R CB -0.214 30.188 30.300 0.169 0.000 0.861 359 R HN 0.479 nan 8.270 nan 0.000 0.442 360 E N -0.488 119.770 120.200 0.095 0.000 2.107 360 E HA -0.193 4.157 4.350 0.001 0.000 0.191 360 E C 1.554 178.214 176.600 0.100 0.000 0.982 360 E CA 1.127 57.582 56.400 0.091 0.000 0.809 360 E CB -0.416 29.332 29.700 0.080 0.000 0.756 360 E HN 0.464 nan 8.360 nan 0.000 0.459 361 Y N -0.238 119.998 120.300 -0.106 0.000 2.200 361 Y HA -0.156 4.395 4.550 0.001 0.000 0.290 361 Y C 1.597 177.391 175.900 -0.178 0.000 1.137 361 Y CA 1.432 59.419 58.100 -0.190 0.000 1.163 361 Y CB -0.431 37.826 38.460 -0.338 0.000 0.988 361 Y HN 0.036 nan 8.280 nan 0.000 0.518 362 F N 0.575 120.495 119.950 -0.051 0.000 2.146 362 F HA -0.114 4.413 4.527 0.001 0.000 0.298 362 F C 2.319 178.068 175.800 -0.085 0.000 1.096 362 F CA 1.405 59.342 58.000 -0.105 0.000 1.275 362 F CB -0.886 38.217 39.000 0.171 0.000 1.008 362 F HN -0.037 nan 8.300 nan 0.000 0.480 363 K N -0.022 120.480 120.400 0.170 0.000 2.032 363 K HA -0.258 4.063 4.320 0.001 0.000 0.209 363 K C 2.151 178.728 176.600 -0.039 0.000 1.048 363 K CA 1.683 58.018 56.287 0.080 0.000 0.927 363 K CB -0.390 32.151 32.500 0.070 0.000 0.712 363 K HN 0.327 nan 8.250 nan 0.000 0.441 364 Q N 0.465 120.216 119.800 -0.083 0.000 2.124 364 Q HA -0.131 4.209 4.340 0.001 0.000 0.202 364 Q C 1.705 177.531 176.000 -0.290 0.000 0.977 364 Q CA 1.746 57.469 55.803 -0.135 0.000 0.850 364 Q CB 0.130 28.835 28.738 -0.055 0.000 0.901 364 Q HN 0.132 nan 8.270 nan 0.000 0.429 365 S N -0.249 115.162 115.700 -0.482 0.000 2.395 365 S HA 0.034 4.504 4.470 0.001 0.000 0.225 365 S C -0.144 174.037 174.600 -0.698 0.000 1.027 365 S CA 0.379 58.132 58.200 -0.745 0.000 0.965 365 S CB 0.120 62.622 63.200 -1.163 0.000 0.812 365 S HN 0.288 nan 8.310 nan 0.000 0.482 366 F N 1.762 121.622 119.950 -0.149 0.000 2.310 366 F HA 0.325 4.852 4.527 0.001 0.000 0.365 366 F C 1.096 176.755 175.800 -0.234 0.000 1.080 366 F CA -1.625 56.277 58.000 -0.164 0.000 1.187 366 F CB 0.244 39.164 39.000 -0.133 0.000 1.465 366 F HN -0.099 nan 8.300 nan 0.000 0.496 367 V N -1.054 118.747 119.914 -0.188 0.000 2.867 367 V HA -0.204 3.917 4.120 0.001 0.000 0.260 367 V C 1.516 177.403 176.094 -0.345 0.000 1.099 367 V CA 1.842 63.961 62.300 -0.301 0.000 1.122 367 V CB -0.687 30.892 31.823 -0.406 0.000 0.708 367 V HN 0.667 nan 8.190 nan 0.000 0.490 368 H N 0.753 119.768 119.070 -0.091 0.000 2.551 368 H HA 0.576 5.133 4.556 0.001 0.000 0.271 368 H C 1.186 176.364 175.328 -0.249 0.000 0.984 368 H CA 0.456 56.411 56.048 -0.156 0.000 1.164 368 H CB 0.203 29.860 29.762 -0.175 0.000 1.437 368 H HN 0.626 nan 8.280 nan 0.000 0.550 369 A N 1.915 124.607 122.820 -0.214 0.000 2.328 369 A HA 0.370 4.691 4.320 0.001 0.000 0.284 369 A C 0.818 178.298 177.584 -0.174 0.000 1.160 369 A CA -0.329 51.499 52.037 -0.349 0.000 0.818 369 A CB 0.371 19.035 19.000 -0.560 0.000 1.087 369 A HN 0.331 nan 8.150 nan 0.000 0.504 370 S N 1.647 117.253 115.700 -0.157 0.000 2.614 370 S HA 0.155 4.626 4.470 0.001 0.000 0.265 370 S C 0.383 174.956 174.600 -0.046 0.000 1.303 370 S CA -0.199 57.953 58.200 -0.080 0.000 1.000 370 S CB 0.703 63.861 63.200 -0.070 0.000 0.935 370 S HN 0.635 nan 8.310 nan 0.000 0.551 371 D N 1.163 121.554 120.400 -0.014 0.000 2.178 371 D HA -0.079 4.562 4.640 0.001 0.000 0.201 371 D C 2.141 178.454 176.300 0.021 0.000 0.980 371 D CA 1.589 55.598 54.000 0.015 0.000 0.842 371 D CB -0.541 40.270 40.800 0.020 0.000 0.948 371 D HN 0.711 nan 8.370 nan 0.000 0.472 372 A N 1.195 124.018 122.820 0.005 0.000 1.898 372 A HA -0.195 4.125 4.320 0.001 0.000 0.216 372 A C 2.091 179.686 177.584 0.019 0.000 1.181 372 A CA 1.319 53.363 52.037 0.011 0.000 0.620 372 A CB -0.462 18.538 19.000 -0.000 0.000 0.819 372 A HN 0.167 nan 8.150 nan 0.000 0.442 373 E N -0.364 119.836 120.200 -0.000 0.000 2.110 373 E HA -0.144 4.207 4.350 0.001 0.000 0.193 373 E C 1.838 178.499 176.600 0.100 0.000 0.988 373 E CA 1.045 57.463 56.400 0.030 0.000 0.804 373 E CB -0.169 29.479 29.700 -0.086 0.000 0.745 373 E HN 0.531 nan 8.360 nan 0.000 0.458 374 I N 1.675 122.287 120.570 0.071 0.000 2.315 374 I HA -0.213 3.957 4.170 0.001 0.000 0.248 374 I C 1.682 177.865 176.117 0.111 0.000 1.117 374 I CA 1.296 62.669 61.300 0.122 0.000 1.404 374 I CB -0.889 37.194 38.000 0.138 0.000 1.071 374 I HN 0.074 nan 8.210 nan 0.000 0.419 375 D N 0.517 120.968 120.400 0.086 0.000 2.144 375 D HA -0.112 4.529 4.640 0.001 0.000 0.200 375 D C 2.147 178.487 176.300 0.067 0.000 0.978 375 D CA 1.323 55.371 54.000 0.080 0.000 0.833 375 D CB -0.049 40.787 40.800 0.060 0.000 0.961 375 D HN 0.269 nan 8.370 nan 0.000 0.470 376 T N 1.198 115.785 114.554 0.055 0.000 2.777 376 T HA -0.112 4.238 4.350 0.001 0.000 0.266 376 T C 1.946 176.665 174.700 0.031 0.000 1.040 376 T CA 0.363 62.486 62.100 0.037 0.000 1.141 376 T CB -0.237 68.648 68.868 0.029 0.000 0.868 376 T HN 0.036 nan 8.240 nan 0.000 0.444 377 L N 1.009 122.249 121.223 0.029 0.000 2.046 377 L HA 0.082 4.422 4.340 0.001 0.000 0.208 377 L C 2.128 179.046 176.870 0.080 0.000 1.077 377 L CA 1.740 56.574 54.840 -0.010 0.000 0.747 377 L CB -0.564 41.397 42.059 -0.164 0.000 0.896 377 L HN 0.250 nan 8.230 nan 0.000 0.432 378 M N -1.943 117.712 119.600 0.092 0.000 2.619 378 M HA -0.057 4.424 4.480 0.001 0.000 0.251 378 M C 1.461 177.839 176.300 0.130 0.000 1.106 378 M CA 0.882 56.278 55.300 0.160 0.000 1.086 378 M CB -0.352 32.370 32.600 0.203 0.000 1.465 378 M HN 0.226 nan 8.290 nan 0.000 0.506 379 T N 0.234 114.837 114.554 0.082 0.000 3.021 379 T HA 0.165 4.515 4.350 0.001 0.000 0.245 379 T C 1.943 176.649 174.700 0.010 0.000 1.028 379 T CA 0.983 63.112 62.100 0.049 0.000 1.139 379 T CB 0.126 69.014 68.868 0.033 0.000 0.884 379 T HN 0.427 nan 8.240 nan 0.000 0.457 380 A N 0.405 123.210 122.820 -0.024 0.000 1.968 380 A HA 0.093 4.413 4.320 0.001 0.000 0.217 380 A C 0.301 177.678 177.584 -0.346 0.000 1.169 380 A CA 0.916 52.846 52.037 -0.178 0.000 0.638 380 A CB -0.398 18.478 19.000 -0.206 0.000 0.812 380 A HN 0.571 nan 8.150 nan 0.000 0.446 381 Y N 0.677 120.991 120.300 0.023 0.000 2.863 381 Y HA 0.325 4.875 4.550 0.001 0.000 0.348 381 Y C -2.420 173.537 175.900 0.096 0.000 1.028 381 Y CA -2.932 55.208 58.100 0.067 0.000 1.213 381 Y CB 0.941 39.430 38.460 0.048 0.000 1.120 381 Y HN 0.193 nan 8.280 nan 0.000 0.598 382 P HA 0.074 nan 4.420 nan 0.000 0.274 382 P C 0.905 178.300 177.300 0.157 0.000 1.246 382 P CA 0.123 63.308 63.100 0.143 0.000 0.795 382 P CB 1.508 33.263 31.700 0.091 0.000 1.006 383 G N 0.347 109.228 108.800 0.134 0.000 2.432 383 G HA2 -0.190 3.771 3.960 0.001 0.000 0.219 383 G HA3 -0.190 3.771 3.960 0.001 0.000 0.219 383 G C 0.560 175.524 174.900 0.106 0.000 1.135 383 G CA 0.252 45.425 45.100 0.122 0.000 0.767 383 G HN 0.564 nan 8.290 nan 0.000 0.550 384 D N 1.265 121.722 120.400 0.095 0.000 2.899 384 D HA -0.115 4.525 4.640 0.001 0.000 0.254 384 D C 2.098 178.453 176.300 0.092 0.000 1.320 384 D CA 0.000 54.051 54.000 0.085 0.000 0.929 384 D CB -0.170 40.676 40.800 0.078 0.000 1.148 384 D HN 0.459 nan 8.370 nan 0.000 0.571 385 I N 1.449 122.069 120.570 0.084 0.000 2.530 385 I HA -0.243 3.928 4.170 0.001 0.000 0.257 385 I C 1.671 177.838 176.117 0.083 0.000 1.179 385 I CA 1.484 62.834 61.300 0.084 0.000 1.440 385 I CB -0.783 37.265 38.000 0.080 0.000 1.087 385 I HN 0.345 nan 8.210 nan 0.000 0.440 386 T N -2.247 112.357 114.554 0.083 0.000 3.055 386 T HA 0.003 4.353 4.350 0.001 0.000 0.265 386 T C 1.759 176.528 174.700 0.114 0.000 1.111 386 T CA 0.502 62.654 62.100 0.087 0.000 1.118 386 T CB -0.142 68.771 68.868 0.074 0.000 0.909 386 T HN 0.442 nan 8.240 nan 0.000 0.501 387 Q N 0.884 120.759 119.800 0.125 0.000 2.398 387 Q HA 0.280 4.620 4.340 0.001 0.000 0.204 387 Q C 1.430 177.584 176.000 0.257 0.000 0.932 387 Q CA 0.492 56.397 55.803 0.171 0.000 0.916 387 Q CB 0.036 28.857 28.738 0.139 0.000 1.024 387 Q HN 0.684 nan 8.270 nan 0.000 0.504 388 G N 0.342 109.239 108.800 0.162 0.000 2.525 388 G HA2 0.257 4.217 3.960 0.001 0.000 0.287 388 G HA3 0.257 4.217 3.960 0.001 0.000 0.287 388 G C -0.756 173.985 174.900 -0.265 0.000 1.350 388 G CA -0.336 44.799 45.100 0.058 0.000 1.039 388 G HN 0.086 nan 8.290 nan 0.000 0.513 389 S N -0.059 115.249 115.700 -0.654 0.000 2.508 389 S HA 0.548 5.018 4.470 0.001 0.000 0.284 389 S C -2.537 171.768 174.600 -0.492 0.000 1.192 389 S CA -1.365 56.233 58.200 -1.004 0.000 1.070 389 S CB 1.314 63.825 63.200 -1.149 0.000 1.004 389 S HN 0.207 nan 8.310 nan 0.000 0.493 390 P HA 0.062 nan 4.420 nan 0.000 0.258 390 P C -0.785 176.424 177.300 -0.152 0.000 1.187 390 P CA 0.147 63.139 63.100 -0.181 0.000 0.767 390 P CB -0.180 31.525 31.700 0.009 0.000 0.770 391 F N 2.555 122.533 119.950 0.047 0.000 2.563 391 F HA 0.003 4.530 4.527 0.001 0.000 0.363 391 F C 1.428 177.247 175.800 0.032 0.000 1.123 391 F CA 0.809 58.828 58.000 0.032 0.000 1.307 391 F CB -0.284 38.717 39.000 0.001 0.000 1.115 391 F HN 0.421 nan 8.300 nan 0.000 0.592 392 D N 0.166 120.714 120.400 0.247 0.000 2.746 392 D HA -0.169 4.471 4.640 0.001 0.000 0.236 392 D C 0.819 177.182 176.300 0.106 0.000 1.129 392 D CA 1.279 55.366 54.000 0.144 0.000 0.691 392 D CB -1.491 39.378 40.800 0.115 0.000 1.077 392 D HN 0.755 nan 8.370 nan 0.000 0.432 393 T N -3.707 110.905 114.554 0.098 0.000 3.132 393 T HA 0.489 4.839 4.350 0.001 0.000 0.274 393 T C 1.327 176.068 174.700 0.067 0.000 1.011 393 T CA 0.675 62.821 62.100 0.075 0.000 0.899 393 T CB 1.046 69.957 68.868 0.071 0.000 1.089 393 T HN 0.660 nan 8.240 nan 0.000 0.543 394 G N 3.553 112.396 108.800 0.071 0.000 2.622 394 G HA2 -0.379 3.581 3.960 0.001 0.000 0.307 394 G HA3 -0.379 3.581 3.960 0.001 0.000 0.307 394 G C 0.811 175.747 174.900 0.062 0.000 1.226 394 G CA 0.626 45.764 45.100 0.063 0.000 0.997 394 G HN 1.158 nan 8.290 nan 0.000 0.551 395 I N -0.070 120.532 120.570 0.053 0.000 3.684 395 I HA 0.466 4.637 4.170 0.001 0.000 0.304 395 I C 1.096 177.244 176.117 0.052 0.000 1.278 395 I CA -0.236 61.095 61.300 0.051 0.000 1.272 395 I CB -0.332 37.693 38.000 0.041 0.000 1.029 395 I HN 0.265 nan 8.210 nan 0.000 0.458 396 L N 2.099 123.354 121.223 0.054 0.000 2.466 396 L HA 0.277 4.617 4.340 0.001 0.000 0.257 396 L C 0.551 177.464 176.870 0.073 0.000 1.189 396 L CA -0.377 54.494 54.840 0.053 0.000 0.813 396 L CB 0.074 42.162 42.059 0.049 0.000 1.118 396 L HN 0.345 nan 8.230 nan 0.000 0.471 397 N N -0.117 118.625 118.700 0.070 0.000 2.776 397 N HA -0.162 4.578 4.740 0.001 0.000 0.249 397 N C -0.138 175.462 175.510 0.151 0.000 1.111 397 N CA 0.961 54.076 53.050 0.108 0.000 0.711 397 N CB -1.077 37.513 38.487 0.173 0.000 1.065 397 N HN 0.735 nan 8.380 nan 0.000 0.556 398 A N 0.810 123.683 122.820 0.088 0.000 3.056 398 A HA 0.393 4.713 4.320 0.001 0.000 0.274 398 A C 1.659 179.261 177.584 0.029 0.000 1.661 398 A CA -0.480 51.616 52.037 0.098 0.000 1.363 398 A CB -0.363 18.679 19.000 0.069 0.000 1.139 398 A HN 0.336 nan 8.150 nan 0.000 0.598 399 L N 0.594 121.793 121.223 -0.039 0.000 2.079 399 L HA -0.056 4.284 4.340 0.001 0.000 0.210 399 L C 1.511 178.328 176.870 -0.088 0.000 1.081 399 L CA 1.667 56.394 54.840 -0.189 0.000 0.752 399 L CB -0.981 40.750 42.059 -0.546 0.000 0.896 399 L HN 0.784 nan 8.230 nan 0.000 0.433 400 T N -6.400 108.160 114.554 0.011 0.000 2.792 400 T HA 0.354 4.704 4.350 0.001 0.000 0.303 400 T C -2.490 172.261 174.700 0.084 0.000 1.310 400 T CA -1.272 60.848 62.100 0.034 0.000 1.007 400 T CB 1.791 70.678 68.868 0.031 0.000 1.335 400 T HN -0.347 nan 8.240 nan 0.000 0.504 401 P HA 0.092 nan 4.420 nan 0.000 0.230 401 P C 1.008 178.364 177.300 0.094 0.000 1.158 401 P CA 0.658 63.802 63.100 0.073 0.000 0.769 401 P CB 0.172 31.904 31.700 0.053 0.000 0.807 402 Q N -2.935 116.926 119.800 0.102 0.000 2.280 402 Q HA 0.139 4.479 4.340 0.001 0.000 0.228 402 Q C 1.554 177.634 176.000 0.133 0.000 0.857 402 Q CA -0.041 55.825 55.803 0.104 0.000 0.939 402 Q CB -0.658 28.113 28.738 0.055 0.000 1.114 402 Q HN 0.258 nan 8.270 nan 0.000 0.514 403 F N 3.187 123.143 119.950 0.010 0.000 2.063 403 F HA -0.258 4.269 4.527 0.001 0.000 0.298 403 F C 1.766 177.583 175.800 0.028 0.000 1.109 403 F CA 1.884 59.887 58.000 0.006 0.000 1.212 403 F CB 0.074 39.064 39.000 -0.017 0.000 0.973 403 F HN -0.086 nan 8.300 nan 0.000 0.480 404 K N -0.209 120.060 120.400 -0.218 0.000 2.211 404 K HA -0.175 4.146 4.320 0.001 0.000 0.203 404 K C 2.344 178.839 176.600 -0.176 0.000 1.050 404 K CA 1.277 57.355 56.287 -0.349 0.000 0.945 404 K CB -0.286 32.153 32.500 -0.101 0.000 0.732 404 K HN 0.336 nan 8.250 nan 0.000 0.451 405 R N 1.424 121.919 120.500 -0.009 0.000 2.057 405 R HA -0.037 4.304 4.340 0.001 0.000 0.229 405 R C 2.192 178.576 176.300 0.140 0.000 1.136 405 R CA 1.080 57.256 56.100 0.127 0.000 0.952 405 R CB -0.184 30.230 30.300 0.189 0.000 0.848 405 R HN 0.094 nan 8.270 nan 0.000 0.430 406 I N 0.901 121.546 120.570 0.124 0.000 2.226 406 I HA -0.258 3.913 4.170 0.001 0.000 0.245 406 I C 2.249 178.420 176.117 0.089 0.000 1.100 406 I CA 1.331 62.748 61.300 0.195 0.000 1.374 406 I CB -0.164 37.919 38.000 0.139 0.000 1.057 406 I HN 0.210 nan 8.210 nan 0.000 0.413 407 S N 0.741 116.377 115.700 -0.106 0.000 2.382 407 S HA -0.182 4.288 4.470 0.001 0.000 0.228 407 S C 2.241 176.817 174.600 -0.041 0.000 1.027 407 S CA 1.330 59.444 58.200 -0.145 0.000 0.991 407 S CB -0.366 62.534 63.200 -0.501 0.000 0.823 407 S HN 0.559 nan 8.310 nan 0.000 0.469 408 A N 1.124 123.919 122.820 -0.041 0.000 1.902 408 A HA -0.040 4.281 4.320 0.001 0.000 0.217 408 A C 2.343 179.960 177.584 0.056 0.000 1.181 408 A CA 1.500 53.629 52.037 0.154 0.000 0.623 408 A CB -0.847 18.387 19.000 0.391 0.000 0.818 408 A HN 0.347 nan 8.150 nan 0.000 0.443 409 V N -0.183 119.607 119.914 -0.207 0.000 2.270 409 V HA -0.210 3.910 4.120 0.001 0.000 0.245 409 V C 2.489 178.532 176.094 -0.085 0.000 1.043 409 V CA 1.735 63.760 62.300 -0.458 0.000 1.014 409 V CB -0.828 30.770 31.823 -0.375 0.000 0.645 409 V HN 0.456 nan 8.190 nan 0.000 0.447 410 L N 1.185 122.464 121.223 0.093 0.000 2.013 410 L HA -0.142 4.199 4.340 0.001 0.000 0.212 410 L C 2.572 179.630 176.870 0.313 0.000 1.073 410 L CA 2.497 57.457 54.840 0.200 0.000 0.753 410 L CB -1.849 40.372 42.059 0.270 0.000 0.890 410 L HN 0.390 nan 8.230 nan 0.000 0.432 411 G N -1.539 107.475 108.800 0.356 0.000 2.408 411 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 411 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 411 G C 1.288 176.491 174.900 0.506 0.000 1.150 411 G CA 0.730 46.129 45.100 0.497 0.000 0.776 411 G HN 0.337 nan 8.290 nan 0.000 0.542 412 D N -0.037 120.581 120.400 0.364 0.000 2.091 412 D HA -0.057 4.583 4.640 0.001 0.000 0.199 412 D C 2.365 178.854 176.300 0.315 0.000 0.980 412 D CA 0.483 54.702 54.000 0.364 0.000 0.831 412 D CB -0.344 40.671 40.800 0.359 0.000 0.987 412 D HN 0.222 nan 8.370 nan 0.000 0.460 413 L N 0.554 121.863 121.223 0.143 0.000 2.072 413 L HA 0.107 4.448 4.340 0.001 0.000 0.205 413 L C 2.071 179.017 176.870 0.127 0.000 1.079 413 L CA 1.979 56.879 54.840 0.101 0.000 0.752 413 L CB -0.898 41.096 42.059 -0.108 0.000 0.906 413 L HN 0.063 nan 8.230 nan 0.000 0.436 414 G N -2.054 106.756 108.800 0.017 0.000 2.448 414 G HA2 -0.121 3.839 3.960 0.001 0.000 0.218 414 G HA3 -0.121 3.839 3.960 0.001 0.000 0.218 414 G C 0.795 175.317 174.900 -0.629 0.000 1.135 414 G CA 1.177 46.036 45.100 -0.401 0.000 0.784 414 G HN 0.475 nan 8.290 nan 0.000 0.543 415 F N -1.244 118.801 119.950 0.157 0.000 1.835 415 F HA 0.189 4.716 4.527 0.001 0.000 0.231 415 F C 2.569 178.471 175.800 0.170 0.000 1.216 415 F CA 0.544 58.628 58.000 0.139 0.000 1.310 415 F CB -0.553 38.532 39.000 0.142 0.000 1.827 415 F HN -0.141 nan 8.300 nan 0.000 0.352 416 T N 2.439 117.283 114.554 0.483 0.000 2.635 416 T HA -0.145 4.206 4.350 0.001 0.000 0.267 416 T C 1.994 176.920 174.700 0.376 0.000 1.040 416 T CA 1.816 64.150 62.100 0.389 0.000 1.156 416 T CB -0.530 68.589 68.868 0.418 0.000 0.863 416 T HN 0.101 nan 8.240 nan 0.000 0.430 417 L N 0.283 121.777 121.223 0.453 0.000 2.375 417 L HA 0.199 4.539 4.340 0.001 0.000 0.215 417 L C 2.977 180.103 176.870 0.426 0.000 1.108 417 L CA 0.462 55.632 54.840 0.550 0.000 0.830 417 L CB -0.594 41.916 42.059 0.751 0.000 0.959 417 L HN 0.247 nan 8.230 nan 0.000 0.457 418 A N 0.659 123.675 122.820 0.328 0.000 1.902 418 A HA -0.238 4.082 4.320 0.001 0.000 0.217 418 A C 2.434 180.063 177.584 0.074 0.000 1.181 418 A CA 1.642 53.726 52.037 0.078 0.000 0.623 418 A CB -0.521 18.570 19.000 0.151 0.000 0.818 418 A HN 0.357 nan 8.150 nan 0.000 0.443 419 R N -0.356 120.223 120.500 0.132 0.000 2.083 419 R HA -0.172 4.168 4.340 0.001 0.000 0.237 419 R C 2.401 178.774 176.300 0.122 0.000 1.137 419 R CA 1.800 57.962 56.100 0.103 0.000 0.951 419 R CB -0.354 29.990 30.300 0.073 0.000 0.851 419 R HN 0.529 nan 8.270 nan 0.000 0.434 420 R N -0.717 119.872 120.500 0.148 0.000 2.096 420 R HA -0.216 4.124 4.340 0.001 0.000 0.235 420 R C 2.139 178.570 176.300 0.218 0.000 1.127 420 R CA 1.822 57.995 56.100 0.122 0.000 0.968 420 R CB -0.470 29.895 30.300 0.108 0.000 0.861 420 R HN 0.354 nan 8.270 nan 0.000 0.440 421 Y N 0.143 120.554 120.300 0.184 0.000 2.181 421 Y HA -0.260 4.290 4.550 0.001 0.000 0.288 421 Y C 1.862 177.884 175.900 0.203 0.000 1.146 421 Y CA 1.924 60.134 58.100 0.184 0.000 1.164 421 Y CB -0.458 37.849 38.460 -0.256 0.000 0.982 421 Y HN 0.133 nan 8.280 nan 0.000 0.515 422 F N 0.179 120.219 119.950 0.152 0.000 2.075 422 F HA -0.237 4.290 4.527 0.001 0.000 0.297 422 F C 1.909 177.713 175.800 0.006 0.000 1.113 422 F CA 1.802 59.823 58.000 0.034 0.000 1.218 422 F CB -0.794 38.131 39.000 -0.124 0.000 0.984 422 F HN 0.015 nan 8.300 nan 0.000 0.472 423 L N 0.271 121.376 121.223 -0.196 0.000 2.079 423 L HA -0.271 4.069 4.340 0.001 0.000 0.210 423 L C 1.954 178.705 176.870 -0.197 0.000 1.081 423 L CA 1.961 56.596 54.840 -0.343 0.000 0.752 423 L CB -0.926 40.820 42.059 -0.522 0.000 0.896 423 L HN 0.255 nan 8.230 nan 0.000 0.433 424 N N -1.553 117.070 118.700 -0.130 0.000 2.459 424 N HA -0.130 4.611 4.740 0.001 0.000 0.181 424 N C 1.274 176.531 175.510 -0.422 0.000 1.046 424 N CA 0.504 53.420 53.050 -0.223 0.000 0.904 424 N CB 0.101 38.427 38.487 -0.268 0.000 0.964 424 N HN 0.432 nan 8.380 nan 0.000 0.444 425 H N -2.120 116.817 119.070 -0.221 0.000 2.855 425 H HA 0.119 4.675 4.556 0.001 0.000 0.259 425 H C -0.574 174.683 175.328 -0.118 0.000 0.972 425 H CA -0.324 55.632 56.048 -0.153 0.000 1.213 425 H CB 0.241 29.924 29.762 -0.131 0.000 1.451 425 H HN 0.135 nan 8.280 nan 0.000 0.484 426 Y N 2.677 122.735 120.300 -0.404 0.000 2.436 426 Y HA 0.122 4.672 4.550 0.001 0.000 0.336 426 Y C 0.897 176.603 175.900 -0.323 0.000 1.049 426 Y CA 0.039 57.774 58.100 -0.608 0.000 1.294 426 Y CB 0.727 38.384 38.460 -1.338 0.000 1.179 426 Y HN 0.136 nan 8.280 nan 0.000 0.520 427 T N 0.241 114.450 114.554 -0.574 0.000 3.145 427 T HA 0.197 4.547 4.350 0.001 0.000 0.281 427 T C 1.637 176.036 174.700 -0.501 0.000 1.003 427 T CA 0.188 62.062 62.100 -0.378 0.000 0.901 427 T CB 0.075 68.867 68.868 -0.127 0.000 1.112 427 T HN 0.720 nan 8.240 nan 0.000 0.535 428 G N 1.229 109.298 108.800 -1.218 0.000 2.450 428 G HA2 0.415 4.376 3.960 0.001 0.000 0.220 428 G HA3 0.415 4.376 3.960 0.001 0.000 0.220 428 G C 0.742 175.510 174.900 -0.221 0.000 1.130 428 G CA 0.501 45.187 45.100 -0.689 0.000 0.760 428 G HN 0.980 nan 8.290 nan 0.000 0.557 429 G N -2.241 106.482 108.800 -0.129 0.000 2.489 429 G HA2 0.431 4.392 3.960 0.001 0.000 0.305 429 G HA3 0.431 4.392 3.960 0.001 0.000 0.305 429 G C -0.987 173.986 174.900 0.121 0.000 1.311 429 G CA -0.185 44.967 45.100 0.088 0.000 0.813 429 G HN 0.107 nan 8.290 nan 0.000 0.480 430 T N 1.058 115.687 114.554 0.125 0.000 2.930 430 T HA 0.428 4.778 4.350 0.001 0.000 0.306 430 T C -0.012 174.713 174.700 0.042 0.000 1.045 430 T CA 0.457 62.584 62.100 0.044 0.000 1.134 430 T CB 0.577 69.484 68.868 0.065 0.000 0.961 430 T HN 0.428 nan 8.240 nan 0.000 0.545 431 K N 1.812 122.130 120.400 -0.136 0.000 2.259 431 K HA 0.580 4.900 4.320 0.001 0.000 0.252 431 K C -1.409 174.964 176.600 -0.378 0.000 0.936 431 K CA -0.559 55.660 56.287 -0.113 0.000 0.810 431 K CB 1.574 34.063 32.500 -0.019 0.000 1.143 431 K HN 0.510 nan 8.250 nan 0.000 0.427 432 Y N -0.222 120.044 120.300 -0.056 0.000 2.442 432 Y HA 0.542 5.092 4.550 0.001 0.000 0.344 432 Y C -0.104 175.908 175.900 0.188 0.000 0.976 432 Y CA -0.714 57.338 58.100 -0.080 0.000 1.040 432 Y CB 2.674 40.678 38.460 -0.761 0.000 1.228 432 Y HN 0.489 nan 8.280 nan 0.000 0.451 433 S N 3.400 119.522 115.700 0.702 0.000 2.549 433 S HA 0.831 5.301 4.470 0.001 0.000 0.280 433 S C -1.473 173.531 174.600 0.674 0.000 1.109 433 S CA -0.593 57.915 58.200 0.514 0.000 0.905 433 S CB 0.588 63.873 63.200 0.141 0.000 1.081 433 S HN 0.506 nan 8.310 nan 0.000 0.477 434 F N 2.249 122.431 119.950 0.386 0.000 2.620 434 F HA 0.928 5.456 4.527 0.001 0.000 0.320 434 F C -1.570 174.304 175.800 0.125 0.000 1.069 434 F CA -1.317 56.755 58.000 0.121 0.000 0.953 434 F CB 1.207 40.212 39.000 0.009 0.000 1.322 434 F HN 0.460 nan 8.300 nan 0.000 0.479 435 L N 2.002 123.345 121.223 0.200 0.000 2.476 435 L HA 0.587 4.928 4.340 0.001 0.000 0.269 435 L C -0.988 175.984 176.870 0.170 0.000 0.965 435 L CA -0.192 54.729 54.840 0.135 0.000 0.845 435 L CB 1.889 44.005 42.059 0.095 0.000 1.259 435 L HN 0.887 nan 8.230 nan 0.000 0.403 436 S N 3.777 119.624 115.700 0.245 0.000 2.480 436 S HA 0.538 5.008 4.470 0.001 0.000 0.286 436 S C 0.218 174.891 174.600 0.121 0.000 1.180 436 S CA -0.418 57.892 58.200 0.184 0.000 1.075 436 S CB 0.615 63.989 63.200 0.290 0.000 0.996 436 S HN 0.735 nan 8.310 nan 0.000 0.487 437 K N 3.524 123.979 120.400 0.090 0.000 2.592 437 K HA 0.142 4.462 4.320 0.001 0.000 0.203 437 K C 1.319 177.965 176.600 0.077 0.000 1.070 437 K CA -0.201 56.145 56.287 0.097 0.000 1.062 437 K CB 0.380 32.950 32.500 0.117 0.000 0.814 437 K HN 0.682 nan 8.250 nan 0.000 0.502 438 Q N 0.592 120.419 119.800 0.045 0.000 2.197 438 Q HA -0.121 4.219 4.340 0.001 0.000 0.207 438 Q C 0.681 176.684 176.000 0.006 0.000 0.984 438 Q CA 1.286 57.076 55.803 -0.022 0.000 0.869 438 Q CB 0.240 28.908 28.738 -0.117 0.000 0.906 438 Q HN 0.156 nan 8.270 nan 0.000 0.426 439 L N 0.752 122.016 121.223 0.069 0.000 2.791 439 L HA 0.232 4.573 4.340 0.001 0.000 0.239 439 L C -0.036 176.904 176.870 0.116 0.000 1.203 439 L CA 0.259 55.166 54.840 0.112 0.000 1.002 439 L CB 0.388 42.553 42.059 0.176 0.000 1.295 439 L HN -0.110 nan 8.230 nan 0.000 0.504 440 S N 0.483 116.239 115.700 0.094 0.000 2.563 440 S HA 0.326 4.796 4.470 0.001 0.000 0.294 440 S C 1.398 176.047 174.600 0.081 0.000 1.279 440 S CA 0.938 59.193 58.200 0.092 0.000 1.069 440 S CB 0.246 63.492 63.200 0.076 0.000 0.828 440 S HN 0.711 nan 8.310 nan 0.000 0.497 441 G N 1.856 110.707 108.800 0.085 0.000 2.232 441 G HA2 -0.219 3.741 3.960 0.001 0.000 0.226 441 G HA3 -0.219 3.741 3.960 0.001 0.000 0.226 441 G C -0.055 174.893 174.900 0.080 0.000 0.996 441 G CA -0.172 44.971 45.100 0.072 0.000 0.626 441 G HN 0.675 nan 8.290 nan 0.000 0.509 442 L N 3.408 124.695 121.223 0.106 0.000 2.500 442 L HA 0.532 4.872 4.340 0.001 0.000 0.272 442 L C -1.638 175.289 176.870 0.096 0.000 1.149 442 L CA -1.435 53.474 54.840 0.115 0.000 0.897 442 L CB 0.172 42.338 42.059 0.178 0.000 1.178 442 L HN -0.020 nan 8.230 nan 0.000 0.473 443 P HA 0.091 nan 4.420 nan 0.000 0.267 443 P C 0.720 178.046 177.300 0.043 0.000 1.200 443 P CA 0.131 63.259 63.100 0.046 0.000 0.772 443 P CB 0.696 32.408 31.700 0.021 0.000 0.855 444 V N 0.739 120.688 119.914 0.058 0.000 0.489 444 V HA -0.355 3.765 4.120 0.001 0.000 0.092 444 V C 1.741 177.930 176.094 0.160 0.000 2.367 444 V CA 2.384 64.731 62.300 0.080 0.000 3.630 444 V CB -1.994 29.806 31.823 -0.039 0.000 0.914 444 V HN 0.536 nan 8.190 nan 0.000 0.957 445 L N -0.192 121.092 121.223 0.102 0.000 2.357 445 L HA 0.556 4.897 4.340 0.001 0.000 0.211 445 L C 1.667 178.676 176.870 0.232 0.000 1.075 445 L CA 0.953 55.880 54.840 0.146 0.000 0.830 445 L CB -0.292 41.744 42.059 -0.038 0.000 0.996 445 L HN 0.928 nan 8.230 nan 0.000 0.467 446 G N 0.610 109.538 108.800 0.214 0.000 2.552 446 G HA2 -0.300 3.661 3.960 0.001 0.000 0.265 446 G HA3 -0.300 3.661 3.960 0.001 0.000 0.265 446 G C 0.093 175.172 174.900 0.298 0.000 1.234 446 G CA -0.010 45.216 45.100 0.210 0.000 0.944 446 G HN 0.121 nan 8.290 nan 0.000 0.568 447 T N 2.464 117.148 114.554 0.217 0.000 3.455 447 T HA 0.478 4.828 4.350 0.001 0.000 0.286 447 T C 0.446 175.226 174.700 0.134 0.000 1.157 447 T CA 0.704 62.898 62.100 0.157 0.000 1.090 447 T CB -0.950 67.992 68.868 0.123 0.000 1.112 447 T HN 0.790 nan 8.240 nan 0.000 0.779 448 F N 1.838 121.845 119.950 0.095 0.000 2.399 448 F HA 0.398 4.926 4.527 0.001 0.000 0.313 448 F C 0.988 176.804 175.800 0.028 0.000 1.202 448 F CA -1.678 56.371 58.000 0.080 0.000 1.192 448 F CB 0.182 39.239 39.000 0.096 0.000 1.256 448 F HN 0.492 nan 8.300 nan 0.000 0.558 449 H N -0.344 118.731 119.070 0.008 0.000 2.928 449 H HA 0.162 4.718 4.556 0.001 0.000 0.338 449 H C 0.466 175.691 175.328 -0.172 0.000 1.047 449 H CA 0.472 56.452 56.048 -0.114 0.000 1.435 449 H CB 0.973 30.699 29.762 -0.061 0.000 1.428 449 H HN 0.931 nan 8.280 nan 0.000 0.590 450 S N 1.508 117.049 115.700 -0.264 0.000 2.596 450 S HA -0.346 4.125 4.470 0.001 0.000 0.260 450 S C 1.455 175.856 174.600 -0.332 0.000 1.282 450 S CA 1.317 59.368 58.200 -0.249 0.000 1.357 450 S CB -1.799 61.227 63.200 -0.291 0.000 1.674 450 S HN 0.975 nan 8.310 nan 0.000 0.641 451 N N 2.860 121.211 118.700 -0.582 0.000 2.272 451 N HA -0.165 4.576 4.740 0.001 0.000 0.185 451 N C 1.060 176.472 175.510 -0.163 0.000 1.014 451 N CA 1.752 54.511 53.050 -0.485 0.000 0.870 451 N CB -0.548 37.568 38.487 -0.619 0.000 0.975 451 N HN 0.705 nan 8.380 nan 0.000 0.433 452 D N 0.756 121.059 120.400 -0.163 0.000 2.218 452 D HA -0.165 4.475 4.640 0.001 0.000 0.204 452 D C 1.719 177.878 176.300 -0.235 0.000 0.976 452 D CA 0.617 54.416 54.000 -0.336 0.000 0.853 452 D CB -0.236 40.085 40.800 -0.798 0.000 0.939 452 D HN 0.290 nan 8.370 nan 0.000 0.481 453 I N 1.239 121.753 120.570 -0.094 0.000 2.286 453 I HA -0.194 3.976 4.170 0.001 0.000 0.248 453 I C 2.680 178.820 176.117 0.038 0.000 1.115 453 I CA 0.397 61.721 61.300 0.039 0.000 1.392 453 I CB -1.009 37.094 38.000 0.172 0.000 1.065 453 I HN -0.030 nan 8.210 nan 0.000 0.418 454 V N 0.454 120.297 119.914 -0.119 0.000 2.295 454 V HA -0.256 3.864 4.120 0.001 0.000 0.246 454 V C 2.140 178.078 176.094 -0.261 0.000 1.049 454 V CA 1.734 63.885 62.300 -0.248 0.000 1.024 454 V CB -0.845 30.580 31.823 -0.662 0.000 0.648 454 V HN 0.183 nan 8.190 nan 0.000 0.447 455 F N -0.267 119.749 119.950 0.110 0.000 2.811 455 F HA 0.092 4.619 4.527 0.001 0.000 0.301 455 F C 2.209 178.119 175.800 0.183 0.000 1.151 455 F CA 0.810 58.906 58.000 0.159 0.000 1.412 455 F CB -0.353 38.783 39.000 0.227 0.000 1.113 455 F HN 0.188 nan 8.300 nan 0.000 0.579 456 Q N -0.428 119.502 119.800 0.216 0.000 2.423 456 Q HA -0.005 4.336 4.340 0.001 0.000 0.231 456 Q C 0.742 176.760 176.000 0.029 0.000 0.894 456 Q CA 0.801 56.701 55.803 0.161 0.000 0.938 456 Q CB 0.480 29.292 28.738 0.123 0.000 1.079 456 Q HN 0.160 nan 8.270 nan 0.000 0.552 457 D N -1.408 118.963 120.400 -0.049 0.000 2.489 457 D HA 0.078 4.718 4.640 0.001 0.000 0.231 457 D C 0.385 176.401 176.300 -0.473 0.000 1.114 457 D CA 0.346 54.175 54.000 -0.285 0.000 0.842 457 D CB 0.467 40.996 40.800 -0.451 0.000 1.133 457 D HN 0.228 nan 8.370 nan 0.000 0.506 458 Y N 0.002 120.243 120.300 -0.098 0.000 2.769 458 Y HA 0.372 4.923 4.550 0.001 0.000 0.266 458 Y C 0.898 176.753 175.900 -0.075 0.000 1.091 458 Y CA -0.030 58.006 58.100 -0.107 0.000 1.272 458 Y CB 1.103 39.468 38.460 -0.158 0.000 1.469 458 Y HN -0.281 nan 8.280 nan 0.000 0.475 459 L N 0.933 122.210 121.223 0.090 0.000 2.323 459 L HA 0.411 4.752 4.340 0.001 0.000 0.265 459 L C -1.093 175.900 176.870 0.205 0.000 1.012 459 L CA -1.072 53.827 54.840 0.099 0.000 0.820 459 L CB 1.972 44.058 42.059 0.046 0.000 1.334 459 L HN -0.086 nan 8.230 nan 0.000 0.427 460 L N 1.129 122.469 121.223 0.196 0.000 2.307 460 L HA 0.763 5.103 4.340 0.001 0.000 0.282 460 L C 0.360 177.360 176.870 0.217 0.000 1.051 460 L CA 0.193 55.141 54.840 0.179 0.000 0.804 460 L CB 1.001 43.111 42.059 0.084 0.000 1.197 460 L HN 0.798 nan 8.230 nan 0.000 0.431 461 G N 0.555 109.428 108.800 0.123 0.000 2.663 461 G HA2 0.355 4.316 3.960 0.001 0.000 0.299 461 G HA3 0.355 4.316 3.960 0.001 0.000 0.299 461 G C 0.485 175.262 174.900 -0.205 0.000 1.372 461 G CA 0.326 45.361 45.100 -0.107 0.000 0.781 461 G HN 0.518 nan 8.290 nan 0.000 0.491 462 S N -1.023 114.511 115.700 -0.275 0.000 2.400 462 S HA -0.051 4.419 4.470 0.001 0.000 0.232 462 S C 2.391 176.787 174.600 -0.339 0.000 1.025 462 S CA 2.032 60.084 58.200 -0.248 0.000 0.993 462 S CB -0.589 62.485 63.200 -0.210 0.000 0.808 462 S HN 1.369 nan 8.310 nan 0.000 0.478 463 G N 1.366 109.897 108.800 -0.448 0.000 2.432 463 G HA2 -0.118 3.843 3.960 0.001 0.000 0.219 463 G HA3 -0.118 3.843 3.960 0.001 0.000 0.219 463 G C 1.512 175.992 174.900 -0.701 0.000 1.135 463 G CA 0.877 45.593 45.100 -0.641 0.000 0.767 463 G HN 0.590 nan 8.290 nan 0.000 0.550 464 S N 0.481 116.031 115.700 -0.251 0.000 2.419 464 S HA -0.096 4.374 4.470 0.001 0.000 0.235 464 S C 2.139 176.598 174.600 -0.236 0.000 1.019 464 S CA 0.632 58.768 58.200 -0.107 0.000 0.982 464 S CB -0.187 63.025 63.200 0.019 0.000 0.789 464 S HN 0.171 nan 8.310 nan 0.000 0.490 465 L N 1.070 122.122 121.223 -0.285 0.000 2.127 465 L HA -0.054 4.286 4.340 0.001 0.000 0.211 465 L C 1.823 178.490 176.870 -0.339 0.000 1.089 465 L CA 1.426 56.115 54.840 -0.252 0.000 0.757 465 L CB -0.664 41.259 42.059 -0.228 0.000 0.899 465 L HN 0.314 nan 8.230 nan 0.000 0.434 466 I N -2.680 117.533 120.570 -0.594 0.000 2.685 466 I HA -0.128 4.042 4.170 0.001 0.000 0.251 466 I C 2.334 177.797 176.117 -1.090 0.000 1.102 466 I CA 0.678 61.520 61.300 -0.764 0.000 1.442 466 I CB -1.302 36.088 38.000 -1.016 0.000 1.194 466 I HN 0.124 nan 8.210 nan 0.000 0.448 467 Y N 1.861 121.661 120.300 -0.833 0.000 2.315 467 Y HA -0.154 4.397 4.550 0.001 0.000 0.288 467 Y C 2.123 177.782 175.900 -0.401 0.000 1.154 467 Y CA 0.909 58.533 58.100 -0.793 0.000 1.229 467 Y CB -1.340 36.976 38.460 -0.239 0.000 0.980 467 Y HN 0.384 nan 8.280 nan 0.000 0.540 468 N N -1.092 117.518 118.700 -0.150 0.000 2.831 468 N HA -0.020 4.720 4.740 0.001 0.000 0.233 468 N C 1.289 176.782 175.510 -0.027 0.000 1.031 468 N CA 0.397 53.439 53.050 -0.013 0.000 1.198 468 N CB -0.229 38.263 38.487 0.008 0.000 1.595 468 N HN -0.013 nan 8.380 nan 0.000 0.588 469 N N 1.735 120.397 118.700 -0.063 0.000 2.011 469 N HA -0.208 4.532 4.740 0.001 0.000 0.199 469 N C 1.628 177.145 175.510 0.011 0.000 1.047 469 N CA 1.939 54.972 53.050 -0.028 0.000 0.863 469 N CB -0.597 37.862 38.487 -0.047 0.000 1.056 469 N HN 0.289 nan 8.380 nan 0.000 0.427 470 A N 0.208 123.018 122.820 -0.018 0.000 1.908 470 A HA -0.108 4.212 4.320 0.001 0.000 0.218 470 A C 1.865 179.599 177.584 0.251 0.000 1.181 470 A CA 1.175 53.272 52.037 0.101 0.000 0.627 470 A CB -0.810 18.296 19.000 0.176 0.000 0.818 470 A HN 0.215 nan 8.150 nan 0.000 0.445 471 F N -0.088 119.881 119.950 0.031 0.000 2.171 471 F HA -0.081 4.446 4.527 0.001 0.000 0.300 471 F C 2.196 178.004 175.800 0.012 0.000 1.090 471 F CA 0.356 58.368 58.000 0.021 0.000 1.293 471 F CB -1.015 37.987 39.000 0.003 0.000 1.013 471 F HN 0.139 nan 8.300 nan 0.000 0.486 472 I N -0.179 120.503 120.570 0.187 0.000 2.252 472 I HA -0.270 3.901 4.170 0.001 0.000 0.245 472 I C 2.585 178.744 176.117 0.069 0.000 1.102 472 I CA 1.232 62.583 61.300 0.084 0.000 1.385 472 I CB -0.687 37.349 38.000 0.059 0.000 1.064 472 I HN 0.024 nan 8.210 nan 0.000 0.414 473 A N 0.373 123.245 122.820 0.086 0.000 1.930 473 A HA -0.233 4.087 4.320 0.001 0.000 0.217 473 A C 2.204 179.823 177.584 0.059 0.000 1.175 473 A CA 1.313 53.385 52.037 0.057 0.000 0.627 473 A CB -0.843 18.189 19.000 0.054 0.000 0.815 473 A HN 0.428 nan 8.150 nan 0.000 0.443 474 F N 0.947 120.857 119.950 -0.066 0.000 2.113 474 F HA -0.007 4.521 4.527 0.001 0.000 0.297 474 F C 2.529 178.280 175.800 -0.081 0.000 1.103 474 F CA 1.064 58.995 58.000 -0.115 0.000 1.248 474 F CB -0.547 38.362 39.000 -0.151 0.000 0.999 474 F HN 0.231 nan 8.300 nan 0.000 0.475 475 A N -0.953 121.841 122.820 -0.045 0.000 2.019 475 A HA -0.144 4.176 4.320 0.001 0.000 0.219 475 A C 2.136 179.639 177.584 -0.135 0.000 1.164 475 A CA 2.235 54.191 52.037 -0.135 0.000 0.644 475 A CB -1.236 17.715 19.000 -0.082 0.000 0.805 475 A HN 0.459 nan 8.150 nan 0.000 0.449 476 T N -0.562 113.939 114.554 -0.089 0.000 2.901 476 T HA -0.009 4.341 4.350 0.001 0.000 0.252 476 T C 0.979 175.627 174.700 -0.086 0.000 1.035 476 T CA 1.262 63.322 62.100 -0.066 0.000 1.142 476 T CB -0.101 68.750 68.868 -0.027 0.000 0.869 476 T HN 0.500 nan 8.240 nan 0.000 0.442 477 D N 0.337 120.677 120.400 -0.099 0.000 2.469 477 D HA 0.296 4.936 4.640 0.001 0.000 0.213 477 D C 0.703 176.918 176.300 -0.141 0.000 1.135 477 D CA 0.027 53.973 54.000 -0.090 0.000 0.834 477 D CB 0.712 41.487 40.800 -0.042 0.000 1.009 477 D HN 0.217 nan 8.370 nan 0.000 0.507 478 L N 0.958 122.004 121.223 -0.296 0.000 4.291 478 L HA -0.201 4.139 4.340 0.001 0.000 0.413 478 L C -0.548 176.235 176.870 -0.144 0.000 1.162 478 L CA 0.560 55.111 54.840 -0.482 0.000 0.961 478 L CB -1.305 40.574 42.059 -0.299 0.000 2.095 478 L HN 0.054 nan 8.230 nan 0.000 0.838 479 D N -0.544 119.836 120.400 -0.033 0.000 2.613 479 D HA 0.286 4.926 4.640 0.001 0.000 0.230 479 D C -1.703 174.564 176.300 -0.054 0.000 1.365 479 D CA -1.336 52.661 54.000 -0.006 0.000 0.976 479 D CB 1.886 42.704 40.800 0.030 0.000 1.415 479 D HN -0.208 nan 8.370 nan 0.000 0.589 480 P HA -0.081 nan 4.420 nan 0.000 0.222 480 P C 0.707 177.990 177.300 -0.028 0.000 1.147 480 P CA 0.477 63.475 63.100 -0.169 0.000 0.790 480 P CB 0.513 31.881 31.700 -0.553 0.000 0.780 481 N N -0.095 118.586 118.700 -0.031 0.000 2.512 481 N HA -0.055 4.686 4.740 0.001 0.000 0.183 481 N C 1.535 177.075 175.510 0.050 0.000 1.073 481 N CA 1.468 54.554 53.050 0.060 0.000 0.911 481 N CB -0.579 37.966 38.487 0.096 0.000 0.964 481 N HN 0.345 nan 8.380 nan 0.000 0.447 482 T N -2.366 112.206 114.554 0.031 0.000 3.085 482 T HA 0.161 4.512 4.350 0.001 0.000 0.263 482 T C 1.852 176.569 174.700 0.029 0.000 1.127 482 T CA 0.560 62.677 62.100 0.028 0.000 1.103 482 T CB -0.006 68.872 68.868 0.017 0.000 0.921 482 T HN 0.096 nan 8.240 nan 0.000 0.510 483 A N 1.467 124.309 122.820 0.036 0.000 2.121 483 A HA 0.452 4.773 4.320 0.001 0.000 0.218 483 A C 1.998 179.597 177.584 0.026 0.000 1.154 483 A CA 0.681 52.737 52.037 0.032 0.000 0.679 483 A CB -1.358 17.665 19.000 0.038 0.000 0.795 483 A HN 1.469 nan 8.150 nan 0.000 0.458 484 G N -0.933 107.887 108.800 0.033 0.000 2.289 484 G HA2 -0.196 3.764 3.960 0.001 0.000 0.280 484 G HA3 -0.196 3.764 3.960 0.001 0.000 0.280 484 G C -0.088 174.826 174.900 0.022 0.000 1.089 484 G CA 0.336 45.452 45.100 0.027 0.000 0.939 484 G HN 0.469 nan 8.290 nan 0.000 0.499 485 L N -0.407 120.834 121.223 0.031 0.000 2.439 485 L HA 0.374 4.714 4.340 0.001 0.000 0.259 485 L C 1.866 178.749 176.870 0.021 0.000 1.129 485 L CA -1.415 53.435 54.840 0.016 0.000 0.803 485 L CB 0.508 42.577 42.059 0.017 0.000 1.161 485 L HN -0.021 nan 8.230 nan 0.000 0.462 486 L N 1.439 122.667 121.223 0.008 0.000 2.179 486 L HA 0.044 4.385 4.340 0.001 0.000 0.208 486 L C 0.604 177.487 176.870 0.022 0.000 1.096 486 L CA 1.020 55.867 54.840 0.013 0.000 0.779 486 L CB -0.506 41.556 42.059 0.004 0.000 0.922 486 L HN 0.276 nan 8.230 nan 0.000 0.443 487 V N 1.380 121.303 119.914 0.015 0.000 2.406 487 V HA 0.144 4.264 4.120 0.001 0.000 0.272 487 V C 0.469 176.597 176.094 0.056 0.000 1.043 487 V CA -1.017 61.296 62.300 0.022 0.000 0.915 487 V CB 1.242 33.058 31.823 -0.012 0.000 0.988 487 V HN 0.204 nan 8.190 nan 0.000 0.466 488 K N 5.343 125.795 120.400 0.086 0.000 2.368 488 K HA 0.041 4.361 4.320 0.001 0.000 0.282 488 K C -0.579 176.155 176.600 0.223 0.000 1.035 488 K CA -0.167 56.209 56.287 0.148 0.000 0.973 488 K CB 0.416 32.993 32.500 0.128 0.000 0.957 488 K HN 0.650 nan 8.250 nan 0.000 0.474 489 W N 8.933 130.288 121.300 0.092 0.000 2.357 489 W HA 0.279 4.940 4.660 0.001 0.000 0.317 489 W C -2.470 174.186 176.519 0.229 0.000 1.101 489 W CA -2.797 54.636 57.345 0.147 0.000 1.380 489 W CB 0.484 30.025 29.460 0.135 0.000 1.266 489 W HN 0.583 nan 8.180 nan 0.000 0.419 490 P HA 0.063 nan 4.420 nan 0.000 0.278 490 P C -0.425 177.089 177.300 0.357 0.000 1.238 490 P CA -0.014 63.309 63.100 0.372 0.000 0.794 490 P CB 1.385 33.215 31.700 0.217 0.000 0.955 491 E N 1.660 121.927 120.200 0.111 0.000 2.373 491 E HA 0.013 4.364 4.350 0.001 0.000 0.267 491 E C -1.183 175.418 176.600 0.001 0.000 1.032 491 E CA -0.385 55.930 56.400 -0.142 0.000 0.889 491 E CB 0.236 29.834 29.700 -0.171 0.000 0.984 491 E HN 0.352 nan 8.360 nan 0.000 0.425 492 Y N 3.557 123.775 120.300 -0.137 0.000 2.328 492 Y HA 0.158 4.709 4.550 0.001 0.000 0.337 492 Y C 0.832 176.679 175.900 -0.089 0.000 1.008 492 Y CA 0.003 58.072 58.100 -0.051 0.000 1.129 492 Y CB 1.353 39.813 38.460 0.001 0.000 1.185 492 Y HN 0.638 nan 8.280 nan 0.000 0.476 493 T N -0.187 114.349 114.554 -0.030 0.000 3.071 493 T HA 0.307 4.658 4.350 0.001 0.000 0.239 493 T C 0.276 174.995 174.700 0.031 0.000 0.997 493 T CA 0.581 62.685 62.100 0.007 0.000 1.134 493 T CB -0.285 68.542 68.868 -0.069 0.000 0.928 493 T HN 0.614 nan 8.240 nan 0.000 0.453 494 S N 0.327 115.930 115.700 -0.162 0.000 2.587 494 S HA 0.463 4.934 4.470 0.001 0.000 0.269 494 S C 0.715 175.137 174.600 -0.297 0.000 1.154 494 S CA 0.047 58.199 58.200 -0.081 0.000 0.824 494 S CB 1.223 64.361 63.200 -0.103 0.000 1.118 494 S HN 0.464 nan 8.310 nan 0.000 0.462 495 S N 0.881 116.507 115.700 -0.124 0.000 2.515 495 S HA 0.040 4.510 4.470 0.001 0.000 0.231 495 S C 1.120 175.593 174.600 -0.212 0.000 0.987 495 S CA 0.872 58.963 58.200 -0.181 0.000 0.936 495 S CB -0.587 62.525 63.200 -0.147 0.000 0.766 495 S HN 0.689 nan 8.310 nan 0.000 0.528 496 S N 1.646 117.235 115.700 -0.184 0.000 2.556 496 S HA 0.121 4.591 4.470 0.001 0.000 0.216 496 S C 0.711 175.226 174.600 -0.142 0.000 0.970 496 S CA -0.534 57.577 58.200 -0.149 0.000 0.912 496 S CB -0.165 62.962 63.200 -0.121 0.000 0.790 496 S HN 0.853 nan 8.310 nan 0.000 0.504 497 Q N 2.135 121.825 119.800 -0.183 0.000 2.421 497 Q HA 0.266 4.606 4.340 0.001 0.000 0.255 497 Q C -0.261 175.660 176.000 -0.132 0.000 1.013 497 Q CA -0.234 55.472 55.803 -0.161 0.000 0.895 497 Q CB 0.317 28.931 28.738 -0.207 0.000 1.271 497 Q HN 0.239 nan 8.270 nan 0.000 0.460 498 S N 0.906 116.549 115.700 -0.095 0.000 2.562 498 S HA 0.692 5.162 4.470 0.001 0.000 0.275 498 S C 0.407 174.968 174.600 -0.066 0.000 1.281 498 S CA -0.063 58.096 58.200 -0.069 0.000 1.045 498 S CB 0.998 64.169 63.200 -0.050 0.000 0.962 498 S HN 1.397 nan 8.310 nan 0.000 0.503 499 G N 2.227 110.997 108.800 -0.050 0.000 2.690 499 G HA2 -0.162 3.799 3.960 0.001 0.000 0.686 499 G HA3 -0.162 3.799 3.960 0.001 0.000 0.686 499 G C -0.838 174.035 174.900 -0.045 0.000 1.277 499 G CA -0.986 44.093 45.100 -0.035 0.000 0.799 499 G HN 0.967 nan 8.290 nan 0.000 0.613 500 N N 0.806 119.496 118.700 -0.015 0.000 2.458 500 N HA 0.290 5.030 4.740 0.001 0.000 0.258 500 N C 0.989 176.489 175.510 -0.016 0.000 1.219 500 N CA 0.473 53.519 53.050 -0.007 0.000 0.902 500 N CB 0.381 38.880 38.487 0.020 0.000 1.076 500 N HN 0.734 nan 8.380 nan 0.000 0.455 501 N N 1.952 120.634 118.700 -0.029 0.000 2.118 501 N HA 0.122 4.862 4.740 0.001 0.000 0.226 501 N C -0.981 174.639 175.510 0.184 0.000 1.305 501 N CA 0.025 53.060 53.050 -0.024 0.000 0.890 501 N CB 0.600 38.860 38.487 -0.379 0.000 1.118 501 N HN 0.307 nan 8.380 nan 0.000 0.511 502 L N 0.970 122.276 121.223 0.138 0.000 2.346 502 L HA 0.528 4.868 4.340 0.001 0.000 0.276 502 L C -0.655 176.181 176.870 -0.056 0.000 1.006 502 L CA -1.063 53.869 54.840 0.153 0.000 0.817 502 L CB 2.016 44.160 42.059 0.142 0.000 1.272 502 L HN 0.025 nan 8.230 nan 0.000 0.421 503 M N 4.394 123.859 119.600 -0.226 0.000 2.180 503 M HA 0.461 4.941 4.480 0.001 0.000 0.358 503 M C -0.886 175.167 176.300 -0.413 0.000 1.233 503 M CA 0.652 55.586 55.300 -0.610 0.000 1.114 503 M CB 0.737 32.390 32.600 -1.580 0.000 1.594 503 M HN 0.464 nan 8.290 nan 0.000 0.467 504 M N 5.680 124.963 119.600 -0.528 0.000 2.602 504 M HA 0.583 5.063 4.480 0.001 0.000 0.312 504 M C -1.262 174.734 176.300 -0.507 0.000 1.181 504 M CA -0.564 54.388 55.300 -0.581 0.000 0.910 504 M CB 2.149 34.144 32.600 -1.009 0.000 1.723 504 M HN 0.599 nan 8.290 nan 0.000 0.459 505 I N 2.469 122.885 120.570 -0.256 0.000 2.498 505 I HA 0.407 4.577 4.170 0.001 0.000 0.290 505 I C -0.828 175.315 176.117 0.043 0.000 1.032 505 I CA -0.768 60.459 61.300 -0.121 0.000 1.073 505 I CB 1.823 39.713 38.000 -0.184 0.000 1.251 505 I HN 0.731 nan 8.210 nan 0.000 0.426 506 N N 4.526 123.291 118.700 0.109 0.000 2.701 506 N HA 0.517 5.257 4.740 0.001 0.000 0.290 506 N C 0.542 176.039 175.510 -0.021 0.000 1.338 506 N CA -0.672 52.431 53.050 0.089 0.000 0.799 506 N CB 0.923 39.488 38.487 0.129 0.000 1.491 506 N HN 0.494 nan 8.380 nan 0.000 0.540 507 A N -0.576 122.224 122.820 -0.034 0.000 2.024 507 A HA -0.074 4.247 4.320 0.001 0.000 0.220 507 A C 1.535 179.074 177.584 -0.073 0.000 1.164 507 A CA 1.265 53.260 52.037 -0.070 0.000 0.643 507 A CB -0.693 18.283 19.000 -0.040 0.000 0.806 507 A HN 0.490 nan 8.150 nan 0.000 0.451 508 L N -2.607 118.584 121.223 -0.052 0.000 2.249 508 L HA 0.307 4.647 4.340 0.001 0.000 0.207 508 L C 1.473 178.311 176.870 -0.052 0.000 1.090 508 L CA 1.415 56.225 54.840 -0.050 0.000 0.802 508 L CB -1.433 40.598 42.059 -0.046 0.000 0.947 508 L HN 0.554 nan 8.230 nan 0.000 0.453 509 G N -1.509 107.267 108.800 -0.040 0.000 2.512 509 G HA2 0.289 4.250 3.960 0.001 0.000 0.181 509 G HA3 0.289 4.250 3.960 0.001 0.000 0.181 509 G C -1.533 173.363 174.900 -0.007 0.000 1.173 509 G CA -0.682 44.391 45.100 -0.047 0.000 0.988 509 G HN -0.063 nan 8.290 nan 0.000 0.485 510 L N 0.559 121.782 121.223 -0.002 0.000 2.330 510 L HA 0.896 5.237 4.340 0.001 0.000 0.271 510 L C -0.375 176.579 176.870 0.140 0.000 1.013 510 L CA -1.124 53.708 54.840 -0.014 0.000 0.816 510 L CB 1.979 43.960 42.059 -0.131 0.000 1.287 510 L HN 0.900 nan 8.230 nan 0.000 0.435 511 Y N -1.169 119.068 120.300 -0.105 0.000 2.741 511 Y HA 0.662 5.212 4.550 0.001 0.000 0.339 511 Y C -0.755 175.101 175.900 -0.073 0.000 1.226 511 Y CA -1.332 56.726 58.100 -0.070 0.000 1.072 511 Y CB 0.861 39.292 38.460 -0.048 0.000 1.331 511 Y HN 0.582 nan 8.280 nan 0.000 0.453 512 T N -0.753 113.782 114.554 -0.031 0.000 2.945 512 T HA 0.948 5.298 4.350 0.001 0.000 0.286 512 T C -0.018 174.664 174.700 -0.030 0.000 1.025 512 T CA -0.156 61.877 62.100 -0.111 0.000 1.039 512 T CB 1.642 70.497 68.868 -0.022 0.000 1.068 512 T HN 1.591 nan 8.240 nan 0.000 0.497 513 G N 0.439 109.214 108.800 -0.042 0.000 2.782 513 G HA2 0.645 4.605 3.960 0.001 0.000 0.304 513 G HA3 0.645 4.605 3.960 0.001 0.000 0.304 513 G C -1.788 173.142 174.900 0.049 0.000 1.315 513 G CA -1.148 43.976 45.100 0.039 0.000 0.791 513 G HN 0.781 nan 8.290 nan 0.000 0.519 514 K N -0.232 120.217 120.400 0.083 0.000 2.259 514 K HA 0.399 4.720 4.320 0.001 0.000 0.249 514 K C -1.391 175.269 176.600 0.101 0.000 0.942 514 K CA -0.711 55.608 56.287 0.053 0.000 0.816 514 K CB 2.569 35.081 32.500 0.020 0.000 1.155 514 K HN 0.356 nan 8.250 nan 0.000 0.428 515 D N 2.061 122.461 120.400 -0.000 0.000 3.110 515 D HA 0.042 4.682 4.640 0.001 0.000 0.254 515 D C -0.234 175.853 176.300 -0.355 0.000 1.283 515 D CA -0.143 53.775 54.000 -0.137 0.000 0.944 515 D CB -0.174 40.665 40.800 0.066 0.000 1.066 515 D HN 0.494 nan 8.370 nan 0.000 0.496 516 N N 0.720 119.244 118.700 -0.293 0.000 2.238 516 N HA 0.070 4.810 4.740 0.001 0.000 0.235 516 N C -0.333 175.057 175.510 -0.199 0.000 1.209 516 N CA -0.585 52.319 53.050 -0.244 0.000 0.879 516 N CB -0.779 37.643 38.487 -0.107 0.000 1.136 516 N HN 0.101 nan 8.380 nan 0.000 0.517 517 F N 0.124 120.052 119.950 -0.037 0.000 2.371 517 F HA 0.564 5.091 4.527 0.001 0.000 0.329 517 F C 1.087 176.859 175.800 -0.048 0.000 1.107 517 F CA -1.258 56.708 58.000 -0.057 0.000 1.137 517 F CB 0.619 39.565 39.000 -0.091 0.000 1.214 517 F HN -0.116 nan 8.300 nan 0.000 0.536 518 R N -0.163 120.422 120.500 0.142 0.000 3.225 518 R HA -0.198 4.143 4.340 0.001 0.000 0.245 518 R C 0.998 177.318 176.300 0.032 0.000 0.928 518 R CA 0.690 56.827 56.100 0.062 0.000 0.632 518 R CB -2.239 28.137 30.300 0.127 0.000 1.038 518 R HN 1.017 nan 8.270 nan 0.000 0.461 519 T N -3.330 111.219 114.554 -0.008 0.000 2.867 519 T HA -0.074 4.276 4.350 0.001 0.000 0.268 519 T C 1.995 176.738 174.700 0.072 0.000 1.057 519 T CA 0.901 63.006 62.100 0.008 0.000 1.136 519 T CB 0.030 68.875 68.868 -0.038 0.000 0.874 519 T HN 0.500 nan 8.240 nan 0.000 0.466 520 A N 1.860 124.682 122.820 0.003 0.000 1.902 520 A HA 0.269 4.589 4.320 0.001 0.000 0.217 520 A C 2.719 180.273 177.584 -0.050 0.000 1.181 520 A CA 1.559 53.580 52.037 -0.025 0.000 0.623 520 A CB -1.560 17.394 19.000 -0.076 0.000 0.818 520 A HN 0.598 nan 8.150 nan 0.000 0.443 521 G N -1.800 106.929 108.800 -0.118 0.000 2.408 521 G HA2 -0.250 3.710 3.960 0.001 0.000 0.217 521 G HA3 -0.250 3.710 3.960 0.001 0.000 0.217 521 G C 1.530 176.470 174.900 0.067 0.000 1.150 521 G CA 1.193 46.231 45.100 -0.104 0.000 0.776 521 G HN 0.585 nan 8.290 nan 0.000 0.542 522 Y N 1.847 122.175 120.300 0.048 0.000 2.097 522 Y HA -0.179 4.372 4.550 0.001 0.000 0.282 522 Y C 2.454 178.417 175.900 0.105 0.000 1.152 522 Y CA 2.225 60.431 58.100 0.176 0.000 1.136 522 Y CB -0.042 38.558 38.460 0.233 0.000 0.975 522 Y HN 0.183 nan 8.280 nan 0.000 0.498 523 D N 0.080 120.607 120.400 0.212 0.000 2.144 523 D HA -0.159 4.481 4.640 0.001 0.000 0.200 523 D C 2.295 178.557 176.300 -0.064 0.000 0.978 523 D CA 1.381 55.436 54.000 0.092 0.000 0.833 523 D CB -0.647 40.228 40.800 0.125 0.000 0.961 523 D HN 0.498 nan 8.370 nan 0.000 0.470 524 A N 0.572 123.329 122.820 -0.106 0.000 1.908 524 A HA -0.160 4.160 4.320 0.001 0.000 0.218 524 A C 2.088 179.444 177.584 -0.379 0.000 1.181 524 A CA 1.072 53.010 52.037 -0.166 0.000 0.627 524 A CB -0.485 18.433 19.000 -0.137 0.000 0.818 524 A HN 0.138 nan 8.150 nan 0.000 0.445 525 L N -2.134 118.698 121.223 -0.652 0.000 2.068 525 L HA 0.113 4.453 4.340 0.001 0.000 0.204 525 L C 1.547 177.789 176.870 -1.047 0.000 1.076 525 L CA 1.628 55.745 54.840 -1.206 0.000 0.753 525 L CB -1.044 40.034 42.059 -1.635 0.000 0.910 525 L HN 0.436 nan 8.230 nan 0.000 0.439 526 F N -1.880 117.878 119.950 -0.320 0.000 2.664 526 F HA 0.219 4.747 4.527 0.001 0.000 0.303 526 F C 2.240 177.968 175.800 -0.119 0.000 1.092 526 F CA -0.133 57.693 58.000 -0.290 0.000 1.305 526 F CB -1.009 37.762 39.000 -0.383 0.000 1.054 526 F HN -0.127 nan 8.300 nan 0.000 0.565 527 S N -0.045 115.656 115.700 0.002 0.000 2.370 527 S HA -0.197 4.273 4.470 0.001 0.000 0.226 527 S C 1.059 175.675 174.600 0.027 0.000 1.033 527 S CA 1.265 59.493 58.200 0.046 0.000 1.011 527 S CB -0.278 62.934 63.200 0.020 0.000 0.852 527 S HN 0.469 nan 8.310 nan 0.000 0.457 528 N N 0.005 118.686 118.700 -0.032 0.000 2.675 528 N HA 0.192 4.933 4.740 0.001 0.000 0.254 528 N C -2.829 172.564 175.510 -0.195 0.000 1.224 528 N CA -1.505 51.485 53.050 -0.101 0.000 0.777 528 N CB 1.361 39.776 38.487 -0.120 0.000 1.256 528 N HN -0.101 nan 8.380 nan 0.000 0.531 529 P HA -0.114 nan 4.420 nan 0.000 0.217 529 P C -1.657 175.171 177.300 -0.787 0.000 1.158 529 P CA 1.436 64.266 63.100 -0.450 0.000 0.887 529 P CB -0.502 30.808 31.700 -0.651 0.000 0.792 530 P HA -0.067 nan 4.420 nan 0.000 0.226 530 P C 1.232 178.060 177.300 -0.788 0.000 1.146 530 P CA 1.436 63.659 63.100 -1.463 0.000 0.773 530 P CB -0.555 30.583 31.700 -0.937 0.000 0.772 531 S N -1.745 113.622 115.700 -0.555 0.000 2.453 531 S HA 0.017 4.487 4.470 0.001 0.000 0.231 531 S C 0.775 174.910 174.600 -0.776 0.000 1.005 531 S CA 0.874 58.730 58.200 -0.574 0.000 0.949 531 S CB -0.621 62.182 63.200 -0.660 0.000 0.774 531 S HN 0.200 nan 8.310 nan 0.000 0.510 532 F N 0.354 120.111 119.950 -0.322 0.000 2.708 532 F HA 0.425 4.953 4.527 0.001 0.000 0.300 532 F C -0.020 175.868 175.800 0.146 0.000 1.118 532 F CA -0.829 56.954 58.000 -0.361 0.000 1.307 532 F CB 0.179 38.709 39.000 -0.784 0.000 0.986 532 F HN 0.006 nan 8.300 nan 0.000 0.522 533 F N 0.898 120.892 119.950 0.073 0.000 2.382 533 F HA 0.455 4.982 4.527 0.001 0.000 0.331 533 F C 0.716 176.628 175.800 0.187 0.000 1.121 533 F CA -1.732 56.333 58.000 0.108 0.000 1.183 533 F CB 0.712 39.736 39.000 0.041 0.000 1.207 533 F HN -0.222 nan 8.300 nan 0.000 0.555 534 V N 0.000 120.065 119.914 0.251 0.000 2.409 534 V HA 0.000 4.120 4.120 0.001 0.000 0.244 534 V CA 0.000 62.373 62.300 0.121 0.000 1.235 534 V CB 0.000 31.841 31.823 0.030 0.000 1.184 534 V HN 0.000 nan 8.190 nan 0.000 0.556