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 2ihv_1_D DATA FIRST_RESID 11 DATA SEQUENCE KPTAAHALLS RLRDHGVGKV FGVVGREAAS ILFDEVEGID FVLTRHEFTA DATA SEQUENCE GVAADVLARI TGRPQACWAT LGPGMTNLST GIATSVLDRS PVIALAAQSE DATA SEQUENCE SHDIFPNDTH QCLDSVAIVA PMSKYAVELQ RPHEITDLVD SAVNAAMTEP DATA SEQUENCE VGPSFISLPV DLLGSSEGID TTVPNPPANT PAKPVGVVAD GWQKAADQAA DATA SEQUENCE ALLAEAKHPV LVVGAAAIRS GAVPAIRALA ERLNIPVITT YIAKGVLPVG DATA SEQUENCE HELNYGAVTG YMDGILNFPA LQTMFAPVDL VLTVGYDYAE DLRPSMWQKG DATA SEQUENCE IEKKTVRISP TVNPIPRVYR PDVDVVTDVL AFVEHFETAT ASFGAKQRHD DATA SEQUENCE IEPLRARIAE FLADPETYED GMRVHQVIDS MNTVMEEAAE PGEGTIVSDI DATA SEQUENCE GFFRHYGVLF ARADQPFGFL TSAGCSSFGY GIPAAIGAQM ARPDQPTFLI DATA SEQUENCE AGDGGFHSNS SDLETIARLN LPIVTVVVNN DTNGLIELYQ NIGHHRSHDP DATA SEQUENCE AVKFGGVDFV ALAEANGVDA TRATNREELL AALRKGAELG RPFLIEVPVN DATA SEQUENCE YDFQPGGFGA LSI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 K HA 0.000 nan 4.320 nan 0.000 0.191 11 K C 0.000 176.549 176.600 -0.085 0.000 0.988 11 K CA 0.000 56.247 56.287 -0.066 0.000 0.838 11 K CB 0.000 32.471 32.500 -0.049 0.000 1.064 12 P HA -0.012 nan 4.420 nan 0.000 0.265 12 P C -0.291 176.961 177.300 -0.080 0.000 1.193 12 P CA 0.059 63.039 63.100 -0.200 0.000 0.765 12 P CB 0.539 31.955 31.700 -0.473 0.000 0.823 13 T N -1.946 112.599 114.554 -0.014 0.000 2.870 13 T HA 0.566 4.916 4.350 0.000 0.000 0.277 13 T C 1.319 176.053 174.700 0.057 0.000 1.000 13 T CA -0.189 61.922 62.100 0.018 0.000 0.982 13 T CB 0.867 69.740 68.868 0.009 0.000 1.249 13 T HN 0.254 nan 8.240 nan 0.000 0.589 14 A N 0.039 122.889 122.820 0.049 0.000 2.024 14 A HA 0.201 4.521 4.320 0.000 0.000 0.220 14 A C 2.530 180.147 177.584 0.055 0.000 1.164 14 A CA 1.884 53.955 52.037 0.057 0.000 0.643 14 A CB -1.592 17.434 19.000 0.044 0.000 0.806 14 A HN 1.193 nan 8.150 nan 0.000 0.451 15 A N -0.812 122.027 122.820 0.031 0.000 1.877 15 A HA -0.184 4.136 4.320 0.000 0.000 0.216 15 A C 2.007 179.582 177.584 -0.015 0.000 1.186 15 A CA 1.991 54.014 52.037 -0.023 0.000 0.620 15 A CB -0.871 18.069 19.000 -0.101 0.000 0.822 15 A HN 0.805 nan 8.150 nan 0.000 0.443 16 H N -0.486 118.549 119.070 -0.059 0.000 2.357 16 H HA 0.084 4.640 4.556 0.000 0.000 0.301 16 H C 2.150 177.472 175.328 -0.010 0.000 1.082 16 H CA 1.730 57.753 56.048 -0.042 0.000 1.342 16 H CB -0.130 29.612 29.762 -0.034 0.000 1.389 16 H HN 0.402 nan 8.280 nan 0.000 0.511 17 A N 0.668 123.594 122.820 0.177 0.000 1.933 17 A HA -0.115 4.205 4.320 0.000 0.000 0.218 17 A C 2.330 179.948 177.584 0.057 0.000 1.175 17 A CA 1.485 53.598 52.037 0.127 0.000 0.628 17 A CB -0.806 18.266 19.000 0.120 0.000 0.814 17 A HN 0.513 nan 8.150 nan 0.000 0.444 18 L N -0.218 121.036 121.223 0.050 0.000 2.005 18 L HA -0.081 4.259 4.340 0.000 0.000 0.207 18 L C 2.246 179.146 176.870 0.049 0.000 1.072 18 L CA 1.782 56.660 54.840 0.064 0.000 0.744 18 L CB -0.577 41.542 42.059 0.100 0.000 0.895 18 L HN 0.377 nan 8.230 nan 0.000 0.433 19 L N -0.965 120.256 121.223 -0.004 0.000 2.083 19 L HA -0.182 4.158 4.340 0.000 0.000 0.209 19 L C 2.739 179.577 176.870 -0.055 0.000 1.083 19 L CA 1.439 56.266 54.840 -0.022 0.000 0.752 19 L CB -0.797 41.211 42.059 -0.086 0.000 0.899 19 L HN 0.431 nan 8.230 nan 0.000 0.433 20 S N -0.120 115.505 115.700 -0.125 0.000 2.368 20 S HA -0.234 4.236 4.470 0.000 0.000 0.225 20 S C 2.182 176.773 174.600 -0.016 0.000 1.030 20 S CA 1.466 59.599 58.200 -0.110 0.000 0.999 20 S CB -0.079 63.032 63.200 -0.148 0.000 0.844 20 S HN 0.245 nan 8.310 nan 0.000 0.459 21 R N 0.946 121.463 120.500 0.028 0.000 2.090 21 R HA 0.241 4.581 4.340 0.000 0.000 0.228 21 R C 2.195 178.586 176.300 0.153 0.000 1.110 21 R CA 1.157 57.306 56.100 0.080 0.000 0.973 21 R CB -0.912 29.450 30.300 0.104 0.000 0.869 21 R HN 0.491 nan 8.270 nan 0.000 0.440 22 L N -0.050 121.249 121.223 0.126 0.000 2.042 22 L HA -0.151 4.189 4.340 0.000 0.000 0.210 22 L C 2.700 179.639 176.870 0.115 0.000 1.076 22 L CA 1.686 56.609 54.840 0.139 0.000 0.749 22 L CB -0.481 41.645 42.059 0.113 0.000 0.893 22 L HN 0.222 nan 8.230 nan 0.000 0.432 23 R N 0.213 120.747 120.500 0.057 0.000 2.096 23 R HA -0.175 4.165 4.340 0.000 0.000 0.235 23 R C 1.754 178.060 176.300 0.011 0.000 1.127 23 R CA 1.693 57.808 56.100 0.026 0.000 0.968 23 R CB -0.176 30.120 30.300 -0.006 0.000 0.861 23 R HN 0.369 nan 8.270 nan 0.000 0.440 24 D N -0.501 119.891 120.400 -0.013 0.000 2.218 24 D HA -0.152 4.489 4.640 0.000 0.000 0.204 24 D C 1.205 177.403 176.300 -0.170 0.000 0.976 24 D CA 1.116 55.056 54.000 -0.099 0.000 0.853 24 D CB -0.206 40.502 40.800 -0.154 0.000 0.939 24 D HN 0.398 nan 8.370 nan 0.000 0.481 25 H N -0.905 118.170 119.070 0.008 0.000 2.526 25 H HA 0.255 4.812 4.556 0.000 0.000 0.274 25 H C 1.442 176.778 175.328 0.013 0.000 0.999 25 H CA 0.768 56.822 56.048 0.010 0.000 1.157 25 H CB 0.678 30.446 29.762 0.010 0.000 1.407 25 H HN 0.215 nan 8.280 nan 0.000 0.568 26 G N 0.749 109.599 108.800 0.083 0.000 2.175 26 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 26 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 26 G C 0.341 175.275 174.900 0.056 0.000 0.982 26 G CA 0.253 45.387 45.100 0.057 0.000 0.641 26 G HN 0.211 nan 8.290 nan 0.000 0.527 27 V N 0.950 120.907 119.914 0.070 0.000 2.572 27 V HA 0.524 4.644 4.120 0.000 0.000 0.291 27 V C 1.591 177.701 176.094 0.027 0.000 1.039 27 V CA 1.277 63.611 62.300 0.057 0.000 1.055 27 V CB 1.344 33.212 31.823 0.075 0.000 0.969 27 V HN 0.638 nan 8.190 nan 0.000 0.482 28 G N 4.380 113.183 108.800 0.005 0.000 2.833 28 G HA2 0.170 4.130 3.960 0.000 0.000 0.214 28 G HA3 0.170 4.130 3.960 0.000 0.000 0.214 28 G C 0.429 175.281 174.900 -0.080 0.000 1.075 28 G CA -0.100 44.985 45.100 -0.025 0.000 0.799 28 G HN 0.485 nan 8.290 nan 0.000 0.541 29 K N 0.730 121.057 120.400 -0.121 0.000 2.427 29 K HA 0.617 4.937 4.320 0.000 0.000 0.252 29 K C -1.446 174.969 176.600 -0.310 0.000 0.931 29 K CA -0.634 55.463 56.287 -0.317 0.000 0.793 29 K CB 2.888 35.068 32.500 -0.533 0.000 1.211 29 K HN -0.114 nan 8.250 nan 0.000 0.426 30 V N 3.876 123.538 119.914 -0.419 0.000 2.350 30 V HA 0.406 4.526 4.120 0.000 0.000 0.285 30 V C -0.648 174.981 176.094 -0.775 0.000 1.014 30 V CA -0.840 61.258 62.300 -0.336 0.000 0.831 30 V CB 0.387 32.164 31.823 -0.076 0.000 1.000 30 V HN 0.505 nan 8.190 nan 0.000 0.433 31 F N 3.114 122.827 119.950 -0.395 0.000 2.396 31 F HA 0.837 5.364 4.527 0.000 0.000 0.343 31 F C 1.039 176.592 175.800 -0.413 0.000 1.104 31 F CA 0.466 58.180 58.000 -0.476 0.000 1.161 31 F CB 1.659 40.507 39.000 -0.254 0.000 1.146 31 F HN 0.718 nan 8.300 nan 0.000 0.522 32 G N 0.775 109.386 108.800 -0.314 0.000 2.323 32 G HA2 0.430 4.390 3.960 0.000 0.000 0.291 32 G HA3 0.430 4.390 3.960 0.000 0.000 0.291 32 G C -2.360 172.713 174.900 0.288 0.000 1.278 32 G CA -0.793 44.367 45.100 0.100 0.000 0.860 32 G HN 0.482 nan 8.290 nan 0.000 0.504 33 V N 0.183 120.349 119.914 0.420 0.000 2.531 33 V HA 0.621 4.742 4.120 0.000 0.000 0.301 33 V C -0.069 176.254 176.094 0.381 0.000 1.034 33 V CA -0.692 61.809 62.300 0.334 0.000 0.865 33 V CB 1.494 33.421 31.823 0.173 0.000 0.995 33 V HN 0.755 nan 8.190 nan 0.000 0.424 34 V N 3.926 123.963 119.914 0.206 0.000 2.481 34 V HA 0.811 4.931 4.120 0.000 0.000 0.286 34 V C 0.834 177.020 176.094 0.152 0.000 1.042 34 V CA 0.287 62.686 62.300 0.166 0.000 0.928 34 V CB 1.296 33.028 31.823 -0.151 0.000 0.986 34 V HN 0.972 nan 8.190 nan 0.000 0.462 35 G N 3.363 112.287 108.800 0.206 0.000 3.039 35 G HA2 0.316 4.276 3.960 0.000 0.000 0.159 35 G HA3 0.316 4.276 3.960 0.000 0.000 0.159 35 G C 0.796 175.767 174.900 0.118 0.000 1.284 35 G CA -0.173 45.009 45.100 0.136 0.000 0.996 35 G HN 0.745 nan 8.290 nan 0.000 0.592 36 R N 0.127 120.687 120.500 0.101 0.000 2.293 36 R HA -0.023 4.317 4.340 0.000 0.000 0.219 36 R C 1.680 178.032 176.300 0.086 0.000 1.091 36 R CA 1.866 58.016 56.100 0.082 0.000 1.004 36 R CB -0.268 30.078 30.300 0.077 0.000 0.865 36 R HN 0.529 nan 8.270 nan 0.000 0.469 37 E N 1.450 121.728 120.200 0.129 0.000 2.463 37 E HA -0.158 4.192 4.350 0.000 0.000 0.201 37 E C 1.477 178.132 176.600 0.092 0.000 1.045 37 E CA 1.163 57.650 56.400 0.146 0.000 0.872 37 E CB -0.082 29.784 29.700 0.277 0.000 0.797 37 E HN 0.518 nan 8.360 nan 0.000 0.538 38 A N 1.591 124.450 122.820 0.066 0.000 2.070 38 A HA 0.058 4.378 4.320 0.000 0.000 0.220 38 A C 2.448 180.017 177.584 -0.025 0.000 1.159 38 A CA 1.554 53.589 52.037 -0.004 0.000 0.656 38 A CB -0.538 18.461 19.000 -0.002 0.000 0.800 38 A HN 0.420 nan 8.150 nan 0.000 0.453 39 A N -1.102 121.720 122.820 0.002 0.000 2.070 39 A HA 0.024 4.344 4.320 0.000 0.000 0.220 39 A C 2.207 179.782 177.584 -0.016 0.000 1.159 39 A CA 1.893 53.928 52.037 -0.003 0.000 0.656 39 A CB -0.320 18.689 19.000 0.015 0.000 0.800 39 A HN 0.421 nan 8.150 nan 0.000 0.453 40 S N -1.962 113.726 115.700 -0.020 0.000 2.506 40 S HA 0.406 4.876 4.470 0.000 0.000 0.219 40 S C 0.232 174.774 174.600 -0.097 0.000 1.031 40 S CA -0.088 58.094 58.200 -0.030 0.000 0.911 40 S CB 0.202 63.407 63.200 0.009 0.000 0.812 40 S HN 0.481 nan 8.310 nan 0.000 0.497 41 I N 1.062 121.528 120.570 -0.174 0.000 2.548 41 I HA 0.330 4.500 4.170 0.000 0.000 0.287 41 I C -0.238 175.610 176.117 -0.448 0.000 1.103 41 I CA -0.475 60.585 61.300 -0.401 0.000 1.049 41 I CB 1.433 39.044 38.000 -0.648 0.000 1.232 41 I HN 0.044 nan 8.210 nan 0.000 0.429 42 L N 6.781 127.774 121.223 -0.383 0.000 2.253 42 L HA 0.238 4.578 4.340 0.000 0.000 0.205 42 L C 0.296 177.082 176.870 -0.139 0.000 1.078 42 L CA 0.824 55.536 54.840 -0.214 0.000 0.805 42 L CB 0.107 42.096 42.059 -0.117 0.000 0.963 42 L HN 0.834 nan 8.230 nan 0.000 0.459 43 F N -0.485 119.329 119.950 -0.227 0.000 2.359 43 F HA -0.210 4.317 4.527 0.000 0.000 0.297 43 F C 0.785 176.516 175.800 -0.115 0.000 0.635 43 F CA 0.599 58.475 58.000 -0.207 0.000 1.791 43 F CB -1.746 37.079 39.000 -0.293 0.000 2.250 43 F HN 0.341 nan 8.300 nan 0.000 0.294 44 D N -0.709 119.693 120.400 0.003 0.000 2.433 44 D HA 0.143 4.783 4.640 0.000 0.000 0.211 44 D C 1.341 177.634 176.300 -0.012 0.000 1.114 44 D CA 0.410 54.413 54.000 0.006 0.000 0.837 44 D CB -0.034 40.767 40.800 0.001 0.000 0.984 44 D HN 0.287 nan 8.370 nan 0.000 0.505 45 E N 0.018 120.193 120.200 -0.042 0.000 2.160 45 E HA -0.024 4.326 4.350 0.000 0.000 0.195 45 E C 0.161 176.747 176.600 -0.023 0.000 0.991 45 E CA 0.902 57.297 56.400 -0.008 0.000 0.810 45 E CB 0.240 29.920 29.700 -0.034 0.000 0.742 45 E HN 0.158 nan 8.360 nan 0.000 0.466 46 V N 0.875 120.743 119.914 -0.077 0.000 2.577 46 V HA 0.149 4.269 4.120 0.000 0.000 0.303 46 V C -0.341 175.727 176.094 -0.043 0.000 1.042 46 V CA -1.014 61.221 62.300 -0.109 0.000 0.872 46 V CB 1.793 33.493 31.823 -0.205 0.000 0.998 46 V HN 0.030 nan 8.190 nan 0.000 0.423 47 E N 2.938 123.123 120.200 -0.025 0.000 2.384 47 E HA 0.423 4.773 4.350 0.000 0.000 0.266 47 E C 1.116 177.707 176.600 -0.015 0.000 1.012 47 E CA 0.997 57.390 56.400 -0.011 0.000 0.901 47 E CB 0.754 30.453 29.700 -0.002 0.000 0.967 47 E HN 1.115 nan 8.360 nan 0.000 0.435 48 G N 3.978 112.772 108.800 -0.011 0.000 2.157 48 G HA2 -0.251 3.709 3.960 0.000 0.000 0.239 48 G HA3 -0.251 3.709 3.960 0.000 0.000 0.239 48 G C -0.026 174.865 174.900 -0.014 0.000 0.982 48 G CA 0.131 45.224 45.100 -0.012 0.000 0.650 48 G HN 0.575 nan 8.290 nan 0.000 0.527 49 I N 1.553 122.116 120.570 -0.012 0.000 2.468 49 I HA 0.431 4.601 4.170 0.000 0.000 0.284 49 I C -1.417 174.699 176.117 -0.001 0.000 1.038 49 I CA -0.916 60.378 61.300 -0.009 0.000 1.083 49 I CB 1.120 39.125 38.000 0.009 0.000 1.223 49 I HN -0.017 nan 8.210 nan 0.000 0.443 50 D N 7.062 127.435 120.400 -0.046 0.000 2.185 50 D HA 0.238 4.878 4.640 0.000 0.000 0.247 50 D C -0.838 175.389 176.300 -0.121 0.000 1.027 50 D CA -0.163 53.806 54.000 -0.052 0.000 0.861 50 D CB 2.322 43.074 40.800 -0.081 0.000 1.202 50 D HN 0.258 nan 8.370 nan 0.000 0.453 51 F N 1.414 121.217 119.950 -0.244 0.000 2.427 51 F HA 0.198 4.725 4.527 0.000 0.000 0.352 51 F C -0.162 175.434 175.800 -0.341 0.000 1.100 51 F CA -0.339 57.420 58.000 -0.403 0.000 1.191 51 F CB 0.837 39.498 39.000 -0.566 0.000 1.128 51 F HN -0.028 nan 8.300 nan 0.000 0.533 52 V N 8.049 127.396 119.914 -0.946 0.000 2.293 52 V HA 0.196 4.316 4.120 0.000 0.000 0.275 52 V C -0.489 175.273 176.094 -0.554 0.000 1.021 52 V CA -0.851 61.084 62.300 -0.608 0.000 0.815 52 V CB 0.960 32.369 31.823 -0.690 0.000 1.025 52 V HN 0.576 nan 8.190 nan 0.000 0.448 53 L N 6.745 127.881 121.223 -0.146 0.000 2.361 53 L HA 0.552 4.892 4.340 0.000 0.000 0.278 53 L C 0.757 177.650 176.870 0.038 0.000 1.113 53 L CA 0.884 55.767 54.840 0.071 0.000 0.849 53 L CB 1.081 43.261 42.059 0.200 0.000 1.155 53 L HN 0.852 nan 8.230 nan 0.000 0.452 54 T N 1.941 116.529 114.554 0.058 0.000 2.937 54 T HA 0.518 4.868 4.350 0.000 0.000 0.283 54 T C 1.005 175.755 174.700 0.084 0.000 1.012 54 T CA -0.812 61.326 62.100 0.063 0.000 0.997 54 T CB 1.213 70.116 68.868 0.058 0.000 1.136 54 T HN 0.527 nan 8.240 nan 0.000 0.551 55 R N -0.249 120.301 120.500 0.083 0.000 2.246 55 R HA 0.213 4.553 4.340 0.000 0.000 0.199 55 R C 0.592 176.986 176.300 0.157 0.000 0.984 55 R CA 0.520 56.677 56.100 0.095 0.000 1.015 55 R CB -0.691 29.650 30.300 0.067 0.000 0.930 55 R HN 0.790 nan 8.270 nan 0.000 0.475 56 H N -0.495 118.606 119.070 0.052 0.000 2.996 56 H HA 0.155 4.712 4.556 0.000 0.000 0.368 56 H C -0.181 175.202 175.328 0.092 0.000 1.185 56 H CA -0.280 55.813 56.048 0.075 0.000 1.160 56 H CB 2.013 31.823 29.762 0.080 0.000 1.820 56 H HN -0.232 nan 8.280 nan 0.000 0.547 57 E N 2.486 122.617 120.200 -0.114 0.000 2.150 57 E HA -0.107 4.243 4.350 0.000 0.000 0.193 57 E C 1.571 178.280 176.600 0.182 0.000 0.985 57 E CA 1.143 57.561 56.400 0.030 0.000 0.814 57 E CB -0.078 29.595 29.700 -0.046 0.000 0.752 57 E HN 0.457 nan 8.360 nan 0.000 0.466 58 F N 1.450 121.565 119.950 0.276 0.000 2.095 58 F HA -0.263 4.264 4.527 0.000 0.000 0.298 58 F C 1.995 177.837 175.800 0.069 0.000 1.104 58 F CA 1.810 59.926 58.000 0.194 0.000 1.232 58 F CB -0.712 38.424 39.000 0.227 0.000 0.987 58 F HN -0.073 nan 8.300 nan 0.000 0.475 59 T N 0.907 115.420 114.554 -0.069 0.000 2.684 59 T HA -0.210 4.140 4.350 0.000 0.000 0.267 59 T C 2.249 176.783 174.700 -0.277 0.000 1.036 59 T CA 1.625 63.574 62.100 -0.251 0.000 1.148 59 T CB -0.988 67.844 68.868 -0.061 0.000 0.863 59 T HN 0.411 nan 8.240 nan 0.000 0.436 60 A N 1.479 124.227 122.820 -0.120 0.000 1.883 60 A HA 0.062 4.382 4.320 0.000 0.000 0.217 60 A C 2.660 180.127 177.584 -0.195 0.000 1.186 60 A CA 1.997 53.979 52.037 -0.092 0.000 0.624 60 A CB -1.445 17.585 19.000 0.050 0.000 0.822 60 A HN 0.521 nan 8.150 nan 0.000 0.444 61 G N -0.773 107.936 108.800 -0.152 0.000 2.421 61 G HA2 -0.089 3.871 3.960 0.000 0.000 0.216 61 G HA3 -0.089 3.871 3.960 0.000 0.000 0.216 61 G C 1.504 176.243 174.900 -0.268 0.000 1.171 61 G CA 1.275 46.288 45.100 -0.145 0.000 0.775 61 G HN 0.340 nan 8.290 nan 0.000 0.543 62 V N 1.534 121.187 119.914 -0.435 0.000 2.358 62 V HA -0.079 4.041 4.120 0.000 0.000 0.246 62 V C 3.312 179.093 176.094 -0.523 0.000 1.047 62 V CA 1.855 63.858 62.300 -0.496 0.000 1.035 62 V CB -0.820 30.544 31.823 -0.764 0.000 0.658 62 V HN 0.469 nan 8.190 nan 0.000 0.452 63 A N 0.279 122.724 122.820 -0.624 0.000 1.908 63 A HA -0.162 4.158 4.320 0.000 0.000 0.218 63 A C 2.436 179.503 177.584 -0.863 0.000 1.181 63 A CA 2.237 53.797 52.037 -0.794 0.000 0.627 63 A CB -0.836 17.525 19.000 -1.066 0.000 0.818 63 A HN 0.575 nan 8.150 nan 0.000 0.445 64 A N -0.076 122.252 122.820 -0.820 0.000 1.933 64 A HA -0.220 4.100 4.320 0.000 0.000 0.218 64 A C 1.954 179.404 177.584 -0.222 0.000 1.175 64 A CA 1.888 53.685 52.037 -0.399 0.000 0.628 64 A CB -0.620 18.306 19.000 -0.123 0.000 0.814 64 A HN 0.684 nan 8.150 nan 0.000 0.444 65 D N 0.019 120.282 120.400 -0.227 0.000 2.097 65 D HA -0.131 4.509 4.640 0.000 0.000 0.195 65 D C 1.858 178.056 176.300 -0.169 0.000 0.989 65 D CA 1.951 55.859 54.000 -0.152 0.000 0.827 65 D CB -0.020 40.710 40.800 -0.118 0.000 0.966 65 D HN 0.234 nan 8.370 nan 0.000 0.456 66 V N 1.039 120.815 119.914 -0.231 0.000 2.379 66 V HA -0.178 3.942 4.120 0.000 0.000 0.245 66 V C 2.654 178.640 176.094 -0.180 0.000 1.044 66 V CA 0.949 63.116 62.300 -0.222 0.000 1.036 66 V CB -0.496 31.166 31.823 -0.267 0.000 0.664 66 V HN 0.194 nan 8.190 nan 0.000 0.453 67 L N 1.112 122.232 121.223 -0.172 0.000 2.042 67 L HA -0.127 4.213 4.340 0.000 0.000 0.210 67 L C 2.463 179.304 176.870 -0.047 0.000 1.076 67 L CA 2.393 57.184 54.840 -0.081 0.000 0.749 67 L CB -0.884 41.159 42.059 -0.027 0.000 0.893 67 L HN 0.236 nan 8.230 nan 0.000 0.432 68 A N -0.506 122.278 122.820 -0.060 0.000 1.933 68 A HA -0.252 4.068 4.320 0.000 0.000 0.218 68 A C 2.514 180.070 177.584 -0.048 0.000 1.175 68 A CA 1.780 53.796 52.037 -0.034 0.000 0.628 68 A CB -0.640 18.340 19.000 -0.032 0.000 0.814 68 A HN 0.534 nan 8.150 nan 0.000 0.444 69 R N -0.239 120.191 120.500 -0.116 0.000 2.073 69 R HA -0.072 4.268 4.340 0.000 0.000 0.234 69 R C 1.894 178.124 176.300 -0.116 0.000 1.134 69 R CA 1.949 57.927 56.100 -0.202 0.000 0.952 69 R CB -0.386 29.659 30.300 -0.424 0.000 0.850 69 R HN 0.519 nan 8.270 nan 0.000 0.433 70 I N 0.482 121.003 120.570 -0.081 0.000 2.233 70 I HA -0.199 3.971 4.170 0.000 0.000 0.243 70 I C 2.424 178.598 176.117 0.095 0.000 1.093 70 I CA 1.635 62.975 61.300 0.066 0.000 1.380 70 I CB -0.408 37.615 38.000 0.038 0.000 1.067 70 I HN 0.407 nan 8.210 nan 0.000 0.413 71 T N -1.451 113.133 114.554 0.050 0.000 2.951 71 T HA 0.025 4.375 4.350 0.000 0.000 0.268 71 T C 1.715 176.452 174.700 0.062 0.000 1.073 71 T CA 0.714 62.847 62.100 0.055 0.000 1.134 71 T CB -0.420 68.473 68.868 0.042 0.000 0.884 71 T HN 0.551 nan 8.240 nan 0.000 0.479 72 G N 1.753 110.592 108.800 0.064 0.000 2.179 72 G HA2 -0.266 3.694 3.960 0.000 0.000 0.257 72 G HA3 -0.266 3.694 3.960 0.000 0.000 0.257 72 G C 0.029 174.957 174.900 0.047 0.000 1.010 72 G CA 0.194 45.333 45.100 0.064 0.000 0.736 72 G HN 0.756 nan 8.290 nan 0.000 0.513 73 R N -0.287 120.237 120.500 0.040 0.000 2.750 73 R HA 0.498 4.838 4.340 0.000 0.000 0.281 73 R C -2.846 173.474 176.300 0.033 0.000 0.972 73 R CA -2.264 53.861 56.100 0.041 0.000 0.912 73 R CB 1.764 32.093 30.300 0.049 0.000 1.187 73 R HN -0.013 nan 8.270 nan 0.000 0.464 74 P HA -0.028 nan 4.420 nan 0.000 0.265 74 P C -0.772 176.552 177.300 0.040 0.000 1.193 74 P CA 0.213 63.324 63.100 0.018 0.000 0.765 74 P CB 0.670 32.363 31.700 -0.012 0.000 0.823 75 Q N 1.117 120.943 119.800 0.044 0.000 2.495 75 Q HA 0.846 5.186 4.340 0.000 0.000 0.283 75 Q C -0.793 175.265 176.000 0.097 0.000 1.097 75 Q CA -0.946 54.905 55.803 0.081 0.000 0.836 75 Q CB 2.452 31.242 28.738 0.087 0.000 1.426 75 Q HN 0.438 nan 8.270 nan 0.000 0.459 76 A N 0.172 123.083 122.820 0.151 0.000 2.486 76 A HA 0.788 5.108 4.320 0.000 0.000 0.300 76 A C -0.597 177.120 177.584 0.221 0.000 1.048 76 A CA -0.538 51.598 52.037 0.166 0.000 0.696 76 A CB 0.774 19.873 19.000 0.165 0.000 1.278 76 A HN 0.833 nan 8.150 nan 0.000 0.405 77 C N -0.341 119.087 119.300 0.213 0.000 2.971 77 C HA 0.969 5.430 4.460 0.000 0.000 0.310 77 C C -1.011 174.173 174.990 0.324 0.000 1.285 77 C CA -0.937 58.222 59.018 0.235 0.000 1.593 77 C CB 1.401 29.229 27.740 0.147 0.000 2.076 77 C HN 1.074 nan 8.230 nan 0.000 0.472 78 W N 1.221 122.597 121.300 0.126 0.000 3.097 78 W HA 0.648 5.308 4.660 0.000 0.000 0.335 78 W C -1.063 175.564 176.519 0.180 0.000 1.114 78 W CA -0.100 57.362 57.345 0.195 0.000 1.231 78 W CB 2.211 31.858 29.460 0.311 0.000 1.388 78 W HN 1.290 nan 8.180 nan 0.000 0.485 79 A N 2.751 125.409 122.820 -0.270 0.000 2.566 79 A HA 0.625 4.945 4.320 0.000 0.000 0.292 79 A C -0.640 176.849 177.584 -0.159 0.000 1.112 79 A CA -0.431 51.575 52.037 -0.052 0.000 0.707 79 A CB 1.877 20.873 19.000 -0.007 0.000 1.302 79 A HN 0.465 nan 8.150 nan 0.000 0.409 80 T N -0.005 114.574 114.554 0.042 0.000 2.729 80 T HA 0.508 4.858 4.350 0.000 0.000 0.298 80 T C 0.568 175.259 174.700 -0.015 0.000 1.013 80 T CA 0.015 62.146 62.100 0.051 0.000 0.957 80 T CB -0.219 68.711 68.868 0.104 0.000 1.130 80 T HN 1.019 nan 8.240 nan 0.000 0.526 81 L N 0.120 121.339 121.223 -0.008 0.000 2.476 81 L HA 0.616 4.956 4.340 0.000 0.000 0.264 81 L C 1.440 178.288 176.870 -0.037 0.000 1.224 81 L CA -0.191 54.633 54.840 -0.026 0.000 0.821 81 L CB -0.858 41.183 42.059 -0.030 0.000 1.101 81 L HN 0.909 nan 8.230 nan 0.000 0.488 82 G N 1.331 110.106 108.800 -0.042 0.000 2.620 82 G HA2 -0.314 3.646 3.960 0.000 0.000 0.315 82 G HA3 -0.314 3.646 3.960 0.000 0.000 0.315 82 G C -1.001 173.872 174.900 -0.045 0.000 1.179 82 G CA 0.337 45.404 45.100 -0.053 0.000 0.971 82 G HN 0.764 nan 8.290 nan 0.000 0.544 83 P HA -0.012 nan 4.420 nan 0.000 0.222 83 P C 1.927 179.202 177.300 -0.041 0.000 1.147 83 P CA 2.445 65.522 63.100 -0.037 0.000 0.790 83 P CB -0.684 30.997 31.700 -0.032 0.000 0.780 84 G N 0.595 109.375 108.800 -0.033 0.000 2.421 84 G HA2 -0.259 3.701 3.960 0.000 0.000 0.216 84 G HA3 -0.259 3.701 3.960 0.000 0.000 0.216 84 G C 1.550 176.433 174.900 -0.028 0.000 1.171 84 G CA 0.917 46.000 45.100 -0.029 0.000 0.775 84 G HN 0.154 nan 8.290 nan 0.000 0.543 85 M N 2.099 121.683 119.600 -0.026 0.000 2.117 85 M HA -0.111 4.369 4.480 0.000 0.000 0.262 85 M C 2.709 178.972 176.300 -0.062 0.000 1.065 85 M CA 2.517 57.799 55.300 -0.030 0.000 1.114 85 M CB -1.180 31.413 32.600 -0.013 0.000 1.361 85 M HN 0.395 nan 8.290 nan 0.000 0.408 86 T N -1.099 113.423 114.554 -0.054 0.000 2.821 86 T HA -0.091 4.259 4.350 0.000 0.000 0.267 86 T C 1.581 176.274 174.700 -0.012 0.000 1.046 86 T CA 1.534 63.606 62.100 -0.046 0.000 1.139 86 T CB -0.654 68.192 68.868 -0.038 0.000 0.871 86 T HN 0.324 nan 8.240 nan 0.000 0.454 87 N N 1.387 120.080 118.700 -0.011 0.000 2.166 87 N HA 0.024 4.764 4.740 0.000 0.000 0.186 87 N C 1.653 177.214 175.510 0.085 0.000 1.019 87 N CA 0.734 53.797 53.050 0.021 0.000 0.856 87 N CB -0.690 37.694 38.487 -0.171 0.000 0.993 87 N HN 0.287 nan 8.380 nan 0.000 0.426 88 L N 1.096 122.342 121.223 0.038 0.000 2.201 88 L HA -0.064 4.277 4.340 0.000 0.000 0.212 88 L C 2.178 179.085 176.870 0.061 0.000 1.105 88 L CA 1.114 55.993 54.840 0.064 0.000 0.775 88 L CB -0.790 41.292 42.059 0.039 0.000 0.913 88 L HN 0.218 nan 8.230 nan 0.000 0.440 89 S N -2.631 113.076 115.700 0.012 0.000 2.399 89 S HA -0.201 4.269 4.470 0.000 0.000 0.231 89 S C 1.823 176.452 174.600 0.048 0.000 1.022 89 S CA 1.618 59.806 58.200 -0.020 0.000 0.983 89 S CB -1.050 62.106 63.200 -0.073 0.000 0.803 89 S HN 0.513 nan 8.310 nan 0.000 0.480 90 T N 1.526 116.152 114.554 0.121 0.000 2.867 90 T HA 0.091 4.441 4.350 0.000 0.000 0.268 90 T C 1.979 176.872 174.700 0.320 0.000 1.057 90 T CA 1.222 63.435 62.100 0.188 0.000 1.136 90 T CB -0.942 68.008 68.868 0.137 0.000 0.874 90 T HN 0.641 nan 8.240 nan 0.000 0.466 91 G N 1.302 110.291 108.800 0.315 0.000 2.408 91 G HA2 -0.075 3.885 3.960 0.000 0.000 0.217 91 G HA3 -0.075 3.885 3.960 0.000 0.000 0.217 91 G C 1.506 176.453 174.900 0.078 0.000 1.150 91 G CA 0.273 45.463 45.100 0.150 0.000 0.776 91 G HN 0.480 nan 8.290 nan 0.000 0.542 92 I N 1.446 122.053 120.570 0.062 0.000 2.226 92 I HA -0.179 3.991 4.170 0.000 0.000 0.245 92 I C 3.284 179.418 176.117 0.030 0.000 1.100 92 I CA 0.973 62.291 61.300 0.029 0.000 1.374 92 I CB -0.201 37.790 38.000 -0.014 0.000 1.057 92 I HN 0.233 nan 8.210 nan 0.000 0.413 93 A N 0.399 123.242 122.820 0.040 0.000 1.908 93 A HA -0.216 4.104 4.320 0.000 0.000 0.218 93 A C 2.383 179.998 177.584 0.051 0.000 1.181 93 A CA 2.475 54.533 52.037 0.035 0.000 0.627 93 A CB -1.124 17.896 19.000 0.034 0.000 0.818 93 A HN 0.395 nan 8.150 nan 0.000 0.445 94 T N -0.448 114.163 114.554 0.096 0.000 2.684 94 T HA -0.164 4.186 4.350 0.000 0.000 0.267 94 T C 2.287 177.018 174.700 0.052 0.000 1.036 94 T CA 1.917 64.079 62.100 0.104 0.000 1.148 94 T CB -0.354 68.620 68.868 0.176 0.000 0.863 94 T HN 0.606 nan 8.240 nan 0.000 0.436 95 S N 0.134 115.855 115.700 0.034 0.000 2.387 95 S HA -0.044 4.426 4.470 0.000 0.000 0.226 95 S C 2.157 176.762 174.600 0.009 0.000 1.026 95 S CA 0.927 59.134 58.200 0.012 0.000 0.972 95 S CB -0.467 62.737 63.200 0.008 0.000 0.814 95 S HN 0.266 nan 8.310 nan 0.000 0.477 96 V N 1.035 120.957 119.914 0.013 0.000 2.453 96 V HA 0.082 4.202 4.120 0.000 0.000 0.247 96 V C 2.144 178.238 176.094 -0.000 0.000 1.048 96 V CA 1.640 63.946 62.300 0.008 0.000 1.049 96 V CB -0.270 31.558 31.823 0.008 0.000 0.672 96 V HN 0.559 nan 8.190 nan 0.000 0.457 97 L N -0.682 120.539 121.223 -0.004 0.000 2.249 97 L HA 0.043 4.383 4.340 0.000 0.000 0.207 97 L C 1.872 178.724 176.870 -0.030 0.000 1.090 97 L CA 0.991 55.819 54.840 -0.019 0.000 0.802 97 L CB -0.299 41.746 42.059 -0.024 0.000 0.947 97 L HN 0.290 nan 8.230 nan 0.000 0.453 98 D N 0.032 120.419 120.400 -0.022 0.000 2.348 98 D HA 0.013 4.653 4.640 0.000 0.000 0.211 98 D C -0.073 176.210 176.300 -0.029 0.000 0.998 98 D CA 0.145 54.125 54.000 -0.033 0.000 0.873 98 D CB 0.268 41.053 40.800 -0.025 0.000 0.925 98 D HN -0.004 nan 8.370 nan 0.000 0.524 99 R N 0.443 120.932 120.500 -0.018 0.000 2.958 99 R HA -0.109 4.231 4.340 0.000 0.000 0.277 99 R C -0.533 175.757 176.300 -0.018 0.000 0.940 99 R CA 0.251 56.344 56.100 -0.011 0.000 0.664 99 R CB -3.251 27.047 30.300 -0.004 0.000 1.551 99 R HN 0.330 nan 8.270 nan 0.000 0.455 100 S N -0.345 115.344 115.700 -0.019 0.000 2.541 100 S HA 0.757 5.227 4.470 0.000 0.000 0.280 100 S C -2.694 171.899 174.600 -0.012 0.000 1.112 100 S CA -1.652 56.532 58.200 -0.027 0.000 0.925 100 S CB 3.516 66.684 63.200 -0.054 0.000 1.067 100 S HN 0.118 nan 8.310 nan 0.000 0.479 101 P HA 0.292 nan 4.420 nan 0.000 0.260 101 P C -0.828 176.472 177.300 0.000 0.000 1.651 101 P CA -0.231 62.867 63.100 -0.003 0.000 1.139 101 P CB 0.300 31.997 31.700 -0.005 0.000 1.756 102 V N 5.400 125.321 119.914 0.011 0.000 2.483 102 V HA 0.301 4.421 4.120 0.000 0.000 0.295 102 V C 0.599 176.721 176.094 0.046 0.000 1.035 102 V CA -0.800 61.515 62.300 0.025 0.000 0.896 102 V CB 2.044 33.879 31.823 0.019 0.000 0.986 102 V HN 0.301 nan 8.190 nan 0.000 0.447 103 I N 4.296 124.899 120.570 0.055 0.000 2.301 103 I HA 0.498 4.668 4.170 0.000 0.000 0.292 103 I C 0.563 176.745 176.117 0.109 0.000 1.046 103 I CA -0.182 61.160 61.300 0.069 0.000 1.282 103 I CB 0.840 38.867 38.000 0.044 0.000 1.409 103 I HN 0.677 nan 8.210 nan 0.000 0.484 104 A N 8.306 131.210 122.820 0.139 0.000 2.276 104 A HA 0.832 5.152 4.320 0.000 0.000 0.316 104 A C -0.492 177.161 177.584 0.115 0.000 1.229 104 A CA -0.469 51.676 52.037 0.180 0.000 0.851 104 A CB 0.756 19.909 19.000 0.255 0.000 1.165 104 A HN 0.681 nan 8.150 nan 0.000 0.513 105 L N 1.968 123.203 121.223 0.019 0.000 2.385 105 L HA 0.786 5.126 4.340 0.000 0.000 0.273 105 L C 0.114 176.701 176.870 -0.471 0.000 0.990 105 L CA -0.390 54.298 54.840 -0.253 0.000 0.821 105 L CB 2.137 44.114 42.059 -0.137 0.000 1.279 105 L HN 0.791 nan 8.230 nan 0.000 0.412 106 A N 2.096 124.614 122.820 -0.504 0.000 2.449 106 A HA 0.902 5.222 4.320 0.000 0.000 0.302 106 A C -0.372 176.963 177.584 -0.414 0.000 1.048 106 A CA -0.448 51.332 52.037 -0.428 0.000 0.708 106 A CB 1.628 20.649 19.000 0.035 0.000 1.274 106 A HN 0.769 nan 8.150 nan 0.000 0.410 107 A N 0.769 123.374 122.820 -0.359 0.000 2.406 107 A HA 0.578 4.898 4.320 0.000 0.000 0.243 107 A C 0.154 177.687 177.584 -0.086 0.000 1.082 107 A CA 0.310 52.253 52.037 -0.156 0.000 0.786 107 A CB 0.423 19.416 19.000 -0.011 0.000 1.029 107 A HN 1.145 nan 8.150 nan 0.000 0.495 108 Q N -0.148 119.615 119.800 -0.061 0.000 2.501 108 Q HA 0.525 4.865 4.340 0.000 0.000 0.288 108 Q C -0.496 175.474 176.000 -0.050 0.000 1.051 108 Q CA -0.328 55.443 55.803 -0.052 0.000 0.788 108 Q CB 1.716 30.416 28.738 -0.063 0.000 1.469 108 Q HN 0.752 nan 8.270 nan 0.000 0.416 109 S N 1.703 117.367 115.700 -0.061 0.000 2.559 109 S HA 0.035 4.505 4.470 0.000 0.000 0.282 109 S C -0.597 173.932 174.600 -0.118 0.000 1.336 109 S CA -0.089 58.066 58.200 -0.076 0.000 1.037 109 S CB 0.009 63.156 63.200 -0.088 0.000 0.853 109 S HN 0.567 nan 8.310 nan 0.000 0.523 110 E N 1.793 121.908 120.200 -0.143 0.000 2.900 110 E HA -0.068 4.282 4.350 0.000 0.000 0.259 110 E C 1.335 177.736 176.600 -0.332 0.000 0.918 110 E CA 0.594 56.856 56.400 -0.230 0.000 0.960 110 E CB 0.191 29.691 29.700 -0.334 0.000 0.908 110 E HN 0.654 nan 8.360 nan 0.000 0.511 111 S N 3.540 119.121 115.700 -0.198 0.000 2.387 111 S HA -0.299 4.171 4.470 0.000 0.000 0.230 111 S C 1.633 176.119 174.600 -0.190 0.000 1.035 111 S CA 1.677 59.787 58.200 -0.151 0.000 1.014 111 S CB -0.537 62.633 63.200 -0.049 0.000 0.836 111 S HN 0.786 nan 8.310 nan 0.000 0.466 112 H N -0.491 118.528 119.070 -0.086 0.000 2.555 112 H HA 0.227 4.783 4.556 0.000 0.000 0.269 112 H C 0.398 175.643 175.328 -0.139 0.000 0.988 112 H CA 1.074 57.069 56.048 -0.088 0.000 1.178 112 H CB -0.309 29.440 29.762 -0.021 0.000 1.373 112 H HN 0.465 nan 8.280 nan 0.000 0.588 113 D N 0.726 120.818 120.400 -0.514 0.000 2.501 113 D HA 0.209 4.849 4.640 0.000 0.000 0.224 113 D C -0.129 175.889 176.300 -0.470 0.000 1.202 113 D CA -0.318 53.476 54.000 -0.343 0.000 0.829 113 D CB -0.106 40.539 40.800 -0.258 0.000 1.023 113 D HN 0.282 nan 8.370 nan 0.000 0.499 114 I N 1.560 121.751 120.570 -0.633 0.000 2.329 114 I HA 0.126 4.296 4.170 0.000 0.000 0.295 114 I C -0.583 175.103 176.117 -0.718 0.000 1.109 114 I CA 0.054 61.064 61.300 -0.483 0.000 1.297 114 I CB -0.036 37.780 38.000 -0.306 0.000 1.433 114 I HN -0.100 nan 8.210 nan 0.000 0.509 115 F N 7.328 127.267 119.950 -0.018 0.000 2.691 115 F HA 0.390 4.917 4.527 0.000 0.000 0.371 115 F C -2.291 173.504 175.800 -0.009 0.000 1.159 115 F CA -2.845 55.151 58.000 -0.007 0.000 1.174 115 F CB 0.676 39.677 39.000 0.001 0.000 1.419 115 F HN 0.240 nan 8.300 nan 0.000 0.514 116 P HA 0.076 nan 4.420 nan 0.000 0.265 116 P C 0.141 177.482 177.300 0.068 0.000 1.193 116 P CA 0.654 63.789 63.100 0.057 0.000 0.765 116 P CB 0.444 32.161 31.700 0.028 0.000 0.823 117 N N 0.906 119.632 118.700 0.044 0.000 2.863 117 N HA -0.169 4.571 4.740 0.000 0.000 0.245 117 N C 0.220 175.760 175.510 0.049 0.000 1.001 117 N CA 1.403 54.474 53.050 0.036 0.000 0.901 117 N CB -1.507 36.995 38.487 0.025 0.000 1.124 117 N HN 0.518 nan 8.380 nan 0.000 0.582 118 D N -0.925 119.523 120.400 0.081 0.000 2.680 118 D HA 0.082 4.722 4.640 0.000 0.000 0.295 118 D C 0.166 176.530 176.300 0.107 0.000 1.097 118 D CA 0.645 54.692 54.000 0.078 0.000 0.952 118 D CB 0.032 40.865 40.800 0.056 0.000 1.491 118 D HN 0.048 nan 8.370 nan 0.000 0.486 119 T N 1.557 116.211 114.554 0.166 0.000 2.930 119 T HA -0.030 4.320 4.350 0.000 0.000 0.306 119 T C 0.419 175.195 174.700 0.127 0.000 1.045 119 T CA -0.052 62.149 62.100 0.168 0.000 1.134 119 T CB 0.615 69.591 68.868 0.179 0.000 0.961 119 T HN 0.096 nan 8.240 nan 0.000 0.545 120 H N 3.175 122.274 119.070 0.048 0.000 3.167 120 H HA -0.093 4.463 4.556 0.000 0.000 0.306 120 H C 0.822 176.165 175.328 0.026 0.000 0.965 120 H CA 0.926 56.993 56.048 0.032 0.000 1.408 120 H CB 0.138 29.917 29.762 0.029 0.000 1.406 120 H HN 0.800 nan 8.280 nan 0.000 0.576 121 Q N 1.487 121.024 119.800 -0.439 0.000 2.452 121 Q HA -0.247 4.093 4.340 0.000 0.000 0.248 121 Q C -0.185 175.732 176.000 -0.138 0.000 0.874 121 Q CA 1.018 56.623 55.803 -0.329 0.000 1.208 121 Q CB -1.718 26.770 28.738 -0.418 0.000 1.569 121 Q HN 0.545 nan 8.270 nan 0.000 0.579 122 C N 1.300 120.557 119.300 -0.072 0.000 2.239 122 C HA 0.659 5.119 4.460 0.000 0.000 0.325 122 C C 0.144 175.123 174.990 -0.019 0.000 1.231 122 C CA -0.499 58.499 59.018 -0.033 0.000 1.652 122 C CB -0.366 27.374 27.740 -0.001 0.000 2.284 122 C HN 0.338 nan 8.230 nan 0.000 0.499 123 L N 4.526 125.734 121.223 -0.025 0.000 2.333 123 L HA 0.433 4.773 4.340 0.000 0.000 0.269 123 L C 0.102 176.963 176.870 -0.015 0.000 1.010 123 L CA -0.479 54.349 54.840 -0.020 0.000 0.818 123 L CB 1.334 43.375 42.059 -0.030 0.000 1.306 123 L HN 0.493 nan 8.230 nan 0.000 0.430 124 D N 0.621 121.013 120.400 -0.013 0.000 2.545 124 D HA 0.049 4.689 4.640 0.000 0.000 0.227 124 D C 0.944 177.236 176.300 -0.014 0.000 1.150 124 D CA 0.229 54.222 54.000 -0.011 0.000 1.046 124 D CB 0.621 41.415 40.800 -0.011 0.000 1.098 124 D HN 0.462 nan 8.370 nan 0.000 0.502 125 S N 0.798 116.505 115.700 0.011 0.000 2.365 125 S HA -0.157 4.313 4.470 0.000 0.000 0.225 125 S C 2.181 176.788 174.600 0.012 0.000 1.039 125 S CA 0.794 59.006 58.200 0.020 0.000 1.033 125 S CB 0.034 63.348 63.200 0.191 0.000 0.887 125 S HN 0.426 nan 8.310 nan 0.000 0.447 126 V N 2.001 121.984 119.914 0.116 0.000 2.295 126 V HA -0.200 3.920 4.120 0.000 0.000 0.246 126 V C 2.677 178.766 176.094 -0.008 0.000 1.049 126 V CA 1.692 64.056 62.300 0.106 0.000 1.024 126 V CB -1.268 30.598 31.823 0.072 0.000 0.648 126 V HN 0.558 nan 8.190 nan 0.000 0.447 127 A N -0.156 122.651 122.820 -0.022 0.000 1.933 127 A HA -0.171 4.149 4.320 0.000 0.000 0.218 127 A C 2.166 179.713 177.584 -0.062 0.000 1.175 127 A CA 1.923 53.938 52.037 -0.037 0.000 0.628 127 A CB -0.543 18.441 19.000 -0.027 0.000 0.814 127 A HN 0.524 nan 8.150 nan 0.000 0.444 128 I N -0.732 119.786 120.570 -0.086 0.000 2.252 128 I HA -0.169 4.001 4.170 0.000 0.000 0.245 128 I C 2.097 178.119 176.117 -0.158 0.000 1.102 128 I CA 1.014 62.247 61.300 -0.112 0.000 1.385 128 I CB -0.072 37.856 38.000 -0.121 0.000 1.064 128 I HN 0.150 nan 8.210 nan 0.000 0.414 129 V N 0.411 120.181 119.914 -0.240 0.000 2.878 129 V HA 0.009 4.129 4.120 0.000 0.000 0.250 129 V C 2.584 178.581 176.094 -0.161 0.000 1.075 129 V CA 1.151 63.263 62.300 -0.313 0.000 1.096 129 V CB -0.444 30.914 31.823 -0.775 0.000 0.724 129 V HN 0.403 nan 8.190 nan 0.000 0.467 130 A N 1.177 123.938 122.820 -0.098 0.000 1.927 130 A HA -0.181 4.139 4.320 0.000 0.000 0.220 130 A C 0.520 178.083 177.584 -0.034 0.000 1.185 130 A CA 2.317 54.327 52.037 -0.045 0.000 0.639 130 A CB -1.903 17.076 19.000 -0.036 0.000 0.820 130 A HN 0.557 nan 8.150 nan 0.000 0.451 131 P HA -0.066 nan 4.420 nan 0.000 0.226 131 P C 1.034 178.319 177.300 -0.026 0.000 1.153 131 P CA 1.304 64.386 63.100 -0.030 0.000 0.777 131 P CB -0.093 31.586 31.700 -0.034 0.000 0.794 132 M N -3.021 116.557 119.600 -0.036 0.000 2.692 132 M HA 0.390 4.870 4.480 0.000 0.000 0.372 132 M C -0.374 175.919 176.300 -0.013 0.000 1.192 132 M CA -0.430 54.853 55.300 -0.027 0.000 0.928 132 M CB 0.601 33.177 32.600 -0.040 0.000 1.366 132 M HN -0.260 nan 8.290 nan 0.000 0.517 133 S N -1.207 114.496 115.700 0.004 0.000 2.618 133 S HA 0.592 5.062 4.470 0.000 0.000 0.277 133 S C 0.283 174.922 174.600 0.064 0.000 1.138 133 S CA -0.938 57.286 58.200 0.041 0.000 0.844 133 S CB 1.769 65.007 63.200 0.064 0.000 1.127 133 S HN 0.171 nan 8.310 nan 0.000 0.474 134 K N -0.292 120.166 120.400 0.097 0.000 2.305 134 K HA 0.223 4.543 4.320 0.000 0.000 0.199 134 K C -0.483 176.236 176.600 0.197 0.000 1.047 134 K CA 0.902 57.257 56.287 0.113 0.000 0.976 134 K CB -0.452 32.103 32.500 0.092 0.000 0.765 134 K HN 0.735 nan 8.250 nan 0.000 0.474 135 Y N -1.077 119.247 120.300 0.039 0.000 2.522 135 Y HA 0.409 4.959 4.550 0.000 0.000 0.326 135 Y C -2.157 173.794 175.900 0.085 0.000 1.198 135 Y CA -1.097 57.029 58.100 0.043 0.000 1.112 135 Y CB 1.244 39.718 38.460 0.024 0.000 1.342 135 Y HN -0.072 nan 8.280 nan 0.000 0.460 136 A N 4.812 127.408 122.820 -0.373 0.000 2.480 136 A HA 0.756 5.076 4.320 0.000 0.000 0.289 136 A C -1.910 175.469 177.584 -0.342 0.000 1.044 136 A CA -0.045 51.907 52.037 -0.142 0.000 0.761 136 A CB 0.574 19.623 19.000 0.081 0.000 1.289 136 A HN 1.655 nan 8.150 nan 0.000 0.401 137 V N -0.779 118.953 119.914 -0.303 0.000 3.159 137 V HA 0.839 4.959 4.120 0.000 0.000 0.308 137 V C -0.588 175.392 176.094 -0.189 0.000 1.190 137 V CA -0.790 61.351 62.300 -0.264 0.000 1.037 137 V CB 1.776 33.425 31.823 -0.291 0.000 1.060 137 V HN 0.986 nan 8.190 nan 0.000 0.437 138 E N 1.504 121.623 120.200 -0.135 0.000 2.171 138 E HA 0.529 4.879 4.350 0.000 0.000 0.271 138 E C -1.118 175.420 176.600 -0.104 0.000 0.916 138 E CA -1.012 55.313 56.400 -0.125 0.000 0.774 138 E CB 1.989 31.637 29.700 -0.085 0.000 1.128 138 E HN 0.834 nan 8.360 nan 0.000 0.403 139 L N 4.034 125.193 121.223 -0.106 0.000 2.490 139 L HA -0.027 4.313 4.340 0.000 0.000 0.274 139 L C 0.408 177.241 176.870 -0.062 0.000 1.201 139 L CA 1.246 56.040 54.840 -0.076 0.000 0.869 139 L CB 0.555 42.573 42.059 -0.068 0.000 1.123 139 L HN 0.767 nan 8.230 nan 0.000 0.484 140 Q N 3.473 123.241 119.800 -0.054 0.000 2.313 140 Q HA 0.307 4.647 4.340 0.000 0.000 0.263 140 Q C -0.228 175.756 176.000 -0.025 0.000 0.820 140 Q CA 0.006 55.786 55.803 -0.039 0.000 0.974 140 Q CB 0.991 29.708 28.738 -0.036 0.000 1.156 140 Q HN 0.582 nan 8.270 nan 0.000 0.517 141 R N 0.557 121.030 120.500 -0.045 0.000 2.473 141 R HA 0.236 4.576 4.340 0.000 0.000 0.303 141 R C -2.287 173.979 176.300 -0.057 0.000 1.002 141 R CA -1.742 54.343 56.100 -0.025 0.000 0.884 141 R CB 1.589 31.872 30.300 -0.027 0.000 1.173 141 R HN -0.127 nan 8.270 nan 0.000 0.464 142 P HA -0.291 nan 4.420 nan 0.000 0.217 142 P C 0.914 178.232 177.300 0.029 0.000 1.158 142 P CA 1.478 64.598 63.100 0.032 0.000 0.887 142 P CB 0.025 31.766 31.700 0.068 0.000 0.792 143 H N -0.801 118.280 119.070 0.018 0.000 2.559 143 H HA 0.071 4.627 4.556 0.000 0.000 0.273 143 H C 1.113 176.457 175.328 0.026 0.000 1.000 143 H CA 0.876 56.938 56.048 0.022 0.000 1.195 143 H CB -0.614 29.158 29.762 0.017 0.000 1.368 143 H HN 0.253 nan 8.280 nan 0.000 0.592 144 E N 0.185 120.100 120.200 -0.475 0.000 2.435 144 E HA -0.013 4.337 4.350 0.000 0.000 0.195 144 E C 1.734 178.268 176.600 -0.110 0.000 1.029 144 E CA 0.049 56.253 56.400 -0.326 0.000 0.865 144 E CB 0.077 29.582 29.700 -0.324 0.000 0.833 144 E HN 0.252 nan 8.360 nan 0.000 0.510 145 I N 1.297 121.830 120.570 -0.062 0.000 2.315 145 I HA -0.289 3.881 4.170 0.000 0.000 0.251 145 I C 1.902 178.030 176.117 0.018 0.000 1.125 145 I CA 1.618 62.913 61.300 -0.008 0.000 1.392 145 I CB -0.348 37.661 38.000 0.015 0.000 1.065 145 I HN 0.003 nan 8.210 nan 0.000 0.424 146 T N 0.675 115.245 114.554 0.027 0.000 2.708 146 T HA -0.195 4.155 4.350 0.000 0.000 0.266 146 T C 1.416 176.142 174.700 0.043 0.000 1.037 146 T CA 1.794 63.923 62.100 0.049 0.000 1.146 146 T CB -0.562 68.342 68.868 0.060 0.000 0.865 146 T HN 0.688 nan 8.240 nan 0.000 0.435 147 D N 1.127 121.542 120.400 0.024 0.000 2.224 147 D HA -0.027 4.613 4.640 0.000 0.000 0.205 147 D C 1.976 178.284 176.300 0.013 0.000 0.965 147 D CA 0.613 54.625 54.000 0.021 0.000 0.852 147 D CB -0.675 40.135 40.800 0.016 0.000 0.947 147 D HN 0.332 nan 8.370 nan 0.000 0.494 148 L N 0.223 121.459 121.223 0.023 0.000 2.056 148 L HA -0.096 4.244 4.340 0.000 0.000 0.207 148 L C 2.535 179.408 176.870 0.006 0.000 1.078 148 L CA 0.595 55.471 54.840 0.060 0.000 0.749 148 L CB -0.379 41.720 42.059 0.067 0.000 0.901 148 L HN 0.051 nan 8.230 nan 0.000 0.433 149 V N 0.045 119.959 119.914 0.001 0.000 2.287 149 V HA -0.311 3.809 4.120 0.000 0.000 0.248 149 V C 2.143 178.167 176.094 -0.116 0.000 1.053 149 V CA 1.996 64.276 62.300 -0.033 0.000 1.027 149 V CB -0.525 31.317 31.823 0.033 0.000 0.646 149 V HN 0.435 nan 8.190 nan 0.000 0.447 150 D N -0.063 120.315 120.400 -0.037 0.000 2.097 150 D HA -0.124 4.516 4.640 0.000 0.000 0.195 150 D C 2.452 178.654 176.300 -0.164 0.000 0.989 150 D CA 1.728 55.709 54.000 -0.031 0.000 0.827 150 D CB -0.319 40.518 40.800 0.061 0.000 0.966 150 D HN 0.368 nan 8.370 nan 0.000 0.456 151 S N 0.234 115.798 115.700 -0.226 0.000 2.383 151 S HA -0.089 4.381 4.470 0.000 0.000 0.227 151 S C 2.050 176.164 174.600 -0.811 0.000 1.026 151 S CA 0.956 58.899 58.200 -0.429 0.000 0.981 151 S CB -0.157 62.820 63.200 -0.372 0.000 0.818 151 S HN 0.362 nan 8.310 nan 0.000 0.472 152 A N 1.263 123.613 122.820 -0.783 0.000 1.858 152 A HA -0.057 4.263 4.320 0.000 0.000 0.216 152 A C 2.339 179.731 177.584 -0.319 0.000 1.190 152 A CA 1.588 53.276 52.037 -0.582 0.000 0.617 152 A CB -1.034 17.861 19.000 -0.174 0.000 0.827 152 A HN 0.327 nan 8.150 nan 0.000 0.443 153 V N 1.034 120.768 119.914 -0.301 0.000 2.287 153 V HA -0.301 3.819 4.120 0.000 0.000 0.248 153 V C 2.381 178.363 176.094 -0.187 0.000 1.053 153 V CA 2.272 64.409 62.300 -0.272 0.000 1.027 153 V CB -1.087 30.436 31.823 -0.500 0.000 0.646 153 V HN 0.554 nan 8.190 nan 0.000 0.447 154 N N 0.492 119.078 118.700 -0.189 0.000 2.061 154 N HA -0.166 4.574 4.740 0.000 0.000 0.193 154 N C 1.829 177.275 175.510 -0.107 0.000 1.030 154 N CA 1.909 54.886 53.050 -0.123 0.000 0.856 154 N CB -0.566 37.849 38.487 -0.121 0.000 1.023 154 N HN 0.517 nan 8.380 nan 0.000 0.424 155 A N 0.544 123.271 122.820 -0.156 0.000 1.929 155 A HA 0.168 4.488 4.320 0.000 0.000 0.216 155 A C 2.314 179.878 177.584 -0.033 0.000 1.176 155 A CA 1.621 53.614 52.037 -0.074 0.000 0.628 155 A CB -0.787 18.183 19.000 -0.049 0.000 0.816 155 A HN 0.302 nan 8.150 nan 0.000 0.444 156 A N -1.051 121.738 122.820 -0.052 0.000 1.940 156 A HA -0.084 4.236 4.320 0.000 0.000 0.219 156 A C 1.858 179.431 177.584 -0.019 0.000 1.176 156 A CA 1.773 53.796 52.037 -0.022 0.000 0.631 156 A CB -0.361 18.620 19.000 -0.032 0.000 0.814 156 A HN 0.396 nan 8.150 nan 0.000 0.446 157 M N 0.644 120.226 119.600 -0.030 0.000 2.493 157 M HA 0.122 4.602 4.480 0.000 0.000 0.244 157 M C -0.440 175.855 176.300 -0.009 0.000 1.182 157 M CA 0.495 55.786 55.300 -0.015 0.000 0.981 157 M CB -0.644 31.946 32.600 -0.016 0.000 1.551 157 M HN 0.147 nan 8.290 nan 0.000 0.476 158 T N 1.069 115.618 114.554 -0.009 0.000 2.794 158 T HA 0.285 4.636 4.350 0.000 0.000 0.280 158 T C 0.337 175.037 174.700 0.000 0.000 0.987 158 T CA -0.649 61.449 62.100 -0.004 0.000 0.993 158 T CB 1.938 70.803 68.868 -0.004 0.000 0.939 158 T HN 0.087 nan 8.240 nan 0.000 0.449 159 E N 4.039 124.237 120.200 -0.002 0.000 2.384 159 E HA 0.134 4.484 4.350 0.000 0.000 0.266 159 E C -2.074 174.527 176.600 0.002 0.000 1.012 159 E CA -1.753 54.646 56.400 -0.001 0.000 0.901 159 E CB 0.428 30.123 29.700 -0.008 0.000 0.967 159 E HN 0.371 nan 8.360 nan 0.000 0.435 160 P HA -0.001 nan 4.420 nan 0.000 0.271 160 P C 0.149 177.454 177.300 0.008 0.000 1.233 160 P CA -0.224 62.880 63.100 0.007 0.000 0.764 160 P CB 0.484 32.189 31.700 0.008 0.000 0.825 161 V N 1.899 121.817 119.914 0.008 0.000 2.963 161 V HA 0.726 4.846 4.120 0.000 0.000 0.306 161 V C 0.457 176.556 176.094 0.008 0.000 1.077 161 V CA 0.590 62.894 62.300 0.007 0.000 1.124 161 V CB 0.237 32.064 31.823 0.008 0.000 0.987 161 V HN 0.867 nan 8.190 nan 0.000 0.487 162 G N 3.422 112.229 108.800 0.012 0.000 2.489 162 G HA2 0.646 4.606 3.960 0.000 0.000 0.305 162 G HA3 0.646 4.606 3.960 0.000 0.000 0.305 162 G C -3.480 171.437 174.900 0.028 0.000 1.311 162 G CA -0.541 44.569 45.100 0.018 0.000 0.813 162 G HN 0.748 nan 8.290 nan 0.000 0.480 163 P HA 0.535 nan 4.420 nan 0.000 0.284 163 P C -0.748 176.615 177.300 0.106 0.000 1.258 163 P CA -0.304 62.834 63.100 0.063 0.000 0.824 163 P CB 1.981 33.718 31.700 0.063 0.000 1.038 164 S N 1.098 116.878 115.700 0.134 0.000 2.536 164 S HA 0.652 5.122 4.470 0.000 0.000 0.298 164 S C -1.070 173.696 174.600 0.278 0.000 1.083 164 S CA -0.309 58.028 58.200 0.228 0.000 0.995 164 S CB 0.702 64.008 63.200 0.178 0.000 1.058 164 S HN 0.446 nan 8.310 nan 0.000 0.488 165 F N 2.786 122.813 119.950 0.128 0.000 2.520 165 F HA 0.728 5.255 4.527 0.000 0.000 0.322 165 F C -1.406 174.415 175.800 0.035 0.000 1.103 165 F CA -1.008 57.017 58.000 0.043 0.000 0.926 165 F CB 0.724 39.718 39.000 -0.011 0.000 1.154 165 F HN 0.440 nan 8.300 nan 0.000 0.453 166 I N 4.533 124.603 120.570 -0.833 0.000 2.447 166 I HA 0.268 4.438 4.170 0.000 0.000 0.287 166 I C -0.590 174.892 176.117 -1.060 0.000 1.023 166 I CA -0.790 60.084 61.300 -0.710 0.000 1.083 166 I CB 1.970 39.808 38.000 -0.269 0.000 1.245 166 I HN 0.510 nan 8.210 nan 0.000 0.434 167 S N 6.910 122.115 115.700 -0.825 0.000 2.457 167 S HA 0.663 5.133 4.470 0.000 0.000 0.289 167 S C -0.594 173.836 174.600 -0.282 0.000 1.163 167 S CA -0.451 57.442 58.200 -0.512 0.000 1.078 167 S CB 0.370 63.436 63.200 -0.223 0.000 0.987 167 S HN 0.451 nan 8.310 nan 0.000 0.482 168 L N 6.965 128.049 121.223 -0.231 0.000 2.366 168 L HA 0.404 4.744 4.340 0.000 0.000 0.266 168 L C -2.445 174.377 176.870 -0.080 0.000 1.010 168 L CA -2.068 52.689 54.840 -0.139 0.000 0.879 168 L CB 1.584 43.568 42.059 -0.126 0.000 1.228 168 L HN 0.429 nan 8.230 nan 0.000 0.439 169 P HA -0.037 nan 4.420 nan 0.000 0.264 169 P C 1.223 178.512 177.300 -0.018 0.000 1.193 169 P CA -0.175 62.895 63.100 -0.051 0.000 0.763 169 P CB 0.950 32.614 31.700 -0.060 0.000 0.810 170 V N 1.516 121.425 119.914 -0.007 0.000 2.392 170 V HA -0.262 3.858 4.120 0.000 0.000 0.249 170 V C 1.711 177.821 176.094 0.026 0.000 1.059 170 V CA 2.268 64.583 62.300 0.025 0.000 1.051 170 V CB -1.383 30.461 31.823 0.035 0.000 0.658 170 V HN 0.509 nan 8.190 nan 0.000 0.455 171 D N 1.117 121.530 120.400 0.021 0.000 2.117 171 D HA -0.214 4.426 4.640 0.000 0.000 0.197 171 D C 2.076 178.397 176.300 0.035 0.000 0.987 171 D CA 1.929 55.954 54.000 0.042 0.000 0.829 171 D CB -0.546 40.301 40.800 0.079 0.000 0.961 171 D HN 0.526 nan 8.370 nan 0.000 0.460 172 L N -0.512 120.725 121.223 0.023 0.000 2.109 172 L HA -0.055 4.285 4.340 0.000 0.000 0.207 172 L C 2.656 179.540 176.870 0.023 0.000 1.086 172 L CA 0.243 55.096 54.840 0.021 0.000 0.760 172 L CB -0.424 41.638 42.059 0.006 0.000 0.910 172 L HN 0.045 nan 8.230 nan 0.000 0.437 173 L N 0.671 121.910 121.223 0.026 0.000 2.079 173 L HA -0.093 4.247 4.340 0.000 0.000 0.210 173 L C 2.093 178.978 176.870 0.025 0.000 1.081 173 L CA 1.980 56.843 54.840 0.038 0.000 0.752 173 L CB -0.946 41.154 42.059 0.068 0.000 0.896 173 L HN 0.143 nan 8.230 nan 0.000 0.433 174 G N -1.705 107.107 108.800 0.020 0.000 3.181 174 G HA2 0.047 4.007 3.960 0.000 0.000 0.219 174 G HA3 0.047 4.007 3.960 0.000 0.000 0.219 174 G C 0.480 175.387 174.900 0.012 0.000 1.182 174 G CA 0.506 45.612 45.100 0.009 0.000 0.791 174 G HN 0.368 nan 8.290 nan 0.000 0.537 175 S N -0.179 115.533 115.700 0.020 0.000 2.578 175 S HA 0.448 4.918 4.470 0.000 0.000 0.283 175 S C 1.283 175.896 174.600 0.023 0.000 1.195 175 S CA 0.141 58.353 58.200 0.022 0.000 1.050 175 S CB 1.494 64.711 63.200 0.029 0.000 1.012 175 S HN 0.289 nan 8.310 nan 0.000 0.511 176 S N 2.243 117.952 115.700 0.015 0.000 2.578 176 S HA 0.234 4.704 4.470 0.000 0.000 0.231 176 S C 0.265 174.875 174.600 0.017 0.000 0.994 176 S CA -0.448 57.759 58.200 0.011 0.000 0.956 176 S CB -0.282 62.912 63.200 -0.010 0.000 0.870 176 S HN 0.830 nan 8.310 nan 0.000 0.494 177 E N 1.432 121.649 120.200 0.027 0.000 2.498 177 E HA 0.325 4.675 4.350 0.000 0.000 0.252 177 E C 1.196 177.823 176.600 0.046 0.000 1.025 177 E CA 0.907 57.324 56.400 0.029 0.000 0.938 177 E CB -0.460 29.262 29.700 0.037 0.000 0.947 177 E HN 0.599 nan 8.360 nan 0.000 0.478 178 G N 4.238 113.033 108.800 -0.007 0.000 2.179 178 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 178 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 178 G C 0.241 175.115 174.900 -0.043 0.000 0.977 178 G CA 0.183 45.233 45.100 -0.084 0.000 0.641 178 G HN 0.572 nan 8.290 nan 0.000 0.533 179 I N 1.284 121.863 120.570 0.016 0.000 2.342 179 I HA 0.458 4.628 4.170 0.000 0.000 0.291 179 I C -0.573 175.541 176.117 -0.005 0.000 1.010 179 I CA -0.447 60.871 61.300 0.032 0.000 1.308 179 I CB 1.512 39.539 38.000 0.045 0.000 1.400 179 I HN 0.020 nan 8.210 nan 0.000 0.488 180 D N 4.162 124.562 120.400 -0.001 0.000 2.402 180 D HA 0.136 4.776 4.640 0.000 0.000 0.252 180 D C 0.664 176.962 176.300 -0.002 0.000 1.294 180 D CA -0.374 53.617 54.000 -0.014 0.000 0.948 180 D CB 1.361 42.150 40.800 -0.020 0.000 1.202 180 D HN 0.595 nan 8.370 nan 0.000 0.561 181 T N -0.844 113.699 114.554 -0.018 0.000 3.129 181 T HA -0.040 4.310 4.350 0.000 0.000 0.251 181 T C 1.631 176.332 174.700 0.002 0.000 1.117 181 T CA 0.927 63.026 62.100 -0.001 0.000 1.034 181 T CB -0.137 68.704 68.868 -0.045 0.000 0.968 181 T HN 0.342 nan 8.240 nan 0.000 0.526 182 T N 0.120 114.669 114.554 -0.008 0.000 2.942 182 T HA 0.107 4.457 4.350 0.000 0.000 0.265 182 T C 0.855 175.556 174.700 0.003 0.000 1.062 182 T CA 0.045 62.142 62.100 -0.005 0.000 1.139 182 T CB -0.774 68.087 68.868 -0.011 0.000 0.883 182 T HN 0.241 nan 8.240 nan 0.000 0.468 183 V N 4.668 124.584 119.914 0.004 0.000 2.439 183 V HA 0.269 4.389 4.120 0.000 0.000 0.271 183 V C -2.018 174.086 176.094 0.016 0.000 1.040 183 V CA -1.742 60.562 62.300 0.008 0.000 1.002 183 V CB 0.309 32.136 31.823 0.007 0.000 1.000 183 V HN 0.381 nan 8.190 nan 0.000 0.477 184 P HA 0.141 nan 4.420 nan 0.000 0.269 184 P C -0.155 177.156 177.300 0.018 0.000 1.209 184 P CA -0.381 62.729 63.100 0.017 0.000 0.776 184 P CB 0.391 32.097 31.700 0.010 0.000 0.876 185 N N 2.545 121.257 118.700 0.019 0.000 2.441 185 N HA 0.114 4.854 4.740 0.000 0.000 0.251 185 N C -1.887 173.626 175.510 0.005 0.000 1.242 185 N CA -0.846 52.214 53.050 0.017 0.000 0.898 185 N CB -0.736 37.758 38.487 0.012 0.000 1.100 185 N HN 0.378 nan 8.380 nan 0.000 0.443 186 P HA 0.177 nan 4.420 nan 0.000 0.270 186 P C -2.500 174.789 177.300 -0.019 0.000 1.227 186 P CA -0.713 62.387 63.100 0.000 0.000 0.788 186 P CB -0.670 31.036 31.700 0.010 0.000 0.926 187 P HA 0.044 nan 4.420 nan 0.000 0.266 187 P C 0.551 177.810 177.300 -0.070 0.000 1.195 187 P CA 0.122 63.197 63.100 -0.042 0.000 0.768 187 P CB 0.224 31.909 31.700 -0.025 0.000 0.838 188 A N 3.302 126.037 122.820 -0.141 0.000 1.897 188 A HA -0.121 4.199 4.320 0.000 0.000 0.215 188 A C 0.815 178.334 177.584 -0.107 0.000 1.181 188 A CA 1.275 53.147 52.037 -0.276 0.000 0.620 188 A CB -1.493 17.138 19.000 -0.615 0.000 0.821 188 A HN 0.774 nan 8.150 nan 0.000 0.443 189 N N -0.488 118.176 118.700 -0.059 0.000 2.735 189 N HA -0.123 4.617 4.740 0.000 0.000 0.248 189 N C -0.768 174.775 175.510 0.055 0.000 1.083 189 N CA 0.424 53.477 53.050 0.005 0.000 0.703 189 N CB -1.806 36.690 38.487 0.016 0.000 1.005 189 N HN 0.459 nan 8.380 nan 0.000 0.550 190 T N 1.452 116.053 114.554 0.078 0.000 2.831 190 T HA 0.168 4.518 4.350 0.000 0.000 0.291 190 T C -1.758 172.989 174.700 0.078 0.000 0.981 190 T CA -0.614 61.576 62.100 0.151 0.000 1.174 190 T CB 0.340 69.328 68.868 0.200 0.000 0.929 190 T HN 0.032 nan 8.240 nan 0.000 0.532 191 P HA 0.239 nan 4.420 nan 0.000 0.265 191 P C 0.577 177.900 177.300 0.038 0.000 1.193 191 P CA -0.309 62.815 63.100 0.039 0.000 0.765 191 P CB 0.481 32.197 31.700 0.026 0.000 0.823 192 A N 3.967 126.806 122.820 0.032 0.000 1.930 192 A HA -0.081 4.239 4.320 0.000 0.000 0.217 192 A C 0.920 178.524 177.584 0.032 0.000 1.175 192 A CA 1.383 53.439 52.037 0.032 0.000 0.627 192 A CB -0.504 18.513 19.000 0.027 0.000 0.815 192 A HN 0.681 nan 8.150 nan 0.000 0.443 193 K N -1.270 119.146 120.400 0.027 0.000 2.433 193 K HA 0.612 4.932 4.320 0.000 0.000 0.252 193 K C -3.358 173.254 176.600 0.020 0.000 1.015 193 K CA -2.301 54.002 56.287 0.027 0.000 0.860 193 K CB 0.947 33.462 32.500 0.025 0.000 1.359 193 K HN -0.209 nan 8.250 nan 0.000 0.452 194 P HA -0.011 nan 4.420 nan 0.000 0.265 194 P C -0.555 176.746 177.300 0.002 0.000 1.193 194 P CA -0.412 62.694 63.100 0.010 0.000 0.765 194 P CB 0.529 32.236 31.700 0.011 0.000 0.823 195 V N 3.133 123.047 119.914 -0.001 0.000 2.740 195 V HA 0.387 4.507 4.120 0.000 0.000 0.303 195 V C 1.184 177.270 176.094 -0.013 0.000 1.054 195 V CA 0.831 63.128 62.300 -0.005 0.000 1.106 195 V CB 0.443 32.264 31.823 -0.003 0.000 0.957 195 V HN 0.813 nan 8.190 nan 0.000 0.486 196 G N 2.763 111.549 108.800 -0.024 0.000 2.630 196 G HA2 0.629 4.589 3.960 0.000 0.000 0.296 196 G HA3 0.629 4.589 3.960 0.000 0.000 0.296 196 G C -1.160 173.717 174.900 -0.039 0.000 1.285 196 G CA -0.659 44.418 45.100 -0.038 0.000 0.958 196 G HN 0.569 nan 8.290 nan 0.000 0.479 197 V N -0.001 119.885 119.914 -0.046 0.000 2.509 197 V HA 0.544 4.664 4.120 0.000 0.000 0.284 197 V C -0.221 175.830 176.094 -0.072 0.000 1.047 197 V CA -0.478 61.798 62.300 -0.040 0.000 0.952 197 V CB 1.262 33.068 31.823 -0.028 0.000 0.988 197 V HN 0.471 nan 8.190 nan 0.000 0.469 198 V N 3.560 123.444 119.914 -0.049 0.000 2.569 198 V HA 0.704 4.824 4.120 0.000 0.000 0.301 198 V C 0.190 176.307 176.094 0.039 0.000 1.044 198 V CA -0.642 61.619 62.300 -0.064 0.000 0.874 198 V CB 1.770 33.553 31.823 -0.068 0.000 1.002 198 V HN 1.014 nan 8.190 nan 0.000 0.424 199 A N 2.785 125.651 122.820 0.077 0.000 2.331 199 A HA 0.575 4.895 4.320 0.000 0.000 0.283 199 A C -0.046 177.662 177.584 0.206 0.000 1.142 199 A CA -0.339 51.768 52.037 0.116 0.000 0.812 199 A CB 0.425 19.475 19.000 0.084 0.000 1.074 199 A HN 0.959 nan 8.150 nan 0.000 0.497 200 D N 1.498 121.976 120.400 0.129 0.000 2.533 200 D HA 0.341 4.981 4.640 0.000 0.000 0.236 200 D C 1.337 177.679 176.300 0.070 0.000 1.137 200 D CA 2.057 56.115 54.000 0.098 0.000 0.867 200 D CB 0.199 41.029 40.800 0.051 0.000 1.170 200 D HN 1.288 nan 8.370 nan 0.000 0.474 201 G N 3.799 112.600 108.800 0.000 0.000 2.136 201 G HA2 -0.271 3.689 3.960 0.000 0.000 0.242 201 G HA3 -0.271 3.689 3.960 0.000 0.000 0.242 201 G C 1.028 175.898 174.900 -0.050 0.000 0.989 201 G CA 0.444 45.504 45.100 -0.067 0.000 0.682 201 G HN 0.711 nan 8.290 nan 0.000 0.522 202 W N -0.006 121.270 121.300 -0.039 0.000 2.363 202 W HA -0.119 4.541 4.660 0.000 0.000 0.296 202 W C 1.494 177.966 176.519 -0.079 0.000 1.212 202 W CA 1.446 58.763 57.345 -0.046 0.000 1.260 202 W CB -0.779 28.659 29.460 -0.037 0.000 1.131 202 W HN 0.407 nan 8.180 nan 0.000 0.530 203 Q N 1.508 120.738 119.800 -0.950 0.000 2.124 203 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 203 Q C 2.146 177.917 176.000 -0.381 0.000 0.977 203 Q CA 2.462 57.614 55.803 -1.086 0.000 0.850 203 Q CB -0.394 27.580 28.738 -1.273 0.000 0.901 203 Q HN 0.316 nan 8.270 nan 0.000 0.429 204 K N 0.168 120.439 120.400 -0.215 0.000 2.097 204 K HA -0.019 4.301 4.320 0.000 0.000 0.205 204 K C 2.064 178.679 176.600 0.026 0.000 1.050 204 K CA 1.101 57.354 56.287 -0.056 0.000 0.938 204 K CB -0.196 32.275 32.500 -0.049 0.000 0.718 204 K HN 0.196 nan 8.250 nan 0.000 0.442 205 A N 1.526 124.372 122.820 0.042 0.000 1.902 205 A HA -0.096 4.224 4.320 0.000 0.000 0.217 205 A C 2.402 180.090 177.584 0.173 0.000 1.181 205 A CA 1.776 53.868 52.037 0.093 0.000 0.623 205 A CB -0.824 18.230 19.000 0.089 0.000 0.818 205 A HN 0.306 nan 8.150 nan 0.000 0.443 206 A N 0.183 123.152 122.820 0.248 0.000 1.908 206 A HA -0.207 4.113 4.320 0.000 0.000 0.218 206 A C 1.734 179.601 177.584 0.472 0.000 1.181 206 A CA 1.972 54.294 52.037 0.475 0.000 0.627 206 A CB -0.623 18.720 19.000 0.570 0.000 0.818 206 A HN 0.463 nan 8.150 nan 0.000 0.445 207 D N -0.352 120.235 120.400 0.311 0.000 2.144 207 D HA -0.150 4.491 4.640 0.000 0.000 0.199 207 D C 2.181 178.610 176.300 0.215 0.000 0.984 207 D CA 1.472 55.620 54.000 0.246 0.000 0.834 207 D CB -0.422 40.476 40.800 0.162 0.000 0.955 207 D HN 0.652 nan 8.370 nan 0.000 0.465 208 Q N 0.181 120.090 119.800 0.182 0.000 2.119 208 Q HA -0.017 4.323 4.340 0.000 0.000 0.201 208 Q C 2.199 178.315 176.000 0.192 0.000 0.972 208 Q CA 1.255 57.148 55.803 0.149 0.000 0.847 208 Q CB -0.081 28.716 28.738 0.099 0.000 0.903 208 Q HN 0.226 nan 8.270 nan 0.000 0.433 209 A N 1.152 124.129 122.820 0.261 0.000 1.933 209 A HA -0.099 4.221 4.320 0.000 0.000 0.218 209 A C 2.291 180.171 177.584 0.493 0.000 1.175 209 A CA 1.484 53.715 52.037 0.324 0.000 0.628 209 A CB -0.674 18.508 19.000 0.303 0.000 0.814 209 A HN 0.387 nan 8.150 nan 0.000 0.444 210 A N -0.051 123.101 122.820 0.553 0.000 1.902 210 A HA 0.169 4.489 4.320 0.000 0.000 0.217 210 A C 2.497 180.302 177.584 0.367 0.000 1.181 210 A CA 1.999 54.233 52.037 0.327 0.000 0.623 210 A CB -0.995 18.000 19.000 -0.009 0.000 0.818 210 A HN 1.042 nan 8.150 nan 0.000 0.443 211 A N -0.229 122.753 122.820 0.270 0.000 1.933 211 A HA -0.054 4.266 4.320 0.000 0.000 0.218 211 A C 2.162 179.831 177.584 0.142 0.000 1.175 211 A CA 1.498 53.645 52.037 0.183 0.000 0.628 211 A CB -0.590 18.484 19.000 0.123 0.000 0.814 211 A HN 0.480 nan 8.150 nan 0.000 0.444 212 L N -1.141 120.180 121.223 0.163 0.000 2.046 212 L HA -0.163 4.177 4.340 0.000 0.000 0.208 212 L C 2.554 179.510 176.870 0.142 0.000 1.077 212 L CA 1.156 56.071 54.840 0.126 0.000 0.747 212 L CB -0.526 41.605 42.059 0.118 0.000 0.896 212 L HN 0.481 nan 8.230 nan 0.000 0.432 213 L N 0.335 121.701 121.223 0.239 0.000 2.046 213 L HA -0.143 4.197 4.340 0.000 0.000 0.208 213 L C 2.637 179.608 176.870 0.169 0.000 1.077 213 L CA 1.966 56.967 54.840 0.267 0.000 0.747 213 L CB -0.716 41.599 42.059 0.427 0.000 0.896 213 L HN 0.137 nan 8.230 nan 0.000 0.432 214 A N -0.717 122.160 122.820 0.094 0.000 1.908 214 A HA -0.234 4.086 4.320 0.000 0.000 0.218 214 A C 2.144 179.633 177.584 -0.159 0.000 1.181 214 A CA 2.012 53.880 52.037 -0.283 0.000 0.627 214 A CB -0.604 18.103 19.000 -0.488 0.000 0.818 214 A HN 0.653 nan 8.150 nan 0.000 0.445 215 E N -0.371 119.793 120.200 -0.061 0.000 2.442 215 E HA 0.278 4.628 4.350 0.000 0.000 0.195 215 E C 0.666 177.246 176.600 -0.032 0.000 1.030 215 E CA 0.075 56.446 56.400 -0.049 0.000 0.869 215 E CB -0.021 29.665 29.700 -0.024 0.000 0.857 215 E HN 0.582 nan 8.360 nan 0.000 0.505 216 A N 1.659 124.476 122.820 -0.005 0.000 2.401 216 A HA 0.080 4.400 4.320 0.000 0.000 0.259 216 A C 0.997 178.558 177.584 -0.038 0.000 1.103 216 A CA -0.117 51.921 52.037 0.001 0.000 0.789 216 A CB 0.779 19.807 19.000 0.047 0.000 1.035 216 A HN 0.029 nan 8.150 nan 0.000 0.491 217 K N 0.552 120.899 120.400 -0.089 0.000 2.099 217 K HA -0.012 4.308 4.320 0.000 0.000 0.203 217 K C -0.282 176.153 176.600 -0.274 0.000 1.047 217 K CA 0.805 56.954 56.287 -0.231 0.000 0.963 217 K CB 0.015 32.312 32.500 -0.339 0.000 0.759 217 K HN 0.827 nan 8.250 nan 0.000 0.451 218 H N 1.252 120.336 119.070 0.023 0.000 2.541 218 H HA 0.323 4.879 4.556 0.000 0.000 0.246 218 H C -2.533 172.794 175.328 -0.002 0.000 1.341 218 H CA -2.635 53.425 56.048 0.020 0.000 1.469 218 H CB 1.173 30.918 29.762 -0.028 0.000 1.472 218 H HN 0.262 nan 8.280 nan 0.000 0.503 219 P HA 0.194 nan 4.420 nan 0.000 0.279 219 P C -0.112 177.231 177.300 0.071 0.000 1.252 219 P CA -0.541 62.613 63.100 0.090 0.000 0.811 219 P CB 2.261 34.025 31.700 0.106 0.000 1.035 220 V N -0.841 119.098 119.914 0.042 0.000 2.962 220 V HA 0.565 4.685 4.120 0.000 0.000 0.313 220 V C -0.637 175.462 176.094 0.008 0.000 1.099 220 V CA -1.182 61.129 62.300 0.019 0.000 0.971 220 V CB 1.781 33.639 31.823 0.058 0.000 1.028 220 V HN 0.264 nan 8.190 nan 0.000 0.430 221 L N 3.317 124.540 121.223 -0.001 0.000 2.264 221 L HA 0.611 4.951 4.340 0.000 0.000 0.289 221 L C -0.541 176.338 176.870 0.014 0.000 1.044 221 L CA -0.673 54.169 54.840 0.003 0.000 0.807 221 L CB 1.701 43.770 42.059 0.016 0.000 1.192 221 L HN 0.554 nan 8.230 nan 0.000 0.425 222 V N 4.994 124.911 119.914 0.004 0.000 2.328 222 V HA 0.304 4.424 4.120 0.000 0.000 0.278 222 V C 0.103 176.231 176.094 0.057 0.000 1.021 222 V CA -0.555 61.777 62.300 0.052 0.000 0.838 222 V CB 1.723 33.570 31.823 0.040 0.000 0.999 222 V HN 0.410 nan 8.190 nan 0.000 0.447 223 V N 4.525 124.479 119.914 0.065 0.000 2.435 223 V HA 0.785 4.905 4.120 0.000 0.000 0.290 223 V C 0.799 176.930 176.094 0.061 0.000 1.030 223 V CA -0.141 62.189 62.300 0.050 0.000 0.881 223 V CB 1.560 33.399 31.823 0.026 0.000 0.983 223 V HN 0.889 nan 8.190 nan 0.000 0.445 224 G N 2.183 111.014 108.800 0.052 0.000 2.552 224 G HA2 0.567 4.527 3.960 0.000 0.000 0.324 224 G HA3 0.567 4.527 3.960 0.000 0.000 0.324 224 G C 0.874 175.802 174.900 0.046 0.000 1.217 224 G CA -0.019 45.106 45.100 0.041 0.000 0.989 224 G HN 0.900 nan 8.290 nan 0.000 0.490 225 A N -0.294 122.571 122.820 0.076 0.000 2.024 225 A HA 0.155 4.476 4.320 0.000 0.000 0.220 225 A C 2.620 180.275 177.584 0.118 0.000 1.164 225 A CA 2.425 54.553 52.037 0.151 0.000 0.643 225 A CB -0.684 18.461 19.000 0.240 0.000 0.806 225 A HN 1.339 nan 8.150 nan 0.000 0.451 226 A N -0.192 122.666 122.820 0.064 0.000 2.019 226 A HA 0.161 4.481 4.320 0.000 0.000 0.219 226 A C 2.410 180.012 177.584 0.029 0.000 1.164 226 A CA 1.861 53.924 52.037 0.044 0.000 0.644 226 A CB -0.787 18.224 19.000 0.019 0.000 0.805 226 A HN 1.021 nan 8.150 nan 0.000 0.449 227 A N 0.013 122.844 122.820 0.019 0.000 1.930 227 A HA -0.028 4.292 4.320 0.000 0.000 0.217 227 A C 2.050 179.624 177.584 -0.015 0.000 1.175 227 A CA 1.407 53.446 52.037 0.005 0.000 0.627 227 A CB -0.539 18.464 19.000 0.005 0.000 0.815 227 A HN 0.515 nan 8.150 nan 0.000 0.443 228 I N -0.867 119.678 120.570 -0.042 0.000 2.252 228 I HA -0.233 3.937 4.170 0.000 0.000 0.245 228 I C 2.648 178.759 176.117 -0.011 0.000 1.102 228 I CA 1.119 62.351 61.300 -0.114 0.000 1.385 228 I CB -0.379 37.390 38.000 -0.386 0.000 1.064 228 I HN 0.240 nan 8.210 nan 0.000 0.414 229 R N 0.125 120.671 120.500 0.077 0.000 2.127 229 R HA -0.140 4.200 4.340 0.000 0.000 0.238 229 R C 2.411 178.741 176.300 0.049 0.000 1.134 229 R CA 1.518 57.676 56.100 0.098 0.000 0.975 229 R CB -0.478 29.883 30.300 0.102 0.000 0.865 229 R HN 0.237 nan 8.270 nan 0.000 0.447 230 S N -0.508 115.208 115.700 0.027 0.000 2.515 230 S HA 0.008 4.478 4.470 0.000 0.000 0.231 230 S C 1.133 175.739 174.600 0.011 0.000 0.987 230 S CA 0.829 59.037 58.200 0.013 0.000 0.936 230 S CB -0.043 63.159 63.200 0.003 0.000 0.766 230 S HN 0.648 nan 8.310 nan 0.000 0.528 231 G N 0.245 109.050 108.800 0.008 0.000 2.160 231 G HA2 -0.209 3.751 3.960 0.000 0.000 0.244 231 G HA3 -0.209 3.751 3.960 0.000 0.000 0.244 231 G C 0.491 175.391 174.900 -0.001 0.000 1.022 231 G CA 0.255 45.356 45.100 0.003 0.000 0.741 231 G HN 0.886 nan 8.290 nan 0.000 0.508 232 A N -0.937 121.880 122.820 -0.003 0.000 2.308 232 A HA 0.620 4.940 4.320 0.000 0.000 0.217 232 A C 2.211 179.792 177.584 -0.005 0.000 1.216 232 A CA 1.402 53.443 52.037 0.006 0.000 0.864 232 A CB 0.141 19.154 19.000 0.022 0.000 0.902 232 A HN 0.913 nan 8.150 nan 0.000 0.499 233 V N 1.090 120.989 119.914 -0.026 0.000 2.261 233 V HA -0.153 3.967 4.120 0.000 0.000 0.246 233 V C -0.115 175.964 176.094 -0.024 0.000 1.047 233 V CA 2.627 64.904 62.300 -0.039 0.000 1.015 233 V CB -1.271 30.509 31.823 -0.071 0.000 0.642 233 V HN 0.384 nan 8.190 nan 0.000 0.446 234 P HA -0.137 nan 4.420 nan 0.000 0.216 234 P C 1.614 178.915 177.300 0.001 0.000 1.150 234 P CA 1.944 65.041 63.100 -0.006 0.000 0.837 234 P CB -0.152 31.547 31.700 -0.001 0.000 0.786 235 A N -0.818 122.005 122.820 0.005 0.000 1.930 235 A HA -0.144 4.176 4.320 0.000 0.000 0.217 235 A C 2.202 179.797 177.584 0.018 0.000 1.175 235 A CA 1.293 53.337 52.037 0.012 0.000 0.627 235 A CB -1.516 17.494 19.000 0.016 0.000 0.815 235 A HN 0.117 nan 8.150 nan 0.000 0.443 236 I N -1.091 119.490 120.570 0.018 0.000 2.252 236 I HA -0.210 3.960 4.170 0.000 0.000 0.245 236 I C 2.675 178.798 176.117 0.010 0.000 1.102 236 I CA 1.473 62.789 61.300 0.026 0.000 1.385 236 I CB -0.279 37.733 38.000 0.020 0.000 1.064 236 I HN 0.368 nan 8.210 nan 0.000 0.414 237 R N 1.363 121.856 120.500 -0.011 0.000 2.091 237 R HA -0.189 4.151 4.340 0.000 0.000 0.238 237 R C 2.314 178.619 176.300 0.008 0.000 1.136 237 R CA 1.728 57.811 56.100 -0.028 0.000 0.959 237 R CB -0.242 30.034 30.300 -0.039 0.000 0.856 237 R HN 0.349 nan 8.270 nan 0.000 0.437 238 A N 0.832 123.662 122.820 0.017 0.000 1.969 238 A HA -0.112 4.208 4.320 0.000 0.000 0.218 238 A C 2.002 179.602 177.584 0.025 0.000 1.169 238 A CA 0.989 53.040 52.037 0.025 0.000 0.635 238 A CB -0.431 18.578 19.000 0.016 0.000 0.810 238 A HN 0.405 nan 8.150 nan 0.000 0.445 239 L N -0.329 120.911 121.223 0.028 0.000 2.027 239 L HA 0.006 4.347 4.340 0.000 0.000 0.206 239 L C 2.654 179.556 176.870 0.053 0.000 1.074 239 L CA 2.144 57.008 54.840 0.040 0.000 0.745 239 L CB -0.631 41.472 42.059 0.074 0.000 0.898 239 L HN 0.296 nan 8.230 nan 0.000 0.433 240 A N -0.880 121.970 122.820 0.050 0.000 1.933 240 A HA -0.216 4.104 4.320 0.000 0.000 0.218 240 A C 2.176 179.797 177.584 0.062 0.000 1.175 240 A CA 1.809 53.874 52.037 0.048 0.000 0.628 240 A CB -0.631 18.377 19.000 0.014 0.000 0.814 240 A HN 0.612 nan 8.150 nan 0.000 0.444 241 E N -0.862 119.381 120.200 0.070 0.000 2.051 241 E HA -0.203 4.147 4.350 0.000 0.000 0.192 241 E C 2.328 178.968 176.600 0.067 0.000 0.991 241 E CA 1.207 57.664 56.400 0.096 0.000 0.799 241 E CB -0.165 29.600 29.700 0.109 0.000 0.748 241 E HN 0.616 nan 8.360 nan 0.000 0.449 242 R N 0.675 121.205 120.500 0.049 0.000 2.081 242 R HA -0.102 4.238 4.340 0.000 0.000 0.235 242 R C 1.904 178.232 176.300 0.045 0.000 1.131 242 R CA 1.174 57.295 56.100 0.036 0.000 0.960 242 R CB -0.024 30.285 30.300 0.016 0.000 0.856 242 R HN 0.168 nan 8.270 nan 0.000 0.436 243 L N 0.236 121.492 121.223 0.055 0.000 2.640 243 L HA 0.124 4.464 4.340 0.000 0.000 0.230 243 L C 0.096 177.013 176.870 0.078 0.000 1.123 243 L CA -0.102 54.782 54.840 0.073 0.000 0.900 243 L CB 0.085 42.196 42.059 0.085 0.000 1.146 243 L HN 0.347 nan 8.230 nan 0.000 0.484 244 N N 1.156 119.898 118.700 0.070 0.000 2.780 244 N HA -0.199 4.541 4.740 0.000 0.000 0.247 244 N C -0.650 174.893 175.510 0.056 0.000 1.076 244 N CA 0.409 53.500 53.050 0.069 0.000 0.688 244 N CB -1.272 37.259 38.487 0.072 0.000 0.957 244 N HN 0.295 nan 8.380 nan 0.000 0.551 245 I N 0.398 120.993 120.570 0.041 0.000 2.336 245 I HA 0.381 4.551 4.170 0.000 0.000 0.292 245 I C -1.858 174.205 176.117 -0.091 0.000 0.991 245 I CA -2.111 59.193 61.300 0.006 0.000 1.227 245 I CB 1.424 39.454 38.000 0.051 0.000 1.366 245 I HN -0.013 nan 8.210 nan 0.000 0.466 246 P HA 0.059 nan 4.420 nan 0.000 0.267 246 P C -0.770 176.363 177.300 -0.278 0.000 1.200 246 P CA -0.085 62.679 63.100 -0.561 0.000 0.772 246 P CB 0.652 31.552 31.700 -1.333 0.000 0.855 247 V N 4.980 124.784 119.914 -0.183 0.000 2.409 247 V HA 0.403 4.523 4.120 0.000 0.000 0.291 247 V C 0.302 176.399 176.094 0.006 0.000 1.020 247 V CA -0.325 61.939 62.300 -0.060 0.000 0.848 247 V CB 1.155 32.948 31.823 -0.050 0.000 0.990 247 V HN 0.398 nan 8.190 nan 0.000 0.430 248 I N 4.175 124.769 120.570 0.040 0.000 2.603 248 I HA 0.670 4.840 4.170 0.000 0.000 0.300 248 I C 0.244 176.426 176.117 0.108 0.000 1.017 248 I CA -0.265 61.092 61.300 0.096 0.000 1.098 248 I CB 2.649 40.727 38.000 0.130 0.000 1.279 248 I HN 0.749 nan 8.210 nan 0.000 0.437 249 T N -0.052 114.574 114.554 0.120 0.000 2.916 249 T HA 0.577 4.927 4.350 0.000 0.000 0.292 249 T C 0.017 174.810 174.700 0.155 0.000 1.064 249 T CA -0.708 61.464 62.100 0.120 0.000 1.011 249 T CB 1.694 70.620 68.868 0.097 0.000 1.152 249 T HN 0.667 nan 8.240 nan 0.000 0.510 250 T N -0.082 114.552 114.554 0.133 0.000 2.732 250 T HA 0.230 4.580 4.350 0.000 0.000 0.287 250 T C 0.924 175.765 174.700 0.234 0.000 0.993 250 T CA -0.435 61.730 62.100 0.109 0.000 0.966 250 T CB -0.100 68.772 68.868 0.007 0.000 1.047 250 T HN 0.531 nan 8.240 nan 0.000 0.527 251 Y N 0.594 120.977 120.300 0.139 0.000 2.114 251 Y HA -0.027 4.523 4.550 0.000 0.000 0.282 251 Y C 2.371 178.444 175.900 0.288 0.000 1.165 251 Y CA 0.999 59.221 58.100 0.203 0.000 1.148 251 Y CB -1.234 37.342 38.460 0.194 0.000 0.972 251 Y HN 0.679 nan 8.280 nan 0.000 0.504 252 I N -3.248 117.548 120.570 0.377 0.000 3.883 252 I HA 0.425 4.595 4.170 0.000 0.000 0.326 252 I C 1.751 178.073 176.117 0.342 0.000 1.283 252 I CA 0.733 62.260 61.300 0.379 0.000 1.161 252 I CB -0.244 37.946 38.000 0.317 0.000 1.012 252 I HN -0.025 nan 8.210 nan 0.000 0.421 253 A N 1.095 124.050 122.820 0.225 0.000 2.251 253 A HA 0.189 4.509 4.320 0.000 0.000 0.209 253 A C 0.930 178.567 177.584 0.088 0.000 1.187 253 A CA -0.191 51.909 52.037 0.106 0.000 0.823 253 A CB -0.416 18.628 19.000 0.073 0.000 0.846 253 A HN 0.364 nan 8.150 nan 0.000 0.486 254 K N -0.192 120.301 120.400 0.156 0.000 2.491 254 K HA 0.267 4.587 4.320 0.000 0.000 0.279 254 K C 1.082 177.735 176.600 0.088 0.000 1.026 254 K CA 0.995 57.354 56.287 0.121 0.000 1.070 254 K CB 0.008 32.600 32.500 0.153 0.000 0.887 254 K HN 0.624 nan 8.250 nan 0.000 0.481 255 G N 1.012 109.838 108.800 0.043 0.000 2.163 255 G HA2 -0.267 3.693 3.960 0.000 0.000 0.213 255 G HA3 -0.267 3.693 3.960 0.000 0.000 0.213 255 G C 0.610 175.497 174.900 -0.022 0.000 0.991 255 G CA 0.087 45.200 45.100 0.022 0.000 0.653 255 G HN 0.538 nan 8.290 nan 0.000 0.518 256 V N -1.665 118.226 119.914 -0.040 0.000 2.809 256 V HA 0.448 4.568 4.120 0.000 0.000 0.256 256 V C 1.225 177.270 176.094 -0.081 0.000 1.080 256 V CA 1.230 63.490 62.300 -0.068 0.000 1.102 256 V CB -0.276 31.507 31.823 -0.066 0.000 0.705 256 V HN 0.420 nan 8.190 nan 0.000 0.475 257 L N 1.722 122.894 121.223 -0.086 0.000 2.334 257 L HA 0.569 4.909 4.340 0.000 0.000 0.273 257 L C -2.367 174.486 176.870 -0.028 0.000 1.013 257 L CA -2.167 52.591 54.840 -0.138 0.000 0.816 257 L CB 2.159 44.047 42.059 -0.286 0.000 1.278 257 L HN 0.007 nan 8.230 nan 0.000 0.431 258 P HA 0.070 nan 4.420 nan 0.000 0.274 258 P C -0.461 176.892 177.300 0.089 0.000 1.246 258 P CA -0.347 62.792 63.100 0.066 0.000 0.795 258 P CB 0.773 32.526 31.700 0.088 0.000 1.006 259 V N 1.017 120.971 119.914 0.067 0.000 2.617 259 V HA 0.230 4.350 4.120 0.000 0.000 0.304 259 V C 1.857 177.994 176.094 0.072 0.000 1.040 259 V CA 1.806 64.144 62.300 0.063 0.000 1.149 259 V CB -0.731 31.121 31.823 0.049 0.000 0.914 259 V HN 1.100 nan 8.190 nan 0.000 0.487 260 G N 2.539 111.381 108.800 0.071 0.000 2.195 260 G HA2 -0.241 3.719 3.960 0.000 0.000 0.246 260 G HA3 -0.241 3.719 3.960 0.000 0.000 0.246 260 G C 0.348 175.291 174.900 0.072 0.000 0.984 260 G CA 0.226 45.359 45.100 0.055 0.000 0.633 260 G HN 0.930 nan 8.290 nan 0.000 0.525 261 H N 2.177 121.261 119.070 0.023 0.000 2.928 261 H HA 0.166 4.722 4.556 0.000 0.000 0.338 261 H C 1.925 177.279 175.328 0.044 0.000 1.047 261 H CA 1.178 57.245 56.048 0.032 0.000 1.435 261 H CB 0.732 30.515 29.762 0.035 0.000 1.428 261 H HN 0.679 nan 8.280 nan 0.000 0.590 262 E N 4.146 124.360 120.200 0.025 0.000 2.153 262 E HA -0.127 4.223 4.350 0.000 0.000 0.194 262 E C 1.242 178.019 176.600 0.296 0.000 0.988 262 E CA 0.899 57.361 56.400 0.105 0.000 0.811 262 E CB 0.021 29.722 29.700 0.003 0.000 0.746 262 E HN 0.590 nan 8.360 nan 0.000 0.466 263 L N 1.056 122.580 121.223 0.501 0.000 2.592 263 L HA 0.102 4.442 4.340 0.000 0.000 0.227 263 L C 1.057 178.092 176.870 0.274 0.000 1.127 263 L CA -0.326 54.711 54.840 0.330 0.000 0.884 263 L CB -0.248 41.931 42.059 0.201 0.000 1.065 263 L HN 0.098 nan 8.230 nan 0.000 0.457 264 N N 0.215 119.087 118.700 0.287 0.000 2.466 264 N HA -0.080 4.661 4.740 0.000 0.000 0.263 264 N C 0.241 175.898 175.510 0.246 0.000 1.178 264 N CA 0.148 53.307 53.050 0.181 0.000 0.983 264 N CB 0.344 38.907 38.487 0.127 0.000 1.331 264 N HN 0.079 nan 8.380 nan 0.000 0.500 265 Y N 1.874 122.154 120.300 -0.032 0.000 2.490 265 Y HA 0.242 4.792 4.550 0.000 0.000 0.281 265 Y C 1.696 177.554 175.900 -0.070 0.000 1.174 265 Y CA 0.389 58.448 58.100 -0.068 0.000 1.295 265 Y CB -0.211 38.192 38.460 -0.095 0.000 1.062 265 Y HN 0.645 nan 8.280 nan 0.000 0.522 266 G N -0.166 108.682 108.800 0.080 0.000 2.592 266 G HA2 0.202 4.162 3.960 0.000 0.000 0.684 266 G HA3 0.202 4.162 3.960 0.000 0.000 0.684 266 G C -0.860 174.064 174.900 0.040 0.000 1.291 266 G CA -0.741 44.367 45.100 0.014 0.000 0.891 266 G HN 0.476 nan 8.290 nan 0.000 0.544 267 A N -1.090 121.740 122.820 0.017 0.000 2.306 267 A HA 0.869 5.189 4.320 0.000 0.000 0.330 267 A C 0.134 177.780 177.584 0.102 0.000 1.146 267 A CA -0.120 51.966 52.037 0.081 0.000 0.827 267 A CB 1.753 20.804 19.000 0.086 0.000 1.178 267 A HN 1.876 nan 8.150 nan 0.000 0.490 268 V N 0.982 121.017 119.914 0.203 0.000 2.427 268 V HA 0.651 4.771 4.120 0.000 0.000 0.286 268 V C 0.400 176.694 176.094 0.334 0.000 1.034 268 V CA -0.091 62.354 62.300 0.241 0.000 0.893 268 V CB 1.502 33.514 31.823 0.315 0.000 0.982 268 V HN 1.002 nan 8.190 nan 0.000 0.452 269 T N 2.616 117.339 114.554 0.281 0.000 2.886 269 T HA 0.496 4.846 4.350 0.000 0.000 0.292 269 T C 1.140 175.993 174.700 0.255 0.000 1.012 269 T CA 0.226 62.570 62.100 0.406 0.000 0.982 269 T CB 1.610 70.700 68.868 0.369 0.000 1.018 269 T HN 0.834 nan 8.240 nan 0.000 0.451 270 G N 1.845 110.776 108.800 0.219 0.000 2.527 270 G HA2 -0.112 3.848 3.960 0.000 0.000 0.219 270 G HA3 -0.112 3.848 3.960 0.000 0.000 0.219 270 G C 0.614 175.481 174.900 -0.056 0.000 1.117 270 G CA 0.669 45.781 45.100 0.021 0.000 0.759 270 G HN 0.812 nan 8.290 nan 0.000 0.556 271 Y N 0.291 120.608 120.300 0.027 0.000 2.466 271 Y HA 0.182 4.732 4.550 0.000 0.000 0.272 271 Y C 2.767 178.702 175.900 0.058 0.000 1.169 271 Y CA 0.411 58.587 58.100 0.127 0.000 1.285 271 Y CB -0.065 38.375 38.460 -0.033 0.000 1.078 271 Y HN 0.274 nan 8.280 nan 0.000 0.523 272 M N -1.348 118.305 119.600 0.089 0.000 2.175 272 M HA -0.107 4.373 4.480 0.000 0.000 0.264 272 M C 0.806 177.050 176.300 -0.094 0.000 1.063 272 M CA 1.899 57.167 55.300 -0.054 0.000 1.119 272 M CB -0.261 32.300 32.600 -0.064 0.000 1.377 272 M HN -0.064 nan 8.290 nan 0.000 0.415 273 D N 1.369 121.722 120.400 -0.079 0.000 2.117 273 D HA -0.024 4.616 4.640 0.000 0.000 0.198 273 D C 2.315 178.474 176.300 -0.235 0.000 0.982 273 D CA 1.843 55.779 54.000 -0.106 0.000 0.828 273 D CB -0.643 40.096 40.800 -0.102 0.000 0.967 273 D HN 0.592 nan 8.370 nan 0.000 0.464 274 G N 0.569 109.056 108.800 -0.521 0.000 2.418 274 G HA2 -0.194 3.767 3.960 0.000 0.000 0.217 274 G HA3 -0.194 3.767 3.960 0.000 0.000 0.217 274 G C 1.777 176.482 174.900 -0.325 0.000 1.158 274 G CA 0.345 44.803 45.100 -1.069 0.000 0.771 274 G HN 0.247 nan 8.290 nan 0.000 0.545 275 I N 0.321 120.873 120.570 -0.031 0.000 2.142 275 I HA -0.114 4.056 4.170 0.000 0.000 0.240 275 I C 2.475 178.541 176.117 -0.085 0.000 1.078 275 I CA 0.922 62.232 61.300 0.016 0.000 1.343 275 I CB -0.132 37.666 38.000 -0.337 0.000 1.046 275 I HN 0.093 nan 8.210 nan 0.000 0.405 276 L N 0.080 121.168 121.223 -0.226 0.000 2.492 276 L HA 0.015 4.355 4.340 0.000 0.000 0.223 276 L C 0.576 177.525 176.870 0.131 0.000 1.132 276 L CA 0.085 54.757 54.840 -0.280 0.000 0.850 276 L CB -0.602 41.260 42.059 -0.327 0.000 0.966 276 L HN 0.388 nan 8.230 nan 0.000 0.454 277 N N 0.413 119.180 118.700 0.111 0.000 2.696 277 N HA -0.296 4.444 4.740 0.000 0.000 0.256 277 N C -0.860 174.782 175.510 0.219 0.000 1.031 277 N CA 0.512 53.644 53.050 0.138 0.000 0.730 277 N CB -1.075 37.531 38.487 0.199 0.000 0.894 277 N HN 0.289 nan 8.380 nan 0.000 0.544 278 F N 0.126 120.055 119.950 -0.035 0.000 2.672 278 F HA 0.424 4.951 4.527 0.000 0.000 0.311 278 F C -2.259 173.514 175.800 -0.044 0.000 1.113 278 F CA -1.544 56.441 58.000 -0.024 0.000 0.996 278 F CB 1.594 40.582 39.000 -0.020 0.000 1.286 278 F HN -0.022 nan 8.300 nan 0.000 0.441 279 P HA 0.159 nan 4.420 nan 0.000 0.231 279 P C -0.001 177.275 177.300 -0.040 0.000 1.756 279 P CA 0.501 63.432 63.100 -0.282 0.000 0.990 279 P CB 0.256 31.732 31.700 -0.372 0.000 1.973 280 A N 2.070 125.011 122.820 0.201 0.000 1.873 280 A HA -0.125 4.196 4.320 0.000 0.000 0.215 280 A C 2.105 179.776 177.584 0.146 0.000 1.186 280 A CA 1.113 53.310 52.037 0.267 0.000 0.616 280 A CB -1.127 17.968 19.000 0.159 0.000 0.823 280 A HN 0.333 nan 8.150 nan 0.000 0.442 281 L N -1.103 120.200 121.223 0.135 0.000 2.093 281 L HA -0.206 4.134 4.340 0.000 0.000 0.208 281 L C 2.830 179.840 176.870 0.233 0.000 1.085 281 L CA 1.612 56.584 54.840 0.220 0.000 0.755 281 L CB -0.378 41.813 42.059 0.220 0.000 0.904 281 L HN 0.488 nan 8.230 nan 0.000 0.435 282 Q N -0.259 119.620 119.800 0.133 0.000 2.096 282 Q HA -0.188 4.153 4.340 0.000 0.000 0.204 282 Q C 2.054 178.118 176.000 0.106 0.000 0.982 282 Q CA 2.431 58.297 55.803 0.104 0.000 0.850 282 Q CB -0.206 28.546 28.738 0.023 0.000 0.901 282 Q HN 0.375 nan 8.270 nan 0.000 0.422 283 T N 0.040 114.652 114.554 0.095 0.000 2.777 283 T HA -0.127 4.223 4.350 0.000 0.000 0.266 283 T C 1.723 176.486 174.700 0.106 0.000 1.040 283 T CA 1.475 63.641 62.100 0.109 0.000 1.141 283 T CB -0.215 68.760 68.868 0.178 0.000 0.868 283 T HN 0.280 nan 8.240 nan 0.000 0.444 284 M N -0.417 119.204 119.600 0.034 0.000 2.117 284 M HA 0.007 4.487 4.480 0.000 0.000 0.262 284 M C 1.138 177.328 176.300 -0.183 0.000 1.065 284 M CA 1.811 57.029 55.300 -0.136 0.000 1.114 284 M CB -0.020 32.302 32.600 -0.463 0.000 1.361 284 M HN 0.230 nan 8.290 nan 0.000 0.408 285 F N -2.062 117.984 119.950 0.161 0.000 2.740 285 F HA 0.353 4.881 4.527 0.000 0.000 0.304 285 F C 2.096 177.911 175.800 0.025 0.000 1.098 285 F CA 0.250 58.301 58.000 0.086 0.000 1.258 285 F CB -0.803 38.279 39.000 0.136 0.000 1.061 285 F HN -0.002 nan 8.300 nan 0.000 0.598 286 A N 1.459 124.394 122.820 0.190 0.000 1.892 286 A HA -0.150 4.170 4.320 0.000 0.000 0.218 286 A C -0.515 177.113 177.584 0.074 0.000 1.188 286 A CA 2.015 54.124 52.037 0.121 0.000 0.631 286 A CB -1.977 17.077 19.000 0.090 0.000 0.822 286 A HN 0.205 nan 8.150 nan 0.000 0.447 287 P HA 0.211 nan 4.420 nan 0.000 0.262 287 P C -0.164 177.136 177.300 -0.001 0.000 1.304 287 P CA 0.101 63.218 63.100 0.029 0.000 0.859 287 P CB 0.041 31.766 31.700 0.041 0.000 1.310 288 V N 2.963 122.833 119.914 -0.074 0.000 2.614 288 V HA 0.056 4.176 4.120 0.000 0.000 0.291 288 V C 1.392 177.511 176.094 0.043 0.000 1.049 288 V CA 0.585 62.854 62.300 -0.053 0.000 1.038 288 V CB 0.979 32.790 31.823 -0.021 0.000 0.980 288 V HN 0.162 nan 8.190 nan 0.000 0.481 289 D N 2.846 123.276 120.400 0.050 0.000 2.474 289 D HA 0.169 4.809 4.640 0.000 0.000 0.213 289 D C -0.166 176.151 176.300 0.029 0.000 1.120 289 D CA -0.072 53.953 54.000 0.041 0.000 0.836 289 D CB 0.708 41.528 40.800 0.032 0.000 1.019 289 D HN 0.306 nan 8.370 nan 0.000 0.507 290 L N 1.073 122.308 121.223 0.021 0.000 2.528 290 L HA 0.432 4.772 4.340 0.000 0.000 0.267 290 L C -1.774 175.069 176.870 -0.044 0.000 0.961 290 L CA -0.853 53.988 54.840 0.001 0.000 0.866 290 L CB 2.212 44.294 42.059 0.039 0.000 1.248 290 L HN -0.179 nan 8.230 nan 0.000 0.404 291 V N 6.239 126.064 119.914 -0.148 0.000 2.347 291 V HA 0.445 4.565 4.120 0.000 0.000 0.280 291 V C -0.253 175.683 176.094 -0.265 0.000 1.021 291 V CA -0.415 61.712 62.300 -0.289 0.000 0.847 291 V CB 1.282 32.668 31.823 -0.729 0.000 0.990 291 V HN 0.558 nan 8.190 nan 0.000 0.444 292 L N 5.137 126.256 121.223 -0.175 0.000 2.262 292 L HA 0.435 4.775 4.340 0.000 0.000 0.288 292 L C 0.777 177.540 176.870 -0.179 0.000 1.035 292 L CA -0.054 54.688 54.840 -0.162 0.000 0.820 292 L CB 1.402 43.406 42.059 -0.091 0.000 1.204 292 L HN 0.764 nan 8.230 nan 0.000 0.424 293 T N 0.348 114.777 114.554 -0.207 0.000 2.875 293 T HA 0.452 4.802 4.350 0.000 0.000 0.307 293 T C -0.024 174.657 174.700 -0.032 0.000 1.013 293 T CA -0.693 61.340 62.100 -0.111 0.000 0.970 293 T CB 0.259 69.036 68.868 -0.152 0.000 0.986 293 T HN 0.146 nan 8.240 nan 0.000 0.536 294 V N 3.615 123.514 119.914 -0.025 0.000 2.353 294 V HA 0.602 4.722 4.120 0.000 0.000 0.264 294 V C 1.366 177.465 176.094 0.008 0.000 1.049 294 V CA 0.099 62.370 62.300 -0.049 0.000 0.896 294 V CB -0.039 31.775 31.823 -0.014 0.000 1.025 294 V HN 1.289 nan 8.190 nan 0.000 0.475 295 G N 3.968 112.767 108.800 -0.002 0.000 2.248 295 G HA2 -0.303 3.657 3.960 0.000 0.000 0.263 295 G HA3 -0.303 3.657 3.960 0.000 0.000 0.263 295 G C -0.241 174.706 174.900 0.078 0.000 1.082 295 G CA -0.139 44.975 45.100 0.025 0.000 0.863 295 G HN 0.864 nan 8.290 nan 0.000 0.495 296 Y N 0.950 121.258 120.300 0.013 0.000 2.511 296 Y HA 0.460 5.010 4.550 0.000 0.000 0.332 296 Y C 0.206 176.160 175.900 0.090 0.000 1.177 296 Y CA 0.316 58.462 58.100 0.075 0.000 1.422 296 Y CB 1.126 39.682 38.460 0.160 0.000 1.271 296 Y HN 0.250 nan 8.280 nan 0.000 0.550 297 D N 4.668 124.663 120.400 -0.674 0.000 2.616 297 D HA 0.033 4.673 4.640 0.000 0.000 0.238 297 D C -0.130 175.802 176.300 -0.614 0.000 1.354 297 D CA -0.514 53.218 54.000 -0.446 0.000 0.970 297 D CB 0.313 40.997 40.800 -0.193 0.000 1.369 297 D HN 0.546 nan 8.370 nan 0.000 0.585 298 Y N 3.671 123.650 120.300 -0.535 0.000 2.298 298 Y HA -0.132 4.418 4.550 0.000 0.000 0.287 298 Y C 1.933 177.716 175.900 -0.196 0.000 1.164 298 Y CA 2.097 60.034 58.100 -0.272 0.000 1.229 298 Y CB -0.193 38.269 38.460 0.002 0.000 0.977 298 Y HN 0.538 nan 8.280 nan 0.000 0.538 299 A N -0.127 122.603 122.820 -0.150 0.000 2.070 299 A HA -0.183 4.137 4.320 0.000 0.000 0.220 299 A C 1.992 179.435 177.584 -0.235 0.000 1.159 299 A CA 1.628 53.551 52.037 -0.189 0.000 0.656 299 A CB -0.598 18.341 19.000 -0.101 0.000 0.800 299 A HN 0.611 nan 8.150 nan 0.000 0.453 300 E N -1.199 118.844 120.200 -0.261 0.000 2.511 300 E HA -0.060 4.290 4.350 0.000 0.000 0.196 300 E C 0.084 176.444 176.600 -0.401 0.000 1.066 300 E CA 0.368 56.588 56.400 -0.300 0.000 0.871 300 E CB -0.023 29.524 29.700 -0.255 0.000 0.863 300 E HN 0.509 nan 8.360 nan 0.000 0.520 301 D N -0.073 120.120 120.400 -0.345 0.000 3.041 301 D HA -0.201 4.439 4.640 0.000 0.000 0.220 301 D C -0.779 175.408 176.300 -0.187 0.000 1.157 301 D CA 0.417 54.240 54.000 -0.295 0.000 0.876 301 D CB -1.188 39.485 40.800 -0.211 0.000 1.107 301 D HN 0.202 nan 8.370 nan 0.000 0.422 302 L N 1.175 122.325 121.223 -0.123 0.000 2.270 302 L HA 0.384 4.724 4.340 0.000 0.000 0.286 302 L C 0.465 177.425 176.870 0.150 0.000 1.059 302 L CA -0.507 54.366 54.840 0.055 0.000 0.839 302 L CB 0.225 42.373 42.059 0.148 0.000 1.221 302 L HN -0.061 nan 8.230 nan 0.000 0.431 303 R N 4.718 125.219 120.500 0.002 0.000 2.536 303 R HA 0.338 4.678 4.340 0.000 0.000 0.279 303 R C -1.720 174.214 176.300 -0.611 0.000 1.001 303 R CA -1.734 54.324 56.100 -0.070 0.000 1.027 303 R CB 0.775 31.052 30.300 -0.039 0.000 1.096 303 R HN 0.345 nan 8.270 nan 0.000 0.502 304 P HA -0.257 nan 4.420 nan 0.000 0.216 304 P C 1.227 177.701 177.300 -1.377 0.000 1.150 304 P CA 1.641 63.514 63.100 -2.046 0.000 0.843 304 P CB 0.121 31.121 31.700 -1.168 0.000 0.787 305 S N -1.456 113.834 115.700 -0.684 0.000 2.420 305 S HA -0.218 4.252 4.470 0.000 0.000 0.237 305 S C 1.883 176.252 174.600 -0.386 0.000 1.023 305 S CA 1.493 59.436 58.200 -0.428 0.000 0.991 305 S CB -1.403 61.651 63.200 -0.242 0.000 0.792 305 S HN 0.097 nan 8.310 nan 0.000 0.488 306 M N 0.072 119.428 119.600 -0.406 0.000 2.254 306 M HA 0.092 4.572 4.480 0.000 0.000 0.265 306 M C 1.960 178.099 176.300 -0.268 0.000 1.066 306 M CA 1.458 56.626 55.300 -0.220 0.000 1.123 306 M CB -0.380 32.168 32.600 -0.087 0.000 1.388 306 M HN 0.794 nan 8.290 nan 0.000 0.425 307 W N -0.044 120.937 121.300 -0.532 0.000 3.197 307 W HA 0.207 4.867 4.660 0.000 0.000 0.274 307 W C 0.120 176.353 176.519 -0.478 0.000 1.297 307 W CA -0.281 56.441 57.345 -1.038 0.000 1.662 307 W CB -0.780 27.908 29.460 -1.286 0.000 1.106 307 W HN 0.011 nan 8.180 nan 0.000 0.663 308 Q N 2.541 122.186 119.800 -0.258 0.000 3.026 308 Q HA 0.124 4.464 4.340 0.000 0.000 0.258 308 Q C -0.338 175.648 176.000 -0.024 0.000 1.388 308 Q CA 0.414 56.161 55.803 -0.094 0.000 1.000 308 Q CB -0.042 28.576 28.738 -0.200 0.000 1.634 308 Q HN -0.089 nan 8.270 nan 0.000 0.571 309 K N 0.182 120.618 120.400 0.060 0.000 2.318 309 K HA 0.606 4.926 4.320 0.000 0.000 0.249 309 K C 0.464 177.120 176.600 0.094 0.000 0.942 309 K CA -0.051 56.286 56.287 0.084 0.000 0.808 309 K CB 1.976 34.567 32.500 0.152 0.000 1.189 309 K HN 0.467 nan 8.250 nan 0.000 0.428 310 G N 2.339 111.178 108.800 0.065 0.000 2.561 310 G HA2 -0.326 3.634 3.960 0.000 0.000 0.289 310 G HA3 -0.326 3.634 3.960 0.000 0.000 0.289 310 G C 0.255 175.187 174.900 0.053 0.000 1.169 310 G CA 0.233 45.369 45.100 0.059 0.000 0.980 310 G HN 0.773 nan 8.290 nan 0.000 0.550 311 I N 0.024 120.629 120.570 0.059 0.000 3.004 311 I HA 0.600 4.770 4.170 0.000 0.000 0.287 311 I C 0.514 176.665 176.117 0.056 0.000 1.144 311 I CA -0.440 60.891 61.300 0.051 0.000 1.353 311 I CB 0.419 38.449 38.000 0.050 0.000 1.417 311 I HN 0.589 nan 8.210 nan 0.000 0.602 312 E N 2.975 123.202 120.200 0.045 0.000 2.392 312 E HA 0.195 4.545 4.350 0.000 0.000 0.264 312 E C -0.885 175.748 176.600 0.056 0.000 1.024 312 E CA -0.108 56.321 56.400 0.049 0.000 0.903 312 E CB 0.813 30.535 29.700 0.036 0.000 0.963 312 E HN 0.459 nan 8.360 nan 0.000 0.432 313 K N 2.099 122.541 120.400 0.071 0.000 2.267 313 K HA 0.344 4.664 4.320 0.000 0.000 0.246 313 K C -0.510 176.124 176.600 0.056 0.000 0.954 313 K CA -0.875 55.449 56.287 0.063 0.000 0.824 313 K CB 1.555 34.100 32.500 0.074 0.000 1.167 313 K HN 0.132 nan 8.250 nan 0.000 0.431 314 K N 1.311 121.731 120.400 0.034 0.000 2.098 314 K HA 0.325 4.645 4.320 0.000 0.000 0.261 314 K C -0.287 176.314 176.600 0.001 0.000 0.987 314 K CA -0.383 55.921 56.287 0.028 0.000 0.916 314 K CB 1.602 34.117 32.500 0.026 0.000 1.039 314 K HN 0.835 nan 8.250 nan 0.000 0.455 315 T N -2.259 112.300 114.554 0.009 0.000 2.876 315 T HA 0.533 4.883 4.350 0.000 0.000 0.289 315 T C -0.490 174.181 174.700 -0.047 0.000 1.014 315 T CA -0.853 61.231 62.100 -0.028 0.000 0.986 315 T CB 1.386 70.319 68.868 0.107 0.000 1.021 315 T HN 0.130 nan 8.240 nan 0.000 0.458 316 V N 2.729 122.586 119.914 -0.096 0.000 2.443 316 V HA 0.567 4.687 4.120 0.000 0.000 0.293 316 V C 0.126 176.119 176.094 -0.169 0.000 1.021 316 V CA -0.962 61.260 62.300 -0.130 0.000 0.848 316 V CB 1.507 33.252 31.823 -0.130 0.000 0.998 316 V HN 0.982 nan 8.190 nan 0.000 0.424 317 R N 4.346 124.733 120.500 -0.189 0.000 2.265 317 R HA 0.715 5.055 4.340 0.000 0.000 0.319 317 R C -1.475 174.682 176.300 -0.238 0.000 1.006 317 R CA -0.518 55.487 56.100 -0.159 0.000 0.880 317 R CB 0.956 31.121 30.300 -0.226 0.000 1.077 317 R HN 0.656 nan 8.270 nan 0.000 0.454 318 I N 2.600 123.016 120.570 -0.255 0.000 2.418 318 I HA 0.324 4.494 4.170 0.000 0.000 0.287 318 I C -0.505 175.506 176.117 -0.177 0.000 1.008 318 I CA -0.081 60.999 61.300 -0.366 0.000 1.104 318 I CB 2.062 39.621 38.000 -0.735 0.000 1.264 318 I HN 0.513 nan 8.210 nan 0.000 0.438 319 S N 6.558 122.170 115.700 -0.147 0.000 2.535 319 S HA 0.552 5.022 4.470 0.000 0.000 0.272 319 S C -2.688 171.855 174.600 -0.094 0.000 1.149 319 S CA -0.973 57.184 58.200 -0.072 0.000 0.888 319 S CB 2.006 65.210 63.200 0.007 0.000 1.110 319 S HN 0.358 nan 8.310 nan 0.000 0.463 320 P HA 0.210 nan 4.420 nan 0.000 0.249 320 P C -0.216 177.052 177.300 -0.053 0.000 1.593 320 P CA 0.113 63.162 63.100 -0.086 0.000 0.896 320 P CB -0.881 30.776 31.700 -0.072 0.000 1.581 321 T N -4.339 110.191 114.554 -0.040 0.000 2.889 321 T HA 0.359 4.709 4.350 0.000 0.000 0.315 321 T C -0.443 174.246 174.700 -0.018 0.000 1.291 321 T CA -0.737 61.351 62.100 -0.019 0.000 1.028 321 T CB 1.126 69.995 68.868 0.001 0.000 1.235 321 T HN -0.236 nan 8.240 nan 0.000 0.491 322 V N 2.852 122.759 119.914 -0.013 0.000 2.740 322 V HA 0.205 4.325 4.120 0.000 0.000 0.303 322 V C 1.066 177.156 176.094 -0.007 0.000 1.054 322 V CA -0.511 61.780 62.300 -0.015 0.000 1.106 322 V CB 0.405 32.221 31.823 -0.011 0.000 0.957 322 V HN 1.008 nan 8.190 nan 0.000 0.486 323 N N 7.056 125.744 118.700 -0.021 0.000 2.386 323 N HA 0.019 4.759 4.740 0.000 0.000 0.273 323 N C -1.043 174.465 175.510 -0.004 0.000 1.331 323 N CA -1.169 51.873 53.050 -0.013 0.000 0.891 323 N CB 0.857 39.300 38.487 -0.073 0.000 1.139 323 N HN 0.430 nan 8.380 nan 0.000 0.487 324 P HA 0.060 nan 4.420 nan 0.000 0.245 324 P C 0.269 177.569 177.300 -0.000 0.000 1.206 324 P CA 0.649 63.760 63.100 0.017 0.000 0.781 324 P CB -0.022 31.702 31.700 0.040 0.000 0.994 325 I N -3.855 116.704 120.570 -0.017 0.000 2.944 325 I HA 0.407 4.578 4.170 0.000 0.000 0.334 325 I C -1.884 174.184 176.117 -0.081 0.000 1.420 325 I CA -2.432 58.821 61.300 -0.078 0.000 0.856 325 I CB 1.087 38.957 38.000 -0.218 0.000 2.091 325 I HN -0.332 nan 8.210 nan 0.000 0.571 326 P HA -0.203 nan 4.420 nan 0.000 0.221 326 P C 1.517 178.782 177.300 -0.059 0.000 1.145 326 P CA 1.202 64.261 63.100 -0.067 0.000 0.795 326 P CB 0.095 31.760 31.700 -0.059 0.000 0.775 327 R N 0.094 120.558 120.500 -0.060 0.000 2.127 327 R HA -0.073 4.268 4.340 0.000 0.000 0.238 327 R C 1.696 177.954 176.300 -0.070 0.000 1.134 327 R CA 1.334 57.400 56.100 -0.056 0.000 0.975 327 R CB -0.197 30.074 30.300 -0.049 0.000 0.865 327 R HN 0.076 nan 8.270 nan 0.000 0.447 328 V N -1.220 118.630 119.914 -0.107 0.000 3.048 328 V HA 0.045 4.165 4.120 0.000 0.000 0.241 328 V C -0.224 175.839 176.094 -0.051 0.000 1.129 328 V CA 0.362 62.577 62.300 -0.141 0.000 1.128 328 V CB 0.216 31.833 31.823 -0.343 0.000 0.849 328 V HN 0.187 nan 8.190 nan 0.000 0.475 329 Y N 2.121 122.304 120.300 -0.194 0.000 2.349 329 Y HA 0.549 5.099 4.550 0.000 0.000 0.324 329 Y C -0.147 175.698 175.900 -0.092 0.000 1.005 329 Y CA -1.889 56.126 58.100 -0.142 0.000 1.240 329 Y CB 0.842 39.208 38.460 -0.157 0.000 1.117 329 Y HN 0.024 nan 8.280 nan 0.000 0.463 330 R N 7.523 128.008 120.500 -0.024 0.000 2.423 330 R HA 0.312 4.652 4.340 0.000 0.000 0.293 330 R C -2.585 173.590 176.300 -0.208 0.000 1.196 330 R CA -1.651 54.355 56.100 -0.158 0.000 1.262 330 R CB 0.730 30.991 30.300 -0.065 0.000 1.116 330 R HN 0.486 nan 8.270 nan 0.000 0.566 331 P HA 0.010 nan 4.420 nan 0.000 0.269 331 P C 0.020 177.229 177.300 -0.151 0.000 1.209 331 P CA -0.157 62.735 63.100 -0.347 0.000 0.776 331 P CB 1.165 32.547 31.700 -0.530 0.000 0.876 332 D N 0.114 120.474 120.400 -0.067 0.000 2.144 332 D HA -0.031 4.609 4.640 0.000 0.000 0.200 332 D C 0.398 176.670 176.300 -0.046 0.000 0.978 332 D CA 1.432 55.410 54.000 -0.037 0.000 0.833 332 D CB 0.288 41.085 40.800 -0.004 0.000 0.961 332 D HN 0.122 nan 8.370 nan 0.000 0.470 333 V N 1.020 120.896 119.914 -0.063 0.000 2.638 333 V HA 0.212 4.332 4.120 0.000 0.000 0.306 333 V C -0.814 175.214 176.094 -0.111 0.000 1.052 333 V CA -0.896 61.370 62.300 -0.056 0.000 0.885 333 V CB 2.499 34.316 31.823 -0.010 0.000 0.999 333 V HN -0.131 nan 8.190 nan 0.000 0.424 334 D N 3.268 123.606 120.400 -0.103 0.000 2.471 334 D HA 0.475 5.115 4.640 0.000 0.000 0.245 334 D C -0.903 175.346 176.300 -0.085 0.000 1.116 334 D CA -0.168 53.752 54.000 -0.133 0.000 0.853 334 D CB 2.017 42.731 40.800 -0.142 0.000 1.123 334 D HN 0.262 nan 8.370 nan 0.000 0.540 335 V N 4.449 124.286 119.914 -0.128 0.000 2.294 335 V HA 0.262 4.382 4.120 0.000 0.000 0.272 335 V C 0.263 176.286 176.094 -0.118 0.000 1.027 335 V CA -0.841 61.410 62.300 -0.082 0.000 0.823 335 V CB 1.346 33.068 31.823 -0.168 0.000 1.030 335 V HN 0.346 nan 8.190 nan 0.000 0.457 336 V N 4.938 124.821 119.914 -0.052 0.000 2.320 336 V HA 0.641 4.761 4.120 0.000 0.000 0.265 336 V C 0.319 176.299 176.094 -0.189 0.000 1.048 336 V CA 0.456 62.699 62.300 -0.094 0.000 0.865 336 V CB 0.874 32.670 31.823 -0.045 0.000 1.043 336 V HN 1.000 nan 8.190 nan 0.000 0.474 337 T N 2.717 117.088 114.554 -0.305 0.000 2.722 337 T HA 0.187 4.537 4.350 0.000 0.000 0.314 337 T C -1.495 172.981 174.700 -0.373 0.000 1.675 337 T CA -0.721 61.054 62.100 -0.542 0.000 1.003 337 T CB 1.617 69.734 68.868 -1.252 0.000 1.602 337 T HN 0.710 nan 8.240 nan 0.000 0.496 338 D N 1.075 121.255 120.400 -0.367 0.000 2.493 338 D HA 0.171 4.811 4.640 0.000 0.000 0.240 338 D C 1.566 177.768 176.300 -0.163 0.000 1.142 338 D CA 0.312 54.187 54.000 -0.210 0.000 0.872 338 D CB 0.825 41.528 40.800 -0.163 0.000 1.173 338 D HN 0.259 nan 8.370 nan 0.000 0.467 339 V N 4.118 123.987 119.914 -0.075 0.000 2.287 339 V HA -0.234 3.886 4.120 0.000 0.000 0.248 339 V C 2.216 178.351 176.094 0.069 0.000 1.053 339 V CA 1.448 63.751 62.300 0.005 0.000 1.027 339 V CB -0.704 31.123 31.823 0.007 0.000 0.646 339 V HN 0.613 nan 8.190 nan 0.000 0.447 340 L N 0.856 122.094 121.223 0.025 0.000 2.046 340 L HA -0.096 4.244 4.340 0.000 0.000 0.208 340 L C 2.467 179.363 176.870 0.045 0.000 1.077 340 L CA 2.343 57.204 54.840 0.036 0.000 0.747 340 L CB -1.084 40.988 42.059 0.021 0.000 0.896 340 L HN 0.235 nan 8.230 nan 0.000 0.432 341 A N -0.843 121.981 122.820 0.006 0.000 1.908 341 A HA -0.293 4.027 4.320 0.000 0.000 0.218 341 A C 2.288 179.946 177.584 0.123 0.000 1.181 341 A CA 1.954 54.009 52.037 0.029 0.000 0.627 341 A CB -1.240 17.684 19.000 -0.127 0.000 0.818 341 A HN 0.575 nan 8.150 nan 0.000 0.445 342 F N 0.918 120.801 119.950 -0.112 0.000 2.095 342 F HA -0.171 4.356 4.527 0.000 0.000 0.298 342 F C 2.164 178.086 175.800 0.203 0.000 1.104 342 F CA 2.105 60.150 58.000 0.075 0.000 1.232 342 F CB -0.508 38.443 39.000 -0.082 0.000 0.987 342 F HN 0.021 nan 8.300 nan 0.000 0.475 343 V N 0.798 120.643 119.914 -0.116 0.000 2.343 343 V HA -0.291 3.829 4.120 0.000 0.000 0.247 343 V C 2.282 178.327 176.094 -0.083 0.000 1.051 343 V CA 2.348 64.541 62.300 -0.178 0.000 1.036 343 V CB -0.802 31.032 31.823 0.018 0.000 0.654 343 V HN 0.386 nan 8.190 nan 0.000 0.451 344 E N -0.649 119.557 120.200 0.010 0.000 2.150 344 E HA -0.256 4.094 4.350 0.000 0.000 0.193 344 E C 2.119 178.748 176.600 0.049 0.000 0.985 344 E CA 1.477 57.898 56.400 0.035 0.000 0.814 344 E CB -0.201 29.540 29.700 0.068 0.000 0.752 344 E HN 0.795 nan 8.360 nan 0.000 0.466 345 H N -0.451 118.644 119.070 0.041 0.000 2.363 345 H HA -0.099 4.457 4.556 0.000 0.000 0.301 345 H C 1.732 177.036 175.328 -0.040 0.000 1.074 345 H CA 1.225 57.302 56.048 0.048 0.000 1.354 345 H CB -0.052 29.833 29.762 0.205 0.000 1.397 345 H HN 0.078 nan 8.280 nan 0.000 0.516 346 F N 1.439 121.229 119.950 -0.268 0.000 2.234 346 F HA -0.096 4.431 4.527 0.000 0.000 0.299 346 F C 2.188 177.785 175.800 -0.339 0.000 1.087 346 F CA 1.180 58.944 58.000 -0.395 0.000 1.340 346 F CB -0.044 38.479 39.000 -0.795 0.000 1.031 346 F HN 0.220 nan 8.300 nan 0.000 0.500 347 E N -0.470 119.616 120.200 -0.191 0.000 2.110 347 E HA -0.171 4.179 4.350 0.000 0.000 0.193 347 E C 2.165 178.591 176.600 -0.290 0.000 0.988 347 E CA 1.870 58.135 56.400 -0.224 0.000 0.804 347 E CB -0.572 29.057 29.700 -0.118 0.000 0.745 347 E HN 0.364 nan 8.360 nan 0.000 0.458 348 T N 0.932 115.311 114.554 -0.290 0.000 2.777 348 T HA -0.049 4.301 4.350 0.000 0.000 0.266 348 T C 1.942 176.416 174.700 -0.377 0.000 1.040 348 T CA 1.255 63.173 62.100 -0.303 0.000 1.141 348 T CB -0.112 68.579 68.868 -0.295 0.000 0.868 348 T HN 0.233 nan 8.240 nan 0.000 0.444 349 A N 1.642 124.171 122.820 -0.486 0.000 2.014 349 A HA -0.014 4.306 4.320 0.000 0.000 0.218 349 A C 2.330 179.480 177.584 -0.724 0.000 1.163 349 A CA 1.658 53.408 52.037 -0.479 0.000 0.652 349 A CB -0.651 18.121 19.000 -0.379 0.000 0.808 349 A HN 0.580 nan 8.150 nan 0.000 0.449 350 T N -4.333 109.640 114.554 -0.968 0.000 3.129 350 T HA 0.544 4.894 4.350 0.000 0.000 0.267 350 T C 1.467 175.708 174.700 -0.765 0.000 1.018 350 T CA 0.762 61.952 62.100 -1.516 0.000 0.903 350 T CB 0.277 68.220 68.868 -1.542 0.000 1.067 350 T HN 0.413 nan 8.240 nan 0.000 0.549 351 A N 2.537 125.098 122.820 -0.432 0.000 1.917 351 A HA -0.082 4.238 4.320 0.000 0.000 0.219 351 A C 2.478 180.012 177.584 -0.083 0.000 1.182 351 A CA 2.042 53.953 52.037 -0.210 0.000 0.633 351 A CB -0.956 17.948 19.000 -0.160 0.000 0.819 351 A HN 0.825 nan 8.150 nan 0.000 0.448 352 S N -1.797 113.904 115.700 0.002 0.000 2.577 352 S HA 0.372 4.842 4.470 0.000 0.000 0.219 352 S C -0.034 174.707 174.600 0.235 0.000 0.962 352 S CA -0.687 57.573 58.200 0.100 0.000 0.921 352 S CB -0.382 62.866 63.200 0.081 0.000 0.789 352 S HN 0.100 nan 8.310 nan 0.000 0.497 353 F N 2.910 122.814 119.950 -0.076 0.000 2.459 353 F HA 0.593 5.120 4.527 0.000 0.000 0.346 353 F C 1.403 177.177 175.800 -0.044 0.000 1.128 353 F CA -1.108 56.853 58.000 -0.065 0.000 1.268 353 F CB 0.090 39.038 39.000 -0.086 0.000 1.161 353 F HN 0.210 nan 8.300 nan 0.000 0.583 354 G N 1.137 109.994 108.800 0.094 0.000 2.420 354 G HA2 0.500 4.460 3.960 0.000 0.000 0.284 354 G HA3 0.500 4.460 3.960 0.000 0.000 0.284 354 G C -0.515 174.425 174.900 0.067 0.000 1.177 354 G CA -0.464 44.666 45.100 0.051 0.000 0.841 354 G HN 0.910 nan 8.290 nan 0.000 0.527 355 A N 2.080 124.935 122.820 0.059 0.000 2.520 355 A HA 0.411 4.731 4.320 0.000 0.000 0.235 355 A C 0.742 178.360 177.584 0.058 0.000 1.065 355 A CA 0.083 52.158 52.037 0.064 0.000 0.764 355 A CB 0.315 19.347 19.000 0.054 0.000 1.002 355 A HN 0.545 nan 8.150 nan 0.000 0.502 356 K N 1.128 121.572 120.400 0.073 0.000 2.090 356 K HA 0.275 4.595 4.320 0.000 0.000 0.250 356 K C -0.137 176.519 176.600 0.094 0.000 1.004 356 K CA -0.187 56.145 56.287 0.076 0.000 0.919 356 K CB 0.637 33.197 32.500 0.101 0.000 1.045 356 K HN 0.789 nan 8.250 nan 0.000 0.471 357 Q N 1.799 121.666 119.800 0.112 0.000 2.274 357 Q HA 0.171 4.511 4.340 0.000 0.000 0.256 357 Q C -0.102 176.089 176.000 0.319 0.000 0.927 357 Q CA -0.452 55.456 55.803 0.174 0.000 0.939 357 Q CB 1.353 30.187 28.738 0.161 0.000 1.201 357 Q HN 0.389 nan 8.270 nan 0.000 0.426 358 R N 2.173 122.813 120.500 0.233 0.000 2.457 358 R HA 0.295 4.635 4.340 0.000 0.000 0.284 358 R C -0.119 176.224 176.300 0.072 0.000 1.024 358 R CA -0.804 55.419 56.100 0.204 0.000 1.025 358 R CB 0.667 31.029 30.300 0.105 0.000 1.063 358 R HN 0.635 nan 8.270 nan 0.000 0.493 359 H N 0.214 119.120 119.070 -0.274 0.000 2.679 359 H HA 0.125 4.681 4.556 0.000 0.000 0.369 359 H C -1.116 174.190 175.328 -0.037 0.000 1.178 359 H CA -0.575 55.243 56.048 -0.383 0.000 1.419 359 H CB 0.685 30.123 29.762 -0.540 0.000 1.458 359 H HN 0.791 nan 8.280 nan 0.000 0.605 360 D N 1.653 122.007 120.400 -0.076 0.000 2.277 360 D HA 0.237 4.877 4.640 0.000 0.000 0.249 360 D C 0.870 177.086 176.300 -0.139 0.000 1.134 360 D CA -0.556 53.383 54.000 -0.101 0.000 0.863 360 D CB 0.256 41.039 40.800 -0.029 0.000 1.143 360 D HN 0.644 nan 8.370 nan 0.000 0.458 361 I N 0.289 120.707 120.570 -0.253 0.000 3.817 361 I HA 0.352 4.522 4.170 0.000 0.000 0.325 361 I C 0.877 176.878 176.117 -0.194 0.000 1.550 361 I CA -0.569 60.587 61.300 -0.240 0.000 1.100 361 I CB 0.665 38.408 38.000 -0.428 0.000 1.216 361 I HN 0.152 nan 8.210 nan 0.000 0.481 362 E N 2.473 122.589 120.200 -0.140 0.000 2.097 362 E HA -0.125 4.225 4.350 0.000 0.000 0.196 362 E C -0.421 176.134 176.600 -0.076 0.000 1.000 362 E CA 1.668 58.004 56.400 -0.108 0.000 0.804 362 E CB -1.653 28.006 29.700 -0.070 0.000 0.740 362 E HN 0.461 nan 8.360 nan 0.000 0.454 363 P HA -0.144 nan 4.420 nan 0.000 0.217 363 P C 1.665 178.891 177.300 -0.125 0.000 1.148 363 P CA 0.813 63.940 63.100 0.046 0.000 0.828 363 P CB -0.031 31.810 31.700 0.235 0.000 0.783 364 L N -0.425 120.726 121.223 -0.121 0.000 2.072 364 L HA -0.027 4.313 4.340 0.000 0.000 0.205 364 L C 2.299 178.992 176.870 -0.295 0.000 1.079 364 L CA 1.731 56.395 54.840 -0.294 0.000 0.752 364 L CB -0.895 41.099 42.059 -0.108 0.000 0.906 364 L HN -0.237 nan 8.230 nan 0.000 0.436 365 R N -0.488 119.887 120.500 -0.209 0.000 2.096 365 R HA -0.100 4.240 4.340 0.000 0.000 0.235 365 R C 2.227 178.451 176.300 -0.127 0.000 1.127 365 R CA 1.223 57.224 56.100 -0.165 0.000 0.968 365 R CB -0.574 29.630 30.300 -0.159 0.000 0.861 365 R HN 0.538 nan 8.270 nan 0.000 0.440 366 A N 1.031 123.772 122.820 -0.131 0.000 1.873 366 A HA -0.184 4.136 4.320 0.000 0.000 0.215 366 A C 2.109 179.633 177.584 -0.100 0.000 1.186 366 A CA 1.352 53.334 52.037 -0.092 0.000 0.616 366 A CB -0.352 18.607 19.000 -0.069 0.000 0.823 366 A HN 0.092 nan 8.150 nan 0.000 0.442 367 R N 0.260 120.627 120.500 -0.222 0.000 2.083 367 R HA -0.070 4.270 4.340 0.000 0.000 0.237 367 R C 1.771 178.070 176.300 -0.003 0.000 1.137 367 R CA 1.946 57.919 56.100 -0.211 0.000 0.951 367 R CB -0.880 29.007 30.300 -0.688 0.000 0.851 367 R HN 0.565 nan 8.270 nan 0.000 0.434 368 I N 0.147 120.679 120.570 -0.063 0.000 2.127 368 I HA -0.282 3.889 4.170 0.000 0.000 0.241 368 I C 2.329 178.546 176.117 0.167 0.000 1.075 368 I CA 1.591 62.968 61.300 0.128 0.000 1.334 368 I CB -0.476 37.547 38.000 0.038 0.000 1.040 368 I HN 0.303 nan 8.210 nan 0.000 0.405 369 A N -0.035 122.823 122.820 0.062 0.000 1.940 369 A HA -0.291 4.029 4.320 0.000 0.000 0.219 369 A C 2.333 179.939 177.584 0.037 0.000 1.176 369 A CA 2.058 54.120 52.037 0.042 0.000 0.631 369 A CB -0.710 18.294 19.000 0.008 0.000 0.814 369 A HN 0.539 nan 8.150 nan 0.000 0.446 370 E N -1.371 118.856 120.200 0.044 0.000 2.077 370 E HA -0.187 4.163 4.350 0.000 0.000 0.193 370 E C 1.662 178.253 176.600 -0.015 0.000 0.989 370 E CA 1.130 57.541 56.400 0.018 0.000 0.800 370 E CB -0.208 29.504 29.700 0.020 0.000 0.746 370 E HN 0.597 nan 8.360 nan 0.000 0.452 371 F N 0.831 120.675 119.950 -0.177 0.000 2.134 371 F HA -0.134 4.393 4.527 0.000 0.000 0.299 371 F C 2.228 177.838 175.800 -0.318 0.000 1.097 371 F CA 1.049 58.821 58.000 -0.380 0.000 1.264 371 F CB -0.212 38.469 39.000 -0.530 0.000 1.001 371 F HN 0.038 nan 8.300 nan 0.000 0.479 372 L N -0.943 120.228 121.223 -0.087 0.000 2.083 372 L HA -0.168 4.172 4.340 0.000 0.000 0.209 372 L C 2.384 179.251 176.870 -0.006 0.000 1.083 372 L CA 1.172 55.967 54.840 -0.076 0.000 0.752 372 L CB -0.773 41.270 42.059 -0.026 0.000 0.899 372 L HN 0.104 nan 8.230 nan 0.000 0.433 373 A N -1.400 121.417 122.820 -0.004 0.000 2.251 373 A HA -0.068 4.252 4.320 0.000 0.000 0.209 373 A C 0.595 178.178 177.584 -0.001 0.000 1.187 373 A CA -0.170 51.867 52.037 -0.000 0.000 0.823 373 A CB -0.440 18.557 19.000 -0.004 0.000 0.846 373 A HN 0.298 nan 8.150 nan 0.000 0.486 374 D N 1.229 121.631 120.400 0.003 0.000 2.660 374 D HA -0.019 4.621 4.640 0.000 0.000 0.253 374 D C -1.359 174.957 176.300 0.027 0.000 1.256 374 D CA -0.862 53.147 54.000 0.013 0.000 0.914 374 D CB 0.855 41.703 40.800 0.080 0.000 1.137 374 D HN 0.222 nan 8.370 nan 0.000 0.542 375 P HA 0.032 nan 4.420 nan 0.000 0.251 375 P C -0.182 177.077 177.300 -0.069 0.000 1.223 375 P CA 0.061 63.143 63.100 -0.030 0.000 0.796 375 P CB 0.287 31.965 31.700 -0.036 0.000 1.068 376 E N 0.645 120.779 120.200 -0.110 0.000 2.415 376 E HA 0.176 4.526 4.350 0.000 0.000 0.262 376 E C 0.517 176.903 176.600 -0.357 0.000 1.038 376 E CA 0.319 56.552 56.400 -0.279 0.000 0.921 376 E CB 0.348 29.795 29.700 -0.423 0.000 0.950 376 E HN 0.170 nan 8.360 nan 0.000 0.438 377 T N -0.450 113.865 114.554 -0.398 0.000 2.944 377 T HA 0.520 4.870 4.350 0.000 0.000 0.284 377 T C -0.781 173.595 174.700 -0.540 0.000 1.010 377 T CA -0.674 61.247 62.100 -0.299 0.000 1.025 377 T CB 0.563 69.348 68.868 -0.138 0.000 1.079 377 T HN 0.326 nan 8.240 nan 0.000 0.516 378 Y N -0.805 119.465 120.300 -0.050 0.000 2.545 378 Y HA 0.413 4.963 4.550 0.000 0.000 0.348 378 Y C 1.412 177.283 175.900 -0.047 0.000 1.002 378 Y CA -1.130 56.941 58.100 -0.048 0.000 1.039 378 Y CB 1.975 40.399 38.460 -0.061 0.000 1.271 378 Y HN 0.731 nan 8.280 nan 0.000 0.467 379 E N 0.365 120.636 120.200 0.118 0.000 2.208 379 E HA -0.142 4.208 4.350 0.000 0.000 0.193 379 E C -0.057 176.564 176.600 0.035 0.000 0.988 379 E CA 1.439 57.869 56.400 0.050 0.000 0.828 379 E CB 0.102 29.823 29.700 0.035 0.000 0.763 379 E HN 0.648 nan 8.360 nan 0.000 0.478 380 D N -0.604 119.818 120.400 0.038 0.000 2.559 380 D HA 0.265 4.905 4.640 0.000 0.000 0.234 380 D C 0.649 176.918 176.300 -0.052 0.000 1.226 380 D CA 0.107 54.098 54.000 -0.015 0.000 0.830 380 D CB 0.500 41.281 40.800 -0.032 0.000 1.028 380 D HN 0.139 nan 8.370 nan 0.000 0.492 381 G N -0.109 108.673 108.800 -0.029 0.000 2.483 381 G HA2 -0.094 3.866 3.960 0.000 0.000 0.521 381 G HA3 -0.094 3.866 3.960 0.000 0.000 0.521 381 G C -0.497 174.361 174.900 -0.070 0.000 1.278 381 G CA -0.664 44.397 45.100 -0.065 0.000 0.965 381 G HN 0.151 nan 8.290 nan 0.000 0.504 382 M N 0.071 119.598 119.600 -0.123 0.000 2.197 382 M HA 0.517 4.997 4.480 0.000 0.000 0.305 382 M C 0.810 176.916 176.300 -0.322 0.000 1.162 382 M CA -0.332 54.880 55.300 -0.147 0.000 1.099 382 M CB 0.661 33.176 32.600 -0.142 0.000 1.430 382 M HN 0.456 nan 8.290 nan 0.000 0.481 383 R N 0.407 120.658 120.500 -0.416 0.000 2.540 383 R HA 0.318 4.658 4.340 0.000 0.000 0.287 383 R C 0.816 176.757 176.300 -0.598 0.000 0.980 383 R CA -0.455 55.269 56.100 -0.626 0.000 0.966 383 R CB 0.973 30.749 30.300 -0.874 0.000 1.106 383 R HN 0.556 nan 8.270 nan 0.000 0.480 384 V N 2.334 121.911 119.914 -0.560 0.000 2.407 384 V HA -0.271 3.849 4.120 0.000 0.000 0.248 384 V C 1.946 177.926 176.094 -0.190 0.000 1.055 384 V CA 2.336 64.402 62.300 -0.390 0.000 1.049 384 V CB -0.896 30.616 31.823 -0.519 0.000 0.662 384 V HN 0.846 nan 8.190 nan 0.000 0.455 385 H N 0.177 119.263 119.070 0.027 0.000 2.421 385 H HA -0.149 4.407 4.556 0.000 0.000 0.298 385 H C 2.087 177.357 175.328 -0.097 0.000 1.087 385 H CA 1.536 57.556 56.048 -0.047 0.000 1.330 385 H CB -0.581 29.084 29.762 -0.161 0.000 1.388 385 H HN 0.462 nan 8.280 nan 0.000 0.526 386 Q N 0.683 120.362 119.800 -0.202 0.000 2.123 386 Q HA -0.038 4.302 4.340 0.000 0.000 0.199 386 Q C 2.482 178.444 176.000 -0.064 0.000 0.966 386 Q CA 1.245 56.996 55.803 -0.087 0.000 0.845 386 Q CB 0.118 28.790 28.738 -0.109 0.000 0.907 386 Q HN 0.397 nan 8.270 nan 0.000 0.439 387 V N 1.148 121.003 119.914 -0.098 0.000 2.295 387 V HA -0.267 3.853 4.120 0.000 0.000 0.246 387 V C 2.113 178.213 176.094 0.009 0.000 1.049 387 V CA 1.687 63.950 62.300 -0.061 0.000 1.024 387 V CB -0.411 31.353 31.823 -0.099 0.000 0.648 387 V HN 0.330 nan 8.190 nan 0.000 0.447 388 I N 0.174 120.776 120.570 0.054 0.000 2.315 388 I HA -0.213 3.957 4.170 0.000 0.000 0.248 388 I C 2.293 178.477 176.117 0.111 0.000 1.117 388 I CA 1.784 63.160 61.300 0.127 0.000 1.404 388 I CB -0.387 37.744 38.000 0.219 0.000 1.071 388 I HN 0.363 nan 8.210 nan 0.000 0.419 389 D N 0.539 120.978 120.400 0.065 0.000 2.123 389 D HA -0.177 4.463 4.640 0.000 0.000 0.196 389 D C 2.235 178.573 176.300 0.064 0.000 0.992 389 D CA 1.651 55.684 54.000 0.056 0.000 0.833 389 D CB 0.144 40.959 40.800 0.026 0.000 0.954 389 D HN 0.146 nan 8.370 nan 0.000 0.455 390 S N -0.570 115.159 115.700 0.047 0.000 2.356 390 S HA -0.182 4.288 4.470 0.000 0.000 0.223 390 S C 2.073 176.726 174.600 0.088 0.000 1.032 390 S CA 1.153 59.381 58.200 0.047 0.000 1.005 390 S CB -0.300 62.907 63.200 0.012 0.000 0.867 390 S HN 0.348 nan 8.310 nan 0.000 0.449 391 M N 1.570 121.239 119.600 0.114 0.000 2.108 391 M HA -0.131 4.349 4.480 0.000 0.000 0.261 391 M C 1.837 178.303 176.300 0.277 0.000 1.066 391 M CA 1.169 56.604 55.300 0.226 0.000 1.107 391 M CB -0.667 32.078 32.600 0.242 0.000 1.356 391 M HN 0.198 nan 8.290 nan 0.000 0.406 392 N N 0.010 118.820 118.700 0.184 0.000 2.104 392 N HA -0.118 4.622 4.740 0.000 0.000 0.190 392 N C 1.679 177.260 175.510 0.120 0.000 1.024 392 N CA 1.826 54.960 53.050 0.141 0.000 0.853 392 N CB -0.800 37.754 38.487 0.113 0.000 1.008 392 N HN 0.325 nan 8.380 nan 0.000 0.424 393 T N 0.526 115.147 114.554 0.112 0.000 2.708 393 T HA -0.033 4.317 4.350 0.000 0.000 0.266 393 T C 2.083 176.850 174.700 0.111 0.000 1.037 393 T CA 0.959 63.113 62.100 0.090 0.000 1.146 393 T CB -0.275 68.634 68.868 0.068 0.000 0.865 393 T HN -0.010 nan 8.240 nan 0.000 0.435 394 V N 1.207 121.223 119.914 0.170 0.000 2.591 394 V HA -0.070 4.050 4.120 0.000 0.000 0.249 394 V C 2.377 178.623 176.094 0.254 0.000 1.053 394 V CA 1.301 63.734 62.300 0.221 0.000 1.068 394 V CB -0.541 31.425 31.823 0.238 0.000 0.689 394 V HN 0.373 nan 8.190 nan 0.000 0.462 395 M N 0.683 120.426 119.600 0.238 0.000 2.086 395 M HA -0.185 4.295 4.480 0.000 0.000 0.261 395 M C 2.036 178.309 176.300 -0.044 0.000 1.067 395 M CA 1.971 57.213 55.300 -0.096 0.000 1.116 395 M CB -0.704 31.779 32.600 -0.195 0.000 1.348 395 M HN 0.402 nan 8.290 nan 0.000 0.407 396 E N -0.406 119.806 120.200 0.020 0.000 2.110 396 E HA -0.242 4.108 4.350 0.000 0.000 0.193 396 E C 1.806 178.419 176.600 0.021 0.000 0.988 396 E CA 1.680 58.091 56.400 0.019 0.000 0.804 396 E CB -0.092 29.629 29.700 0.034 0.000 0.745 396 E HN 0.706 nan 8.360 nan 0.000 0.458 397 E N -0.011 120.213 120.200 0.040 0.000 2.028 397 E HA -0.168 4.182 4.350 0.000 0.000 0.191 397 E C 2.020 178.639 176.600 0.031 0.000 0.988 397 E CA 1.040 57.464 56.400 0.039 0.000 0.799 397 E CB -0.137 29.595 29.700 0.055 0.000 0.755 397 E HN 0.313 nan 8.360 nan 0.000 0.447 398 A N 1.142 123.986 122.820 0.040 0.000 1.968 398 A HA 0.137 4.457 4.320 0.000 0.000 0.217 398 A C 1.295 178.873 177.584 -0.009 0.000 1.169 398 A CA 0.956 53.011 52.037 0.030 0.000 0.638 398 A CB -0.140 18.904 19.000 0.074 0.000 0.812 398 A HN 0.236 nan 8.150 nan 0.000 0.446 399 A N 0.335 123.133 122.820 -0.036 0.000 2.303 399 A HA 0.556 4.876 4.320 0.000 0.000 0.317 399 A C -0.140 177.434 177.584 -0.017 0.000 1.149 399 A CA -0.650 51.361 52.037 -0.043 0.000 0.822 399 A CB 0.374 19.328 19.000 -0.077 0.000 1.131 399 A HN 0.282 nan 8.150 nan 0.000 0.493 400 E N 1.168 121.362 120.200 -0.010 0.000 2.418 400 E HA 0.176 4.526 4.350 0.000 0.000 0.261 400 E C -2.277 174.324 176.600 0.000 0.000 1.070 400 E CA -1.619 54.780 56.400 -0.001 0.000 0.931 400 E CB -0.338 29.363 29.700 0.002 0.000 0.954 400 E HN 0.315 nan 8.360 nan 0.000 0.439 401 P HA -0.041 nan 4.420 nan 0.000 0.260 401 P C 0.554 177.861 177.300 0.011 0.000 1.172 401 P CA 1.301 64.407 63.100 0.010 0.000 0.760 401 P CB 0.189 31.896 31.700 0.013 0.000 0.773 402 G N 1.719 110.528 108.800 0.014 0.000 2.155 402 G HA2 -0.237 3.723 3.960 0.000 0.000 0.257 402 G HA3 -0.237 3.723 3.960 0.000 0.000 0.257 402 G C 0.054 174.962 174.900 0.013 0.000 0.983 402 G CA -0.064 45.046 45.100 0.016 0.000 0.676 402 G HN 0.557 nan 8.290 nan 0.000 0.528 403 E N -0.968 119.235 120.200 0.005 0.000 2.412 403 E HA 0.652 5.002 4.350 0.000 0.000 0.255 403 E C 0.497 177.084 176.600 -0.020 0.000 0.933 403 E CA -0.551 55.848 56.400 -0.002 0.000 0.823 403 E CB 1.775 31.472 29.700 -0.004 0.000 1.352 403 E HN 1.534 nan 8.360 nan 0.000 0.406 404 G N 0.188 108.967 108.800 -0.035 0.000 2.721 404 G HA2 -0.121 3.839 3.960 0.000 0.000 0.686 404 G HA3 -0.121 3.839 3.960 0.000 0.000 0.686 404 G C -0.784 174.090 174.900 -0.044 0.000 1.236 404 G CA -0.546 44.504 45.100 -0.084 0.000 0.786 404 G HN 0.385 nan 8.290 nan 0.000 0.616 405 T N 1.530 116.046 114.554 -0.063 0.000 2.928 405 T HA 0.614 4.964 4.350 0.000 0.000 0.296 405 T C 0.243 174.952 174.700 0.015 0.000 1.000 405 T CA -0.475 61.630 62.100 0.007 0.000 0.989 405 T CB 1.466 70.348 68.868 0.024 0.000 1.005 405 T HN 0.669 nan 8.240 nan 0.000 0.442 406 I N 3.103 123.735 120.570 0.103 0.000 2.321 406 I HA 0.433 4.603 4.170 0.000 0.000 0.291 406 I C -0.325 175.862 176.117 0.116 0.000 0.998 406 I CA -0.927 60.487 61.300 0.190 0.000 1.227 406 I CB 1.415 39.607 38.000 0.321 0.000 1.368 406 I HN 0.284 nan 8.210 nan 0.000 0.466 407 V N 5.063 125.035 119.914 0.097 0.000 2.472 407 V HA 0.393 4.513 4.120 0.000 0.000 0.290 407 V C 0.082 176.223 176.094 0.078 0.000 1.037 407 V CA -0.420 61.887 62.300 0.011 0.000 0.908 407 V CB 1.763 33.604 31.823 0.030 0.000 0.985 407 V HN 0.758 nan 8.190 nan 0.000 0.454 408 S N 2.667 118.372 115.700 0.008 0.000 2.502 408 S HA 0.367 4.837 4.470 0.000 0.000 0.304 408 S C -0.456 174.303 174.600 0.265 0.000 1.097 408 S CA -0.686 57.628 58.200 0.191 0.000 1.045 408 S CB 1.314 64.616 63.200 0.170 0.000 1.019 408 S HN 0.880 nan 8.310 nan 0.000 0.481 409 D N 2.125 122.794 120.400 0.448 0.000 2.376 409 D HA 0.252 4.892 4.640 0.000 0.000 0.268 409 D C -0.081 176.393 176.300 0.290 0.000 1.252 409 D CA -0.129 54.156 54.000 0.474 0.000 1.041 409 D CB 0.485 41.609 40.800 0.541 0.000 1.109 409 D HN 0.438 nan 8.370 nan 0.000 0.552 410 I N -0.435 120.296 120.570 0.268 0.000 2.493 410 I HA 0.609 4.780 4.170 0.000 0.000 0.298 410 I C 0.986 177.114 176.117 0.018 0.000 0.998 410 I CA -0.315 60.979 61.300 -0.010 0.000 1.137 410 I CB 0.492 38.536 38.000 0.074 0.000 1.310 410 I HN 0.580 nan 8.210 nan 0.000 0.445 411 G N 3.853 112.484 108.800 -0.282 0.000 2.343 411 G HA2 0.092 4.052 3.960 0.000 0.000 0.289 411 G HA3 0.092 4.052 3.960 0.000 0.000 0.289 411 G C -0.364 174.426 174.900 -0.184 0.000 1.295 411 G CA -0.641 44.426 45.100 -0.054 0.000 0.869 411 G HN 0.296 nan 8.290 nan 0.000 0.522 412 F N 0.925 120.807 119.950 -0.113 0.000 2.134 412 F HA 0.046 4.573 4.527 0.000 0.000 0.299 412 F C 2.606 178.410 175.800 0.006 0.000 1.097 412 F CA 2.161 60.084 58.000 -0.128 0.000 1.264 412 F CB -0.601 38.226 39.000 -0.288 0.000 1.001 412 F HN 0.446 nan 8.300 nan 0.000 0.479 413 F N 0.186 120.212 119.950 0.127 0.000 2.250 413 F HA -0.119 4.408 4.527 0.000 0.000 0.301 413 F C 2.318 178.180 175.800 0.105 0.000 1.077 413 F CA 1.436 59.489 58.000 0.089 0.000 1.348 413 F CB -1.256 37.814 39.000 0.116 0.000 1.040 413 F HN -0.111 nan 8.300 nan 0.000 0.509 414 R N 0.653 120.557 120.500 -0.993 0.000 2.096 414 R HA -0.170 4.170 4.340 0.000 0.000 0.235 414 R C 2.032 178.035 176.300 -0.495 0.000 1.127 414 R CA 1.950 57.609 56.100 -0.736 0.000 0.968 414 R CB -0.936 28.811 30.300 -0.922 0.000 0.861 414 R HN 0.480 nan 8.270 nan 0.000 0.440 415 H N -1.222 117.649 119.070 -0.331 0.000 2.502 415 H HA -0.072 4.484 4.556 0.000 0.000 0.283 415 H C 1.644 176.794 175.328 -0.297 0.000 1.015 415 H CA 0.970 56.802 56.048 -0.360 0.000 1.298 415 H CB -0.117 29.390 29.762 -0.425 0.000 1.411 415 H HN 0.238 nan 8.280 nan 0.000 0.556 416 Y N 0.950 121.154 120.300 -0.161 0.000 2.145 416 Y HA -0.123 4.427 4.550 0.000 0.000 0.286 416 Y C 2.893 178.787 175.900 -0.010 0.000 1.145 416 Y CA 1.204 59.314 58.100 0.016 0.000 1.148 416 Y CB -0.694 37.910 38.460 0.241 0.000 0.981 416 Y HN 0.199 nan 8.280 nan 0.000 0.507 417 G N -0.313 108.573 108.800 0.144 0.000 2.476 417 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 417 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 417 G C 1.808 176.361 174.900 -0.580 0.000 1.164 417 G CA 1.632 46.716 45.100 -0.026 0.000 0.768 417 G HN 0.292 nan 8.290 nan 0.000 0.560 418 V N 0.815 120.420 119.914 -0.514 0.000 2.332 418 V HA -0.155 3.965 4.120 0.000 0.000 0.248 418 V C 2.890 178.699 176.094 -0.474 0.000 1.055 418 V CA 1.631 63.598 62.300 -0.555 0.000 1.038 418 V CB -0.421 31.146 31.823 -0.427 0.000 0.651 418 V HN 0.349 nan 8.190 nan 0.000 0.450 419 L N -1.930 118.966 121.223 -0.544 0.000 2.131 419 L HA -0.022 4.318 4.340 0.000 0.000 0.206 419 L C 2.070 178.525 176.870 -0.692 0.000 1.087 419 L CA 1.443 55.821 54.840 -0.771 0.000 0.767 419 L CB -0.219 41.026 42.059 -1.356 0.000 0.917 419 L HN 0.310 nan 8.230 nan 0.000 0.441 420 F N -0.867 118.991 119.950 -0.152 0.000 2.740 420 F HA 0.348 4.876 4.527 0.000 0.000 0.304 420 F C 1.303 177.061 175.800 -0.070 0.000 1.098 420 F CA -0.772 57.187 58.000 -0.068 0.000 1.258 420 F CB -0.420 38.605 39.000 0.041 0.000 1.061 420 F HN -0.222 nan 8.300 nan 0.000 0.598 421 A N 1.851 124.658 122.820 -0.022 0.000 2.477 421 A HA 0.298 4.618 4.320 0.000 0.000 0.246 421 A C 0.693 178.268 177.584 -0.015 0.000 1.078 421 A CA -0.385 51.641 52.037 -0.018 0.000 0.770 421 A CB 0.017 18.952 19.000 -0.109 0.000 1.011 421 A HN 0.332 nan 8.150 nan 0.000 0.494 422 R N 1.826 122.371 120.500 0.075 0.000 2.489 422 R HA 0.414 4.754 4.340 0.000 0.000 0.287 422 R C -0.433 175.924 176.300 0.094 0.000 1.053 422 R CA 0.622 56.765 56.100 0.072 0.000 1.036 422 R CB 0.276 30.622 30.300 0.077 0.000 0.966 422 R HN 0.834 nan 8.270 nan 0.000 0.432 423 A N 4.212 127.079 122.820 0.079 0.000 2.457 423 A HA 0.193 4.513 4.320 0.000 0.000 0.283 423 A C -0.830 176.794 177.584 0.068 0.000 1.166 423 A CA -0.739 51.361 52.037 0.104 0.000 0.740 423 A CB 1.438 20.526 19.000 0.147 0.000 1.181 423 A HN 0.859 nan 8.150 nan 0.000 0.446 424 D N 1.452 121.886 120.400 0.056 0.000 2.368 424 D HA 0.156 4.796 4.640 0.000 0.000 0.218 424 D C 0.473 176.792 176.300 0.032 0.000 1.112 424 D CA 0.745 54.769 54.000 0.040 0.000 0.834 424 D CB 0.242 41.060 40.800 0.031 0.000 0.953 424 D HN 0.754 nan 8.370 nan 0.000 0.505 425 Q N -1.562 118.260 119.800 0.036 0.000 2.575 425 Q HA 0.509 4.850 4.340 0.000 0.000 0.290 425 Q C -3.048 172.957 176.000 0.008 0.000 0.963 425 Q CA -2.109 53.705 55.803 0.018 0.000 0.783 425 Q CB 1.405 30.158 28.738 0.025 0.000 1.467 425 Q HN -0.257 nan 8.270 nan 0.000 0.402 426 P HA 0.062 nan 4.420 nan 0.000 0.265 426 P C -0.893 176.350 177.300 -0.095 0.000 1.193 426 P CA 0.306 63.294 63.100 -0.187 0.000 0.765 426 P CB -0.028 31.474 31.700 -0.328 0.000 0.823 427 F N 0.917 120.907 119.950 0.066 0.000 3.093 427 F HA -0.176 4.351 4.527 0.000 0.000 0.287 427 F C 1.560 177.398 175.800 0.063 0.000 0.882 427 F CA 1.185 59.221 58.000 0.061 0.000 1.063 427 F CB -2.567 36.455 39.000 0.037 0.000 1.097 427 F HN 0.499 nan 8.300 nan 0.000 0.604 428 G N -1.411 107.526 108.800 0.228 0.000 2.683 428 G HA2 0.149 4.109 3.960 0.000 0.000 0.213 428 G HA3 0.149 4.109 3.960 0.000 0.000 0.213 428 G C 0.055 175.099 174.900 0.240 0.000 1.142 428 G CA 0.350 45.556 45.100 0.177 0.000 0.793 428 G HN 0.341 nan 8.290 nan 0.000 0.534 429 F N 1.281 121.308 119.950 0.129 0.000 2.460 429 F HA 0.672 5.199 4.527 0.000 0.000 0.341 429 F C -1.023 174.872 175.800 0.158 0.000 1.130 429 F CA -1.477 56.599 58.000 0.126 0.000 0.962 429 F CB 1.232 40.296 39.000 0.106 0.000 1.171 429 F HN -0.257 nan 8.300 nan 0.000 0.436 430 L N 6.390 127.355 121.223 -0.430 0.000 2.305 430 L HA 0.601 4.941 4.340 0.000 0.000 0.284 430 L C -0.019 176.578 176.870 -0.455 0.000 1.013 430 L CA -0.378 54.281 54.840 -0.301 0.000 0.819 430 L CB 1.943 43.947 42.059 -0.093 0.000 1.227 430 L HN 0.720 nan 8.230 nan 0.000 0.417 431 T N 0.634 114.989 114.554 -0.331 0.000 2.778 431 T HA 0.273 4.623 4.350 0.000 0.000 0.293 431 T C -0.827 173.657 174.700 -0.361 0.000 1.144 431 T CA -0.365 61.573 62.100 -0.271 0.000 1.010 431 T CB 2.079 70.745 68.868 -0.336 0.000 1.325 431 T HN 0.386 nan 8.240 nan 0.000 0.515 432 S N 1.128 116.333 115.700 -0.824 0.000 2.430 432 S HA 0.505 4.975 4.470 0.000 0.000 0.282 432 S C 1.214 175.669 174.600 -0.242 0.000 1.186 432 S CA 0.031 57.779 58.200 -0.753 0.000 1.060 432 S CB 0.012 62.624 63.200 -0.981 0.000 0.966 432 S HN 0.787 nan 8.310 nan 0.000 0.501 433 A N 5.016 127.757 122.820 -0.131 0.000 1.832 433 A HA 0.189 4.509 4.320 0.000 0.000 0.214 433 A C 1.937 179.465 177.584 -0.093 0.000 1.204 433 A CA 1.385 53.385 52.037 -0.061 0.000 0.606 433 A CB -1.176 17.791 19.000 -0.055 0.000 0.849 433 A HN 0.900 nan 8.150 nan 0.000 0.445 434 G N -2.474 106.270 108.800 -0.093 0.000 2.762 434 G HA2 0.052 4.012 3.960 0.000 0.000 0.209 434 G HA3 0.052 4.012 3.960 0.000 0.000 0.209 434 G C 1.426 176.285 174.900 -0.069 0.000 1.134 434 G CA 0.975 46.021 45.100 -0.090 0.000 0.781 434 G HN 0.554 nan 8.290 nan 0.000 0.528 435 C N 0.183 119.447 119.300 -0.060 0.000 2.524 435 C HA 0.360 4.820 4.460 0.000 0.000 0.284 435 C C 1.747 176.714 174.990 -0.039 0.000 1.346 435 C CA 1.238 60.236 59.018 -0.033 0.000 1.739 435 C CB -0.497 27.251 27.740 0.013 0.000 2.119 435 C HN 0.442 nan 8.230 nan 0.000 0.501 436 S N 1.377 117.033 115.700 -0.074 0.000 3.631 436 S HA -0.169 4.301 4.470 0.000 0.000 0.366 436 S C 0.096 174.687 174.600 -0.014 0.000 0.993 436 S CA 0.710 58.868 58.200 -0.070 0.000 1.167 436 S CB -1.894 61.287 63.200 -0.030 0.000 0.909 436 S HN 0.866 nan 8.310 nan 0.000 0.478 437 S N 2.127 117.866 115.700 0.064 0.000 2.505 437 S HA 0.537 5.007 4.470 0.000 0.000 0.276 437 S C 0.597 175.379 174.600 0.304 0.000 1.274 437 S CA -0.813 57.463 58.200 0.128 0.000 1.053 437 S CB -0.015 63.306 63.200 0.203 0.000 0.919 437 S HN 0.517 nan 8.310 nan 0.000 0.490 438 F N 3.529 123.513 119.950 0.058 0.000 2.496 438 F HA 0.541 5.068 4.527 0.000 0.000 0.344 438 F C 1.257 177.127 175.800 0.116 0.000 1.155 438 F CA -0.947 57.122 58.000 0.116 0.000 1.302 438 F CB -1.130 37.938 39.000 0.113 0.000 1.159 438 F HN 0.845 nan 8.300 nan 0.000 0.595 439 G N 1.878 110.841 108.800 0.272 0.000 2.176 439 G HA2 -0.401 3.559 3.960 0.000 0.000 0.253 439 G HA3 -0.401 3.559 3.960 0.000 0.000 0.253 439 G C 0.697 175.875 174.900 0.464 0.000 0.979 439 G CA 0.408 45.629 45.100 0.203 0.000 0.641 439 G HN 1.032 nan 8.290 nan 0.000 0.530 440 Y N 1.522 122.045 120.300 0.371 0.000 2.256 440 Y HA 0.073 4.623 4.550 0.000 0.000 0.288 440 Y C 2.498 178.440 175.900 0.070 0.000 1.155 440 Y CA 2.634 60.870 58.100 0.228 0.000 1.203 440 Y CB -0.404 38.172 38.460 0.194 0.000 0.980 440 Y HN 0.233 nan 8.280 nan 0.000 0.530 441 G N 0.553 109.470 108.800 0.194 0.000 2.433 441 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 441 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 441 G C 1.737 176.629 174.900 -0.013 0.000 1.186 441 G CA 1.292 46.466 45.100 0.124 0.000 0.779 441 G HN 0.474 nan 8.290 nan 0.000 0.543 442 I N 1.904 122.475 120.570 0.002 0.000 2.091 442 I HA -0.148 4.022 4.170 0.000 0.000 0.239 442 I C 0.089 176.122 176.117 -0.141 0.000 1.061 442 I CA 1.514 62.791 61.300 -0.037 0.000 1.317 442 I CB -0.773 37.191 38.000 -0.060 0.000 1.031 442 I HN 0.200 nan 8.210 nan 0.000 0.401 443 P HA -0.152 nan 4.420 nan 0.000 0.218 443 P C 1.320 178.365 177.300 -0.425 0.000 1.149 443 P CA 1.918 64.805 63.100 -0.355 0.000 0.817 443 P CB -0.078 31.325 31.700 -0.495 0.000 0.785 444 A N 0.505 123.006 122.820 -0.532 0.000 1.930 444 A HA -0.018 4.302 4.320 0.000 0.000 0.217 444 A C 2.455 179.886 177.584 -0.255 0.000 1.175 444 A CA 1.989 53.717 52.037 -0.514 0.000 0.627 444 A CB -1.475 17.079 19.000 -0.743 0.000 0.815 444 A HN 0.220 nan 8.150 nan 0.000 0.443 445 A N -0.061 122.662 122.820 -0.162 0.000 1.930 445 A HA -0.034 4.286 4.320 0.000 0.000 0.217 445 A C 2.095 179.644 177.584 -0.060 0.000 1.175 445 A CA 1.384 53.384 52.037 -0.061 0.000 0.627 445 A CB -0.556 18.447 19.000 0.005 0.000 0.815 445 A HN 0.492 nan 8.150 nan 0.000 0.443 446 I N -0.318 120.195 120.570 -0.094 0.000 2.142 446 I HA -0.220 3.950 4.170 0.000 0.000 0.240 446 I C 2.754 178.820 176.117 -0.086 0.000 1.078 446 I CA 1.247 62.505 61.300 -0.070 0.000 1.343 446 I CB -0.721 37.230 38.000 -0.082 0.000 1.046 446 I HN 0.396 nan 8.210 nan 0.000 0.405 447 G N 0.433 109.118 108.800 -0.192 0.000 2.446 447 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 447 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 447 G C 1.851 176.692 174.900 -0.098 0.000 1.168 447 G CA 0.921 45.905 45.100 -0.193 0.000 0.771 447 G HN 0.504 nan 8.290 nan 0.000 0.551 448 A N 0.138 122.902 122.820 -0.093 0.000 1.877 448 A HA -0.096 4.224 4.320 0.000 0.000 0.216 448 A C 2.330 179.910 177.584 -0.008 0.000 1.186 448 A CA 2.276 54.287 52.037 -0.043 0.000 0.620 448 A CB -0.495 18.484 19.000 -0.035 0.000 0.822 448 A HN 0.411 nan 8.150 nan 0.000 0.443 449 Q N -0.643 119.157 119.800 -0.000 0.000 2.167 449 Q HA -0.024 4.316 4.340 0.000 0.000 0.202 449 Q C 1.931 177.946 176.000 0.026 0.000 0.970 449 Q CA 1.843 57.658 55.803 0.021 0.000 0.855 449 Q CB -0.385 28.372 28.738 0.032 0.000 0.911 449 Q HN 0.699 nan 8.270 nan 0.000 0.438 450 M N -1.233 118.384 119.600 0.029 0.000 2.254 450 M HA -0.015 4.465 4.480 0.000 0.000 0.265 450 M C 1.994 178.318 176.300 0.039 0.000 1.066 450 M CA 1.232 56.560 55.300 0.047 0.000 1.123 450 M CB -0.105 32.551 32.600 0.093 0.000 1.388 450 M HN 0.307 nan 8.290 nan 0.000 0.425 451 A N 0.377 123.214 122.820 0.028 0.000 1.968 451 A HA -0.013 4.307 4.320 0.000 0.000 0.217 451 A C 1.224 178.826 177.584 0.030 0.000 1.169 451 A CA 1.011 53.065 52.037 0.028 0.000 0.638 451 A CB -0.118 18.893 19.000 0.019 0.000 0.812 451 A HN 0.410 nan 8.150 nan 0.000 0.446 452 R N -0.367 120.149 120.500 0.026 0.000 2.651 452 R HA 0.209 4.549 4.340 0.000 0.000 0.282 452 R C -2.205 174.109 176.300 0.023 0.000 1.565 452 R CA -1.521 54.594 56.100 0.025 0.000 1.661 452 R CB 0.978 31.294 30.300 0.025 0.000 1.189 452 R HN 0.274 nan 8.270 nan 0.000 0.621 453 P HA -0.126 nan 4.420 nan 0.000 0.220 453 P C -0.075 177.238 177.300 0.021 0.000 1.148 453 P CA 1.144 64.258 63.100 0.023 0.000 0.803 453 P CB 0.393 32.106 31.700 0.021 0.000 0.782 454 D N -0.671 119.740 120.400 0.018 0.000 2.388 454 D HA 0.099 4.739 4.640 0.000 0.000 0.221 454 D C 0.594 176.901 176.300 0.011 0.000 1.133 454 D CA 0.282 54.291 54.000 0.015 0.000 0.831 454 D CB 0.412 41.220 40.800 0.014 0.000 0.962 454 D HN 0.376 nan 8.370 nan 0.000 0.502 455 Q N 0.741 120.547 119.800 0.009 0.000 2.345 455 Q HA 0.425 4.765 4.340 0.000 0.000 0.268 455 Q C -2.600 173.394 176.000 -0.010 0.000 1.054 455 Q CA -2.036 53.764 55.803 -0.005 0.000 0.835 455 Q CB 2.165 30.899 28.738 -0.007 0.000 1.339 455 Q HN -0.130 nan 8.270 nan 0.000 0.447 456 P HA 0.075 nan 4.420 nan 0.000 0.271 456 P C -1.052 176.186 177.300 -0.104 0.000 1.216 456 P CA -0.032 63.025 63.100 -0.071 0.000 0.776 456 P CB 0.650 32.223 31.700 -0.212 0.000 0.881 457 T N 3.737 118.310 114.554 0.032 0.000 2.906 457 T HA 0.473 4.823 4.350 0.000 0.000 0.302 457 T C -0.762 174.144 174.700 0.343 0.000 1.002 457 T CA -0.213 61.939 62.100 0.087 0.000 0.988 457 T CB -0.037 68.881 68.868 0.084 0.000 0.972 457 T HN 0.037 nan 8.240 nan 0.000 0.447 458 F N 2.877 122.863 119.950 0.060 0.000 2.421 458 F HA 0.705 5.232 4.527 0.000 0.000 0.337 458 F C -0.019 175.819 175.800 0.062 0.000 1.105 458 F CA -2.179 55.858 58.000 0.062 0.000 1.049 458 F CB 1.340 40.384 39.000 0.073 0.000 1.139 458 F HN 0.310 nan 8.300 nan 0.000 0.479 459 L N 4.964 126.320 121.223 0.221 0.000 2.346 459 L HA 0.662 5.002 4.340 0.000 0.000 0.276 459 L C -1.259 175.659 176.870 0.080 0.000 1.006 459 L CA -0.501 54.425 54.840 0.143 0.000 0.817 459 L CB 1.591 43.715 42.059 0.108 0.000 1.272 459 L HN 0.590 nan 8.230 nan 0.000 0.421 460 I N 4.701 125.340 120.570 0.116 0.000 2.404 460 I HA 0.846 5.016 4.170 0.000 0.000 0.293 460 I C -0.820 175.289 176.117 -0.013 0.000 0.992 460 I CA -0.263 61.050 61.300 0.023 0.000 1.149 460 I CB 1.420 39.494 38.000 0.123 0.000 1.315 460 I HN 0.904 nan 8.210 nan 0.000 0.446 461 A N 4.893 127.510 122.820 -0.340 0.000 2.556 461 A HA 0.838 5.158 4.320 0.000 0.000 0.294 461 A C -0.513 176.523 177.584 -0.913 0.000 1.091 461 A CA -0.438 51.344 52.037 -0.424 0.000 0.704 461 A CB 1.408 20.428 19.000 0.033 0.000 1.300 461 A HN 0.791 nan 8.150 nan 0.000 0.406 462 G N -0.403 107.896 108.800 -0.835 0.000 2.477 462 G HA2 0.440 4.400 3.960 0.000 0.000 0.304 462 G HA3 0.440 4.400 3.960 0.000 0.000 0.304 462 G C 0.443 175.245 174.900 -0.164 0.000 1.175 462 G CA 0.326 45.154 45.100 -0.453 0.000 0.907 462 G HN 0.809 nan 8.290 nan 0.000 0.509 463 D N 0.064 120.395 120.400 -0.115 0.000 2.144 463 D HA -0.114 4.526 4.640 0.000 0.000 0.199 463 D C 2.076 178.466 176.300 0.150 0.000 0.984 463 D CA 1.391 55.352 54.000 -0.065 0.000 0.834 463 D CB -0.636 40.240 40.800 0.127 0.000 0.955 463 D HN 0.464 nan 8.370 nan 0.000 0.465 464 G N 0.839 109.804 108.800 0.276 0.000 2.414 464 G HA2 -0.119 3.841 3.960 0.000 0.000 0.215 464 G HA3 -0.119 3.841 3.960 0.000 0.000 0.215 464 G C 1.782 176.730 174.900 0.081 0.000 1.188 464 G CA 1.072 46.361 45.100 0.314 0.000 0.783 464 G HN 0.471 nan 8.290 nan 0.000 0.537 465 G N 0.172 109.083 108.800 0.185 0.000 2.404 465 G HA2 -0.131 3.829 3.960 0.000 0.000 0.215 465 G HA3 -0.131 3.829 3.960 0.000 0.000 0.215 465 G C 1.641 176.503 174.900 -0.063 0.000 1.174 465 G CA 0.806 45.918 45.100 0.020 0.000 0.780 465 G HN 0.304 nan 8.290 nan 0.000 0.537 466 F N 1.014 120.919 119.950 -0.074 0.000 2.095 466 F HA -0.139 4.388 4.527 0.000 0.000 0.298 466 F C 2.466 178.257 175.800 -0.014 0.000 1.104 466 F CA 2.058 60.004 58.000 -0.091 0.000 1.232 466 F CB -0.241 38.616 39.000 -0.239 0.000 0.987 466 F HN 0.253 nan 8.300 nan 0.000 0.475 467 H N -0.274 118.770 119.070 -0.043 0.000 2.495 467 H HA -0.027 4.529 4.556 0.000 0.000 0.287 467 H C 2.464 177.611 175.328 -0.302 0.000 1.033 467 H CA 1.069 57.063 56.048 -0.089 0.000 1.307 467 H CB -0.474 29.308 29.762 0.033 0.000 1.401 467 H HN 0.343 nan 8.280 nan 0.000 0.555 468 S N -0.909 114.521 115.700 -0.450 0.000 2.440 468 S HA -0.151 4.319 4.470 0.000 0.000 0.238 468 S C 1.400 175.716 174.600 -0.474 0.000 1.010 468 S CA 1.517 59.346 58.200 -0.618 0.000 0.972 468 S CB -0.056 62.391 63.200 -1.255 0.000 0.774 468 S HN 0.436 nan 8.310 nan 0.000 0.501 469 N N 0.040 118.494 118.700 -0.411 0.000 2.471 469 N HA 0.188 4.928 4.740 0.000 0.000 0.270 469 N C 0.700 175.991 175.510 -0.364 0.000 1.490 469 N CA 0.556 53.418 53.050 -0.314 0.000 0.850 469 N CB 0.576 38.971 38.487 -0.153 0.000 1.411 469 N HN 0.353 nan 8.380 nan 0.000 0.488 470 S N -2.146 113.305 115.700 -0.416 0.000 2.522 470 S HA 0.040 4.510 4.470 0.000 0.000 0.227 470 S C 1.585 176.064 174.600 -0.202 0.000 0.986 470 S CA 0.409 58.324 58.200 -0.475 0.000 0.929 470 S CB -0.032 63.038 63.200 -0.218 0.000 0.769 470 S HN 0.119 nan 8.310 nan 0.000 0.529 471 S N 2.069 117.680 115.700 -0.147 0.000 2.447 471 S HA -0.039 4.431 4.470 0.000 0.000 0.233 471 S C 1.174 175.751 174.600 -0.037 0.000 1.006 471 S CA 0.882 59.043 58.200 -0.064 0.000 0.957 471 S CB -0.341 62.829 63.200 -0.049 0.000 0.773 471 S HN 0.563 nan 8.310 nan 0.000 0.507 472 D N 1.065 121.429 120.400 -0.060 0.000 2.336 472 D HA 0.121 4.762 4.640 0.000 0.000 0.229 472 D C 1.467 177.757 176.300 -0.016 0.000 1.061 472 D CA 0.061 54.043 54.000 -0.029 0.000 0.875 472 D CB 0.018 40.799 40.800 -0.032 0.000 0.904 472 D HN 0.344 nan 8.370 nan 0.000 0.525 473 L N 0.783 121.999 121.223 -0.012 0.000 2.081 473 L HA -0.181 4.159 4.340 0.000 0.000 0.212 473 L C 2.519 179.413 176.870 0.040 0.000 1.080 473 L CA 1.116 55.982 54.840 0.044 0.000 0.754 473 L CB -0.158 41.953 42.059 0.087 0.000 0.893 473 L HN -0.002 nan 8.230 nan 0.000 0.433 474 E N -0.287 119.930 120.200 0.029 0.000 2.150 474 E HA -0.174 4.176 4.350 0.000 0.000 0.193 474 E C 1.916 178.533 176.600 0.029 0.000 0.985 474 E CA 1.690 58.108 56.400 0.030 0.000 0.814 474 E CB 0.076 29.791 29.700 0.026 0.000 0.752 474 E HN 0.444 nan 8.360 nan 0.000 0.466 475 T N 1.299 115.869 114.554 0.026 0.000 2.857 475 T HA -0.020 4.330 4.350 0.000 0.000 0.266 475 T C 2.077 176.795 174.700 0.029 0.000 1.048 475 T CA 0.977 63.093 62.100 0.027 0.000 1.139 475 T CB -0.094 68.788 68.868 0.024 0.000 0.874 475 T HN 0.167 nan 8.240 nan 0.000 0.455 476 I N 1.420 122.009 120.570 0.032 0.000 2.226 476 I HA -0.185 3.985 4.170 0.000 0.000 0.245 476 I C 2.925 179.068 176.117 0.044 0.000 1.100 476 I CA 1.137 62.462 61.300 0.041 0.000 1.374 476 I CB -0.458 37.573 38.000 0.051 0.000 1.057 476 I HN 0.207 nan 8.210 nan 0.000 0.413 477 A N 0.836 123.682 122.820 0.043 0.000 1.898 477 A HA -0.232 4.088 4.320 0.000 0.000 0.216 477 A C 2.425 180.030 177.584 0.034 0.000 1.181 477 A CA 1.726 53.788 52.037 0.042 0.000 0.620 477 A CB -0.608 18.417 19.000 0.041 0.000 0.819 477 A HN 0.368 nan 8.150 nan 0.000 0.442 478 R N -0.246 120.272 120.500 0.030 0.000 2.081 478 R HA -0.002 4.338 4.340 0.000 0.000 0.235 478 R C 1.469 177.781 176.300 0.021 0.000 1.131 478 R CA 1.507 57.621 56.100 0.024 0.000 0.960 478 R CB -0.359 29.955 30.300 0.023 0.000 0.856 478 R HN 0.481 nan 8.270 nan 0.000 0.436 479 L N 0.820 122.056 121.223 0.022 0.000 2.599 479 L HA 0.062 4.402 4.340 0.000 0.000 0.230 479 L C 0.367 177.252 176.870 0.024 0.000 1.141 479 L CA -0.023 54.828 54.840 0.019 0.000 0.877 479 L CB -0.401 41.670 42.059 0.021 0.000 1.009 479 L HN 0.333 nan 8.230 nan 0.000 0.447 480 N N 1.213 119.931 118.700 0.030 0.000 2.714 480 N HA -0.218 4.522 4.740 0.000 0.000 0.252 480 N C -0.589 174.944 175.510 0.039 0.000 1.014 480 N CA 0.500 53.571 53.050 0.035 0.000 0.735 480 N CB -1.167 37.337 38.487 0.029 0.000 0.924 480 N HN 0.275 nan 8.380 nan 0.000 0.540 481 L N 0.643 121.893 121.223 0.045 0.000 2.281 481 L HA 0.356 4.696 4.340 0.000 0.000 0.285 481 L C -1.320 175.589 176.870 0.064 0.000 1.074 481 L CA -1.683 53.187 54.840 0.049 0.000 0.817 481 L CB 1.044 43.131 42.059 0.047 0.000 1.168 481 L HN 0.070 nan 8.230 nan 0.000 0.434 482 P HA 0.124 nan 4.420 nan 0.000 0.237 482 P C -0.020 177.349 177.300 0.115 0.000 1.723 482 P CA 0.004 63.155 63.100 0.085 0.000 0.882 482 P CB -0.341 31.402 31.700 0.071 0.000 1.810 483 I N 0.131 120.768 120.570 0.113 0.000 2.556 483 I HA 0.039 4.210 4.170 0.000 0.000 0.284 483 I C 0.609 176.813 176.117 0.144 0.000 1.114 483 I CA -0.323 61.060 61.300 0.137 0.000 1.418 483 I CB 1.007 39.069 38.000 0.103 0.000 1.394 483 I HN -0.164 nan 8.210 nan 0.000 0.552 484 V N 5.818 125.835 119.914 0.172 0.000 2.350 484 V HA 0.262 4.382 4.120 0.000 0.000 0.276 484 V C 0.187 176.268 176.094 -0.021 0.000 1.028 484 V CA -0.383 61.947 62.300 0.051 0.000 0.860 484 V CB 1.186 32.919 31.823 -0.150 0.000 0.990 484 V HN 0.725 nan 8.190 nan 0.000 0.453 485 T N 4.817 119.334 114.554 -0.061 0.000 2.771 485 T HA 0.529 4.879 4.350 0.000 0.000 0.281 485 T C -0.269 174.287 174.700 -0.240 0.000 0.982 485 T CA -0.332 61.694 62.100 -0.123 0.000 0.978 485 T CB 1.590 70.385 68.868 -0.123 0.000 0.930 485 T HN 0.329 nan 8.240 nan 0.000 0.447 486 V N 4.356 124.122 119.914 -0.248 0.000 2.370 486 V HA 0.360 4.480 4.120 0.000 0.000 0.283 486 V C -0.092 175.744 176.094 -0.430 0.000 1.023 486 V CA -0.739 61.380 62.300 -0.301 0.000 0.857 486 V CB 1.615 33.310 31.823 -0.214 0.000 0.985 486 V HN 0.694 nan 8.190 nan 0.000 0.443 487 V N 6.278 125.864 119.914 -0.548 0.000 2.333 487 V HA 0.273 4.393 4.120 0.000 0.000 0.274 487 V C 0.124 175.897 176.094 -0.535 0.000 1.028 487 V CA -0.598 61.271 62.300 -0.719 0.000 0.851 487 V CB 1.702 32.853 31.823 -1.121 0.000 1.000 487 V HN 0.733 nan 8.190 nan 0.000 0.456 488 V N 2.622 122.234 119.914 -0.503 0.000 2.389 488 V HA 0.551 4.671 4.120 0.000 0.000 0.264 488 V C -0.047 175.867 176.094 -0.299 0.000 1.049 488 V CA -0.328 61.750 62.300 -0.369 0.000 0.932 488 V CB 1.004 32.629 31.823 -0.331 0.000 1.011 488 V HN 0.763 nan 8.190 nan 0.000 0.475 489 N N 4.814 123.383 118.700 -0.217 0.000 2.417 489 N HA 0.427 5.167 4.740 0.000 0.000 0.274 489 N C 0.161 175.648 175.510 -0.039 0.000 0.987 489 N CA -0.447 52.544 53.050 -0.097 0.000 0.912 489 N CB 1.640 40.110 38.487 -0.028 0.000 1.177 489 N HN 0.878 nan 8.380 nan 0.000 0.490 490 N N 2.251 120.979 118.700 0.048 0.000 2.194 490 N HA 0.071 4.812 4.740 0.000 0.000 0.231 490 N C -1.040 174.551 175.510 0.135 0.000 1.247 490 N CA -0.151 52.931 53.050 0.052 0.000 0.884 490 N CB 0.081 38.577 38.487 0.014 0.000 1.146 490 N HN 0.506 nan 8.380 nan 0.000 0.516 491 D N 0.059 120.583 120.400 0.207 0.000 2.837 491 D HA -0.131 4.509 4.640 0.000 0.000 0.230 491 D C -0.921 175.567 176.300 0.314 0.000 1.152 491 D CA 1.263 55.435 54.000 0.287 0.000 0.736 491 D CB -1.598 39.305 40.800 0.173 0.000 1.084 491 D HN 0.460 nan 8.370 nan 0.000 0.429 492 T N 0.155 114.913 114.554 0.340 0.000 2.932 492 T HA 0.199 4.549 4.350 0.000 0.000 0.318 492 T C -0.109 174.752 174.700 0.268 0.000 1.265 492 T CA -0.818 61.362 62.100 0.134 0.000 1.036 492 T CB 1.507 70.462 68.868 0.144 0.000 1.209 492 T HN -0.169 nan 8.240 nan 0.000 0.484 493 N N 1.927 120.673 118.700 0.078 0.000 2.605 493 N HA 0.177 4.917 4.740 0.000 0.000 0.282 493 N C 1.497 177.121 175.510 0.191 0.000 1.206 493 N CA 0.009 53.195 53.050 0.226 0.000 1.074 493 N CB 0.600 39.180 38.487 0.156 0.000 1.434 493 N HN 0.893 nan 8.380 nan 0.000 0.506 494 G N 1.119 110.095 108.800 0.293 0.000 2.440 494 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 494 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 494 G C 1.469 176.411 174.900 0.069 0.000 1.154 494 G CA 0.331 45.617 45.100 0.308 0.000 0.767 494 G HN 0.484 nan 8.290 nan 0.000 0.552 495 L N 0.659 121.902 121.223 0.033 0.000 2.083 495 L HA -0.021 4.319 4.340 0.000 0.000 0.209 495 L C 2.444 179.268 176.870 -0.077 0.000 1.083 495 L CA 1.298 56.063 54.840 -0.124 0.000 0.752 495 L CB -0.173 41.929 42.059 0.071 0.000 0.899 495 L HN 0.117 nan 8.230 nan 0.000 0.433 496 I N -0.669 119.919 120.570 0.029 0.000 2.353 496 I HA -0.189 3.981 4.170 0.000 0.000 0.248 496 I C 2.452 178.554 176.117 -0.024 0.000 1.119 496 I CA 1.055 62.386 61.300 0.050 0.000 1.417 496 I CB -1.459 36.563 38.000 0.037 0.000 1.078 496 I HN 0.447 nan 8.210 nan 0.000 0.421 497 E N 1.009 121.177 120.200 -0.054 0.000 2.077 497 E HA -0.256 4.094 4.350 0.000 0.000 0.193 497 E C 2.278 178.684 176.600 -0.324 0.000 0.989 497 E CA 1.068 57.432 56.400 -0.061 0.000 0.800 497 E CB -0.012 29.761 29.700 0.122 0.000 0.746 497 E HN 0.286 nan 8.360 nan 0.000 0.452 498 L N 0.272 121.008 121.223 -0.813 0.000 1.989 498 L HA -0.232 4.108 4.340 0.000 0.000 0.211 498 L C 2.028 178.456 176.870 -0.738 0.000 1.071 498 L CA 1.877 55.939 54.840 -1.295 0.000 0.749 498 L CB -0.839 40.137 42.059 -1.805 0.000 0.890 498 L HN 0.202 nan 8.230 nan 0.000 0.431 499 Y N 0.174 120.205 120.300 -0.449 0.000 2.193 499 Y HA -0.305 4.245 4.550 0.000 0.000 0.285 499 Y C 2.733 178.530 175.900 -0.171 0.000 1.166 499 Y CA 1.985 59.919 58.100 -0.278 0.000 1.181 499 Y CB -0.616 37.727 38.460 -0.195 0.000 0.976 499 Y HN 0.396 nan 8.280 nan 0.000 0.520 500 Q N -0.217 119.596 119.800 0.023 0.000 2.061 500 Q HA -0.227 4.113 4.340 0.000 0.000 0.204 500 Q C 2.022 178.052 176.000 0.049 0.000 0.984 500 Q CA 1.546 57.403 55.803 0.091 0.000 0.846 500 Q CB -0.303 28.466 28.738 0.051 0.000 0.902 500 Q HN 0.551 nan 8.270 nan 0.000 0.421 501 N N 0.523 119.180 118.700 -0.072 0.000 2.142 501 N HA -0.111 4.629 4.740 0.000 0.000 0.186 501 N C 1.921 177.307 175.510 -0.207 0.000 1.023 501 N CA 1.012 54.011 53.050 -0.085 0.000 0.852 501 N CB -0.117 38.337 38.487 -0.056 0.000 0.998 501 N HN 0.255 nan 8.380 nan 0.000 0.424 502 I N 0.728 121.142 120.570 -0.259 0.000 2.163 502 I HA -0.195 3.975 4.170 0.000 0.000 0.243 502 I C 2.459 178.365 176.117 -0.352 0.000 1.085 502 I CA 1.432 62.563 61.300 -0.282 0.000 1.347 502 I CB -0.510 37.318 38.000 -0.286 0.000 1.044 502 I HN 0.153 nan 8.210 nan 0.000 0.408 503 G N -0.904 107.721 108.800 -0.293 0.000 2.411 503 G HA2 -0.110 3.850 3.960 0.000 0.000 0.213 503 G HA3 -0.110 3.850 3.960 0.000 0.000 0.213 503 G C 1.395 175.905 174.900 -0.650 0.000 1.166 503 G CA 0.362 45.189 45.100 -0.454 0.000 0.802 503 G HN 0.423 nan 8.290 nan 0.000 0.533 504 H N -1.372 117.573 119.070 -0.208 0.000 3.170 504 H HA 0.151 4.707 4.556 0.000 0.000 0.264 504 H C 0.413 175.733 175.328 -0.014 0.000 1.113 504 H CA 0.207 56.200 56.048 -0.093 0.000 1.194 504 H CB 0.644 30.383 29.762 -0.037 0.000 1.553 504 H HN 0.405 nan 8.280 nan 0.000 0.538 505 H N 0.409 119.531 119.070 0.088 0.000 3.047 505 H HA -0.152 4.404 4.556 0.000 0.000 0.263 505 H C 0.388 175.765 175.328 0.082 0.000 1.168 505 H CA 1.328 57.417 56.048 0.068 0.000 1.152 505 H CB -1.159 28.633 29.762 0.049 0.000 1.278 505 H HN 0.564 nan 8.280 nan 0.000 0.339 506 R N -1.244 119.352 120.500 0.159 0.000 2.716 506 R HA 0.670 5.010 4.340 0.000 0.000 0.271 506 R C -1.104 175.257 176.300 0.102 0.000 1.028 506 R CA -0.760 55.416 56.100 0.127 0.000 0.883 506 R CB 1.262 31.631 30.300 0.115 0.000 1.250 506 R HN -0.039 nan 8.270 nan 0.000 0.465 507 S N 0.172 115.931 115.700 0.097 0.000 2.646 507 S HA 0.306 4.776 4.470 0.000 0.000 0.276 507 S C -0.836 173.834 174.600 0.117 0.000 1.222 507 S CA -0.565 57.689 58.200 0.089 0.000 1.014 507 S CB 0.611 63.862 63.200 0.085 0.000 0.991 507 S HN 0.561 nan 8.310 nan 0.000 0.533 508 H N 1.337 120.392 119.070 -0.025 0.000 2.991 508 H HA 0.193 4.749 4.556 0.000 0.000 0.304 508 H C -0.533 174.773 175.328 -0.036 0.000 1.040 508 H CA -0.500 55.524 56.048 -0.040 0.000 1.410 508 H CB 0.652 30.369 29.762 -0.075 0.000 1.529 508 H HN 0.551 nan 8.280 nan 0.000 0.509 509 D N 4.740 124.967 120.400 -0.289 0.000 2.123 509 D HA -0.108 4.532 4.640 0.000 0.000 0.196 509 D C -0.894 175.239 176.300 -0.278 0.000 0.992 509 D CA 0.671 54.535 54.000 -0.226 0.000 0.833 509 D CB -0.863 39.849 40.800 -0.148 0.000 0.954 509 D HN 0.535 nan 8.370 nan 0.000 0.455 510 P HA -0.090 nan 4.420 nan 0.000 0.220 510 P C 0.766 177.976 177.300 -0.151 0.000 1.144 510 P CA 1.500 64.442 63.100 -0.263 0.000 0.800 510 P CB 0.015 31.539 31.700 -0.294 0.000 0.772 511 A N -1.353 121.385 122.820 -0.138 0.000 2.195 511 A HA 0.141 4.461 4.320 0.000 0.000 0.210 511 A C 1.678 179.210 177.584 -0.087 0.000 1.165 511 A CA 1.067 53.080 52.037 -0.041 0.000 0.806 511 A CB -0.417 18.615 19.000 0.053 0.000 0.847 511 A HN 0.200 nan 8.150 nan 0.000 0.482 512 V N -4.416 115.402 119.914 -0.161 0.000 3.359 512 V HA 0.359 4.479 4.120 0.000 0.000 0.270 512 V C 0.219 176.046 176.094 -0.446 0.000 1.583 512 V CA 0.224 62.388 62.300 -0.227 0.000 1.019 512 V CB -0.466 31.297 31.823 -0.101 0.000 0.831 512 V HN 0.220 nan 8.190 nan 0.000 0.426 513 K N 0.898 121.070 120.400 -0.380 0.000 2.185 513 K HA 0.602 4.922 4.320 0.000 0.000 0.269 513 K C -1.339 175.050 176.600 -0.352 0.000 0.987 513 K CA -0.643 55.438 56.287 -0.343 0.000 0.865 513 K CB 1.230 33.648 32.500 -0.138 0.000 1.090 513 K HN 0.228 nan 8.250 nan 0.000 0.450 514 F N 0.715 120.706 119.950 0.068 0.000 2.457 514 F HA 0.464 4.991 4.527 0.000 0.000 0.330 514 F C 1.230 177.053 175.800 0.039 0.000 1.069 514 F CA -0.582 57.455 58.000 0.063 0.000 1.009 514 F CB 0.948 40.005 39.000 0.094 0.000 1.276 514 F HN 0.625 nan 8.300 nan 0.000 0.492 515 G N -0.664 108.285 108.800 0.247 0.000 2.588 515 G HA2 0.465 4.425 3.960 0.000 0.000 0.281 515 G HA3 0.465 4.425 3.960 0.000 0.000 0.281 515 G C -0.189 174.768 174.900 0.095 0.000 1.236 515 G CA -0.541 44.633 45.100 0.123 0.000 0.969 515 G HN 0.879 nan 8.290 nan 0.000 0.504 516 G N -1.660 107.156 108.800 0.026 0.000 2.403 516 G HA2 0.452 4.412 3.960 0.000 0.000 0.259 516 G HA3 0.452 4.412 3.960 0.000 0.000 0.259 516 G C -0.718 174.103 174.900 -0.132 0.000 1.244 516 G CA -0.140 44.946 45.100 -0.024 0.000 0.849 516 G HN 0.577 nan 8.290 nan 0.000 0.532 517 V N 2.772 122.526 119.914 -0.266 0.000 2.495 517 V HA 0.220 4.340 4.120 0.000 0.000 0.298 517 V C -0.579 175.141 176.094 -0.622 0.000 1.031 517 V CA -0.891 61.055 62.300 -0.589 0.000 0.871 517 V CB 1.922 33.063 31.823 -1.137 0.000 0.988 517 V HN 0.761 nan 8.190 nan 0.000 0.432 518 D N 3.492 123.614 120.400 -0.463 0.000 2.422 518 D HA 0.227 4.867 4.640 0.000 0.000 0.227 518 D C 0.578 176.669 176.300 -0.348 0.000 1.190 518 D CA -0.093 53.729 54.000 -0.297 0.000 0.905 518 D CB 0.617 41.313 40.800 -0.173 0.000 1.034 518 D HN 0.382 nan 8.370 nan 0.000 0.507 519 F N 2.072 121.931 119.950 -0.152 0.000 2.325 519 F HA -0.134 4.394 4.527 0.000 0.000 0.299 519 F C 2.359 178.074 175.800 -0.142 0.000 1.090 519 F CA 0.229 58.136 58.000 -0.156 0.000 1.392 519 F CB -0.206 38.661 39.000 -0.220 0.000 1.053 519 F HN 0.270 nan 8.300 nan 0.000 0.521 520 V N 0.073 119.986 119.914 -0.001 0.000 2.261 520 V HA -0.315 3.805 4.120 0.000 0.000 0.246 520 V C 2.608 178.668 176.094 -0.056 0.000 1.047 520 V CA 1.929 64.190 62.300 -0.064 0.000 1.015 520 V CB -1.383 30.393 31.823 -0.077 0.000 0.642 520 V HN 0.347 nan 8.190 nan 0.000 0.446 521 A N -0.592 122.191 122.820 -0.062 0.000 1.969 521 A HA -0.157 4.163 4.320 0.000 0.000 0.218 521 A C 2.155 179.712 177.584 -0.044 0.000 1.169 521 A CA 1.856 53.859 52.037 -0.056 0.000 0.635 521 A CB -0.495 18.463 19.000 -0.070 0.000 0.810 521 A HN 0.453 nan 8.150 nan 0.000 0.445 522 L N -0.483 120.710 121.223 -0.049 0.000 2.056 522 L HA -0.026 4.314 4.340 0.000 0.000 0.207 522 L C 2.751 179.647 176.870 0.045 0.000 1.078 522 L CA 1.935 56.770 54.840 -0.009 0.000 0.749 522 L CB -0.539 41.511 42.059 -0.015 0.000 0.901 522 L HN 0.332 nan 8.230 nan 0.000 0.433 523 A N -0.843 122.007 122.820 0.050 0.000 1.902 523 A HA -0.211 4.109 4.320 0.000 0.000 0.217 523 A C 2.147 179.741 177.584 0.016 0.000 1.181 523 A CA 1.768 53.831 52.037 0.044 0.000 0.623 523 A CB -0.610 18.383 19.000 -0.010 0.000 0.818 523 A HN 0.579 nan 8.150 nan 0.000 0.443 524 E N -0.192 120.004 120.200 -0.006 0.000 2.110 524 E HA -0.124 4.226 4.350 0.000 0.000 0.193 524 E C 2.246 178.850 176.600 0.007 0.000 0.988 524 E CA 0.874 57.272 56.400 -0.002 0.000 0.804 524 E CB -0.305 29.388 29.700 -0.012 0.000 0.745 524 E HN 0.618 nan 8.360 nan 0.000 0.458 525 A N 1.756 124.579 122.820 0.005 0.000 2.024 525 A HA -0.164 4.156 4.320 0.000 0.000 0.220 525 A C 1.766 179.361 177.584 0.017 0.000 1.164 525 A CA 1.128 53.170 52.037 0.008 0.000 0.643 525 A CB -0.277 18.725 19.000 0.003 0.000 0.806 525 A HN 0.156 nan 8.150 nan 0.000 0.451 526 N N -0.956 117.760 118.700 0.026 0.000 2.336 526 N HA 0.114 4.854 4.740 0.000 0.000 0.189 526 N C 0.970 176.499 175.510 0.031 0.000 1.113 526 N CA 0.862 53.931 53.050 0.032 0.000 0.858 526 N CB 0.366 38.880 38.487 0.045 0.000 0.970 526 N HN 0.617 nan 8.380 nan 0.000 0.471 527 G N 0.661 109.478 108.800 0.028 0.000 2.137 527 G HA2 -0.233 3.727 3.960 0.000 0.000 0.237 527 G HA3 -0.233 3.727 3.960 0.000 0.000 0.237 527 G C -0.230 174.693 174.900 0.038 0.000 1.002 527 G CA -0.102 45.017 45.100 0.030 0.000 0.702 527 G HN 0.154 nan 8.290 nan 0.000 0.515 528 V N 1.296 121.231 119.914 0.036 0.000 2.384 528 V HA 0.380 4.500 4.120 0.000 0.000 0.287 528 V C 0.150 176.256 176.094 0.020 0.000 1.020 528 V CA -1.227 61.097 62.300 0.040 0.000 0.850 528 V CB 1.616 33.461 31.823 0.037 0.000 0.987 528 V HN 0.268 nan 8.190 nan 0.000 0.436 529 D N 3.628 124.071 120.400 0.071 0.000 2.472 529 D HA 0.517 5.157 4.640 0.000 0.000 0.237 529 D C 0.180 176.385 176.300 -0.159 0.000 1.141 529 D CA 0.663 54.718 54.000 0.091 0.000 0.875 529 D CB 1.587 42.562 40.800 0.293 0.000 1.192 529 D HN 0.827 nan 8.370 nan 0.000 0.450 530 A N 1.120 123.785 122.820 -0.258 0.000 2.610 530 A HA 0.707 5.027 4.320 0.000 0.000 0.291 530 A C -0.620 176.750 177.584 -0.358 0.000 1.086 530 A CA -0.580 51.120 52.037 -0.561 0.000 0.677 530 A CB 2.387 21.195 19.000 -0.319 0.000 1.278 530 A HN 0.420 nan 8.150 nan 0.000 0.414 531 T N -0.564 113.761 114.554 -0.383 0.000 2.840 531 T HA 0.566 4.916 4.350 0.000 0.000 0.317 531 T C -1.253 173.364 174.700 -0.139 0.000 1.401 531 T CA -0.512 61.500 62.100 -0.146 0.000 1.028 531 T CB 1.370 70.256 68.868 0.030 0.000 1.317 531 T HN 0.872 nan 8.240 nan 0.000 0.495 532 R N 1.549 122.002 120.500 -0.078 0.000 2.368 532 R HA 0.797 5.137 4.340 0.000 0.000 0.302 532 R C -0.977 175.290 176.300 -0.056 0.000 1.002 532 R CA -0.412 55.644 56.100 -0.074 0.000 0.929 532 R CB 0.992 31.259 30.300 -0.056 0.000 1.073 532 R HN 0.686 nan 8.270 nan 0.000 0.464 533 A N 2.137 124.917 122.820 -0.068 0.000 2.356 533 A HA 0.375 4.695 4.320 0.000 0.000 0.310 533 A C 0.170 177.716 177.584 -0.062 0.000 1.075 533 A CA -0.620 51.384 52.037 -0.054 0.000 0.746 533 A CB 1.631 20.600 19.000 -0.052 0.000 1.221 533 A HN 0.878 nan 8.150 nan 0.000 0.443 534 T N -1.664 112.861 114.554 -0.048 0.000 3.040 534 T HA 0.299 4.649 4.350 0.000 0.000 0.266 534 T C 0.191 174.867 174.700 -0.040 0.000 1.005 534 T CA 0.387 62.459 62.100 -0.047 0.000 0.906 534 T CB -0.569 68.277 68.868 -0.037 0.000 1.082 534 T HN 0.930 nan 8.240 nan 0.000 0.531 535 N N -0.247 118.431 118.700 -0.037 0.000 3.020 535 N HA 0.401 5.141 4.740 0.000 0.000 0.248 535 N C 0.379 175.871 175.510 -0.029 0.000 1.480 535 N CA -1.124 51.909 53.050 -0.029 0.000 0.874 535 N CB 0.944 39.418 38.487 -0.022 0.000 1.433 535 N HN -0.178 nan 8.380 nan 0.000 0.530 536 R N -0.057 120.429 120.500 -0.023 0.000 2.094 536 R HA -0.181 4.159 4.340 0.000 0.000 0.239 536 R C 1.416 177.707 176.300 -0.016 0.000 1.137 536 R CA 2.062 58.151 56.100 -0.019 0.000 0.943 536 R CB -0.339 29.954 30.300 -0.012 0.000 0.850 536 R HN 0.793 nan 8.270 nan 0.000 0.433 537 E N 0.950 121.141 120.200 -0.015 0.000 2.058 537 E HA -0.234 4.116 4.350 0.000 0.000 0.194 537 E C 1.759 178.352 176.600 -0.012 0.000 0.997 537 E CA 1.534 57.927 56.400 -0.012 0.000 0.801 537 E CB 0.097 29.789 29.700 -0.013 0.000 0.746 537 E HN 0.393 nan 8.360 nan 0.000 0.450 538 E N 0.140 120.331 120.200 -0.015 0.000 2.110 538 E HA -0.199 4.151 4.350 0.000 0.000 0.193 538 E C 2.158 178.750 176.600 -0.013 0.000 0.988 538 E CA 0.790 57.182 56.400 -0.013 0.000 0.804 538 E CB -0.083 29.607 29.700 -0.017 0.000 0.745 538 E HN 0.214 nan 8.360 nan 0.000 0.458 539 L N 0.897 122.106 121.223 -0.024 0.000 2.056 539 L HA -0.113 4.227 4.340 0.000 0.000 0.207 539 L C 1.999 178.855 176.870 -0.023 0.000 1.078 539 L CA 1.421 56.242 54.840 -0.031 0.000 0.749 539 L CB -0.271 41.761 42.059 -0.046 0.000 0.901 539 L HN 0.094 nan 8.230 nan 0.000 0.433 540 L N -0.598 120.616 121.223 -0.014 0.000 2.046 540 L HA -0.180 4.160 4.340 0.000 0.000 0.208 540 L C 2.664 179.529 176.870 -0.009 0.000 1.077 540 L CA 1.219 56.056 54.840 -0.006 0.000 0.747 540 L CB -0.908 41.152 42.059 0.002 0.000 0.896 540 L HN 0.371 nan 8.230 nan 0.000 0.432 541 A N -0.072 122.743 122.820 -0.009 0.000 1.902 541 A HA -0.165 4.155 4.320 0.000 0.000 0.217 541 A C 2.520 180.095 177.584 -0.015 0.000 1.181 541 A CA 1.728 53.758 52.037 -0.013 0.000 0.623 541 A CB -0.694 18.301 19.000 -0.008 0.000 0.818 541 A HN 0.404 nan 8.150 nan 0.000 0.443 542 A N -0.364 122.466 122.820 0.016 0.000 1.898 542 A HA -0.006 4.314 4.320 0.000 0.000 0.216 542 A C 2.173 179.782 177.584 0.043 0.000 1.181 542 A CA 1.448 53.541 52.037 0.093 0.000 0.620 542 A CB -0.579 18.498 19.000 0.129 0.000 0.819 542 A HN 0.460 nan 8.150 nan 0.000 0.442 543 L N -1.110 120.095 121.223 -0.030 0.000 2.046 543 L HA -0.181 4.159 4.340 0.000 0.000 0.208 543 L C 2.892 179.705 176.870 -0.096 0.000 1.077 543 L CA 1.494 56.262 54.840 -0.120 0.000 0.747 543 L CB -0.389 41.585 42.059 -0.141 0.000 0.896 543 L HN 0.340 nan 8.230 nan 0.000 0.432 544 R N -0.253 120.216 120.500 -0.052 0.000 2.073 544 R HA -0.156 4.184 4.340 0.000 0.000 0.229 544 R C 2.315 178.556 176.300 -0.098 0.000 1.120 544 R CA 1.085 57.164 56.100 -0.035 0.000 0.967 544 R CB -0.228 30.063 30.300 -0.016 0.000 0.862 544 R HN 0.247 nan 8.270 nan 0.000 0.436 545 K N 0.442 120.744 120.400 -0.164 0.000 2.009 545 K HA -0.149 4.171 4.320 0.000 0.000 0.210 545 K C 2.102 178.428 176.600 -0.456 0.000 1.049 545 K CA 1.838 57.945 56.287 -0.300 0.000 0.929 545 K CB -0.401 31.879 32.500 -0.366 0.000 0.714 545 K HN 0.248 nan 8.250 nan 0.000 0.440 546 G N 0.466 108.935 108.800 -0.553 0.000 2.446 546 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 546 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 546 G C 1.610 176.432 174.900 -0.129 0.000 1.168 546 G CA 1.150 45.999 45.100 -0.419 0.000 0.771 546 G HN 0.484 nan 8.290 nan 0.000 0.551 547 A N 0.529 123.324 122.820 -0.043 0.000 1.978 547 A HA -0.044 4.276 4.320 0.000 0.000 0.220 547 A C 2.075 179.685 177.584 0.042 0.000 1.170 547 A CA 1.931 54.028 52.037 0.100 0.000 0.636 547 A CB -0.258 18.856 19.000 0.191 0.000 0.810 547 A HN 0.503 nan 8.150 nan 0.000 0.448 548 E N -1.340 118.842 120.200 -0.029 0.000 2.481 548 E HA 0.144 4.494 4.350 0.000 0.000 0.198 548 E C 1.305 177.874 176.600 -0.052 0.000 1.027 548 E CA -0.291 56.091 56.400 -0.030 0.000 0.900 548 E CB 0.158 29.836 29.700 -0.036 0.000 0.993 548 E HN 0.437 nan 8.360 nan 0.000 0.482 549 L N 0.439 121.609 121.223 -0.088 0.000 2.201 549 L HA 0.011 4.352 4.340 0.000 0.000 0.212 549 L C 1.576 178.428 176.870 -0.030 0.000 1.105 549 L CA 1.989 56.772 54.840 -0.094 0.000 0.775 549 L CB -0.369 41.591 42.059 -0.164 0.000 0.913 549 L HN 0.294 nan 8.230 nan 0.000 0.440 550 G N -0.582 108.216 108.800 -0.003 0.000 2.189 550 G HA2 -0.323 3.637 3.960 0.000 0.000 0.267 550 G HA3 -0.323 3.637 3.960 0.000 0.000 0.267 550 G C 0.621 175.538 174.900 0.028 0.000 0.975 550 G CA 0.671 45.781 45.100 0.015 0.000 0.644 550 G HN 0.454 nan 8.290 nan 0.000 0.537 551 R N -0.015 120.507 120.500 0.038 0.000 2.836 551 R HA 0.517 4.857 4.340 0.000 0.000 0.269 551 R C -2.651 173.707 176.300 0.096 0.000 1.010 551 R CA -1.967 54.170 56.100 0.061 0.000 0.930 551 R CB 2.111 32.450 30.300 0.064 0.000 1.218 551 R HN 0.045 nan 8.270 nan 0.000 0.473 552 P HA 0.070 nan 4.420 nan 0.000 0.269 552 P C -1.098 176.336 177.300 0.224 0.000 1.215 552 P CA 0.244 63.426 63.100 0.136 0.000 0.780 552 P CB 0.541 32.301 31.700 0.100 0.000 0.898 553 F N 1.767 121.714 119.950 -0.005 0.000 2.591 553 F HA 0.565 5.092 4.527 0.000 0.000 0.309 553 F C -1.511 174.256 175.800 -0.054 0.000 1.098 553 F CA -1.114 56.868 58.000 -0.030 0.000 0.937 553 F CB 1.647 40.619 39.000 -0.047 0.000 1.250 553 F HN 0.147 nan 8.300 nan 0.000 0.447 554 L N 6.245 127.094 121.223 -0.623 0.000 2.365 554 L HA 0.741 5.081 4.340 0.000 0.000 0.273 554 L C -1.549 174.925 176.870 -0.660 0.000 1.000 554 L CA -0.467 54.077 54.840 -0.493 0.000 0.819 554 L CB 1.631 43.505 42.059 -0.309 0.000 1.284 554 L HN 0.568 nan 8.230 nan 0.000 0.418 555 I N 3.996 124.306 120.570 -0.433 0.000 2.418 555 I HA 0.367 4.537 4.170 0.000 0.000 0.287 555 I C -0.536 175.401 176.117 -0.299 0.000 1.008 555 I CA -0.433 60.668 61.300 -0.332 0.000 1.104 555 I CB 1.863 39.739 38.000 -0.206 0.000 1.264 555 I HN 0.581 nan 8.210 nan 0.000 0.438 556 E N 6.187 126.242 120.200 -0.242 0.000 2.174 556 E HA 0.520 4.870 4.350 0.000 0.000 0.282 556 E C -1.493 175.003 176.600 -0.173 0.000 0.992 556 E CA -0.567 55.703 56.400 -0.217 0.000 0.803 556 E CB 1.616 31.250 29.700 -0.110 0.000 1.090 556 E HN 0.380 nan 8.360 nan 0.000 0.396 557 V N 7.216 127.011 119.914 -0.198 0.000 2.407 557 V HA 0.335 4.455 4.120 0.000 0.000 0.291 557 V C -2.238 173.761 176.094 -0.159 0.000 1.018 557 V CA -1.920 60.281 62.300 -0.165 0.000 0.842 557 V CB 1.423 33.139 31.823 -0.178 0.000 0.996 557 V HN 0.702 nan 8.190 nan 0.000 0.426 558 P HA 0.219 nan 4.420 nan 0.000 0.271 558 P C -0.499 176.703 177.300 -0.163 0.000 1.226 558 P CA 0.333 63.364 63.100 -0.115 0.000 0.765 558 P CB 1.434 33.086 31.700 -0.079 0.000 0.835 559 V N 0.917 120.705 119.914 -0.210 0.000 3.158 559 V HA 0.761 4.881 4.120 0.000 0.000 0.311 559 V C -0.814 175.058 176.094 -0.371 0.000 1.181 559 V CA -0.969 61.140 62.300 -0.319 0.000 1.054 559 V CB 2.186 33.757 31.823 -0.420 0.000 1.085 559 V HN 0.446 nan 8.190 nan 0.000 0.446 560 N N -1.258 117.139 118.700 -0.505 0.000 2.591 560 N HA 0.713 5.453 4.740 0.000 0.000 0.263 560 N C -2.116 173.013 175.510 -0.636 0.000 1.308 560 N CA -0.459 52.293 53.050 -0.496 0.000 0.837 560 N CB 2.119 40.446 38.487 -0.268 0.000 1.548 560 N HN 0.798 nan 8.380 nan 0.000 0.493 561 Y N -0.400 119.802 120.300 -0.163 0.000 2.509 561 Y HA 0.461 5.011 4.550 0.000 0.000 0.341 561 Y C -0.612 175.101 175.900 -0.311 0.000 1.038 561 Y CA -0.786 57.217 58.100 -0.162 0.000 1.089 561 Y CB 1.533 39.928 38.460 -0.108 0.000 1.241 561 Y HN 0.281 nan 8.280 nan 0.000 0.468 562 D N 2.287 122.712 120.400 0.041 0.000 2.453 562 D HA 0.281 4.921 4.640 0.000 0.000 0.238 562 D C -1.103 175.304 176.300 0.178 0.000 1.088 562 D CA -0.372 53.631 54.000 0.005 0.000 0.854 562 D CB 0.542 41.394 40.800 0.086 0.000 1.076 562 D HN 0.142 nan 8.370 nan 0.000 0.533 563 F N 0.962 121.070 119.950 0.264 0.000 2.429 563 F HA 0.224 4.751 4.527 0.000 0.000 0.348 563 F C 1.337 177.291 175.800 0.256 0.000 1.109 563 F CA -0.399 57.753 58.000 0.254 0.000 1.232 563 F CB 0.654 39.703 39.000 0.082 0.000 1.157 563 F HN 0.053 nan 8.300 nan 0.000 0.564 564 Q N 4.476 124.604 119.800 0.546 0.000 2.644 564 Q HA 0.228 4.568 4.340 0.000 0.000 0.245 564 Q C -1.877 174.360 176.000 0.396 0.000 1.064 564 Q CA -1.651 54.366 55.803 0.357 0.000 0.860 564 Q CB 1.160 30.032 28.738 0.224 0.000 1.145 564 Q HN 0.342 nan 8.270 nan 0.000 0.515 565 P HA -0.197 nan 4.420 nan 0.000 0.217 565 P C 1.297 178.738 177.300 0.236 0.000 1.148 565 P CA 1.267 64.511 63.100 0.240 0.000 0.828 565 P CB 0.222 31.981 31.700 0.098 0.000 0.783 566 G N -0.711 108.195 108.800 0.175 0.000 2.559 566 G HA2 -0.113 3.848 3.960 0.000 0.000 0.216 566 G HA3 -0.113 3.848 3.960 0.000 0.000 0.216 566 G C 1.463 176.387 174.900 0.040 0.000 1.126 566 G CA 0.639 45.803 45.100 0.107 0.000 0.778 566 G HN 0.411 nan 8.290 nan 0.000 0.543 567 G N -0.407 108.384 108.800 -0.016 0.000 3.088 567 G HA2 0.257 4.217 3.960 0.000 0.000 0.212 567 G HA3 0.257 4.217 3.960 0.000 0.000 0.212 567 G C 0.384 174.990 174.900 -0.490 0.000 1.173 567 G CA -0.277 44.657 45.100 -0.277 0.000 0.779 567 G HN 0.324 nan 8.290 nan 0.000 0.540 568 F N 0.353 120.268 119.950 -0.059 0.000 2.791 568 F HA 0.304 4.831 4.527 0.000 0.000 0.308 568 F C 2.067 177.780 175.800 -0.144 0.000 1.138 568 F CA -0.582 57.341 58.000 -0.128 0.000 1.294 568 F CB 0.789 39.667 39.000 -0.204 0.000 0.975 568 F HN 0.061 nan 8.300 nan 0.000 0.512 569 G N 0.432 109.234 108.800 0.003 0.000 2.485 569 G HA2 -0.257 3.703 3.960 0.000 0.000 0.221 569 G HA3 -0.257 3.703 3.960 0.000 0.000 0.221 569 G C 1.868 176.742 174.900 -0.043 0.000 1.115 569 G CA 0.960 46.047 45.100 -0.022 0.000 0.751 569 G HN 0.433 nan 8.290 nan 0.000 0.567 570 A N 0.293 123.080 122.820 -0.055 0.000 2.125 570 A HA 0.183 4.503 4.320 0.000 0.000 0.219 570 A C 2.239 179.764 177.584 -0.098 0.000 1.156 570 A CA 0.755 52.750 52.037 -0.070 0.000 0.671 570 A CB -0.230 18.735 19.000 -0.059 0.000 0.794 570 A HN 0.395 nan 8.150 nan 0.000 0.459 571 L N 0.592 121.743 121.223 -0.120 0.000 2.478 571 L HA -0.019 4.322 4.340 0.000 0.000 0.223 571 L C 1.518 178.334 176.870 -0.090 0.000 1.140 571 L CA 0.400 55.143 54.840 -0.163 0.000 0.842 571 L CB -0.454 41.460 42.059 -0.241 0.000 0.953 571 L HN 0.525 nan 8.230 nan 0.000 0.452 572 S N 0.279 115.939 115.700 -0.068 0.000 2.562 572 S HA 0.384 4.854 4.470 0.000 0.000 0.281 572 S C -0.238 174.330 174.600 -0.053 0.000 1.333 572 S CA -0.415 57.754 58.200 -0.052 0.000 1.052 572 S CB 0.953 64.125 63.200 -0.046 0.000 0.884 572 S HN 0.125 nan 8.310 nan 0.000 0.506 573 I N 0.000 120.544 120.570 -0.043 0.000 2.984 573 I HA 0.000 4.170 4.170 0.000 0.000 0.288 573 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 573 I CB 0.000 37.982 38.000 -0.030 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494