REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ihv_1_C DATA FIRST_RESID 11 DATA SEQUENCE KPTAAHALLS RLRDHGVGKV FGVVGREAAS ILFDEVEGID FVLTRHEFTA DATA SEQUENCE GVAADVLARI TGRPQACWAT LGPGMTNLST GIATSVLDRS PVIALAAQSE DATA SEQUENCE SHDIFPNDTH QCLDSVAIVA PMSKYAVELQ RPHEITDLVD SAVNAAMTEP DATA SEQUENCE VGPSFISLPV DLLGSSEGID TTVPNPPANT PAKPVGVVAD GWQKAADQAA DATA SEQUENCE ALLAEAKHPV LVVGAAAIRS GAVPAIRALA ERLNIPVITT YIAKGVLPVG DATA SEQUENCE HELNYGAVTG YMDGILNFPA LQTMFAPVDL VLTVGYDYAE DLRPSMWQKG DATA SEQUENCE IEKKTVRISP TVNPIPRVYR PDVDVVTDVL AFVEHFETAT ASFGAKQRHD DATA SEQUENCE IEPLRARIAE FLADPETYED GMRVHQVIDS MNTVMEEAAE PGEGTIVSDI DATA SEQUENCE GFFRHYGVLF ARADQPFGFL TSAGCSSFGY GIPAAIGAQM ARPDQPTFLI DATA SEQUENCE AGDGGFHSNS SDLETIARLN LPIVTVVVNN DTNGLIELYQ NIGHHRSHDP DATA SEQUENCE AVKFGGVDFV ALAEANGVDA TRATNREELL AALRKGAELG RPFLIEVPVN DATA SEQUENCE Y 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 0.000 176.548 176.600 -0.087 0.000 0.988 11 K CA 0.000 56.246 56.287 -0.068 0.000 0.838 11 K CB 0.000 32.473 32.500 -0.045 0.000 1.064 12 P HA -0.012 nan 4.420 nan 0.000 0.265 12 P C -0.157 177.103 177.300 -0.067 0.000 1.193 12 P CA -0.003 62.979 63.100 -0.197 0.000 0.765 12 P CB 0.585 32.028 31.700 -0.429 0.000 0.823 13 T N -1.630 112.920 114.554 -0.006 0.000 2.889 13 T HA 0.587 4.937 4.350 0.000 0.000 0.278 13 T C 1.241 175.980 174.700 0.065 0.000 0.995 13 T CA -0.211 61.904 62.100 0.024 0.000 0.966 13 T CB 0.907 69.781 68.868 0.011 0.000 1.237 13 T HN 0.184 nan 8.240 nan 0.000 0.591 14 A N 0.033 122.885 122.820 0.053 0.000 2.024 14 A HA 0.208 4.529 4.320 0.000 0.000 0.220 14 A C 2.536 180.155 177.584 0.058 0.000 1.164 14 A CA 1.881 53.953 52.037 0.059 0.000 0.643 14 A CB -1.598 17.428 19.000 0.043 0.000 0.806 14 A HN 1.199 nan 8.150 nan 0.000 0.451 15 A N -0.741 122.100 122.820 0.035 0.000 1.877 15 A HA -0.189 4.131 4.320 0.000 0.000 0.216 15 A C 2.008 179.588 177.584 -0.008 0.000 1.186 15 A CA 2.040 54.067 52.037 -0.018 0.000 0.620 15 A CB -0.883 18.058 19.000 -0.097 0.000 0.822 15 A HN 0.796 nan 8.150 nan 0.000 0.443 16 H N -0.371 118.667 119.070 -0.053 0.000 2.321 16 H HA 0.059 4.615 4.556 0.000 0.000 0.300 16 H C 2.173 177.499 175.328 -0.004 0.000 1.087 16 H CA 1.934 57.961 56.048 -0.035 0.000 1.319 16 H CB -0.187 29.558 29.762 -0.029 0.000 1.379 16 H HN 0.394 nan 8.280 nan 0.000 0.501 17 A N 0.647 123.554 122.820 0.145 0.000 1.933 17 A HA -0.129 4.191 4.320 0.000 0.000 0.218 17 A C 2.353 179.959 177.584 0.037 0.000 1.175 17 A CA 1.577 53.672 52.037 0.097 0.000 0.628 17 A CB -0.861 18.207 19.000 0.114 0.000 0.814 17 A HN 0.511 nan 8.150 nan 0.000 0.444 18 L N -0.224 121.024 121.223 0.042 0.000 1.994 18 L HA -0.085 4.255 4.340 0.000 0.000 0.208 18 L C 2.275 179.175 176.870 0.051 0.000 1.071 18 L CA 1.815 56.694 54.840 0.064 0.000 0.745 18 L CB -0.639 41.484 42.059 0.106 0.000 0.892 18 L HN 0.383 nan 8.230 nan 0.000 0.431 19 L N -0.871 120.353 121.223 0.001 0.000 2.083 19 L HA -0.193 4.147 4.340 0.000 0.000 0.209 19 L C 2.755 179.596 176.870 -0.048 0.000 1.083 19 L CA 1.466 56.301 54.840 -0.009 0.000 0.752 19 L CB -0.837 41.187 42.059 -0.058 0.000 0.899 19 L HN 0.463 nan 8.230 nan 0.000 0.433 20 S N -0.020 115.600 115.700 -0.134 0.000 2.370 20 S HA -0.253 4.218 4.470 0.000 0.000 0.226 20 S C 2.202 176.786 174.600 -0.027 0.000 1.033 20 S CA 1.563 59.687 58.200 -0.127 0.000 1.011 20 S CB -0.105 62.980 63.200 -0.192 0.000 0.852 20 S HN 0.254 nan 8.310 nan 0.000 0.457 21 R N 0.844 121.355 120.500 0.018 0.000 2.115 21 R HA 0.244 4.584 4.340 0.000 0.000 0.226 21 R C 2.213 178.600 176.300 0.144 0.000 1.100 21 R CA 1.169 57.312 56.100 0.072 0.000 0.980 21 R CB -0.894 29.465 30.300 0.099 0.000 0.875 21 R HN 0.511 nan 8.270 nan 0.000 0.445 22 L N -0.161 121.134 121.223 0.121 0.000 1.989 22 L HA -0.169 4.171 4.340 0.000 0.000 0.211 22 L C 2.517 179.454 176.870 0.112 0.000 1.071 22 L CA 1.805 56.727 54.840 0.136 0.000 0.749 22 L CB -0.502 41.626 42.059 0.115 0.000 0.890 22 L HN 0.137 nan 8.230 nan 0.000 0.431 23 R N 0.661 121.194 120.500 0.055 0.000 2.103 23 R HA -0.215 4.125 4.340 0.000 0.000 0.242 23 R C 1.820 178.127 176.300 0.012 0.000 1.142 23 R CA 1.939 58.054 56.100 0.025 0.000 0.960 23 R CB -0.561 29.735 30.300 -0.006 0.000 0.858 23 R HN 0.325 nan 8.270 nan 0.000 0.439 24 D N -0.658 119.735 120.400 -0.012 0.000 2.182 24 D HA -0.158 4.482 4.640 0.000 0.000 0.201 24 D C 1.172 177.383 176.300 -0.147 0.000 0.986 24 D CA 1.167 55.112 54.000 -0.091 0.000 0.847 24 D CB -0.270 40.441 40.800 -0.148 0.000 0.942 24 D HN 0.467 nan 8.370 nan 0.000 0.467 25 H N -0.779 118.294 119.070 0.006 0.000 2.543 25 H HA 0.227 4.783 4.556 0.000 0.000 0.269 25 H C 1.389 176.723 175.328 0.011 0.000 1.005 25 H CA 0.832 56.885 56.048 0.007 0.000 1.146 25 H CB 0.450 30.216 29.762 0.008 0.000 1.353 25 H HN 0.218 nan 8.280 nan 0.000 0.595 26 G N 0.711 109.561 108.800 0.082 0.000 2.157 26 G HA2 -0.277 3.683 3.960 0.000 0.000 0.239 26 G HA3 -0.277 3.683 3.960 0.000 0.000 0.239 26 G C 0.281 175.214 174.900 0.055 0.000 0.982 26 G CA 0.258 45.391 45.100 0.055 0.000 0.650 26 G HN 0.217 nan 8.290 nan 0.000 0.527 27 V N 0.741 120.696 119.914 0.068 0.000 2.508 27 V HA 0.557 4.677 4.120 0.000 0.000 0.281 27 V C 1.545 177.655 176.094 0.026 0.000 1.041 27 V CA 1.125 63.458 62.300 0.055 0.000 1.016 27 V CB 1.350 33.217 31.823 0.073 0.000 0.984 27 V HN 0.616 nan 8.190 nan 0.000 0.478 28 G N 4.368 113.170 108.800 0.004 0.000 2.944 28 G HA2 0.175 4.135 3.960 0.000 0.000 0.223 28 G HA3 0.175 4.135 3.960 0.000 0.000 0.223 28 G C 0.441 175.293 174.900 -0.080 0.000 1.071 28 G CA -0.110 44.975 45.100 -0.025 0.000 0.806 28 G HN 0.483 nan 8.290 nan 0.000 0.538 29 K N 0.600 120.926 120.400 -0.122 0.000 2.371 29 K HA 0.653 4.973 4.320 0.000 0.000 0.251 29 K C -1.452 174.967 176.600 -0.303 0.000 0.934 29 K CA -0.672 55.426 56.287 -0.315 0.000 0.798 29 K CB 2.913 35.090 32.500 -0.539 0.000 1.204 29 K HN -0.120 nan 8.250 nan 0.000 0.427 30 V N 3.458 123.107 119.914 -0.441 0.000 2.407 30 V HA 0.422 4.542 4.120 0.000 0.000 0.291 30 V C -0.798 174.810 176.094 -0.810 0.000 1.018 30 V CA -0.850 61.229 62.300 -0.368 0.000 0.842 30 V CB 0.673 32.408 31.823 -0.146 0.000 0.996 30 V HN 0.518 nan 8.190 nan 0.000 0.426 31 F N 2.995 122.691 119.950 -0.423 0.000 2.385 31 F HA 0.873 5.400 4.527 0.000 0.000 0.336 31 F C 1.001 176.551 175.800 -0.417 0.000 1.100 31 F CA 0.409 58.120 58.000 -0.482 0.000 1.116 31 F CB 1.815 40.663 39.000 -0.253 0.000 1.166 31 F HN 0.735 nan 8.300 nan 0.000 0.511 32 G N 0.723 109.357 108.800 -0.277 0.000 2.333 32 G HA2 0.430 4.390 3.960 0.000 0.000 0.288 32 G HA3 0.430 4.390 3.960 0.000 0.000 0.288 32 G C -2.375 172.716 174.900 0.319 0.000 1.286 32 G CA -0.800 44.370 45.100 0.117 0.000 0.865 32 G HN 0.490 nan 8.290 nan 0.000 0.506 33 V N 0.190 120.365 119.914 0.434 0.000 2.577 33 V HA 0.614 4.734 4.120 0.000 0.000 0.303 33 V C 0.039 176.369 176.094 0.394 0.000 1.042 33 V CA -0.722 61.786 62.300 0.346 0.000 0.872 33 V CB 1.461 33.395 31.823 0.184 0.000 0.998 33 V HN 0.771 nan 8.190 nan 0.000 0.423 34 V N 3.794 123.833 119.914 0.208 0.000 2.567 34 V HA 0.783 4.903 4.120 0.000 0.000 0.289 34 V C 0.903 177.095 176.094 0.163 0.000 1.049 34 V CA 0.373 62.778 62.300 0.175 0.000 0.969 34 V CB 1.295 33.030 31.823 -0.146 0.000 0.995 34 V HN 0.982 nan 8.190 nan 0.000 0.471 35 G N 3.267 112.198 108.800 0.218 0.000 2.940 35 G HA2 0.310 4.270 3.960 0.000 0.000 0.164 35 G HA3 0.310 4.270 3.960 0.000 0.000 0.164 35 G C 0.755 175.727 174.900 0.121 0.000 1.326 35 G CA -0.264 44.923 45.100 0.145 0.000 1.020 35 G HN 0.744 nan 8.290 nan 0.000 0.586 36 R N 0.129 120.692 120.500 0.104 0.000 2.316 36 R HA 0.026 4.366 4.340 0.000 0.000 0.202 36 R C 1.574 177.924 176.300 0.084 0.000 1.029 36 R CA 1.582 57.730 56.100 0.080 0.000 1.018 36 R CB -0.166 30.177 30.300 0.071 0.000 0.888 36 R HN 0.549 nan 8.270 nan 0.000 0.471 37 E N 1.480 121.758 120.200 0.130 0.000 2.472 37 E HA -0.107 4.243 4.350 0.000 0.000 0.200 37 E C 1.508 178.160 176.600 0.087 0.000 1.046 37 E CA 0.989 57.475 56.400 0.144 0.000 0.871 37 E CB -0.014 29.848 29.700 0.271 0.000 0.806 37 E HN 0.453 nan 8.360 nan 0.000 0.533 38 A N 1.724 124.579 122.820 0.058 0.000 2.084 38 A HA -0.034 4.286 4.320 0.000 0.000 0.221 38 A C 2.431 179.993 177.584 -0.037 0.000 1.161 38 A CA 1.734 53.760 52.037 -0.019 0.000 0.653 38 A CB -0.595 18.396 19.000 -0.016 0.000 0.802 38 A HN 0.424 nan 8.150 nan 0.000 0.457 39 A N -1.219 121.597 122.820 -0.006 0.000 2.121 39 A HA 0.086 4.406 4.320 0.000 0.000 0.218 39 A C 2.152 179.723 177.584 -0.022 0.000 1.154 39 A CA 1.706 53.737 52.037 -0.011 0.000 0.679 39 A CB -0.298 18.706 19.000 0.007 0.000 0.795 39 A HN 0.419 nan 8.150 nan 0.000 0.458 40 S N -1.732 113.953 115.700 -0.024 0.000 2.505 40 S HA 0.399 4.869 4.470 0.000 0.000 0.216 40 S C 0.211 174.749 174.600 -0.103 0.000 1.018 40 S CA -0.057 58.123 58.200 -0.034 0.000 0.911 40 S CB 0.169 63.374 63.200 0.010 0.000 0.818 40 S HN 0.498 nan 8.310 nan 0.000 0.497 41 I N 0.990 121.446 120.570 -0.189 0.000 2.586 41 I HA 0.314 4.484 4.170 0.000 0.000 0.288 41 I C -0.192 175.642 176.117 -0.471 0.000 1.147 41 I CA -0.455 60.590 61.300 -0.424 0.000 1.047 41 I CB 1.311 38.893 38.000 -0.696 0.000 1.244 41 I HN 0.025 nan 8.210 nan 0.000 0.429 42 L N 6.820 127.815 121.223 -0.379 0.000 2.202 42 L HA 0.207 4.547 4.340 0.000 0.000 0.205 42 L C 0.367 177.148 176.870 -0.150 0.000 1.083 42 L CA 0.918 55.626 54.840 -0.221 0.000 0.790 42 L CB 0.066 42.053 42.059 -0.120 0.000 0.942 42 L HN 0.852 nan 8.230 nan 0.000 0.452 43 F N -0.595 119.228 119.950 -0.212 0.000 2.306 43 F HA -0.213 4.314 4.527 0.000 0.000 0.320 43 F C 0.756 176.497 175.800 -0.098 0.000 0.610 43 F CA 0.617 58.505 58.000 -0.185 0.000 1.806 43 F CB -1.715 37.130 39.000 -0.258 0.000 2.328 43 F HN 0.341 nan 8.300 nan 0.000 0.281 44 D N -0.686 119.724 120.400 0.017 0.000 2.431 44 D HA 0.167 4.807 4.640 0.000 0.000 0.213 44 D C 1.291 177.593 176.300 0.004 0.000 1.130 44 D CA 0.357 54.368 54.000 0.018 0.000 0.834 44 D CB -0.025 40.781 40.800 0.009 0.000 0.985 44 D HN 0.283 nan 8.370 nan 0.000 0.504 45 E N -0.116 120.073 120.200 -0.019 0.000 2.153 45 E HA 0.004 4.354 4.350 0.000 0.000 0.194 45 E C 0.132 176.750 176.600 0.029 0.000 0.988 45 E CA 0.829 57.244 56.400 0.026 0.000 0.811 45 E CB 0.285 29.994 29.700 0.016 0.000 0.746 45 E HN 0.142 nan 8.360 nan 0.000 0.466 46 V N 1.204 121.098 119.914 -0.034 0.000 2.525 46 V HA 0.125 4.245 4.120 0.000 0.000 0.299 46 V C -0.339 175.743 176.094 -0.021 0.000 1.034 46 V CA -0.979 61.281 62.300 -0.068 0.000 0.863 46 V CB 1.685 33.412 31.823 -0.159 0.000 0.999 46 V HN 0.054 nan 8.190 nan 0.000 0.423 47 E N 3.118 123.314 120.200 -0.007 0.000 2.414 47 E HA 0.379 4.729 4.350 0.000 0.000 0.263 47 E C 1.205 177.801 176.600 -0.007 0.000 1.000 47 E CA 1.146 57.545 56.400 -0.001 0.000 0.914 47 E CB 0.647 30.350 29.700 0.006 0.000 0.948 47 E HN 1.069 nan 8.360 nan 0.000 0.444 48 G N 3.921 112.719 108.800 -0.005 0.000 2.195 48 G HA2 -0.251 3.710 3.960 0.000 0.000 0.224 48 G HA3 -0.251 3.710 3.960 0.000 0.000 0.224 48 G C 0.051 174.945 174.900 -0.010 0.000 0.990 48 G CA 0.058 45.153 45.100 -0.007 0.000 0.639 48 G HN 0.580 nan 8.290 nan 0.000 0.514 49 I N 1.818 122.385 120.570 -0.006 0.000 2.439 49 I HA 0.506 4.676 4.170 0.000 0.000 0.285 49 I C -1.505 174.615 176.117 0.004 0.000 1.021 49 I CA -0.898 60.400 61.300 -0.004 0.000 1.091 49 I CB 1.295 39.304 38.000 0.015 0.000 1.242 49 I HN -0.054 nan 8.210 nan 0.000 0.439 50 D N 7.137 127.511 120.400 -0.044 0.000 2.248 50 D HA 0.260 4.900 4.640 0.000 0.000 0.246 50 D C -0.848 175.378 176.300 -0.124 0.000 1.027 50 D CA -0.073 53.897 54.000 -0.050 0.000 0.853 50 D CB 2.192 42.943 40.800 -0.081 0.000 1.243 50 D HN 0.260 nan 8.370 nan 0.000 0.462 51 F N 1.463 121.269 119.950 -0.241 0.000 2.443 51 F HA 0.240 4.767 4.527 0.000 0.000 0.353 51 F C -0.121 175.476 175.800 -0.339 0.000 1.101 51 F CA -0.235 57.523 58.000 -0.404 0.000 1.226 51 F CB 0.778 39.438 39.000 -0.567 0.000 1.140 51 F HN -0.021 nan 8.300 nan 0.000 0.557 52 V N 7.967 127.330 119.914 -0.919 0.000 2.304 52 V HA 0.204 4.324 4.120 0.000 0.000 0.278 52 V C -0.495 175.314 176.094 -0.476 0.000 1.018 52 V CA -0.861 61.093 62.300 -0.578 0.000 0.814 52 V CB 0.959 32.349 31.823 -0.723 0.000 1.021 52 V HN 0.577 nan 8.190 nan 0.000 0.440 53 L N 6.414 127.593 121.223 -0.073 0.000 2.360 53 L HA 0.587 4.927 4.340 0.000 0.000 0.276 53 L C 0.728 177.636 176.870 0.063 0.000 1.121 53 L CA 0.969 55.881 54.840 0.120 0.000 0.845 53 L CB 1.197 43.376 42.059 0.200 0.000 1.143 53 L HN 0.876 nan 8.230 nan 0.000 0.452 54 T N 1.853 116.458 114.554 0.084 0.000 2.938 54 T HA 0.533 4.883 4.350 0.000 0.000 0.285 54 T C 0.962 175.719 174.700 0.095 0.000 1.028 54 T CA -0.813 61.334 62.100 0.079 0.000 1.005 54 T CB 1.309 70.221 68.868 0.073 0.000 1.157 54 T HN 0.512 nan 8.240 nan 0.000 0.550 55 R N -0.235 120.320 120.500 0.093 0.000 2.210 55 R HA 0.232 4.572 4.340 0.000 0.000 0.203 55 R C 0.558 176.954 176.300 0.159 0.000 1.010 55 R CA 0.574 56.736 56.100 0.102 0.000 1.008 55 R CB -0.730 29.614 30.300 0.074 0.000 0.923 55 R HN 0.795 nan 8.270 nan 0.000 0.469 56 H N -0.519 118.587 119.070 0.061 0.000 2.996 56 H HA 0.155 4.712 4.556 0.000 0.000 0.368 56 H C -0.185 175.203 175.328 0.101 0.000 1.185 56 H CA -0.259 55.839 56.048 0.082 0.000 1.160 56 H CB 1.933 31.747 29.762 0.087 0.000 1.820 56 H HN -0.219 nan 8.280 nan 0.000 0.547 57 E N 2.694 122.829 120.200 -0.108 0.000 2.153 57 E HA -0.112 4.238 4.350 0.000 0.000 0.194 57 E C 1.547 178.258 176.600 0.185 0.000 0.988 57 E CA 1.116 57.538 56.400 0.037 0.000 0.811 57 E CB -0.061 29.617 29.700 -0.038 0.000 0.746 57 E HN 0.459 nan 8.360 nan 0.000 0.466 58 F N 1.440 121.566 119.950 0.293 0.000 2.120 58 F HA -0.270 4.257 4.527 0.000 0.000 0.300 58 F C 2.000 177.847 175.800 0.078 0.000 1.095 58 F CA 1.813 59.937 58.000 0.207 0.000 1.249 58 F CB -0.688 38.452 39.000 0.232 0.000 0.995 58 F HN -0.072 nan 8.300 nan 0.000 0.480 59 T N 0.822 115.340 114.554 -0.060 0.000 2.684 59 T HA -0.187 4.163 4.350 0.000 0.000 0.267 59 T C 2.250 176.784 174.700 -0.277 0.000 1.036 59 T CA 1.595 63.547 62.100 -0.247 0.000 1.148 59 T CB -0.961 67.878 68.868 -0.048 0.000 0.863 59 T HN 0.401 nan 8.240 nan 0.000 0.436 60 A N 1.462 124.210 122.820 -0.120 0.000 1.883 60 A HA 0.077 4.397 4.320 0.000 0.000 0.217 60 A C 2.639 180.097 177.584 -0.210 0.000 1.186 60 A CA 1.975 53.953 52.037 -0.099 0.000 0.624 60 A CB -1.443 17.586 19.000 0.049 0.000 0.822 60 A HN 0.516 nan 8.150 nan 0.000 0.444 61 G N -0.607 108.094 108.800 -0.166 0.000 2.433 61 G HA2 -0.130 3.830 3.960 0.000 0.000 0.216 61 G HA3 -0.130 3.830 3.960 0.000 0.000 0.216 61 G C 1.520 176.249 174.900 -0.285 0.000 1.186 61 G CA 1.352 46.355 45.100 -0.161 0.000 0.779 61 G HN 0.341 nan 8.290 nan 0.000 0.543 62 V N 1.612 121.261 119.914 -0.442 0.000 2.358 62 V HA -0.096 4.024 4.120 0.000 0.000 0.246 62 V C 3.332 179.121 176.094 -0.508 0.000 1.047 62 V CA 1.892 63.903 62.300 -0.481 0.000 1.035 62 V CB -0.876 30.516 31.823 -0.719 0.000 0.658 62 V HN 0.481 nan 8.190 nan 0.000 0.452 63 A N 0.159 122.609 122.820 -0.617 0.000 1.908 63 A HA -0.165 4.155 4.320 0.000 0.000 0.218 63 A C 2.419 179.475 177.584 -0.879 0.000 1.181 63 A CA 2.258 53.820 52.037 -0.792 0.000 0.627 63 A CB -0.741 17.629 19.000 -1.050 0.000 0.818 63 A HN 0.577 nan 8.150 nan 0.000 0.445 64 A N -0.167 122.167 122.820 -0.811 0.000 1.898 64 A HA -0.192 4.128 4.320 0.000 0.000 0.216 64 A C 1.959 179.401 177.584 -0.238 0.000 1.181 64 A CA 1.755 53.537 52.037 -0.426 0.000 0.620 64 A CB -0.647 18.249 19.000 -0.172 0.000 0.819 64 A HN 0.654 nan 8.150 nan 0.000 0.442 65 D N 0.094 120.357 120.400 -0.229 0.000 2.116 65 D HA -0.156 4.484 4.640 0.000 0.000 0.193 65 D C 1.853 178.046 176.300 -0.177 0.000 0.998 65 D CA 2.112 56.017 54.000 -0.158 0.000 0.836 65 D CB -0.008 40.719 40.800 -0.121 0.000 0.951 65 D HN 0.225 nan 8.370 nan 0.000 0.449 66 V N 0.886 120.658 119.914 -0.236 0.000 2.453 66 V HA -0.176 3.944 4.120 0.000 0.000 0.247 66 V C 2.577 178.555 176.094 -0.194 0.000 1.048 66 V CA 0.847 63.010 62.300 -0.229 0.000 1.049 66 V CB -0.394 31.268 31.823 -0.269 0.000 0.672 66 V HN 0.203 nan 8.190 nan 0.000 0.457 67 L N 1.080 122.194 121.223 -0.182 0.000 2.046 67 L HA -0.096 4.244 4.340 0.000 0.000 0.208 67 L C 2.494 179.325 176.870 -0.066 0.000 1.077 67 L CA 2.352 57.138 54.840 -0.090 0.000 0.747 67 L CB -0.980 41.065 42.059 -0.024 0.000 0.896 67 L HN 0.240 nan 8.230 nan 0.000 0.432 68 A N -0.442 122.331 122.820 -0.078 0.000 1.908 68 A HA -0.275 4.045 4.320 0.000 0.000 0.218 68 A C 2.525 180.058 177.584 -0.084 0.000 1.181 68 A CA 1.926 53.928 52.037 -0.057 0.000 0.627 68 A CB -0.656 18.311 19.000 -0.053 0.000 0.818 68 A HN 0.530 nan 8.150 nan 0.000 0.445 69 R N -0.247 120.154 120.500 -0.164 0.000 2.070 69 R HA -0.070 4.270 4.340 0.000 0.000 0.233 69 R C 1.915 178.051 176.300 -0.274 0.000 1.137 69 R CA 1.973 57.894 56.100 -0.298 0.000 0.945 69 R CB -0.404 29.601 30.300 -0.491 0.000 0.845 69 R HN 0.515 nan 8.270 nan 0.000 0.430 70 I N 0.621 121.074 120.570 -0.194 0.000 2.353 70 I HA -0.192 3.978 4.170 0.000 0.000 0.248 70 I C 2.377 178.534 176.117 0.067 0.000 1.119 70 I CA 1.631 62.924 61.300 -0.012 0.000 1.417 70 I CB -0.332 37.667 38.000 -0.003 0.000 1.078 70 I HN 0.438 nan 8.210 nan 0.000 0.421 71 T N -1.980 112.590 114.554 0.026 0.000 2.942 71 T HA 0.102 4.452 4.350 0.000 0.000 0.265 71 T C 1.742 176.474 174.700 0.053 0.000 1.062 71 T CA 0.734 62.860 62.100 0.044 0.000 1.139 71 T CB -0.094 68.794 68.868 0.033 0.000 0.883 71 T HN 0.506 nan 8.240 nan 0.000 0.468 72 G N 1.655 110.482 108.800 0.044 0.000 2.148 72 G HA2 -0.246 3.714 3.960 0.000 0.000 0.254 72 G HA3 -0.246 3.714 3.960 0.000 0.000 0.254 72 G C 0.085 175.006 174.900 0.035 0.000 0.981 72 G CA 0.093 45.223 45.100 0.050 0.000 0.670 72 G HN 0.731 nan 8.290 nan 0.000 0.528 73 R N 0.522 121.039 120.500 0.029 0.000 2.711 73 R HA 0.500 4.840 4.340 0.000 0.000 0.284 73 R C -2.549 173.764 176.300 0.023 0.000 0.968 73 R CA -2.120 53.999 56.100 0.032 0.000 0.924 73 R CB 1.910 32.235 30.300 0.042 0.000 1.162 73 R HN 0.045 nan 8.270 nan 0.000 0.465 74 P HA -0.068 nan 4.420 nan 0.000 0.265 74 P C -0.882 176.435 177.300 0.028 0.000 1.193 74 P CA 0.282 63.386 63.100 0.006 0.000 0.765 74 P CB 0.776 32.460 31.700 -0.027 0.000 0.823 75 Q N 0.704 120.523 119.800 0.031 0.000 2.552 75 Q HA 0.804 5.144 4.340 0.000 0.000 0.289 75 Q C -0.774 175.276 176.000 0.084 0.000 1.097 75 Q CA -0.981 54.864 55.803 0.069 0.000 0.812 75 Q CB 2.609 31.392 28.738 0.075 0.000 1.460 75 Q HN 0.520 nan 8.270 nan 0.000 0.452 76 A N 0.279 123.182 122.820 0.139 0.000 2.449 76 A HA 0.794 5.114 4.320 0.000 0.000 0.302 76 A C -0.499 177.211 177.584 0.210 0.000 1.048 76 A CA -0.534 51.597 52.037 0.156 0.000 0.708 76 A CB 0.797 19.892 19.000 0.158 0.000 1.274 76 A HN 0.834 nan 8.150 nan 0.000 0.410 77 C N -0.222 119.197 119.300 0.198 0.000 3.080 77 C HA 0.965 5.425 4.460 0.000 0.000 0.307 77 C C -1.052 174.116 174.990 0.296 0.000 1.311 77 C CA -0.940 58.207 59.018 0.215 0.000 1.533 77 C CB 1.389 29.205 27.740 0.127 0.000 1.970 77 C HN 1.067 nan 8.230 nan 0.000 0.467 78 W N 1.323 122.688 121.300 0.109 0.000 3.097 78 W HA 0.649 5.309 4.660 0.000 0.000 0.335 78 W C -0.995 175.633 176.519 0.180 0.000 1.114 78 W CA -0.035 57.422 57.345 0.186 0.000 1.231 78 W CB 2.162 31.797 29.460 0.291 0.000 1.388 78 W HN 1.307 nan 8.180 nan 0.000 0.485 79 A N 2.694 125.401 122.820 -0.189 0.000 2.569 79 A HA 0.658 4.978 4.320 0.000 0.000 0.290 79 A C -0.708 176.799 177.584 -0.128 0.000 1.136 79 A CA -0.437 51.601 52.037 0.001 0.000 0.710 79 A CB 1.833 20.845 19.000 0.020 0.000 1.303 79 A HN 0.459 nan 8.150 nan 0.000 0.413 80 T N -0.122 114.471 114.554 0.066 0.000 2.771 80 T HA 0.522 4.872 4.350 0.000 0.000 0.290 80 T C 0.561 175.268 174.700 0.011 0.000 1.005 80 T CA -0.060 62.086 62.100 0.077 0.000 0.944 80 T CB -0.074 68.872 68.868 0.130 0.000 1.147 80 T HN 1.088 nan 8.240 nan 0.000 0.534 81 L N 0.053 121.290 121.223 0.023 0.000 2.472 81 L HA 0.602 4.942 4.340 0.000 0.000 0.260 81 L C 1.296 178.165 176.870 -0.002 0.000 1.209 81 L CA -0.090 54.754 54.840 0.008 0.000 0.817 81 L CB -0.815 41.250 42.059 0.010 0.000 1.106 81 L HN 0.933 nan 8.230 nan 0.000 0.479 82 G N 1.655 110.448 108.800 -0.011 0.000 2.620 82 G HA2 -0.324 3.636 3.960 0.000 0.000 0.315 82 G HA3 -0.324 3.636 3.960 0.000 0.000 0.315 82 G C -1.071 173.811 174.900 -0.030 0.000 1.179 82 G CA 0.368 45.451 45.100 -0.029 0.000 0.971 82 G HN 0.765 nan 8.290 nan 0.000 0.544 83 P HA -0.012 nan 4.420 nan 0.000 0.222 83 P C 1.952 179.235 177.300 -0.030 0.000 1.147 83 P CA 2.429 65.512 63.100 -0.029 0.000 0.790 83 P CB -0.698 30.986 31.700 -0.026 0.000 0.780 84 G N 0.712 109.501 108.800 -0.018 0.000 2.459 84 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 84 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 84 G C 1.567 176.456 174.900 -0.018 0.000 1.183 84 G CA 1.034 46.127 45.100 -0.012 0.000 0.776 84 G HN 0.159 nan 8.290 nan 0.000 0.552 85 M N 1.914 121.504 119.600 -0.018 0.000 2.080 85 M HA -0.124 4.356 4.480 0.000 0.000 0.260 85 M C 2.780 179.042 176.300 -0.064 0.000 1.068 85 M CA 2.560 57.840 55.300 -0.033 0.000 1.109 85 M CB -1.160 31.427 32.600 -0.021 0.000 1.342 85 M HN 0.409 nan 8.290 nan 0.000 0.405 86 T N -1.086 113.436 114.554 -0.053 0.000 2.833 86 T HA -0.113 4.237 4.350 0.000 0.000 0.269 86 T C 1.557 176.252 174.700 -0.008 0.000 1.054 86 T CA 1.630 63.704 62.100 -0.044 0.000 1.135 86 T CB -0.672 68.175 68.868 -0.035 0.000 0.869 86 T HN 0.337 nan 8.240 nan 0.000 0.466 87 N N 1.270 119.966 118.700 -0.006 0.000 2.188 87 N HA 0.042 4.782 4.740 0.000 0.000 0.184 87 N C 1.652 177.213 175.510 0.085 0.000 1.018 87 N CA 0.704 53.769 53.050 0.024 0.000 0.858 87 N CB -0.684 37.711 38.487 -0.154 0.000 0.989 87 N HN 0.282 nan 8.380 nan 0.000 0.426 88 L N 1.090 122.335 121.223 0.036 0.000 2.141 88 L HA -0.074 4.266 4.340 0.000 0.000 0.209 88 L C 2.207 179.110 176.870 0.056 0.000 1.094 88 L CA 1.217 56.091 54.840 0.058 0.000 0.763 88 L CB -0.879 41.198 42.059 0.030 0.000 0.908 88 L HN 0.227 nan 8.230 nan 0.000 0.437 89 S N -2.538 113.167 115.700 0.008 0.000 2.400 89 S HA -0.212 4.258 4.470 0.000 0.000 0.232 89 S C 1.846 176.473 174.600 0.044 0.000 1.025 89 S CA 1.647 59.831 58.200 -0.026 0.000 0.993 89 S CB -1.096 62.058 63.200 -0.077 0.000 0.808 89 S HN 0.522 nan 8.310 nan 0.000 0.478 90 T N 1.632 116.258 114.554 0.121 0.000 2.788 90 T HA 0.056 4.406 4.350 0.000 0.000 0.268 90 T C 1.990 176.872 174.700 0.303 0.000 1.044 90 T CA 1.309 63.528 62.100 0.198 0.000 1.139 90 T CB -1.051 67.932 68.868 0.191 0.000 0.867 90 T HN 0.650 nan 8.240 nan 0.000 0.454 91 G N 1.385 110.354 108.800 0.282 0.000 2.402 91 G HA2 -0.109 3.851 3.960 0.000 0.000 0.216 91 G HA3 -0.109 3.851 3.960 0.000 0.000 0.216 91 G C 1.511 176.445 174.900 0.057 0.000 1.162 91 G CA 0.399 45.568 45.100 0.114 0.000 0.777 91 G HN 0.495 nan 8.290 nan 0.000 0.539 92 I N 1.442 122.039 120.570 0.045 0.000 2.226 92 I HA -0.183 3.987 4.170 0.000 0.000 0.245 92 I C 3.274 179.403 176.117 0.020 0.000 1.100 92 I CA 0.998 62.309 61.300 0.017 0.000 1.374 92 I CB -0.215 37.770 38.000 -0.024 0.000 1.057 92 I HN 0.237 nan 8.210 nan 0.000 0.413 93 A N 0.346 123.186 122.820 0.033 0.000 1.933 93 A HA -0.192 4.129 4.320 0.000 0.000 0.218 93 A C 2.382 179.990 177.584 0.041 0.000 1.175 93 A CA 2.347 54.401 52.037 0.028 0.000 0.628 93 A CB -1.039 17.980 19.000 0.030 0.000 0.814 93 A HN 0.387 nan 8.150 nan 0.000 0.444 94 T N -0.512 114.091 114.554 0.081 0.000 2.708 94 T HA -0.157 4.193 4.350 0.000 0.000 0.266 94 T C 2.297 177.018 174.700 0.035 0.000 1.037 94 T CA 1.852 64.002 62.100 0.084 0.000 1.146 94 T CB -0.375 68.585 68.868 0.154 0.000 0.865 94 T HN 0.573 nan 8.240 nan 0.000 0.435 95 S N 0.206 115.918 115.700 0.021 0.000 2.382 95 S HA -0.085 4.385 4.470 0.000 0.000 0.228 95 S C 2.165 176.764 174.600 -0.002 0.000 1.027 95 S CA 1.156 59.356 58.200 0.001 0.000 0.991 95 S CB -0.549 62.649 63.200 -0.003 0.000 0.823 95 S HN 0.268 nan 8.310 nan 0.000 0.469 96 V N 0.943 120.859 119.914 0.003 0.000 2.453 96 V HA 0.048 4.169 4.120 0.000 0.000 0.247 96 V C 2.140 178.228 176.094 -0.011 0.000 1.048 96 V CA 1.698 63.997 62.300 -0.001 0.000 1.049 96 V CB -0.266 31.558 31.823 0.001 0.000 0.672 96 V HN 0.551 nan 8.190 nan 0.000 0.457 97 L N -0.731 120.482 121.223 -0.016 0.000 2.249 97 L HA 0.044 4.384 4.340 0.000 0.000 0.207 97 L C 1.888 178.731 176.870 -0.044 0.000 1.090 97 L CA 1.027 55.847 54.840 -0.033 0.000 0.802 97 L CB -0.296 41.740 42.059 -0.039 0.000 0.947 97 L HN 0.285 nan 8.230 nan 0.000 0.453 98 D N 0.028 120.407 120.400 -0.035 0.000 2.349 98 D HA 0.012 4.652 4.640 0.000 0.000 0.215 98 D C -0.181 176.098 176.300 -0.035 0.000 1.016 98 D CA 0.146 54.120 54.000 -0.042 0.000 0.870 98 D CB 0.249 41.029 40.800 -0.034 0.000 0.917 98 D HN -0.016 nan 8.370 nan 0.000 0.524 99 R N 0.437 120.921 120.500 -0.027 0.000 2.288 99 R HA -0.107 4.233 4.340 0.000 0.000 0.345 99 R C -0.597 175.685 176.300 -0.030 0.000 1.094 99 R CA 0.234 56.321 56.100 -0.022 0.000 0.897 99 R CB -3.116 27.175 30.300 -0.015 0.000 2.636 99 R HN 0.319 nan 8.270 nan 0.000 0.491 100 S N 0.281 115.963 115.700 -0.029 0.000 2.533 100 S HA 0.699 5.169 4.470 0.000 0.000 0.271 100 S C -2.931 171.654 174.600 -0.025 0.000 1.143 100 S CA -1.531 56.645 58.200 -0.040 0.000 0.891 100 S CB 3.563 66.722 63.200 -0.068 0.000 1.105 100 S HN 0.198 nan 8.310 nan 0.000 0.468 101 P HA 0.334 nan 4.420 nan 0.000 0.256 101 P C -0.797 176.495 177.300 -0.012 0.000 1.689 101 P CA -0.237 62.854 63.100 -0.016 0.000 1.124 101 P CB 0.288 31.978 31.700 -0.017 0.000 1.766 102 V N 5.245 125.158 119.914 -0.001 0.000 2.483 102 V HA 0.307 4.427 4.120 0.000 0.000 0.295 102 V C 0.561 176.676 176.094 0.035 0.000 1.035 102 V CA -0.781 61.527 62.300 0.013 0.000 0.896 102 V CB 2.048 33.875 31.823 0.007 0.000 0.986 102 V HN 0.282 nan 8.190 nan 0.000 0.447 103 I N 4.263 124.860 120.570 0.045 0.000 2.297 103 I HA 0.486 4.656 4.170 0.000 0.000 0.291 103 I C 0.584 176.763 176.117 0.102 0.000 1.033 103 I CA -0.290 61.048 61.300 0.063 0.000 1.253 103 I CB 0.805 38.828 38.000 0.038 0.000 1.396 103 I HN 0.669 nan 8.210 nan 0.000 0.476 104 A N 8.318 131.219 122.820 0.135 0.000 2.274 104 A HA 0.793 5.113 4.320 0.000 0.000 0.309 104 A C -0.395 177.269 177.584 0.133 0.000 1.226 104 A CA -0.445 51.698 52.037 0.177 0.000 0.853 104 A CB 0.588 19.733 19.000 0.241 0.000 1.146 104 A HN 0.690 nan 8.150 nan 0.000 0.518 105 L N 2.121 123.360 121.223 0.027 0.000 2.362 105 L HA 0.771 5.111 4.340 0.000 0.000 0.275 105 L C 0.165 176.758 176.870 -0.462 0.000 0.998 105 L CA -0.384 54.309 54.840 -0.245 0.000 0.820 105 L CB 2.081 44.037 42.059 -0.171 0.000 1.270 105 L HN 0.773 nan 8.230 nan 0.000 0.415 106 A N 2.243 124.783 122.820 -0.466 0.000 2.422 106 A HA 0.878 5.198 4.320 0.000 0.000 0.302 106 A C -0.248 177.109 177.584 -0.378 0.000 1.041 106 A CA -0.460 51.342 52.037 -0.391 0.000 0.708 106 A CB 1.568 20.608 19.000 0.068 0.000 1.257 106 A HN 0.776 nan 8.150 nan 0.000 0.414 107 A N 0.980 123.598 122.820 -0.337 0.000 2.429 107 A HA 0.535 4.855 4.320 0.000 0.000 0.242 107 A C 0.217 177.764 177.584 -0.062 0.000 1.088 107 A CA 0.513 52.476 52.037 -0.124 0.000 0.784 107 A CB 0.312 19.329 19.000 0.028 0.000 1.038 107 A HN 1.185 nan 8.150 nan 0.000 0.501 108 Q N -0.202 119.575 119.800 -0.038 0.000 2.501 108 Q HA 0.518 4.858 4.340 0.000 0.000 0.288 108 Q C -0.449 175.535 176.000 -0.026 0.000 1.051 108 Q CA -0.293 55.492 55.803 -0.030 0.000 0.788 108 Q CB 1.644 30.354 28.738 -0.047 0.000 1.469 108 Q HN 0.761 nan 8.270 nan 0.000 0.416 109 S N 1.716 117.396 115.700 -0.034 0.000 2.550 109 S HA 0.021 4.491 4.470 0.000 0.000 0.285 109 S C -0.569 173.977 174.600 -0.089 0.000 1.326 109 S CA -0.013 58.157 58.200 -0.050 0.000 1.037 109 S CB 0.001 63.163 63.200 -0.063 0.000 0.838 109 S HN 0.556 nan 8.310 nan 0.000 0.519 110 E N 1.772 121.904 120.200 -0.112 0.000 2.708 110 E HA -0.056 4.294 4.350 0.000 0.000 0.260 110 E C 1.369 177.813 176.600 -0.261 0.000 0.937 110 E CA 0.599 56.896 56.400 -0.172 0.000 0.953 110 E CB 0.240 29.785 29.700 -0.259 0.000 0.915 110 E HN 0.643 nan 8.360 nan 0.000 0.487 111 S N 3.515 119.132 115.700 -0.138 0.000 2.365 111 S HA -0.310 4.160 4.470 0.000 0.000 0.225 111 S C 1.682 176.190 174.600 -0.155 0.000 1.039 111 S CA 1.735 59.869 58.200 -0.109 0.000 1.033 111 S CB -0.593 62.594 63.200 -0.021 0.000 0.887 111 S HN 0.793 nan 8.310 nan 0.000 0.447 112 H N -0.158 118.866 119.070 -0.077 0.000 2.563 112 H HA 0.202 4.758 4.556 0.000 0.000 0.272 112 H C 0.451 175.707 175.328 -0.120 0.000 1.005 112 H CA 1.205 57.205 56.048 -0.081 0.000 1.171 112 H CB -0.341 29.410 29.762 -0.017 0.000 1.351 112 H HN 0.488 nan 8.280 nan 0.000 0.602 113 D N 0.572 120.667 120.400 -0.509 0.000 2.501 113 D HA 0.205 4.845 4.640 0.000 0.000 0.224 113 D C -0.101 175.974 176.300 -0.375 0.000 1.202 113 D CA -0.324 53.482 54.000 -0.324 0.000 0.829 113 D CB -0.012 40.615 40.800 -0.290 0.000 1.023 113 D HN 0.272 nan 8.370 nan 0.000 0.499 114 I N 1.586 121.838 120.570 -0.531 0.000 2.389 114 I HA 0.119 4.289 4.170 0.000 0.000 0.295 114 I C -0.578 175.142 176.117 -0.661 0.000 1.117 114 I CA 0.142 61.194 61.300 -0.414 0.000 1.317 114 I CB -0.026 37.812 38.000 -0.271 0.000 1.431 114 I HN -0.093 nan 8.210 nan 0.000 0.521 115 F N 7.389 127.329 119.950 -0.017 0.000 2.691 115 F HA 0.388 4.915 4.527 0.000 0.000 0.371 115 F C -2.274 173.521 175.800 -0.008 0.000 1.159 115 F CA -2.722 55.273 58.000 -0.008 0.000 1.174 115 F CB 0.723 39.722 39.000 -0.001 0.000 1.419 115 F HN 0.247 nan 8.300 nan 0.000 0.514 116 P HA 0.047 nan 4.420 nan 0.000 0.262 116 P C 0.105 177.445 177.300 0.066 0.000 1.182 116 P CA 0.712 63.847 63.100 0.058 0.000 0.761 116 P CB 0.399 32.117 31.700 0.030 0.000 0.795 117 N N 1.079 119.804 118.700 0.041 0.000 2.863 117 N HA -0.178 4.562 4.740 0.000 0.000 0.245 117 N C 0.210 175.744 175.510 0.041 0.000 1.001 117 N CA 1.369 54.437 53.050 0.029 0.000 0.901 117 N CB -1.497 37.002 38.487 0.020 0.000 1.124 117 N HN 0.522 nan 8.380 nan 0.000 0.582 118 D N -0.926 119.518 120.400 0.074 0.000 2.753 118 D HA 0.078 4.718 4.640 0.000 0.000 0.291 118 D C 0.216 176.573 176.300 0.095 0.000 1.075 118 D CA 0.621 54.662 54.000 0.069 0.000 0.946 118 D CB -0.011 40.819 40.800 0.050 0.000 1.376 118 D HN 0.037 nan 8.370 nan 0.000 0.482 119 T N 1.573 116.221 114.554 0.156 0.000 2.916 119 T HA -0.030 4.320 4.350 0.000 0.000 0.303 119 T C 0.359 175.132 174.700 0.122 0.000 1.025 119 T CA -0.011 62.185 62.100 0.161 0.000 1.142 119 T CB 0.570 69.549 68.868 0.185 0.000 0.947 119 T HN 0.078 nan 8.240 nan 0.000 0.544 120 H N 3.295 122.392 119.070 0.045 0.000 3.192 120 H HA -0.086 4.470 4.556 0.000 0.000 0.295 120 H C 0.955 176.299 175.328 0.027 0.000 0.943 120 H CA 1.146 57.213 56.048 0.031 0.000 1.416 120 H CB 0.138 29.916 29.762 0.027 0.000 1.434 120 H HN 0.804 nan 8.280 nan 0.000 0.565 121 Q N 1.253 120.847 119.800 -0.344 0.000 2.416 121 Q HA -0.244 4.096 4.340 0.000 0.000 0.235 121 Q C -0.046 175.910 176.000 -0.073 0.000 0.773 121 Q CA 0.999 56.676 55.803 -0.210 0.000 1.286 121 Q CB -1.707 26.942 28.738 -0.148 0.000 1.556 121 Q HN 0.541 nan 8.270 nan 0.000 0.650 122 C N 1.643 120.921 119.300 -0.036 0.000 2.246 122 C HA 0.610 5.070 4.460 0.000 0.000 0.329 122 C C 0.282 175.268 174.990 -0.008 0.000 1.221 122 C CA -0.463 58.551 59.018 -0.007 0.000 1.697 122 C CB -0.560 27.194 27.740 0.023 0.000 2.312 122 C HN 0.302 nan 8.230 nan 0.000 0.509 123 L N 4.533 125.748 121.223 -0.013 0.000 2.333 123 L HA 0.432 4.772 4.340 0.000 0.000 0.269 123 L C 0.124 176.990 176.870 -0.007 0.000 1.010 123 L CA -0.514 54.319 54.840 -0.013 0.000 0.818 123 L CB 1.217 43.261 42.059 -0.024 0.000 1.306 123 L HN 0.466 nan 8.230 nan 0.000 0.430 124 D N 0.575 120.970 120.400 -0.009 0.000 2.545 124 D HA 0.061 4.701 4.640 0.000 0.000 0.227 124 D C 0.945 177.242 176.300 -0.005 0.000 1.150 124 D CA 0.209 54.205 54.000 -0.006 0.000 1.046 124 D CB 0.627 41.422 40.800 -0.008 0.000 1.098 124 D HN 0.461 nan 8.370 nan 0.000 0.502 125 S N 0.894 116.608 115.700 0.024 0.000 2.365 125 S HA -0.164 4.306 4.470 0.000 0.000 0.225 125 S C 2.189 176.808 174.600 0.031 0.000 1.039 125 S CA 0.932 59.154 58.200 0.036 0.000 1.033 125 S CB -0.036 63.295 63.200 0.219 0.000 0.887 125 S HN 0.439 nan 8.310 nan 0.000 0.447 126 V N 2.097 122.094 119.914 0.139 0.000 2.287 126 V HA -0.235 3.885 4.120 0.000 0.000 0.248 126 V C 2.674 178.771 176.094 0.005 0.000 1.053 126 V CA 1.775 64.150 62.300 0.125 0.000 1.027 126 V CB -1.301 30.569 31.823 0.077 0.000 0.646 126 V HN 0.567 nan 8.190 nan 0.000 0.447 127 A N -0.302 122.509 122.820 -0.014 0.000 1.933 127 A HA -0.156 4.164 4.320 0.000 0.000 0.218 127 A C 2.174 179.725 177.584 -0.056 0.000 1.175 127 A CA 1.876 53.894 52.037 -0.032 0.000 0.628 127 A CB -0.520 18.466 19.000 -0.024 0.000 0.814 127 A HN 0.526 nan 8.150 nan 0.000 0.444 128 I N -0.790 119.733 120.570 -0.079 0.000 2.252 128 I HA -0.165 4.005 4.170 0.000 0.000 0.245 128 I C 2.150 178.178 176.117 -0.148 0.000 1.102 128 I CA 1.025 62.262 61.300 -0.105 0.000 1.385 128 I CB -0.093 37.839 38.000 -0.113 0.000 1.064 128 I HN 0.143 nan 8.210 nan 0.000 0.414 129 V N 0.541 120.318 119.914 -0.229 0.000 2.878 129 V HA -0.040 4.080 4.120 0.000 0.000 0.250 129 V C 2.596 178.604 176.094 -0.144 0.000 1.075 129 V CA 1.193 63.321 62.300 -0.287 0.000 1.096 129 V CB -0.540 30.870 31.823 -0.689 0.000 0.724 129 V HN 0.417 nan 8.190 nan 0.000 0.467 130 A N 1.184 123.953 122.820 -0.085 0.000 1.903 130 A HA -0.200 4.120 4.320 0.000 0.000 0.219 130 A C 0.526 178.090 177.584 -0.034 0.000 1.191 130 A CA 2.424 54.437 52.037 -0.041 0.000 0.638 130 A CB -1.976 17.004 19.000 -0.034 0.000 0.823 130 A HN 0.551 nan 8.150 nan 0.000 0.451 131 P HA -0.084 nan 4.420 nan 0.000 0.225 131 P C 1.077 178.361 177.300 -0.027 0.000 1.148 131 P CA 1.427 64.509 63.100 -0.030 0.000 0.779 131 P CB -0.131 31.549 31.700 -0.034 0.000 0.780 132 M N -3.040 116.538 119.600 -0.037 0.000 2.685 132 M HA 0.381 4.861 4.480 0.000 0.000 0.355 132 M C -0.279 176.012 176.300 -0.016 0.000 1.197 132 M CA -0.411 54.871 55.300 -0.030 0.000 0.947 132 M CB 0.519 33.093 32.600 -0.043 0.000 1.346 132 M HN -0.260 nan 8.290 nan 0.000 0.516 133 S N -1.310 114.391 115.700 0.001 0.000 2.618 133 S HA 0.586 5.056 4.470 0.000 0.000 0.277 133 S C 0.278 174.914 174.600 0.059 0.000 1.138 133 S CA -0.952 57.270 58.200 0.036 0.000 0.844 133 S CB 1.699 64.934 63.200 0.059 0.000 1.127 133 S HN 0.174 nan 8.310 nan 0.000 0.474 134 K N -0.274 120.181 120.400 0.091 0.000 2.365 134 K HA 0.213 4.533 4.320 0.000 0.000 0.197 134 K C -0.557 176.161 176.600 0.196 0.000 1.042 134 K CA 0.893 57.246 56.287 0.109 0.000 0.987 134 K CB -0.438 32.115 32.500 0.088 0.000 0.779 134 K HN 0.727 nan 8.250 nan 0.000 0.484 135 Y N -0.907 119.414 120.300 0.035 0.000 2.409 135 Y HA 0.403 4.953 4.550 0.000 0.000 0.321 135 Y C -2.109 173.840 175.900 0.081 0.000 1.209 135 Y CA -1.100 57.023 58.100 0.039 0.000 1.086 135 Y CB 1.258 39.731 38.460 0.021 0.000 1.320 135 Y HN -0.063 nan 8.280 nan 0.000 0.440 136 A N 4.916 127.508 122.820 -0.379 0.000 2.437 136 A HA 0.798 5.118 4.320 0.000 0.000 0.293 136 A C -2.200 175.161 177.584 -0.372 0.000 1.038 136 A CA -0.393 51.541 52.037 -0.172 0.000 0.708 136 A CB 1.521 20.576 19.000 0.091 0.000 1.251 136 A HN 1.233 nan 8.150 nan 0.000 0.409 137 V N 1.387 121.114 119.914 -0.312 0.000 3.147 137 V HA 0.665 4.785 4.120 0.000 0.000 0.306 137 V C -1.078 174.893 176.094 -0.205 0.000 1.209 137 V CA -0.515 61.622 62.300 -0.272 0.000 1.023 137 V CB 2.090 33.729 31.823 -0.307 0.000 1.059 137 V HN 1.012 nan 8.190 nan 0.000 0.435 138 E N 3.057 123.170 120.200 -0.144 0.000 2.171 138 E HA 0.446 4.796 4.350 0.000 0.000 0.271 138 E C -1.188 175.347 176.600 -0.109 0.000 0.916 138 E CA -0.866 55.454 56.400 -0.133 0.000 0.774 138 E CB 1.821 31.467 29.700 -0.090 0.000 1.128 138 E HN 0.653 nan 8.360 nan 0.000 0.403 139 L N 4.092 125.248 121.223 -0.111 0.000 2.455 139 L HA 0.012 4.352 4.340 0.000 0.000 0.272 139 L C 0.350 177.179 176.870 -0.069 0.000 1.174 139 L CA 1.185 55.975 54.840 -0.083 0.000 0.869 139 L CB 0.662 42.677 42.059 -0.074 0.000 1.130 139 L HN 0.754 nan 8.230 nan 0.000 0.474 140 Q N 3.356 123.116 119.800 -0.066 0.000 2.384 140 Q HA 0.318 4.658 4.340 0.000 0.000 0.264 140 Q C -0.233 175.740 176.000 -0.045 0.000 0.825 140 Q CA 0.047 55.819 55.803 -0.051 0.000 0.984 140 Q CB 0.863 29.573 28.738 -0.046 0.000 1.183 140 Q HN 0.577 nan 8.270 nan 0.000 0.537 141 R N 0.650 121.102 120.500 -0.081 0.000 2.435 141 R HA 0.245 4.585 4.340 0.000 0.000 0.308 141 R C -2.263 173.949 176.300 -0.148 0.000 0.975 141 R CA -1.791 54.255 56.100 -0.090 0.000 0.867 141 R CB 1.483 31.714 30.300 -0.116 0.000 1.171 141 R HN -0.105 nan 8.270 nan 0.000 0.470 142 P HA -0.287 nan 4.420 nan 0.000 0.217 142 P C 0.929 178.221 177.300 -0.013 0.000 1.158 142 P CA 1.461 64.557 63.100 -0.007 0.000 0.887 142 P CB 0.003 31.732 31.700 0.048 0.000 0.792 143 H N -0.547 118.535 119.070 0.020 0.000 2.545 143 H HA 0.034 4.590 4.556 0.000 0.000 0.282 143 H C 1.055 176.399 175.328 0.027 0.000 1.020 143 H CA 0.913 56.975 56.048 0.024 0.000 1.243 143 H CB -0.618 29.155 29.762 0.019 0.000 1.377 143 H HN 0.251 nan 8.280 nan 0.000 0.581 144 E N 0.310 120.229 120.200 -0.468 0.000 2.481 144 E HA -0.013 4.337 4.350 0.000 0.000 0.195 144 E C 1.738 178.285 176.600 -0.089 0.000 1.047 144 E CA 0.057 56.288 56.400 -0.281 0.000 0.867 144 E CB 0.066 29.573 29.700 -0.321 0.000 0.858 144 E HN 0.299 nan 8.360 nan 0.000 0.513 145 I N 1.156 121.696 120.570 -0.051 0.000 2.335 145 I HA -0.266 3.904 4.170 0.000 0.000 0.251 145 I C 1.946 178.077 176.117 0.024 0.000 1.129 145 I CA 1.579 62.877 61.300 -0.004 0.000 1.402 145 I CB -0.250 37.759 38.000 0.015 0.000 1.069 145 I HN -0.021 nan 8.210 nan 0.000 0.424 146 T N 0.681 115.258 114.554 0.038 0.000 2.708 146 T HA -0.205 4.145 4.350 0.000 0.000 0.266 146 T C 1.427 176.158 174.700 0.052 0.000 1.037 146 T CA 1.851 63.985 62.100 0.056 0.000 1.146 146 T CB -0.561 68.347 68.868 0.066 0.000 0.865 146 T HN 0.703 nan 8.240 nan 0.000 0.435 147 D N 1.055 121.478 120.400 0.038 0.000 2.224 147 D HA -0.022 4.618 4.640 0.000 0.000 0.205 147 D C 2.003 178.315 176.300 0.020 0.000 0.965 147 D CA 0.589 54.609 54.000 0.032 0.000 0.852 147 D CB -0.669 40.151 40.800 0.033 0.000 0.947 147 D HN 0.326 nan 8.370 nan 0.000 0.494 148 L N 0.271 121.511 121.223 0.028 0.000 2.056 148 L HA -0.109 4.231 4.340 0.000 0.000 0.207 148 L C 2.513 179.387 176.870 0.006 0.000 1.078 148 L CA 0.669 55.544 54.840 0.058 0.000 0.749 148 L CB -0.375 41.721 42.059 0.061 0.000 0.901 148 L HN 0.073 nan 8.230 nan 0.000 0.433 149 V N -0.030 119.885 119.914 0.002 0.000 2.295 149 V HA -0.294 3.826 4.120 0.000 0.000 0.246 149 V C 2.135 178.163 176.094 -0.110 0.000 1.049 149 V CA 1.945 64.227 62.300 -0.030 0.000 1.024 149 V CB -0.516 31.329 31.823 0.037 0.000 0.648 149 V HN 0.432 nan 8.190 nan 0.000 0.447 150 D N -0.028 120.353 120.400 -0.031 0.000 2.117 150 D HA -0.121 4.519 4.640 0.000 0.000 0.197 150 D C 2.447 178.654 176.300 -0.156 0.000 0.987 150 D CA 1.679 55.666 54.000 -0.022 0.000 0.829 150 D CB -0.336 40.505 40.800 0.069 0.000 0.961 150 D HN 0.358 nan 8.370 nan 0.000 0.460 151 S N 0.344 115.917 115.700 -0.212 0.000 2.382 151 S HA -0.118 4.352 4.470 0.000 0.000 0.228 151 S C 2.070 176.181 174.600 -0.814 0.000 1.027 151 S CA 1.024 58.977 58.200 -0.413 0.000 0.991 151 S CB -0.181 62.819 63.200 -0.333 0.000 0.823 151 S HN 0.369 nan 8.310 nan 0.000 0.469 152 A N 1.030 123.388 122.820 -0.770 0.000 1.902 152 A HA -0.045 4.275 4.320 0.000 0.000 0.217 152 A C 2.329 179.706 177.584 -0.344 0.000 1.181 152 A CA 1.492 53.159 52.037 -0.617 0.000 0.623 152 A CB -0.853 18.027 19.000 -0.199 0.000 0.818 152 A HN 0.348 nan 8.150 nan 0.000 0.443 153 V N 0.887 120.611 119.914 -0.316 0.000 2.358 153 V HA -0.238 3.882 4.120 0.000 0.000 0.246 153 V C 2.309 178.288 176.094 -0.191 0.000 1.047 153 V CA 2.049 64.182 62.300 -0.279 0.000 1.035 153 V CB -1.005 30.513 31.823 -0.508 0.000 0.658 153 V HN 0.535 nan 8.190 nan 0.000 0.452 154 N N 0.792 119.378 118.700 -0.189 0.000 2.061 154 N HA -0.172 4.568 4.740 0.000 0.000 0.193 154 N C 1.832 177.277 175.510 -0.107 0.000 1.030 154 N CA 1.887 54.864 53.050 -0.121 0.000 0.856 154 N CB -0.518 37.900 38.487 -0.115 0.000 1.023 154 N HN 0.510 nan 8.380 nan 0.000 0.424 155 A N 0.465 123.192 122.820 -0.155 0.000 1.929 155 A HA 0.187 4.507 4.320 0.000 0.000 0.216 155 A C 2.286 179.848 177.584 -0.036 0.000 1.176 155 A CA 1.559 53.550 52.037 -0.075 0.000 0.628 155 A CB -0.630 18.338 19.000 -0.053 0.000 0.816 155 A HN 0.306 nan 8.150 nan 0.000 0.444 156 A N -1.323 121.462 122.820 -0.058 0.000 1.969 156 A HA 0.037 4.357 4.320 0.000 0.000 0.218 156 A C 1.784 179.352 177.584 -0.026 0.000 1.169 156 A CA 1.441 53.461 52.037 -0.028 0.000 0.635 156 A CB -0.287 18.691 19.000 -0.038 0.000 0.810 156 A HN 0.372 nan 8.150 nan 0.000 0.445 157 M N 0.892 120.470 119.600 -0.037 0.000 2.493 157 M HA 0.139 4.620 4.480 0.000 0.000 0.244 157 M C -0.510 175.781 176.300 -0.015 0.000 1.182 157 M CA 0.512 55.798 55.300 -0.023 0.000 0.981 157 M CB -0.652 31.934 32.600 -0.023 0.000 1.551 157 M HN 0.130 nan 8.290 nan 0.000 0.476 158 T N 0.929 115.475 114.554 -0.014 0.000 2.797 158 T HA 0.304 4.654 4.350 0.000 0.000 0.279 158 T C 0.290 174.987 174.700 -0.006 0.000 0.991 158 T CA -0.681 61.413 62.100 -0.009 0.000 0.979 158 T CB 2.017 70.880 68.868 -0.008 0.000 0.943 158 T HN 0.087 nan 8.240 nan 0.000 0.444 159 E N 3.609 123.804 120.200 -0.008 0.000 2.384 159 E HA 0.160 4.510 4.350 0.000 0.000 0.266 159 E C -2.212 174.385 176.600 -0.005 0.000 1.012 159 E CA -1.756 54.639 56.400 -0.008 0.000 0.901 159 E CB 0.415 30.106 29.700 -0.015 0.000 0.967 159 E HN 0.336 nan 8.360 nan 0.000 0.435 160 P HA 0.015 nan 4.420 nan 0.000 0.276 160 P C -0.061 177.238 177.300 -0.000 0.000 1.264 160 P CA -0.376 62.722 63.100 -0.003 0.000 0.769 160 P CB 0.408 32.106 31.700 -0.002 0.000 0.840 161 V N 1.781 121.694 119.914 -0.002 0.000 2.928 161 V HA 0.590 4.710 4.120 0.000 0.000 0.307 161 V C 0.608 176.701 176.094 -0.001 0.000 1.105 161 V CA 0.589 62.888 62.300 -0.002 0.000 1.223 161 V CB -0.241 31.581 31.823 -0.003 0.000 0.930 161 V HN 0.848 nan 8.190 nan 0.000 0.499 162 G N 3.463 112.265 108.800 0.002 0.000 2.488 162 G HA2 0.645 4.605 3.960 0.000 0.000 0.301 162 G HA3 0.645 4.605 3.960 0.000 0.000 0.301 162 G C -3.497 171.415 174.900 0.020 0.000 1.339 162 G CA -0.590 44.516 45.100 0.009 0.000 0.803 162 G HN 0.741 nan 8.290 nan 0.000 0.482 163 P HA 0.508 nan 4.420 nan 0.000 0.286 163 P C -0.716 176.643 177.300 0.099 0.000 1.261 163 P CA -0.266 62.867 63.100 0.055 0.000 0.821 163 P CB 1.886 33.617 31.700 0.052 0.000 1.013 164 S N 1.600 117.375 115.700 0.125 0.000 2.503 164 S HA 0.626 5.096 4.470 0.000 0.000 0.301 164 S C -1.025 173.734 174.600 0.265 0.000 1.087 164 S CA -0.327 58.005 58.200 0.218 0.000 1.042 164 S CB 0.623 63.919 63.200 0.160 0.000 1.043 164 S HN 0.443 nan 8.310 nan 0.000 0.489 165 F N 3.349 123.374 119.950 0.124 0.000 2.507 165 F HA 0.712 5.239 4.527 0.000 0.000 0.325 165 F C -1.343 174.479 175.800 0.036 0.000 1.116 165 F CA -0.992 57.032 58.000 0.041 0.000 0.930 165 F CB 0.647 39.640 39.000 -0.012 0.000 1.146 165 F HN 0.440 nan 8.300 nan 0.000 0.447 166 I N 4.809 124.930 120.570 -0.750 0.000 2.447 166 I HA 0.272 4.442 4.170 0.000 0.000 0.287 166 I C -0.476 175.006 176.117 -1.058 0.000 1.023 166 I CA -0.810 60.071 61.300 -0.697 0.000 1.083 166 I CB 1.928 39.770 38.000 -0.263 0.000 1.245 166 I HN 0.550 nan 8.210 nan 0.000 0.434 167 S N 7.053 122.225 115.700 -0.880 0.000 2.499 167 S HA 0.670 5.140 4.470 0.000 0.000 0.279 167 S C -0.638 173.788 174.600 -0.291 0.000 1.219 167 S CA -0.432 57.439 58.200 -0.548 0.000 1.062 167 S CB 0.394 63.439 63.200 -0.259 0.000 0.978 167 S HN 0.473 nan 8.310 nan 0.000 0.489 168 L N 6.693 127.781 121.223 -0.224 0.000 2.417 168 L HA 0.403 4.743 4.340 0.000 0.000 0.259 168 L C -2.481 174.348 176.870 -0.069 0.000 1.023 168 L CA -1.995 52.766 54.840 -0.132 0.000 0.901 168 L CB 1.738 43.726 42.059 -0.119 0.000 1.227 168 L HN 0.450 nan 8.230 nan 0.000 0.454 169 P HA -0.039 nan 4.420 nan 0.000 0.264 169 P C 1.217 178.513 177.300 -0.006 0.000 1.193 169 P CA -0.142 62.935 63.100 -0.038 0.000 0.763 169 P CB 0.966 32.637 31.700 -0.047 0.000 0.810 170 V N 1.640 121.559 119.914 0.008 0.000 2.407 170 V HA -0.255 3.865 4.120 0.000 0.000 0.248 170 V C 1.668 177.782 176.094 0.034 0.000 1.055 170 V CA 2.250 64.572 62.300 0.036 0.000 1.049 170 V CB -1.325 30.526 31.823 0.046 0.000 0.662 170 V HN 0.491 nan 8.190 nan 0.000 0.455 171 D N 1.123 121.541 120.400 0.030 0.000 2.117 171 D HA -0.214 4.426 4.640 0.000 0.000 0.197 171 D C 2.062 178.384 176.300 0.038 0.000 0.987 171 D CA 1.976 56.004 54.000 0.046 0.000 0.829 171 D CB -0.582 40.267 40.800 0.082 0.000 0.961 171 D HN 0.531 nan 8.370 nan 0.000 0.460 172 L N -0.489 120.751 121.223 0.027 0.000 2.109 172 L HA -0.039 4.301 4.340 0.000 0.000 0.207 172 L C 2.665 179.549 176.870 0.024 0.000 1.086 172 L CA 0.268 55.120 54.840 0.021 0.000 0.760 172 L CB -0.456 41.606 42.059 0.005 0.000 0.910 172 L HN 0.037 nan 8.230 nan 0.000 0.437 173 L N 0.711 121.951 121.223 0.029 0.000 2.042 173 L HA -0.113 4.227 4.340 0.000 0.000 0.210 173 L C 1.985 178.872 176.870 0.029 0.000 1.076 173 L CA 2.027 56.893 54.840 0.043 0.000 0.749 173 L CB -0.880 41.226 42.059 0.078 0.000 0.893 173 L HN 0.147 nan 8.230 nan 0.000 0.432 174 G N -1.477 107.337 108.800 0.023 0.000 3.314 174 G HA2 0.109 4.069 3.960 0.000 0.000 0.238 174 G HA3 0.109 4.069 3.960 0.000 0.000 0.238 174 G C 0.317 175.225 174.900 0.013 0.000 1.184 174 G CA 0.440 45.546 45.100 0.010 0.000 0.806 174 G HN 0.348 nan 8.290 nan 0.000 0.536 175 S N -0.238 115.475 115.700 0.021 0.000 2.565 175 S HA 0.455 4.925 4.470 0.000 0.000 0.290 175 S C 1.328 175.942 174.600 0.024 0.000 1.150 175 S CA 0.076 58.290 58.200 0.022 0.000 1.058 175 S CB 1.450 64.668 63.200 0.029 0.000 1.032 175 S HN 0.296 nan 8.310 nan 0.000 0.510 176 S N 2.182 117.893 115.700 0.018 0.000 2.554 176 S HA 0.223 4.693 4.470 0.000 0.000 0.226 176 S C 0.312 174.928 174.600 0.026 0.000 0.980 176 S CA -0.431 57.779 58.200 0.017 0.000 0.939 176 S CB -0.273 62.925 63.200 -0.004 0.000 0.832 176 S HN 0.827 nan 8.310 nan 0.000 0.486 177 E N 1.510 121.731 120.200 0.036 0.000 2.493 177 E HA 0.307 4.657 4.350 0.000 0.000 0.255 177 E C 1.207 177.851 176.600 0.073 0.000 0.999 177 E CA 0.860 57.286 56.400 0.043 0.000 0.934 177 E CB -0.432 29.296 29.700 0.047 0.000 0.940 177 E HN 0.577 nan 8.360 nan 0.000 0.473 178 G N 4.273 113.090 108.800 0.028 0.000 2.184 178 G HA2 -0.297 3.663 3.960 0.000 0.000 0.264 178 G HA3 -0.297 3.663 3.960 0.000 0.000 0.264 178 G C 0.246 175.141 174.900 -0.007 0.000 0.975 178 G CA 0.298 45.382 45.100 -0.028 0.000 0.642 178 G HN 0.576 nan 8.290 nan 0.000 0.536 179 I N 1.119 121.711 120.570 0.037 0.000 2.342 179 I HA 0.435 4.605 4.170 0.000 0.000 0.291 179 I C -0.542 175.581 176.117 0.010 0.000 1.010 179 I CA -0.461 60.868 61.300 0.047 0.000 1.308 179 I CB 1.518 39.555 38.000 0.062 0.000 1.400 179 I HN 0.023 nan 8.210 nan 0.000 0.488 180 D N 4.063 124.470 120.400 0.012 0.000 2.402 180 D HA 0.141 4.781 4.640 0.000 0.000 0.252 180 D C 0.752 177.059 176.300 0.010 0.000 1.294 180 D CA -0.397 53.602 54.000 -0.002 0.000 0.948 180 D CB 1.231 42.023 40.800 -0.013 0.000 1.202 180 D HN 0.581 nan 8.370 nan 0.000 0.561 181 T N -0.863 113.692 114.554 0.002 0.000 3.129 181 T HA -0.054 4.297 4.350 0.000 0.000 0.251 181 T C 1.651 176.358 174.700 0.013 0.000 1.117 181 T CA 0.981 63.093 62.100 0.021 0.000 1.034 181 T CB -0.155 68.715 68.868 0.003 0.000 0.968 181 T HN 0.338 nan 8.240 nan 0.000 0.526 182 T N 0.340 114.893 114.554 -0.001 0.000 2.857 182 T HA 0.097 4.447 4.350 0.000 0.000 0.266 182 T C 0.871 175.574 174.700 0.005 0.000 1.048 182 T CA 0.133 62.232 62.100 -0.001 0.000 1.139 182 T CB -0.879 67.984 68.868 -0.009 0.000 0.874 182 T HN 0.248 nan 8.240 nan 0.000 0.455 183 V N 4.614 124.531 119.914 0.005 0.000 2.521 183 V HA 0.274 4.394 4.120 0.000 0.000 0.286 183 V C -1.994 174.110 176.094 0.016 0.000 1.034 183 V CA -1.695 60.609 62.300 0.008 0.000 1.045 183 V CB 0.327 32.152 31.823 0.004 0.000 0.974 183 V HN 0.395 nan 8.190 nan 0.000 0.480 184 P HA 0.196 nan 4.420 nan 0.000 0.272 184 P C -0.290 177.019 177.300 0.016 0.000 1.223 184 P CA -0.541 62.568 63.100 0.015 0.000 0.784 184 P CB 0.411 32.116 31.700 0.009 0.000 0.923 185 N N 1.874 120.583 118.700 0.016 0.000 2.416 185 N HA 0.154 4.894 4.740 0.000 0.000 0.246 185 N C -2.022 173.490 175.510 0.002 0.000 1.260 185 N CA -0.818 52.240 53.050 0.013 0.000 0.897 185 N CB -1.016 37.475 38.487 0.006 0.000 1.110 185 N HN 0.325 nan 8.380 nan 0.000 0.439 186 P HA 0.267 nan 4.420 nan 0.000 0.272 186 P C -2.410 174.877 177.300 -0.022 0.000 1.240 186 P CA -0.832 62.266 63.100 -0.002 0.000 0.791 186 P CB -0.380 31.325 31.700 0.008 0.000 0.978 187 P HA 0.041 nan 4.420 nan 0.000 0.265 187 P C 0.301 177.559 177.300 -0.070 0.000 1.193 187 P CA 0.187 63.261 63.100 -0.044 0.000 0.765 187 P CB 0.355 32.040 31.700 -0.026 0.000 0.823 188 A N 3.560 126.294 122.820 -0.143 0.000 1.929 188 A HA -0.129 4.191 4.320 0.000 0.000 0.216 188 A C 0.820 178.339 177.584 -0.107 0.000 1.176 188 A CA 1.038 52.911 52.037 -0.273 0.000 0.628 188 A CB -1.439 17.178 19.000 -0.639 0.000 0.816 188 A HN 0.783 nan 8.150 nan 0.000 0.444 189 N N 0.070 118.735 118.700 -0.058 0.000 2.714 189 N HA -0.123 4.617 4.740 0.000 0.000 0.252 189 N C -0.867 174.676 175.510 0.056 0.000 1.014 189 N CA 0.350 53.403 53.050 0.004 0.000 0.735 189 N CB -1.411 37.085 38.487 0.015 0.000 0.924 189 N HN 0.465 nan 8.380 nan 0.000 0.540 190 T N 1.333 115.934 114.554 0.078 0.000 2.853 190 T HA 0.203 4.553 4.350 0.000 0.000 0.298 190 T C -1.767 172.980 174.700 0.079 0.000 0.978 190 T CA -0.698 61.497 62.100 0.158 0.000 1.152 190 T CB 0.560 69.559 68.868 0.219 0.000 0.914 190 T HN 0.038 nan 8.240 nan 0.000 0.539 191 P HA 0.256 nan 4.420 nan 0.000 0.268 191 P C 0.339 177.661 177.300 0.036 0.000 1.204 191 P CA -0.317 62.805 63.100 0.037 0.000 0.768 191 P CB 0.497 32.211 31.700 0.024 0.000 0.842 192 A N 3.528 126.367 122.820 0.031 0.000 2.072 192 A HA 0.016 4.336 4.320 0.000 0.000 0.216 192 A C 0.786 178.388 177.584 0.031 0.000 1.156 192 A CA 1.119 53.175 52.037 0.031 0.000 0.701 192 A CB -0.449 18.568 19.000 0.028 0.000 0.816 192 A HN 0.645 nan 8.150 nan 0.000 0.458 193 K N -0.946 119.470 120.400 0.026 0.000 2.536 193 K HA 0.589 4.909 4.320 0.000 0.000 0.269 193 K C -3.464 173.146 176.600 0.016 0.000 0.965 193 K CA -2.047 54.255 56.287 0.025 0.000 0.860 193 K CB 1.254 33.768 32.500 0.024 0.000 1.423 193 K HN -0.218 nan 8.250 nan 0.000 0.438 194 P HA -0.018 nan 4.420 nan 0.000 0.266 194 P C -0.579 176.720 177.300 -0.002 0.000 1.195 194 P CA -0.464 62.640 63.100 0.005 0.000 0.768 194 P CB 0.540 32.243 31.700 0.006 0.000 0.838 195 V N 2.732 122.643 119.914 -0.005 0.000 2.715 195 V HA 0.498 4.618 4.120 0.000 0.000 0.299 195 V C 1.112 177.196 176.094 -0.017 0.000 1.054 195 V CA 0.815 63.110 62.300 -0.009 0.000 1.077 195 V CB 0.588 32.407 31.823 -0.006 0.000 0.972 195 V HN 0.857 nan 8.190 nan 0.000 0.484 196 G N 2.137 110.921 108.800 -0.026 0.000 2.725 196 G HA2 0.679 4.639 3.960 0.000 0.000 0.288 196 G HA3 0.679 4.639 3.960 0.000 0.000 0.288 196 G C -0.924 173.950 174.900 -0.043 0.000 1.399 196 G CA -0.273 44.804 45.100 -0.038 0.000 0.859 196 G HN 0.951 nan 8.290 nan 0.000 0.479 197 V N -1.940 117.945 119.914 -0.049 0.000 2.716 197 V HA 0.847 4.967 4.120 0.000 0.000 0.304 197 V C -0.404 175.642 176.094 -0.079 0.000 1.053 197 V CA -0.855 61.418 62.300 -0.045 0.000 0.984 197 V CB 1.420 33.226 31.823 -0.027 0.000 1.021 197 V HN 0.581 nan 8.190 nan 0.000 0.467 198 V N 3.255 123.135 119.914 -0.056 0.000 2.525 198 V HA 0.773 4.893 4.120 0.000 0.000 0.299 198 V C 0.471 176.579 176.094 0.023 0.000 1.034 198 V CA -0.111 62.143 62.300 -0.077 0.000 0.863 198 V CB 1.393 33.175 31.823 -0.068 0.000 0.999 198 V HN 1.400 nan 8.190 nan 0.000 0.423 199 A N 2.907 125.759 122.820 0.054 0.000 2.327 199 A HA 0.542 4.862 4.320 0.000 0.000 0.283 199 A C -0.070 177.635 177.584 0.201 0.000 1.127 199 A CA -0.288 51.812 52.037 0.105 0.000 0.810 199 A CB 0.369 19.416 19.000 0.078 0.000 1.066 199 A HN 0.920 nan 8.150 nan 0.000 0.492 200 D N 1.078 121.555 120.400 0.127 0.000 2.458 200 D HA 0.386 5.026 4.640 0.000 0.000 0.243 200 D C 1.276 177.624 176.300 0.080 0.000 1.146 200 D CA 1.910 55.972 54.000 0.104 0.000 0.877 200 D CB 0.270 41.103 40.800 0.055 0.000 1.176 200 D HN 1.214 nan 8.370 nan 0.000 0.461 201 G N 3.708 112.523 108.800 0.025 0.000 2.132 201 G HA2 -0.253 3.707 3.960 0.000 0.000 0.234 201 G HA3 -0.253 3.707 3.960 0.000 0.000 0.234 201 G C 1.000 175.894 174.900 -0.011 0.000 0.989 201 G CA 0.386 45.468 45.100 -0.029 0.000 0.676 201 G HN 0.685 nan 8.290 nan 0.000 0.522 202 W N 0.208 121.487 121.300 -0.034 0.000 2.402 202 W HA -0.029 4.631 4.660 0.000 0.000 0.286 202 W C 1.405 177.877 176.519 -0.078 0.000 1.221 202 W CA 1.379 58.698 57.345 -0.043 0.000 1.257 202 W CB -0.597 28.841 29.460 -0.038 0.000 1.120 202 W HN 0.385 nan 8.180 nan 0.000 0.551 203 Q N 1.481 120.731 119.800 -0.917 0.000 2.119 203 Q HA -0.155 4.185 4.340 0.000 0.000 0.201 203 Q C 2.301 178.105 176.000 -0.328 0.000 0.972 203 Q CA 2.267 57.451 55.803 -1.031 0.000 0.847 203 Q CB -0.560 27.506 28.738 -1.121 0.000 0.903 203 Q HN 0.330 nan 8.270 nan 0.000 0.433 204 K N 0.225 120.515 120.400 -0.185 0.000 2.097 204 K HA -0.093 4.227 4.320 0.000 0.000 0.205 204 K C 1.935 178.558 176.600 0.037 0.000 1.050 204 K CA 1.107 57.370 56.287 -0.039 0.000 0.938 204 K CB -0.135 32.343 32.500 -0.036 0.000 0.718 204 K HN 0.215 nan 8.250 nan 0.000 0.442 205 A N 1.059 123.913 122.820 0.057 0.000 1.898 205 A HA -0.066 4.254 4.320 0.000 0.000 0.216 205 A C 2.315 180.015 177.584 0.193 0.000 1.181 205 A CA 1.716 53.819 52.037 0.111 0.000 0.620 205 A CB -0.744 18.324 19.000 0.113 0.000 0.819 205 A HN 0.459 nan 8.150 nan 0.000 0.442 206 A N 0.004 122.984 122.820 0.266 0.000 1.972 206 A HA -0.164 4.156 4.320 0.000 0.000 0.219 206 A C 1.706 179.563 177.584 0.456 0.000 1.169 206 A CA 1.838 54.158 52.037 0.472 0.000 0.635 206 A CB -0.529 18.805 19.000 0.558 0.000 0.810 206 A HN 0.460 nan 8.150 nan 0.000 0.446 207 D N -0.272 120.309 120.400 0.301 0.000 2.144 207 D HA -0.146 4.494 4.640 0.000 0.000 0.199 207 D C 2.147 178.568 176.300 0.201 0.000 0.984 207 D CA 1.419 55.556 54.000 0.228 0.000 0.834 207 D CB -0.404 40.483 40.800 0.146 0.000 0.955 207 D HN 0.631 nan 8.370 nan 0.000 0.465 208 Q N 0.213 120.118 119.800 0.176 0.000 2.119 208 Q HA -0.027 4.313 4.340 0.000 0.000 0.201 208 Q C 2.172 178.289 176.000 0.195 0.000 0.972 208 Q CA 1.277 57.169 55.803 0.148 0.000 0.847 208 Q CB -0.068 28.731 28.738 0.102 0.000 0.903 208 Q HN 0.219 nan 8.270 nan 0.000 0.433 209 A N 0.985 123.967 122.820 0.270 0.000 1.930 209 A HA -0.078 4.242 4.320 0.000 0.000 0.217 209 A C 2.261 180.148 177.584 0.506 0.000 1.175 209 A CA 1.436 53.679 52.037 0.342 0.000 0.627 209 A CB -0.628 18.583 19.000 0.352 0.000 0.815 209 A HN 0.386 nan 8.150 nan 0.000 0.443 210 A N -0.107 123.027 122.820 0.523 0.000 1.898 210 A HA 0.205 4.525 4.320 0.000 0.000 0.216 210 A C 2.465 180.260 177.584 0.352 0.000 1.181 210 A CA 1.867 54.088 52.037 0.307 0.000 0.620 210 A CB -0.906 18.097 19.000 0.005 0.000 0.819 210 A HN 1.005 nan 8.150 nan 0.000 0.442 211 A N -0.335 122.639 122.820 0.257 0.000 1.969 211 A HA 0.020 4.340 4.320 0.000 0.000 0.218 211 A C 2.132 179.797 177.584 0.135 0.000 1.169 211 A CA 1.353 53.494 52.037 0.173 0.000 0.635 211 A CB -0.512 18.558 19.000 0.118 0.000 0.810 211 A HN 0.469 nan 8.150 nan 0.000 0.445 212 L N -1.179 120.142 121.223 0.163 0.000 2.093 212 L HA -0.131 4.209 4.340 0.000 0.000 0.208 212 L C 2.502 179.456 176.870 0.139 0.000 1.085 212 L CA 0.908 55.823 54.840 0.126 0.000 0.755 212 L CB -0.480 41.651 42.059 0.121 0.000 0.904 212 L HN 0.436 nan 8.230 nan 0.000 0.435 213 L N 0.338 121.704 121.223 0.238 0.000 2.083 213 L HA -0.163 4.178 4.340 0.000 0.000 0.209 213 L C 2.629 179.582 176.870 0.138 0.000 1.083 213 L CA 1.964 56.960 54.840 0.261 0.000 0.752 213 L CB -0.688 41.631 42.059 0.434 0.000 0.899 213 L HN 0.154 nan 8.230 nan 0.000 0.433 214 A N -0.816 122.024 122.820 0.032 0.000 1.902 214 A HA -0.225 4.095 4.320 0.000 0.000 0.217 214 A C 2.160 179.629 177.584 -0.191 0.000 1.181 214 A CA 1.893 53.715 52.037 -0.357 0.000 0.623 214 A CB -0.581 18.092 19.000 -0.545 0.000 0.818 214 A HN 0.621 nan 8.150 nan 0.000 0.443 215 E N -0.112 120.038 120.200 -0.083 0.000 2.285 215 E HA 0.188 4.538 4.350 0.000 0.000 0.194 215 E C 0.862 177.438 176.600 -0.040 0.000 0.997 215 E CA 0.167 56.532 56.400 -0.059 0.000 0.845 215 E CB -0.168 29.516 29.700 -0.026 0.000 0.782 215 E HN 0.581 nan 8.360 nan 0.000 0.491 216 A N 1.734 124.546 122.820 -0.013 0.000 2.450 216 A HA 0.029 4.349 4.320 0.000 0.000 0.255 216 A C 1.040 178.596 177.584 -0.046 0.000 1.096 216 A CA -0.009 52.026 52.037 -0.004 0.000 0.778 216 A CB 0.630 19.655 19.000 0.043 0.000 1.031 216 A HN 0.056 nan 8.150 nan 0.000 0.494 217 K N 0.804 121.149 120.400 -0.092 0.000 2.044 217 K HA -0.039 4.281 4.320 0.000 0.000 0.204 217 K C -0.218 176.183 176.600 -0.331 0.000 1.049 217 K CA 0.983 57.122 56.287 -0.248 0.000 0.945 217 K CB 0.003 32.305 32.500 -0.329 0.000 0.724 217 K HN 0.832 nan 8.250 nan 0.000 0.440 218 H N 0.938 120.028 119.070 0.033 0.000 2.448 218 H HA 0.306 4.862 4.556 0.000 0.000 0.237 218 H C -2.583 172.759 175.328 0.023 0.000 1.391 218 H CA -2.384 53.689 56.048 0.041 0.000 1.477 218 H CB 1.223 30.980 29.762 -0.009 0.000 1.520 218 H HN 0.255 nan 8.280 nan 0.000 0.502 219 P HA 0.171 nan 4.420 nan 0.000 0.276 219 P C -0.013 177.339 177.300 0.087 0.000 1.244 219 P CA -0.473 62.686 63.100 0.099 0.000 0.801 219 P CB 2.130 33.895 31.700 0.109 0.000 1.006 220 V N -1.011 118.933 119.914 0.050 0.000 2.962 220 V HA 0.575 4.695 4.120 0.000 0.000 0.313 220 V C -0.675 175.420 176.094 0.001 0.000 1.099 220 V CA -1.192 61.122 62.300 0.023 0.000 0.971 220 V CB 1.750 33.606 31.823 0.055 0.000 1.028 220 V HN 0.248 nan 8.190 nan 0.000 0.430 221 L N 3.143 124.361 121.223 -0.008 0.000 2.272 221 L HA 0.635 4.975 4.340 0.000 0.000 0.289 221 L C -0.515 176.355 176.870 0.001 0.000 1.032 221 L CA -0.664 54.171 54.840 -0.009 0.000 0.810 221 L CB 1.731 43.794 42.059 0.007 0.000 1.205 221 L HN 0.555 nan 8.230 nan 0.000 0.422 222 V N 4.893 124.801 119.914 -0.010 0.000 2.328 222 V HA 0.320 4.440 4.120 0.000 0.000 0.278 222 V C 0.041 176.163 176.094 0.047 0.000 1.021 222 V CA -0.570 61.754 62.300 0.040 0.000 0.838 222 V CB 1.730 33.568 31.823 0.025 0.000 0.999 222 V HN 0.412 nan 8.190 nan 0.000 0.447 223 V N 4.558 124.507 119.914 0.058 0.000 2.398 223 V HA 0.782 4.902 4.120 0.000 0.000 0.286 223 V C 0.777 176.906 176.094 0.057 0.000 1.026 223 V CA -0.177 62.150 62.300 0.044 0.000 0.868 223 V CB 1.526 33.362 31.823 0.021 0.000 0.982 223 V HN 0.891 nan 8.190 nan 0.000 0.443 224 G N 2.299 111.128 108.800 0.048 0.000 2.552 224 G HA2 0.566 4.526 3.960 0.000 0.000 0.324 224 G HA3 0.566 4.526 3.960 0.000 0.000 0.324 224 G C 0.848 175.772 174.900 0.041 0.000 1.217 224 G CA -0.041 45.082 45.100 0.039 0.000 0.989 224 G HN 0.908 nan 8.290 nan 0.000 0.490 225 A N -0.279 122.583 122.820 0.071 0.000 2.070 225 A HA 0.194 4.514 4.320 0.000 0.000 0.220 225 A C 2.575 180.223 177.584 0.106 0.000 1.159 225 A CA 2.246 54.363 52.037 0.135 0.000 0.656 225 A CB -0.581 18.568 19.000 0.249 0.000 0.800 225 A HN 1.286 nan 8.150 nan 0.000 0.453 226 A N -0.012 122.840 122.820 0.053 0.000 1.972 226 A HA 0.143 4.463 4.320 0.000 0.000 0.219 226 A C 2.454 180.053 177.584 0.025 0.000 1.169 226 A CA 1.888 53.946 52.037 0.034 0.000 0.635 226 A CB -0.868 18.136 19.000 0.006 0.000 0.810 226 A HN 1.020 nan 8.150 nan 0.000 0.446 227 A N 0.162 122.992 122.820 0.016 0.000 1.902 227 A HA -0.110 4.210 4.320 0.000 0.000 0.217 227 A C 2.095 179.679 177.584 -0.000 0.000 1.181 227 A CA 1.591 53.632 52.037 0.007 0.000 0.623 227 A CB -0.617 18.386 19.000 0.004 0.000 0.818 227 A HN 0.521 nan 8.150 nan 0.000 0.443 228 I N -0.936 119.626 120.570 -0.014 0.000 2.179 228 I HA -0.257 3.913 4.170 0.000 0.000 0.242 228 I C 2.696 178.830 176.117 0.029 0.000 1.088 228 I CA 1.345 62.613 61.300 -0.052 0.000 1.357 228 I CB -0.395 37.477 38.000 -0.214 0.000 1.051 228 I HN 0.255 nan 8.210 nan 0.000 0.409 229 R N 0.081 120.636 120.500 0.090 0.000 2.120 229 R HA -0.139 4.202 4.340 0.000 0.000 0.234 229 R C 2.412 178.742 176.300 0.050 0.000 1.123 229 R CA 1.495 57.652 56.100 0.096 0.000 0.975 229 R CB -0.429 29.926 30.300 0.092 0.000 0.866 229 R HN 0.250 nan 8.270 nan 0.000 0.446 230 S N -0.518 115.200 115.700 0.030 0.000 2.515 230 S HA 0.006 4.476 4.470 0.000 0.000 0.231 230 S C 1.151 175.761 174.600 0.017 0.000 0.987 230 S CA 0.857 59.066 58.200 0.015 0.000 0.936 230 S CB 0.002 63.204 63.200 0.004 0.000 0.766 230 S HN 0.631 nan 8.310 nan 0.000 0.528 231 G N 0.103 108.913 108.800 0.017 0.000 2.149 231 G HA2 -0.178 3.782 3.960 0.000 0.000 0.235 231 G HA3 -0.178 3.782 3.960 0.000 0.000 0.235 231 G C 0.452 175.357 174.900 0.008 0.000 1.018 231 G CA 0.156 45.264 45.100 0.013 0.000 0.728 231 G HN 0.960 nan 8.290 nan 0.000 0.508 232 A N -0.838 121.986 122.820 0.006 0.000 2.387 232 A HA 0.659 4.979 4.320 0.000 0.000 0.234 232 A C 2.123 179.708 177.584 0.003 0.000 1.253 232 A CA 1.326 53.371 52.037 0.014 0.000 0.894 232 A CB 0.195 19.213 19.000 0.030 0.000 0.963 232 A HN 0.895 nan 8.150 nan 0.000 0.508 233 V N 0.976 120.880 119.914 -0.017 0.000 2.270 233 V HA -0.130 3.990 4.120 0.000 0.000 0.245 233 V C -0.139 175.942 176.094 -0.022 0.000 1.043 233 V CA 2.492 64.773 62.300 -0.033 0.000 1.014 233 V CB -1.281 30.504 31.823 -0.063 0.000 0.645 233 V HN 0.367 nan 8.190 nan 0.000 0.447 234 P HA -0.155 nan 4.420 nan 0.000 0.216 234 P C 1.632 178.934 177.300 0.002 0.000 1.150 234 P CA 1.994 65.091 63.100 -0.005 0.000 0.837 234 P CB -0.141 31.559 31.700 0.001 0.000 0.786 235 A N -0.986 121.839 122.820 0.008 0.000 1.930 235 A HA -0.138 4.182 4.320 0.000 0.000 0.217 235 A C 2.189 179.786 177.584 0.023 0.000 1.175 235 A CA 1.269 53.316 52.037 0.017 0.000 0.627 235 A CB -1.490 17.524 19.000 0.024 0.000 0.815 235 A HN 0.117 nan 8.150 nan 0.000 0.443 236 I N -0.996 119.586 120.570 0.021 0.000 2.252 236 I HA -0.211 3.959 4.170 0.000 0.000 0.245 236 I C 2.651 178.772 176.117 0.007 0.000 1.102 236 I CA 1.514 62.830 61.300 0.027 0.000 1.385 236 I CB -0.263 37.749 38.000 0.021 0.000 1.064 236 I HN 0.381 nan 8.210 nan 0.000 0.414 237 R N 1.445 121.935 120.500 -0.017 0.000 2.083 237 R HA -0.209 4.132 4.340 0.000 0.000 0.237 237 R C 2.335 178.633 176.300 -0.003 0.000 1.137 237 R CA 1.856 57.932 56.100 -0.040 0.000 0.951 237 R CB -0.325 29.944 30.300 -0.053 0.000 0.851 237 R HN 0.340 nan 8.270 nan 0.000 0.434 238 A N 1.037 123.864 122.820 0.012 0.000 1.933 238 A HA -0.141 4.179 4.320 0.000 0.000 0.218 238 A C 2.064 179.663 177.584 0.025 0.000 1.175 238 A CA 1.284 53.334 52.037 0.022 0.000 0.628 238 A CB -0.591 18.418 19.000 0.015 0.000 0.814 238 A HN 0.427 nan 8.150 nan 0.000 0.444 239 L N -0.250 120.990 121.223 0.028 0.000 2.046 239 L HA -0.046 4.294 4.340 0.000 0.000 0.208 239 L C 2.609 179.511 176.870 0.053 0.000 1.077 239 L CA 2.259 57.124 54.840 0.042 0.000 0.747 239 L CB -0.732 41.374 42.059 0.079 0.000 0.896 239 L HN 0.316 nan 8.230 nan 0.000 0.432 240 A N -0.819 122.028 122.820 0.045 0.000 1.898 240 A HA -0.202 4.118 4.320 0.000 0.000 0.216 240 A C 2.180 179.797 177.584 0.056 0.000 1.181 240 A CA 1.721 53.783 52.037 0.040 0.000 0.620 240 A CB -0.638 18.362 19.000 -0.001 0.000 0.819 240 A HN 0.601 nan 8.150 nan 0.000 0.442 241 E N -0.823 119.416 120.200 0.065 0.000 2.077 241 E HA -0.206 4.144 4.350 0.000 0.000 0.193 241 E C 2.310 178.951 176.600 0.067 0.000 0.989 241 E CA 1.223 57.681 56.400 0.096 0.000 0.800 241 E CB -0.163 29.606 29.700 0.115 0.000 0.746 241 E HN 0.605 nan 8.360 nan 0.000 0.452 242 R N 0.753 121.282 120.500 0.048 0.000 2.073 242 R HA -0.111 4.229 4.340 0.000 0.000 0.234 242 R C 1.908 178.235 176.300 0.045 0.000 1.134 242 R CA 1.242 57.363 56.100 0.036 0.000 0.952 242 R CB -0.058 30.251 30.300 0.015 0.000 0.850 242 R HN 0.155 nan 8.270 nan 0.000 0.433 243 L N 0.362 121.618 121.223 0.054 0.000 2.607 243 L HA 0.133 4.473 4.340 0.000 0.000 0.228 243 L C 0.181 177.095 176.870 0.074 0.000 1.123 243 L CA -0.112 54.770 54.840 0.072 0.000 0.890 243 L CB -0.067 42.046 42.059 0.090 0.000 1.103 243 L HN 0.357 nan 8.230 nan 0.000 0.468 244 N N 1.237 119.978 118.700 0.068 0.000 2.756 244 N HA -0.204 4.536 4.740 0.000 0.000 0.248 244 N C -0.638 174.906 175.510 0.056 0.000 1.062 244 N CA 0.391 53.481 53.050 0.067 0.000 0.696 244 N CB -1.238 37.291 38.487 0.068 0.000 0.946 244 N HN 0.318 nan 8.380 nan 0.000 0.548 245 I N 0.517 121.111 120.570 0.040 0.000 2.321 245 I HA 0.354 4.525 4.170 0.000 0.000 0.291 245 I C -1.866 174.201 176.117 -0.083 0.000 0.998 245 I CA -2.092 59.215 61.300 0.011 0.000 1.227 245 I CB 1.396 39.428 38.000 0.053 0.000 1.368 245 I HN -0.004 nan 8.210 nan 0.000 0.466 246 P HA 0.024 nan 4.420 nan 0.000 0.266 246 P C -0.706 176.411 177.300 -0.305 0.000 1.195 246 P CA -0.018 62.747 63.100 -0.558 0.000 0.768 246 P CB 0.595 31.611 31.700 -1.139 0.000 0.838 247 V N 5.428 125.202 119.914 -0.233 0.000 2.384 247 V HA 0.377 4.498 4.120 0.000 0.000 0.287 247 V C 0.355 176.439 176.094 -0.017 0.000 1.020 247 V CA -0.314 61.934 62.300 -0.087 0.000 0.850 247 V CB 1.103 32.888 31.823 -0.063 0.000 0.987 247 V HN 0.390 nan 8.190 nan 0.000 0.436 248 I N 4.395 124.982 120.570 0.029 0.000 2.530 248 I HA 0.623 4.793 4.170 0.000 0.000 0.297 248 I C 0.368 176.549 176.117 0.107 0.000 1.011 248 I CA -0.129 61.230 61.300 0.097 0.000 1.107 248 I CB 2.504 40.594 38.000 0.150 0.000 1.285 248 I HN 0.761 nan 8.210 nan 0.000 0.436 249 T N 0.302 114.926 114.554 0.118 0.000 2.930 249 T HA 0.586 4.936 4.350 0.000 0.000 0.290 249 T C 0.135 174.930 174.700 0.158 0.000 1.052 249 T CA -0.707 61.463 62.100 0.117 0.000 1.017 249 T CB 1.616 70.540 68.868 0.092 0.000 1.137 249 T HN 0.653 nan 8.240 nan 0.000 0.511 250 T N 0.051 114.692 114.554 0.145 0.000 2.698 250 T HA 0.178 4.528 4.350 0.000 0.000 0.295 250 T C 0.911 175.780 174.700 0.282 0.000 1.007 250 T CA -0.425 61.765 62.100 0.150 0.000 0.980 250 T CB -0.132 68.769 68.868 0.055 0.000 1.036 250 T HN 0.516 nan 8.240 nan 0.000 0.526 251 Y N 0.339 120.703 120.300 0.107 0.000 2.165 251 Y HA -0.033 4.518 4.550 0.000 0.000 0.286 251 Y C 2.330 178.376 175.900 0.242 0.000 1.155 251 Y CA 0.608 58.811 58.100 0.170 0.000 1.164 251 Y CB -1.147 37.404 38.460 0.152 0.000 0.978 251 Y HN 0.510 nan 8.280 nan 0.000 0.513 252 I N -1.308 119.470 120.570 0.346 0.000 3.059 252 I HA 0.047 4.217 4.170 0.000 0.000 0.270 252 I C 1.935 178.232 176.117 0.301 0.000 1.238 252 I CA 0.868 62.360 61.300 0.320 0.000 1.478 252 I CB -0.445 37.712 38.000 0.260 0.000 1.097 252 I HN 0.034 nan 8.210 nan 0.000 0.455 253 A N 0.861 123.803 122.820 0.203 0.000 2.379 253 A HA 0.187 4.507 4.320 0.000 0.000 0.236 253 A C 0.703 178.331 177.584 0.074 0.000 1.272 253 A CA -0.305 51.786 52.037 0.091 0.000 0.886 253 A CB -0.317 18.720 19.000 0.061 0.000 0.962 253 A HN 0.181 nan 8.150 nan 0.000 0.504 254 K N -0.194 120.293 120.400 0.144 0.000 2.484 254 K HA 0.320 4.640 4.320 0.000 0.000 0.280 254 K C 1.117 177.761 176.600 0.073 0.000 1.013 254 K CA 1.030 57.383 56.287 0.110 0.000 1.029 254 K CB 0.151 32.736 32.500 0.141 0.000 0.902 254 K HN 0.630 nan 8.250 nan 0.000 0.481 255 G N 0.918 109.738 108.800 0.033 0.000 2.159 255 G HA2 -0.277 3.683 3.960 0.000 0.000 0.227 255 G HA3 -0.277 3.683 3.960 0.000 0.000 0.227 255 G C 0.661 175.540 174.900 -0.035 0.000 0.986 255 G CA 0.145 45.252 45.100 0.010 0.000 0.651 255 G HN 0.531 nan 8.290 nan 0.000 0.523 256 V N -1.802 118.082 119.914 -0.050 0.000 2.626 256 V HA 0.422 4.542 4.120 0.000 0.000 0.252 256 V C 1.253 177.301 176.094 -0.077 0.000 1.067 256 V CA 1.461 63.717 62.300 -0.074 0.000 1.081 256 V CB -0.309 31.472 31.823 -0.070 0.000 0.686 256 V HN 0.441 nan 8.190 nan 0.000 0.468 257 L N 0.367 121.545 121.223 -0.075 0.000 2.342 257 L HA 0.596 4.937 4.340 0.000 0.000 0.271 257 L C -2.509 174.349 176.870 -0.019 0.000 1.008 257 L CA -2.239 52.535 54.840 -0.111 0.000 0.818 257 L CB 2.046 43.966 42.059 -0.232 0.000 1.296 257 L HN -0.038 nan 8.230 nan 0.000 0.427 258 P HA 0.031 nan 4.420 nan 0.000 0.270 258 P C -0.617 176.735 177.300 0.086 0.000 1.223 258 P CA -0.413 62.727 63.100 0.067 0.000 0.785 258 P CB 0.434 32.191 31.700 0.095 0.000 0.923 259 V N 1.891 121.844 119.914 0.065 0.000 2.509 259 V HA 0.224 4.344 4.120 0.000 0.000 0.297 259 V C 1.668 177.804 176.094 0.071 0.000 1.014 259 V CA 2.021 64.358 62.300 0.062 0.000 1.127 259 V CB -0.725 31.126 31.823 0.047 0.000 0.925 259 V HN 1.055 nan 8.190 nan 0.000 0.480 260 G N 2.939 111.784 108.800 0.076 0.000 2.176 260 G HA2 -0.220 3.740 3.960 0.000 0.000 0.232 260 G HA3 -0.220 3.740 3.960 0.000 0.000 0.232 260 G C 0.311 175.256 174.900 0.076 0.000 0.986 260 G CA 0.128 45.264 45.100 0.060 0.000 0.643 260 G HN 0.879 nan 8.290 nan 0.000 0.522 261 H N 1.584 120.671 119.070 0.029 0.000 2.815 261 H HA 0.218 4.774 4.556 0.000 0.000 0.350 261 H C 1.576 176.935 175.328 0.052 0.000 1.080 261 H CA 1.078 57.147 56.048 0.036 0.000 1.433 261 H CB 0.622 30.406 29.762 0.036 0.000 1.432 261 H HN 0.514 nan 8.280 nan 0.000 0.592 262 E N 3.552 123.753 120.200 0.001 0.000 2.204 262 E HA -0.121 4.230 4.350 0.000 0.000 0.195 262 E C 1.516 178.296 176.600 0.300 0.000 0.990 262 E CA 0.753 57.216 56.400 0.105 0.000 0.821 262 E CB 0.268 29.969 29.700 0.003 0.000 0.750 262 E HN 0.607 nan 8.360 nan 0.000 0.477 263 L N 0.760 122.276 121.223 0.487 0.000 2.607 263 L HA 0.100 4.441 4.340 0.000 0.000 0.228 263 L C 0.701 177.704 176.870 0.221 0.000 1.123 263 L CA -0.351 54.663 54.840 0.290 0.000 0.890 263 L CB 0.044 42.207 42.059 0.173 0.000 1.103 263 L HN -0.034 nan 8.230 nan 0.000 0.468 264 N N 0.024 118.891 118.700 0.278 0.000 2.508 264 N HA -0.033 4.707 4.740 0.000 0.000 0.253 264 N C 0.355 176.032 175.510 0.278 0.000 1.145 264 N CA 0.063 53.226 53.050 0.188 0.000 0.973 264 N CB 0.249 38.817 38.487 0.135 0.000 1.305 264 N HN 0.032 nan 8.380 nan 0.000 0.506 265 Y N 1.603 121.892 120.300 -0.019 0.000 2.490 265 Y HA 0.253 4.803 4.550 0.000 0.000 0.281 265 Y C 1.754 177.623 175.900 -0.052 0.000 1.174 265 Y CA 0.284 58.353 58.100 -0.051 0.000 1.295 265 Y CB -0.347 38.067 38.460 -0.077 0.000 1.062 265 Y HN 0.597 nan 8.280 nan 0.000 0.522 266 G N -0.061 108.803 108.800 0.106 0.000 2.757 266 G HA2 0.115 4.075 3.960 0.000 0.000 0.638 266 G HA3 0.115 4.075 3.960 0.000 0.000 0.638 266 G C -0.471 174.457 174.900 0.047 0.000 1.344 266 G CA -0.740 44.381 45.100 0.034 0.000 0.855 266 G HN 0.516 nan 8.290 nan 0.000 0.537 267 A N -1.080 121.748 122.820 0.014 0.000 2.279 267 A HA 0.986 5.306 4.320 0.000 0.000 0.303 267 A C 0.714 178.325 177.584 0.044 0.000 1.108 267 A CA 0.362 52.437 52.037 0.064 0.000 0.830 267 A CB 1.146 20.187 19.000 0.069 0.000 1.106 267 A HN 2.396 nan 8.150 nan 0.000 0.493 268 V N -1.223 118.773 119.914 0.137 0.000 2.864 268 V HA 0.953 5.073 4.120 0.000 0.000 0.314 268 V C -0.120 176.074 176.094 0.166 0.000 1.073 268 V CA 0.101 62.475 62.300 0.124 0.000 0.956 268 V CB 1.257 33.217 31.823 0.229 0.000 1.023 268 V HN 1.487 nan 8.190 nan 0.000 0.435 269 T N -1.088 113.503 114.554 0.062 0.000 2.841 269 T HA 0.639 4.989 4.350 0.000 0.000 0.296 269 T C 0.911 175.554 174.700 -0.094 0.000 1.166 269 T CA 0.020 62.134 62.100 0.024 0.000 1.007 269 T CB 1.405 70.233 68.868 -0.067 0.000 1.253 269 T HN 1.305 nan 8.240 nan 0.000 0.511 270 G N -0.521 108.135 108.800 -0.241 0.000 2.484 270 G HA2 -0.006 3.954 3.960 0.000 0.000 0.218 270 G HA3 -0.006 3.954 3.960 0.000 0.000 0.218 270 G C 0.454 175.187 174.900 -0.279 0.000 1.130 270 G CA 0.359 45.272 45.100 -0.312 0.000 0.784 270 G HN 0.717 nan 8.290 nan 0.000 0.543 271 Y N -0.328 119.883 120.300 -0.149 0.000 2.493 271 Y HA 0.379 4.929 4.550 0.000 0.000 0.275 271 Y C 2.166 177.987 175.900 -0.133 0.000 1.183 271 Y CA -0.987 57.045 58.100 -0.112 0.000 1.258 271 Y CB -0.152 38.269 38.460 -0.064 0.000 1.108 271 Y HN 0.147 nan 8.280 nan 0.000 0.521 272 M N -0.111 119.467 119.600 -0.036 0.000 2.108 272 M HA -0.246 4.234 4.480 0.000 0.000 0.261 272 M C 1.167 177.439 176.300 -0.047 0.000 1.066 272 M CA 2.036 57.278 55.300 -0.097 0.000 1.107 272 M CB 0.079 32.624 32.600 -0.092 0.000 1.356 272 M HN 0.082 nan 8.290 nan 0.000 0.406 273 D N -0.143 120.267 120.400 0.017 0.000 2.117 273 D HA -0.064 4.576 4.640 0.000 0.000 0.198 273 D C 1.912 178.232 176.300 0.034 0.000 0.982 273 D CA 1.649 55.673 54.000 0.041 0.000 0.828 273 D CB -0.559 40.270 40.800 0.049 0.000 0.967 273 D HN 0.588 nan 8.370 nan 0.000 0.464 274 G N 0.414 109.246 108.800 0.054 0.000 2.421 274 G HA2 -0.139 3.821 3.960 0.000 0.000 0.217 274 G HA3 -0.139 3.821 3.960 0.000 0.000 0.217 274 G C 1.795 176.719 174.900 0.040 0.000 1.143 274 G CA 0.053 45.184 45.100 0.052 0.000 0.784 274 G HN 0.240 nan 8.290 nan 0.000 0.541 275 I N 0.080 120.649 120.570 -0.001 0.000 2.252 275 I HA -0.054 4.116 4.170 0.000 0.000 0.245 275 I C 2.376 178.355 176.117 -0.230 0.000 1.102 275 I CA 0.854 62.113 61.300 -0.067 0.000 1.385 275 I CB 0.017 37.853 38.000 -0.274 0.000 1.064 275 I HN 0.108 nan 8.210 nan 0.000 0.414 276 L N -0.295 120.762 121.223 -0.277 0.000 2.477 276 L HA 0.109 4.449 4.340 0.000 0.000 0.220 276 L C 0.284 177.059 176.870 -0.158 0.000 1.106 276 L CA 0.112 54.691 54.840 -0.435 0.000 0.851 276 L CB -0.164 41.705 42.059 -0.316 0.000 0.994 276 L HN 0.276 nan 8.230 nan 0.000 0.462 277 N N 0.341 119.027 118.700 -0.023 0.000 2.738 277 N HA -0.241 4.499 4.740 0.000 0.000 0.249 277 N C -0.708 174.880 175.510 0.129 0.000 1.047 277 N CA 0.959 54.039 53.050 0.051 0.000 0.707 277 N CB -1.127 37.395 38.487 0.058 0.000 0.937 277 N HN 0.233 nan 8.380 nan 0.000 0.545 278 F N 0.205 120.115 119.950 -0.067 0.000 2.628 278 F HA 0.355 4.882 4.527 0.000 0.000 0.309 278 F C -2.261 173.514 175.800 -0.043 0.000 1.108 278 F CA -1.632 56.334 58.000 -0.058 0.000 0.971 278 F CB 1.858 40.807 39.000 -0.084 0.000 1.279 278 F HN -0.197 nan 8.300 nan 0.000 0.441 279 P HA 0.191 nan 4.420 nan 0.000 0.237 279 P C -0.161 177.163 177.300 0.040 0.000 1.788 279 P CA 0.351 63.349 63.100 -0.169 0.000 1.061 279 P CB 0.458 31.994 31.700 -0.274 0.000 1.967 280 A N 2.781 125.735 122.820 0.224 0.000 1.872 280 A HA -0.087 4.233 4.320 0.000 0.000 0.214 280 A C 2.083 179.742 177.584 0.125 0.000 1.187 280 A CA 1.015 53.196 52.037 0.241 0.000 0.614 280 A CB -1.042 18.045 19.000 0.145 0.000 0.826 280 A HN 0.348 nan 8.150 nan 0.000 0.442 281 L N -0.646 120.652 121.223 0.125 0.000 2.093 281 L HA -0.185 4.155 4.340 0.000 0.000 0.208 281 L C 2.835 179.841 176.870 0.228 0.000 1.085 281 L CA 0.936 55.896 54.840 0.201 0.000 0.755 281 L CB -0.530 41.658 42.059 0.214 0.000 0.904 281 L HN 0.402 nan 8.230 nan 0.000 0.435 282 Q N -0.397 119.486 119.800 0.138 0.000 2.079 282 Q HA -0.135 4.205 4.340 0.000 0.000 0.200 282 Q C 2.260 178.320 176.000 0.099 0.000 0.974 282 Q CA 1.872 57.743 55.803 0.113 0.000 0.840 282 Q CB -0.521 28.245 28.738 0.047 0.000 0.898 282 Q HN 0.469 nan 8.270 nan 0.000 0.430 283 T N 1.405 116.012 114.554 0.087 0.000 2.746 283 T HA -0.169 4.181 4.350 0.000 0.000 0.267 283 T C 1.859 176.615 174.700 0.092 0.000 1.039 283 T CA 1.534 63.693 62.100 0.097 0.000 1.142 283 T CB -0.171 68.794 68.868 0.161 0.000 0.866 283 T HN 0.115 nan 8.240 nan 0.000 0.444 284 M N -0.022 119.580 119.600 0.004 0.000 2.132 284 M HA 0.065 4.545 4.480 0.000 0.000 0.263 284 M C 1.020 177.180 176.300 -0.232 0.000 1.065 284 M CA 1.765 56.957 55.300 -0.180 0.000 1.122 284 M CB -0.186 32.096 32.600 -0.530 0.000 1.365 284 M HN 0.227 nan 8.290 nan 0.000 0.411 285 F N -1.780 118.251 119.950 0.134 0.000 2.680 285 F HA 0.436 4.963 4.527 0.000 0.000 0.290 285 F C 2.108 177.907 175.800 -0.002 0.000 1.114 285 F CA 0.278 58.318 58.000 0.067 0.000 1.333 285 F CB -1.202 37.867 39.000 0.116 0.000 1.091 285 F HN 0.093 nan 8.300 nan 0.000 0.606 286 A N 1.393 124.314 122.820 0.169 0.000 1.903 286 A HA -0.179 4.141 4.320 0.000 0.000 0.219 286 A C -0.505 177.101 177.584 0.037 0.000 1.191 286 A CA 2.171 54.265 52.037 0.095 0.000 0.638 286 A CB -2.024 17.017 19.000 0.069 0.000 0.823 286 A HN 0.234 nan 8.150 nan 0.000 0.451 287 P HA 0.184 nan 4.420 nan 0.000 0.255 287 P C -0.122 177.126 177.300 -0.086 0.000 1.248 287 P CA 0.030 63.092 63.100 -0.064 0.000 0.807 287 P CB -0.013 31.608 31.700 -0.133 0.000 1.150 288 V N 3.258 123.086 119.914 -0.143 0.000 2.529 288 V HA -0.011 4.109 4.120 0.000 0.000 0.292 288 V C 1.407 177.528 176.094 0.044 0.000 1.028 288 V CA 0.933 63.194 62.300 -0.064 0.000 1.074 288 V CB 0.410 32.233 31.823 -0.000 0.000 0.958 288 V HN 0.222 nan 8.190 nan 0.000 0.481 289 D N 3.259 123.697 120.400 0.064 0.000 2.441 289 D HA 0.152 4.792 4.640 0.000 0.000 0.210 289 D C -0.035 176.288 176.300 0.039 0.000 1.102 289 D CA -0.085 53.948 54.000 0.055 0.000 0.840 289 D CB 0.698 41.530 40.800 0.053 0.000 0.990 289 D HN 0.347 nan 8.370 nan 0.000 0.505 290 L N 0.912 122.154 121.223 0.031 0.000 2.470 290 L HA 0.485 4.825 4.340 0.000 0.000 0.268 290 L C -1.814 175.032 176.870 -0.041 0.000 0.964 290 L CA -0.864 53.980 54.840 0.007 0.000 0.839 290 L CB 2.371 44.455 42.059 0.041 0.000 1.276 290 L HN -0.195 nan 8.230 nan 0.000 0.403 291 V N 6.272 126.101 119.914 -0.143 0.000 2.357 291 V HA 0.473 4.593 4.120 0.000 0.000 0.284 291 V C -0.433 175.496 176.094 -0.276 0.000 1.018 291 V CA -0.391 61.735 62.300 -0.290 0.000 0.841 291 V CB 1.450 32.849 31.823 -0.706 0.000 0.991 291 V HN 0.578 nan 8.190 nan 0.000 0.437 292 L N 5.041 126.147 121.223 -0.195 0.000 2.277 292 L HA 0.433 4.773 4.340 0.000 0.000 0.284 292 L C 0.728 177.482 176.870 -0.194 0.000 1.028 292 L CA -0.108 54.627 54.840 -0.175 0.000 0.835 292 L CB 1.529 43.528 42.059 -0.099 0.000 1.215 292 L HN 0.768 nan 8.230 nan 0.000 0.425 293 T N 0.195 114.615 114.554 -0.223 0.000 2.875 293 T HA 0.413 4.763 4.350 0.000 0.000 0.307 293 T C 0.041 174.710 174.700 -0.052 0.000 1.013 293 T CA -0.669 61.357 62.100 -0.123 0.000 0.970 293 T CB 0.237 69.017 68.868 -0.146 0.000 0.986 293 T HN 0.134 nan 8.240 nan 0.000 0.536 294 V N 3.861 123.746 119.914 -0.048 0.000 2.372 294 V HA 0.570 4.690 4.120 0.000 0.000 0.261 294 V C 1.403 177.489 176.094 -0.014 0.000 1.055 294 V CA 0.226 62.481 62.300 -0.075 0.000 0.930 294 V CB -0.134 31.667 31.823 -0.037 0.000 1.031 294 V HN 1.291 nan 8.190 nan 0.000 0.479 295 G N 4.058 112.841 108.800 -0.029 0.000 2.248 295 G HA2 -0.304 3.656 3.960 0.000 0.000 0.263 295 G HA3 -0.304 3.656 3.960 0.000 0.000 0.263 295 G C -0.203 174.731 174.900 0.056 0.000 1.082 295 G CA -0.143 44.959 45.100 0.003 0.000 0.863 295 G HN 0.855 nan 8.290 nan 0.000 0.495 296 Y N 1.032 121.332 120.300 -0.001 0.000 2.610 296 Y HA 0.453 5.003 4.550 0.000 0.000 0.332 296 Y C 0.169 176.118 175.900 0.082 0.000 1.201 296 Y CA 0.339 58.480 58.100 0.068 0.000 1.465 296 Y CB 1.052 39.607 38.460 0.158 0.000 1.283 296 Y HN 0.213 nan 8.280 nan 0.000 0.563 297 D N 5.044 124.996 120.400 -0.746 0.000 2.478 297 D HA 0.024 4.664 4.640 0.000 0.000 0.240 297 D C 0.023 175.925 176.300 -0.663 0.000 1.364 297 D CA -0.486 53.209 54.000 -0.509 0.000 0.987 297 D CB 0.306 40.971 40.800 -0.223 0.000 1.328 297 D HN 0.595 nan 8.370 nan 0.000 0.584 298 Y N 3.588 123.534 120.300 -0.590 0.000 2.228 298 Y HA -0.233 4.317 4.550 0.000 0.000 0.285 298 Y C 1.972 177.746 175.900 -0.210 0.000 1.178 298 Y CA 2.257 60.196 58.100 -0.268 0.000 1.202 298 Y CB -0.212 38.249 38.460 0.001 0.000 0.974 298 Y HN 0.541 nan 8.280 nan 0.000 0.527 299 A N 0.006 122.735 122.820 -0.151 0.000 1.978 299 A HA -0.217 4.103 4.320 0.000 0.000 0.220 299 A C 1.989 179.427 177.584 -0.242 0.000 1.170 299 A CA 1.795 53.715 52.037 -0.195 0.000 0.636 299 A CB -0.648 18.285 19.000 -0.112 0.000 0.810 299 A HN 0.640 nan 8.150 nan 0.000 0.448 300 E N -1.279 118.767 120.200 -0.256 0.000 2.516 300 E HA -0.058 4.292 4.350 0.000 0.000 0.199 300 E C 0.255 176.616 176.600 -0.400 0.000 1.069 300 E CA 0.401 56.633 56.400 -0.279 0.000 0.876 300 E CB -0.066 29.504 29.700 -0.216 0.000 0.843 300 E HN 0.537 nan 8.360 nan 0.000 0.530 301 D N -0.224 119.947 120.400 -0.382 0.000 3.090 301 D HA -0.202 4.438 4.640 0.000 0.000 0.215 301 D C -0.655 175.464 176.300 -0.303 0.000 1.140 301 D CA 0.408 54.170 54.000 -0.397 0.000 0.937 301 D CB -1.189 39.365 40.800 -0.410 0.000 1.108 301 D HN 0.210 nan 8.370 nan 0.000 0.420 302 L N 1.217 122.328 121.223 -0.188 0.000 2.312 302 L HA 0.338 4.678 4.340 0.000 0.000 0.287 302 L C 0.617 177.544 176.870 0.095 0.000 1.091 302 L CA -0.350 54.485 54.840 -0.007 0.000 0.846 302 L CB 0.142 42.278 42.059 0.128 0.000 1.219 302 L HN -0.044 nan 8.230 nan 0.000 0.439 303 R N 4.850 125.306 120.500 -0.075 0.000 2.536 303 R HA 0.313 4.653 4.340 0.000 0.000 0.279 303 R C -1.695 174.192 176.300 -0.689 0.000 1.001 303 R CA -1.691 54.329 56.100 -0.134 0.000 1.027 303 R CB 0.663 30.897 30.300 -0.109 0.000 1.096 303 R HN 0.351 nan 8.270 nan 0.000 0.502 304 P HA -0.257 nan 4.420 nan 0.000 0.216 304 P C 1.165 177.562 177.300 -1.504 0.000 1.154 304 P CA 1.668 63.503 63.100 -2.109 0.000 0.865 304 P CB 0.134 31.134 31.700 -1.166 0.000 0.789 305 S N -1.445 113.797 115.700 -0.762 0.000 2.440 305 S HA -0.217 4.253 4.470 0.000 0.000 0.238 305 S C 1.891 176.219 174.600 -0.454 0.000 1.010 305 S CA 1.482 59.387 58.200 -0.492 0.000 0.972 305 S CB -1.233 61.793 63.200 -0.290 0.000 0.774 305 S HN 0.019 nan 8.310 nan 0.000 0.501 306 M N 1.677 120.974 119.600 -0.506 0.000 2.132 306 M HA 0.057 4.537 4.480 0.000 0.000 0.263 306 M C 1.663 177.660 176.300 -0.506 0.000 1.065 306 M CA 1.507 56.598 55.300 -0.348 0.000 1.122 306 M CB -0.714 31.752 32.600 -0.223 0.000 1.365 306 M HN 0.697 nan 8.290 nan 0.000 0.411 307 W N 0.086 120.963 121.300 -0.704 0.000 3.077 307 W HA 0.296 4.956 4.660 0.000 0.000 0.266 307 W C 0.089 176.294 176.519 -0.524 0.000 1.300 307 W CA -0.239 56.416 57.345 -1.150 0.000 1.586 307 W CB -1.237 27.610 29.460 -1.022 0.000 1.103 307 W HN 0.173 nan 8.180 nan 0.000 0.652 308 Q N 2.627 122.225 119.800 -0.337 0.000 3.026 308 Q HA 0.130 4.470 4.340 0.000 0.000 0.258 308 Q C -0.374 175.590 176.000 -0.060 0.000 1.388 308 Q CA 0.384 56.109 55.803 -0.130 0.000 1.000 308 Q CB -0.073 28.532 28.738 -0.220 0.000 1.634 308 Q HN -0.063 nan 8.270 nan 0.000 0.571 309 K N 0.485 120.900 120.400 0.025 0.000 2.316 309 K HA 0.634 4.954 4.320 0.000 0.000 0.251 309 K C 0.469 177.119 176.600 0.083 0.000 0.934 309 K CA -0.114 56.212 56.287 0.065 0.000 0.802 309 K CB 2.016 34.601 32.500 0.141 0.000 1.171 309 K HN 0.473 nan 8.250 nan 0.000 0.426 310 G N 2.407 111.241 108.800 0.056 0.000 2.514 310 G HA2 -0.308 3.652 3.960 0.000 0.000 0.265 310 G HA3 -0.308 3.652 3.960 0.000 0.000 0.265 310 G C 0.204 175.131 174.900 0.046 0.000 1.150 310 G CA 0.042 45.173 45.100 0.051 0.000 0.959 310 G HN 0.791 nan 8.290 nan 0.000 0.556 311 I N -0.228 120.372 120.570 0.050 0.000 2.993 311 I HA 0.512 4.682 4.170 0.000 0.000 0.286 311 I C 0.440 176.589 176.117 0.053 0.000 1.215 311 I CA -0.476 60.852 61.300 0.046 0.000 1.393 311 I CB 0.409 38.438 38.000 0.047 0.000 1.371 311 I HN 0.460 nan 8.210 nan 0.000 0.602 312 E N 3.483 123.710 120.200 0.045 0.000 2.392 312 E HA 0.213 4.563 4.350 0.000 0.000 0.264 312 E C -0.788 175.847 176.600 0.059 0.000 1.024 312 E CA -0.005 56.425 56.400 0.050 0.000 0.903 312 E CB 0.883 30.607 29.700 0.039 0.000 0.963 312 E HN 0.468 nan 8.360 nan 0.000 0.432 313 K N 1.688 122.133 120.400 0.075 0.000 2.259 313 K HA 0.342 4.662 4.320 0.000 0.000 0.249 313 K C -0.128 176.507 176.600 0.058 0.000 0.942 313 K CA -0.808 55.519 56.287 0.066 0.000 0.816 313 K CB 1.566 34.110 32.500 0.073 0.000 1.155 313 K HN 0.045 nan 8.250 nan 0.000 0.428 314 K N 1.217 121.638 120.400 0.035 0.000 2.118 314 K HA 0.357 4.678 4.320 0.000 0.000 0.264 314 K C -0.256 176.342 176.600 -0.003 0.000 1.000 314 K CA -0.350 55.955 56.287 0.029 0.000 0.929 314 K CB 1.509 34.026 32.500 0.029 0.000 1.021 314 K HN 0.884 nan 8.250 nan 0.000 0.463 315 T N -2.302 112.255 114.554 0.005 0.000 2.893 315 T HA 0.531 4.881 4.350 0.000 0.000 0.293 315 T C -0.496 174.177 174.700 -0.046 0.000 1.027 315 T CA -0.853 61.224 62.100 -0.038 0.000 0.988 315 T CB 1.359 70.277 68.868 0.083 0.000 1.043 315 T HN 0.102 nan 8.240 nan 0.000 0.461 316 V N 2.874 122.731 119.914 -0.095 0.000 2.444 316 V HA 0.559 4.679 4.120 0.000 0.000 0.294 316 V C 0.218 176.213 176.094 -0.166 0.000 1.022 316 V CA -0.972 61.254 62.300 -0.123 0.000 0.850 316 V CB 1.488 33.242 31.823 -0.114 0.000 0.992 316 V HN 0.973 nan 8.190 nan 0.000 0.426 317 R N 4.471 124.857 120.500 -0.190 0.000 2.221 317 R HA 0.668 5.008 4.340 0.000 0.000 0.327 317 R C -1.368 174.783 176.300 -0.250 0.000 1.033 317 R CA -0.467 55.528 56.100 -0.175 0.000 0.887 317 R CB 0.751 30.895 30.300 -0.261 0.000 1.057 317 R HN 0.652 nan 8.270 nan 0.000 0.455 318 I N 2.777 123.180 120.570 -0.278 0.000 2.389 318 I HA 0.344 4.514 4.170 0.000 0.000 0.288 318 I C -0.440 175.557 176.117 -0.200 0.000 0.999 318 I CA -0.073 60.990 61.300 -0.395 0.000 1.129 318 I CB 2.037 39.565 38.000 -0.786 0.000 1.288 318 I HN 0.533 nan 8.210 nan 0.000 0.444 319 S N 6.601 122.199 115.700 -0.170 0.000 2.556 319 S HA 0.512 4.982 4.470 0.000 0.000 0.280 319 S C -2.702 171.831 174.600 -0.111 0.000 1.141 319 S CA -0.890 57.255 58.200 -0.092 0.000 0.883 319 S CB 1.966 65.159 63.200 -0.013 0.000 1.103 319 S HN 0.371 nan 8.310 nan 0.000 0.453 320 P HA 0.203 nan 4.420 nan 0.000 0.249 320 P C -0.092 177.170 177.300 -0.063 0.000 1.593 320 P CA 0.115 63.157 63.100 -0.097 0.000 0.896 320 P CB -0.869 30.782 31.700 -0.082 0.000 1.581 321 T N -4.085 110.439 114.554 -0.051 0.000 2.900 321 T HA 0.415 4.765 4.350 0.000 0.000 0.303 321 T C -0.330 174.352 174.700 -0.030 0.000 1.142 321 T CA -0.758 61.324 62.100 -0.030 0.000 1.007 321 T CB 1.287 70.149 68.868 -0.010 0.000 1.156 321 T HN -0.232 nan 8.240 nan 0.000 0.490 322 V N 2.713 122.613 119.914 -0.023 0.000 2.715 322 V HA 0.236 4.356 4.120 0.000 0.000 0.299 322 V C 1.017 177.100 176.094 -0.017 0.000 1.054 322 V CA -0.654 61.632 62.300 -0.025 0.000 1.077 322 V CB 0.526 32.337 31.823 -0.019 0.000 0.972 322 V HN 1.001 nan 8.190 nan 0.000 0.484 323 N N 6.499 125.180 118.700 -0.032 0.000 2.417 323 N HA 0.039 4.779 4.740 0.000 0.000 0.272 323 N C -1.024 174.477 175.510 -0.015 0.000 1.304 323 N CA -1.223 51.811 53.050 -0.026 0.000 0.906 323 N CB 0.876 39.313 38.487 -0.084 0.000 1.135 323 N HN 0.435 nan 8.380 nan 0.000 0.483 324 P HA 0.047 nan 4.420 nan 0.000 0.240 324 P C 0.285 177.578 177.300 -0.012 0.000 1.190 324 P CA 0.696 63.800 63.100 0.006 0.000 0.781 324 P CB 0.010 31.727 31.700 0.028 0.000 0.931 325 I N -3.566 116.985 120.570 -0.031 0.000 2.998 325 I HA 0.401 4.571 4.170 0.000 0.000 0.338 325 I C -1.898 174.168 176.117 -0.086 0.000 1.413 325 I CA -2.455 58.791 61.300 -0.090 0.000 0.880 325 I CB 1.079 38.934 38.000 -0.243 0.000 2.051 325 I HN -0.324 nan 8.210 nan 0.000 0.561 326 P HA -0.181 nan 4.420 nan 0.000 0.228 326 P C 1.458 178.724 177.300 -0.057 0.000 1.151 326 P CA 1.064 64.124 63.100 -0.067 0.000 0.770 326 P CB 0.112 31.776 31.700 -0.060 0.000 0.786 327 R N 0.167 120.630 120.500 -0.062 0.000 2.120 327 R HA -0.055 4.285 4.340 0.000 0.000 0.234 327 R C 1.654 177.914 176.300 -0.066 0.000 1.123 327 R CA 1.310 57.377 56.100 -0.056 0.000 0.975 327 R CB -0.154 30.116 30.300 -0.050 0.000 0.866 327 R HN 0.064 nan 8.270 nan 0.000 0.446 328 V N -1.191 118.662 119.914 -0.103 0.000 3.048 328 V HA 0.066 4.186 4.120 0.000 0.000 0.241 328 V C -0.259 175.808 176.094 -0.045 0.000 1.129 328 V CA 0.305 62.525 62.300 -0.133 0.000 1.128 328 V CB 0.241 31.867 31.823 -0.329 0.000 0.849 328 V HN 0.179 nan 8.190 nan 0.000 0.475 329 Y N 2.211 122.397 120.300 -0.190 0.000 2.327 329 Y HA 0.577 5.127 4.550 0.000 0.000 0.325 329 Y C -0.216 175.629 175.900 -0.093 0.000 0.999 329 Y CA -1.957 56.060 58.100 -0.139 0.000 1.195 329 Y CB 0.924 39.288 38.460 -0.161 0.000 1.132 329 Y HN 0.057 nan 8.280 nan 0.000 0.455 330 R N 7.529 128.043 120.500 0.023 0.000 2.335 330 R HA 0.330 4.670 4.340 0.000 0.000 0.302 330 R C -2.624 173.572 176.300 -0.173 0.000 1.147 330 R CA -1.706 54.312 56.100 -0.137 0.000 1.111 330 R CB 1.016 31.285 30.300 -0.053 0.000 1.122 330 R HN 0.467 nan 8.270 nan 0.000 0.557 331 P HA 0.014 nan 4.420 nan 0.000 0.272 331 P C -0.089 177.132 177.300 -0.131 0.000 1.223 331 P CA -0.170 62.751 63.100 -0.299 0.000 0.784 331 P CB 1.155 32.554 31.700 -0.501 0.000 0.923 332 D N 0.034 120.404 120.400 -0.050 0.000 2.144 332 D HA -0.031 4.609 4.640 0.000 0.000 0.199 332 D C 0.395 176.673 176.300 -0.037 0.000 0.984 332 D CA 1.429 55.413 54.000 -0.027 0.000 0.834 332 D CB 0.265 41.068 40.800 0.004 0.000 0.955 332 D HN 0.131 nan 8.370 nan 0.000 0.465 333 V N 1.035 120.916 119.914 -0.054 0.000 2.577 333 V HA 0.214 4.334 4.120 0.000 0.000 0.303 333 V C -0.824 175.209 176.094 -0.102 0.000 1.042 333 V CA -0.935 61.337 62.300 -0.046 0.000 0.872 333 V CB 2.484 34.309 31.823 0.004 0.000 0.998 333 V HN -0.150 nan 8.190 nan 0.000 0.423 334 D N 3.246 123.588 120.400 -0.097 0.000 2.440 334 D HA 0.492 5.132 4.640 0.000 0.000 0.239 334 D C -0.859 175.394 176.300 -0.078 0.000 1.084 334 D CA -0.164 53.757 54.000 -0.132 0.000 0.843 334 D CB 1.997 42.710 40.800 -0.144 0.000 1.097 334 D HN 0.277 nan 8.370 nan 0.000 0.531 335 V N 4.437 124.280 119.914 -0.118 0.000 2.294 335 V HA 0.266 4.387 4.120 0.000 0.000 0.272 335 V C 0.248 176.267 176.094 -0.124 0.000 1.027 335 V CA -0.849 61.411 62.300 -0.067 0.000 0.823 335 V CB 1.363 33.112 31.823 -0.123 0.000 1.030 335 V HN 0.347 nan 8.190 nan 0.000 0.457 336 V N 4.936 124.810 119.914 -0.067 0.000 2.320 336 V HA 0.624 4.744 4.120 0.000 0.000 0.265 336 V C 0.319 176.278 176.094 -0.225 0.000 1.048 336 V CA 0.391 62.621 62.300 -0.117 0.000 0.865 336 V CB 0.764 32.550 31.823 -0.061 0.000 1.043 336 V HN 1.001 nan 8.190 nan 0.000 0.474 337 T N 2.531 116.881 114.554 -0.341 0.000 2.700 337 T HA 0.227 4.577 4.350 0.000 0.000 0.307 337 T C -1.480 172.983 174.700 -0.396 0.000 1.580 337 T CA -0.664 61.090 62.100 -0.576 0.000 0.992 337 T CB 1.717 69.767 68.868 -1.363 0.000 1.577 337 T HN 0.692 nan 8.240 nan 0.000 0.496 338 D N 0.806 120.977 120.400 -0.381 0.000 2.455 338 D HA 0.208 4.848 4.640 0.000 0.000 0.241 338 D C 1.508 177.707 176.300 -0.169 0.000 1.138 338 D CA 0.228 54.100 54.000 -0.214 0.000 0.877 338 D CB 0.866 41.573 40.800 -0.155 0.000 1.187 338 D HN 0.247 nan 8.370 nan 0.000 0.451 339 V N 3.993 123.857 119.914 -0.082 0.000 2.343 339 V HA -0.201 3.919 4.120 0.000 0.000 0.247 339 V C 2.175 178.311 176.094 0.071 0.000 1.051 339 V CA 1.306 63.602 62.300 -0.006 0.000 1.036 339 V CB -0.686 31.134 31.823 -0.005 0.000 0.654 339 V HN 0.608 nan 8.190 nan 0.000 0.451 340 L N 1.016 122.257 121.223 0.031 0.000 2.017 340 L HA -0.108 4.232 4.340 0.000 0.000 0.208 340 L C 2.494 179.401 176.870 0.060 0.000 1.073 340 L CA 2.385 57.253 54.840 0.046 0.000 0.745 340 L CB -1.064 41.012 42.059 0.028 0.000 0.894 340 L HN 0.228 nan 8.230 nan 0.000 0.432 341 A N -0.770 122.064 122.820 0.024 0.000 1.917 341 A HA -0.313 4.008 4.320 0.000 0.000 0.219 341 A C 2.299 179.977 177.584 0.157 0.000 1.182 341 A CA 2.098 54.170 52.037 0.059 0.000 0.633 341 A CB -1.302 17.652 19.000 -0.077 0.000 0.819 341 A HN 0.604 nan 8.150 nan 0.000 0.448 342 F N 0.828 120.723 119.950 -0.092 0.000 2.095 342 F HA -0.164 4.363 4.527 0.000 0.000 0.298 342 F C 2.165 178.089 175.800 0.208 0.000 1.104 342 F CA 2.131 60.175 58.000 0.073 0.000 1.232 342 F CB -0.502 38.443 39.000 -0.091 0.000 0.987 342 F HN 0.019 nan 8.300 nan 0.000 0.475 343 V N 0.807 120.688 119.914 -0.054 0.000 2.343 343 V HA -0.278 3.842 4.120 0.000 0.000 0.247 343 V C 2.299 178.363 176.094 -0.051 0.000 1.051 343 V CA 2.311 64.535 62.300 -0.127 0.000 1.036 343 V CB -0.765 31.092 31.823 0.056 0.000 0.654 343 V HN 0.392 nan 8.190 nan 0.000 0.451 344 E N -0.477 119.742 120.200 0.032 0.000 2.047 344 E HA -0.267 4.084 4.350 0.000 0.000 0.191 344 E C 2.151 178.785 176.600 0.056 0.000 0.987 344 E CA 1.603 58.032 56.400 0.048 0.000 0.799 344 E CB -0.252 29.496 29.700 0.079 0.000 0.752 344 E HN 0.797 nan 8.360 nan 0.000 0.449 345 H N -0.347 118.749 119.070 0.044 0.000 2.387 345 H HA -0.147 4.409 4.556 0.000 0.000 0.299 345 H C 1.823 177.121 175.328 -0.051 0.000 1.090 345 H CA 1.472 57.540 56.048 0.034 0.000 1.332 345 H CB -0.095 29.770 29.762 0.172 0.000 1.386 345 H HN 0.094 nan 8.280 nan 0.000 0.516 346 F N 1.438 121.251 119.950 -0.229 0.000 2.186 346 F HA -0.121 4.406 4.527 0.000 0.000 0.299 346 F C 2.280 177.881 175.800 -0.331 0.000 1.090 346 F CA 1.313 59.090 58.000 -0.371 0.000 1.307 346 F CB -0.133 38.414 39.000 -0.755 0.000 1.019 346 F HN 0.208 nan 8.300 nan 0.000 0.489 347 E N -0.388 119.703 120.200 -0.182 0.000 2.097 347 E HA -0.196 4.154 4.350 0.000 0.000 0.196 347 E C 2.185 178.606 176.600 -0.299 0.000 1.000 347 E CA 1.995 58.262 56.400 -0.221 0.000 0.804 347 E CB -0.632 29.002 29.700 -0.110 0.000 0.740 347 E HN 0.358 nan 8.360 nan 0.000 0.454 348 T N 0.624 115.002 114.554 -0.293 0.000 2.857 348 T HA -0.001 4.349 4.350 0.000 0.000 0.266 348 T C 1.837 176.307 174.700 -0.384 0.000 1.048 348 T CA 1.084 63.005 62.100 -0.299 0.000 1.139 348 T CB -0.049 68.653 68.868 -0.277 0.000 0.874 348 T HN 0.231 nan 8.240 nan 0.000 0.455 349 A N 1.590 124.108 122.820 -0.502 0.000 2.066 349 A HA 0.006 4.326 4.320 0.000 0.000 0.218 349 A C 2.243 179.379 177.584 -0.745 0.000 1.157 349 A CA 1.559 53.291 52.037 -0.509 0.000 0.670 349 A CB -0.553 18.190 19.000 -0.429 0.000 0.804 349 A HN 0.559 nan 8.150 nan 0.000 0.453 350 T N -4.592 109.381 114.554 -0.969 0.000 3.182 350 T HA 0.557 4.907 4.350 0.000 0.000 0.277 350 T C 1.319 175.548 174.700 -0.785 0.000 1.013 350 T CA 0.657 61.841 62.100 -1.527 0.000 0.900 350 T CB 0.383 68.351 68.868 -1.499 0.000 1.098 350 T HN 0.363 nan 8.240 nan 0.000 0.543 351 A N 2.229 124.781 122.820 -0.447 0.000 1.972 351 A HA 0.033 4.353 4.320 0.000 0.000 0.219 351 A C 2.430 179.954 177.584 -0.099 0.000 1.169 351 A CA 1.573 53.476 52.037 -0.224 0.000 0.635 351 A CB -0.705 18.193 19.000 -0.171 0.000 0.810 351 A HN 0.766 nan 8.150 nan 0.000 0.446 352 S N -1.612 114.072 115.700 -0.026 0.000 2.557 352 S HA 0.354 4.824 4.470 0.000 0.000 0.223 352 S C -0.031 174.702 174.600 0.221 0.000 0.969 352 S CA -0.656 57.594 58.200 0.083 0.000 0.927 352 S CB -0.387 62.857 63.200 0.073 0.000 0.806 352 S HN 0.089 nan 8.310 nan 0.000 0.489 353 F N 3.063 122.965 119.950 -0.081 0.000 2.506 353 F HA 0.568 5.095 4.527 0.000 0.000 0.351 353 F C 1.433 177.205 175.800 -0.047 0.000 1.136 353 F CA -1.036 56.922 58.000 -0.069 0.000 1.298 353 F CB -0.021 38.925 39.000 -0.090 0.000 1.145 353 F HN 0.210 nan 8.300 nan 0.000 0.593 354 G N 1.252 110.107 108.800 0.091 0.000 2.415 354 G HA2 0.498 4.458 3.960 0.000 0.000 0.269 354 G HA3 0.498 4.458 3.960 0.000 0.000 0.269 354 G C -0.412 174.523 174.900 0.059 0.000 1.209 354 G CA -0.392 44.736 45.100 0.046 0.000 0.835 354 G HN 0.915 nan 8.290 nan 0.000 0.534 355 A N 2.095 124.946 122.820 0.052 0.000 2.492 355 A HA 0.436 4.756 4.320 0.000 0.000 0.236 355 A C 0.661 178.272 177.584 0.044 0.000 1.078 355 A CA 0.117 52.188 52.037 0.056 0.000 0.773 355 A CB 0.336 19.365 19.000 0.048 0.000 1.023 355 A HN 0.535 nan 8.150 nan 0.000 0.504 356 K N 1.077 121.510 120.400 0.056 0.000 2.095 356 K HA 0.309 4.629 4.320 0.000 0.000 0.252 356 K C -0.330 176.308 176.600 0.063 0.000 0.977 356 K CA -0.590 55.725 56.287 0.047 0.000 0.900 356 K CB 0.844 33.385 32.500 0.068 0.000 1.060 356 K HN 0.689 nan 8.250 nan 0.000 0.449 357 Q N 2.074 121.907 119.800 0.055 0.000 2.267 357 Q HA 0.154 4.494 4.340 0.000 0.000 0.255 357 Q C 0.182 176.329 176.000 0.245 0.000 0.923 357 Q CA -0.090 55.782 55.803 0.116 0.000 0.925 357 Q CB 1.116 29.914 28.738 0.099 0.000 1.195 357 Q HN 0.491 nan 8.270 nan 0.000 0.417 358 R N 1.516 122.165 120.500 0.248 0.000 2.536 358 R HA 0.402 4.742 4.340 0.000 0.000 0.279 358 R C 0.187 176.639 176.300 0.253 0.000 1.001 358 R CA -0.795 55.489 56.100 0.307 0.000 1.027 358 R CB 0.692 31.087 30.300 0.157 0.000 1.096 358 R HN 0.590 nan 8.270 nan 0.000 0.502 359 H N -0.029 119.024 119.070 -0.028 0.000 2.707 359 H HA 0.108 4.664 4.556 0.000 0.000 0.359 359 H C -0.924 174.409 175.328 0.008 0.000 1.113 359 H CA -0.567 55.350 56.048 -0.219 0.000 1.422 359 H CB 0.672 30.138 29.762 -0.494 0.000 1.443 359 H HN 0.655 nan 8.280 nan 0.000 0.591 360 D N 2.392 122.771 120.400 -0.034 0.000 2.348 360 D HA 0.090 4.730 4.640 0.000 0.000 0.253 360 D C 0.994 177.224 176.300 -0.118 0.000 1.161 360 D CA -0.410 53.550 54.000 -0.067 0.000 0.876 360 D CB 0.139 40.935 40.800 -0.007 0.000 1.160 360 D HN 0.684 nan 8.370 nan 0.000 0.459 361 I N 0.054 120.487 120.570 -0.229 0.000 3.947 361 I HA 0.289 4.459 4.170 0.000 0.000 0.327 361 I C 0.827 176.825 176.117 -0.198 0.000 1.519 361 I CA -0.475 60.681 61.300 -0.240 0.000 1.122 361 I CB 0.314 38.037 38.000 -0.462 0.000 1.146 361 I HN 0.168 nan 8.210 nan 0.000 0.442 362 E N 2.277 122.395 120.200 -0.137 0.000 2.160 362 E HA -0.126 4.224 4.350 0.000 0.000 0.195 362 E C -0.740 175.815 176.600 -0.075 0.000 0.991 362 E CA 1.292 57.629 56.400 -0.104 0.000 0.810 362 E CB -1.010 28.652 29.700 -0.063 0.000 0.742 362 E HN 0.543 nan 8.360 nan 0.000 0.466 363 P HA -0.143 nan 4.420 nan 0.000 0.218 363 P C 1.426 178.630 177.300 -0.159 0.000 1.149 363 P CA 0.710 63.838 63.100 0.047 0.000 0.817 363 P CB 0.086 31.935 31.700 0.248 0.000 0.785 364 L N -0.133 120.974 121.223 -0.195 0.000 2.044 364 L HA -0.032 4.308 4.340 0.000 0.000 0.205 364 L C 2.301 178.946 176.870 -0.375 0.000 1.075 364 L CA 1.737 56.299 54.840 -0.463 0.000 0.747 364 L CB -0.932 41.008 42.059 -0.199 0.000 0.903 364 L HN -0.251 nan 8.230 nan 0.000 0.435 365 R N -0.221 120.130 120.500 -0.248 0.000 2.103 365 R HA -0.176 4.164 4.340 0.000 0.000 0.242 365 R C 2.231 178.440 176.300 -0.152 0.000 1.142 365 R CA 1.463 57.453 56.100 -0.182 0.000 0.960 365 R CB -0.792 29.410 30.300 -0.163 0.000 0.858 365 R HN 0.557 nan 8.270 nan 0.000 0.439 366 A N 1.029 123.755 122.820 -0.157 0.000 1.933 366 A HA -0.188 4.132 4.320 0.000 0.000 0.218 366 A C 2.133 179.630 177.584 -0.147 0.000 1.175 366 A CA 1.448 53.415 52.037 -0.117 0.000 0.628 366 A CB -0.338 18.614 19.000 -0.080 0.000 0.814 366 A HN 0.095 nan 8.150 nan 0.000 0.444 367 R N 0.125 120.449 120.500 -0.293 0.000 2.092 367 R HA 0.054 4.394 4.340 0.000 0.000 0.231 367 R C 1.684 177.871 176.300 -0.188 0.000 1.119 367 R CA 1.582 57.480 56.100 -0.337 0.000 0.970 367 R CB -0.791 29.016 30.300 -0.820 0.000 0.864 367 R HN 0.545 nan 8.270 nan 0.000 0.440 368 I N 0.182 120.661 120.570 -0.152 0.000 2.252 368 I HA -0.185 3.985 4.170 0.000 0.000 0.245 368 I C 2.221 178.366 176.117 0.046 0.000 1.102 368 I CA 1.298 62.616 61.300 0.031 0.000 1.385 368 I CB -0.327 37.730 38.000 0.097 0.000 1.064 368 I HN 0.249 nan 8.210 nan 0.000 0.414 369 A N 0.025 122.844 122.820 -0.003 0.000 1.933 369 A HA -0.266 4.054 4.320 0.000 0.000 0.218 369 A C 2.320 179.911 177.584 0.012 0.000 1.175 369 A CA 1.983 54.022 52.037 0.002 0.000 0.628 369 A CB -0.571 18.419 19.000 -0.016 0.000 0.814 369 A HN 0.504 nan 8.150 nan 0.000 0.444 370 E N -1.841 118.370 120.200 0.018 0.000 2.158 370 E HA -0.109 4.242 4.350 0.000 0.000 0.191 370 E C 1.661 178.312 176.600 0.084 0.000 0.982 370 E CA 0.520 56.944 56.400 0.039 0.000 0.823 370 E CB -0.180 29.540 29.700 0.033 0.000 0.766 370 E HN 0.521 nan 8.360 nan 0.000 0.468 371 F N 1.369 121.248 119.950 -0.118 0.000 2.075 371 F HA -0.137 4.390 4.527 0.000 0.000 0.297 371 F C 1.922 177.641 175.800 -0.135 0.000 1.113 371 F CA 1.333 59.220 58.000 -0.189 0.000 1.218 371 F CB -0.298 38.520 39.000 -0.304 0.000 0.984 371 F HN 0.015 nan 8.300 nan 0.000 0.472 372 L N -0.608 120.561 121.223 -0.089 0.000 2.191 372 L HA -0.159 4.181 4.340 0.000 0.000 0.212 372 L C 2.408 179.239 176.870 -0.065 0.000 1.103 372 L CA 1.067 55.822 54.840 -0.141 0.000 0.769 372 L CB -0.930 41.069 42.059 -0.100 0.000 0.908 372 L HN 0.192 nan 8.230 nan 0.000 0.438 373 A N -1.257 121.546 122.820 -0.029 0.000 2.208 373 A HA -0.094 4.226 4.320 0.000 0.000 0.209 373 A C 0.667 178.247 177.584 -0.007 0.000 1.161 373 A CA -0.111 51.918 52.037 -0.013 0.000 0.782 373 A CB -0.439 18.560 19.000 -0.002 0.000 0.816 373 A HN 0.307 nan 8.150 nan 0.000 0.477 374 D N 1.109 121.510 120.400 0.001 0.000 2.854 374 D HA -0.047 4.593 4.640 0.000 0.000 0.243 374 D C -1.352 174.960 176.300 0.020 0.000 1.243 374 D CA -0.693 53.329 54.000 0.036 0.000 0.883 374 D CB 0.826 41.691 40.800 0.108 0.000 1.145 374 D HN 0.234 nan 8.370 nan 0.000 0.555 375 P HA 0.027 nan 4.420 nan 0.000 0.245 375 P C -0.166 177.089 177.300 -0.074 0.000 1.203 375 P CA 0.032 63.114 63.100 -0.030 0.000 0.792 375 P CB 0.262 31.945 31.700 -0.028 0.000 0.997 376 E N 0.523 120.649 120.200 -0.123 0.000 2.452 376 E HA 0.101 4.452 4.350 0.000 0.000 0.261 376 E C -0.156 176.236 176.600 -0.347 0.000 0.987 376 E CA 0.602 56.811 56.400 -0.319 0.000 0.926 376 E CB 0.076 29.420 29.700 -0.594 0.000 0.934 376 E HN 0.060 nan 8.360 nan 0.000 0.452 377 T N 3.337 117.707 114.554 -0.308 0.000 2.749 377 T HA 0.278 4.628 4.350 0.000 0.000 0.287 377 T C -0.720 173.835 174.700 -0.241 0.000 0.970 377 T CA -0.523 61.472 62.100 -0.174 0.000 0.980 377 T CB 0.078 68.892 68.868 -0.089 0.000 0.924 377 T HN 0.210 nan 8.240 nan 0.000 0.456 378 Y N 1.070 121.346 120.300 -0.041 0.000 2.376 378 Y HA 0.303 4.853 4.550 0.000 0.000 0.325 378 Y C 1.698 177.578 175.900 -0.033 0.000 1.199 378 Y CA -0.997 57.084 58.100 -0.031 0.000 1.206 378 Y CB 0.940 39.380 38.460 -0.034 0.000 1.229 378 Y HN 0.670 nan 8.280 nan 0.000 0.480 379 E N 0.407 120.681 120.200 0.124 0.000 2.170 379 E HA -0.114 4.236 4.350 0.000 0.000 0.191 379 E C 0.177 176.804 176.600 0.044 0.000 0.981 379 E CA 1.052 57.486 56.400 0.056 0.000 0.830 379 E CB 0.126 29.849 29.700 0.037 0.000 0.775 379 E HN 0.667 nan 8.360 nan 0.000 0.470 380 D N 0.228 120.661 120.400 0.055 0.000 2.722 380 D HA 0.187 4.827 4.640 0.000 0.000 0.239 380 D C 0.624 176.908 176.300 -0.026 0.000 1.249 380 D CA 0.099 54.105 54.000 0.009 0.000 0.830 380 D CB 0.176 40.978 40.800 0.004 0.000 1.025 380 D HN 0.128 nan 8.370 nan 0.000 0.486 381 G N 0.306 109.097 108.800 -0.015 0.000 2.663 381 G HA2 -0.155 3.805 3.960 0.000 0.000 0.686 381 G HA3 -0.155 3.805 3.960 0.000 0.000 0.686 381 G C -0.255 174.600 174.900 -0.074 0.000 1.288 381 G CA -0.604 44.461 45.100 -0.057 0.000 0.836 381 G HN 0.204 nan 8.290 nan 0.000 0.584 382 M N 0.215 119.748 119.600 -0.112 0.000 2.157 382 M HA 0.421 4.901 4.480 0.000 0.000 0.304 382 M C 1.039 177.159 176.300 -0.300 0.000 1.171 382 M CA -0.064 55.143 55.300 -0.155 0.000 1.157 382 M CB 0.394 32.905 32.600 -0.149 0.000 1.403 382 M HN 0.501 nan 8.290 nan 0.000 0.473 383 R N 0.255 120.500 120.500 -0.425 0.000 2.668 383 R HA 0.338 4.678 4.340 0.000 0.000 0.279 383 R C 0.772 176.766 176.300 -0.511 0.000 0.976 383 R CA -0.490 55.299 56.100 -0.519 0.000 0.978 383 R CB 0.986 30.843 30.300 -0.738 0.000 1.133 383 R HN 0.543 nan 8.270 nan 0.000 0.484 384 V N 2.625 122.298 119.914 -0.403 0.000 2.515 384 V HA -0.222 3.898 4.120 0.000 0.000 0.250 384 V C 2.223 178.165 176.094 -0.253 0.000 1.058 384 V CA 1.856 63.928 62.300 -0.379 0.000 1.064 384 V CB -0.902 30.562 31.823 -0.599 0.000 0.675 384 V HN 0.725 nan 8.190 nan 0.000 0.461 385 H N 0.620 119.581 119.070 -0.182 0.000 2.421 385 H HA -0.153 4.403 4.556 0.000 0.000 0.298 385 H C 1.956 177.149 175.328 -0.225 0.000 1.087 385 H CA 1.592 57.530 56.048 -0.183 0.000 1.330 385 H CB -0.440 28.955 29.762 -0.611 0.000 1.388 385 H HN 0.506 nan 8.280 nan 0.000 0.526 386 Q N 0.801 120.301 119.800 -0.500 0.000 2.123 386 Q HA -0.018 4.322 4.340 0.000 0.000 0.199 386 Q C 2.754 178.661 176.000 -0.156 0.000 0.966 386 Q CA 1.220 56.850 55.803 -0.289 0.000 0.845 386 Q CB 0.180 28.735 28.738 -0.305 0.000 0.907 386 Q HN 0.255 nan 8.270 nan 0.000 0.439 387 V N 1.166 120.985 119.914 -0.158 0.000 2.261 387 V HA -0.263 3.857 4.120 0.000 0.000 0.246 387 V C 2.153 178.241 176.094 -0.010 0.000 1.047 387 V CA 1.655 63.902 62.300 -0.088 0.000 1.015 387 V CB -0.424 31.336 31.823 -0.106 0.000 0.642 387 V HN 0.319 nan 8.190 nan 0.000 0.446 388 I N 0.352 120.943 120.570 0.036 0.000 2.226 388 I HA -0.260 3.910 4.170 0.000 0.000 0.245 388 I C 2.328 178.504 176.117 0.099 0.000 1.100 388 I CA 2.075 63.448 61.300 0.123 0.000 1.374 388 I CB -0.375 37.765 38.000 0.233 0.000 1.057 388 I HN 0.404 nan 8.210 nan 0.000 0.413 389 D N 0.275 120.698 120.400 0.038 0.000 2.123 389 D HA -0.177 4.463 4.640 0.000 0.000 0.196 389 D C 2.211 178.533 176.300 0.038 0.000 0.992 389 D CA 1.651 55.666 54.000 0.024 0.000 0.833 389 D CB 0.143 40.926 40.800 -0.027 0.000 0.954 389 D HN 0.160 nan 8.370 nan 0.000 0.455 390 S N -0.556 115.156 115.700 0.021 0.000 2.356 390 S HA -0.173 4.297 4.470 0.000 0.000 0.223 390 S C 2.057 176.707 174.600 0.084 0.000 1.032 390 S CA 1.097 59.316 58.200 0.031 0.000 1.005 390 S CB -0.304 62.894 63.200 -0.003 0.000 0.867 390 S HN 0.343 nan 8.310 nan 0.000 0.449 391 M N 1.519 121.186 119.600 0.111 0.000 2.108 391 M HA -0.139 4.341 4.480 0.000 0.000 0.261 391 M C 1.876 178.338 176.300 0.271 0.000 1.066 391 M CA 1.157 56.594 55.300 0.230 0.000 1.107 391 M CB -0.609 32.136 32.600 0.242 0.000 1.356 391 M HN 0.210 nan 8.290 nan 0.000 0.406 392 N N -0.002 118.802 118.700 0.175 0.000 2.069 392 N HA -0.129 4.611 4.740 0.000 0.000 0.191 392 N C 1.663 177.237 175.510 0.107 0.000 1.031 392 N CA 1.942 55.069 53.050 0.130 0.000 0.852 392 N CB -0.865 37.684 38.487 0.103 0.000 1.018 392 N HN 0.315 nan 8.380 nan 0.000 0.423 393 T N 0.860 115.474 114.554 0.099 0.000 2.684 393 T HA -0.067 4.283 4.350 0.000 0.000 0.267 393 T C 2.079 176.838 174.700 0.099 0.000 1.036 393 T CA 1.236 63.384 62.100 0.079 0.000 1.148 393 T CB -0.352 68.552 68.868 0.059 0.000 0.863 393 T HN 0.008 nan 8.240 nan 0.000 0.436 394 V N 1.089 121.099 119.914 0.160 0.000 2.548 394 V HA -0.077 4.043 4.120 0.000 0.000 0.249 394 V C 2.361 178.579 176.094 0.206 0.000 1.055 394 V CA 1.290 63.717 62.300 0.211 0.000 1.065 394 V CB -0.607 31.374 31.823 0.263 0.000 0.681 394 V HN 0.361 nan 8.190 nan 0.000 0.462 395 M N 0.652 120.342 119.600 0.149 0.000 2.117 395 M HA -0.152 4.328 4.480 0.000 0.000 0.262 395 M C 2.032 178.286 176.300 -0.076 0.000 1.065 395 M CA 1.828 57.029 55.300 -0.165 0.000 1.114 395 M CB -0.698 31.752 32.600 -0.250 0.000 1.361 395 M HN 0.415 nan 8.290 nan 0.000 0.408 396 E N -0.385 119.814 120.200 -0.003 0.000 2.110 396 E HA -0.230 4.120 4.350 0.000 0.000 0.193 396 E C 1.762 178.366 176.600 0.008 0.000 0.988 396 E CA 1.547 57.949 56.400 0.004 0.000 0.804 396 E CB -0.068 29.646 29.700 0.023 0.000 0.745 396 E HN 0.690 nan 8.360 nan 0.000 0.458 397 E N -0.029 120.186 120.200 0.025 0.000 2.047 397 E HA -0.157 4.193 4.350 0.000 0.000 0.191 397 E C 1.978 178.590 176.600 0.021 0.000 0.987 397 E CA 1.005 57.422 56.400 0.029 0.000 0.799 397 E CB -0.079 29.648 29.700 0.046 0.000 0.752 397 E HN 0.303 nan 8.360 nan 0.000 0.449 398 A N 1.373 124.205 122.820 0.020 0.000 1.930 398 A HA 0.207 4.527 4.320 0.000 0.000 0.215 398 A C 1.406 178.979 177.584 -0.019 0.000 1.176 398 A CA 0.778 52.824 52.037 0.014 0.000 0.632 398 A CB -0.172 18.854 19.000 0.042 0.000 0.819 398 A HN 0.238 nan 8.150 nan 0.000 0.445 399 A N 0.489 123.279 122.820 -0.050 0.000 2.322 399 A HA 0.512 4.832 4.320 0.000 0.000 0.269 399 A C -0.028 177.544 177.584 -0.020 0.000 1.094 399 A CA -0.538 51.470 52.037 -0.048 0.000 0.807 399 A CB 0.211 19.165 19.000 -0.077 0.000 1.047 399 A HN 0.342 nan 8.150 nan 0.000 0.487 400 E N 0.873 121.066 120.200 -0.012 0.000 2.392 400 E HA 0.235 4.585 4.350 0.000 0.000 0.259 400 E C -2.298 174.301 176.600 -0.002 0.000 1.108 400 E CA -1.740 54.658 56.400 -0.003 0.000 0.916 400 E CB -0.334 29.367 29.700 0.001 0.000 0.989 400 E HN 0.330 nan 8.360 nan 0.000 0.432 401 P HA 0.014 nan 4.420 nan 0.000 0.262 401 P C 0.499 177.805 177.300 0.010 0.000 1.182 401 P CA 1.024 64.129 63.100 0.008 0.000 0.761 401 P CB 0.308 32.015 31.700 0.011 0.000 0.795 402 G N 1.438 110.245 108.800 0.012 0.000 2.153 402 G HA2 -0.238 3.722 3.960 0.000 0.000 0.252 402 G HA3 -0.238 3.722 3.960 0.000 0.000 0.252 402 G C -0.005 174.902 174.900 0.012 0.000 0.994 402 G CA -0.038 45.070 45.100 0.014 0.000 0.698 402 G HN 0.568 nan 8.290 nan 0.000 0.521 403 E N -1.093 119.109 120.200 0.004 0.000 2.404 403 E HA 0.661 5.011 4.350 0.000 0.000 0.264 403 E C 0.413 177.002 176.600 -0.018 0.000 0.946 403 E CA -0.529 55.871 56.400 -0.000 0.000 0.806 403 E CB 1.958 31.656 29.700 -0.002 0.000 1.334 403 E HN 1.538 nan 8.360 nan 0.000 0.429 404 G N 0.213 108.998 108.800 -0.026 0.000 2.692 404 G HA2 -0.091 3.869 3.960 0.000 0.000 0.686 404 G HA3 -0.091 3.869 3.960 0.000 0.000 0.686 404 G C -0.829 174.052 174.900 -0.031 0.000 1.243 404 G CA -0.640 44.419 45.100 -0.069 0.000 0.782 404 G HN 0.395 nan 8.290 nan 0.000 0.625 405 T N 1.244 115.773 114.554 -0.042 0.000 2.921 405 T HA 0.636 4.986 4.350 0.000 0.000 0.297 405 T C 0.195 174.918 174.700 0.038 0.000 1.013 405 T CA -0.464 61.651 62.100 0.025 0.000 0.990 405 T CB 1.468 70.360 68.868 0.038 0.000 1.023 405 T HN 0.672 nan 8.240 nan 0.000 0.447 406 I N 2.923 123.565 120.570 0.121 0.000 2.339 406 I HA 0.465 4.635 4.170 0.000 0.000 0.290 406 I C -0.383 175.808 176.117 0.124 0.000 0.994 406 I CA -0.994 60.429 61.300 0.206 0.000 1.191 406 I CB 1.552 39.752 38.000 0.333 0.000 1.343 406 I HN 0.268 nan 8.210 nan 0.000 0.458 407 V N 4.926 124.902 119.914 0.102 0.000 2.483 407 V HA 0.400 4.520 4.120 0.000 0.000 0.295 407 V C 0.046 176.189 176.094 0.081 0.000 1.035 407 V CA -0.396 61.907 62.300 0.004 0.000 0.896 407 V CB 1.802 33.642 31.823 0.029 0.000 0.986 407 V HN 0.753 nan 8.190 nan 0.000 0.447 408 S N 2.519 118.221 115.700 0.003 0.000 2.502 408 S HA 0.377 4.847 4.470 0.000 0.000 0.304 408 S C -0.464 174.294 174.600 0.263 0.000 1.097 408 S CA -0.653 57.668 58.200 0.201 0.000 1.045 408 S CB 1.305 64.621 63.200 0.195 0.000 1.019 408 S HN 0.890 nan 8.310 nan 0.000 0.481 409 D N 2.036 122.698 120.400 0.436 0.000 2.376 409 D HA 0.292 4.932 4.640 0.000 0.000 0.268 409 D C -0.132 176.342 176.300 0.290 0.000 1.252 409 D CA -0.161 54.118 54.000 0.466 0.000 1.041 409 D CB 0.496 41.621 40.800 0.542 0.000 1.109 409 D HN 0.402 nan 8.370 nan 0.000 0.552 410 I N -0.582 120.167 120.570 0.298 0.000 2.493 410 I HA 0.621 4.791 4.170 0.000 0.000 0.298 410 I C 0.944 177.128 176.117 0.111 0.000 0.998 410 I CA -0.332 61.005 61.300 0.062 0.000 1.137 410 I CB 0.526 38.606 38.000 0.133 0.000 1.310 410 I HN 0.590 nan 8.210 nan 0.000 0.445 411 G N 3.711 112.429 108.800 -0.136 0.000 2.356 411 G HA2 0.041 4.001 3.960 0.000 0.000 0.300 411 G HA3 0.041 4.001 3.960 0.000 0.000 0.300 411 G C -0.374 174.487 174.900 -0.065 0.000 1.331 411 G CA -0.673 44.474 45.100 0.079 0.000 0.905 411 G HN 0.368 nan 8.290 nan 0.000 0.587 412 F N 0.888 120.875 119.950 0.061 0.000 2.171 412 F HA 0.031 4.558 4.527 0.000 0.000 0.300 412 F C 2.535 178.371 175.800 0.059 0.000 1.090 412 F CA 2.469 60.486 58.000 0.029 0.000 1.293 412 F CB -0.406 38.471 39.000 -0.203 0.000 1.013 412 F HN 0.486 nan 8.300 nan 0.000 0.486 413 F N 0.111 120.089 119.950 0.048 0.000 2.307 413 F HA -0.091 4.436 4.527 0.000 0.000 0.301 413 F C 2.297 178.146 175.800 0.082 0.000 1.076 413 F CA 1.306 59.337 58.000 0.053 0.000 1.383 413 F CB -1.210 37.864 39.000 0.123 0.000 1.055 413 F HN -0.105 nan 8.300 nan 0.000 0.526 414 R N 0.681 120.567 120.500 -1.024 0.000 2.115 414 R HA -0.153 4.187 4.340 0.000 0.000 0.230 414 R C 1.996 177.973 176.300 -0.538 0.000 1.111 414 R CA 1.740 57.350 56.100 -0.817 0.000 0.976 414 R CB -0.877 28.846 30.300 -0.962 0.000 0.870 414 R HN 0.473 nan 8.270 nan 0.000 0.445 415 H N -1.153 117.747 119.070 -0.283 0.000 2.495 415 H HA -0.092 4.464 4.556 0.000 0.000 0.287 415 H C 1.544 176.664 175.328 -0.347 0.000 1.033 415 H CA 0.922 56.765 56.048 -0.341 0.000 1.307 415 H CB -0.174 29.401 29.762 -0.311 0.000 1.401 415 H HN 0.262 nan 8.280 nan 0.000 0.555 416 Y N 0.846 121.050 120.300 -0.162 0.000 2.242 416 Y HA -0.084 4.466 4.550 0.000 0.000 0.291 416 Y C 2.841 178.744 175.900 0.005 0.000 1.137 416 Y CA 1.081 59.214 58.100 0.054 0.000 1.181 416 Y CB -0.489 38.137 38.460 0.277 0.000 0.989 416 Y HN 0.207 nan 8.280 nan 0.000 0.527 417 G N -0.688 108.181 108.800 0.116 0.000 2.402 417 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 417 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 417 G C 1.792 176.312 174.900 -0.633 0.000 1.162 417 G CA 1.224 46.297 45.100 -0.045 0.000 0.777 417 G HN 0.269 nan 8.290 nan 0.000 0.539 418 V N 0.921 120.505 119.914 -0.550 0.000 2.295 418 V HA -0.115 4.005 4.120 0.000 0.000 0.246 418 V C 2.894 178.656 176.094 -0.552 0.000 1.049 418 V CA 1.539 63.452 62.300 -0.645 0.000 1.024 418 V CB -0.372 31.099 31.823 -0.586 0.000 0.648 418 V HN 0.343 nan 8.190 nan 0.000 0.447 419 L N -1.735 119.121 121.223 -0.612 0.000 2.109 419 L HA -0.032 4.308 4.340 0.000 0.000 0.207 419 L C 2.046 178.494 176.870 -0.702 0.000 1.086 419 L CA 1.450 55.809 54.840 -0.801 0.000 0.760 419 L CB -0.307 40.943 42.059 -1.349 0.000 0.910 419 L HN 0.310 nan 8.230 nan 0.000 0.437 420 F N -0.721 119.161 119.950 -0.114 0.000 2.740 420 F HA 0.374 4.901 4.527 0.000 0.000 0.304 420 F C 1.319 177.083 175.800 -0.061 0.000 1.098 420 F CA -0.838 57.141 58.000 -0.035 0.000 1.258 420 F CB -0.481 38.571 39.000 0.086 0.000 1.061 420 F HN -0.216 nan 8.300 nan 0.000 0.598 421 A N 1.914 124.714 122.820 -0.032 0.000 2.477 421 A HA 0.316 4.636 4.320 0.000 0.000 0.246 421 A C 0.693 178.261 177.584 -0.028 0.000 1.078 421 A CA -0.409 51.612 52.037 -0.026 0.000 0.770 421 A CB 0.031 18.956 19.000 -0.125 0.000 1.011 421 A HN 0.351 nan 8.150 nan 0.000 0.494 422 R N 1.674 122.213 120.500 0.065 0.000 2.489 422 R HA 0.404 4.744 4.340 0.000 0.000 0.287 422 R C -0.407 175.944 176.300 0.085 0.000 1.053 422 R CA 0.686 56.825 56.100 0.064 0.000 1.036 422 R CB 0.259 30.600 30.300 0.067 0.000 0.966 422 R HN 0.863 nan 8.270 nan 0.000 0.432 423 A N 4.140 127.003 122.820 0.072 0.000 2.499 423 A HA 0.198 4.518 4.320 0.000 0.000 0.280 423 A C -0.881 176.740 177.584 0.061 0.000 1.135 423 A CA -0.743 51.353 52.037 0.097 0.000 0.744 423 A CB 1.473 20.553 19.000 0.134 0.000 1.213 423 A HN 0.857 nan 8.150 nan 0.000 0.434 424 D N 1.428 121.858 120.400 0.050 0.000 2.395 424 D HA 0.152 4.792 4.640 0.000 0.000 0.213 424 D C 0.473 176.789 176.300 0.026 0.000 1.110 424 D CA 0.761 54.782 54.000 0.035 0.000 0.835 424 D CB 0.291 41.107 40.800 0.027 0.000 0.965 424 D HN 0.760 nan 8.370 nan 0.000 0.505 425 Q N -1.453 118.363 119.800 0.027 0.000 2.534 425 Q HA 0.524 4.864 4.340 0.000 0.000 0.290 425 Q C -3.033 172.958 176.000 -0.016 0.000 0.991 425 Q CA -2.156 53.651 55.803 0.006 0.000 0.783 425 Q CB 1.468 30.216 28.738 0.018 0.000 1.470 425 Q HN -0.259 nan 8.270 nan 0.000 0.406 426 P HA 0.052 nan 4.420 nan 0.000 0.264 426 P C -0.934 176.242 177.300 -0.208 0.000 1.193 426 P CA 0.374 63.314 63.100 -0.267 0.000 0.763 426 P CB -0.085 31.378 31.700 -0.395 0.000 0.810 427 F N 1.050 121.039 119.950 0.065 0.000 3.057 427 F HA -0.183 4.344 4.527 0.000 0.000 0.287 427 F C 1.604 177.442 175.800 0.064 0.000 0.834 427 F CA 1.090 59.126 58.000 0.061 0.000 1.147 427 F CB -2.639 36.382 39.000 0.036 0.000 1.245 427 F HN 0.480 nan 8.300 nan 0.000 0.509 428 G N -1.252 107.669 108.800 0.202 0.000 2.572 428 G HA2 0.093 4.053 3.960 0.000 0.000 0.216 428 G HA3 0.093 4.053 3.960 0.000 0.000 0.216 428 G C 0.121 175.168 174.900 0.244 0.000 1.133 428 G CA 0.524 45.726 45.100 0.170 0.000 0.791 428 G HN 0.343 nan 8.290 nan 0.000 0.538 429 F N 1.145 121.168 119.950 0.121 0.000 2.477 429 F HA 0.667 5.194 4.527 0.000 0.000 0.335 429 F C -0.893 175.004 175.800 0.161 0.000 1.130 429 F CA -1.630 56.444 58.000 0.122 0.000 0.948 429 F CB 1.267 40.325 39.000 0.096 0.000 1.154 429 F HN -0.245 nan 8.300 nan 0.000 0.439 430 L N 6.046 126.977 121.223 -0.487 0.000 2.322 430 L HA 0.703 5.043 4.340 0.000 0.000 0.281 430 L C -0.083 176.503 176.870 -0.474 0.000 1.014 430 L CA -0.493 54.158 54.840 -0.315 0.000 0.815 430 L CB 2.016 44.021 42.059 -0.089 0.000 1.247 430 L HN 0.712 nan 8.230 nan 0.000 0.421 431 T N 0.378 114.787 114.554 -0.241 0.000 2.769 431 T HA 0.230 4.580 4.350 0.000 0.000 0.306 431 T C -1.265 173.254 174.700 -0.301 0.000 1.400 431 T CA -0.371 61.611 62.100 -0.197 0.000 1.007 431 T CB 2.060 70.781 68.868 -0.245 0.000 1.392 431 T HN 0.410 nan 8.240 nan 0.000 0.500 432 S N 1.248 116.536 115.700 -0.687 0.000 2.399 432 S HA 0.575 5.045 4.470 0.000 0.000 0.301 432 S C 1.044 175.516 174.600 -0.214 0.000 1.093 432 S CA 0.033 57.849 58.200 -0.640 0.000 1.077 432 S CB 0.052 62.647 63.200 -1.008 0.000 0.980 432 S HN 0.777 nan 8.310 nan 0.000 0.494 433 A N 4.501 127.260 122.820 -0.101 0.000 1.943 433 A HA 0.280 4.600 4.320 0.000 0.000 0.213 433 A C 1.944 179.447 177.584 -0.134 0.000 1.181 433 A CA 1.050 53.046 52.037 -0.069 0.000 0.653 433 A CB -0.890 18.045 19.000 -0.109 0.000 0.833 433 A HN 0.819 nan 8.150 nan 0.000 0.451 434 G N -1.596 107.129 108.800 -0.125 0.000 2.411 434 G HA2 -0.107 3.853 3.960 0.000 0.000 0.213 434 G HA3 -0.107 3.853 3.960 0.000 0.000 0.213 434 G C 1.636 176.478 174.900 -0.097 0.000 1.166 434 G CA 1.171 46.200 45.100 -0.120 0.000 0.802 434 G HN 0.520 nan 8.290 nan 0.000 0.533 435 C N -0.061 119.190 119.300 -0.083 0.000 2.524 435 C HA 0.377 4.837 4.460 0.000 0.000 0.284 435 C C 1.838 176.797 174.990 -0.053 0.000 1.346 435 C CA 1.135 60.123 59.018 -0.051 0.000 1.739 435 C CB -0.525 27.214 27.740 -0.003 0.000 2.119 435 C HN 0.448 nan 8.230 nan 0.000 0.501 436 S N 1.381 117.029 115.700 -0.087 0.000 3.614 436 S HA -0.172 4.298 4.470 0.000 0.000 0.360 436 S C 0.150 174.746 174.600 -0.006 0.000 1.023 436 S CA 0.725 58.885 58.200 -0.067 0.000 1.114 436 S CB -1.763 61.419 63.200 -0.030 0.000 0.907 436 S HN 0.868 nan 8.310 nan 0.000 0.470 437 S N 2.038 117.775 115.700 0.063 0.000 2.528 437 S HA 0.522 4.992 4.470 0.000 0.000 0.277 437 S C 0.580 175.364 174.600 0.307 0.000 1.297 437 S CA -0.795 57.486 58.200 0.135 0.000 1.052 437 S CB 0.001 63.322 63.200 0.203 0.000 0.917 437 S HN 0.496 nan 8.310 nan 0.000 0.492 438 F N 3.456 123.448 119.950 0.069 0.000 2.496 438 F HA 0.550 5.077 4.527 0.000 0.000 0.344 438 F C 1.265 177.133 175.800 0.114 0.000 1.155 438 F CA -0.982 57.093 58.000 0.126 0.000 1.302 438 F CB -1.117 37.960 39.000 0.129 0.000 1.159 438 F HN 0.849 nan 8.300 nan 0.000 0.595 439 G N 1.844 110.807 108.800 0.272 0.000 2.176 439 G HA2 -0.397 3.563 3.960 0.000 0.000 0.253 439 G HA3 -0.397 3.563 3.960 0.000 0.000 0.253 439 G C 0.683 175.861 174.900 0.463 0.000 0.979 439 G CA 0.387 45.594 45.100 0.178 0.000 0.641 439 G HN 1.037 nan 8.290 nan 0.000 0.530 440 Y N 1.641 122.170 120.300 0.383 0.000 2.333 440 Y HA 0.112 4.662 4.550 0.000 0.000 0.290 440 Y C 2.462 178.418 175.900 0.093 0.000 1.144 440 Y CA 2.453 60.705 58.100 0.253 0.000 1.228 440 Y CB -0.381 38.208 38.460 0.215 0.000 0.985 440 Y HN 0.227 nan 8.280 nan 0.000 0.542 441 G N 0.629 109.551 108.800 0.203 0.000 2.421 441 G HA2 -0.259 3.701 3.960 0.000 0.000 0.216 441 G HA3 -0.259 3.701 3.960 0.000 0.000 0.216 441 G C 1.721 176.614 174.900 -0.012 0.000 1.171 441 G CA 1.322 46.496 45.100 0.122 0.000 0.775 441 G HN 0.482 nan 8.290 nan 0.000 0.543 442 I N 1.795 122.363 120.570 -0.005 0.000 2.142 442 I HA -0.108 4.063 4.170 0.000 0.000 0.240 442 I C 0.054 176.089 176.117 -0.138 0.000 1.078 442 I CA 1.170 62.446 61.300 -0.040 0.000 1.343 442 I CB -0.797 37.164 38.000 -0.064 0.000 1.046 442 I HN 0.179 nan 8.210 nan 0.000 0.405 443 P HA -0.170 nan 4.420 nan 0.000 0.216 443 P C 1.355 178.409 177.300 -0.411 0.000 1.150 443 P CA 1.955 64.849 63.100 -0.343 0.000 0.837 443 P CB -0.063 31.346 31.700 -0.484 0.000 0.786 444 A N 0.375 122.878 122.820 -0.528 0.000 1.930 444 A HA -0.003 4.317 4.320 0.000 0.000 0.217 444 A C 2.447 179.877 177.584 -0.257 0.000 1.175 444 A CA 1.946 53.671 52.037 -0.520 0.000 0.627 444 A CB -1.449 17.078 19.000 -0.790 0.000 0.815 444 A HN 0.223 nan 8.150 nan 0.000 0.443 445 A N -0.131 122.590 122.820 -0.164 0.000 1.930 445 A HA -0.010 4.310 4.320 0.000 0.000 0.217 445 A C 2.086 179.638 177.584 -0.053 0.000 1.175 445 A CA 1.341 53.342 52.037 -0.060 0.000 0.627 445 A CB -0.525 18.480 19.000 0.008 0.000 0.815 445 A HN 0.484 nan 8.150 nan 0.000 0.443 446 I N -0.339 120.180 120.570 -0.085 0.000 2.179 446 I HA -0.202 3.968 4.170 0.000 0.000 0.242 446 I C 2.735 178.812 176.117 -0.066 0.000 1.088 446 I CA 1.197 62.464 61.300 -0.054 0.000 1.357 446 I CB -0.624 37.338 38.000 -0.063 0.000 1.051 446 I HN 0.394 nan 8.210 nan 0.000 0.409 447 G N 0.407 109.107 108.800 -0.165 0.000 2.440 447 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 447 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 447 G C 1.850 176.699 174.900 -0.086 0.000 1.154 447 G CA 0.878 45.875 45.100 -0.171 0.000 0.767 447 G HN 0.497 nan 8.290 nan 0.000 0.552 448 A N 0.138 122.907 122.820 -0.084 0.000 1.877 448 A HA -0.097 4.223 4.320 0.000 0.000 0.216 448 A C 2.326 179.909 177.584 -0.002 0.000 1.186 448 A CA 2.270 54.285 52.037 -0.037 0.000 0.620 448 A CB -0.465 18.518 19.000 -0.030 0.000 0.822 448 A HN 0.412 nan 8.150 nan 0.000 0.443 449 Q N -0.689 119.115 119.800 0.006 0.000 2.167 449 Q HA 0.013 4.353 4.340 0.000 0.000 0.202 449 Q C 1.929 177.947 176.000 0.030 0.000 0.970 449 Q CA 1.728 57.547 55.803 0.026 0.000 0.855 449 Q CB -0.363 28.398 28.738 0.038 0.000 0.911 449 Q HN 0.699 nan 8.270 nan 0.000 0.438 450 M N -1.209 118.411 119.600 0.033 0.000 2.254 450 M HA 0.004 4.484 4.480 0.000 0.000 0.265 450 M C 1.968 178.293 176.300 0.041 0.000 1.066 450 M CA 1.167 56.495 55.300 0.048 0.000 1.123 450 M CB -0.070 32.586 32.600 0.092 0.000 1.388 450 M HN 0.296 nan 8.290 nan 0.000 0.425 451 A N 0.371 123.209 122.820 0.030 0.000 1.968 451 A HA -0.002 4.318 4.320 0.000 0.000 0.217 451 A C 1.343 178.945 177.584 0.031 0.000 1.169 451 A CA 1.011 53.065 52.037 0.029 0.000 0.638 451 A CB -0.093 18.917 19.000 0.017 0.000 0.812 451 A HN 0.405 nan 8.150 nan 0.000 0.446 452 R N -0.431 120.086 120.500 0.029 0.000 2.835 452 R HA 0.194 4.534 4.340 0.000 0.000 0.290 452 R C -2.135 174.180 176.300 0.026 0.000 1.410 452 R CA -1.451 54.667 56.100 0.029 0.000 1.590 452 R CB 0.913 31.231 30.300 0.030 0.000 1.288 452 R HN 0.293 nan 8.270 nan 0.000 0.637 453 P HA -0.137 nan 4.420 nan 0.000 0.220 453 P C -0.041 177.274 177.300 0.024 0.000 1.148 453 P CA 1.186 64.301 63.100 0.025 0.000 0.803 453 P CB 0.399 32.113 31.700 0.022 0.000 0.782 454 D N -0.803 119.609 120.400 0.021 0.000 2.342 454 D HA 0.110 4.750 4.640 0.000 0.000 0.221 454 D C 0.625 176.934 176.300 0.015 0.000 1.101 454 D CA 0.308 54.319 54.000 0.018 0.000 0.837 454 D CB 0.319 41.128 40.800 0.016 0.000 0.938 454 D HN 0.351 nan 8.370 nan 0.000 0.508 455 Q N 0.620 120.429 119.800 0.015 0.000 2.345 455 Q HA 0.421 4.761 4.340 0.000 0.000 0.268 455 Q C -2.562 173.439 176.000 0.000 0.000 1.054 455 Q CA -2.058 53.746 55.803 0.002 0.000 0.835 455 Q CB 2.394 31.132 28.738 0.001 0.000 1.339 455 Q HN -0.115 nan 8.270 nan 0.000 0.447 456 P HA 0.080 nan 4.420 nan 0.000 0.271 456 P C -1.103 176.157 177.300 -0.067 0.000 1.216 456 P CA -0.085 62.988 63.100 -0.046 0.000 0.771 456 P CB 0.668 32.261 31.700 -0.179 0.000 0.864 457 T N 3.717 118.315 114.554 0.073 0.000 2.864 457 T HA 0.488 4.839 4.350 0.000 0.000 0.299 457 T C -0.729 174.200 174.700 0.382 0.000 1.011 457 T CA -0.189 61.986 62.100 0.125 0.000 0.975 457 T CB 0.016 68.945 68.868 0.101 0.000 0.962 457 T HN 0.048 nan 8.240 nan 0.000 0.448 458 F N 2.857 122.845 119.950 0.064 0.000 2.443 458 F HA 0.704 5.231 4.527 0.000 0.000 0.335 458 F C -0.101 175.740 175.800 0.068 0.000 1.104 458 F CA -2.159 55.882 58.000 0.067 0.000 1.013 458 F CB 1.527 40.574 39.000 0.079 0.000 1.136 458 F HN 0.321 nan 8.300 nan 0.000 0.470 459 L N 5.170 126.522 121.223 0.214 0.000 2.341 459 L HA 0.664 5.004 4.340 0.000 0.000 0.278 459 L C -1.260 175.660 176.870 0.083 0.000 1.005 459 L CA -0.509 54.417 54.840 0.144 0.000 0.818 459 L CB 1.564 43.689 42.059 0.110 0.000 1.259 459 L HN 0.581 nan 8.230 nan 0.000 0.418 460 I N 4.759 125.405 120.570 0.127 0.000 2.404 460 I HA 0.856 5.026 4.170 0.000 0.000 0.293 460 I C -0.799 175.330 176.117 0.019 0.000 0.992 460 I CA -0.217 61.104 61.300 0.034 0.000 1.149 460 I CB 1.407 39.481 38.000 0.124 0.000 1.315 460 I HN 0.900 nan 8.210 nan 0.000 0.446 461 A N 4.851 127.485 122.820 -0.311 0.000 2.556 461 A HA 0.837 5.157 4.320 0.000 0.000 0.294 461 A C -0.517 176.553 177.584 -0.858 0.000 1.091 461 A CA -0.407 51.404 52.037 -0.376 0.000 0.704 461 A CB 1.348 20.377 19.000 0.049 0.000 1.300 461 A HN 0.805 nan 8.150 nan 0.000 0.406 462 G N -0.470 107.880 108.800 -0.750 0.000 2.502 462 G HA2 0.443 4.403 3.960 0.000 0.000 0.305 462 G HA3 0.443 4.403 3.960 0.000 0.000 0.305 462 G C 0.391 175.201 174.900 -0.150 0.000 1.190 462 G CA 0.312 45.174 45.100 -0.396 0.000 0.933 462 G HN 0.797 nan 8.290 nan 0.000 0.503 463 D N -0.119 120.217 120.400 -0.105 0.000 2.144 463 D HA -0.098 4.542 4.640 0.000 0.000 0.200 463 D C 2.073 178.451 176.300 0.129 0.000 0.978 463 D CA 1.275 55.231 54.000 -0.072 0.000 0.833 463 D CB -0.580 40.297 40.800 0.128 0.000 0.961 463 D HN 0.460 nan 8.370 nan 0.000 0.470 464 G N 1.065 110.023 108.800 0.263 0.000 2.434 464 G HA2 -0.138 3.822 3.960 0.000 0.000 0.214 464 G HA3 -0.138 3.822 3.960 0.000 0.000 0.214 464 G C 1.794 176.756 174.900 0.103 0.000 1.202 464 G CA 1.135 46.423 45.100 0.313 0.000 0.788 464 G HN 0.450 nan 8.290 nan 0.000 0.539 465 G N 0.198 109.125 108.800 0.212 0.000 2.418 465 G HA2 -0.187 3.773 3.960 0.000 0.000 0.217 465 G HA3 -0.187 3.773 3.960 0.000 0.000 0.217 465 G C 1.669 176.517 174.900 -0.088 0.000 1.158 465 G CA 0.919 46.029 45.100 0.016 0.000 0.771 465 G HN 0.321 nan 8.290 nan 0.000 0.545 466 F N 0.850 120.747 119.950 -0.090 0.000 2.095 466 F HA -0.102 4.425 4.527 0.000 0.000 0.298 466 F C 2.468 178.247 175.800 -0.035 0.000 1.104 466 F CA 1.989 59.925 58.000 -0.107 0.000 1.232 466 F CB -0.230 38.620 39.000 -0.251 0.000 0.987 466 F HN 0.251 nan 8.300 nan 0.000 0.475 467 H N -0.197 118.842 119.070 -0.052 0.000 2.495 467 H HA -0.030 4.526 4.556 0.000 0.000 0.287 467 H C 2.449 177.600 175.328 -0.295 0.000 1.033 467 H CA 1.055 57.048 56.048 -0.091 0.000 1.307 467 H CB -0.444 29.336 29.762 0.031 0.000 1.401 467 H HN 0.350 nan 8.280 nan 0.000 0.555 468 S N -0.933 114.498 115.700 -0.450 0.000 2.419 468 S HA -0.145 4.325 4.470 0.000 0.000 0.233 468 S C 1.475 175.786 174.600 -0.482 0.000 1.016 468 S CA 1.498 59.319 58.200 -0.631 0.000 0.974 468 S CB -0.026 62.372 63.200 -1.337 0.000 0.786 468 S HN 0.412 nan 8.310 nan 0.000 0.492 469 N N 0.110 118.562 118.700 -0.414 0.000 2.475 469 N HA 0.217 4.957 4.740 0.000 0.000 0.272 469 N C 0.760 176.058 175.510 -0.353 0.000 1.482 469 N CA 0.544 53.408 53.050 -0.309 0.000 0.863 469 N CB 0.630 39.028 38.487 -0.148 0.000 1.400 469 N HN 0.383 nan 8.380 nan 0.000 0.489 470 S N -2.120 113.340 115.700 -0.400 0.000 2.522 470 S HA 0.018 4.488 4.470 0.000 0.000 0.227 470 S C 1.680 176.160 174.600 -0.199 0.000 0.986 470 S CA 0.472 58.404 58.200 -0.447 0.000 0.929 470 S CB -0.053 63.039 63.200 -0.180 0.000 0.769 470 S HN 0.118 nan 8.310 nan 0.000 0.529 471 S N 2.179 117.796 115.700 -0.139 0.000 2.419 471 S HA -0.072 4.398 4.470 0.000 0.000 0.233 471 S C 1.229 175.808 174.600 -0.035 0.000 1.016 471 S CA 1.043 59.207 58.200 -0.060 0.000 0.974 471 S CB -0.409 62.766 63.200 -0.042 0.000 0.786 471 S HN 0.565 nan 8.310 nan 0.000 0.492 472 D N 1.148 121.513 120.400 -0.058 0.000 2.378 472 D HA 0.077 4.717 4.640 0.000 0.000 0.227 472 D C 1.504 177.793 176.300 -0.018 0.000 1.012 472 D CA 0.122 54.105 54.000 -0.028 0.000 0.905 472 D CB -0.048 40.735 40.800 -0.028 0.000 0.895 472 D HN 0.357 nan 8.370 nan 0.000 0.532 473 L N 0.797 122.008 121.223 -0.019 0.000 2.081 473 L HA -0.193 4.147 4.340 0.000 0.000 0.212 473 L C 2.564 179.456 176.870 0.038 0.000 1.080 473 L CA 1.118 55.980 54.840 0.036 0.000 0.754 473 L CB -0.231 41.873 42.059 0.076 0.000 0.893 473 L HN 0.007 nan 8.230 nan 0.000 0.433 474 E N -0.082 120.134 120.200 0.028 0.000 2.077 474 E HA -0.202 4.148 4.350 0.000 0.000 0.193 474 E C 1.982 178.601 176.600 0.031 0.000 0.989 474 E CA 2.006 58.424 56.400 0.030 0.000 0.800 474 E CB -0.017 29.699 29.700 0.027 0.000 0.746 474 E HN 0.446 nan 8.360 nan 0.000 0.452 475 T N 1.562 116.134 114.554 0.029 0.000 2.746 475 T HA -0.097 4.253 4.350 0.000 0.000 0.267 475 T C 2.107 176.826 174.700 0.032 0.000 1.039 475 T CA 1.288 63.406 62.100 0.031 0.000 1.142 475 T CB -0.186 68.700 68.868 0.030 0.000 0.866 475 T HN 0.174 nan 8.240 nan 0.000 0.444 476 I N 1.255 121.846 120.570 0.034 0.000 2.226 476 I HA -0.203 3.967 4.170 0.000 0.000 0.245 476 I C 2.909 179.053 176.117 0.045 0.000 1.100 476 I CA 1.177 62.502 61.300 0.042 0.000 1.374 476 I CB -0.439 37.592 38.000 0.051 0.000 1.057 476 I HN 0.212 nan 8.210 nan 0.000 0.413 477 A N 0.681 123.528 122.820 0.045 0.000 1.898 477 A HA -0.245 4.076 4.320 0.000 0.000 0.216 477 A C 2.410 180.015 177.584 0.036 0.000 1.181 477 A CA 1.797 53.860 52.037 0.044 0.000 0.620 477 A CB -0.622 18.404 19.000 0.043 0.000 0.819 477 A HN 0.374 nan 8.150 nan 0.000 0.442 478 R N -0.238 120.281 120.500 0.032 0.000 2.081 478 R HA -0.014 4.326 4.340 0.000 0.000 0.235 478 R C 1.601 177.915 176.300 0.023 0.000 1.131 478 R CA 1.540 57.656 56.100 0.026 0.000 0.960 478 R CB -0.361 29.954 30.300 0.026 0.000 0.856 478 R HN 0.495 nan 8.270 nan 0.000 0.436 479 L N 0.498 121.736 121.223 0.024 0.000 2.492 479 L HA 0.049 4.389 4.340 0.000 0.000 0.223 479 L C 0.418 177.303 176.870 0.025 0.000 1.132 479 L CA 0.134 54.986 54.840 0.020 0.000 0.850 479 L CB -0.403 41.670 42.059 0.023 0.000 0.966 479 L HN 0.345 nan 8.230 nan 0.000 0.454 480 N N 0.945 119.664 118.700 0.032 0.000 2.738 480 N HA -0.205 4.535 4.740 0.000 0.000 0.249 480 N C -0.599 174.936 175.510 0.041 0.000 1.047 480 N CA 0.399 53.471 53.050 0.036 0.000 0.707 480 N CB -1.279 37.226 38.487 0.030 0.000 0.937 480 N HN 0.250 nan 8.380 nan 0.000 0.545 481 L N 0.787 122.038 121.223 0.046 0.000 2.278 481 L HA 0.334 4.674 4.340 0.000 0.000 0.287 481 L C -1.238 175.671 176.870 0.066 0.000 1.072 481 L CA -1.623 53.247 54.840 0.051 0.000 0.819 481 L CB 0.919 43.007 42.059 0.048 0.000 1.176 481 L HN 0.088 nan 8.230 nan 0.000 0.435 482 P HA 0.072 nan 4.420 nan 0.000 0.249 482 P C 0.029 177.399 177.300 0.117 0.000 1.686 482 P CA 0.092 63.243 63.100 0.086 0.000 0.873 482 P CB -0.367 31.378 31.700 0.074 0.000 1.828 483 I N 0.113 120.752 120.570 0.114 0.000 2.556 483 I HA 0.044 4.214 4.170 0.000 0.000 0.284 483 I C 0.658 176.856 176.117 0.136 0.000 1.114 483 I CA -0.374 61.007 61.300 0.135 0.000 1.418 483 I CB 1.025 39.087 38.000 0.104 0.000 1.394 483 I HN -0.165 nan 8.210 nan 0.000 0.552 484 V N 5.659 125.661 119.914 0.146 0.000 2.370 484 V HA 0.285 4.406 4.120 0.000 0.000 0.279 484 V C 0.163 176.231 176.094 -0.043 0.000 1.029 484 V CA -0.423 61.893 62.300 0.026 0.000 0.870 484 V CB 1.226 32.940 31.823 -0.181 0.000 0.984 484 V HN 0.741 nan 8.190 nan 0.000 0.451 485 T N 4.618 119.125 114.554 -0.079 0.000 2.794 485 T HA 0.568 4.918 4.350 0.000 0.000 0.280 485 T C -0.291 174.258 174.700 -0.252 0.000 0.987 485 T CA -0.393 61.625 62.100 -0.137 0.000 0.993 485 T CB 1.723 70.514 68.868 -0.128 0.000 0.939 485 T HN 0.329 nan 8.240 nan 0.000 0.449 486 V N 3.948 123.706 119.914 -0.260 0.000 2.384 486 V HA 0.379 4.499 4.120 0.000 0.000 0.287 486 V C -0.166 175.666 176.094 -0.436 0.000 1.020 486 V CA -0.755 61.361 62.300 -0.306 0.000 0.850 486 V CB 1.663 33.356 31.823 -0.216 0.000 0.987 486 V HN 0.718 nan 8.190 nan 0.000 0.436 487 V N 6.076 125.658 119.914 -0.552 0.000 2.333 487 V HA 0.294 4.414 4.120 0.000 0.000 0.274 487 V C 0.099 175.880 176.094 -0.522 0.000 1.028 487 V CA -0.652 61.216 62.300 -0.719 0.000 0.851 487 V CB 1.686 32.836 31.823 -1.121 0.000 1.000 487 V HN 0.725 nan 8.190 nan 0.000 0.456 488 V N 2.325 121.942 119.914 -0.496 0.000 2.372 488 V HA 0.516 4.636 4.120 0.000 0.000 0.261 488 V C 0.040 175.960 176.094 -0.289 0.000 1.055 488 V CA -0.392 61.696 62.300 -0.354 0.000 0.930 488 V CB 0.857 32.496 31.823 -0.306 0.000 1.031 488 V HN 0.754 nan 8.190 nan 0.000 0.479 489 N N 4.940 123.509 118.700 -0.218 0.000 2.444 489 N HA 0.369 5.109 4.740 0.000 0.000 0.262 489 N C 0.268 175.732 175.510 -0.076 0.000 0.974 489 N CA -0.436 52.551 53.050 -0.105 0.000 0.933 489 N CB 1.404 39.883 38.487 -0.014 0.000 1.137 489 N HN 0.879 nan 8.380 nan 0.000 0.498 490 N N 2.158 120.844 118.700 -0.024 0.000 2.238 490 N HA 0.085 4.825 4.740 0.000 0.000 0.235 490 N C -0.932 174.618 175.510 0.067 0.000 1.209 490 N CA -0.189 52.836 53.050 -0.043 0.000 0.879 490 N CB 0.067 38.437 38.487 -0.194 0.000 1.136 490 N HN 0.336 nan 8.380 nan 0.000 0.517 491 D N -0.192 120.306 120.400 0.164 0.000 2.837 491 D HA -0.134 4.506 4.640 0.000 0.000 0.230 491 D C -0.935 175.539 176.300 0.289 0.000 1.152 491 D CA 1.383 55.540 54.000 0.262 0.000 0.736 491 D CB -1.699 39.191 40.800 0.150 0.000 1.084 491 D HN 0.504 nan 8.370 nan 0.000 0.429 492 T N -0.524 114.217 114.554 0.312 0.000 2.889 492 T HA 0.306 4.656 4.350 0.000 0.000 0.315 492 T C -0.113 174.743 174.700 0.261 0.000 1.291 492 T CA -0.902 61.254 62.100 0.093 0.000 1.028 492 T CB 1.372 70.285 68.868 0.076 0.000 1.235 492 T HN -0.184 nan 8.240 nan 0.000 0.491 493 N N 1.759 120.504 118.700 0.074 0.000 2.671 493 N HA 0.208 4.948 4.740 0.000 0.000 0.274 493 N C 1.457 177.096 175.510 0.216 0.000 1.188 493 N CA -0.026 53.176 53.050 0.253 0.000 1.065 493 N CB 0.616 39.218 38.487 0.190 0.000 1.415 493 N HN 0.882 nan 8.380 nan 0.000 0.511 494 G N 1.137 110.122 108.800 0.309 0.000 2.421 494 G HA2 -0.246 3.715 3.960 0.000 0.000 0.216 494 G HA3 -0.246 3.715 3.960 0.000 0.000 0.216 494 G C 1.475 176.448 174.900 0.121 0.000 1.171 494 G CA 0.306 45.572 45.100 0.276 0.000 0.775 494 G HN 0.472 nan 8.290 nan 0.000 0.543 495 L N 0.730 122.075 121.223 0.203 0.000 2.081 495 L HA -0.090 4.250 4.340 0.000 0.000 0.212 495 L C 2.458 179.457 176.870 0.214 0.000 1.080 495 L CA 1.403 56.356 54.840 0.188 0.000 0.754 495 L CB -0.232 42.043 42.059 0.360 0.000 0.893 495 L HN 0.140 nan 8.230 nan 0.000 0.433 496 I N -0.802 119.907 120.570 0.231 0.000 2.406 496 I HA -0.178 3.992 4.170 0.000 0.000 0.249 496 I C 2.450 178.661 176.117 0.156 0.000 1.122 496 I CA 1.021 62.464 61.300 0.237 0.000 1.431 496 I CB -1.472 36.621 38.000 0.154 0.000 1.087 496 I HN 0.456 nan 8.210 nan 0.000 0.424 497 E N 1.048 121.295 120.200 0.079 0.000 2.077 497 E HA -0.252 4.098 4.350 0.000 0.000 0.193 497 E C 2.285 178.870 176.600 -0.025 0.000 0.989 497 E CA 1.016 57.434 56.400 0.029 0.000 0.800 497 E CB -0.016 29.692 29.700 0.013 0.000 0.746 497 E HN 0.269 nan 8.360 nan 0.000 0.452 498 L N 0.389 121.537 121.223 -0.126 0.000 2.012 498 L HA -0.222 4.118 4.340 0.000 0.000 0.210 498 L C 2.000 178.728 176.870 -0.236 0.000 1.073 498 L CA 1.833 56.499 54.840 -0.291 0.000 0.748 498 L CB -0.822 40.895 42.059 -0.571 0.000 0.891 498 L HN 0.213 nan 8.230 nan 0.000 0.431 499 Y N 0.148 120.416 120.300 -0.053 0.000 2.165 499 Y HA -0.290 4.260 4.550 0.000 0.000 0.286 499 Y C 2.715 178.617 175.900 0.003 0.000 1.155 499 Y CA 1.936 60.028 58.100 -0.013 0.000 1.164 499 Y CB -0.642 37.832 38.460 0.023 0.000 0.978 499 Y HN 0.377 nan 8.280 nan 0.000 0.513 500 Q N -0.177 119.736 119.800 0.188 0.000 2.077 500 Q HA -0.235 4.106 4.340 0.000 0.000 0.206 500 Q C 1.989 178.062 176.000 0.122 0.000 0.989 500 Q CA 1.608 57.530 55.803 0.199 0.000 0.853 500 Q CB -0.330 28.491 28.738 0.138 0.000 0.907 500 Q HN 0.546 nan 8.270 nan 0.000 0.418 501 N N 0.544 119.261 118.700 0.028 0.000 2.142 501 N HA -0.104 4.636 4.740 0.000 0.000 0.186 501 N C 1.930 177.381 175.510 -0.099 0.000 1.023 501 N CA 1.023 54.063 53.050 -0.016 0.000 0.852 501 N CB -0.127 38.340 38.487 -0.033 0.000 0.998 501 N HN 0.255 nan 8.380 nan 0.000 0.424 502 I N 0.776 121.273 120.570 -0.123 0.000 2.163 502 I HA -0.193 3.977 4.170 0.000 0.000 0.243 502 I C 2.434 178.400 176.117 -0.252 0.000 1.085 502 I CA 1.458 62.667 61.300 -0.152 0.000 1.347 502 I CB -0.500 37.431 38.000 -0.113 0.000 1.044 502 I HN 0.160 nan 8.210 nan 0.000 0.408 503 G N -1.163 107.502 108.800 -0.225 0.000 2.453 503 G HA2 -0.143 3.817 3.960 0.000 0.000 0.215 503 G HA3 -0.143 3.817 3.960 0.000 0.000 0.215 503 G C 1.079 175.583 174.900 -0.660 0.000 1.147 503 G CA 0.451 45.297 45.100 -0.424 0.000 0.802 503 G HN 0.479 nan 8.290 nan 0.000 0.535 504 H N -1.935 117.000 119.070 -0.224 0.000 3.233 504 H HA 0.231 4.788 4.556 0.000 0.000 0.263 504 H C 0.568 175.842 175.328 -0.089 0.000 1.168 504 H CA -0.347 55.615 56.048 -0.144 0.000 1.159 504 H CB 0.495 30.228 29.762 -0.049 0.000 1.593 504 H HN 0.282 nan 8.280 nan 0.000 0.580 505 H N 0.251 119.370 119.070 0.082 0.000 2.921 505 H HA -0.176 4.380 4.556 0.000 0.000 0.281 505 H C 0.076 175.436 175.328 0.053 0.000 1.165 505 H CA 1.407 57.483 56.048 0.046 0.000 1.151 505 H CB -1.308 28.472 29.762 0.029 0.000 1.311 505 H HN 0.603 nan 8.280 nan 0.000 0.361 506 R N -1.621 118.963 120.500 0.140 0.000 2.728 506 R HA 0.660 5.000 4.340 0.000 0.000 0.274 506 R C -1.056 175.293 176.300 0.082 0.000 1.030 506 R CA -0.777 55.382 56.100 0.099 0.000 0.876 506 R CB 1.142 31.496 30.300 0.090 0.000 1.259 506 R HN -0.043 nan 8.270 nan 0.000 0.468 507 S N -0.120 115.618 115.700 0.064 0.000 2.646 507 S HA 0.301 4.771 4.470 0.000 0.000 0.276 507 S C -0.963 173.696 174.600 0.098 0.000 1.222 507 S CA -0.449 57.787 58.200 0.060 0.000 1.014 507 S CB 0.611 63.827 63.200 0.027 0.000 0.991 507 S HN 0.627 nan 8.310 nan 0.000 0.533 508 H N 0.633 119.685 119.070 -0.030 0.000 3.036 508 H HA 0.342 4.898 4.556 0.000 0.000 0.295 508 H C -0.174 175.130 175.328 -0.041 0.000 1.124 508 H CA -0.566 55.456 56.048 -0.042 0.000 1.507 508 H CB 0.226 29.947 29.762 -0.068 0.000 1.591 508 H HN 0.446 nan 8.280 nan 0.000 0.510 509 D N 4.655 124.875 120.400 -0.300 0.000 2.158 509 D HA -0.120 4.520 4.640 0.000 0.000 0.197 509 D C -0.773 175.354 176.300 -0.288 0.000 0.995 509 D CA 0.945 54.798 54.000 -0.244 0.000 0.846 509 D CB -0.826 39.870 40.800 -0.173 0.000 0.941 509 D HN 0.546 nan 8.370 nan 0.000 0.456 510 P HA -0.070 nan 4.420 nan 0.000 0.221 510 P C 0.717 177.938 177.300 -0.133 0.000 1.145 510 P CA 1.457 64.402 63.100 -0.257 0.000 0.795 510 P CB 0.037 31.576 31.700 -0.269 0.000 0.775 511 A N -1.357 121.402 122.820 -0.103 0.000 2.267 511 A HA 0.159 4.479 4.320 0.000 0.000 0.213 511 A C 1.638 179.184 177.584 -0.064 0.000 1.192 511 A CA 0.911 52.941 52.037 -0.012 0.000 0.851 511 A CB -0.453 18.598 19.000 0.085 0.000 0.881 511 A HN 0.192 nan 8.150 nan 0.000 0.494 512 V N -5.676 114.150 119.914 -0.148 0.000 3.408 512 V HA 0.335 4.455 4.120 0.000 0.000 0.263 512 V C -0.031 175.782 176.094 -0.469 0.000 1.503 512 V CA -0.307 61.859 62.300 -0.222 0.000 1.046 512 V CB -0.131 31.633 31.823 -0.099 0.000 0.851 512 V HN 0.063 nan 8.190 nan 0.000 0.435 513 K N 1.534 121.702 120.400 -0.387 0.000 2.172 513 K HA 0.627 4.947 4.320 0.000 0.000 0.276 513 K C -1.235 175.137 176.600 -0.380 0.000 1.013 513 K CA -0.234 55.837 56.287 -0.361 0.000 0.913 513 K CB 1.668 34.072 32.500 -0.160 0.000 1.055 513 K HN 0.290 nan 8.250 nan 0.000 0.461 514 F N -0.562 119.420 119.950 0.054 0.000 2.541 514 F HA 0.467 4.994 4.527 0.000 0.000 0.331 514 F C 1.377 177.194 175.800 0.028 0.000 1.057 514 F CA -0.805 57.228 58.000 0.054 0.000 0.975 514 F CB 0.756 39.809 39.000 0.087 0.000 1.246 514 F HN 0.576 nan 8.300 nan 0.000 0.484 515 G N -0.497 108.446 108.800 0.239 0.000 2.535 515 G HA2 0.457 4.418 3.960 0.000 0.000 0.282 515 G HA3 0.457 4.418 3.960 0.000 0.000 0.282 515 G C -0.160 174.788 174.900 0.080 0.000 1.350 515 G CA -0.510 44.658 45.100 0.113 0.000 1.039 515 G HN 0.884 nan 8.290 nan 0.000 0.509 516 G N -1.623 107.183 108.800 0.010 0.000 2.380 516 G HA2 0.455 4.415 3.960 0.000 0.000 0.262 516 G HA3 0.455 4.415 3.960 0.000 0.000 0.262 516 G C -0.727 174.084 174.900 -0.150 0.000 1.243 516 G CA -0.117 44.955 45.100 -0.046 0.000 0.865 516 G HN 0.565 nan 8.290 nan 0.000 0.513 517 V N 2.838 122.583 119.914 -0.282 0.000 2.487 517 V HA 0.236 4.356 4.120 0.000 0.000 0.298 517 V C -0.678 175.025 176.094 -0.651 0.000 1.028 517 V CA -0.909 61.027 62.300 -0.608 0.000 0.860 517 V CB 1.928 33.070 31.823 -1.135 0.000 0.991 517 V HN 0.757 nan 8.190 nan 0.000 0.427 518 D N 3.251 123.352 120.400 -0.499 0.000 2.441 518 D HA 0.293 4.933 4.640 0.000 0.000 0.221 518 D C 0.471 176.550 176.300 -0.368 0.000 1.156 518 D CA -0.215 53.591 54.000 -0.322 0.000 0.896 518 D CB 0.661 41.349 40.800 -0.186 0.000 1.028 518 D HN 0.359 nan 8.370 nan 0.000 0.509 519 F N 2.112 121.973 119.950 -0.148 0.000 2.456 519 F HA -0.082 4.445 4.527 0.000 0.000 0.298 519 F C 2.320 178.038 175.800 -0.137 0.000 1.104 519 F CA 0.112 58.023 58.000 -0.148 0.000 1.435 519 F CB -0.118 38.757 39.000 -0.208 0.000 1.078 519 F HN 0.277 nan 8.300 nan 0.000 0.546 520 V N 0.042 119.954 119.914 -0.002 0.000 2.295 520 V HA -0.301 3.819 4.120 0.000 0.000 0.246 520 V C 2.582 178.644 176.094 -0.053 0.000 1.049 520 V CA 1.952 64.215 62.300 -0.062 0.000 1.024 520 V CB -1.293 30.484 31.823 -0.077 0.000 0.648 520 V HN 0.343 nan 8.190 nan 0.000 0.447 521 A N -0.624 122.159 122.820 -0.062 0.000 1.968 521 A HA -0.121 4.200 4.320 0.000 0.000 0.217 521 A C 2.142 179.700 177.584 -0.042 0.000 1.169 521 A CA 1.650 53.654 52.037 -0.055 0.000 0.638 521 A CB -0.480 18.479 19.000 -0.069 0.000 0.812 521 A HN 0.444 nan 8.150 nan 0.000 0.446 522 L N -0.237 120.956 121.223 -0.051 0.000 2.017 522 L HA -0.109 4.231 4.340 0.000 0.000 0.208 522 L C 2.780 179.681 176.870 0.051 0.000 1.073 522 L CA 2.064 56.902 54.840 -0.004 0.000 0.745 522 L CB -0.555 41.500 42.059 -0.006 0.000 0.894 522 L HN 0.351 nan 8.230 nan 0.000 0.432 523 A N -0.869 121.987 122.820 0.061 0.000 1.877 523 A HA -0.263 4.057 4.320 0.000 0.000 0.216 523 A C 2.185 179.782 177.584 0.022 0.000 1.186 523 A CA 1.950 54.017 52.037 0.052 0.000 0.620 523 A CB -0.746 18.255 19.000 0.001 0.000 0.822 523 A HN 0.571 nan 8.150 nan 0.000 0.443 524 E N -0.418 119.781 120.200 -0.000 0.000 2.160 524 E HA -0.114 4.237 4.350 0.000 0.000 0.195 524 E C 2.174 178.780 176.600 0.011 0.000 0.991 524 E CA 0.886 57.288 56.400 0.003 0.000 0.810 524 E CB -0.264 29.432 29.700 -0.007 0.000 0.742 524 E HN 0.635 nan 8.360 nan 0.000 0.466 525 A N 1.248 124.074 122.820 0.009 0.000 2.019 525 A HA -0.143 4.177 4.320 0.000 0.000 0.219 525 A C 1.715 179.311 177.584 0.020 0.000 1.164 525 A CA 1.060 53.103 52.037 0.011 0.000 0.644 525 A CB -0.177 18.826 19.000 0.006 0.000 0.805 525 A HN 0.161 nan 8.150 nan 0.000 0.449 526 N N -0.893 117.824 118.700 0.029 0.000 2.398 526 N HA 0.112 4.852 4.740 0.000 0.000 0.188 526 N C 0.938 176.468 175.510 0.033 0.000 1.122 526 N CA 0.884 53.954 53.050 0.033 0.000 0.866 526 N CB 0.408 38.921 38.487 0.045 0.000 0.970 526 N HN 0.613 nan 8.380 nan 0.000 0.462 527 G N 0.604 109.423 108.800 0.031 0.000 2.142 527 G HA2 -0.223 3.737 3.960 0.000 0.000 0.225 527 G HA3 -0.223 3.737 3.960 0.000 0.000 0.225 527 G C -0.324 174.602 174.900 0.043 0.000 1.015 527 G CA -0.166 44.954 45.100 0.034 0.000 0.716 527 G HN 0.144 nan 8.290 nan 0.000 0.508 528 V N 1.151 121.089 119.914 0.041 0.000 2.409 528 V HA 0.411 4.531 4.120 0.000 0.000 0.291 528 V C -0.044 176.070 176.094 0.033 0.000 1.020 528 V CA -1.289 61.040 62.300 0.049 0.000 0.848 528 V CB 1.716 33.565 31.823 0.043 0.000 0.990 528 V HN 0.258 nan 8.190 nan 0.000 0.430 529 D N 3.581 124.034 120.400 0.089 0.000 2.443 529 D HA 0.545 5.185 4.640 0.000 0.000 0.239 529 D C 0.166 176.386 176.300 -0.133 0.000 1.136 529 D CA 0.551 54.617 54.000 0.110 0.000 0.879 529 D CB 1.732 42.717 40.800 0.309 0.000 1.195 529 D HN 0.810 nan 8.370 nan 0.000 0.443 530 A N 1.242 123.920 122.820 -0.238 0.000 2.594 530 A HA 0.727 5.047 4.320 0.000 0.000 0.291 530 A C -0.480 176.885 177.584 -0.364 0.000 1.105 530 A CA -0.582 51.130 52.037 -0.543 0.000 0.694 530 A CB 2.448 21.268 19.000 -0.300 0.000 1.291 530 A HN 0.420 nan 8.150 nan 0.000 0.410 531 T N -0.577 113.734 114.554 -0.406 0.000 2.821 531 T HA 0.602 4.952 4.350 0.000 0.000 0.306 531 T C -1.274 173.340 174.700 -0.142 0.000 1.313 531 T CA -0.550 61.462 62.100 -0.148 0.000 1.012 531 T CB 1.403 70.295 68.868 0.041 0.000 1.298 531 T HN 0.858 nan 8.240 nan 0.000 0.502 532 R N 1.385 121.839 120.500 -0.077 0.000 2.393 532 R HA 0.806 5.146 4.340 0.000 0.000 0.310 532 R C -1.252 175.015 176.300 -0.055 0.000 0.968 532 R CA -0.546 55.509 56.100 -0.075 0.000 0.867 532 R CB 1.194 31.459 30.300 -0.058 0.000 1.124 532 R HN 0.686 nan 8.270 nan 0.000 0.450 533 A N 2.218 124.998 122.820 -0.067 0.000 2.343 533 A HA 0.357 4.677 4.320 0.000 0.000 0.308 533 A C 0.201 177.748 177.584 -0.062 0.000 1.092 533 A CA -0.599 51.406 52.037 -0.054 0.000 0.751 533 A CB 1.583 20.551 19.000 -0.054 0.000 1.203 533 A HN 0.876 nan 8.150 nan 0.000 0.452 534 T N -1.439 113.087 114.554 -0.048 0.000 3.040 534 T HA 0.305 4.655 4.350 0.000 0.000 0.266 534 T C 0.172 174.849 174.700 -0.038 0.000 1.005 534 T CA 0.413 62.485 62.100 -0.047 0.000 0.906 534 T CB -0.716 68.130 68.868 -0.036 0.000 1.082 534 T HN 0.919 nan 8.240 nan 0.000 0.531 535 N N -0.547 118.131 118.700 -0.037 0.000 2.934 535 N HA 0.427 5.167 4.740 0.000 0.000 0.253 535 N C 0.399 175.888 175.510 -0.036 0.000 1.466 535 N CA -1.170 51.861 53.050 -0.031 0.000 0.858 535 N CB 0.964 39.438 38.487 -0.022 0.000 1.459 535 N HN -0.195 nan 8.380 nan 0.000 0.532 536 R N -0.155 120.324 120.500 -0.034 0.000 2.096 536 R HA -0.187 4.154 4.340 0.000 0.000 0.240 536 R C 1.425 177.710 176.300 -0.025 0.000 1.139 536 R CA 2.024 58.104 56.100 -0.033 0.000 0.952 536 R CB -0.290 29.991 30.300 -0.031 0.000 0.854 536 R HN 0.799 nan 8.270 nan 0.000 0.436 537 E N 0.881 121.068 120.200 -0.021 0.000 2.077 537 E HA -0.220 4.130 4.350 0.000 0.000 0.193 537 E C 1.638 178.229 176.600 -0.015 0.000 0.989 537 E CA 1.379 57.769 56.400 -0.016 0.000 0.800 537 E CB 0.143 29.834 29.700 -0.015 0.000 0.746 537 E HN 0.400 nan 8.360 nan 0.000 0.452 538 E N 0.169 120.358 120.200 -0.018 0.000 2.106 538 E HA -0.179 4.171 4.350 0.000 0.000 0.192 538 E C 2.174 178.765 176.600 -0.015 0.000 0.984 538 E CA 0.653 57.044 56.400 -0.014 0.000 0.806 538 E CB -0.071 29.618 29.700 -0.019 0.000 0.750 538 E HN 0.209 nan 8.360 nan 0.000 0.458 539 L N 1.215 122.421 121.223 -0.027 0.000 2.017 539 L HA -0.151 4.189 4.340 0.000 0.000 0.208 539 L C 2.104 178.960 176.870 -0.024 0.000 1.073 539 L CA 1.507 56.326 54.840 -0.035 0.000 0.745 539 L CB -0.496 41.532 42.059 -0.052 0.000 0.894 539 L HN 0.112 nan 8.230 nan 0.000 0.432 540 L N -0.669 120.544 121.223 -0.016 0.000 2.042 540 L HA -0.247 4.093 4.340 0.000 0.000 0.210 540 L C 2.616 179.484 176.870 -0.004 0.000 1.076 540 L CA 1.390 56.227 54.840 -0.004 0.000 0.749 540 L CB -0.872 41.187 42.059 0.000 0.000 0.893 540 L HN 0.407 nan 8.230 nan 0.000 0.432 541 A N -0.334 122.482 122.820 -0.006 0.000 1.898 541 A HA -0.111 4.209 4.320 0.000 0.000 0.216 541 A C 2.510 180.088 177.584 -0.010 0.000 1.181 541 A CA 1.547 53.579 52.037 -0.009 0.000 0.620 541 A CB -0.645 18.351 19.000 -0.007 0.000 0.819 541 A HN 0.404 nan 8.150 nan 0.000 0.442 542 A N -0.270 122.562 122.820 0.019 0.000 1.902 542 A HA -0.021 4.299 4.320 0.000 0.000 0.217 542 A C 2.164 179.777 177.584 0.048 0.000 1.181 542 A CA 1.466 53.558 52.037 0.091 0.000 0.623 542 A CB -0.585 18.497 19.000 0.136 0.000 0.818 542 A HN 0.457 nan 8.150 nan 0.000 0.443 543 L N -1.224 119.989 121.223 -0.016 0.000 2.046 543 L HA -0.178 4.162 4.340 0.000 0.000 0.208 543 L C 2.878 179.712 176.870 -0.060 0.000 1.077 543 L CA 1.461 56.245 54.840 -0.094 0.000 0.747 543 L CB -0.393 41.600 42.059 -0.110 0.000 0.896 543 L HN 0.333 nan 8.230 nan 0.000 0.432 544 R N -0.052 120.432 120.500 -0.026 0.000 2.073 544 R HA -0.197 4.143 4.340 0.000 0.000 0.234 544 R C 2.330 178.585 176.300 -0.074 0.000 1.134 544 R CA 1.536 57.628 56.100 -0.014 0.000 0.952 544 R CB -0.285 30.011 30.300 -0.007 0.000 0.850 544 R HN 0.218 nan 8.270 nan 0.000 0.433 545 K N 0.116 120.432 120.400 -0.140 0.000 2.034 545 K HA -0.179 4.141 4.320 0.000 0.000 0.214 545 K C 2.084 178.449 176.600 -0.391 0.000 1.051 545 K CA 1.984 58.110 56.287 -0.268 0.000 0.931 545 K CB -0.487 31.802 32.500 -0.352 0.000 0.715 545 K HN 0.281 nan 8.250 nan 0.000 0.446 546 G N 0.195 108.719 108.800 -0.461 0.000 2.446 546 G HA2 -0.283 3.677 3.960 0.000 0.000 0.217 546 G HA3 -0.283 3.677 3.960 0.000 0.000 0.217 546 G C 1.595 176.435 174.900 -0.101 0.000 1.168 546 G CA 1.065 45.948 45.100 -0.362 0.000 0.771 546 G HN 0.497 nan 8.290 nan 0.000 0.551 547 A N 0.437 123.251 122.820 -0.010 0.000 2.019 547 A HA 0.034 4.354 4.320 0.000 0.000 0.219 547 A C 2.042 179.657 177.584 0.052 0.000 1.164 547 A CA 1.739 53.851 52.037 0.125 0.000 0.644 547 A CB -0.199 18.939 19.000 0.231 0.000 0.805 547 A HN 0.487 nan 8.150 nan 0.000 0.449 548 E N -1.236 118.953 120.200 -0.019 0.000 2.481 548 E HA 0.135 4.485 4.350 0.000 0.000 0.198 548 E C 1.268 177.839 176.600 -0.049 0.000 1.027 548 E CA -0.314 56.070 56.400 -0.026 0.000 0.900 548 E CB 0.167 29.846 29.700 -0.035 0.000 0.993 548 E HN 0.425 nan 8.360 nan 0.000 0.482 549 L N 0.346 121.521 121.223 -0.080 0.000 2.093 549 L HA 0.040 4.380 4.340 0.000 0.000 0.208 549 L C 1.589 178.439 176.870 -0.032 0.000 1.085 549 L CA 2.048 56.831 54.840 -0.094 0.000 0.755 549 L CB -0.360 41.601 42.059 -0.163 0.000 0.904 549 L HN 0.292 nan 8.230 nan 0.000 0.435 550 G N -0.586 108.213 108.800 -0.002 0.000 2.162 550 G HA2 -0.304 3.656 3.960 0.000 0.000 0.260 550 G HA3 -0.304 3.656 3.960 0.000 0.000 0.260 550 G C 0.559 175.476 174.900 0.028 0.000 0.976 550 G CA 0.626 45.736 45.100 0.016 0.000 0.655 550 G HN 0.454 nan 8.290 nan 0.000 0.533 551 R N -0.176 120.347 120.500 0.038 0.000 2.855 551 R HA 0.540 4.881 4.340 0.000 0.000 0.266 551 R C -2.732 173.625 176.300 0.095 0.000 1.034 551 R CA -2.013 54.124 56.100 0.061 0.000 0.944 551 R CB 1.752 32.090 30.300 0.064 0.000 1.219 551 R HN 0.040 nan 8.270 nan 0.000 0.474 552 P HA 0.057 nan 4.420 nan 0.000 0.269 552 P C -1.095 176.341 177.300 0.226 0.000 1.215 552 P CA 0.339 63.521 63.100 0.137 0.000 0.780 552 P CB 0.494 32.255 31.700 0.100 0.000 0.898 553 F N 1.994 121.942 119.950 -0.003 0.000 2.608 553 F HA 0.559 5.086 4.527 0.000 0.000 0.309 553 F C -1.636 174.132 175.800 -0.053 0.000 1.103 553 F CA -1.065 56.919 58.000 -0.028 0.000 0.954 553 F CB 1.602 40.575 39.000 -0.046 0.000 1.267 553 F HN 0.152 nan 8.300 nan 0.000 0.444 554 L N 6.396 127.234 121.223 -0.642 0.000 2.385 554 L HA 0.744 5.084 4.340 0.000 0.000 0.273 554 L C -1.610 174.866 176.870 -0.657 0.000 0.990 554 L CA -0.444 54.099 54.840 -0.495 0.000 0.821 554 L CB 1.616 43.492 42.059 -0.306 0.000 1.279 554 L HN 0.570 nan 8.230 nan 0.000 0.412 555 I N 4.079 124.386 120.570 -0.438 0.000 2.389 555 I HA 0.359 4.529 4.170 0.000 0.000 0.288 555 I C -0.402 175.536 176.117 -0.298 0.000 0.999 555 I CA -0.403 60.694 61.300 -0.338 0.000 1.129 555 I CB 1.822 39.694 38.000 -0.213 0.000 1.288 555 I HN 0.586 nan 8.210 nan 0.000 0.444 556 E N 6.089 126.146 120.200 -0.239 0.000 2.200 556 E HA 0.469 4.819 4.350 0.000 0.000 0.283 556 E C -1.417 175.083 176.600 -0.167 0.000 1.015 556 E CA -0.520 55.757 56.400 -0.205 0.000 0.819 556 E CB 1.398 31.039 29.700 -0.097 0.000 1.081 556 E HN 0.372 nan 8.360 nan 0.000 0.397 557 V N 7.468 127.268 119.914 -0.190 0.000 2.407 557 V HA 0.326 4.446 4.120 0.000 0.000 0.291 557 V C -2.220 173.783 176.094 -0.152 0.000 1.018 557 V CA -1.912 60.293 62.300 -0.158 0.000 0.842 557 V CB 1.422 33.143 31.823 -0.170 0.000 0.996 557 V HN 0.699 nan 8.190 nan 0.000 0.426 558 P HA 0.222 nan 4.420 nan 0.000 0.271 558 P C -0.539 176.670 177.300 -0.152 0.000 1.226 558 P CA 0.301 63.333 63.100 -0.114 0.000 0.765 558 P CB 1.406 33.058 31.700 -0.080 0.000 0.835 559 V N 0.954 120.747 119.914 -0.201 0.000 3.141 559 V HA 0.747 4.867 4.120 0.000 0.000 0.312 559 V C -0.789 175.099 176.094 -0.343 0.000 1.157 559 V CA -1.034 61.099 62.300 -0.278 0.000 1.041 559 V CB 2.222 33.848 31.823 -0.328 0.000 1.071 559 V HN 0.424 nan 8.190 nan 0.000 0.441 560 N N -0.745 117.723 118.700 -0.387 0.000 2.329 560 N HA 0.726 5.466 4.740 0.000 0.000 0.282 560 N C -1.786 173.536 175.510 -0.313 0.000 1.198 560 N CA -0.440 52.388 53.050 -0.370 0.000 0.790 560 N CB 2.023 40.402 38.487 -0.181 0.000 1.579 560 N HN 0.759 nan 8.380 nan 0.000 0.475 561 Y N 0.000 120.317 120.300 0.029 0.000 2.660 561 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 561 Y CA 0.000 58.153 58.100 0.088 0.000 1.940 561 Y CB 0.000 38.528 38.460 0.113 0.000 1.050 561 Y HN 0.000 nan 8.280 nan 0.000 0.758