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 2iht_1_B DATA FIRST_RESID 11 DATA SEQUENCE KPTAAHALLS RLRDHGVGKV FGVVGREAAS ILFDEVEGID FVLTRHEFTA DATA SEQUENCE GVAADVLARI TGRPQACWAT LGPGXTNLST GIATSVLDRS PVIALAAQSE DATA SEQUENCE SHDIFPNDTH QCLDSVAIVA PXSKYAVELQ RPHEITDLVD SAVNAAXTEP DATA SEQUENCE VGPSFISLPV DLLGSSEGID TXXPNPPANT PAKPVGVVAD GWQKAADQAA DATA SEQUENCE ALLAEAKHPV LVVGAAAIRS GAVPAIRALA ERLNIPVITT YIAKGVLPVG DATA SEQUENCE HELNYGAVTG YXDGILNFPA LQTXFAPVDL VLTVGYDYAE DLRPSXWQKG DATA SEQUENCE IEKKTVRISP TVNPIPRVYR PDVDVVTDVL AFVEHFETAT ASFGAKQRHD DATA SEQUENCE IEPLRARIAE FLADPETYED GXRVHQVIDS XNTVXEEAAE PGEGTIVSDI DATA SEQUENCE GFFRHYGVLF ARADQPFGFL TSAGCSSFGY GIPAAIGAQX 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 0.000 176.556 176.600 -0.073 0.000 0.988 11 K CA 0.000 56.252 56.287 -0.057 0.000 0.838 11 K CB 0.000 32.477 32.500 -0.039 0.000 1.064 12 P HA -0.007 nan 4.420 nan 0.000 0.265 12 P C -0.286 176.986 177.300 -0.046 0.000 1.193 12 P CA -0.051 62.954 63.100 -0.158 0.000 0.765 12 P CB 0.526 32.021 31.700 -0.342 0.000 0.823 13 T N -1.569 112.989 114.554 0.007 0.000 2.889 13 T HA 0.575 4.925 4.350 -0.001 0.000 0.278 13 T C 1.272 176.011 174.700 0.066 0.000 0.995 13 T CA -0.204 61.914 62.100 0.030 0.000 0.966 13 T CB 0.844 69.721 68.868 0.014 0.000 1.237 13 T HN 0.192 nan 8.240 nan 0.000 0.591 14 A N 0.059 122.911 122.820 0.054 0.000 2.024 14 A HA 0.189 4.508 4.320 -0.001 0.000 0.220 14 A C 2.549 180.167 177.584 0.056 0.000 1.164 14 A CA 1.920 53.992 52.037 0.059 0.000 0.643 14 A CB -1.613 17.413 19.000 0.044 0.000 0.806 14 A HN 1.197 nan 8.150 nan 0.000 0.451 15 A N -0.779 122.060 122.820 0.032 0.000 1.877 15 A HA -0.196 4.124 4.320 -0.001 0.000 0.216 15 A C 2.008 179.584 177.584 -0.014 0.000 1.186 15 A CA 2.060 54.084 52.037 -0.021 0.000 0.620 15 A CB -0.909 18.032 19.000 -0.099 0.000 0.822 15 A HN 0.783 nan 8.150 nan 0.000 0.443 16 H N -0.313 118.725 119.070 -0.053 0.000 2.321 16 H HA 0.021 4.576 4.556 -0.001 0.000 0.300 16 H C 2.197 177.524 175.328 -0.002 0.000 1.087 16 H CA 2.031 58.059 56.048 -0.034 0.000 1.319 16 H CB -0.190 29.555 29.762 -0.027 0.000 1.379 16 H HN 0.404 nan 8.280 nan 0.000 0.501 17 A N 0.566 123.473 122.820 0.146 0.000 1.940 17 A HA -0.140 4.180 4.320 -0.001 0.000 0.219 17 A C 2.355 179.962 177.584 0.039 0.000 1.176 17 A CA 1.604 53.701 52.037 0.100 0.000 0.631 17 A CB -0.873 18.194 19.000 0.112 0.000 0.814 17 A HN 0.503 nan 8.150 nan 0.000 0.446 18 L N -0.262 120.986 121.223 0.041 0.000 1.994 18 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 18 L C 2.266 179.165 176.870 0.048 0.000 1.071 18 L CA 1.777 56.654 54.840 0.062 0.000 0.745 18 L CB -0.613 41.509 42.059 0.105 0.000 0.892 18 L HN 0.389 nan 8.230 nan 0.000 0.431 19 L N -1.032 120.185 121.223 -0.012 0.000 2.093 19 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 19 L C 2.450 179.281 176.870 -0.064 0.000 1.085 19 L CA 1.282 56.105 54.840 -0.027 0.000 0.755 19 L CB -0.641 41.368 42.059 -0.084 0.000 0.904 19 L HN 0.262 nan 8.230 nan 0.000 0.435 20 S N -0.468 115.143 115.700 -0.147 0.000 2.368 20 S HA -0.196 4.274 4.470 -0.001 0.000 0.225 20 S C 2.059 176.648 174.600 -0.018 0.000 1.030 20 S CA 1.130 59.257 58.200 -0.121 0.000 0.999 20 S CB -0.248 62.863 63.200 -0.149 0.000 0.844 20 S HN 0.251 nan 8.310 nan 0.000 0.459 21 R N 1.556 122.071 120.500 0.025 0.000 2.092 21 R HA 0.153 4.493 4.340 -0.001 0.000 0.231 21 R C 2.013 178.408 176.300 0.159 0.000 1.119 21 R CA 1.089 57.241 56.100 0.087 0.000 0.970 21 R CB -1.011 29.354 30.300 0.109 0.000 0.864 21 R HN 0.412 nan 8.270 nan 0.000 0.440 22 L N -0.165 121.132 121.223 0.123 0.000 2.012 22 L HA -0.158 4.182 4.340 -0.001 0.000 0.210 22 L C 2.710 179.647 176.870 0.112 0.000 1.073 22 L CA 1.795 56.715 54.840 0.132 0.000 0.748 22 L CB -0.475 41.652 42.059 0.112 0.000 0.891 22 L HN 0.225 nan 8.230 nan 0.000 0.431 23 R N 0.178 120.712 120.500 0.057 0.000 2.081 23 R HA -0.184 4.156 4.340 -0.001 0.000 0.235 23 R C 1.862 178.173 176.300 0.018 0.000 1.131 23 R CA 1.799 57.916 56.100 0.028 0.000 0.960 23 R CB -0.172 30.126 30.300 -0.003 0.000 0.856 23 R HN 0.336 nan 8.270 nan 0.000 0.436 24 D N -0.296 120.102 120.400 -0.003 0.000 2.158 24 D HA -0.176 4.464 4.640 -0.001 0.000 0.197 24 D C 1.235 177.455 176.300 -0.133 0.000 0.995 24 D CA 1.224 55.176 54.000 -0.080 0.000 0.846 24 D CB -0.301 40.419 40.800 -0.132 0.000 0.941 24 D HN 0.419 nan 8.370 nan 0.000 0.456 25 H N -0.857 118.216 119.070 0.006 0.000 2.536 25 H HA 0.253 4.809 4.556 -0.001 0.000 0.276 25 H C 1.369 176.703 175.328 0.010 0.000 1.019 25 H CA 0.743 56.794 56.048 0.006 0.000 1.159 25 H CB 0.381 30.147 29.762 0.006 0.000 1.373 25 H HN 0.215 nan 8.280 nan 0.000 0.584 26 G N 0.812 109.662 108.800 0.083 0.000 2.157 26 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.248 26 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.248 26 G C 0.321 175.253 174.900 0.055 0.000 0.979 26 G CA 0.289 45.422 45.100 0.055 0.000 0.650 26 G HN 0.228 nan 8.290 nan 0.000 0.529 27 V N 0.746 120.701 119.914 0.069 0.000 2.508 27 V HA 0.549 4.668 4.120 -0.001 0.000 0.281 27 V C 1.544 177.654 176.094 0.026 0.000 1.041 27 V CA 1.083 63.415 62.300 0.055 0.000 1.016 27 V CB 1.327 33.193 31.823 0.072 0.000 0.984 27 V HN 0.620 nan 8.190 nan 0.000 0.478 28 G N 4.463 113.265 108.800 0.003 0.000 3.062 28 G HA2 0.192 4.152 3.960 -0.001 0.000 0.228 28 G HA3 0.192 4.152 3.960 -0.001 0.000 0.228 28 G C 0.425 175.276 174.900 -0.082 0.000 1.094 28 G CA -0.114 44.970 45.100 -0.026 0.000 0.782 28 G HN 0.488 nan 8.290 nan 0.000 0.541 29 K N 0.546 120.872 120.400 -0.122 0.000 2.464 29 K HA 0.588 4.907 4.320 -0.001 0.000 0.253 29 K C -1.555 174.862 176.600 -0.306 0.000 0.933 29 K CA -0.622 55.478 56.287 -0.312 0.000 0.801 29 K CB 2.950 35.126 32.500 -0.540 0.000 1.271 29 K HN -0.128 nan 8.250 nan 0.000 0.430 30 V N 3.545 123.203 119.914 -0.427 0.000 2.407 30 V HA 0.415 4.535 4.120 -0.001 0.000 0.291 30 V C -0.739 174.882 176.094 -0.789 0.000 1.018 30 V CA -0.830 61.258 62.300 -0.352 0.000 0.842 30 V CB 0.505 32.261 31.823 -0.111 0.000 0.996 30 V HN 0.517 nan 8.190 nan 0.000 0.426 31 F N 3.208 122.909 119.950 -0.416 0.000 2.394 31 F HA 0.839 5.365 4.527 -0.001 0.000 0.340 31 F C 1.018 176.569 175.800 -0.414 0.000 1.105 31 F CA 0.434 58.141 58.000 -0.487 0.000 1.124 31 F CB 1.713 40.558 39.000 -0.258 0.000 1.145 31 F HN 0.712 nan 8.300 nan 0.000 0.505 32 G N 0.958 109.567 108.800 -0.319 0.000 2.335 32 G HA2 0.450 4.410 3.960 -0.001 0.000 0.291 32 G HA3 0.450 4.410 3.960 -0.001 0.000 0.291 32 G C -2.320 172.765 174.900 0.309 0.000 1.261 32 G CA -0.752 44.420 45.100 0.120 0.000 0.871 32 G HN 0.453 nan 8.290 nan 0.000 0.491 33 V N 0.391 120.563 119.914 0.430 0.000 2.577 33 V HA 0.591 4.711 4.120 -0.001 0.000 0.303 33 V C -0.016 176.308 176.094 0.383 0.000 1.042 33 V CA -0.687 61.816 62.300 0.337 0.000 0.872 33 V CB 1.404 33.332 31.823 0.176 0.000 0.998 33 V HN 0.739 nan 8.190 nan 0.000 0.423 34 V N 3.917 123.947 119.914 0.194 0.000 2.509 34 V HA 0.788 4.908 4.120 -0.001 0.000 0.284 34 V C 0.904 177.090 176.094 0.152 0.000 1.047 34 V CA 0.316 62.708 62.300 0.153 0.000 0.952 34 V CB 1.269 32.986 31.823 -0.177 0.000 0.988 34 V HN 0.964 nan 8.190 nan 0.000 0.469 35 G N 3.254 112.181 108.800 0.212 0.000 2.890 35 G HA2 0.330 4.290 3.960 -0.001 0.000 0.189 35 G HA3 0.330 4.290 3.960 -0.001 0.000 0.189 35 G C 0.802 175.773 174.900 0.118 0.000 1.342 35 G CA -0.229 44.955 45.100 0.139 0.000 1.026 35 G HN 0.752 nan 8.290 nan 0.000 0.579 36 R N 0.039 120.599 120.500 0.100 0.000 2.241 36 R HA -0.039 4.301 4.340 -0.001 0.000 0.224 36 R C 1.713 178.062 176.300 0.082 0.000 1.101 36 R CA 1.869 58.016 56.100 0.079 0.000 0.995 36 R CB -0.314 30.030 30.300 0.074 0.000 0.870 36 R HN 0.554 nan 8.270 nan 0.000 0.463 37 E N 1.657 121.932 120.200 0.125 0.000 2.396 37 E HA -0.173 4.177 4.350 -0.001 0.000 0.200 37 E C 1.583 178.236 176.600 0.088 0.000 1.023 37 E CA 1.216 57.700 56.400 0.141 0.000 0.857 37 E CB -0.128 29.730 29.700 0.264 0.000 0.775 37 E HN 0.503 nan 8.360 nan 0.000 0.525 38 A N 1.683 124.540 122.820 0.060 0.000 2.084 38 A HA -0.038 4.282 4.320 -0.001 0.000 0.221 38 A C 2.473 180.036 177.584 -0.035 0.000 1.161 38 A CA 1.839 53.865 52.037 -0.019 0.000 0.653 38 A CB -0.632 18.358 19.000 -0.017 0.000 0.802 38 A HN 0.448 nan 8.150 nan 0.000 0.457 39 A N -1.087 121.731 122.820 -0.003 0.000 2.019 39 A HA -0.005 4.315 4.320 -0.001 0.000 0.219 39 A C 2.297 179.869 177.584 -0.020 0.000 1.164 39 A CA 1.968 54.001 52.037 -0.007 0.000 0.644 39 A CB -0.394 18.613 19.000 0.011 0.000 0.805 39 A HN 0.444 nan 8.150 nan 0.000 0.449 40 S N -1.920 113.767 115.700 -0.021 0.000 2.497 40 S HA 0.368 4.837 4.470 -0.001 0.000 0.218 40 S C 0.354 174.895 174.600 -0.098 0.000 1.023 40 S CA 0.040 58.221 58.200 -0.032 0.000 0.913 40 S CB 0.123 63.328 63.200 0.008 0.000 0.800 40 S HN 0.494 nan 8.310 nan 0.000 0.505 41 I N 1.103 121.565 120.570 -0.180 0.000 2.512 41 I HA 0.328 4.497 4.170 -0.001 0.000 0.287 41 I C -0.050 175.781 176.117 -0.478 0.000 1.069 41 I CA -0.477 60.574 61.300 -0.415 0.000 1.056 41 I CB 1.310 38.902 38.000 -0.680 0.000 1.229 41 I HN 0.047 nan 8.210 nan 0.000 0.429 42 L N 6.914 127.909 121.223 -0.381 0.000 2.202 42 L HA 0.191 4.530 4.340 -0.001 0.000 0.205 42 L C 0.344 177.123 176.870 -0.152 0.000 1.083 42 L CA 0.834 55.541 54.840 -0.222 0.000 0.790 42 L CB 0.039 42.028 42.059 -0.118 0.000 0.942 42 L HN 0.835 nan 8.230 nan 0.000 0.452 43 F N -0.440 119.378 119.950 -0.220 0.000 2.681 43 F HA -0.225 4.302 4.527 -0.001 0.000 0.299 43 F C 0.866 176.605 175.800 -0.103 0.000 0.676 43 F CA 0.667 58.551 58.000 -0.193 0.000 1.496 43 F CB -1.823 37.016 39.000 -0.269 0.000 1.827 43 F HN 0.357 nan 8.300 nan 0.000 0.328 44 D N -0.637 119.771 120.400 0.014 0.000 2.433 44 D HA 0.133 4.772 4.640 -0.001 0.000 0.211 44 D C 1.307 177.611 176.300 0.007 0.000 1.114 44 D CA 0.384 54.394 54.000 0.017 0.000 0.837 44 D CB -0.012 40.794 40.800 0.008 0.000 0.984 44 D HN 0.308 nan 8.370 nan 0.000 0.505 45 E N -0.026 120.165 120.200 -0.015 0.000 2.204 45 E HA 0.008 4.358 4.350 -0.001 0.000 0.195 45 E C 0.157 176.782 176.600 0.041 0.000 0.990 45 E CA 0.772 57.195 56.400 0.038 0.000 0.821 45 E CB 0.303 30.017 29.700 0.025 0.000 0.750 45 E HN 0.134 nan 8.360 nan 0.000 0.477 46 V N 1.126 121.018 119.914 -0.037 0.000 2.525 46 V HA 0.124 4.244 4.120 -0.001 0.000 0.299 46 V C -0.369 175.713 176.094 -0.021 0.000 1.034 46 V CA -1.008 61.248 62.300 -0.073 0.000 0.863 46 V CB 1.728 33.440 31.823 -0.184 0.000 0.999 46 V HN 0.041 nan 8.190 nan 0.000 0.423 47 E N 3.183 123.381 120.200 -0.002 0.000 2.415 47 E HA 0.362 4.712 4.350 -0.001 0.000 0.263 47 E C 1.206 177.803 176.600 -0.005 0.000 0.995 47 E CA 1.193 57.595 56.400 0.002 0.000 0.915 47 E CB 0.537 30.243 29.700 0.010 0.000 0.951 47 E HN 1.103 nan 8.360 nan 0.000 0.449 48 G N 3.904 112.701 108.800 -0.005 0.000 2.175 48 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.244 48 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.244 48 G C 0.025 174.918 174.900 -0.012 0.000 0.982 48 G CA 0.122 45.217 45.100 -0.008 0.000 0.641 48 G HN 0.586 nan 8.290 nan 0.000 0.527 49 I N 1.428 121.993 120.570 -0.008 0.000 2.447 49 I HA 0.517 4.686 4.170 -0.001 0.000 0.287 49 I C -1.463 174.655 176.117 0.001 0.000 1.023 49 I CA -0.951 60.345 61.300 -0.007 0.000 1.083 49 I CB 1.293 39.300 38.000 0.012 0.000 1.245 49 I HN -0.043 nan 8.210 nan 0.000 0.434 50 D N 6.942 127.314 120.400 -0.047 0.000 2.252 50 D HA 0.270 4.910 4.640 -0.001 0.000 0.245 50 D C -0.995 175.230 176.300 -0.124 0.000 1.009 50 D CA -0.086 53.880 54.000 -0.055 0.000 0.870 50 D CB 2.316 43.060 40.800 -0.093 0.000 1.251 50 D HN 0.268 nan 8.370 nan 0.000 0.460 51 F N 1.327 121.128 119.950 -0.248 0.000 2.410 51 F HA 0.260 4.787 4.527 -0.001 0.000 0.348 51 F C -0.204 175.388 175.800 -0.346 0.000 1.106 51 F CA -0.399 57.352 58.000 -0.416 0.000 1.163 51 F CB 0.890 39.535 39.000 -0.592 0.000 1.129 51 F HN -0.034 nan 8.300 nan 0.000 0.516 52 V N 7.999 127.342 119.914 -0.952 0.000 2.293 52 V HA 0.208 4.327 4.120 -0.001 0.000 0.275 52 V C -0.478 175.302 176.094 -0.523 0.000 1.021 52 V CA -0.818 61.113 62.300 -0.614 0.000 0.815 52 V CB 0.910 32.284 31.823 -0.749 0.000 1.025 52 V HN 0.571 nan 8.190 nan 0.000 0.448 53 L N 6.561 127.708 121.223 -0.125 0.000 2.319 53 L HA 0.596 4.935 4.340 -0.001 0.000 0.280 53 L C 0.735 177.631 176.870 0.044 0.000 1.099 53 L CA 0.892 55.781 54.840 0.083 0.000 0.828 53 L CB 1.234 43.410 42.059 0.196 0.000 1.150 53 L HN 0.855 nan 8.230 nan 0.000 0.442 54 T N 1.838 116.432 114.554 0.067 0.000 2.937 54 T HA 0.526 4.876 4.350 -0.001 0.000 0.283 54 T C 0.964 175.714 174.700 0.084 0.000 1.012 54 T CA -0.801 61.339 62.100 0.066 0.000 0.997 54 T CB 1.261 70.166 68.868 0.061 0.000 1.136 54 T HN 0.514 nan 8.240 nan 0.000 0.551 55 R N -0.227 120.322 120.500 0.082 0.000 2.246 55 R HA 0.235 4.575 4.340 -0.001 0.000 0.199 55 R C 0.488 176.875 176.300 0.145 0.000 0.984 55 R CA 0.501 56.655 56.100 0.091 0.000 1.015 55 R CB -0.720 29.619 30.300 0.065 0.000 0.930 55 R HN 0.793 nan 8.270 nan 0.000 0.475 56 H N -0.539 118.562 119.070 0.052 0.000 3.046 56 H HA 0.154 4.709 4.556 -0.001 0.000 0.363 56 H C -0.220 175.164 175.328 0.094 0.000 1.203 56 H CA -0.252 55.840 56.048 0.075 0.000 1.169 56 H CB 1.850 31.659 29.762 0.078 0.000 1.851 56 H HN -0.225 nan 8.280 nan 0.000 0.546 57 E N 2.679 122.870 120.200 -0.015 0.000 2.204 57 E HA -0.095 4.254 4.350 -0.001 0.000 0.194 57 E C 1.538 178.279 176.600 0.235 0.000 0.989 57 E CA 0.997 57.458 56.400 0.101 0.000 0.824 57 E CB -0.043 29.671 29.700 0.023 0.000 0.756 57 E HN 0.450 nan 8.360 nan 0.000 0.477 58 F N 1.365 121.521 119.950 0.344 0.000 2.126 58 F HA -0.245 4.281 4.527 -0.001 0.000 0.299 58 F C 1.989 177.828 175.800 0.066 0.000 1.096 58 F CA 1.727 59.842 58.000 0.192 0.000 1.255 58 F CB -0.680 38.413 39.000 0.155 0.000 0.997 58 F HN -0.084 nan 8.300 nan 0.000 0.479 59 T N 0.848 115.349 114.554 -0.089 0.000 2.720 59 T HA -0.185 4.165 4.350 -0.001 0.000 0.268 59 T C 2.235 176.768 174.700 -0.278 0.000 1.037 59 T CA 1.497 63.434 62.100 -0.271 0.000 1.144 59 T CB -0.892 67.932 68.868 -0.072 0.000 0.864 59 T HN 0.406 nan 8.240 nan 0.000 0.444 60 A N 1.409 124.158 122.820 -0.117 0.000 1.877 60 A HA 0.107 4.427 4.320 -0.001 0.000 0.216 60 A C 2.650 180.115 177.584 -0.199 0.000 1.186 60 A CA 1.893 53.876 52.037 -0.089 0.000 0.620 60 A CB -1.388 17.645 19.000 0.054 0.000 0.822 60 A HN 0.511 nan 8.150 nan 0.000 0.443 61 G N -0.699 108.010 108.800 -0.153 0.000 2.418 61 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.217 61 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.217 61 G C 1.504 176.243 174.900 -0.269 0.000 1.158 61 G CA 1.252 46.266 45.100 -0.144 0.000 0.771 61 G HN 0.324 nan 8.290 nan 0.000 0.545 62 V N 1.549 121.208 119.914 -0.425 0.000 2.358 62 V HA -0.096 4.024 4.120 -0.001 0.000 0.246 62 V C 3.318 179.106 176.094 -0.510 0.000 1.047 62 V CA 1.891 63.907 62.300 -0.474 0.000 1.035 62 V CB -0.809 30.581 31.823 -0.722 0.000 0.658 62 V HN 0.470 nan 8.190 nan 0.000 0.452 63 A N 0.172 122.616 122.820 -0.626 0.000 1.908 63 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 63 A C 2.440 179.471 177.584 -0.922 0.000 1.181 63 A CA 2.219 53.762 52.037 -0.823 0.000 0.627 63 A CB -0.809 17.532 19.000 -1.098 0.000 0.818 63 A HN 0.570 nan 8.150 nan 0.000 0.445 64 A N -0.010 122.298 122.820 -0.854 0.000 1.877 64 A HA -0.234 4.085 4.320 -0.001 0.000 0.216 64 A C 1.973 179.412 177.584 -0.242 0.000 1.186 64 A CA 1.923 53.703 52.037 -0.428 0.000 0.620 64 A CB -0.701 18.211 19.000 -0.146 0.000 0.822 64 A HN 0.655 nan 8.150 nan 0.000 0.443 65 D N 0.021 120.282 120.400 -0.231 0.000 2.116 65 D HA -0.152 4.488 4.640 -0.001 0.000 0.193 65 D C 1.894 178.087 176.300 -0.178 0.000 0.998 65 D CA 2.088 55.993 54.000 -0.157 0.000 0.836 65 D CB -0.073 40.656 40.800 -0.118 0.000 0.951 65 D HN 0.221 nan 8.370 nan 0.000 0.449 66 V N 0.922 120.693 119.914 -0.239 0.000 2.453 66 V HA -0.181 3.938 4.120 -0.001 0.000 0.247 66 V C 2.610 178.585 176.094 -0.198 0.000 1.048 66 V CA 0.988 63.148 62.300 -0.233 0.000 1.049 66 V CB -0.423 31.237 31.823 -0.272 0.000 0.672 66 V HN 0.206 nan 8.190 nan 0.000 0.457 67 L N 1.069 122.182 121.223 -0.184 0.000 2.046 67 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 67 L C 2.458 179.291 176.870 -0.061 0.000 1.077 67 L CA 2.370 57.157 54.840 -0.088 0.000 0.747 67 L CB -0.901 41.147 42.059 -0.017 0.000 0.896 67 L HN 0.229 nan 8.230 nan 0.000 0.432 68 A N -0.531 122.244 122.820 -0.074 0.000 1.933 68 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 68 A C 2.515 180.051 177.584 -0.079 0.000 1.175 68 A CA 1.774 53.779 52.037 -0.052 0.000 0.628 68 A CB -0.622 18.350 19.000 -0.046 0.000 0.814 68 A HN 0.518 nan 8.150 nan 0.000 0.444 69 R N -0.258 120.146 120.500 -0.160 0.000 2.070 69 R HA -0.061 4.278 4.340 -0.001 0.000 0.233 69 R C 1.893 178.045 176.300 -0.247 0.000 1.137 69 R CA 1.918 57.845 56.100 -0.289 0.000 0.945 69 R CB -0.376 29.620 30.300 -0.505 0.000 0.845 69 R HN 0.531 nan 8.270 nan 0.000 0.430 70 I N 0.310 120.775 120.570 -0.174 0.000 2.286 70 I HA -0.197 3.973 4.170 -0.001 0.000 0.245 70 I C 2.376 178.536 176.117 0.072 0.000 1.104 70 I CA 1.609 62.913 61.300 0.007 0.000 1.397 70 I CB -0.383 37.623 38.000 0.008 0.000 1.072 70 I HN 0.403 nan 8.210 nan 0.000 0.417 71 T N -1.776 112.796 114.554 0.030 0.000 2.951 71 T HA 0.075 4.424 4.350 -0.001 0.000 0.268 71 T C 1.761 176.493 174.700 0.053 0.000 1.073 71 T CA 0.774 62.901 62.100 0.044 0.000 1.134 71 T CB -0.182 68.706 68.868 0.033 0.000 0.884 71 T HN 0.535 nan 8.240 nan 0.000 0.479 72 G N 1.707 110.536 108.800 0.048 0.000 2.162 72 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.260 72 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.260 72 G C 0.090 175.011 174.900 0.036 0.000 0.976 72 G CA 0.029 45.160 45.100 0.052 0.000 0.655 72 G HN 0.687 nan 8.290 nan 0.000 0.533 73 R N -0.117 120.401 120.500 0.030 0.000 2.778 73 R HA 0.571 4.911 4.340 -0.001 0.000 0.277 73 R C -2.774 173.541 176.300 0.025 0.000 0.977 73 R CA -2.692 53.427 56.100 0.033 0.000 0.950 73 R CB 0.495 30.820 30.300 0.041 0.000 1.165 73 R HN 0.018 nan 8.270 nan 0.000 0.474 74 P HA 0.041 nan 4.420 nan 0.000 0.265 74 P C -0.414 176.906 177.300 0.033 0.000 1.193 74 P CA 0.227 63.335 63.100 0.013 0.000 0.765 74 P CB 0.637 32.331 31.700 -0.011 0.000 0.823 75 Q N 0.977 120.799 119.800 0.036 0.000 2.633 75 Q HA 0.838 5.177 4.340 -0.001 0.000 0.292 75 Q C -0.890 175.164 176.000 0.090 0.000 1.089 75 Q CA -0.955 54.892 55.803 0.074 0.000 0.811 75 Q CB 2.407 31.194 28.738 0.081 0.000 1.472 75 Q HN 0.425 nan 8.270 nan 0.000 0.464 76 A N 0.237 123.145 122.820 0.147 0.000 2.449 76 A HA 0.787 5.107 4.320 -0.001 0.000 0.302 76 A C -0.549 177.167 177.584 0.220 0.000 1.048 76 A CA -0.537 51.598 52.037 0.163 0.000 0.708 76 A CB 0.778 19.876 19.000 0.163 0.000 1.274 76 A HN 0.826 nan 8.150 nan 0.000 0.410 77 C N -0.127 119.299 119.300 0.210 0.000 2.971 77 C HA 0.969 5.428 4.460 -0.001 0.000 0.310 77 C C -1.001 174.182 174.990 0.322 0.000 1.285 77 C CA -0.936 58.220 59.018 0.230 0.000 1.593 77 C CB 1.370 29.193 27.740 0.138 0.000 2.076 77 C HN 1.051 nan 8.230 nan 0.000 0.472 78 W N 1.305 122.680 121.300 0.125 0.000 3.129 78 W HA 0.664 5.324 4.660 -0.001 0.000 0.333 78 W C -1.002 175.631 176.519 0.191 0.000 1.141 78 W CA -0.075 57.392 57.345 0.203 0.000 1.224 78 W CB 2.277 31.931 29.460 0.323 0.000 1.393 78 W HN 1.301 nan 8.180 nan 0.000 0.499 79 A N 2.535 125.294 122.820 -0.102 0.000 2.566 79 A HA 0.617 4.937 4.320 -0.001 0.000 0.292 79 A C -0.718 176.817 177.584 -0.082 0.000 1.112 79 A CA -0.433 51.636 52.037 0.053 0.000 0.707 79 A CB 1.806 20.833 19.000 0.046 0.000 1.302 79 A HN 0.459 nan 8.150 nan 0.000 0.409 80 T N -0.011 114.593 114.554 0.084 0.000 2.771 80 T HA 0.506 4.855 4.350 -0.001 0.000 0.290 80 T C 0.654 175.357 174.700 0.005 0.000 1.005 80 T CA 0.042 62.188 62.100 0.076 0.000 0.944 80 T CB -0.125 68.814 68.868 0.119 0.000 1.147 80 T HN 1.104 nan 8.240 nan 0.000 0.534 81 L N 0.005 121.232 121.223 0.007 0.000 2.474 81 L HA 0.590 4.930 4.340 -0.001 0.000 0.259 81 L C 1.357 178.212 176.870 -0.024 0.000 1.232 81 L CA -0.124 54.709 54.840 -0.011 0.000 0.821 81 L CB -0.871 41.179 42.059 -0.016 0.000 1.108 81 L HN 0.911 nan 8.230 nan 0.000 0.495 82 G N 1.416 110.196 108.800 -0.033 0.000 2.646 82 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.324 82 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.324 82 G C -0.972 173.902 174.900 -0.042 0.000 1.195 82 G CA 0.414 45.484 45.100 -0.049 0.000 0.976 82 G HN 0.802 nan 8.290 nan 0.000 0.546 83 P HA 0.114 nan 4.420 nan 0.000 0.223 83 P C 1.524 178.803 177.300 -0.036 0.000 1.151 83 P CA 1.811 64.889 63.100 -0.037 0.000 0.787 83 P CB -0.565 31.114 31.700 -0.035 0.000 0.788 87 N N 1.720 120.425 118.700 0.008 0.000 2.084 87 N HA 0.117 4.856 4.740 -0.001 0.000 0.190 87 N C 1.692 177.276 175.510 0.124 0.000 1.030 87 N CA 1.468 54.555 53.050 0.061 0.000 0.849 87 N CB -0.579 37.845 38.487 -0.105 0.000 1.012 87 N HN 0.320 nan 8.380 nan 0.000 0.423 88 L N 1.172 122.435 121.223 0.066 0.000 2.127 88 L HA -0.131 4.209 4.340 -0.001 0.000 0.211 88 L C 2.181 179.096 176.870 0.074 0.000 1.089 88 L CA 1.391 56.282 54.840 0.084 0.000 0.757 88 L CB -0.875 41.216 42.059 0.053 0.000 0.899 88 L HN 0.263 nan 8.230 nan 0.000 0.434 89 S N -2.765 112.946 115.700 0.019 0.000 2.440 89 S HA -0.195 4.274 4.470 -0.001 0.000 0.238 89 S C 1.796 176.427 174.600 0.052 0.000 1.010 89 S CA 1.583 59.772 58.200 -0.017 0.000 0.972 89 S CB -0.972 62.182 63.200 -0.077 0.000 0.774 89 S HN 0.537 nan 8.310 nan 0.000 0.501 90 T N 1.376 116.009 114.554 0.132 0.000 2.904 90 T HA 0.115 4.465 4.350 -0.001 0.000 0.267 90 T C 1.964 176.863 174.700 0.333 0.000 1.059 90 T CA 1.149 63.370 62.100 0.201 0.000 1.137 90 T CB -0.871 68.085 68.868 0.147 0.000 0.879 90 T HN 0.638 nan 8.240 nan 0.000 0.467 91 G N 1.253 110.243 108.800 0.316 0.000 2.403 91 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.216 91 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.216 91 G C 1.503 176.446 174.900 0.072 0.000 1.154 91 G CA 0.229 45.410 45.100 0.135 0.000 0.784 91 G HN 0.470 nan 8.290 nan 0.000 0.538 92 I N 1.376 121.983 120.570 0.062 0.000 2.226 92 I HA -0.179 3.990 4.170 -0.001 0.000 0.245 92 I C 3.272 179.407 176.117 0.029 0.000 1.100 92 I CA 1.008 62.325 61.300 0.028 0.000 1.374 92 I CB -0.182 37.808 38.000 -0.016 0.000 1.057 92 I HN 0.237 nan 8.210 nan 0.000 0.413 93 A N 0.238 123.083 122.820 0.041 0.000 1.933 93 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 93 A C 2.367 179.980 177.584 0.048 0.000 1.175 93 A CA 2.344 54.401 52.037 0.035 0.000 0.628 93 A CB -1.031 17.989 19.000 0.033 0.000 0.814 93 A HN 0.384 nan 8.150 nan 0.000 0.444 94 T N -0.555 114.053 114.554 0.090 0.000 2.708 94 T HA -0.155 4.194 4.350 -0.001 0.000 0.266 94 T C 2.302 177.026 174.700 0.040 0.000 1.037 94 T CA 1.846 64.001 62.100 0.091 0.000 1.146 94 T CB -0.358 68.605 68.868 0.159 0.000 0.865 94 T HN 0.570 nan 8.240 nan 0.000 0.435 95 S N 0.166 115.882 115.700 0.026 0.000 2.368 95 S HA -0.086 4.384 4.470 -0.001 0.000 0.225 95 S C 2.175 176.778 174.600 0.005 0.000 1.030 95 S CA 1.208 59.411 58.200 0.006 0.000 0.999 95 S CB -0.566 62.637 63.200 0.004 0.000 0.844 95 S HN 0.269 nan 8.310 nan 0.000 0.459 96 V N 1.073 120.993 119.914 0.010 0.000 2.358 96 V HA 0.010 4.129 4.120 -0.001 0.000 0.246 96 V C 2.177 178.271 176.094 -0.001 0.000 1.047 96 V CA 1.820 64.125 62.300 0.007 0.000 1.035 96 V CB -0.303 31.525 31.823 0.008 0.000 0.658 96 V HN 0.557 nan 8.190 nan 0.000 0.452 97 L N -0.595 120.625 121.223 -0.006 0.000 2.162 97 L HA 0.008 4.348 4.340 -0.001 0.000 0.205 97 L C 2.018 178.869 176.870 -0.033 0.000 1.086 97 L CA 1.221 56.049 54.840 -0.020 0.000 0.778 97 L CB -0.396 41.648 42.059 -0.025 0.000 0.928 97 L HN 0.292 nan 8.230 nan 0.000 0.446 98 D N -0.066 120.318 120.400 -0.028 0.000 2.347 98 D HA -0.000 4.639 4.640 -0.001 0.000 0.213 98 D C -0.156 176.124 176.300 -0.032 0.000 0.985 98 D CA 0.197 54.173 54.000 -0.039 0.000 0.879 98 D CB 0.232 41.010 40.800 -0.036 0.000 0.919 98 D HN -0.018 nan 8.370 nan 0.000 0.526 99 R N 0.311 120.798 120.500 -0.022 0.000 2.448 99 R HA -0.096 4.244 4.340 -0.001 0.000 0.336 99 R C -0.700 175.585 176.300 -0.025 0.000 1.038 99 R CA 0.172 56.263 56.100 -0.016 0.000 0.804 99 R CB -3.121 27.173 30.300 -0.010 0.000 2.350 99 R HN 0.312 nan 8.270 nan 0.000 0.484 100 S N 0.235 115.921 115.700 -0.024 0.000 2.540 100 S HA 0.749 5.218 4.470 -0.001 0.000 0.275 100 S C -2.836 171.753 174.600 -0.019 0.000 1.123 100 S CA -1.658 56.522 58.200 -0.034 0.000 0.907 100 S CB 3.625 66.789 63.200 -0.060 0.000 1.081 100 S HN 0.181 nan 8.310 nan 0.000 0.476 101 P HA 0.328 nan 4.420 nan 0.000 0.268 101 P C -0.903 176.393 177.300 -0.007 0.000 1.541 101 P CA -0.234 62.860 63.100 -0.010 0.000 1.093 101 P CB 0.368 32.061 31.700 -0.011 0.000 1.551 102 V N 5.597 125.513 119.914 0.004 0.000 2.495 102 V HA 0.308 4.428 4.120 -0.001 0.000 0.298 102 V C 0.439 176.557 176.094 0.039 0.000 1.031 102 V CA -0.800 61.511 62.300 0.018 0.000 0.871 102 V CB 2.166 33.996 31.823 0.011 0.000 0.988 102 V HN 0.298 nan 8.190 nan 0.000 0.432 103 I N 4.337 124.934 120.570 0.046 0.000 2.301 103 I HA 0.488 4.658 4.170 -0.001 0.000 0.292 103 I C 0.618 176.797 176.117 0.104 0.000 1.046 103 I CA -0.263 61.074 61.300 0.061 0.000 1.282 103 I CB 0.845 38.865 38.000 0.033 0.000 1.409 103 I HN 0.669 nan 8.210 nan 0.000 0.484 104 A N 8.367 131.269 122.820 0.137 0.000 2.274 104 A HA 0.791 5.111 4.320 -0.001 0.000 0.309 104 A C -0.387 177.277 177.584 0.133 0.000 1.226 104 A CA -0.447 51.701 52.037 0.185 0.000 0.853 104 A CB 0.543 19.697 19.000 0.257 0.000 1.146 104 A HN 0.684 nan 8.150 nan 0.000 0.518 105 L N 2.129 123.367 121.223 0.026 0.000 2.362 105 L HA 0.785 5.124 4.340 -0.001 0.000 0.275 105 L C 0.187 176.782 176.870 -0.459 0.000 0.998 105 L CA -0.370 54.313 54.840 -0.262 0.000 0.820 105 L CB 2.076 44.006 42.059 -0.216 0.000 1.270 105 L HN 0.767 nan 8.230 nan 0.000 0.415 106 A N 2.090 124.631 122.820 -0.465 0.000 2.449 106 A HA 0.899 5.218 4.320 -0.001 0.000 0.302 106 A C -0.321 177.031 177.584 -0.388 0.000 1.048 106 A CA -0.457 51.353 52.037 -0.379 0.000 0.708 106 A CB 1.594 20.650 19.000 0.092 0.000 1.274 106 A HN 0.774 nan 8.150 nan 0.000 0.410 107 A N 0.759 123.382 122.820 -0.329 0.000 2.386 107 A HA 0.575 4.895 4.320 -0.001 0.000 0.246 107 A C 0.169 177.707 177.584 -0.076 0.000 1.089 107 A CA 0.336 52.289 52.037 -0.141 0.000 0.790 107 A CB 0.403 19.407 19.000 0.006 0.000 1.042 107 A HN 1.152 nan 8.150 nan 0.000 0.497 108 Q N -0.324 119.443 119.800 -0.055 0.000 2.501 108 Q HA 0.513 4.853 4.340 -0.001 0.000 0.288 108 Q C -0.504 175.468 176.000 -0.047 0.000 1.051 108 Q CA -0.312 55.463 55.803 -0.047 0.000 0.788 108 Q CB 1.682 30.383 28.738 -0.062 0.000 1.469 108 Q HN 0.755 nan 8.270 nan 0.000 0.416 109 S N 1.765 117.433 115.700 -0.054 0.000 2.550 109 S HA 0.023 4.493 4.470 -0.001 0.000 0.285 109 S C -0.535 173.991 174.600 -0.122 0.000 1.326 109 S CA -0.022 58.136 58.200 -0.070 0.000 1.037 109 S CB 0.015 63.171 63.200 -0.074 0.000 0.838 109 S HN 0.549 nan 8.310 nan 0.000 0.519 110 E N 1.755 121.861 120.200 -0.156 0.000 2.653 110 E HA -0.049 4.301 4.350 -0.001 0.000 0.264 110 E C 1.381 177.761 176.600 -0.366 0.000 0.949 110 E CA 0.604 56.846 56.400 -0.263 0.000 0.953 110 E CB 0.274 29.739 29.700 -0.392 0.000 0.925 110 E HN 0.647 nan 8.360 nan 0.000 0.475 111 S N 3.420 118.970 115.700 -0.249 0.000 2.374 111 S HA -0.306 4.164 4.470 -0.001 0.000 0.227 111 S C 1.676 176.145 174.600 -0.217 0.000 1.037 111 S CA 1.740 59.833 58.200 -0.178 0.000 1.024 111 S CB -0.619 62.541 63.200 -0.067 0.000 0.861 111 S HN 0.784 nan 8.310 nan 0.000 0.456 112 H N -0.251 118.771 119.070 -0.081 0.000 2.559 112 H HA 0.180 4.736 4.556 -0.001 0.000 0.273 112 H C 0.494 175.745 175.328 -0.127 0.000 1.000 112 H CA 1.199 57.197 56.048 -0.083 0.000 1.195 112 H CB -0.329 29.425 29.762 -0.013 0.000 1.368 112 H HN 0.468 nan 8.280 nan 0.000 0.592 113 D N 0.699 120.842 120.400 -0.429 0.000 2.501 113 D HA 0.204 4.844 4.640 -0.001 0.000 0.224 113 D C -0.088 175.998 176.300 -0.356 0.000 1.202 113 D CA -0.319 53.541 54.000 -0.233 0.000 0.829 113 D CB -0.104 40.605 40.800 -0.153 0.000 1.023 113 D HN 0.298 nan 8.370 nan 0.000 0.499 114 I N 1.569 121.800 120.570 -0.564 0.000 2.311 114 I HA 0.142 4.312 4.170 -0.001 0.000 0.297 114 I C -0.594 175.113 176.117 -0.682 0.000 1.131 114 I CA -0.016 61.018 61.300 -0.444 0.000 1.289 114 I CB -0.067 37.755 38.000 -0.297 0.000 1.446 114 I HN -0.111 nan 8.210 nan 0.000 0.524 115 F N 7.102 127.046 119.950 -0.010 0.000 2.691 115 F HA 0.393 4.919 4.527 -0.001 0.000 0.371 115 F C -2.308 173.490 175.800 -0.004 0.000 1.159 115 F CA -2.749 55.251 58.000 -0.002 0.000 1.174 115 F CB 0.753 39.757 39.000 0.007 0.000 1.419 115 F HN 0.235 nan 8.300 nan 0.000 0.514 116 P HA 0.064 nan 4.420 nan 0.000 0.262 116 P C 0.079 177.420 177.300 0.069 0.000 1.182 116 P CA 0.662 63.797 63.100 0.059 0.000 0.761 116 P CB 0.406 32.123 31.700 0.028 0.000 0.795 117 N N 1.096 119.823 118.700 0.046 0.000 2.828 117 N HA -0.163 4.576 4.740 -0.001 0.000 0.248 117 N C 0.134 175.673 175.510 0.049 0.000 1.044 117 N CA 1.260 54.331 53.050 0.036 0.000 0.851 117 N CB -1.459 37.043 38.487 0.026 0.000 1.136 117 N HN 0.528 nan 8.380 nan 0.000 0.572 118 D N -1.201 119.247 120.400 0.080 0.000 2.760 118 D HA 0.068 4.707 4.640 -0.001 0.000 0.285 118 D C 0.091 176.453 176.300 0.104 0.000 1.178 118 D CA 0.568 54.614 54.000 0.077 0.000 1.031 118 D CB 0.012 40.850 40.800 0.063 0.000 1.544 118 D HN 0.014 nan 8.370 nan 0.000 0.468 119 T N 1.266 115.919 114.554 0.164 0.000 2.916 119 T HA 0.002 4.351 4.350 -0.001 0.000 0.303 119 T C 0.182 174.960 174.700 0.130 0.000 1.025 119 T CA 0.114 62.317 62.100 0.173 0.000 1.142 119 T CB 0.398 69.386 68.868 0.199 0.000 0.947 119 T HN 0.094 nan 8.240 nan 0.000 0.544 120 H N 3.167 122.268 119.070 0.053 0.000 3.192 120 H HA -0.055 4.500 4.556 -0.001 0.000 0.295 120 H C 1.099 176.446 175.328 0.031 0.000 0.943 120 H CA 1.177 57.247 56.048 0.036 0.000 1.416 120 H CB -0.071 29.710 29.762 0.032 0.000 1.434 120 H HN 0.796 nan 8.280 nan 0.000 0.565 121 Q N 1.248 120.788 119.800 -0.434 0.000 2.452 121 Q HA -0.278 4.061 4.340 -0.001 0.000 0.248 121 Q C -0.380 175.543 176.000 -0.128 0.000 0.874 121 Q CA 1.032 56.641 55.803 -0.324 0.000 1.208 121 Q CB -1.841 26.657 28.738 -0.400 0.000 1.569 121 Q HN 0.605 nan 8.270 nan 0.000 0.579 122 C N 1.372 120.634 119.300 -0.063 0.000 2.246 122 C HA 0.638 5.098 4.460 -0.001 0.000 0.329 122 C C 0.263 175.244 174.990 -0.016 0.000 1.221 122 C CA -0.493 58.511 59.018 -0.024 0.000 1.697 122 C CB -0.457 27.289 27.740 0.010 0.000 2.312 122 C HN 0.337 nan 8.230 nan 0.000 0.509 123 L N 4.380 125.590 121.223 -0.022 0.000 2.319 123 L HA 0.451 4.790 4.340 -0.001 0.000 0.267 123 L C 0.079 176.941 176.870 -0.012 0.000 1.011 123 L CA -0.519 54.310 54.840 -0.018 0.000 0.818 123 L CB 1.202 43.243 42.059 -0.029 0.000 1.316 123 L HN 0.483 nan 8.230 nan 0.000 0.432 124 D N 0.327 120.719 120.400 -0.012 0.000 2.551 124 D HA 0.082 4.722 4.640 -0.001 0.000 0.223 124 D C 0.889 177.182 176.300 -0.011 0.000 1.144 124 D CA 0.188 54.182 54.000 -0.010 0.000 1.025 124 D CB 0.700 41.493 40.800 -0.010 0.000 1.085 124 D HN 0.442 nan 8.370 nan 0.000 0.506 125 S N 0.927 116.637 115.700 0.017 0.000 2.359 125 S HA -0.152 4.318 4.470 -0.001 0.000 0.224 125 S C 2.176 176.794 174.600 0.030 0.000 1.035 125 S CA 0.799 59.014 58.200 0.026 0.000 1.018 125 S CB 0.018 63.343 63.200 0.209 0.000 0.876 125 S HN 0.431 nan 8.310 nan 0.000 0.448 126 V N 2.000 121.999 119.914 0.141 0.000 2.343 126 V HA -0.210 3.909 4.120 -0.001 0.000 0.247 126 V C 2.648 178.746 176.094 0.007 0.000 1.051 126 V CA 1.704 64.081 62.300 0.129 0.000 1.036 126 V CB -1.238 30.630 31.823 0.075 0.000 0.654 126 V HN 0.557 nan 8.190 nan 0.000 0.451 127 A N -0.259 122.552 122.820 -0.014 0.000 1.933 127 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 127 A C 2.168 179.718 177.584 -0.056 0.000 1.175 127 A CA 1.829 53.847 52.037 -0.032 0.000 0.628 127 A CB -0.501 18.485 19.000 -0.025 0.000 0.814 127 A HN 0.522 nan 8.150 nan 0.000 0.444 128 I N -0.740 119.782 120.570 -0.080 0.000 2.286 128 I HA -0.156 4.014 4.170 -0.001 0.000 0.245 128 I C 2.063 178.089 176.117 -0.151 0.000 1.104 128 I CA 0.956 62.191 61.300 -0.108 0.000 1.397 128 I CB -0.037 37.891 38.000 -0.120 0.000 1.072 128 I HN 0.145 nan 8.210 nan 0.000 0.417 129 V N 0.463 120.241 119.914 -0.227 0.000 2.878 129 V HA 0.012 4.132 4.120 -0.001 0.000 0.250 129 V C 2.567 178.581 176.094 -0.134 0.000 1.075 129 V CA 1.144 63.273 62.300 -0.285 0.000 1.096 129 V CB -0.388 31.016 31.823 -0.699 0.000 0.724 129 V HN 0.396 nan 8.190 nan 0.000 0.467 130 A N 0.742 123.515 122.820 -0.078 0.000 1.917 130 A HA -0.089 4.231 4.320 -0.001 0.000 0.219 130 A C -0.351 177.215 177.584 -0.029 0.000 1.182 130 A CA 1.401 53.417 52.037 -0.035 0.000 0.633 130 A CB -1.694 17.287 19.000 -0.032 0.000 0.819 130 A HN 0.533 nan 8.150 nan 0.000 0.448 134 K N -0.259 120.198 120.400 0.095 0.000 2.365 134 K HA 0.246 4.566 4.320 -0.001 0.000 0.197 134 K C -0.297 176.421 176.600 0.195 0.000 1.042 134 K CA 0.974 57.328 56.287 0.111 0.000 0.987 134 K CB -0.384 32.170 32.500 0.090 0.000 0.779 134 K HN 0.706 nan 8.250 nan 0.000 0.484 135 Y N -0.961 119.360 120.300 0.036 0.000 2.457 135 Y HA 0.402 4.952 4.550 -0.001 0.000 0.322 135 Y C -2.129 173.820 175.900 0.081 0.000 1.218 135 Y CA -1.078 57.046 58.100 0.039 0.000 1.116 135 Y CB 1.274 39.745 38.460 0.019 0.000 1.335 135 Y HN -0.063 nan 8.280 nan 0.000 0.452 136 A N 4.756 127.362 122.820 -0.356 0.000 2.465 136 A HA 0.770 5.089 4.320 -0.001 0.000 0.292 136 A C -2.251 175.126 177.584 -0.346 0.000 1.041 136 A CA -0.358 51.602 52.037 -0.129 0.000 0.718 136 A CB 1.441 20.495 19.000 0.090 0.000 1.266 136 A HN 1.266 nan 8.150 nan 0.000 0.403 137 V N 1.525 121.264 119.914 -0.291 0.000 3.087 137 V HA 0.664 4.784 4.120 -0.001 0.000 0.306 137 V C -1.075 174.895 176.094 -0.206 0.000 1.187 137 V CA -0.477 61.658 62.300 -0.275 0.000 0.999 137 V CB 2.046 33.671 31.823 -0.331 0.000 1.049 137 V HN 1.024 nan 8.190 nan 0.000 0.431 138 E N 3.796 123.908 120.200 -0.147 0.000 2.158 138 E HA 0.442 4.791 4.350 -0.001 0.000 0.271 138 E C -1.077 175.454 176.600 -0.114 0.000 0.911 138 E CA -0.857 55.460 56.400 -0.138 0.000 0.767 138 E CB 1.798 31.441 29.700 -0.095 0.000 1.120 138 E HN 0.673 nan 8.360 nan 0.000 0.405 139 L N 4.283 125.435 121.223 -0.119 0.000 2.540 139 L HA -0.038 4.302 4.340 -0.001 0.000 0.276 139 L C 0.407 177.233 176.870 -0.073 0.000 1.212 139 L CA 1.237 56.024 54.840 -0.088 0.000 0.893 139 L CB 0.539 42.549 42.059 -0.081 0.000 1.138 139 L HN 0.767 nan 8.230 nan 0.000 0.491 140 Q N 3.559 123.321 119.800 -0.065 0.000 2.471 140 Q HA 0.299 4.638 4.340 -0.001 0.000 0.259 140 Q C -0.171 175.807 176.000 -0.036 0.000 0.850 140 Q CA 0.017 55.790 55.803 -0.049 0.000 0.981 140 Q CB 0.895 29.606 28.738 -0.046 0.000 1.180 140 Q HN 0.580 nan 8.270 nan 0.000 0.571 141 R N 0.761 121.226 120.500 -0.058 0.000 2.451 141 R HA 0.245 4.584 4.340 -0.001 0.000 0.307 141 R C -2.243 174.008 176.300 -0.081 0.000 0.965 141 R CA -1.790 54.283 56.100 -0.045 0.000 0.865 141 R CB 1.545 31.815 30.300 -0.050 0.000 1.174 141 R HN -0.109 nan 8.270 nan 0.000 0.455 142 P HA -0.290 nan 4.420 nan 0.000 0.217 142 P C 0.986 178.294 177.300 0.015 0.000 1.158 142 P CA 1.452 64.562 63.100 0.017 0.000 0.887 142 P CB 0.005 31.740 31.700 0.058 0.000 0.792 143 H N -0.275 118.806 119.070 0.019 0.000 2.518 143 H HA -0.013 4.542 4.556 -0.001 0.000 0.289 143 H C 1.112 176.456 175.328 0.026 0.000 1.051 143 H CA 1.087 57.149 56.048 0.023 0.000 1.280 143 H CB -0.685 29.088 29.762 0.019 0.000 1.380 143 H HN 0.250 nan 8.280 nan 0.000 0.566 144 E N 0.281 120.183 120.200 -0.496 0.000 2.482 144 E HA -0.029 4.321 4.350 -0.001 0.000 0.196 144 E C 1.834 178.367 176.600 -0.112 0.000 1.047 144 E CA 0.162 56.363 56.400 -0.333 0.000 0.869 144 E CB 0.008 29.506 29.700 -0.338 0.000 0.836 144 E HN 0.303 nan 8.360 nan 0.000 0.520 145 I N 1.263 121.795 120.570 -0.063 0.000 2.315 145 I HA -0.290 3.880 4.170 -0.001 0.000 0.251 145 I C 1.942 178.068 176.117 0.016 0.000 1.125 145 I CA 1.611 62.904 61.300 -0.012 0.000 1.392 145 I CB -0.318 37.689 38.000 0.012 0.000 1.065 145 I HN -0.004 nan 8.210 nan 0.000 0.424 146 T N 0.652 115.223 114.554 0.029 0.000 2.652 146 T HA -0.216 4.134 4.350 -0.001 0.000 0.267 146 T C 1.440 176.168 174.700 0.047 0.000 1.039 146 T CA 1.878 64.009 62.100 0.052 0.000 1.153 146 T CB -0.598 68.309 68.868 0.066 0.000 0.863 146 T HN 0.703 nan 8.240 nan 0.000 0.428 147 D N 1.062 121.478 120.400 0.027 0.000 2.224 147 D HA -0.030 4.610 4.640 -0.001 0.000 0.205 147 D C 1.990 178.296 176.300 0.010 0.000 0.965 147 D CA 0.636 54.649 54.000 0.022 0.000 0.852 147 D CB -0.651 40.161 40.800 0.020 0.000 0.947 147 D HN 0.338 nan 8.370 nan 0.000 0.494 148 L N 0.203 121.435 121.223 0.015 0.000 2.056 148 L HA -0.087 4.252 4.340 -0.001 0.000 0.207 148 L C 2.526 179.387 176.870 -0.016 0.000 1.078 148 L CA 0.584 55.452 54.840 0.047 0.000 0.749 148 L CB -0.359 41.733 42.059 0.055 0.000 0.901 148 L HN 0.058 nan 8.230 nan 0.000 0.433 149 V N 0.014 119.917 119.914 -0.017 0.000 2.343 149 V HA -0.293 3.827 4.120 -0.001 0.000 0.247 149 V C 2.130 178.133 176.094 -0.152 0.000 1.051 149 V CA 1.888 64.152 62.300 -0.060 0.000 1.036 149 V CB -0.521 31.308 31.823 0.010 0.000 0.654 149 V HN 0.439 nan 8.190 nan 0.000 0.451 150 D N -0.047 120.320 120.400 -0.054 0.000 2.097 150 D HA -0.121 4.519 4.640 -0.001 0.000 0.195 150 D C 2.446 178.642 176.300 -0.174 0.000 0.989 150 D CA 1.710 55.688 54.000 -0.036 0.000 0.827 150 D CB -0.343 40.503 40.800 0.076 0.000 0.966 150 D HN 0.361 nan 8.370 nan 0.000 0.456 151 S N 0.389 115.951 115.700 -0.231 0.000 2.382 151 S HA -0.111 4.359 4.470 -0.001 0.000 0.228 151 S C 2.064 176.168 174.600 -0.826 0.000 1.027 151 S CA 1.005 58.949 58.200 -0.427 0.000 0.991 151 S CB -0.169 62.822 63.200 -0.348 0.000 0.823 151 S HN 0.364 nan 8.310 nan 0.000 0.469 152 A N 1.125 123.461 122.820 -0.807 0.000 1.877 152 A HA -0.052 4.268 4.320 -0.001 0.000 0.216 152 A C 2.335 179.707 177.584 -0.353 0.000 1.186 152 A CA 1.542 53.197 52.037 -0.636 0.000 0.620 152 A CB -0.931 17.930 19.000 -0.230 0.000 0.822 152 A HN 0.341 nan 8.150 nan 0.000 0.443 153 V N 1.020 120.735 119.914 -0.331 0.000 2.295 153 V HA -0.276 3.844 4.120 -0.001 0.000 0.246 153 V C 2.347 178.328 176.094 -0.188 0.000 1.049 153 V CA 2.148 64.277 62.300 -0.284 0.000 1.024 153 V CB -1.051 30.464 31.823 -0.513 0.000 0.648 153 V HN 0.547 nan 8.190 nan 0.000 0.447 154 N N 0.731 119.317 118.700 -0.190 0.000 2.061 154 N HA -0.182 4.557 4.740 -0.001 0.000 0.193 154 N C 1.843 177.291 175.510 -0.103 0.000 1.030 154 N CA 1.964 54.942 53.050 -0.120 0.000 0.856 154 N CB -0.569 37.851 38.487 -0.112 0.000 1.023 154 N HN 0.516 nan 8.380 nan 0.000 0.424 155 A N 0.809 123.541 122.820 -0.148 0.000 1.929 155 A HA 0.296 4.616 4.320 -0.001 0.000 0.216 155 A C 1.421 178.986 177.584 -0.031 0.000 1.176 155 A CA 0.960 52.958 52.037 -0.065 0.000 0.628 155 A CB -0.705 18.278 19.000 -0.029 0.000 0.816 155 A HN 0.378 nan 8.150 nan 0.000 0.444 159 E N 2.974 123.172 120.200 -0.004 0.000 2.414 159 E HA 0.193 4.543 4.350 -0.001 0.000 0.263 159 E C -2.276 174.325 176.600 0.001 0.000 1.000 159 E CA -1.428 54.970 56.400 -0.003 0.000 0.914 159 E CB 0.335 30.029 29.700 -0.010 0.000 0.948 159 E HN 0.267 nan 8.360 nan 0.000 0.444 160 P HA 0.009 nan 4.420 nan 0.000 0.276 160 P C -0.152 177.152 177.300 0.006 0.000 1.243 160 P CA -0.356 62.747 63.100 0.005 0.000 0.768 160 P CB 0.512 32.216 31.700 0.007 0.000 0.856 161 V N 1.588 121.505 119.914 0.004 0.000 2.999 161 V HA 0.683 4.803 4.120 -0.001 0.000 0.307 161 V C 0.575 176.672 176.094 0.004 0.000 1.084 161 V CA 0.497 62.799 62.300 0.003 0.000 1.155 161 V CB -0.007 31.817 31.823 0.002 0.000 0.975 161 V HN 0.834 nan 8.190 nan 0.000 0.490 162 G N 3.034 111.838 108.800 0.007 0.000 2.488 162 G HA2 0.622 4.582 3.960 -0.001 0.000 0.301 162 G HA3 0.622 4.582 3.960 -0.001 0.000 0.301 162 G C -3.501 171.414 174.900 0.024 0.000 1.339 162 G CA -0.585 44.523 45.100 0.014 0.000 0.803 162 G HN 0.742 nan 8.290 nan 0.000 0.482 163 P HA 0.493 nan 4.420 nan 0.000 0.282 163 P C -0.699 176.662 177.300 0.103 0.000 1.249 163 P CA -0.234 62.902 63.100 0.061 0.000 0.806 163 P CB 1.852 33.588 31.700 0.060 0.000 0.984 164 S N 1.779 117.555 115.700 0.127 0.000 2.503 164 S HA 0.609 5.078 4.470 -0.001 0.000 0.301 164 S C -0.969 173.790 174.600 0.265 0.000 1.087 164 S CA -0.334 57.997 58.200 0.218 0.000 1.042 164 S CB 0.599 63.889 63.200 0.150 0.000 1.043 164 S HN 0.439 nan 8.310 nan 0.000 0.489 165 F N 3.378 123.406 119.950 0.129 0.000 2.482 165 F HA 0.710 5.236 4.527 -0.001 0.000 0.331 165 F C -1.295 174.530 175.800 0.041 0.000 1.115 165 F CA -1.036 56.991 58.000 0.045 0.000 0.955 165 F CB 0.623 39.618 39.000 -0.007 0.000 1.136 165 F HN 0.439 nan 8.300 nan 0.000 0.452 166 I N 4.810 124.911 120.570 -0.782 0.000 2.418 166 I HA 0.261 4.431 4.170 -0.001 0.000 0.287 166 I C -0.437 175.029 176.117 -1.084 0.000 1.008 166 I CA -0.775 60.094 61.300 -0.718 0.000 1.104 166 I CB 1.902 39.736 38.000 -0.277 0.000 1.264 166 I HN 0.545 nan 8.210 nan 0.000 0.438 167 S N 7.080 122.246 115.700 -0.889 0.000 2.499 167 S HA 0.630 5.099 4.470 -0.001 0.000 0.279 167 S C -0.549 173.871 174.600 -0.300 0.000 1.219 167 S CA -0.462 57.412 58.200 -0.543 0.000 1.062 167 S CB 0.349 63.408 63.200 -0.234 0.000 0.978 167 S HN 0.466 nan 8.310 nan 0.000 0.489 168 L N 6.839 127.917 121.223 -0.243 0.000 2.384 168 L HA 0.397 4.736 4.340 -0.001 0.000 0.261 168 L C -2.447 174.369 176.870 -0.090 0.000 1.024 168 L CA -2.097 52.651 54.840 -0.153 0.000 0.899 168 L CB 1.469 43.437 42.059 -0.152 0.000 1.243 168 L HN 0.436 nan 8.230 nan 0.000 0.449 169 P HA -0.023 nan 4.420 nan 0.000 0.264 169 P C 1.215 178.497 177.300 -0.030 0.000 1.193 169 P CA 0.032 63.094 63.100 -0.063 0.000 0.763 169 P CB 1.060 32.715 31.700 -0.076 0.000 0.810 170 V N 3.486 123.390 119.914 -0.017 0.000 2.380 170 V HA -0.278 3.841 4.120 -0.001 0.000 0.251 170 V C 2.024 178.129 176.094 0.018 0.000 1.063 170 V CA 2.496 64.806 62.300 0.017 0.000 1.055 170 V CB -1.062 30.776 31.823 0.025 0.000 0.657 170 V HN 0.666 nan 8.190 nan 0.000 0.455 171 D N 0.276 120.680 120.400 0.007 0.000 2.117 171 D HA -0.194 4.446 4.640 -0.001 0.000 0.197 171 D C 2.002 178.319 176.300 0.027 0.000 0.987 171 D CA 1.462 55.480 54.000 0.030 0.000 0.829 171 D CB -0.530 40.305 40.800 0.058 0.000 0.961 171 D HN 0.447 nan 8.370 nan 0.000 0.460 172 L N -0.478 120.753 121.223 0.014 0.000 2.109 172 L HA -0.042 4.297 4.340 -0.001 0.000 0.207 172 L C 2.634 179.515 176.870 0.018 0.000 1.086 172 L CA 0.270 55.118 54.840 0.014 0.000 0.760 172 L CB -0.402 41.655 42.059 -0.004 0.000 0.910 172 L HN 0.040 nan 8.230 nan 0.000 0.437 173 L N 0.517 121.752 121.223 0.021 0.000 2.131 173 L HA -0.080 4.259 4.340 -0.001 0.000 0.210 173 L C 2.060 178.945 176.870 0.026 0.000 1.092 173 L CA 1.893 56.755 54.840 0.036 0.000 0.759 173 L CB -0.813 41.286 42.059 0.067 0.000 0.903 173 L HN 0.132 nan 8.230 nan 0.000 0.435 174 G N -1.693 107.119 108.800 0.021 0.000 3.141 174 G HA2 0.037 3.997 3.960 -0.001 0.000 0.218 174 G HA3 0.037 3.997 3.960 -0.001 0.000 0.218 174 G C 0.477 175.386 174.900 0.015 0.000 1.170 174 G CA 0.480 45.587 45.100 0.011 0.000 0.769 174 G HN 0.358 nan 8.290 nan 0.000 0.546 175 S N -0.019 115.695 115.700 0.022 0.000 2.541 175 S HA 0.414 4.883 4.470 -0.001 0.000 0.283 175 S C 1.399 176.016 174.600 0.027 0.000 1.196 175 S CA 0.134 58.349 58.200 0.025 0.000 1.062 175 S CB 1.401 64.621 63.200 0.032 0.000 1.009 175 S HN 0.278 nan 8.310 nan 0.000 0.502 176 S N 2.261 117.973 115.700 0.020 0.000 2.557 176 S HA 0.181 4.651 4.470 -0.001 0.000 0.223 176 S C 0.239 174.854 174.600 0.025 0.000 0.969 176 S CA -0.353 57.858 58.200 0.018 0.000 0.927 176 S CB -0.213 62.986 63.200 -0.001 0.000 0.806 176 S HN 0.773 nan 8.310 nan 0.000 0.489 177 E N 2.158 122.379 120.200 0.034 0.000 2.498 177 E HA 0.371 4.721 4.350 -0.001 0.000 0.252 177 E C 1.314 177.950 176.600 0.060 0.000 1.025 177 E CA 1.107 57.530 56.400 0.039 0.000 0.938 177 E CB -0.513 29.214 29.700 0.045 0.000 0.947 177 E HN 0.500 nan 8.360 nan 0.000 0.478 178 G N 4.174 112.982 108.800 0.014 0.000 2.189 178 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.267 178 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.267 178 G C 0.274 175.155 174.900 -0.032 0.000 0.975 178 G CA 0.283 45.353 45.100 -0.050 0.000 0.644 178 G HN 0.541 nan 8.290 nan 0.000 0.537 179 I N 1.501 122.087 120.570 0.026 0.000 2.312 179 I HA 0.373 4.543 4.170 -0.001 0.000 0.291 179 I C -0.370 175.750 176.117 0.004 0.000 1.031 179 I CA -0.427 60.898 61.300 0.041 0.000 1.293 179 I CB 1.352 39.388 38.000 0.059 0.000 1.403 179 I HN 0.081 nan 8.210 nan 0.000 0.484 180 D N 5.965 126.365 120.400 0.001 0.000 2.446 180 D HA 0.292 4.932 4.640 -0.001 0.000 0.251 180 D C -0.308 175.993 176.300 0.001 0.000 1.137 180 D CA -0.246 53.747 54.000 -0.011 0.000 0.890 180 D CB 1.011 41.797 40.800 -0.024 0.000 1.071 180 D HN 0.341 nan 8.370 nan 0.000 0.528 185 N N 3.107 121.820 118.700 0.021 0.000 2.454 185 N HA 0.205 4.945 4.740 -0.001 0.000 0.254 185 N C -1.609 173.904 175.510 0.004 0.000 1.228 185 N CA -0.357 52.704 53.050 0.017 0.000 0.900 185 N CB 0.114 38.609 38.487 0.012 0.000 1.089 185 N HN 0.355 nan 8.380 nan 0.000 0.449 186 P HA 0.219 nan 4.420 nan 0.000 0.271 186 P C -2.517 174.769 177.300 -0.023 0.000 1.244 186 P CA -0.828 62.271 63.100 -0.002 0.000 0.793 186 P CB -0.625 31.081 31.700 0.009 0.000 0.984 187 P HA 0.052 nan 4.420 nan 0.000 0.265 187 P C 0.610 177.859 177.300 -0.086 0.000 1.193 187 P CA 0.144 63.213 63.100 -0.051 0.000 0.765 187 P CB 0.191 31.872 31.700 -0.031 0.000 0.823 188 A N 3.674 126.389 122.820 -0.174 0.000 1.902 188 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 188 A C 0.885 178.367 177.584 -0.169 0.000 1.181 188 A CA 1.131 52.943 52.037 -0.375 0.000 0.623 188 A CB -1.114 17.463 19.000 -0.705 0.000 0.818 188 A HN 0.659 nan 8.150 nan 0.000 0.443 189 N N -0.086 118.564 118.700 -0.083 0.000 2.721 189 N HA -0.120 4.620 4.740 -0.001 0.000 0.249 189 N C -0.449 175.097 175.510 0.060 0.000 1.072 189 N CA 1.340 54.389 53.050 -0.001 0.000 0.710 189 N CB -2.208 36.286 38.487 0.012 0.000 0.993 189 N HN 0.535 nan 8.380 nan 0.000 0.547 190 T N 1.648 116.257 114.554 0.092 0.000 2.908 190 T HA 0.162 4.512 4.350 -0.001 0.000 0.301 190 T C -1.669 173.075 174.700 0.072 0.000 1.019 190 T CA -0.500 61.694 62.100 0.156 0.000 1.152 190 T CB 0.471 69.459 68.868 0.200 0.000 0.966 190 T HN 0.076 nan 8.240 nan 0.000 0.540 191 P HA 0.142 nan 4.420 nan 0.000 0.265 191 P C 0.532 177.851 177.300 0.032 0.000 1.187 191 P CA -0.173 62.946 63.100 0.032 0.000 0.766 191 P CB 0.374 32.086 31.700 0.020 0.000 0.820 192 A N 3.593 126.428 122.820 0.025 0.000 1.930 192 A HA -0.085 4.235 4.320 -0.001 0.000 0.217 192 A C 0.874 178.473 177.584 0.026 0.000 1.175 192 A CA 1.551 53.603 52.037 0.025 0.000 0.627 192 A CB -0.546 18.466 19.000 0.021 0.000 0.815 192 A HN 0.687 nan 8.150 nan 0.000 0.443 193 K N -1.921 118.492 120.400 0.022 0.000 2.499 193 K HA 0.569 4.889 4.320 -0.001 0.000 0.277 193 K C -3.389 173.220 176.600 0.015 0.000 1.025 193 K CA -2.071 54.229 56.287 0.022 0.000 0.900 193 K CB 0.553 33.066 32.500 0.022 0.000 1.494 193 K HN -0.215 nan 8.250 nan 0.000 0.442 194 P HA 0.003 nan 4.420 nan 0.000 0.265 194 P C -0.620 176.679 177.300 -0.002 0.000 1.193 194 P CA -0.395 62.709 63.100 0.006 0.000 0.765 194 P CB 0.501 32.206 31.700 0.008 0.000 0.823 195 V N 3.054 122.965 119.914 -0.005 0.000 2.715 195 V HA 0.483 4.603 4.120 -0.001 0.000 0.299 195 V C 1.129 177.212 176.094 -0.018 0.000 1.054 195 V CA 0.717 63.011 62.300 -0.010 0.000 1.077 195 V CB 0.644 32.463 31.823 -0.007 0.000 0.972 195 V HN 0.836 nan 8.190 nan 0.000 0.484 196 G N 2.137 110.920 108.800 -0.029 0.000 2.733 196 G HA2 0.701 4.661 3.960 -0.001 0.000 0.288 196 G HA3 0.701 4.661 3.960 -0.001 0.000 0.288 196 G C -0.873 174.001 174.900 -0.044 0.000 1.373 196 G CA -0.335 44.741 45.100 -0.040 0.000 0.895 196 G HN 0.947 nan 8.290 nan 0.000 0.479 197 V N -2.083 117.801 119.914 -0.049 0.000 2.716 197 V HA 0.856 4.975 4.120 -0.001 0.000 0.304 197 V C -0.431 175.615 176.094 -0.080 0.000 1.053 197 V CA -0.898 61.374 62.300 -0.045 0.000 0.984 197 V CB 1.441 33.249 31.823 -0.025 0.000 1.021 197 V HN 0.579 nan 8.190 nan 0.000 0.467 198 V N 2.887 122.765 119.914 -0.059 0.000 2.569 198 V HA 0.764 4.884 4.120 -0.001 0.000 0.301 198 V C 0.450 176.559 176.094 0.027 0.000 1.044 198 V CA -0.142 62.107 62.300 -0.084 0.000 0.874 198 V CB 1.412 33.174 31.823 -0.101 0.000 1.002 198 V HN 1.407 nan 8.190 nan 0.000 0.424 199 A N 2.831 125.690 122.820 0.066 0.000 2.354 199 A HA 0.511 4.831 4.320 -0.001 0.000 0.269 199 A C 0.027 177.734 177.584 0.205 0.000 1.109 199 A CA -0.216 51.889 52.037 0.113 0.000 0.800 199 A CB 0.266 19.321 19.000 0.091 0.000 1.045 199 A HN 0.952 nan 8.150 nan 0.000 0.489 200 D N 1.220 121.697 120.400 0.128 0.000 2.493 200 D HA 0.356 4.996 4.640 -0.001 0.000 0.240 200 D C 1.334 177.681 176.300 0.079 0.000 1.142 200 D CA 1.965 56.027 54.000 0.102 0.000 0.872 200 D CB 0.214 41.047 40.800 0.054 0.000 1.173 200 D HN 1.260 nan 8.370 nan 0.000 0.467 201 G N 3.771 112.581 108.800 0.017 0.000 2.143 201 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.248 201 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.248 201 G C 1.023 175.902 174.900 -0.035 0.000 0.991 201 G CA 0.470 45.539 45.100 -0.051 0.000 0.689 201 G HN 0.708 nan 8.290 nan 0.000 0.522 202 W N -0.038 121.239 121.300 -0.039 0.000 2.374 202 W HA -0.079 4.581 4.660 -0.000 0.000 0.288 202 W C 1.450 177.920 176.519 -0.082 0.000 1.218 202 W CA 1.374 58.691 57.345 -0.047 0.000 1.245 202 W CB -0.684 28.752 29.460 -0.040 0.000 1.126 202 W HN 0.402 nan 8.180 nan 0.000 0.545 203 Q N 1.459 120.634 119.800 -1.042 0.000 2.084 203 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 203 Q C 2.333 178.089 176.000 -0.407 0.000 0.978 203 Q CA 2.481 57.577 55.803 -1.179 0.000 0.844 203 Q CB -0.577 27.444 28.738 -1.194 0.000 0.898 203 Q HN 0.338 nan 8.270 nan 0.000 0.426 204 K N 0.240 120.502 120.400 -0.230 0.000 2.057 204 K HA -0.132 4.187 4.320 -0.001 0.000 0.207 204 K C 2.001 178.609 176.600 0.013 0.000 1.049 204 K CA 1.191 57.438 56.287 -0.066 0.000 0.931 204 K CB -0.199 32.269 32.500 -0.053 0.000 0.714 204 K HN 0.214 nan 8.250 nan 0.000 0.440 205 A N 1.108 123.947 122.820 0.030 0.000 1.908 205 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 205 A C 2.338 180.026 177.584 0.173 0.000 1.181 205 A CA 1.956 54.047 52.037 0.091 0.000 0.627 205 A CB -0.856 18.202 19.000 0.098 0.000 0.818 205 A HN 0.497 nan 8.150 nan 0.000 0.445 206 A N -0.019 122.946 122.820 0.242 0.000 1.933 206 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 206 A C 1.737 179.584 177.584 0.438 0.000 1.175 206 A CA 1.903 54.223 52.037 0.470 0.000 0.628 206 A CB -0.567 18.753 19.000 0.534 0.000 0.814 206 A HN 0.473 nan 8.150 nan 0.000 0.444 207 D N -0.360 120.202 120.400 0.270 0.000 2.144 207 D HA -0.141 4.498 4.640 -0.001 0.000 0.199 207 D C 2.157 178.567 176.300 0.183 0.000 0.984 207 D CA 1.389 55.511 54.000 0.202 0.000 0.834 207 D CB -0.450 40.427 40.800 0.128 0.000 0.955 207 D HN 0.625 nan 8.370 nan 0.000 0.465 208 Q N 0.320 120.216 119.800 0.161 0.000 2.084 208 Q HA -0.087 4.253 4.340 -0.001 0.000 0.202 208 Q C 2.216 178.329 176.000 0.189 0.000 0.978 208 Q CA 1.424 57.310 55.803 0.139 0.000 0.844 208 Q CB -0.124 28.672 28.738 0.095 0.000 0.898 208 Q HN 0.234 nan 8.270 nan 0.000 0.426 209 A N 1.067 124.047 122.820 0.267 0.000 1.902 209 A HA -0.147 4.173 4.320 -0.001 0.000 0.217 209 A C 2.291 180.170 177.584 0.491 0.000 1.181 209 A CA 1.626 53.873 52.037 0.350 0.000 0.623 209 A CB -0.789 18.448 19.000 0.397 0.000 0.818 209 A HN 0.408 nan 8.150 nan 0.000 0.443 210 A N -0.225 122.894 122.820 0.498 0.000 1.933 210 A HA 0.185 4.504 4.320 -0.001 0.000 0.218 210 A C 2.477 180.247 177.584 0.310 0.000 1.175 210 A CA 1.968 54.149 52.037 0.240 0.000 0.628 210 A CB -0.928 18.006 19.000 -0.110 0.000 0.814 210 A HN 1.038 nan 8.150 nan 0.000 0.444 211 A N -0.165 122.797 122.820 0.236 0.000 1.902 211 A HA -0.031 4.288 4.320 -0.001 0.000 0.217 211 A C 2.156 179.826 177.584 0.144 0.000 1.181 211 A CA 1.451 53.592 52.037 0.173 0.000 0.623 211 A CB -0.570 18.500 19.000 0.117 0.000 0.818 211 A HN 0.475 nan 8.150 nan 0.000 0.443 212 L N -1.138 120.183 121.223 0.163 0.000 2.046 212 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 212 L C 2.564 179.524 176.870 0.149 0.000 1.077 212 L CA 1.210 56.129 54.840 0.131 0.000 0.747 212 L CB -0.566 41.568 42.059 0.125 0.000 0.896 212 L HN 0.469 nan 8.230 nan 0.000 0.432 213 L N 0.407 121.778 121.223 0.246 0.000 2.046 213 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 213 L C 2.673 179.649 176.870 0.175 0.000 1.077 213 L CA 1.946 56.951 54.840 0.275 0.000 0.747 213 L CB -0.734 41.590 42.059 0.442 0.000 0.896 213 L HN 0.154 nan 8.230 nan 0.000 0.432 214 A N -0.734 122.165 122.820 0.131 0.000 1.927 214 A HA -0.226 4.094 4.320 -0.001 0.000 0.220 214 A C 2.123 179.609 177.584 -0.163 0.000 1.185 214 A CA 2.073 53.959 52.037 -0.253 0.000 0.639 214 A CB -0.546 18.277 19.000 -0.295 0.000 0.820 214 A HN 0.619 nan 8.150 nan 0.000 0.451 215 E N -0.327 119.841 120.200 -0.055 0.000 2.385 215 E HA 0.223 4.573 4.350 -0.001 0.000 0.194 215 E C 0.902 177.482 176.600 -0.035 0.000 1.013 215 E CA 0.549 56.920 56.400 -0.047 0.000 0.866 215 E CB -0.294 29.395 29.700 -0.018 0.000 0.832 215 E HN 0.559 nan 8.360 nan 0.000 0.500 216 A N 1.868 124.684 122.820 -0.007 0.000 2.440 216 A HA 0.066 4.386 4.320 -0.001 0.000 0.251 216 A C 1.243 178.795 177.584 -0.054 0.000 1.089 216 A CA -0.003 52.032 52.037 -0.004 0.000 0.779 216 A CB 0.676 19.703 19.000 0.043 0.000 1.022 216 A HN 0.021 nan 8.150 nan 0.000 0.492 217 K N 0.415 120.748 120.400 -0.112 0.000 2.098 217 K HA -0.012 4.307 4.320 -0.001 0.000 0.203 217 K C -0.246 176.121 176.600 -0.389 0.000 1.051 217 K CA 0.880 56.991 56.287 -0.293 0.000 0.957 217 K CB 0.038 32.304 32.500 -0.390 0.000 0.738 217 K HN 0.833 nan 8.250 nan 0.000 0.447 218 H N 0.979 120.066 119.070 0.029 0.000 2.448 218 H HA 0.297 4.853 4.556 -0.001 0.000 0.237 218 H C -2.605 172.722 175.328 -0.001 0.000 1.391 218 H CA -2.373 53.691 56.048 0.026 0.000 1.477 218 H CB 1.174 30.925 29.762 -0.017 0.000 1.520 218 H HN 0.249 nan 8.280 nan 0.000 0.502 219 P HA 0.166 nan 4.420 nan 0.000 0.276 219 P C 0.021 177.366 177.300 0.074 0.000 1.244 219 P CA -0.440 62.713 63.100 0.088 0.000 0.801 219 P CB 2.175 33.941 31.700 0.111 0.000 1.006 220 V N -0.735 119.203 119.914 0.040 0.000 2.962 220 V HA 0.572 4.692 4.120 -0.001 0.000 0.313 220 V C -0.708 175.387 176.094 0.002 0.000 1.099 220 V CA -1.172 61.143 62.300 0.024 0.000 0.971 220 V CB 1.836 33.698 31.823 0.064 0.000 1.028 220 V HN 0.259 nan 8.190 nan 0.000 0.430 221 L N 3.276 124.494 121.223 -0.007 0.000 2.272 221 L HA 0.616 4.956 4.340 -0.001 0.000 0.289 221 L C -0.552 176.320 176.870 0.003 0.000 1.032 221 L CA -0.724 54.110 54.840 -0.011 0.000 0.810 221 L CB 1.709 43.768 42.059 -0.001 0.000 1.205 221 L HN 0.542 nan 8.230 nan 0.000 0.422 222 V N 4.981 124.890 119.914 -0.008 0.000 2.333 222 V HA 0.293 4.413 4.120 -0.001 0.000 0.274 222 V C 0.123 176.245 176.094 0.047 0.000 1.028 222 V CA -0.512 61.813 62.300 0.043 0.000 0.851 222 V CB 1.723 33.560 31.823 0.024 0.000 1.000 222 V HN 0.419 nan 8.190 nan 0.000 0.456 223 V N 4.651 124.597 119.914 0.053 0.000 2.398 223 V HA 0.784 4.904 4.120 -0.001 0.000 0.286 223 V C 0.772 176.891 176.094 0.042 0.000 1.026 223 V CA -0.165 62.156 62.300 0.036 0.000 0.868 223 V CB 1.550 33.380 31.823 0.011 0.000 0.982 223 V HN 0.883 nan 8.190 nan 0.000 0.443 224 G N 2.238 111.058 108.800 0.034 0.000 2.552 224 G HA2 0.569 4.529 3.960 -0.001 0.000 0.324 224 G HA3 0.569 4.529 3.960 -0.001 0.000 0.324 224 G C 0.899 175.814 174.900 0.024 0.000 1.217 224 G CA -0.020 45.090 45.100 0.017 0.000 0.989 224 G HN 0.897 nan 8.290 nan 0.000 0.490 225 A N -0.258 122.592 122.820 0.050 0.000 1.978 225 A HA 0.111 4.431 4.320 -0.001 0.000 0.220 225 A C 2.639 180.283 177.584 0.099 0.000 1.170 225 A CA 2.550 54.661 52.037 0.122 0.000 0.636 225 A CB -0.721 18.404 19.000 0.209 0.000 0.810 225 A HN 1.372 nan 8.150 nan 0.000 0.448 226 A N -0.205 122.645 122.820 0.051 0.000 1.972 226 A HA 0.150 4.470 4.320 -0.001 0.000 0.219 226 A C 2.438 180.037 177.584 0.026 0.000 1.169 226 A CA 1.914 53.973 52.037 0.036 0.000 0.635 226 A CB -0.850 18.158 19.000 0.012 0.000 0.810 226 A HN 1.061 nan 8.150 nan 0.000 0.446 227 A N 0.046 122.876 122.820 0.016 0.000 1.933 227 A HA -0.075 4.245 4.320 -0.001 0.000 0.218 227 A C 2.072 179.653 177.584 -0.005 0.000 1.175 227 A CA 1.517 53.557 52.037 0.006 0.000 0.628 227 A CB -0.562 18.439 19.000 0.001 0.000 0.814 227 A HN 0.519 nan 8.150 nan 0.000 0.444 228 I N -0.962 119.597 120.570 -0.019 0.000 2.252 228 I HA -0.232 3.938 4.170 -0.001 0.000 0.245 228 I C 2.672 178.808 176.117 0.032 0.000 1.102 228 I CA 1.167 62.432 61.300 -0.058 0.000 1.385 228 I CB -0.363 37.489 38.000 -0.247 0.000 1.064 228 I HN 0.242 nan 8.210 nan 0.000 0.414 229 R N 0.062 120.617 120.500 0.091 0.000 2.120 229 R HA -0.139 4.201 4.340 -0.001 0.000 0.234 229 R C 2.403 178.733 176.300 0.050 0.000 1.123 229 R CA 1.489 57.646 56.100 0.095 0.000 0.975 229 R CB -0.442 29.912 30.300 0.090 0.000 0.866 229 R HN 0.244 nan 8.270 nan 0.000 0.446 230 S N -0.471 115.247 115.700 0.030 0.000 2.515 230 S HA 0.004 4.474 4.470 -0.001 0.000 0.231 230 S C 1.132 175.741 174.600 0.016 0.000 0.987 230 S CA 0.836 59.045 58.200 0.015 0.000 0.936 230 S CB -0.029 63.174 63.200 0.005 0.000 0.766 230 S HN 0.634 nan 8.310 nan 0.000 0.528 231 G N 0.225 109.036 108.800 0.017 0.000 2.160 231 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.244 231 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.244 231 G C 0.484 175.388 174.900 0.006 0.000 1.022 231 G CA 0.222 45.329 45.100 0.012 0.000 0.741 231 G HN 0.923 nan 8.290 nan 0.000 0.508 232 A N -0.917 121.905 122.820 0.003 0.000 2.308 232 A HA 0.618 4.938 4.320 -0.001 0.000 0.217 232 A C 2.217 179.800 177.584 -0.003 0.000 1.216 232 A CA 1.397 53.439 52.037 0.009 0.000 0.864 232 A CB 0.139 19.153 19.000 0.024 0.000 0.902 232 A HN 0.928 nan 8.150 nan 0.000 0.499 233 V N 1.117 121.017 119.914 -0.022 0.000 2.233 233 V HA -0.170 3.949 4.120 -0.001 0.000 0.247 233 V C -0.069 176.011 176.094 -0.025 0.000 1.050 233 V CA 2.670 64.947 62.300 -0.038 0.000 1.010 233 V CB -1.421 30.362 31.823 -0.067 0.000 0.637 233 V HN 0.378 nan 8.190 nan 0.000 0.444 234 P HA -0.150 nan 4.420 nan 0.000 0.216 234 P C 1.653 178.954 177.300 0.002 0.000 1.150 234 P CA 2.010 65.107 63.100 -0.005 0.000 0.837 234 P CB -0.165 31.536 31.700 0.001 0.000 0.786 235 A N -0.785 122.038 122.820 0.006 0.000 1.898 235 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 235 A C 2.206 179.800 177.584 0.017 0.000 1.181 235 A CA 1.404 53.449 52.037 0.013 0.000 0.620 235 A CB -1.578 17.433 19.000 0.018 0.000 0.819 235 A HN 0.109 nan 8.150 nan 0.000 0.442 236 I N -0.915 119.664 120.570 0.015 0.000 2.179 236 I HA -0.257 3.913 4.170 -0.001 0.000 0.242 236 I C 2.685 178.803 176.117 0.002 0.000 1.088 236 I CA 1.717 63.028 61.300 0.018 0.000 1.357 236 I CB -0.298 37.707 38.000 0.009 0.000 1.051 236 I HN 0.383 nan 8.210 nan 0.000 0.409 237 R N 1.301 121.789 120.500 -0.019 0.000 2.083 237 R HA -0.214 4.125 4.340 -0.001 0.000 0.237 237 R C 2.348 178.652 176.300 0.007 0.000 1.137 237 R CA 1.812 57.890 56.100 -0.036 0.000 0.951 237 R CB -0.314 29.959 30.300 -0.046 0.000 0.851 237 R HN 0.361 nan 8.270 nan 0.000 0.434 238 A N 1.062 123.893 122.820 0.018 0.000 1.902 238 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 238 A C 2.063 179.666 177.584 0.032 0.000 1.181 238 A CA 1.315 53.369 52.037 0.028 0.000 0.623 238 A CB -0.611 18.400 19.000 0.019 0.000 0.818 238 A HN 0.417 nan 8.150 nan 0.000 0.443 239 L N -0.212 121.031 121.223 0.034 0.000 1.994 239 L HA -0.073 4.266 4.340 -0.001 0.000 0.208 239 L C 2.683 179.590 176.870 0.062 0.000 1.071 239 L CA 2.340 57.210 54.840 0.051 0.000 0.745 239 L CB -0.748 41.361 42.059 0.083 0.000 0.892 239 L HN 0.328 nan 8.230 nan 0.000 0.431 240 A N -0.823 122.027 122.820 0.051 0.000 1.902 240 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 240 A C 2.162 179.785 177.584 0.065 0.000 1.181 240 A CA 1.857 53.922 52.037 0.046 0.000 0.623 240 A CB -0.697 18.304 19.000 0.002 0.000 0.818 240 A HN 0.627 nan 8.150 nan 0.000 0.443 241 E N -0.898 119.349 120.200 0.079 0.000 2.077 241 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 241 E C 2.316 178.960 176.600 0.074 0.000 0.989 241 E CA 1.229 57.693 56.400 0.107 0.000 0.800 241 E CB -0.162 29.613 29.700 0.125 0.000 0.746 241 E HN 0.611 nan 8.360 nan 0.000 0.452 242 R N 0.714 121.248 120.500 0.057 0.000 2.066 242 R HA -0.076 4.264 4.340 -0.001 0.000 0.232 242 R C 1.926 178.260 176.300 0.056 0.000 1.131 242 R CA 1.073 57.200 56.100 0.045 0.000 0.955 242 R CB -0.003 30.313 30.300 0.027 0.000 0.851 242 R HN 0.153 nan 8.270 nan 0.000 0.432 243 L N 0.510 121.773 121.223 0.067 0.000 2.592 243 L HA 0.115 4.455 4.340 -0.001 0.000 0.227 243 L C 0.198 177.119 176.870 0.085 0.000 1.127 243 L CA -0.129 54.763 54.840 0.086 0.000 0.884 243 L CB -0.105 42.020 42.059 0.110 0.000 1.065 243 L HN 0.335 nan 8.230 nan 0.000 0.457 244 N N 1.270 120.015 118.700 0.076 0.000 2.738 244 N HA -0.217 4.523 4.740 -0.001 0.000 0.249 244 N C -0.601 174.945 175.510 0.061 0.000 1.047 244 N CA 0.438 53.532 53.050 0.073 0.000 0.707 244 N CB -1.223 37.309 38.487 0.075 0.000 0.937 244 N HN 0.328 nan 8.380 nan 0.000 0.545 245 I N 0.537 121.134 120.570 0.045 0.000 2.312 245 I HA 0.343 4.512 4.170 -0.001 0.000 0.290 245 I C -1.859 174.206 176.117 -0.088 0.000 1.008 245 I CA -2.097 59.213 61.300 0.016 0.000 1.226 245 I CB 1.365 39.401 38.000 0.060 0.000 1.371 245 I HN 0.006 nan 8.210 nan 0.000 0.468 246 P HA 0.017 nan 4.420 nan 0.000 0.266 246 P C -0.734 176.382 177.300 -0.307 0.000 1.195 246 P CA -0.032 62.716 63.100 -0.586 0.000 0.768 246 P CB 0.572 31.538 31.700 -1.225 0.000 0.838 247 V N 5.334 125.106 119.914 -0.236 0.000 2.384 247 V HA 0.380 4.500 4.120 -0.001 0.000 0.287 247 V C 0.366 176.447 176.094 -0.022 0.000 1.020 247 V CA -0.280 61.964 62.300 -0.093 0.000 0.850 247 V CB 0.956 32.732 31.823 -0.078 0.000 0.987 247 V HN 0.389 nan 8.190 nan 0.000 0.436 248 I N 4.403 124.987 120.570 0.023 0.000 2.530 248 I HA 0.651 4.820 4.170 -0.001 0.000 0.297 248 I C 0.308 176.484 176.117 0.098 0.000 1.011 248 I CA -0.247 61.104 61.300 0.085 0.000 1.107 248 I CB 2.552 40.623 38.000 0.118 0.000 1.285 248 I HN 0.742 nan 8.210 nan 0.000 0.436 249 T N 0.128 114.748 114.554 0.110 0.000 2.916 249 T HA 0.579 4.929 4.350 -0.001 0.000 0.292 249 T C 0.066 174.850 174.700 0.140 0.000 1.064 249 T CA -0.698 61.465 62.100 0.106 0.000 1.011 249 T CB 1.708 70.625 68.868 0.082 0.000 1.152 249 T HN 0.663 nan 8.240 nan 0.000 0.510 250 T N -0.139 114.479 114.554 0.107 0.000 0.000 250 T HA 0.234 4.584 4.350 -0.001 0.000 0.000 250 T C 0.942 175.761 174.700 0.199 0.000 0.000 250 T CA -0.411 61.730 62.100 0.067 0.000 0.000 250 T CB -0.110 68.728 68.868 -0.050 0.000 0.000 250 T HN 0.543 nan 8.240 nan 0.000 0.000 251 Y N 0.689 121.069 120.300 0.134 0.000 2.097 251 Y HA -0.033 4.517 4.550 -0.000 0.000 0.282 251 Y C 2.443 178.510 175.900 0.278 0.000 1.152 251 Y CA 1.021 59.243 58.100 0.204 0.000 1.136 251 Y CB -1.324 37.252 38.460 0.193 0.000 0.975 251 Y HN 0.688 nan 8.280 nan 0.000 0.498 252 I N -2.616 118.172 120.570 0.363 0.000 3.793 252 I HA 0.388 4.557 4.170 -0.001 0.000 0.315 252 I C 1.711 178.002 176.117 0.290 0.000 1.275 252 I CA 0.853 62.368 61.300 0.358 0.000 1.214 252 I CB -0.311 37.890 38.000 0.336 0.000 1.018 252 I HN 0.023 nan 8.210 nan 0.000 0.439 253 A N 1.010 123.938 122.820 0.180 0.000 2.251 253 A HA 0.199 4.519 4.320 -0.001 0.000 0.209 253 A C 0.950 178.567 177.584 0.055 0.000 1.187 253 A CA -0.223 51.849 52.037 0.057 0.000 0.823 253 A CB -0.335 18.689 19.000 0.040 0.000 0.846 253 A HN 0.374 nan 8.150 nan 0.000 0.486 254 K N -0.379 120.101 120.400 0.133 0.000 2.524 254 K HA 0.287 4.607 4.320 -0.001 0.000 0.279 254 K C 1.164 177.805 176.600 0.067 0.000 0.993 254 K CA 0.980 57.332 56.287 0.107 0.000 1.030 254 K CB 0.075 32.667 32.500 0.153 0.000 0.891 254 K HN 0.604 nan 8.250 nan 0.000 0.488 255 G N 0.805 109.623 108.800 0.030 0.000 2.176 255 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.232 255 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.232 255 G C 0.720 175.596 174.900 -0.041 0.000 0.986 255 G CA 0.185 45.289 45.100 0.007 0.000 0.643 255 G HN 0.535 nan 8.290 nan 0.000 0.522 256 V N -1.632 118.246 119.914 -0.061 0.000 2.720 256 V HA 0.377 4.496 4.120 -0.001 0.000 0.256 256 V C 1.271 177.312 176.094 -0.089 0.000 1.082 256 V CA 1.576 63.825 62.300 -0.085 0.000 1.101 256 V CB -0.356 31.418 31.823 -0.082 0.000 0.693 256 V HN 0.457 nan 8.190 nan 0.000 0.479 257 L N 0.391 121.560 121.223 -0.089 0.000 2.354 257 L HA 0.591 4.930 4.340 -0.001 0.000 0.269 257 L C -2.547 174.306 176.870 -0.028 0.000 1.005 257 L CA -2.229 52.531 54.840 -0.132 0.000 0.819 257 L CB 2.177 44.071 42.059 -0.276 0.000 1.311 257 L HN -0.034 nan 8.230 nan 0.000 0.423 258 P HA 0.050 nan 4.420 nan 0.000 0.272 258 P C -0.553 176.800 177.300 0.087 0.000 1.230 258 P CA -0.399 62.741 63.100 0.068 0.000 0.788 258 P CB 0.469 32.227 31.700 0.098 0.000 0.949 259 V N 1.725 121.678 119.914 0.066 0.000 2.617 259 V HA 0.218 4.337 4.120 -0.001 0.000 0.304 259 V C 1.737 177.875 176.094 0.073 0.000 1.040 259 V CA 2.016 64.353 62.300 0.063 0.000 1.149 259 V CB -0.604 31.248 31.823 0.049 0.000 0.914 259 V HN 1.054 nan 8.190 nan 0.000 0.487 260 G N 2.699 111.543 108.800 0.074 0.000 2.217 260 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.246 260 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.246 260 G C 0.361 175.309 174.900 0.080 0.000 0.990 260 G CA 0.238 45.374 45.100 0.060 0.000 0.627 260 G HN 0.924 nan 8.290 nan 0.000 0.522 261 H N 2.324 121.411 119.070 0.029 0.000 2.964 261 H HA 0.165 4.721 4.556 -0.001 0.000 0.328 261 H C 1.956 177.317 175.328 0.055 0.000 1.030 261 H CA 1.113 57.183 56.048 0.037 0.000 1.445 261 H CB 0.702 30.485 29.762 0.036 0.000 1.449 261 H HN 0.684 nan 8.280 nan 0.000 0.581 262 E N 4.254 124.480 120.200 0.043 0.000 2.209 262 E HA -0.153 4.197 4.350 -0.001 0.000 0.196 262 E C 1.072 177.868 176.600 0.326 0.000 0.993 262 E CA 1.053 57.532 56.400 0.132 0.000 0.819 262 E CB 0.017 29.736 29.700 0.032 0.000 0.745 262 E HN 0.606 nan 8.360 nan 0.000 0.477 263 L N 0.797 122.320 121.223 0.499 0.000 2.607 263 L HA 0.129 4.469 4.340 -0.001 0.000 0.228 263 L C 0.925 177.921 176.870 0.209 0.000 1.123 263 L CA -0.388 54.619 54.840 0.278 0.000 0.890 263 L CB -0.184 41.966 42.059 0.153 0.000 1.103 263 L HN 0.043 nan 8.230 nan 0.000 0.468 264 N N 0.227 119.087 118.700 0.267 0.000 2.466 264 N HA -0.078 4.662 4.740 -0.001 0.000 0.263 264 N C 0.325 175.998 175.510 0.271 0.000 1.178 264 N CA 0.181 53.336 53.050 0.176 0.000 0.983 264 N CB 0.215 38.777 38.487 0.125 0.000 1.331 264 N HN 0.051 nan 8.380 nan 0.000 0.500 265 Y N 1.748 122.029 120.300 -0.032 0.000 2.490 265 Y HA 0.257 4.806 4.550 -0.001 0.000 0.281 265 Y C 1.739 177.597 175.900 -0.070 0.000 1.174 265 Y CA 0.294 58.355 58.100 -0.067 0.000 1.295 265 Y CB -0.306 38.099 38.460 -0.091 0.000 1.062 265 Y HN 0.617 nan 8.280 nan 0.000 0.522 266 G N -0.033 108.819 108.800 0.086 0.000 2.710 266 G HA2 0.126 4.086 3.960 -0.001 0.000 0.668 266 G HA3 0.126 4.086 3.960 -0.001 0.000 0.668 266 G C -0.531 174.392 174.900 0.038 0.000 1.320 266 G CA -0.737 44.373 45.100 0.017 0.000 0.860 266 G HN 0.508 nan 8.290 nan 0.000 0.538 267 A N -1.124 121.706 122.820 0.016 0.000 2.279 267 A HA 0.832 5.152 4.320 -0.001 0.000 0.303 267 A C 0.287 177.931 177.584 0.100 0.000 1.108 267 A CA 0.075 52.162 52.037 0.083 0.000 0.830 267 A CB 1.515 20.575 19.000 0.099 0.000 1.106 267 A HN 1.878 nan 8.150 nan 0.000 0.493 268 V N 0.763 120.797 119.914 0.201 0.000 2.483 268 V HA 0.672 4.792 4.120 -0.001 0.000 0.295 268 V C 0.384 176.672 176.094 0.324 0.000 1.035 268 V CA -0.061 62.383 62.300 0.242 0.000 0.896 268 V CB 1.578 33.605 31.823 0.340 0.000 0.986 268 V HN 1.042 nan 8.190 nan 0.000 0.447 269 T N 2.377 117.091 114.554 0.267 0.000 2.912 269 T HA 0.500 4.849 4.350 -0.001 0.000 0.299 269 T C 1.153 175.984 174.700 0.219 0.000 1.052 269 T CA 0.242 62.560 62.100 0.364 0.000 0.996 269 T CB 1.689 70.765 68.868 0.346 0.000 1.070 269 T HN 0.823 nan 8.240 nan 0.000 0.465 270 G N 2.131 111.042 108.800 0.185 0.000 2.479 270 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.220 270 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.220 270 G C 0.202 175.060 174.900 -0.071 0.000 1.115 270 G CA 0.880 45.982 45.100 0.003 0.000 0.757 270 G HN 0.675 nan 8.290 nan 0.000 0.560 274 G N 1.044 109.534 108.800 -0.517 0.000 2.421 274 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.217 274 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.217 274 G C 1.604 176.263 174.900 -0.401 0.000 1.143 274 G CA 0.566 45.072 45.100 -0.991 0.000 0.784 274 G HN 0.283 nan 8.290 nan 0.000 0.541 275 I N 0.160 120.652 120.570 -0.130 0.000 2.286 275 I HA -0.032 4.137 4.170 -0.001 0.000 0.245 275 I C 2.325 178.371 176.117 -0.118 0.000 1.104 275 I CA 0.782 62.066 61.300 -0.027 0.000 1.397 275 I CB -0.020 37.770 38.000 -0.350 0.000 1.072 275 I HN 0.093 nan 8.210 nan 0.000 0.417 276 L N 0.022 121.113 121.223 -0.220 0.000 2.509 276 L HA 0.058 4.398 4.340 -0.001 0.000 0.222 276 L C 0.539 177.506 176.870 0.163 0.000 1.123 276 L CA -0.029 54.671 54.840 -0.233 0.000 0.856 276 L CB -0.514 41.370 42.059 -0.291 0.000 0.985 276 L HN 0.340 nan 8.230 nan 0.000 0.456 277 N N 0.750 119.523 118.700 0.122 0.000 2.669 277 N HA -0.305 4.435 4.740 -0.001 0.000 0.266 277 N C -0.827 174.807 175.510 0.206 0.000 1.024 277 N CA 0.514 53.644 53.050 0.132 0.000 0.766 277 N CB -0.935 37.653 38.487 0.168 0.000 0.898 277 N HN 0.281 nan 8.380 nan 0.000 0.548 278 F N 0.420 120.351 119.950 -0.031 0.000 2.641 278 F HA 0.482 5.009 4.527 -0.001 0.000 0.308 278 F C -2.253 173.520 175.800 -0.045 0.000 1.105 278 F CA -1.764 56.222 58.000 -0.023 0.000 0.964 278 F CB 1.758 40.745 39.000 -0.023 0.000 1.294 278 F HN 0.003 nan 8.300 nan 0.000 0.442 279 P HA 0.192 nan 4.420 nan 0.000 0.230 279 P C -0.167 177.125 177.300 -0.014 0.000 1.791 279 P CA 0.359 63.308 63.100 -0.252 0.000 1.020 279 P CB 0.408 31.901 31.700 -0.346 0.000 1.977 280 A N 2.438 125.393 122.820 0.225 0.000 1.872 280 A HA -0.098 4.222 4.320 -0.001 0.000 0.214 280 A C 2.098 179.771 177.584 0.148 0.000 1.187 280 A CA 1.004 53.211 52.037 0.283 0.000 0.614 280 A CB -1.083 18.012 19.000 0.158 0.000 0.826 280 A HN 0.335 nan 8.150 nan 0.000 0.442 281 L N -0.623 120.682 121.223 0.135 0.000 2.046 281 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 281 L C 2.927 179.937 176.870 0.233 0.000 1.077 281 L CA 1.185 56.157 54.840 0.220 0.000 0.747 281 L CB -0.510 41.671 42.059 0.204 0.000 0.896 281 L HN 0.396 nan 8.230 nan 0.000 0.432 282 Q N -0.298 119.582 119.800 0.134 0.000 2.050 282 Q HA -0.084 4.256 4.340 -0.001 0.000 0.202 282 Q C 1.156 177.219 176.000 0.105 0.000 0.980 282 Q CA 1.185 57.052 55.803 0.107 0.000 0.840 282 Q CB -0.621 28.134 28.738 0.028 0.000 0.898 282 Q HN 0.470 nan 8.270 nan 0.000 0.424 286 A N 1.527 124.464 122.820 0.195 0.000 1.873 286 A HA -0.131 4.189 4.320 -0.001 0.000 0.218 286 A C -0.470 177.159 177.584 0.075 0.000 1.193 286 A CA 2.509 54.620 52.037 0.123 0.000 0.629 286 A CB -1.925 17.128 19.000 0.088 0.000 0.826 286 A HN 0.242 nan 8.150 nan 0.000 0.447 287 P HA 0.155 nan 4.420 nan 0.000 0.249 287 P C -0.063 177.238 177.300 0.002 0.000 1.229 287 P CA 0.229 63.337 63.100 0.014 0.000 0.788 287 P CB -0.104 31.572 31.700 -0.040 0.000 1.072 288 V N 3.302 123.167 119.914 -0.081 0.000 2.572 288 V HA 0.010 4.130 4.120 -0.001 0.000 0.291 288 V C 1.482 177.606 176.094 0.050 0.000 1.039 288 V CA 0.762 63.029 62.300 -0.056 0.000 1.055 288 V CB 0.689 32.483 31.823 -0.049 0.000 0.969 288 V HN 0.171 nan 8.190 nan 0.000 0.482 289 D N 2.983 123.419 120.400 0.061 0.000 2.441 289 D HA 0.160 4.800 4.640 -0.001 0.000 0.210 289 D C -0.078 176.244 176.300 0.037 0.000 1.102 289 D CA -0.077 53.954 54.000 0.052 0.000 0.840 289 D CB 0.654 41.482 40.800 0.046 0.000 0.990 289 D HN 0.323 nan 8.370 nan 0.000 0.505 290 L N 1.025 122.264 121.223 0.027 0.000 2.476 290 L HA 0.462 4.801 4.340 -0.001 0.000 0.269 290 L C -1.742 175.103 176.870 -0.042 0.000 0.965 290 L CA -0.894 53.951 54.840 0.007 0.000 0.845 290 L CB 2.311 44.397 42.059 0.045 0.000 1.259 290 L HN -0.187 nan 8.230 nan 0.000 0.403 291 V N 6.433 126.264 119.914 -0.138 0.000 2.334 291 V HA 0.439 4.558 4.120 -0.001 0.000 0.281 291 V C -0.353 175.579 176.094 -0.270 0.000 1.016 291 V CA -0.394 61.733 62.300 -0.288 0.000 0.832 291 V CB 1.362 32.760 31.823 -0.709 0.000 0.999 291 V HN 0.553 nan 8.190 nan 0.000 0.439 292 L N 5.179 126.290 121.223 -0.186 0.000 2.264 292 L HA 0.415 4.755 4.340 -0.001 0.000 0.287 292 L C 0.811 177.569 176.870 -0.187 0.000 1.039 292 L CA -0.061 54.675 54.840 -0.173 0.000 0.829 292 L CB 1.384 43.375 42.059 -0.115 0.000 1.211 292 L HN 0.751 nan 8.230 nan 0.000 0.427 293 T N 0.363 114.790 114.554 -0.211 0.000 2.782 293 T HA 0.431 4.780 4.350 -0.001 0.000 0.298 293 T C 0.010 174.690 174.700 -0.033 0.000 0.944 293 T CA -0.683 61.353 62.100 -0.107 0.000 1.001 293 T CB 0.266 69.058 68.868 -0.127 0.000 0.932 293 T HN 0.143 nan 8.240 nan 0.000 0.524 294 V N 3.849 123.747 119.914 -0.027 0.000 2.353 294 V HA 0.598 4.717 4.120 -0.001 0.000 0.264 294 V C 1.367 177.464 176.094 0.004 0.000 1.049 294 V CA 0.081 62.350 62.300 -0.051 0.000 0.896 294 V CB 0.021 31.832 31.823 -0.021 0.000 1.025 294 V HN 1.300 nan 8.190 nan 0.000 0.475 295 G N 4.022 112.818 108.800 -0.007 0.000 2.256 295 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.272 295 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.272 295 G C -0.224 174.717 174.900 0.068 0.000 1.076 295 G CA -0.050 45.061 45.100 0.018 0.000 0.882 295 G HN 0.882 nan 8.290 nan 0.000 0.497 296 Y N 0.945 121.250 120.300 0.008 0.000 2.511 296 Y HA 0.462 5.012 4.550 -0.001 0.000 0.332 296 Y C 0.195 176.147 175.900 0.086 0.000 1.177 296 Y CA 0.286 58.429 58.100 0.071 0.000 1.422 296 Y CB 1.112 39.667 38.460 0.159 0.000 1.271 296 Y HN 0.237 nan 8.280 nan 0.000 0.550 297 D N 4.829 124.831 120.400 -0.663 0.000 2.616 297 D HA 0.030 4.670 4.640 -0.001 0.000 0.238 297 D C -0.051 175.893 176.300 -0.592 0.000 1.354 297 D CA -0.509 53.236 54.000 -0.425 0.000 0.970 297 D CB 0.382 41.068 40.800 -0.191 0.000 1.369 297 D HN 0.576 nan 8.370 nan 0.000 0.585 298 Y N 3.744 123.758 120.300 -0.477 0.000 2.241 298 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 298 Y C 1.970 177.762 175.900 -0.181 0.000 1.166 298 Y CA 2.260 60.223 58.100 -0.228 0.000 1.203 298 Y CB -0.245 38.232 38.460 0.028 0.000 0.977 298 Y HN 0.543 nan 8.280 nan 0.000 0.529 299 A N -0.040 122.700 122.820 -0.133 0.000 2.024 299 A HA -0.217 4.103 4.320 -0.001 0.000 0.220 299 A C 2.055 179.502 177.584 -0.229 0.000 1.164 299 A CA 1.787 53.718 52.037 -0.178 0.000 0.643 299 A CB -0.665 18.280 19.000 -0.093 0.000 0.806 299 A HN 0.627 nan 8.150 nan 0.000 0.451 300 E N -1.499 118.546 120.200 -0.259 0.000 2.409 300 E HA -0.114 4.236 4.350 -0.001 0.000 0.198 300 E C 0.170 176.526 176.600 -0.408 0.000 1.024 300 E CA 0.502 56.716 56.400 -0.310 0.000 0.861 300 E CB -0.068 29.463 29.700 -0.282 0.000 0.788 300 E HN 0.536 nan 8.360 nan 0.000 0.521 301 D N -0.541 119.655 120.400 -0.340 0.000 3.090 301 D HA -0.187 4.453 4.640 -0.001 0.000 0.215 301 D C -0.734 175.464 176.300 -0.171 0.000 1.140 301 D CA 0.359 54.190 54.000 -0.282 0.000 0.937 301 D CB -1.192 39.503 40.800 -0.175 0.000 1.108 301 D HN 0.171 nan 8.370 nan 0.000 0.420 302 L N 1.189 122.337 121.223 -0.126 0.000 2.282 302 L HA 0.344 4.684 4.340 -0.001 0.000 0.287 302 L C 0.530 177.488 176.870 0.147 0.000 1.075 302 L CA -0.379 54.494 54.840 0.056 0.000 0.839 302 L CB 0.131 42.277 42.059 0.145 0.000 1.219 302 L HN -0.055 nan 8.230 nan 0.000 0.434 303 R N 4.761 125.263 120.500 0.003 0.000 2.536 303 R HA 0.331 4.671 4.340 -0.001 0.000 0.279 303 R C -1.666 174.269 176.300 -0.609 0.000 1.001 303 R CA -1.709 54.343 56.100 -0.081 0.000 1.027 303 R CB 0.665 30.929 30.300 -0.060 0.000 1.096 303 R HN 0.376 nan 8.270 nan 0.000 0.502 304 P HA -0.210 nan 4.420 nan 0.000 0.216 304 P C 0.327 176.807 177.300 -1.367 0.000 1.150 304 P CA 1.256 63.162 63.100 -1.989 0.000 0.843 304 P CB 0.064 31.097 31.700 -1.113 0.000 0.787 308 Q N 2.977 122.595 119.800 -0.304 0.000 3.026 308 Q HA 0.228 4.568 4.340 -0.001 0.000 0.258 308 Q C -0.330 175.651 176.000 -0.032 0.000 1.388 308 Q CA 0.492 56.224 55.803 -0.119 0.000 1.000 308 Q CB 0.174 28.775 28.738 -0.229 0.000 1.634 308 Q HN -0.109 nan 8.270 nan 0.000 0.571 309 K N 0.329 120.765 120.400 0.061 0.000 2.422 309 K HA 0.605 4.925 4.320 -0.001 0.000 0.251 309 K C 0.419 177.079 176.600 0.100 0.000 0.933 309 K CA -0.109 56.231 56.287 0.087 0.000 0.798 309 K CB 2.024 34.619 32.500 0.159 0.000 1.238 309 K HN 0.468 nan 8.250 nan 0.000 0.428 310 G N 2.426 111.267 108.800 0.068 0.000 2.561 310 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.289 310 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.289 310 G C 0.237 175.171 174.900 0.057 0.000 1.169 310 G CA 0.186 45.324 45.100 0.062 0.000 0.980 310 G HN 0.792 nan 8.290 nan 0.000 0.550 311 I N -0.222 120.386 120.570 0.064 0.000 2.938 311 I HA 0.547 4.716 4.170 -0.001 0.000 0.285 311 I C 0.395 176.549 176.117 0.062 0.000 1.182 311 I CA -0.590 60.744 61.300 0.057 0.000 1.388 311 I CB 0.502 38.537 38.000 0.059 0.000 1.390 311 I HN 0.443 nan 8.210 nan 0.000 0.600 312 E N 3.778 124.008 120.200 0.051 0.000 2.392 312 E HA 0.221 4.570 4.350 -0.001 0.000 0.264 312 E C -0.832 175.805 176.600 0.061 0.000 1.024 312 E CA 0.117 56.549 56.400 0.053 0.000 0.903 312 E CB 0.845 30.569 29.700 0.040 0.000 0.963 312 E HN 0.502 nan 8.360 nan 0.000 0.432 313 K N 1.774 122.219 120.400 0.075 0.000 2.328 313 K HA 0.373 4.693 4.320 -0.001 0.000 0.246 313 K C -0.178 176.461 176.600 0.066 0.000 0.955 313 K CA -0.853 55.477 56.287 0.072 0.000 0.817 313 K CB 1.838 34.393 32.500 0.092 0.000 1.208 313 K HN 0.079 nan 8.250 nan 0.000 0.432 314 K N 1.236 121.663 120.400 0.044 0.000 2.098 314 K HA 0.382 4.702 4.320 -0.001 0.000 0.258 314 K C -0.304 176.305 176.600 0.015 0.000 0.973 314 K CA -0.481 55.830 56.287 0.039 0.000 0.898 314 K CB 1.735 34.255 32.500 0.035 0.000 1.057 314 K HN 0.841 nan 8.250 nan 0.000 0.447 315 T N -2.439 112.130 114.554 0.025 0.000 2.876 315 T HA 0.544 4.893 4.350 -0.001 0.000 0.289 315 T C -0.452 174.229 174.700 -0.032 0.000 1.014 315 T CA -0.848 61.247 62.100 -0.009 0.000 0.986 315 T CB 1.410 70.365 68.868 0.144 0.000 1.021 315 T HN 0.126 nan 8.240 nan 0.000 0.458 316 V N 2.556 122.421 119.914 -0.082 0.000 2.444 316 V HA 0.559 4.679 4.120 -0.001 0.000 0.294 316 V C 0.167 176.164 176.094 -0.161 0.000 1.022 316 V CA -0.965 61.263 62.300 -0.120 0.000 0.850 316 V CB 1.468 33.220 31.823 -0.119 0.000 0.992 316 V HN 0.975 nan 8.190 nan 0.000 0.426 317 R N 4.483 124.866 120.500 -0.195 0.000 2.265 317 R HA 0.707 5.047 4.340 -0.001 0.000 0.319 317 R C -1.437 174.716 176.300 -0.245 0.000 1.006 317 R CA -0.485 55.509 56.100 -0.177 0.000 0.880 317 R CB 0.907 31.039 30.300 -0.280 0.000 1.077 317 R HN 0.651 nan 8.270 nan 0.000 0.454 318 I N 2.735 123.149 120.570 -0.260 0.000 2.418 318 I HA 0.328 4.497 4.170 -0.001 0.000 0.287 318 I C -0.563 175.447 176.117 -0.177 0.000 1.008 318 I CA -0.088 60.991 61.300 -0.369 0.000 1.104 318 I CB 2.063 39.624 38.000 -0.731 0.000 1.264 318 I HN 0.543 nan 8.210 nan 0.000 0.438 319 S N 6.657 122.269 115.700 -0.146 0.000 2.542 319 S HA 0.527 4.997 4.470 -0.001 0.000 0.276 319 S C -2.644 171.900 174.600 -0.094 0.000 1.148 319 S CA -0.961 57.196 58.200 -0.072 0.000 0.886 319 S CB 2.001 65.204 63.200 0.005 0.000 1.109 319 S HN 0.377 nan 8.310 nan 0.000 0.458 320 P HA 0.177 nan 4.420 nan 0.000 0.259 320 P C -0.041 177.226 177.300 -0.054 0.000 1.480 320 P CA 0.183 63.232 63.100 -0.086 0.000 0.842 320 P CB -0.865 30.793 31.700 -0.070 0.000 1.513 321 T N -4.105 110.425 114.554 -0.040 0.000 2.900 321 T HA 0.398 4.748 4.350 -0.001 0.000 0.303 321 T C -0.309 174.379 174.700 -0.020 0.000 1.142 321 T CA -0.754 61.334 62.100 -0.020 0.000 1.007 321 T CB 1.341 70.209 68.868 0.000 0.000 1.156 321 T HN -0.241 nan 8.240 nan 0.000 0.490 322 V N 2.782 122.686 119.914 -0.016 0.000 2.843 322 V HA 0.214 4.334 4.120 -0.001 0.000 0.305 322 V C 1.043 177.130 176.094 -0.012 0.000 1.065 322 V CA -0.587 61.702 62.300 -0.019 0.000 1.116 322 V CB 0.480 32.294 31.823 -0.015 0.000 0.968 322 V HN 1.008 nan 8.190 nan 0.000 0.487 323 N N 6.380 125.063 118.700 -0.029 0.000 2.429 323 N HA 0.058 4.798 4.740 -0.001 0.000 0.271 323 N C -1.090 174.413 175.510 -0.012 0.000 1.272 323 N CA -1.327 51.709 53.050 -0.024 0.000 0.921 323 N CB 0.917 39.352 38.487 -0.087 0.000 1.128 323 N HN 0.417 nan 8.380 nan 0.000 0.481 324 P HA 0.061 nan 4.420 nan 0.000 0.240 324 P C 0.218 177.509 177.300 -0.014 0.000 1.190 324 P CA 0.649 63.754 63.100 0.008 0.000 0.781 324 P CB -0.014 31.706 31.700 0.034 0.000 0.931 325 I N -3.752 116.797 120.570 -0.036 0.000 2.998 325 I HA 0.406 4.575 4.170 -0.001 0.000 0.338 325 I C -1.912 174.149 176.117 -0.094 0.000 1.413 325 I CA -2.474 58.765 61.300 -0.101 0.000 0.880 325 I CB 1.101 38.941 38.000 -0.268 0.000 2.051 325 I HN -0.331 nan 8.210 nan 0.000 0.561 326 P HA -0.197 nan 4.420 nan 0.000 0.221 326 P C 1.521 178.784 177.300 -0.061 0.000 1.145 326 P CA 1.166 64.224 63.100 -0.070 0.000 0.795 326 P CB 0.105 31.768 31.700 -0.062 0.000 0.775 327 R N 0.134 120.595 120.500 -0.065 0.000 2.127 327 R HA -0.078 4.262 4.340 -0.001 0.000 0.238 327 R C 1.647 177.905 176.300 -0.070 0.000 1.134 327 R CA 1.403 57.468 56.100 -0.059 0.000 0.975 327 R CB -0.186 30.082 30.300 -0.054 0.000 0.865 327 R HN 0.080 nan 8.270 nan 0.000 0.447 328 V N -1.302 118.548 119.914 -0.106 0.000 2.908 328 V HA 0.055 4.175 4.120 -0.001 0.000 0.240 328 V C -0.167 175.900 176.094 -0.045 0.000 1.117 328 V CA 0.321 62.541 62.300 -0.133 0.000 1.133 328 V CB 0.172 31.798 31.823 -0.329 0.000 0.857 328 V HN 0.174 nan 8.190 nan 0.000 0.478 329 Y N 2.188 122.375 120.300 -0.190 0.000 2.332 329 Y HA 0.568 5.118 4.550 -0.000 0.000 0.326 329 Y C -0.152 175.691 175.900 -0.096 0.000 0.978 329 Y CA -1.936 56.080 58.100 -0.140 0.000 1.205 329 Y CB 0.876 39.242 38.460 -0.157 0.000 1.131 329 Y HN 0.042 nan 8.280 nan 0.000 0.462 330 R N 7.550 128.060 120.500 0.016 0.000 2.396 330 R HA 0.315 4.654 4.340 -0.001 0.000 0.292 330 R C -2.595 173.598 176.300 -0.177 0.000 1.240 330 R CA -1.693 54.327 56.100 -0.134 0.000 1.270 330 R CB 0.871 31.140 30.300 -0.053 0.000 1.108 330 R HN 0.476 nan 8.270 nan 0.000 0.573 331 P HA -0.008 nan 4.420 nan 0.000 0.269 331 P C -0.001 177.213 177.300 -0.143 0.000 1.209 331 P CA -0.120 62.779 63.100 -0.334 0.000 0.776 331 P CB 1.136 32.502 31.700 -0.557 0.000 0.876 332 D N 0.228 120.595 120.400 -0.055 0.000 2.117 332 D HA -0.044 4.595 4.640 -0.001 0.000 0.197 332 D C 0.409 176.684 176.300 -0.042 0.000 0.987 332 D CA 1.478 55.460 54.000 -0.029 0.000 0.829 332 D CB 0.234 41.036 40.800 0.004 0.000 0.961 332 D HN 0.130 nan 8.370 nan 0.000 0.460 333 V N 1.189 121.068 119.914 -0.057 0.000 2.531 333 V HA 0.203 4.322 4.120 -0.001 0.000 0.301 333 V C -0.699 175.329 176.094 -0.109 0.000 1.034 333 V CA -0.878 61.391 62.300 -0.052 0.000 0.865 333 V CB 2.335 34.157 31.823 -0.003 0.000 0.995 333 V HN -0.122 nan 8.190 nan 0.000 0.424 334 D N 3.430 123.768 120.400 -0.102 0.000 2.440 334 D HA 0.463 5.103 4.640 -0.001 0.000 0.239 334 D C -0.792 175.460 176.300 -0.079 0.000 1.084 334 D CA -0.154 53.766 54.000 -0.134 0.000 0.843 334 D CB 1.978 42.692 40.800 -0.144 0.000 1.097 334 D HN 0.275 nan 8.370 nan 0.000 0.531 335 V N 4.495 124.338 119.914 -0.118 0.000 2.294 335 V HA 0.246 4.365 4.120 -0.001 0.000 0.272 335 V C 0.280 176.311 176.094 -0.105 0.000 1.027 335 V CA -0.850 61.411 62.300 -0.064 0.000 0.823 335 V CB 1.315 33.055 31.823 -0.139 0.000 1.030 335 V HN 0.326 nan 8.190 nan 0.000 0.457 336 V N 4.904 124.792 119.914 -0.044 0.000 2.339 336 V HA 0.625 4.745 4.120 -0.001 0.000 0.261 336 V C 0.349 176.333 176.094 -0.183 0.000 1.058 336 V CA 0.477 62.722 62.300 -0.091 0.000 0.897 336 V CB 0.776 32.572 31.823 -0.046 0.000 1.052 336 V HN 0.999 nan 8.190 nan 0.000 0.480 337 T N 2.682 117.061 114.554 -0.293 0.000 2.686 337 T HA 0.208 4.558 4.350 -0.001 0.000 0.308 337 T C -1.574 172.907 174.700 -0.365 0.000 1.667 337 T CA -0.682 61.102 62.100 -0.527 0.000 0.987 337 T CB 1.670 69.835 68.868 -1.172 0.000 1.652 337 T HN 0.700 nan 8.240 nan 0.000 0.496 338 D N 0.830 121.005 120.400 -0.374 0.000 2.424 338 D HA 0.254 4.893 4.640 -0.001 0.000 0.244 338 D C 1.542 177.751 176.300 -0.151 0.000 1.134 338 D CA 0.156 54.032 54.000 -0.208 0.000 0.881 338 D CB 0.910 41.613 40.800 -0.161 0.000 1.191 338 D HN 0.249 nan 8.370 nan 0.000 0.445 339 V N 3.978 123.852 119.914 -0.067 0.000 2.287 339 V HA -0.223 3.897 4.120 -0.001 0.000 0.248 339 V C 2.230 178.370 176.094 0.077 0.000 1.053 339 V CA 1.465 63.773 62.300 0.013 0.000 1.027 339 V CB -0.725 31.104 31.823 0.010 0.000 0.646 339 V HN 0.615 nan 8.190 nan 0.000 0.447 340 L N 0.886 122.127 121.223 0.031 0.000 2.042 340 L HA -0.120 4.220 4.340 -0.001 0.000 0.210 340 L C 2.476 179.376 176.870 0.050 0.000 1.076 340 L CA 2.390 57.254 54.840 0.040 0.000 0.749 340 L CB -1.051 41.022 42.059 0.022 0.000 0.893 340 L HN 0.236 nan 8.230 nan 0.000 0.432 341 A N -0.825 122.001 122.820 0.011 0.000 1.908 341 A HA -0.300 4.019 4.320 -0.001 0.000 0.218 341 A C 2.286 179.954 177.584 0.141 0.000 1.181 341 A CA 2.036 54.091 52.037 0.031 0.000 0.627 341 A CB -1.257 17.655 19.000 -0.148 0.000 0.818 341 A HN 0.593 nan 8.150 nan 0.000 0.445 342 F N 0.956 120.861 119.950 -0.075 0.000 2.075 342 F HA -0.165 4.362 4.527 -0.001 0.000 0.297 342 F C 2.173 178.104 175.800 0.218 0.000 1.113 342 F CA 2.116 60.181 58.000 0.108 0.000 1.218 342 F CB -0.567 38.408 39.000 -0.041 0.000 0.984 342 F HN 0.019 nan 8.300 nan 0.000 0.472 343 V N 0.841 120.698 119.914 -0.096 0.000 2.332 343 V HA -0.306 3.814 4.120 -0.001 0.000 0.248 343 V C 2.303 178.353 176.094 -0.073 0.000 1.055 343 V CA 2.369 64.569 62.300 -0.168 0.000 1.038 343 V CB -0.867 30.968 31.823 0.020 0.000 0.651 343 V HN 0.397 nan 8.190 nan 0.000 0.450 344 E N -0.607 119.604 120.200 0.018 0.000 2.072 344 E HA -0.259 4.091 4.350 -0.001 0.000 0.191 344 E C 2.153 178.782 176.600 0.048 0.000 0.985 344 E CA 1.549 57.973 56.400 0.040 0.000 0.801 344 E CB -0.232 29.512 29.700 0.072 0.000 0.750 344 E HN 0.792 nan 8.360 nan 0.000 0.452 345 H N -0.422 118.674 119.070 0.044 0.000 2.357 345 H HA -0.130 4.425 4.556 -0.001 0.000 0.301 345 H C 1.785 177.078 175.328 -0.058 0.000 1.082 345 H CA 1.438 57.511 56.048 0.041 0.000 1.342 345 H CB -0.084 29.799 29.762 0.202 0.000 1.389 345 H HN 0.092 nan 8.280 nan 0.000 0.511 346 F N 1.455 121.251 119.950 -0.257 0.000 2.171 346 F HA -0.145 4.382 4.527 -0.001 0.000 0.300 346 F C 2.273 177.871 175.800 -0.337 0.000 1.090 346 F CA 1.402 59.167 58.000 -0.392 0.000 1.293 346 F CB -0.100 38.438 39.000 -0.771 0.000 1.013 346 F HN 0.225 nan 8.300 nan 0.000 0.486 347 E N -0.431 119.668 120.200 -0.169 0.000 2.058 347 E HA -0.183 4.167 4.350 -0.001 0.000 0.194 347 E C 2.215 178.649 176.600 -0.276 0.000 0.997 347 E CA 1.959 58.237 56.400 -0.204 0.000 0.801 347 E CB -0.709 28.930 29.700 -0.101 0.000 0.746 347 E HN 0.357 nan 8.360 nan 0.000 0.450 348 T N 1.143 115.536 114.554 -0.270 0.000 2.708 348 T HA -0.101 4.248 4.350 -0.001 0.000 0.266 348 T C 1.953 176.434 174.700 -0.365 0.000 1.037 348 T CA 1.481 63.410 62.100 -0.284 0.000 1.146 348 T CB -0.219 68.478 68.868 -0.284 0.000 0.865 348 T HN 0.266 nan 8.240 nan 0.000 0.435 349 A N 1.523 124.058 122.820 -0.475 0.000 1.972 349 A HA -0.071 4.249 4.320 -0.001 0.000 0.219 349 A C 2.335 179.508 177.584 -0.685 0.000 1.169 349 A CA 1.913 53.658 52.037 -0.487 0.000 0.635 349 A CB -0.749 17.995 19.000 -0.426 0.000 0.810 349 A HN 0.603 nan 8.150 nan 0.000 0.446 350 T N -4.267 109.743 114.554 -0.906 0.000 3.176 350 T HA 0.569 4.918 4.350 -0.001 0.000 0.263 350 T C 1.405 175.688 174.700 -0.695 0.000 1.021 350 T CA 0.743 61.998 62.100 -1.408 0.000 0.905 350 T CB 0.314 68.243 68.868 -1.565 0.000 1.057 350 T HN 0.439 nan 8.240 nan 0.000 0.558 351 A N 2.511 125.095 122.820 -0.393 0.000 1.948 351 A HA -0.084 4.235 4.320 -0.001 0.000 0.220 351 A C 2.607 180.150 177.584 -0.068 0.000 1.177 351 A CA 2.073 53.998 52.037 -0.188 0.000 0.636 351 A CB -1.067 17.845 19.000 -0.147 0.000 0.815 351 A HN 0.796 nan 8.150 nan 0.000 0.449 352 S N -1.420 114.280 115.700 0.002 0.000 2.489 352 S HA 0.152 4.622 4.470 -0.001 0.000 0.228 352 S C 0.314 175.053 174.600 0.232 0.000 0.995 352 S CA -0.329 57.938 58.200 0.111 0.000 0.934 352 S CB -0.452 62.817 63.200 0.115 0.000 0.771 352 S HN 0.155 nan 8.310 nan 0.000 0.522 353 F N 2.910 122.812 119.950 -0.080 0.000 2.518 353 F HA 0.606 5.133 4.527 -0.001 0.000 0.359 353 F C 1.428 177.201 175.800 -0.046 0.000 1.118 353 F CA -1.030 56.930 58.000 -0.068 0.000 1.287 353 F CB -0.170 38.776 39.000 -0.091 0.000 1.132 353 F HN 0.180 nan 8.300 nan 0.000 0.587 354 G N 0.586 109.453 108.800 0.112 0.000 2.535 354 G HA2 0.568 4.528 3.960 -0.001 0.000 0.303 354 G HA3 0.568 4.528 3.960 -0.001 0.000 0.303 354 G C -0.988 173.956 174.900 0.072 0.000 1.237 354 G CA -0.620 44.518 45.100 0.065 0.000 0.986 354 G HN 0.863 nan 8.290 nan 0.000 0.494 355 A N 0.379 123.232 122.820 0.055 0.000 2.401 355 A HA 0.519 4.839 4.320 -0.001 0.000 0.259 355 A C 0.603 178.217 177.584 0.050 0.000 1.103 355 A CA -0.343 51.730 52.037 0.060 0.000 0.789 355 A CB 0.345 19.377 19.000 0.054 0.000 1.035 355 A HN 0.461 nan 8.150 nan 0.000 0.491 356 K N 1.604 122.043 120.400 0.064 0.000 2.180 356 K HA 0.158 4.477 4.320 -0.001 0.000 0.251 356 K C -0.041 176.606 176.600 0.078 0.000 1.014 356 K CA 0.006 56.328 56.287 0.057 0.000 0.913 356 K CB 0.430 32.977 32.500 0.079 0.000 1.008 356 K HN 0.772 nan 8.250 nan 0.000 0.490 357 Q N 2.227 122.077 119.800 0.083 0.000 2.337 357 Q HA 0.105 4.445 4.340 -0.001 0.000 0.255 357 Q C 0.004 176.176 176.000 0.287 0.000 0.997 357 Q CA -0.323 55.568 55.803 0.147 0.000 0.925 357 Q CB 0.868 29.685 28.738 0.132 0.000 1.212 357 Q HN 0.378 nan 8.270 nan 0.000 0.436 358 R N 2.314 122.960 120.500 0.244 0.000 2.539 358 R HA 0.163 4.502 4.340 -0.001 0.000 0.275 358 R C 0.093 176.537 176.300 0.241 0.000 1.077 358 R CA -0.690 55.578 56.100 0.281 0.000 1.097 358 R CB 0.428 30.823 30.300 0.157 0.000 1.018 358 R HN 0.595 nan 8.270 nan 0.000 0.483 359 H N 0.154 119.216 119.070 -0.013 0.000 2.679 359 H HA 0.114 4.670 4.556 -0.001 0.000 0.369 359 H C -0.933 174.407 175.328 0.020 0.000 1.178 359 H CA -0.575 55.331 56.048 -0.237 0.000 1.419 359 H CB 0.718 30.215 29.762 -0.442 0.000 1.458 359 H HN 0.660 nan 8.280 nan 0.000 0.605 360 D N 1.952 122.302 120.400 -0.083 0.000 2.317 360 D HA 0.137 4.777 4.640 -0.001 0.000 0.234 360 D C 0.835 177.029 176.300 -0.177 0.000 1.112 360 D CA -0.634 53.295 54.000 -0.117 0.000 0.840 360 D CB 0.252 41.028 40.800 -0.040 0.000 1.078 360 D HN 0.685 nan 8.370 nan 0.000 0.486 361 I N 0.507 120.879 120.570 -0.331 0.000 3.936 361 I HA 0.275 4.445 4.170 -0.001 0.000 0.330 361 I C 1.019 176.988 176.117 -0.246 0.000 1.509 361 I CA -0.452 60.659 61.300 -0.316 0.000 1.126 361 I CB 0.559 38.239 38.000 -0.534 0.000 1.115 361 I HN 0.020 nan 8.210 nan 0.000 0.424 362 E N 2.346 122.437 120.200 -0.183 0.000 2.130 362 E HA -0.136 4.214 4.350 -0.001 0.000 0.196 362 E C -0.416 176.137 176.600 -0.079 0.000 0.998 362 E CA 1.552 57.876 56.400 -0.128 0.000 0.806 362 E CB -1.624 28.027 29.700 -0.082 0.000 0.738 362 E HN 0.496 nan 8.360 nan 0.000 0.459 363 P HA -0.132 nan 4.420 nan 0.000 0.216 363 P C 1.702 178.963 177.300 -0.065 0.000 1.150 363 P CA 0.747 63.900 63.100 0.088 0.000 0.837 363 P CB -0.033 31.820 31.700 0.255 0.000 0.786 364 L N -0.294 120.856 121.223 -0.123 0.000 2.056 364 L HA -0.052 4.287 4.340 -0.001 0.000 0.207 364 L C 2.295 178.942 176.870 -0.372 0.000 1.078 364 L CA 1.748 56.337 54.840 -0.418 0.000 0.749 364 L CB -0.933 41.023 42.059 -0.171 0.000 0.901 364 L HN -0.230 nan 8.230 nan 0.000 0.433 365 R N -0.417 119.936 120.500 -0.245 0.000 2.091 365 R HA -0.146 4.193 4.340 -0.001 0.000 0.238 365 R C 2.251 178.467 176.300 -0.140 0.000 1.136 365 R CA 1.375 57.365 56.100 -0.184 0.000 0.959 365 R CB -0.688 29.512 30.300 -0.167 0.000 0.856 365 R HN 0.546 nan 8.270 nan 0.000 0.437 366 A N 1.098 123.837 122.820 -0.136 0.000 1.877 366 A HA -0.213 4.106 4.320 -0.001 0.000 0.216 366 A C 2.128 179.656 177.584 -0.094 0.000 1.186 366 A CA 1.563 53.548 52.037 -0.086 0.000 0.620 366 A CB -0.397 18.573 19.000 -0.051 0.000 0.822 366 A HN 0.112 nan 8.150 nan 0.000 0.443 367 R N 0.224 120.586 120.500 -0.230 0.000 2.073 367 R HA -0.037 4.303 4.340 -0.001 0.000 0.234 367 R C 1.784 178.076 176.300 -0.013 0.000 1.134 367 R CA 1.873 57.844 56.100 -0.214 0.000 0.952 367 R CB -0.820 29.033 30.300 -0.745 0.000 0.850 367 R HN 0.574 nan 8.270 nan 0.000 0.433 368 I N 0.092 120.606 120.570 -0.093 0.000 2.226 368 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 368 I C 2.256 178.480 176.117 0.178 0.000 1.100 368 I CA 1.417 62.774 61.300 0.094 0.000 1.374 368 I CB -0.411 37.578 38.000 -0.019 0.000 1.057 368 I HN 0.292 nan 8.210 nan 0.000 0.413 369 A N 0.068 122.930 122.820 0.069 0.000 1.933 369 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 369 A C 2.304 179.924 177.584 0.060 0.000 1.175 369 A CA 1.805 53.877 52.037 0.058 0.000 0.628 369 A CB -0.609 18.401 19.000 0.018 0.000 0.814 369 A HN 0.504 nan 8.150 nan 0.000 0.444 370 E N -1.086 119.155 120.200 0.067 0.000 2.058 370 E HA -0.208 4.141 4.350 -0.001 0.000 0.194 370 E C 1.668 178.275 176.600 0.012 0.000 0.997 370 E CA 1.363 57.786 56.400 0.040 0.000 0.801 370 E CB -0.253 29.472 29.700 0.041 0.000 0.746 370 E HN 0.567 nan 8.360 nan 0.000 0.450 371 F N 0.926 120.793 119.950 -0.138 0.000 2.069 371 F HA -0.202 4.325 4.527 -0.001 0.000 0.298 371 F C 2.315 177.983 175.800 -0.220 0.000 1.113 371 F CA 1.274 59.078 58.000 -0.328 0.000 1.214 371 F CB -0.439 38.238 39.000 -0.537 0.000 0.978 371 F HN 0.059 nan 8.300 nan 0.000 0.474 372 L N -0.779 120.425 121.223 -0.032 0.000 2.079 372 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 372 L C 2.404 179.291 176.870 0.027 0.000 1.081 372 L CA 1.279 56.103 54.840 -0.027 0.000 0.752 372 L CB -0.867 41.203 42.059 0.017 0.000 0.896 372 L HN 0.141 nan 8.230 nan 0.000 0.433 373 A N -1.502 121.334 122.820 0.027 0.000 2.251 373 A HA -0.071 4.249 4.320 -0.001 0.000 0.209 373 A C 0.620 178.216 177.584 0.021 0.000 1.187 373 A CA -0.160 51.890 52.037 0.021 0.000 0.823 373 A CB -0.443 18.565 19.000 0.013 0.000 0.846 373 A HN 0.291 nan 8.150 nan 0.000 0.486 374 D N 1.242 121.666 120.400 0.040 0.000 2.660 374 D HA -0.034 4.606 4.640 -0.001 0.000 0.253 374 D C -1.489 174.838 176.300 0.045 0.000 1.256 374 D CA -0.749 53.283 54.000 0.054 0.000 0.914 374 D CB 0.867 41.774 40.800 0.178 0.000 1.137 374 D HN 0.233 nan 8.370 nan 0.000 0.542 375 P HA 0.058 nan 4.420 nan 0.000 0.261 375 P C 0.180 177.443 177.300 -0.061 0.000 1.268 375 P CA -0.080 63.008 63.100 -0.020 0.000 0.833 375 P CB 0.216 31.899 31.700 -0.028 0.000 1.231 376 E N 0.615 120.753 120.200 -0.103 0.000 2.392 376 E HA 0.128 4.477 4.350 -0.001 0.000 0.264 376 E C -0.510 175.901 176.600 -0.315 0.000 1.024 376 E CA 0.090 56.314 56.400 -0.294 0.000 0.903 376 E CB 0.341 29.712 29.700 -0.548 0.000 0.963 376 E HN -0.080 nan 8.360 nan 0.000 0.432 377 T N 4.296 118.664 114.554 -0.310 0.000 2.744 377 T HA 0.254 4.604 4.350 -0.001 0.000 0.291 377 T C -1.076 173.448 174.700 -0.294 0.000 0.957 377 T CA -0.228 61.757 62.100 -0.193 0.000 1.002 377 T CB 0.084 68.892 68.868 -0.100 0.000 0.919 377 T HN 0.269 nan 8.240 nan 0.000 0.468 378 Y N 1.111 121.385 120.300 -0.044 0.000 2.419 378 Y HA 0.287 4.837 4.550 -0.001 0.000 0.328 378 Y C 1.707 177.583 175.900 -0.040 0.000 1.162 378 Y CA -0.929 57.147 58.100 -0.040 0.000 1.174 378 Y CB 1.001 39.433 38.460 -0.047 0.000 1.228 378 Y HN 0.677 nan 8.280 nan 0.000 0.473 379 E N 0.472 120.740 120.200 0.115 0.000 2.152 379 E HA -0.128 4.221 4.350 -0.001 0.000 0.192 379 E C -0.247 176.377 176.600 0.040 0.000 0.983 379 E CA 1.172 57.602 56.400 0.050 0.000 0.818 379 E CB 0.069 29.788 29.700 0.033 0.000 0.758 379 E HN 0.619 nan 8.360 nan 0.000 0.467 380 D N 0.140 120.571 120.400 0.051 0.000 3.133 380 D HA 0.286 4.926 4.640 -0.001 0.000 0.288 380 D C 0.581 176.858 176.300 -0.037 0.000 1.346 380 D CA -0.067 53.932 54.000 -0.001 0.000 0.934 380 D CB 0.153 40.944 40.800 -0.014 0.000 1.042 380 D HN 0.136 nan 8.370 nan 0.000 0.506 384 V N 2.674 122.324 119.914 -0.441 0.000 2.407 384 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 384 V C 2.338 178.368 176.094 -0.106 0.000 1.055 384 V CA 2.356 64.478 62.300 -0.296 0.000 1.049 384 V CB -0.751 30.811 31.823 -0.436 0.000 0.662 384 V HN 0.709 nan 8.190 nan 0.000 0.455 385 H N 0.388 119.501 119.070 0.071 0.000 2.387 385 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 385 H C 2.028 177.293 175.328 -0.104 0.000 1.090 385 H CA 1.663 57.667 56.048 -0.074 0.000 1.332 385 H CB -0.485 29.122 29.762 -0.257 0.000 1.386 385 H HN 0.496 nan 8.280 nan 0.000 0.516 386 Q N 0.819 120.449 119.800 -0.283 0.000 2.119 386 Q HA -0.035 4.305 4.340 -0.001 0.000 0.201 386 Q C 2.775 178.727 176.000 -0.080 0.000 0.972 386 Q CA 1.316 57.038 55.803 -0.136 0.000 0.847 386 Q CB 0.156 28.797 28.738 -0.163 0.000 0.903 386 Q HN 0.263 nan 8.270 nan 0.000 0.433 387 V N 1.083 120.934 119.914 -0.105 0.000 2.295 387 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 387 V C 2.128 178.229 176.094 0.011 0.000 1.049 387 V CA 1.653 63.917 62.300 -0.060 0.000 1.024 387 V CB -0.439 31.328 31.823 -0.092 0.000 0.648 387 V HN 0.332 nan 8.190 nan 0.000 0.447 388 I N 0.373 120.978 120.570 0.058 0.000 2.226 388 I HA -0.250 3.920 4.170 -0.001 0.000 0.245 388 I C 2.343 178.528 176.117 0.115 0.000 1.100 388 I CA 2.016 63.396 61.300 0.132 0.000 1.374 388 I CB -0.458 37.676 38.000 0.225 0.000 1.057 388 I HN 0.382 nan 8.210 nan 0.000 0.413 389 D N 0.662 121.103 120.400 0.069 0.000 2.133 389 D HA -0.123 4.516 4.640 -0.001 0.000 0.195 389 D C 1.328 177.668 176.300 0.068 0.000 0.997 389 D CA 1.017 55.054 54.000 0.062 0.000 0.840 389 D CB 0.122 40.941 40.800 0.031 0.000 0.947 389 D HN 0.211 nan 8.370 nan 0.000 0.452 393 T N 2.291 116.914 114.554 0.114 0.000 2.684 393 T HA 0.006 4.356 4.350 -0.001 0.000 0.267 393 T C 1.284 176.050 174.700 0.111 0.000 1.036 393 T CA 1.211 63.365 62.100 0.091 0.000 1.148 393 T CB -0.037 68.874 68.868 0.071 0.000 0.863 393 T HN -0.037 nan 8.240 nan 0.000 0.436 397 E N 0.811 121.034 120.200 0.038 0.000 2.072 397 E HA -0.050 4.300 4.350 -0.001 0.000 0.191 397 E C 1.859 178.475 176.600 0.028 0.000 0.985 397 E CA 1.233 57.655 56.400 0.037 0.000 0.801 397 E CB 0.060 29.792 29.700 0.052 0.000 0.750 397 E HN 0.288 nan 8.360 nan 0.000 0.452 398 A N 1.223 124.061 122.820 0.029 0.000 1.970 398 A HA 0.245 4.565 4.320 -0.001 0.000 0.216 398 A C 1.337 178.911 177.584 -0.017 0.000 1.170 398 A CA 0.700 52.748 52.037 0.018 0.000 0.645 398 A CB -0.026 19.002 19.000 0.047 0.000 0.816 398 A HN 0.223 nan 8.150 nan 0.000 0.447 399 A N 0.558 123.352 122.820 -0.044 0.000 2.316 399 A HA 0.532 4.852 4.320 -0.001 0.000 0.284 399 A C -0.087 177.487 177.584 -0.018 0.000 1.115 399 A CA -0.609 51.401 52.037 -0.045 0.000 0.812 399 A CB 0.272 19.228 19.000 -0.073 0.000 1.064 399 A HN 0.330 nan 8.150 nan 0.000 0.489 400 E N 1.074 121.267 120.200 -0.011 0.000 2.418 400 E HA 0.180 4.530 4.350 -0.001 0.000 0.261 400 E C -2.276 174.324 176.600 -0.000 0.000 1.070 400 E CA -1.468 54.931 56.400 -0.002 0.000 0.931 400 E CB -0.360 29.341 29.700 0.001 0.000 0.954 400 E HN 0.336 nan 8.360 nan 0.000 0.439 401 P HA 0.007 nan 4.420 nan 0.000 0.264 401 P C 0.566 177.872 177.300 0.011 0.000 1.183 401 P CA 0.950 64.056 63.100 0.010 0.000 0.763 401 P CB 0.338 32.046 31.700 0.013 0.000 0.807 402 G N 1.111 109.919 108.800 0.014 0.000 2.155 402 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.257 402 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.257 402 G C -0.009 174.899 174.900 0.013 0.000 0.983 402 G CA -0.009 45.100 45.100 0.016 0.000 0.676 402 G HN 0.573 nan 8.290 nan 0.000 0.528 403 E N -1.151 119.052 120.200 0.005 0.000 2.393 403 E HA 0.656 5.006 4.350 -0.001 0.000 0.265 403 E C 0.391 176.980 176.600 -0.019 0.000 0.941 403 E CA -0.482 55.918 56.400 -0.001 0.000 0.801 403 E CB 1.995 31.693 29.700 -0.004 0.000 1.313 403 E HN 1.536 nan 8.360 nan 0.000 0.435 404 G N 0.200 108.982 108.800 -0.031 0.000 2.675 404 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.686 404 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.686 404 G C -0.856 174.023 174.900 -0.034 0.000 1.215 404 G CA -0.642 44.413 45.100 -0.076 0.000 0.777 404 G HN 0.402 nan 8.290 nan 0.000 0.638 405 T N 1.122 115.645 114.554 -0.051 0.000 2.928 405 T HA 0.623 4.973 4.350 -0.001 0.000 0.296 405 T C 0.191 174.907 174.700 0.027 0.000 1.000 405 T CA -0.478 61.633 62.100 0.018 0.000 0.989 405 T CB 1.479 70.365 68.868 0.030 0.000 1.005 405 T HN 0.678 nan 8.240 nan 0.000 0.442 406 I N 3.014 123.654 120.570 0.116 0.000 2.339 406 I HA 0.424 4.594 4.170 -0.001 0.000 0.290 406 I C -0.285 175.907 176.117 0.125 0.000 0.994 406 I CA -0.975 60.447 61.300 0.204 0.000 1.191 406 I CB 1.422 39.626 38.000 0.339 0.000 1.343 406 I HN 0.282 nan 8.210 nan 0.000 0.458 407 V N 5.024 124.997 119.914 0.099 0.000 2.472 407 V HA 0.379 4.498 4.120 -0.001 0.000 0.290 407 V C 0.132 176.268 176.094 0.069 0.000 1.037 407 V CA -0.369 61.935 62.300 0.006 0.000 0.908 407 V CB 1.717 33.556 31.823 0.027 0.000 0.985 407 V HN 0.768 nan 8.190 nan 0.000 0.454 408 S N 2.746 118.439 115.700 -0.012 0.000 2.519 408 S HA 0.352 4.821 4.470 -0.001 0.000 0.309 408 S C -0.432 174.322 174.600 0.255 0.000 1.100 408 S CA -0.697 57.611 58.200 0.181 0.000 1.059 408 S CB 1.290 64.587 63.200 0.161 0.000 1.008 408 S HN 0.886 nan 8.310 nan 0.000 0.478 409 D N 2.248 122.912 120.400 0.441 0.000 2.325 409 D HA 0.232 4.871 4.640 -0.001 0.000 0.262 409 D C -0.044 176.428 176.300 0.287 0.000 1.263 409 D CA -0.085 54.200 54.000 0.474 0.000 1.020 409 D CB 0.455 41.571 40.800 0.528 0.000 1.117 409 D HN 0.443 nan 8.370 nan 0.000 0.545 410 I N -0.581 120.157 120.570 0.281 0.000 2.493 410 I HA 0.614 4.783 4.170 -0.001 0.000 0.298 410 I C 1.001 177.162 176.117 0.073 0.000 0.998 410 I CA -0.316 60.990 61.300 0.010 0.000 1.137 410 I CB 0.517 38.567 38.000 0.083 0.000 1.310 410 I HN 0.603 nan 8.210 nan 0.000 0.445 411 G N 3.799 112.472 108.800 -0.212 0.000 2.343 411 G HA2 0.063 4.022 3.960 -0.001 0.000 0.289 411 G HA3 0.063 4.022 3.960 -0.001 0.000 0.289 411 G C -0.370 174.453 174.900 -0.128 0.000 1.295 411 G CA -0.631 44.481 45.100 0.020 0.000 0.869 411 G HN 0.314 nan 8.290 nan 0.000 0.522 412 F N 0.925 120.814 119.950 -0.101 0.000 2.134 412 F HA 0.058 4.585 4.527 -0.001 0.000 0.299 412 F C 2.574 178.347 175.800 -0.046 0.000 1.097 412 F CA 2.204 60.091 58.000 -0.189 0.000 1.264 412 F CB -0.571 38.191 39.000 -0.396 0.000 1.001 412 F HN 0.449 nan 8.300 nan 0.000 0.479 413 F N 0.284 120.256 119.950 0.036 0.000 2.250 413 F HA -0.095 4.431 4.527 -0.000 0.000 0.301 413 F C 2.328 178.176 175.800 0.080 0.000 1.077 413 F CA 1.426 59.452 58.000 0.043 0.000 1.348 413 F CB -1.254 37.815 39.000 0.115 0.000 1.040 413 F HN -0.109 nan 8.300 nan 0.000 0.509 414 R N 0.647 120.472 120.500 -1.126 0.000 2.096 414 R HA -0.177 4.162 4.340 -0.001 0.000 0.235 414 R C 2.024 177.997 176.300 -0.545 0.000 1.127 414 R CA 1.989 57.584 56.100 -0.843 0.000 0.968 414 R CB -0.964 28.745 30.300 -0.985 0.000 0.861 414 R HN 0.483 nan 8.270 nan 0.000 0.440 415 H N -1.203 117.634 119.070 -0.387 0.000 2.502 415 H HA -0.072 4.484 4.556 -0.001 0.000 0.283 415 H C 1.633 176.766 175.328 -0.326 0.000 1.015 415 H CA 0.947 56.755 56.048 -0.400 0.000 1.298 415 H CB -0.104 29.359 29.762 -0.498 0.000 1.411 415 H HN 0.239 nan 8.280 nan 0.000 0.556 416 Y N 0.925 121.108 120.300 -0.195 0.000 2.181 416 Y HA -0.123 4.426 4.550 -0.000 0.000 0.288 416 Y C 2.869 178.755 175.900 -0.023 0.000 1.146 416 Y CA 1.165 59.272 58.100 0.012 0.000 1.164 416 Y CB -0.705 37.917 38.460 0.270 0.000 0.982 416 Y HN 0.198 nan 8.280 nan 0.000 0.515 417 G N -0.352 108.519 108.800 0.118 0.000 2.446 417 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.217 417 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.217 417 G C 1.844 176.351 174.900 -0.655 0.000 1.168 417 G CA 1.538 46.604 45.100 -0.055 0.000 0.771 417 G HN 0.284 nan 8.290 nan 0.000 0.551 418 V N 0.942 120.523 119.914 -0.554 0.000 2.282 418 V HA -0.183 3.937 4.120 -0.001 0.000 0.249 418 V C 2.915 178.708 176.094 -0.501 0.000 1.057 418 V CA 1.789 63.747 62.300 -0.570 0.000 1.032 418 V CB -0.445 31.139 31.823 -0.399 0.000 0.645 418 V HN 0.359 nan 8.190 nan 0.000 0.447 419 L N -1.963 118.916 121.223 -0.574 0.000 2.131 419 L HA -0.024 4.316 4.340 -0.001 0.000 0.206 419 L C 2.088 178.545 176.870 -0.687 0.000 1.087 419 L CA 1.374 55.742 54.840 -0.786 0.000 0.767 419 L CB -0.283 40.952 42.059 -1.372 0.000 0.917 419 L HN 0.297 nan 8.230 nan 0.000 0.441 420 F N -0.627 119.219 119.950 -0.173 0.000 2.740 420 F HA 0.355 4.882 4.527 -0.000 0.000 0.304 420 F C 1.338 177.089 175.800 -0.082 0.000 1.098 420 F CA -0.801 57.151 58.000 -0.081 0.000 1.258 420 F CB -0.405 38.616 39.000 0.036 0.000 1.061 420 F HN -0.213 nan 8.300 nan 0.000 0.598 421 A N 1.751 124.539 122.820 -0.054 0.000 2.440 421 A HA 0.321 4.640 4.320 -0.001 0.000 0.251 421 A C 0.661 178.231 177.584 -0.024 0.000 1.089 421 A CA -0.420 51.597 52.037 -0.034 0.000 0.779 421 A CB 0.030 18.960 19.000 -0.116 0.000 1.022 421 A HN 0.315 nan 8.150 nan 0.000 0.492 422 R N 1.833 122.378 120.500 0.075 0.000 2.489 422 R HA 0.385 4.725 4.340 -0.001 0.000 0.287 422 R C -0.385 175.974 176.300 0.098 0.000 1.053 422 R CA 0.682 56.826 56.100 0.073 0.000 1.036 422 R CB 0.233 30.581 30.300 0.080 0.000 0.966 422 R HN 0.834 nan 8.270 nan 0.000 0.432 423 A N 4.136 127.005 122.820 0.081 0.000 2.411 423 A HA 0.203 4.522 4.320 -0.001 0.000 0.285 423 A C -0.851 176.773 177.584 0.066 0.000 1.129 423 A CA -0.734 51.367 52.037 0.107 0.000 0.736 423 A CB 1.504 20.594 19.000 0.149 0.000 1.186 423 A HN 0.847 nan 8.150 nan 0.000 0.445 424 D N 1.389 121.822 120.400 0.054 0.000 2.402 424 D HA 0.170 4.809 4.640 -0.001 0.000 0.216 424 D C 0.414 176.731 176.300 0.027 0.000 1.128 424 D CA 0.714 54.736 54.000 0.038 0.000 0.833 424 D CB 0.255 41.074 40.800 0.031 0.000 0.971 424 D HN 0.756 nan 8.370 nan 0.000 0.503 425 Q N -1.650 118.167 119.800 0.027 0.000 2.575 425 Q HA 0.506 4.846 4.340 -0.001 0.000 0.290 425 Q C -3.035 172.953 176.000 -0.020 0.000 0.963 425 Q CA -2.102 53.704 55.803 0.004 0.000 0.783 425 Q CB 1.297 30.045 28.738 0.017 0.000 1.467 425 Q HN -0.265 nan 8.270 nan 0.000 0.402 426 P HA 0.027 nan 4.420 nan 0.000 0.264 426 P C -0.852 176.335 177.300 -0.189 0.000 1.183 426 P CA 0.429 63.361 63.100 -0.280 0.000 0.763 426 P CB -0.064 31.378 31.700 -0.430 0.000 0.807 427 F N 0.722 120.710 119.950 0.064 0.000 3.084 427 F HA -0.195 4.332 4.527 -0.001 0.000 0.286 427 F C 1.661 177.498 175.800 0.062 0.000 0.855 427 F CA 1.125 59.160 58.000 0.058 0.000 1.091 427 F CB -2.642 36.377 39.000 0.033 0.000 1.177 427 F HN 0.479 nan 8.300 nan 0.000 0.542 428 G N -1.092 107.830 108.800 0.203 0.000 2.448 428 G HA2 0.016 3.975 3.960 -0.001 0.000 0.218 428 G HA3 0.016 3.975 3.960 -0.001 0.000 0.218 428 G C 0.223 175.266 174.900 0.239 0.000 1.135 428 G CA 0.632 45.834 45.100 0.169 0.000 0.784 428 G HN 0.355 nan 8.290 nan 0.000 0.543 429 F N 0.692 120.717 119.950 0.124 0.000 2.427 429 F HA 0.684 5.211 4.527 -0.001 0.000 0.348 429 F C -1.133 174.768 175.800 0.168 0.000 1.125 429 F CA -1.873 56.203 58.000 0.128 0.000 0.989 429 F CB 1.734 40.797 39.000 0.104 0.000 1.165 429 F HN -0.118 nan 8.300 nan 0.000 0.442 430 L N 6.390 127.351 121.223 -0.435 0.000 2.325 430 L HA 0.723 5.063 4.340 -0.001 0.000 0.281 430 L C -0.637 175.988 176.870 -0.407 0.000 1.004 430 L CA 0.195 54.874 54.840 -0.268 0.000 0.823 430 L CB 1.622 43.640 42.059 -0.068 0.000 1.236 430 L HN 0.743 nan 8.230 nan 0.000 0.415 431 T N 1.908 116.301 114.554 -0.268 0.000 2.787 431 T HA 0.420 4.770 4.350 -0.001 0.000 0.297 431 T C -1.300 173.195 174.700 -0.342 0.000 1.221 431 T CA -0.476 61.485 62.100 -0.231 0.000 1.006 431 T CB 1.666 70.332 68.868 -0.337 0.000 1.328 431 T HN 0.515 nan 8.240 nan 0.000 0.509 432 S N 1.121 116.348 115.700 -0.790 0.000 2.399 432 S HA 0.584 5.054 4.470 -0.001 0.000 0.301 432 S C 0.985 175.441 174.600 -0.239 0.000 1.093 432 S CA -0.010 57.764 58.200 -0.710 0.000 1.077 432 S CB 0.123 62.649 63.200 -1.125 0.000 0.980 432 S HN 0.785 nan 8.310 nan 0.000 0.494 433 A N 4.426 127.192 122.820 -0.089 0.000 1.984 433 A HA 0.317 4.637 4.320 -0.001 0.000 0.214 433 A C 1.876 179.418 177.584 -0.070 0.000 1.173 433 A CA 0.955 52.994 52.037 0.004 0.000 0.673 433 A CB -0.760 18.187 19.000 -0.087 0.000 0.830 433 A HN 0.834 nan 8.150 nan 0.000 0.453 434 G N -1.542 107.203 108.800 -0.091 0.000 2.437 434 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.212 434 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.212 434 G C 1.639 176.499 174.900 -0.067 0.000 1.174 434 G CA 1.102 46.150 45.100 -0.087 0.000 0.811 434 G HN 0.506 nan 8.290 nan 0.000 0.537 435 C N 0.103 119.366 119.300 -0.062 0.000 2.541 435 C HA 0.360 4.820 4.460 -0.001 0.000 0.284 435 C C 1.732 176.697 174.990 -0.042 0.000 1.341 435 C CA 1.248 60.244 59.018 -0.036 0.000 1.732 435 C CB -0.540 27.204 27.740 0.007 0.000 2.126 435 C HN 0.481 nan 8.230 nan 0.000 0.505 436 S N 1.339 116.989 115.700 -0.083 0.000 3.631 436 S HA -0.165 4.305 4.470 -0.001 0.000 0.366 436 S C 0.080 174.674 174.600 -0.010 0.000 0.993 436 S CA 0.686 58.838 58.200 -0.080 0.000 1.167 436 S CB -1.841 61.337 63.200 -0.037 0.000 0.909 436 S HN 0.870 nan 8.310 nan 0.000 0.478 437 S N 2.063 117.805 115.700 0.070 0.000 2.528 437 S HA 0.528 4.997 4.470 -0.001 0.000 0.277 437 S C 0.617 175.399 174.600 0.303 0.000 1.297 437 S CA -0.792 57.488 58.200 0.132 0.000 1.052 437 S CB -0.013 63.296 63.200 0.181 0.000 0.917 437 S HN 0.535 nan 8.310 nan 0.000 0.492 438 F N 3.591 123.566 119.950 0.042 0.000 2.545 438 F HA 0.523 5.050 4.527 -0.000 0.000 0.348 438 F C 1.284 177.139 175.800 0.092 0.000 1.163 438 F CA -0.865 57.195 58.000 0.100 0.000 1.331 438 F CB -1.157 37.903 39.000 0.100 0.000 1.138 438 F HN 0.842 nan 8.300 nan 0.000 0.602 439 G N 1.969 110.902 108.800 0.223 0.000 2.199 439 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.254 439 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.254 439 G C 0.754 175.910 174.900 0.426 0.000 0.982 439 G CA 0.437 45.629 45.100 0.153 0.000 0.632 439 G HN 1.056 nan 8.290 nan 0.000 0.529 440 Y N 1.687 122.207 120.300 0.366 0.000 2.256 440 Y HA 0.052 4.602 4.550 -0.001 0.000 0.288 440 Y C 2.518 178.463 175.900 0.076 0.000 1.155 440 Y CA 2.532 60.773 58.100 0.236 0.000 1.203 440 Y CB -0.482 38.096 38.460 0.198 0.000 0.980 440 Y HN 0.259 nan 8.280 nan 0.000 0.530 441 G N 0.846 109.755 108.800 0.181 0.000 2.514 441 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.217 441 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.217 441 G C 1.740 176.612 174.900 -0.047 0.000 1.198 441 G CA 1.520 46.677 45.100 0.096 0.000 0.780 441 G HN 0.489 nan 8.290 nan 0.000 0.565 442 I N 1.971 122.525 120.570 -0.026 0.000 2.099 442 I HA -0.141 4.029 4.170 -0.001 0.000 0.239 442 I C 0.115 176.135 176.117 -0.161 0.000 1.066 442 I CA 1.487 62.752 61.300 -0.060 0.000 1.324 442 I CB -0.979 36.973 38.000 -0.079 0.000 1.037 442 I HN 0.210 nan 8.210 nan 0.000 0.401 443 P HA -0.156 nan 4.420 nan 0.000 0.218 443 P C 1.331 178.369 177.300 -0.436 0.000 1.149 443 P CA 1.906 64.785 63.100 -0.368 0.000 0.817 443 P CB -0.046 31.347 31.700 -0.511 0.000 0.785 444 A N 0.565 123.052 122.820 -0.556 0.000 1.898 444 A HA 0.003 4.323 4.320 -0.001 0.000 0.216 444 A C 2.478 179.895 177.584 -0.280 0.000 1.181 444 A CA 1.960 53.663 52.037 -0.556 0.000 0.620 444 A CB -1.472 17.016 19.000 -0.854 0.000 0.819 444 A HN 0.218 nan 8.150 nan 0.000 0.442 445 A N -0.072 122.637 122.820 -0.184 0.000 1.930 445 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 445 A C 2.103 179.648 177.584 -0.066 0.000 1.175 445 A CA 1.402 53.395 52.037 -0.073 0.000 0.627 445 A CB -0.573 18.424 19.000 -0.005 0.000 0.815 445 A HN 0.488 nan 8.150 nan 0.000 0.443 446 I N -0.318 120.194 120.570 -0.097 0.000 2.127 446 I HA -0.237 3.933 4.170 -0.001 0.000 0.241 446 I C 2.753 178.826 176.117 -0.074 0.000 1.075 446 I CA 1.309 62.570 61.300 -0.065 0.000 1.334 446 I CB -0.682 37.273 38.000 -0.076 0.000 1.040 446 I HN 0.400 nan 8.210 nan 0.000 0.405 447 G N 0.290 108.983 108.800 -0.179 0.000 2.446 447 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.217 447 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.217 447 G C 1.845 176.687 174.900 -0.096 0.000 1.168 447 G CA 0.899 45.889 45.100 -0.183 0.000 0.771 447 G HN 0.507 nan 8.290 nan 0.000 0.551 448 A N 0.034 122.796 122.820 -0.097 0.000 1.877 448 A HA 0.031 4.351 4.320 -0.001 0.000 0.216 448 A C 1.776 179.353 177.584 -0.012 0.000 1.186 448 A CA 1.907 53.915 52.037 -0.048 0.000 0.620 448 A CB -0.500 18.475 19.000 -0.041 0.000 0.822 448 A HN 0.462 nan 8.150 nan 0.000 0.443 452 R N 0.872 121.386 120.500 0.023 0.000 2.748 452 R HA 0.292 4.632 4.340 -0.001 0.000 0.283 452 R C -2.198 174.114 176.300 0.020 0.000 1.507 452 R CA -1.476 54.638 56.100 0.023 0.000 1.666 452 R CB 1.249 31.563 30.300 0.024 0.000 1.237 452 R HN 0.270 nan 8.270 nan 0.000 0.633 453 P HA -0.142 nan 4.420 nan 0.000 0.220 453 P C -0.085 177.226 177.300 0.019 0.000 1.148 453 P CA 1.244 64.356 63.100 0.020 0.000 0.803 453 P CB 0.391 32.102 31.700 0.018 0.000 0.782 454 D N -0.971 119.438 120.400 0.016 0.000 2.402 454 D HA 0.105 4.744 4.640 -0.001 0.000 0.216 454 D C 0.546 176.851 176.300 0.008 0.000 1.128 454 D CA 0.158 54.166 54.000 0.013 0.000 0.833 454 D CB 0.586 41.393 40.800 0.012 0.000 0.971 454 D HN 0.362 nan 8.370 nan 0.000 0.503 455 Q N 1.072 120.875 119.800 0.006 0.000 2.266 455 Q HA 0.398 4.737 4.340 -0.001 0.000 0.261 455 Q C -2.577 173.411 176.000 -0.020 0.000 0.985 455 Q CA -1.982 53.814 55.803 -0.010 0.000 0.873 455 Q CB 1.934 30.666 28.738 -0.010 0.000 1.306 455 Q HN -0.135 nan 8.270 nan 0.000 0.447 456 P HA 0.033 nan 4.420 nan 0.000 0.268 456 P C -1.064 176.160 177.300 -0.125 0.000 1.204 456 P CA 0.090 63.133 63.100 -0.096 0.000 0.768 456 P CB 0.598 32.149 31.700 -0.247 0.000 0.842 457 T N 3.968 118.527 114.554 0.007 0.000 2.864 457 T HA 0.503 4.852 4.350 -0.001 0.000 0.299 457 T C -0.673 174.219 174.700 0.320 0.000 1.011 457 T CA -0.207 61.935 62.100 0.070 0.000 0.975 457 T CB 0.040 68.954 68.868 0.076 0.000 0.962 457 T HN 0.041 nan 8.240 nan 0.000 0.448 458 F N 2.674 122.661 119.950 0.060 0.000 2.458 458 F HA 0.733 5.260 4.527 -0.000 0.000 0.330 458 F C -0.099 175.739 175.800 0.063 0.000 1.082 458 F CA -2.185 55.853 58.000 0.064 0.000 0.995 458 F CB 1.511 40.557 39.000 0.076 0.000 1.170 458 F HN 0.307 nan 8.300 nan 0.000 0.478 459 L N 4.674 126.032 121.223 0.225 0.000 2.362 459 L HA 0.642 4.981 4.340 -0.001 0.000 0.275 459 L C -1.295 175.625 176.870 0.083 0.000 0.998 459 L CA -0.470 54.456 54.840 0.143 0.000 0.820 459 L CB 1.519 43.641 42.059 0.106 0.000 1.270 459 L HN 0.584 nan 8.230 nan 0.000 0.415 460 I N 4.858 125.508 120.570 0.132 0.000 2.377 460 I HA 0.848 5.018 4.170 -0.001 0.000 0.293 460 I C -0.758 175.377 176.117 0.029 0.000 0.987 460 I CA -0.232 61.097 61.300 0.049 0.000 1.185 460 I CB 1.368 39.462 38.000 0.156 0.000 1.341 460 I HN 0.900 nan 8.210 nan 0.000 0.455 461 A N 5.045 127.674 122.820 -0.318 0.000 2.515 461 A HA 0.791 5.111 4.320 -0.001 0.000 0.298 461 A C -0.459 176.608 177.584 -0.862 0.000 1.059 461 A CA -0.401 51.401 52.037 -0.391 0.000 0.698 461 A CB 1.358 20.379 19.000 0.035 0.000 1.289 461 A HN 0.807 nan 8.150 nan 0.000 0.404 462 G N -0.103 108.162 108.800 -0.892 0.000 2.504 462 G HA2 0.428 4.388 3.960 -0.001 0.000 0.288 462 G HA3 0.428 4.388 3.960 -0.001 0.000 0.288 462 G C 0.487 175.278 174.900 -0.182 0.000 1.182 462 G CA 0.314 45.120 45.100 -0.490 0.000 0.894 462 G HN 0.814 nan 8.290 nan 0.000 0.521 463 D N 0.091 120.426 120.400 -0.110 0.000 2.144 463 D HA -0.115 4.525 4.640 -0.001 0.000 0.199 463 D C 2.133 178.511 176.300 0.130 0.000 0.984 463 D CA 1.347 55.314 54.000 -0.055 0.000 0.834 463 D CB -0.693 40.207 40.800 0.168 0.000 0.955 463 D HN 0.467 nan 8.370 nan 0.000 0.465 464 G N 1.011 109.975 108.800 0.272 0.000 2.453 464 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.215 464 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.215 464 G C 1.800 176.767 174.900 0.111 0.000 1.201 464 G CA 1.264 46.563 45.100 0.331 0.000 0.784 464 G HN 0.468 nan 8.290 nan 0.000 0.545 465 G N 0.113 109.039 108.800 0.210 0.000 2.402 465 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.216 465 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.216 465 G C 1.658 176.512 174.900 -0.077 0.000 1.162 465 G CA 0.887 46.014 45.100 0.045 0.000 0.777 465 G HN 0.326 nan 8.290 nan 0.000 0.539 466 F N 0.931 120.818 119.950 -0.105 0.000 2.095 466 F HA -0.106 4.421 4.527 -0.001 0.000 0.298 466 F C 2.469 178.238 175.800 -0.052 0.000 1.104 466 F CA 2.018 59.940 58.000 -0.130 0.000 1.232 466 F CB -0.280 38.539 39.000 -0.301 0.000 0.987 466 F HN 0.251 nan 8.300 nan 0.000 0.475 467 H N -0.191 118.840 119.070 -0.065 0.000 2.495 467 H HA -0.033 4.522 4.556 -0.001 0.000 0.287 467 H C 2.456 177.602 175.328 -0.304 0.000 1.033 467 H CA 1.073 57.067 56.048 -0.091 0.000 1.307 467 H CB -0.457 29.337 29.762 0.054 0.000 1.401 467 H HN 0.349 nan 8.280 nan 0.000 0.555 468 S N -0.951 114.479 115.700 -0.450 0.000 2.440 468 S HA -0.150 4.320 4.470 -0.001 0.000 0.238 468 S C 1.380 175.677 174.600 -0.504 0.000 1.010 468 S CA 1.495 59.299 58.200 -0.659 0.000 0.972 468 S CB -0.048 62.292 63.200 -1.433 0.000 0.774 468 S HN 0.444 nan 8.310 nan 0.000 0.501 469 N N 0.014 118.455 118.700 -0.432 0.000 2.471 469 N HA 0.199 4.939 4.740 -0.001 0.000 0.270 469 N C 0.713 175.993 175.510 -0.383 0.000 1.490 469 N CA 0.556 53.410 53.050 -0.328 0.000 0.850 469 N CB 0.575 38.967 38.487 -0.158 0.000 1.411 469 N HN 0.345 nan 8.380 nan 0.000 0.488 470 S N -2.125 113.309 115.700 -0.443 0.000 2.489 470 S HA 0.021 4.491 4.470 -0.001 0.000 0.228 470 S C 1.640 176.102 174.600 -0.230 0.000 0.995 470 S CA 0.537 58.427 58.200 -0.517 0.000 0.934 470 S CB -0.046 63.009 63.200 -0.241 0.000 0.771 470 S HN 0.129 nan 8.310 nan 0.000 0.522 471 S N 2.197 117.801 115.700 -0.160 0.000 2.419 471 S HA -0.064 4.405 4.470 -0.001 0.000 0.233 471 S C 1.208 175.781 174.600 -0.044 0.000 1.016 471 S CA 1.011 59.169 58.200 -0.071 0.000 0.974 471 S CB -0.421 62.749 63.200 -0.049 0.000 0.786 471 S HN 0.559 nan 8.310 nan 0.000 0.492 472 D N 1.176 121.535 120.400 -0.067 0.000 2.371 472 D HA 0.075 4.715 4.640 -0.001 0.000 0.234 472 D C 1.433 177.718 176.300 -0.024 0.000 1.049 472 D CA 0.123 54.102 54.000 -0.035 0.000 0.907 472 D CB -0.047 40.729 40.800 -0.039 0.000 0.891 472 D HN 0.359 nan 8.370 nan 0.000 0.531 473 L N 0.691 121.901 121.223 -0.022 0.000 2.079 473 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 473 L C 2.559 179.450 176.870 0.036 0.000 1.081 473 L CA 1.065 55.926 54.840 0.036 0.000 0.752 473 L CB -0.214 41.893 42.059 0.081 0.000 0.896 473 L HN 0.000 nan 8.230 nan 0.000 0.433 474 E N -0.119 120.096 120.200 0.025 0.000 2.110 474 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 474 E C 1.967 178.583 176.600 0.027 0.000 0.988 474 E CA 1.889 58.305 56.400 0.027 0.000 0.804 474 E CB 0.020 29.734 29.700 0.024 0.000 0.745 474 E HN 0.439 nan 8.360 nan 0.000 0.458 475 T N 1.570 116.138 114.554 0.023 0.000 2.746 475 T HA -0.095 4.254 4.350 -0.001 0.000 0.267 475 T C 2.086 176.802 174.700 0.026 0.000 1.039 475 T CA 1.314 63.428 62.100 0.024 0.000 1.142 475 T CB -0.186 68.695 68.868 0.021 0.000 0.866 475 T HN 0.185 nan 8.240 nan 0.000 0.444 476 I N 1.345 121.932 120.570 0.029 0.000 2.208 476 I HA -0.216 3.953 4.170 -0.001 0.000 0.245 476 I C 2.925 179.067 176.117 0.042 0.000 1.097 476 I CA 1.227 62.550 61.300 0.038 0.000 1.363 476 I CB -0.487 37.543 38.000 0.049 0.000 1.051 476 I HN 0.211 nan 8.210 nan 0.000 0.413 477 A N 0.731 123.576 122.820 0.042 0.000 1.898 477 A HA -0.237 4.083 4.320 -0.001 0.000 0.216 477 A C 2.425 180.029 177.584 0.033 0.000 1.181 477 A CA 1.786 53.847 52.037 0.041 0.000 0.620 477 A CB -0.609 18.416 19.000 0.040 0.000 0.819 477 A HN 0.370 nan 8.150 nan 0.000 0.442 478 R N -0.228 120.289 120.500 0.028 0.000 2.075 478 R HA 0.011 4.351 4.340 -0.001 0.000 0.232 478 R C 1.582 177.893 176.300 0.019 0.000 1.126 478 R CA 1.444 57.557 56.100 0.023 0.000 0.963 478 R CB -0.365 29.947 30.300 0.021 0.000 0.858 478 R HN 0.486 nan 8.270 nan 0.000 0.435 479 L N 0.846 122.080 121.223 0.020 0.000 2.552 479 L HA 0.027 4.367 4.340 -0.001 0.000 0.227 479 L C 0.424 177.307 176.870 0.021 0.000 1.146 479 L CA 0.105 54.955 54.840 0.015 0.000 0.858 479 L CB -0.526 41.544 42.059 0.018 0.000 0.969 479 L HN 0.356 nan 8.230 nan 0.000 0.451 480 N N 1.122 119.839 118.700 0.028 0.000 2.714 480 N HA -0.216 4.524 4.740 -0.001 0.000 0.252 480 N C -0.550 174.983 175.510 0.038 0.000 1.014 480 N CA 0.470 53.541 53.050 0.034 0.000 0.735 480 N CB -1.185 37.318 38.487 0.028 0.000 0.924 480 N HN 0.279 nan 8.380 nan 0.000 0.540 481 L N 0.656 121.904 121.223 0.043 0.000 2.281 481 L HA 0.339 4.679 4.340 -0.001 0.000 0.285 481 L C -1.299 175.609 176.870 0.064 0.000 1.074 481 L CA -1.657 53.212 54.840 0.048 0.000 0.817 481 L CB 0.970 43.056 42.059 0.044 0.000 1.168 481 L HN 0.079 nan 8.230 nan 0.000 0.434 482 P HA 0.108 nan 4.420 nan 0.000 0.237 482 P C -0.026 177.347 177.300 0.121 0.000 1.723 482 P CA -0.003 63.149 63.100 0.088 0.000 0.882 482 P CB -0.365 31.379 31.700 0.074 0.000 1.810 483 I N 0.108 120.748 120.570 0.118 0.000 2.556 483 I HA 0.033 4.203 4.170 -0.001 0.000 0.284 483 I C 0.665 176.876 176.117 0.156 0.000 1.114 483 I CA -0.329 61.057 61.300 0.144 0.000 1.418 483 I CB 0.918 38.983 38.000 0.107 0.000 1.394 483 I HN -0.151 nan 8.210 nan 0.000 0.552 484 V N 5.589 125.617 119.914 0.190 0.000 2.350 484 V HA 0.270 4.390 4.120 -0.001 0.000 0.276 484 V C 0.192 176.279 176.094 -0.011 0.000 1.028 484 V CA -0.429 61.911 62.300 0.066 0.000 0.860 484 V CB 1.065 32.801 31.823 -0.146 0.000 0.990 484 V HN 0.735 nan 8.190 nan 0.000 0.453 485 T N 4.756 119.276 114.554 -0.056 0.000 2.794 485 T HA 0.549 4.898 4.350 -0.001 0.000 0.280 485 T C -0.243 174.312 174.700 -0.242 0.000 0.987 485 T CA -0.350 61.676 62.100 -0.123 0.000 0.993 485 T CB 1.616 70.414 68.868 -0.117 0.000 0.939 485 T HN 0.346 nan 8.240 nan 0.000 0.449 486 V N 4.163 123.927 119.914 -0.250 0.000 2.384 486 V HA 0.383 4.503 4.120 -0.001 0.000 0.287 486 V C -0.111 175.727 176.094 -0.427 0.000 1.020 486 V CA -0.776 61.345 62.300 -0.299 0.000 0.850 486 V CB 1.640 33.337 31.823 -0.210 0.000 0.987 486 V HN 0.692 nan 8.190 nan 0.000 0.436 487 V N 6.096 125.684 119.914 -0.544 0.000 2.333 487 V HA 0.288 4.408 4.120 -0.001 0.000 0.274 487 V C 0.091 175.876 176.094 -0.515 0.000 1.028 487 V CA -0.608 61.262 62.300 -0.717 0.000 0.851 487 V CB 1.738 32.893 31.823 -1.114 0.000 1.000 487 V HN 0.738 nan 8.190 nan 0.000 0.456 488 V N 2.466 122.086 119.914 -0.490 0.000 2.353 488 V HA 0.550 4.670 4.120 -0.001 0.000 0.264 488 V C -0.017 175.908 176.094 -0.282 0.000 1.049 488 V CA -0.384 61.703 62.300 -0.356 0.000 0.896 488 V CB 0.974 32.600 31.823 -0.328 0.000 1.025 488 V HN 0.741 nan 8.190 nan 0.000 0.475 489 N N 4.880 123.463 118.700 -0.196 0.000 2.417 489 N HA 0.404 5.144 4.740 -0.001 0.000 0.274 489 N C 0.155 175.646 175.510 -0.032 0.000 0.987 489 N CA -0.451 52.558 53.050 -0.068 0.000 0.912 489 N CB 1.608 40.109 38.487 0.023 0.000 1.177 489 N HN 0.890 nan 8.380 nan 0.000 0.490 490 N N 2.200 120.928 118.700 0.047 0.000 2.241 490 N HA 0.066 4.805 4.740 -0.001 0.000 0.238 490 N C -1.079 174.512 175.510 0.135 0.000 1.244 490 N CA -0.187 52.892 53.050 0.048 0.000 0.880 490 N CB 0.006 38.494 38.487 0.003 0.000 1.179 490 N HN 0.497 nan 8.380 nan 0.000 0.513 491 D N 0.088 120.615 120.400 0.211 0.000 2.751 491 D HA -0.139 4.501 4.640 -0.001 0.000 0.233 491 D C -0.915 175.572 176.300 0.311 0.000 1.149 491 D CA 1.236 55.416 54.000 0.301 0.000 0.682 491 D CB -1.712 39.195 40.800 0.179 0.000 1.068 491 D HN 0.468 nan 8.370 nan 0.000 0.429 492 T N 0.047 114.804 114.554 0.339 0.000 2.932 492 T HA 0.215 4.565 4.350 -0.001 0.000 0.318 492 T C -0.127 174.733 174.700 0.266 0.000 1.265 492 T CA -0.851 61.316 62.100 0.111 0.000 1.036 492 T CB 1.521 70.468 68.868 0.133 0.000 1.209 492 T HN -0.152 nan 8.240 nan 0.000 0.484 493 N N 1.753 120.501 118.700 0.080 0.000 2.671 493 N HA 0.210 4.950 4.740 -0.001 0.000 0.274 493 N C 1.447 177.073 175.510 0.193 0.000 1.188 493 N CA -0.036 53.158 53.050 0.240 0.000 1.065 493 N CB 0.734 39.328 38.487 0.179 0.000 1.415 493 N HN 0.896 nan 8.380 nan 0.000 0.511 494 G N 1.092 110.063 108.800 0.286 0.000 2.418 494 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.217 494 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.217 494 G C 1.485 176.406 174.900 0.035 0.000 1.158 494 G CA 0.267 45.534 45.100 0.279 0.000 0.771 494 G HN 0.474 nan 8.290 nan 0.000 0.545 495 L N 0.773 122.014 121.223 0.029 0.000 2.079 495 L HA -0.070 4.269 4.340 -0.001 0.000 0.210 495 L C 2.432 179.280 176.870 -0.035 0.000 1.081 495 L CA 1.427 56.212 54.840 -0.093 0.000 0.752 495 L CB -0.204 41.917 42.059 0.102 0.000 0.896 495 L HN 0.123 nan 8.230 nan 0.000 0.433 496 I N -0.639 119.966 120.570 0.058 0.000 2.406 496 I HA -0.189 3.981 4.170 -0.001 0.000 0.249 496 I C 2.463 178.595 176.117 0.023 0.000 1.122 496 I CA 1.120 62.467 61.300 0.079 0.000 1.431 496 I CB -1.489 36.544 38.000 0.054 0.000 1.087 496 I HN 0.462 nan 8.210 nan 0.000 0.424 497 E N 1.071 121.274 120.200 0.006 0.000 2.110 497 E HA -0.254 4.096 4.350 -0.001 0.000 0.193 497 E C 2.269 178.790 176.600 -0.133 0.000 0.988 497 E CA 1.000 57.422 56.400 0.036 0.000 0.804 497 E CB -0.005 29.808 29.700 0.189 0.000 0.745 497 E HN 0.296 nan 8.360 nan 0.000 0.458 498 L N 0.118 121.010 121.223 -0.552 0.000 1.994 498 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 498 L C 1.939 178.424 176.870 -0.642 0.000 1.071 498 L CA 1.822 55.997 54.840 -1.109 0.000 0.745 498 L CB -0.766 40.276 42.059 -1.695 0.000 0.892 498 L HN 0.197 nan 8.230 nan 0.000 0.431 499 Y N 0.092 120.168 120.300 -0.373 0.000 2.224 499 Y HA -0.257 4.293 4.550 -0.001 0.000 0.289 499 Y C 2.725 178.551 175.900 -0.123 0.000 1.146 499 Y CA 1.819 59.781 58.100 -0.230 0.000 1.182 499 Y CB -0.527 37.836 38.460 -0.162 0.000 0.983 499 Y HN 0.371 nan 8.280 nan 0.000 0.524 500 Q N -0.134 119.712 119.800 0.077 0.000 2.061 500 Q HA -0.230 4.110 4.340 -0.001 0.000 0.204 500 Q C 1.959 178.020 176.000 0.102 0.000 0.984 500 Q CA 1.580 57.465 55.803 0.137 0.000 0.846 500 Q CB -0.288 28.500 28.738 0.084 0.000 0.902 500 Q HN 0.565 nan 8.270 nan 0.000 0.421 501 N N 0.409 119.109 118.700 -0.000 0.000 2.188 501 N HA -0.086 4.654 4.740 -0.001 0.000 0.184 501 N C 1.936 177.369 175.510 -0.129 0.000 1.018 501 N CA 0.889 53.934 53.050 -0.008 0.000 0.858 501 N CB -0.061 38.463 38.487 0.062 0.000 0.989 501 N HN 0.247 nan 8.380 nan 0.000 0.426 502 I N 0.840 121.297 120.570 -0.189 0.000 2.163 502 I HA -0.207 3.963 4.170 -0.001 0.000 0.243 502 I C 2.458 178.387 176.117 -0.313 0.000 1.085 502 I CA 1.527 62.699 61.300 -0.214 0.000 1.347 502 I CB -0.523 37.336 38.000 -0.235 0.000 1.044 502 I HN 0.156 nan 8.210 nan 0.000 0.408 503 G N -1.190 107.443 108.800 -0.278 0.000 2.453 503 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.215 503 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.215 503 G C 1.352 175.832 174.900 -0.701 0.000 1.147 503 G CA 0.346 45.169 45.100 -0.460 0.000 0.802 503 G HN 0.445 nan 8.290 nan 0.000 0.535 504 H N -1.498 117.399 119.070 -0.289 0.000 3.440 504 H HA 0.132 4.688 4.556 -0.001 0.000 0.259 504 H C 0.372 175.637 175.328 -0.105 0.000 1.120 504 H CA 0.205 56.150 56.048 -0.172 0.000 1.191 504 H CB 0.711 30.435 29.762 -0.063 0.000 1.537 504 H HN 0.386 nan 8.280 nan 0.000 0.547 505 H N 0.535 119.674 119.070 0.115 0.000 2.899 505 H HA -0.147 4.408 4.556 -0.001 0.000 0.282 505 H C 0.333 175.720 175.328 0.099 0.000 1.198 505 H CA 1.281 57.382 56.048 0.088 0.000 1.140 505 H CB -1.383 28.417 29.762 0.063 0.000 1.317 505 H HN 0.581 nan 8.280 nan 0.000 0.375 506 R N -1.534 119.068 120.500 0.169 0.000 2.712 506 R HA 0.675 5.015 4.340 -0.001 0.000 0.272 506 R C -1.093 175.273 176.300 0.111 0.000 1.032 506 R CA -0.738 55.442 56.100 0.134 0.000 0.874 506 R CB 1.144 31.512 30.300 0.114 0.000 1.256 506 R HN -0.028 nan 8.270 nan 0.000 0.468 507 S N -0.143 115.619 115.700 0.104 0.000 2.713 507 S HA 0.360 4.830 4.470 -0.001 0.000 0.283 507 S C -0.988 173.684 174.600 0.120 0.000 1.161 507 S CA -0.548 57.711 58.200 0.098 0.000 0.999 507 S CB 0.760 64.015 63.200 0.091 0.000 1.039 507 S HN 0.659 nan 8.310 nan 0.000 0.548 508 H N 0.394 119.450 119.070 -0.024 0.000 3.092 508 H HA 0.343 4.899 4.556 -0.000 0.000 0.308 508 H C -0.301 175.005 175.328 -0.036 0.000 1.047 508 H CA -0.623 55.401 56.048 -0.041 0.000 1.466 508 H CB 0.299 30.016 29.762 -0.076 0.000 1.597 508 H HN 0.437 nan 8.280 nan 0.000 0.512 509 D N 4.696 124.932 120.400 -0.273 0.000 2.123 509 D HA -0.107 4.532 4.640 -0.001 0.000 0.196 509 D C -0.800 175.326 176.300 -0.289 0.000 0.992 509 D CA 0.893 54.757 54.000 -0.227 0.000 0.833 509 D CB -0.864 39.844 40.800 -0.153 0.000 0.954 509 D HN 0.535 nan 8.370 nan 0.000 0.455 510 P HA -0.075 nan 4.420 nan 0.000 0.220 510 P C 0.772 177.973 177.300 -0.165 0.000 1.144 510 P CA 1.462 64.393 63.100 -0.282 0.000 0.800 510 P CB 0.029 31.540 31.700 -0.315 0.000 0.772 511 A N -1.340 121.390 122.820 -0.150 0.000 2.195 511 A HA 0.132 4.452 4.320 -0.001 0.000 0.210 511 A C 1.700 179.231 177.584 -0.088 0.000 1.165 511 A CA 1.091 53.100 52.037 -0.047 0.000 0.806 511 A CB -0.478 18.548 19.000 0.043 0.000 0.847 511 A HN 0.198 nan 8.150 nan 0.000 0.482 512 V N -5.763 114.053 119.914 -0.163 0.000 3.332 512 V HA 0.339 4.458 4.120 -0.001 0.000 0.263 512 V C -0.038 175.777 176.094 -0.465 0.000 1.562 512 V CA -0.307 61.855 62.300 -0.229 0.000 1.040 512 V CB -0.131 31.634 31.823 -0.096 0.000 0.857 512 V HN 0.054 nan 8.190 nan 0.000 0.428 513 K N 1.624 121.798 120.400 -0.376 0.000 2.172 513 K HA 0.610 4.930 4.320 -0.001 0.000 0.276 513 K C -1.183 175.190 176.600 -0.379 0.000 1.013 513 K CA -0.208 55.872 56.287 -0.346 0.000 0.913 513 K CB 1.558 33.971 32.500 -0.146 0.000 1.055 513 K HN 0.315 nan 8.250 nan 0.000 0.461 514 F N -0.523 119.465 119.950 0.062 0.000 2.509 514 F HA 0.474 5.000 4.527 -0.001 0.000 0.334 514 F C 1.403 177.222 175.800 0.031 0.000 1.060 514 F CA -0.777 57.257 58.000 0.057 0.000 0.997 514 F CB 0.653 39.705 39.000 0.086 0.000 1.271 514 F HN 0.558 nan 8.300 nan 0.000 0.488 515 G N -0.613 108.330 108.800 0.237 0.000 2.525 515 G HA2 0.466 4.426 3.960 -0.001 0.000 0.287 515 G HA3 0.466 4.426 3.960 -0.001 0.000 0.287 515 G C -0.195 174.752 174.900 0.077 0.000 1.350 515 G CA -0.575 44.593 45.100 0.113 0.000 1.039 515 G HN 0.882 nan 8.290 nan 0.000 0.513 516 G N -1.634 107.171 108.800 0.008 0.000 2.380 516 G HA2 0.448 4.408 3.960 -0.001 0.000 0.262 516 G HA3 0.448 4.408 3.960 -0.001 0.000 0.262 516 G C -0.759 174.047 174.900 -0.156 0.000 1.243 516 G CA -0.085 44.985 45.100 -0.051 0.000 0.865 516 G HN 0.575 nan 8.290 nan 0.000 0.513 517 V N 3.096 122.833 119.914 -0.295 0.000 2.487 517 V HA 0.212 4.331 4.120 -0.001 0.000 0.298 517 V C -0.682 175.026 176.094 -0.643 0.000 1.028 517 V CA -0.915 61.019 62.300 -0.609 0.000 0.860 517 V CB 1.909 33.036 31.823 -1.159 0.000 0.991 517 V HN 0.778 nan 8.190 nan 0.000 0.427 518 D N 3.691 123.808 120.400 -0.472 0.000 2.422 518 D HA 0.241 4.880 4.640 -0.001 0.000 0.227 518 D C 0.613 176.704 176.300 -0.348 0.000 1.190 518 D CA -0.193 53.622 54.000 -0.309 0.000 0.905 518 D CB 0.595 41.289 40.800 -0.178 0.000 1.034 518 D HN 0.364 nan 8.370 nan 0.000 0.507 519 F N 2.104 121.964 119.950 -0.150 0.000 2.293 519 F HA -0.133 4.393 4.527 -0.000 0.000 0.300 519 F C 2.334 178.052 175.800 -0.136 0.000 1.086 519 F CA 0.245 58.157 58.000 -0.146 0.000 1.375 519 F CB -0.228 38.645 39.000 -0.211 0.000 1.045 519 F HN 0.272 nan 8.300 nan 0.000 0.516 520 V N 0.069 119.982 119.914 -0.001 0.000 2.261 520 V HA -0.315 3.804 4.120 -0.001 0.000 0.246 520 V C 2.630 178.691 176.094 -0.055 0.000 1.047 520 V CA 1.912 64.174 62.300 -0.065 0.000 1.015 520 V CB -1.408 30.366 31.823 -0.082 0.000 0.642 520 V HN 0.343 nan 8.190 nan 0.000 0.446 521 A N -0.428 122.356 122.820 -0.061 0.000 1.933 521 A HA -0.204 4.116 4.320 -0.001 0.000 0.218 521 A C 2.191 179.753 177.584 -0.037 0.000 1.175 521 A CA 2.089 54.094 52.037 -0.053 0.000 0.628 521 A CB -0.602 18.357 19.000 -0.068 0.000 0.814 521 A HN 0.450 nan 8.150 nan 0.000 0.444 522 L N -0.305 120.894 121.223 -0.041 0.000 2.012 522 L HA -0.142 4.198 4.340 -0.001 0.000 0.210 522 L C 2.818 179.724 176.870 0.061 0.000 1.073 522 L CA 2.153 57.000 54.840 0.011 0.000 0.748 522 L CB -0.583 41.493 42.059 0.028 0.000 0.891 522 L HN 0.367 nan 8.230 nan 0.000 0.431 523 A N -0.872 121.990 122.820 0.070 0.000 1.883 523 A HA -0.242 4.078 4.320 -0.001 0.000 0.217 523 A C 2.145 179.741 177.584 0.021 0.000 1.186 523 A CA 1.944 54.014 52.037 0.054 0.000 0.624 523 A CB -0.673 18.324 19.000 -0.005 0.000 0.822 523 A HN 0.612 nan 8.150 nan 0.000 0.444 524 E N -0.271 119.928 120.200 -0.002 0.000 2.153 524 E HA -0.115 4.234 4.350 -0.001 0.000 0.194 524 E C 2.264 178.870 176.600 0.009 0.000 0.988 524 E CA 0.869 57.269 56.400 -0.000 0.000 0.811 524 E CB -0.316 29.378 29.700 -0.011 0.000 0.746 524 E HN 0.626 nan 8.360 nan 0.000 0.466 525 A N 1.920 124.745 122.820 0.009 0.000 1.972 525 A HA -0.164 4.156 4.320 -0.001 0.000 0.219 525 A C 1.799 179.395 177.584 0.020 0.000 1.169 525 A CA 1.141 53.185 52.037 0.012 0.000 0.635 525 A CB -0.281 18.724 19.000 0.009 0.000 0.810 525 A HN 0.148 nan 8.150 nan 0.000 0.446 526 N N -1.005 117.712 118.700 0.029 0.000 2.398 526 N HA 0.115 4.854 4.740 -0.001 0.000 0.188 526 N C 0.987 176.516 175.510 0.032 0.000 1.122 526 N CA 0.894 53.963 53.050 0.033 0.000 0.866 526 N CB 0.399 38.913 38.487 0.045 0.000 0.970 526 N HN 0.628 nan 8.380 nan 0.000 0.462 527 G N 0.567 109.384 108.800 0.029 0.000 2.132 527 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.228 527 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.228 527 G C -0.224 174.700 174.900 0.040 0.000 1.000 527 G CA -0.134 44.985 45.100 0.032 0.000 0.693 527 G HN 0.156 nan 8.290 nan 0.000 0.515 528 V N 1.394 121.330 119.914 0.038 0.000 2.347 528 V HA 0.388 4.508 4.120 -0.001 0.000 0.280 528 V C 0.075 176.181 176.094 0.020 0.000 1.021 528 V CA -1.123 61.203 62.300 0.042 0.000 0.847 528 V CB 1.539 33.386 31.823 0.039 0.000 0.990 528 V HN 0.264 nan 8.190 nan 0.000 0.444 529 D N 3.799 124.243 120.400 0.074 0.000 2.472 529 D HA 0.517 5.156 4.640 -0.001 0.000 0.237 529 D C 0.226 176.418 176.300 -0.179 0.000 1.141 529 D CA 0.699 54.754 54.000 0.091 0.000 0.875 529 D CB 1.345 42.325 40.800 0.299 0.000 1.192 529 D HN 0.839 nan 8.370 nan 0.000 0.450 530 A N 1.135 123.789 122.820 -0.278 0.000 2.602 530 A HA 0.768 5.088 4.320 -0.001 0.000 0.290 530 A C -0.568 176.790 177.584 -0.376 0.000 1.114 530 A CA -0.592 51.086 52.037 -0.598 0.000 0.683 530 A CB 2.349 21.146 19.000 -0.339 0.000 1.281 530 A HN 0.422 nan 8.150 nan 0.000 0.416 531 T N -0.583 113.734 114.554 -0.395 0.000 2.840 531 T HA 0.548 4.898 4.350 -0.001 0.000 0.317 531 T C -1.248 173.371 174.700 -0.136 0.000 1.401 531 T CA -0.542 61.472 62.100 -0.144 0.000 1.028 531 T CB 1.345 70.236 68.868 0.039 0.000 1.317 531 T HN 0.871 nan 8.240 nan 0.000 0.495 532 R N 1.500 121.955 120.500 -0.076 0.000 2.428 532 R HA 0.803 5.142 4.340 -0.001 0.000 0.294 532 R C -1.098 175.171 176.300 -0.052 0.000 1.000 532 R CA -0.464 55.592 56.100 -0.072 0.000 0.960 532 R CB 1.019 31.286 30.300 -0.055 0.000 1.076 532 R HN 0.679 nan 8.270 nan 0.000 0.475 533 A N 2.073 124.854 122.820 -0.064 0.000 2.359 533 A HA 0.348 4.667 4.320 -0.001 0.000 0.303 533 A C 0.120 177.669 177.584 -0.058 0.000 1.066 533 A CA -0.605 51.401 52.037 -0.051 0.000 0.730 533 A CB 1.635 20.606 19.000 -0.049 0.000 1.211 533 A HN 0.876 nan 8.150 nan 0.000 0.439 534 T N -1.578 112.949 114.554 -0.045 0.000 3.040 534 T HA 0.289 4.639 4.350 -0.001 0.000 0.266 534 T C 0.219 174.898 174.700 -0.036 0.000 1.005 534 T CA 0.445 62.518 62.100 -0.044 0.000 0.906 534 T CB -0.586 68.261 68.868 -0.035 0.000 1.082 534 T HN 0.908 nan 8.240 nan 0.000 0.531 535 N N -0.278 118.403 118.700 -0.033 0.000 2.853 535 N HA 0.425 5.164 4.740 -0.001 0.000 0.258 535 N C 0.399 175.893 175.510 -0.026 0.000 1.444 535 N CA -1.161 51.874 53.050 -0.025 0.000 0.837 535 N CB 0.980 39.456 38.487 -0.018 0.000 1.489 535 N HN -0.180 nan 8.380 nan 0.000 0.529 536 R N -0.205 120.283 120.500 -0.020 0.000 2.091 536 R HA -0.148 4.192 4.340 -0.001 0.000 0.238 536 R C 1.400 177.692 176.300 -0.013 0.000 1.136 536 R CA 1.842 57.932 56.100 -0.017 0.000 0.959 536 R CB -0.230 30.064 30.300 -0.010 0.000 0.856 536 R HN 0.777 nan 8.270 nan 0.000 0.437 537 E N 0.974 121.166 120.200 -0.012 0.000 2.051 537 E HA -0.220 4.130 4.350 -0.001 0.000 0.192 537 E C 1.681 178.275 176.600 -0.010 0.000 0.991 537 E CA 1.379 57.773 56.400 -0.010 0.000 0.799 537 E CB 0.141 29.835 29.700 -0.010 0.000 0.748 537 E HN 0.376 nan 8.360 nan 0.000 0.449 538 E N 0.184 120.377 120.200 -0.012 0.000 2.106 538 E HA -0.195 4.155 4.350 -0.001 0.000 0.192 538 E C 2.151 178.746 176.600 -0.010 0.000 0.984 538 E CA 0.780 57.174 56.400 -0.010 0.000 0.806 538 E CB -0.068 29.624 29.700 -0.014 0.000 0.750 538 E HN 0.202 nan 8.360 nan 0.000 0.458 539 L N 0.986 122.196 121.223 -0.020 0.000 2.027 539 L HA -0.135 4.205 4.340 -0.001 0.000 0.206 539 L C 2.024 178.881 176.870 -0.021 0.000 1.074 539 L CA 1.480 56.303 54.840 -0.029 0.000 0.745 539 L CB -0.361 41.672 42.059 -0.043 0.000 0.898 539 L HN 0.107 nan 8.230 nan 0.000 0.433 540 L N -0.539 120.676 121.223 -0.012 0.000 2.042 540 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 540 L C 2.673 179.539 176.870 -0.007 0.000 1.076 540 L CA 1.331 56.169 54.840 -0.003 0.000 0.749 540 L CB -0.941 41.121 42.059 0.005 0.000 0.893 540 L HN 0.405 nan 8.230 nan 0.000 0.432 541 A N -0.112 122.704 122.820 -0.007 0.000 1.877 541 A HA -0.180 4.139 4.320 -0.001 0.000 0.216 541 A C 2.525 180.099 177.584 -0.016 0.000 1.186 541 A CA 1.786 53.816 52.037 -0.012 0.000 0.620 541 A CB -0.754 18.241 19.000 -0.007 0.000 0.822 541 A HN 0.413 nan 8.150 nan 0.000 0.443 542 A N -0.364 122.465 122.820 0.015 0.000 1.902 542 A HA -0.041 4.278 4.320 -0.001 0.000 0.217 542 A C 2.188 179.792 177.584 0.033 0.000 1.181 542 A CA 1.533 53.621 52.037 0.085 0.000 0.623 542 A CB -0.620 18.465 19.000 0.141 0.000 0.818 542 A HN 0.467 nan 8.150 nan 0.000 0.443 543 L N -1.206 119.998 121.223 -0.031 0.000 2.046 543 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 543 L C 2.872 179.690 176.870 -0.088 0.000 1.077 543 L CA 1.533 56.300 54.840 -0.121 0.000 0.747 543 L CB -0.407 41.562 42.059 -0.148 0.000 0.896 543 L HN 0.329 nan 8.230 nan 0.000 0.432 544 R N -0.128 120.346 120.500 -0.045 0.000 2.092 544 R HA -0.185 4.154 4.340 -0.001 0.000 0.231 544 R C 2.323 178.568 176.300 -0.092 0.000 1.119 544 R CA 1.337 57.420 56.100 -0.028 0.000 0.970 544 R CB -0.229 30.064 30.300 -0.013 0.000 0.864 544 R HN 0.255 nan 8.270 nan 0.000 0.440 545 K N 0.204 120.504 120.400 -0.167 0.000 2.002 545 K HA -0.127 4.193 4.320 -0.001 0.000 0.209 545 K C 2.097 178.422 176.600 -0.458 0.000 1.048 545 K CA 1.759 57.864 56.287 -0.304 0.000 0.930 545 K CB -0.363 31.910 32.500 -0.379 0.000 0.714 545 K HN 0.245 nan 8.250 nan 0.000 0.438 546 G N 0.337 108.806 108.800 -0.551 0.000 2.440 546 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.218 546 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.218 546 G C 1.579 176.408 174.900 -0.118 0.000 1.154 546 G CA 0.990 45.831 45.100 -0.430 0.000 0.767 546 G HN 0.469 nan 8.290 nan 0.000 0.552 547 A N 0.503 123.309 122.820 -0.024 0.000 1.969 547 A HA 0.050 4.369 4.320 -0.001 0.000 0.218 547 A C 2.060 179.674 177.584 0.049 0.000 1.169 547 A CA 1.704 53.815 52.037 0.123 0.000 0.635 547 A CB -0.190 18.947 19.000 0.229 0.000 0.810 547 A HN 0.470 nan 8.150 nan 0.000 0.445 548 E N -1.128 119.058 120.200 -0.023 0.000 2.481 548 E HA 0.123 4.473 4.350 -0.001 0.000 0.198 548 E C 1.335 177.905 176.600 -0.051 0.000 1.027 548 E CA -0.274 56.109 56.400 -0.028 0.000 0.900 548 E CB 0.138 29.817 29.700 -0.036 0.000 0.993 548 E HN 0.438 nan 8.360 nan 0.000 0.482 549 L N 0.385 121.557 121.223 -0.085 0.000 2.141 549 L HA 0.017 4.357 4.340 -0.001 0.000 0.209 549 L C 1.525 178.378 176.870 -0.029 0.000 1.094 549 L CA 1.957 56.742 54.840 -0.092 0.000 0.763 549 L CB -0.315 41.650 42.059 -0.158 0.000 0.908 549 L HN 0.285 nan 8.230 nan 0.000 0.437 550 G N -0.465 108.334 108.800 -0.002 0.000 2.148 550 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.254 550 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.254 550 G C 0.510 175.427 174.900 0.029 0.000 0.981 550 G CA 0.561 45.670 45.100 0.016 0.000 0.670 550 G HN 0.449 nan 8.290 nan 0.000 0.528 551 R N -0.342 120.183 120.500 0.041 0.000 2.799 551 R HA 0.489 4.829 4.340 -0.001 0.000 0.270 551 R C -2.733 173.627 176.300 0.101 0.000 1.010 551 R CA -1.900 54.239 56.100 0.065 0.000 0.916 551 R CB 2.170 32.510 30.300 0.068 0.000 1.228 551 R HN 0.046 nan 8.270 nan 0.000 0.469 552 P HA 0.095 nan 4.420 nan 0.000 0.270 552 P C -1.076 176.363 177.300 0.231 0.000 1.223 552 P CA 0.237 63.422 63.100 0.141 0.000 0.785 552 P CB 0.552 32.313 31.700 0.102 0.000 0.923 553 F N 1.318 121.269 119.950 0.002 0.000 2.628 553 F HA 0.563 5.089 4.527 -0.001 0.000 0.309 553 F C -1.642 174.129 175.800 -0.049 0.000 1.108 553 F CA -1.031 56.954 58.000 -0.024 0.000 0.971 553 F CB 1.580 40.556 39.000 -0.040 0.000 1.279 553 F HN 0.163 nan 8.300 nan 0.000 0.441 554 L N 6.261 127.103 121.223 -0.634 0.000 2.386 554 L HA 0.759 5.098 4.340 -0.001 0.000 0.271 554 L C -1.624 174.853 176.870 -0.655 0.000 0.993 554 L CA -0.512 54.035 54.840 -0.489 0.000 0.819 554 L CB 1.732 43.609 42.059 -0.303 0.000 1.294 554 L HN 0.582 nan 8.230 nan 0.000 0.414 555 I N 3.909 124.225 120.570 -0.424 0.000 2.418 555 I HA 0.367 4.537 4.170 -0.001 0.000 0.287 555 I C -0.567 175.376 176.117 -0.290 0.000 1.008 555 I CA -0.429 60.678 61.300 -0.321 0.000 1.104 555 I CB 1.911 39.795 38.000 -0.194 0.000 1.264 555 I HN 0.587 nan 8.210 nan 0.000 0.438 556 E N 6.112 126.174 120.200 -0.230 0.000 2.174 556 E HA 0.526 4.875 4.350 -0.001 0.000 0.282 556 E C -1.505 175.000 176.600 -0.158 0.000 0.992 556 E CA -0.556 55.725 56.400 -0.198 0.000 0.803 556 E CB 1.606 31.251 29.700 -0.091 0.000 1.090 556 E HN 0.374 nan 8.360 nan 0.000 0.396 557 V N 7.307 127.113 119.914 -0.181 0.000 2.444 557 V HA 0.345 4.465 4.120 -0.001 0.000 0.294 557 V C -2.233 173.774 176.094 -0.146 0.000 1.022 557 V CA -1.886 60.323 62.300 -0.152 0.000 0.850 557 V CB 1.524 33.248 31.823 -0.166 0.000 0.992 557 V HN 0.707 nan 8.190 nan 0.000 0.426 558 P HA 0.244 nan 4.420 nan 0.000 0.271 558 P C -0.633 176.574 177.300 -0.155 0.000 1.220 558 P CA 0.254 63.289 63.100 -0.108 0.000 0.768 558 P CB 1.468 33.123 31.700 -0.075 0.000 0.848 559 V N 1.086 120.879 119.914 -0.201 0.000 3.102 559 V HA 0.692 4.811 4.120 -0.001 0.000 0.312 559 V C -0.766 175.119 176.094 -0.348 0.000 1.135 559 V CA -0.992 61.125 62.300 -0.305 0.000 1.022 559 V CB 2.237 33.812 31.823 -0.415 0.000 1.056 559 V HN 0.436 nan 8.190 nan 0.000 0.436 560 N N -0.281 118.164 118.700 -0.426 0.000 2.455 560 N HA 0.678 5.417 4.740 -0.001 0.000 0.278 560 N C -0.932 174.285 175.510 -0.488 0.000 1.291 560 N CA -0.548 52.255 53.050 -0.413 0.000 0.780 560 N CB 2.175 40.535 38.487 -0.212 0.000 1.520 560 N HN 0.737 nan 8.380 nan 0.000 0.486 561 Y N -0.035 120.251 120.300 -0.023 0.000 2.539 561 Y HA 0.219 4.768 4.550 -0.000 0.000 0.284 561 Y C -0.070 175.877 175.900 0.078 0.000 1.134 561 Y CA 0.056 58.230 58.100 0.125 0.000 1.251 561 Y CB 0.314 39.017 38.460 0.404 0.000 1.260 561 Y HN 0.408 nan 8.280 nan 0.000 0.528 562 D N 1.098 121.491 120.400 -0.010 0.000 2.737 562 D HA -0.187 4.453 4.640 -0.001 0.000 0.238 562 D C -0.767 175.618 176.300 0.141 0.000 1.157 562 D CA 0.629 54.611 54.000 -0.030 0.000 0.694 562 D CB -1.724 39.106 40.800 0.050 0.000 1.021 562 D HN 0.203 nan 8.370 nan 0.000 0.420 563 F N -0.977 119.165 119.950 0.320 0.000 2.403 563 F HA 0.497 5.024 4.527 -0.000 0.000 0.320 563 F C 0.938 176.900 175.800 0.269 0.000 1.176 563 F CA -0.898 57.311 58.000 0.349 0.000 1.206 563 F CB 0.431 39.556 39.000 0.208 0.000 1.235 563 F HN -0.126 nan 8.300 nan 0.000 0.565 564 Q N 1.651 121.830 119.800 0.631 0.000 2.508 564 Q HA 0.294 4.633 4.340 -0.001 0.000 0.247 564 Q C -2.131 174.136 176.000 0.444 0.000 1.047 564 Q CA -1.708 54.348 55.803 0.421 0.000 0.783 564 Q CB 1.582 30.483 28.738 0.271 0.000 1.172 564 Q HN 0.417 nan 8.270 nan 0.000 0.515 565 P HA -0.148 nan 4.420 nan 0.000 0.221 565 P C 1.166 178.616 177.300 0.249 0.000 1.145 565 P CA 0.959 64.199 63.100 0.234 0.000 0.795 565 P CB 0.304 32.079 31.700 0.126 0.000 0.775 566 G N -0.482 108.443 108.800 0.209 0.000 2.534 566 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.217 566 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.217 566 G C 1.413 176.358 174.900 0.075 0.000 1.128 566 G CA 0.558 45.741 45.100 0.138 0.000 0.784 566 G HN 0.402 nan 8.290 nan 0.000 0.542 567 G N -0.293 108.526 108.800 0.031 0.000 3.233 567 G HA2 0.288 4.248 3.960 -0.001 0.000 0.227 567 G HA3 0.288 4.248 3.960 -0.001 0.000 0.227 567 G C 0.252 174.911 174.900 -0.400 0.000 1.175 567 G CA -0.387 44.596 45.100 -0.195 0.000 0.781 567 G HN 0.295 nan 8.290 nan 0.000 0.542 568 F N 0.778 120.686 119.950 -0.070 0.000 2.850 568 F HA 0.298 4.825 4.527 -0.001 0.000 0.306 568 F C 2.063 177.771 175.800 -0.153 0.000 1.162 568 F CA -0.495 57.419 58.000 -0.143 0.000 1.327 568 F CB 0.855 39.714 39.000 -0.234 0.000 0.953 568 F HN 0.088 nan 8.300 nan 0.000 0.507 569 G N 0.356 109.151 108.800 -0.008 0.000 2.462 569 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.220 569 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.220 569 G C 1.904 176.775 174.900 -0.048 0.000 1.121 569 G CA 0.929 46.014 45.100 -0.025 0.000 0.758 569 G HN 0.448 nan 8.290 nan 0.000 0.559 570 A N 0.537 123.318 122.820 -0.065 0.000 2.076 570 A HA 0.092 4.412 4.320 -0.001 0.000 0.220 570 A C 2.309 179.832 177.584 -0.100 0.000 1.160 570 A CA 1.025 53.016 52.037 -0.077 0.000 0.653 570 A CB -0.281 18.676 19.000 -0.071 0.000 0.801 570 A HN 0.396 nan 8.150 nan 0.000 0.455 571 L N -0.123 121.026 121.223 -0.123 0.000 2.362 571 L HA -0.034 4.306 4.340 -0.001 0.000 0.219 571 L C 0.743 177.563 176.870 -0.084 0.000 1.134 571 L CA 0.005 54.748 54.840 -0.161 0.000 0.807 571 L CB -0.421 41.495 42.059 -0.238 0.000 0.927 571 L HN 0.160 nan 8.230 nan 0.000 0.447 572 S N 0.299 115.962 115.700 -0.063 0.000 2.533 572 S HA 0.372 4.842 4.470 -0.001 0.000 0.282 572 S C 0.146 174.716 174.600 -0.049 0.000 1.304 572 S CA -0.142 58.031 58.200 -0.046 0.000 1.063 572 S CB 0.797 63.974 63.200 -0.040 0.000 0.881 572 S HN 0.044 nan 8.310 nan 0.000 0.493 573 I N 0.000 120.546 120.570 -0.040 0.000 2.984 573 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 573 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 573 I CB 0.000 37.984 38.000 -0.027 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494