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 2ihu_1_D DATA FIRST_RESID 11 DATA SEQUENCE KPTAAHALLS RLRDHGVGKV FGVVGREAAS ILFDEVEGID FVLTRHEFTA DATA SEQUENCE GVAADVLARI TGRPQACWAT LGPGMTNLST GIATSVLDRS PVIALAAQSE DATA SEQUENCE SHDIFPNDTH QCLDSVAIVA PMSKYAVELQ RPHEITDLVD SAVNAAMTEP DATA SEQUENCE VGPSFISLPV DLLGSSEGID TTVPNPPANT PAKPVGVVAD GWQKAADQAA DATA SEQUENCE ALLAEAKHPV LVVGAAAIRS GAVPAIRALA ERLNIPVITT YIAKGVLPVG DATA SEQUENCE HELNYGAVTG YMDGILNFPA LQTMFAPVDL VLTVGYDYAE DLRPSMWQKG DATA SEQUENCE IEKKTVRISP TVNPIPRVYR PDVDVVTDVL AFVEHFETAT ASFGAKQRHD DATA SEQUENCE IEPLRARIAE FLADPETYED GMRVHQVIDS MNTVMEEAAE PGEGTIVSDI DATA SEQUENCE GFFRHYGVLF ARADQPFGFL TSAGCSSFGY GIPAAIGAQM ARPDQPTFLI DATA SEQUENCE AGDGGFHSNS SDLETIARLN LPIVTVVVNN DTNGLIELYQ NIGHHRSHDP DATA SEQUENCE AVKFGGVDFV ALAEANGVDA TRATNREELL AALRKGAELG RPFLIEVPVN DATA SEQUENCE 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 0.000 176.550 176.600 -0.083 0.000 0.988 11 K CA 0.000 56.248 56.287 -0.065 0.000 0.838 11 K CB 0.000 32.471 32.500 -0.048 0.000 1.064 12 P HA 0.001 nan 4.420 nan 0.000 0.265 12 P C -0.311 176.945 177.300 -0.072 0.000 1.193 12 P CA -0.039 62.944 63.100 -0.195 0.000 0.765 12 P CB 0.519 31.938 31.700 -0.469 0.000 0.823 13 T N -1.692 112.859 114.554 -0.005 0.000 2.889 13 T HA 0.572 4.922 4.350 0.000 0.000 0.278 13 T C 1.271 176.009 174.700 0.062 0.000 0.995 13 T CA -0.232 61.882 62.100 0.023 0.000 0.966 13 T CB 0.934 69.809 68.868 0.011 0.000 1.237 13 T HN 0.204 nan 8.240 nan 0.000 0.591 14 A N 0.097 122.948 122.820 0.052 0.000 2.024 14 A HA 0.157 4.477 4.320 0.000 0.000 0.220 14 A C 2.530 180.148 177.584 0.056 0.000 1.164 14 A CA 1.967 54.039 52.037 0.058 0.000 0.643 14 A CB -1.596 17.430 19.000 0.044 0.000 0.806 14 A HN 1.202 nan 8.150 nan 0.000 0.451 15 A N -0.880 121.959 122.820 0.032 0.000 1.877 15 A HA -0.167 4.153 4.320 0.000 0.000 0.216 15 A C 1.992 179.563 177.584 -0.022 0.000 1.186 15 A CA 1.980 54.001 52.037 -0.026 0.000 0.620 15 A CB -0.873 18.062 19.000 -0.107 0.000 0.822 15 A HN 0.794 nan 8.150 nan 0.000 0.443 16 H N -0.298 118.736 119.070 -0.061 0.000 2.321 16 H HA 0.016 4.572 4.556 0.000 0.000 0.300 16 H C 2.195 177.517 175.328 -0.010 0.000 1.087 16 H CA 2.033 58.056 56.048 -0.041 0.000 1.319 16 H CB -0.172 29.570 29.762 -0.033 0.000 1.379 16 H HN 0.400 nan 8.280 nan 0.000 0.501 17 A N 0.639 123.564 122.820 0.175 0.000 1.933 17 A HA -0.135 4.185 4.320 0.000 0.000 0.218 17 A C 2.357 179.973 177.584 0.053 0.000 1.175 17 A CA 1.565 53.678 52.037 0.126 0.000 0.628 17 A CB -0.879 18.193 19.000 0.120 0.000 0.814 17 A HN 0.503 nan 8.150 nan 0.000 0.444 18 L N -0.136 121.117 121.223 0.049 0.000 1.994 18 L HA -0.116 4.224 4.340 0.000 0.000 0.208 18 L C 2.295 179.194 176.870 0.049 0.000 1.071 18 L CA 1.878 56.756 54.840 0.064 0.000 0.745 18 L CB -0.674 41.446 42.059 0.101 0.000 0.892 18 L HN 0.399 nan 8.230 nan 0.000 0.431 19 L N -1.042 120.177 121.223 -0.007 0.000 2.083 19 L HA -0.183 4.157 4.340 0.000 0.000 0.209 19 L C 2.723 179.558 176.870 -0.058 0.000 1.083 19 L CA 1.443 56.269 54.840 -0.023 0.000 0.752 19 L CB -0.810 41.198 42.059 -0.084 0.000 0.899 19 L HN 0.426 nan 8.230 nan 0.000 0.433 20 S N -0.179 115.441 115.700 -0.133 0.000 2.382 20 S HA -0.217 4.253 4.470 0.000 0.000 0.228 20 S C 2.189 176.776 174.600 -0.021 0.000 1.027 20 S CA 1.298 59.430 58.200 -0.113 0.000 0.991 20 S CB -0.077 63.038 63.200 -0.143 0.000 0.823 20 S HN 0.235 nan 8.310 nan 0.000 0.469 21 R N 0.974 121.487 120.500 0.022 0.000 2.090 21 R HA 0.243 4.583 4.340 0.000 0.000 0.228 21 R C 2.184 178.569 176.300 0.141 0.000 1.110 21 R CA 1.193 57.336 56.100 0.072 0.000 0.973 21 R CB -0.960 29.401 30.300 0.102 0.000 0.869 21 R HN 0.491 nan 8.270 nan 0.000 0.440 22 L N -0.127 121.168 121.223 0.120 0.000 2.046 22 L HA -0.124 4.216 4.340 0.000 0.000 0.208 22 L C 2.687 179.620 176.870 0.106 0.000 1.077 22 L CA 1.669 56.591 54.840 0.136 0.000 0.747 22 L CB -0.467 41.659 42.059 0.112 0.000 0.896 22 L HN 0.208 nan 8.230 nan 0.000 0.432 23 R N 0.229 120.758 120.500 0.049 0.000 2.096 23 R HA -0.185 4.155 4.340 0.000 0.000 0.235 23 R C 1.796 178.097 176.300 0.001 0.000 1.127 23 R CA 1.790 57.901 56.100 0.018 0.000 0.968 23 R CB -0.173 30.120 30.300 -0.012 0.000 0.861 23 R HN 0.352 nan 8.270 nan 0.000 0.440 24 D N -0.398 119.986 120.400 -0.027 0.000 2.182 24 D HA -0.157 4.484 4.640 0.000 0.000 0.201 24 D C 1.201 177.395 176.300 -0.176 0.000 0.986 24 D CA 1.149 55.080 54.000 -0.114 0.000 0.847 24 D CB -0.258 40.435 40.800 -0.177 0.000 0.942 24 D HN 0.416 nan 8.370 nan 0.000 0.467 25 H N -0.800 118.272 119.070 0.003 0.000 2.536 25 H HA 0.258 4.814 4.556 0.000 0.000 0.276 25 H C 1.401 176.732 175.328 0.006 0.000 1.019 25 H CA 0.751 56.801 56.048 0.004 0.000 1.159 25 H CB 0.467 30.231 29.762 0.003 0.000 1.373 25 H HN 0.206 nan 8.280 nan 0.000 0.584 26 G N 0.790 109.635 108.800 0.074 0.000 2.176 26 G HA2 -0.286 3.674 3.960 0.000 0.000 0.253 26 G HA3 -0.286 3.674 3.960 0.000 0.000 0.253 26 G C 0.315 175.243 174.900 0.047 0.000 0.979 26 G CA 0.273 45.402 45.100 0.049 0.000 0.641 26 G HN 0.225 nan 8.290 nan 0.000 0.530 27 V N 0.824 120.774 119.914 0.060 0.000 2.508 27 V HA 0.544 4.664 4.120 0.000 0.000 0.281 27 V C 1.564 177.669 176.094 0.017 0.000 1.041 27 V CA 1.079 63.406 62.300 0.046 0.000 1.016 27 V CB 1.282 33.145 31.823 0.065 0.000 0.984 27 V HN 0.613 nan 8.190 nan 0.000 0.478 28 G N 4.393 113.189 108.800 -0.006 0.000 2.944 28 G HA2 0.175 4.135 3.960 0.000 0.000 0.220 28 G HA3 0.175 4.135 3.960 0.000 0.000 0.220 28 G C 0.461 175.307 174.900 -0.089 0.000 1.100 28 G CA -0.104 44.975 45.100 -0.034 0.000 0.780 28 G HN 0.484 nan 8.290 nan 0.000 0.539 29 K N 0.585 120.904 120.400 -0.134 0.000 2.422 29 K HA 0.613 4.933 4.320 0.000 0.000 0.251 29 K C -1.514 174.885 176.600 -0.335 0.000 0.933 29 K CA -0.628 55.460 56.287 -0.332 0.000 0.798 29 K CB 2.949 35.116 32.500 -0.555 0.000 1.238 29 K HN -0.127 nan 8.250 nan 0.000 0.428 30 V N 3.771 123.411 119.914 -0.455 0.000 2.376 30 V HA 0.408 4.528 4.120 0.000 0.000 0.287 30 V C -0.734 174.874 176.094 -0.810 0.000 1.015 30 V CA -0.834 61.240 62.300 -0.376 0.000 0.834 30 V CB 0.526 32.270 31.823 -0.133 0.000 1.001 30 V HN 0.520 nan 8.190 nan 0.000 0.428 31 F N 3.095 122.797 119.950 -0.414 0.000 2.384 31 F HA 0.845 5.372 4.527 0.000 0.000 0.338 31 F C 1.035 176.572 175.800 -0.438 0.000 1.103 31 F CA 0.502 58.209 58.000 -0.489 0.000 1.157 31 F CB 1.726 40.571 39.000 -0.259 0.000 1.167 31 F HN 0.714 nan 8.300 nan 0.000 0.529 32 G N 0.759 109.364 108.800 -0.325 0.000 2.333 32 G HA2 0.424 4.384 3.960 0.000 0.000 0.288 32 G HA3 0.424 4.384 3.960 0.000 0.000 0.288 32 G C -2.373 172.714 174.900 0.312 0.000 1.286 32 G CA -0.803 44.353 45.100 0.093 0.000 0.865 32 G HN 0.489 nan 8.290 nan 0.000 0.506 33 V N 0.198 120.371 119.914 0.432 0.000 2.577 33 V HA 0.612 4.732 4.120 0.000 0.000 0.303 33 V C -0.026 176.297 176.094 0.381 0.000 1.042 33 V CA -0.693 61.811 62.300 0.340 0.000 0.872 33 V CB 1.483 33.410 31.823 0.174 0.000 0.998 33 V HN 0.771 nan 8.190 nan 0.000 0.423 34 V N 3.910 123.940 119.914 0.193 0.000 2.481 34 V HA 0.795 4.915 4.120 0.000 0.000 0.286 34 V C 0.872 177.057 176.094 0.150 0.000 1.042 34 V CA 0.315 62.711 62.300 0.160 0.000 0.928 34 V CB 1.310 33.029 31.823 -0.174 0.000 0.986 34 V HN 0.966 nan 8.190 nan 0.000 0.462 35 G N 3.317 112.243 108.800 0.210 0.000 2.940 35 G HA2 0.305 4.266 3.960 0.000 0.000 0.164 35 G HA3 0.305 4.266 3.960 0.000 0.000 0.164 35 G C 0.781 175.751 174.900 0.117 0.000 1.326 35 G CA -0.206 44.977 45.100 0.138 0.000 1.020 35 G HN 0.749 nan 8.290 nan 0.000 0.586 36 R N 0.132 120.693 120.500 0.102 0.000 2.285 36 R HA 0.014 4.354 4.340 0.000 0.000 0.213 36 R C 1.611 177.964 176.300 0.088 0.000 1.068 36 R CA 1.661 57.812 56.100 0.084 0.000 1.004 36 R CB -0.205 30.145 30.300 0.083 0.000 0.873 36 R HN 0.533 nan 8.270 nan 0.000 0.467 37 E N 1.521 121.799 120.200 0.131 0.000 2.472 37 E HA -0.125 4.226 4.350 0.000 0.000 0.200 37 E C 1.430 178.090 176.600 0.099 0.000 1.046 37 E CA 1.043 57.532 56.400 0.149 0.000 0.871 37 E CB -0.004 29.860 29.700 0.274 0.000 0.806 37 E HN 0.489 nan 8.360 nan 0.000 0.533 38 A N 1.638 124.499 122.820 0.069 0.000 2.076 38 A HA 0.031 4.351 4.320 0.000 0.000 0.220 38 A C 2.428 179.997 177.584 -0.025 0.000 1.160 38 A CA 1.565 53.599 52.037 -0.004 0.000 0.653 38 A CB -0.549 18.447 19.000 -0.008 0.000 0.801 38 A HN 0.417 nan 8.150 nan 0.000 0.455 39 A N -1.287 121.535 122.820 0.002 0.000 2.172 39 A HA 0.088 4.408 4.320 0.000 0.000 0.216 39 A C 2.119 179.694 177.584 -0.014 0.000 1.154 39 A CA 1.741 53.776 52.037 -0.003 0.000 0.701 39 A CB -0.286 18.723 19.000 0.015 0.000 0.789 39 A HN 0.405 nan 8.150 nan 0.000 0.465 40 S N -1.903 113.786 115.700 -0.019 0.000 2.554 40 S HA 0.404 4.874 4.470 0.000 0.000 0.227 40 S C 0.166 174.709 174.600 -0.094 0.000 1.050 40 S CA -0.103 58.081 58.200 -0.027 0.000 0.927 40 S CB 0.226 63.434 63.200 0.015 0.000 0.859 40 S HN 0.485 nan 8.310 nan 0.000 0.494 41 I N 1.103 121.567 120.570 -0.176 0.000 2.586 41 I HA 0.335 4.505 4.170 0.000 0.000 0.288 41 I C -0.162 175.674 176.117 -0.468 0.000 1.147 41 I CA -0.465 60.587 61.300 -0.414 0.000 1.047 41 I CB 1.315 38.906 38.000 -0.682 0.000 1.244 41 I HN 0.040 nan 8.210 nan 0.000 0.429 42 L N 6.811 127.804 121.223 -0.383 0.000 2.202 42 L HA 0.210 4.550 4.340 0.000 0.000 0.205 42 L C 0.332 177.119 176.870 -0.138 0.000 1.083 42 L CA 0.913 55.624 54.840 -0.215 0.000 0.790 42 L CB 0.058 42.045 42.059 -0.119 0.000 0.942 42 L HN 0.846 nan 8.230 nan 0.000 0.452 43 F N -0.490 119.326 119.950 -0.224 0.000 2.536 43 F HA -0.208 4.319 4.527 0.000 0.000 0.299 43 F C 0.724 176.457 175.800 -0.113 0.000 0.654 43 F CA 0.602 58.481 58.000 -0.200 0.000 1.632 43 F CB -1.796 37.036 39.000 -0.279 0.000 2.021 43 F HN 0.345 nan 8.300 nan 0.000 0.311 44 D N -0.827 119.575 120.400 0.002 0.000 2.469 44 D HA 0.163 4.803 4.640 0.000 0.000 0.215 44 D C 1.300 177.592 176.300 -0.013 0.000 1.154 44 D CA 0.320 54.323 54.000 0.004 0.000 0.832 44 D CB 0.024 40.824 40.800 -0.000 0.000 1.008 44 D HN 0.282 nan 8.370 nan 0.000 0.506 45 E N -0.022 120.152 120.200 -0.044 0.000 2.118 45 E HA -0.006 4.344 4.350 0.000 0.000 0.195 45 E C 0.215 176.793 176.600 -0.036 0.000 0.992 45 E CA 0.896 57.287 56.400 -0.014 0.000 0.804 45 E CB 0.258 29.929 29.700 -0.049 0.000 0.741 45 E HN 0.147 nan 8.360 nan 0.000 0.458 46 V N 1.154 121.017 119.914 -0.086 0.000 2.483 46 V HA 0.139 4.259 4.120 0.000 0.000 0.297 46 V C -0.277 175.791 176.094 -0.043 0.000 1.027 46 V CA -0.989 61.245 62.300 -0.110 0.000 0.855 46 V CB 1.680 33.383 31.823 -0.201 0.000 0.995 46 V HN 0.062 nan 8.190 nan 0.000 0.424 47 E N 3.094 123.280 120.200 -0.023 0.000 2.414 47 E HA 0.384 4.734 4.350 0.000 0.000 0.263 47 E C 1.197 177.787 176.600 -0.016 0.000 1.000 47 E CA 1.081 57.474 56.400 -0.011 0.000 0.914 47 E CB 0.689 30.387 29.700 -0.003 0.000 0.948 47 E HN 1.080 nan 8.360 nan 0.000 0.444 48 G N 3.826 112.618 108.800 -0.013 0.000 2.176 48 G HA2 -0.257 3.703 3.960 0.000 0.000 0.232 48 G HA3 -0.257 3.703 3.960 0.000 0.000 0.232 48 G C 0.042 174.931 174.900 -0.018 0.000 0.986 48 G CA 0.114 45.205 45.100 -0.015 0.000 0.643 48 G HN 0.583 nan 8.290 nan 0.000 0.522 49 I N 1.669 122.230 120.570 -0.015 0.000 2.468 49 I HA 0.476 4.647 4.170 0.000 0.000 0.285 49 I C -1.523 174.592 176.117 -0.004 0.000 1.039 49 I CA -0.918 60.374 61.300 -0.013 0.000 1.074 49 I CB 1.247 39.249 38.000 0.004 0.000 1.228 49 I HN -0.040 nan 8.210 nan 0.000 0.436 50 D N 7.332 127.703 120.400 -0.049 0.000 2.256 50 D HA 0.239 4.879 4.640 0.000 0.000 0.246 50 D C -0.825 175.402 176.300 -0.121 0.000 1.042 50 D CA -0.118 53.849 54.000 -0.054 0.000 0.841 50 D CB 2.310 43.058 40.800 -0.087 0.000 1.223 50 D HN 0.274 nan 8.370 nan 0.000 0.470 51 F N 1.611 121.418 119.950 -0.238 0.000 2.443 51 F HA 0.199 4.726 4.527 0.000 0.000 0.353 51 F C -0.147 175.452 175.800 -0.334 0.000 1.101 51 F CA -0.244 57.517 58.000 -0.398 0.000 1.226 51 F CB 0.794 39.457 39.000 -0.563 0.000 1.140 51 F HN -0.012 nan 8.300 nan 0.000 0.557 52 V N 7.963 127.338 119.914 -0.898 0.000 2.313 52 V HA 0.215 4.335 4.120 0.000 0.000 0.278 52 V C -0.539 175.256 176.094 -0.497 0.000 1.017 52 V CA -0.857 61.102 62.300 -0.568 0.000 0.823 52 V CB 0.996 32.413 31.823 -0.677 0.000 1.010 52 V HN 0.588 nan 8.190 nan 0.000 0.443 53 L N 6.563 127.735 121.223 -0.085 0.000 2.319 53 L HA 0.628 4.968 4.340 0.000 0.000 0.280 53 L C 0.689 177.594 176.870 0.059 0.000 1.099 53 L CA 0.864 55.772 54.840 0.114 0.000 0.828 53 L CB 1.241 43.428 42.059 0.213 0.000 1.150 53 L HN 0.864 nan 8.230 nan 0.000 0.442 54 T N 1.832 116.431 114.554 0.075 0.000 2.937 54 T HA 0.528 4.878 4.350 0.000 0.000 0.283 54 T C 0.973 175.724 174.700 0.086 0.000 1.012 54 T CA -0.804 61.337 62.100 0.069 0.000 0.997 54 T CB 1.295 70.198 68.868 0.060 0.000 1.136 54 T HN 0.526 nan 8.240 nan 0.000 0.551 55 R N -0.244 120.305 120.500 0.083 0.000 2.246 55 R HA 0.220 4.560 4.340 0.000 0.000 0.199 55 R C 0.557 176.946 176.300 0.148 0.000 0.984 55 R CA 0.569 56.724 56.100 0.092 0.000 1.015 55 R CB -0.715 29.625 30.300 0.066 0.000 0.930 55 R HN 0.789 nan 8.270 nan 0.000 0.475 56 H N -0.476 118.625 119.070 0.052 0.000 2.996 56 H HA 0.161 4.717 4.556 0.000 0.000 0.368 56 H C -0.184 175.202 175.328 0.095 0.000 1.185 56 H CA -0.264 55.830 56.048 0.077 0.000 1.160 56 H CB 1.959 31.771 29.762 0.084 0.000 1.820 56 H HN -0.219 nan 8.280 nan 0.000 0.547 57 E N 2.705 122.853 120.200 -0.087 0.000 2.204 57 E HA -0.106 4.244 4.350 0.000 0.000 0.194 57 E C 1.546 178.271 176.600 0.207 0.000 0.989 57 E CA 1.018 57.453 56.400 0.058 0.000 0.824 57 E CB -0.054 29.637 29.700 -0.015 0.000 0.756 57 E HN 0.460 nan 8.360 nan 0.000 0.477 58 F N 1.508 121.644 119.950 0.310 0.000 2.091 58 F HA -0.271 4.256 4.527 0.000 0.000 0.299 58 F C 1.989 177.835 175.800 0.076 0.000 1.103 58 F CA 1.849 59.972 58.000 0.204 0.000 1.228 58 F CB -0.741 38.383 39.000 0.208 0.000 0.984 58 F HN -0.075 nan 8.300 nan 0.000 0.477 59 T N 0.900 115.406 114.554 -0.081 0.000 2.720 59 T HA -0.196 4.154 4.350 0.000 0.000 0.268 59 T C 2.243 176.770 174.700 -0.288 0.000 1.037 59 T CA 1.583 63.515 62.100 -0.279 0.000 1.144 59 T CB -0.965 67.854 68.868 -0.082 0.000 0.864 59 T HN 0.412 nan 8.240 nan 0.000 0.444 60 A N 1.486 124.231 122.820 -0.125 0.000 1.877 60 A HA 0.088 4.408 4.320 0.000 0.000 0.216 60 A C 2.662 180.131 177.584 -0.192 0.000 1.186 60 A CA 1.944 53.924 52.037 -0.096 0.000 0.620 60 A CB -1.446 17.584 19.000 0.050 0.000 0.822 60 A HN 0.514 nan 8.150 nan 0.000 0.443 61 G N -0.715 108.002 108.800 -0.137 0.000 2.421 61 G HA2 -0.119 3.841 3.960 0.000 0.000 0.216 61 G HA3 -0.119 3.841 3.960 0.000 0.000 0.216 61 G C 1.509 176.261 174.900 -0.246 0.000 1.171 61 G CA 1.312 46.338 45.100 -0.124 0.000 0.775 61 G HN 0.337 nan 8.290 nan 0.000 0.543 62 V N 1.453 121.126 119.914 -0.402 0.000 2.427 62 V HA -0.057 4.063 4.120 0.000 0.000 0.248 62 V C 3.299 179.092 176.094 -0.502 0.000 1.051 62 V CA 1.804 63.831 62.300 -0.455 0.000 1.048 62 V CB -0.694 30.710 31.823 -0.697 0.000 0.666 62 V HN 0.476 nan 8.190 nan 0.000 0.456 63 A N 0.203 122.647 122.820 -0.626 0.000 1.908 63 A HA -0.152 4.168 4.320 0.000 0.000 0.218 63 A C 2.434 179.493 177.584 -0.876 0.000 1.181 63 A CA 2.171 53.712 52.037 -0.828 0.000 0.627 63 A CB -0.764 17.529 19.000 -1.178 0.000 0.818 63 A HN 0.561 nan 8.150 nan 0.000 0.445 64 A N 0.051 122.405 122.820 -0.777 0.000 1.877 64 A HA -0.228 4.092 4.320 0.000 0.000 0.216 64 A C 1.972 179.429 177.584 -0.211 0.000 1.186 64 A CA 1.887 53.714 52.037 -0.351 0.000 0.620 64 A CB -0.702 18.241 19.000 -0.096 0.000 0.822 64 A HN 0.679 nan 8.150 nan 0.000 0.443 65 D N 0.025 120.300 120.400 -0.209 0.000 2.116 65 D HA -0.153 4.487 4.640 0.000 0.000 0.193 65 D C 1.894 178.093 176.300 -0.168 0.000 0.998 65 D CA 2.150 56.065 54.000 -0.142 0.000 0.836 65 D CB -0.060 40.680 40.800 -0.100 0.000 0.951 65 D HN 0.227 nan 8.370 nan 0.000 0.449 66 V N 1.003 120.780 119.914 -0.229 0.000 2.379 66 V HA -0.193 3.927 4.120 0.000 0.000 0.245 66 V C 2.661 178.627 176.094 -0.213 0.000 1.044 66 V CA 1.079 63.240 62.300 -0.231 0.000 1.036 66 V CB -0.566 31.095 31.823 -0.270 0.000 0.664 66 V HN 0.215 nan 8.190 nan 0.000 0.453 67 L N 1.111 122.216 121.223 -0.197 0.000 2.042 67 L HA -0.146 4.194 4.340 0.000 0.000 0.210 67 L C 2.444 179.262 176.870 -0.086 0.000 1.076 67 L CA 2.419 57.195 54.840 -0.107 0.000 0.749 67 L CB -0.944 41.097 42.059 -0.029 0.000 0.893 67 L HN 0.242 nan 8.230 nan 0.000 0.432 68 A N -0.586 122.177 122.820 -0.094 0.000 1.902 68 A HA -0.241 4.080 4.320 0.000 0.000 0.217 68 A C 2.518 180.029 177.584 -0.122 0.000 1.181 68 A CA 1.717 53.709 52.037 -0.075 0.000 0.623 68 A CB -0.616 18.349 19.000 -0.059 0.000 0.818 68 A HN 0.518 nan 8.150 nan 0.000 0.443 69 R N -0.178 120.195 120.500 -0.212 0.000 2.070 69 R HA -0.085 4.255 4.340 0.000 0.000 0.233 69 R C 1.923 177.935 176.300 -0.481 0.000 1.137 69 R CA 1.982 57.846 56.100 -0.392 0.000 0.945 69 R CB -0.403 29.574 30.300 -0.539 0.000 0.845 69 R HN 0.533 nan 8.270 nan 0.000 0.430 70 I N 0.399 120.751 120.570 -0.365 0.000 2.286 70 I HA -0.215 3.955 4.170 0.000 0.000 0.245 70 I C 2.455 178.564 176.117 -0.013 0.000 1.104 70 I CA 1.708 62.908 61.300 -0.166 0.000 1.397 70 I CB -0.490 37.459 38.000 -0.085 0.000 1.072 70 I HN 0.426 nan 8.210 nan 0.000 0.417 71 T N -1.615 112.922 114.554 -0.027 0.000 2.951 71 T HA 0.058 4.408 4.350 0.000 0.000 0.268 71 T C 1.717 176.433 174.700 0.027 0.000 1.073 71 T CA 0.753 62.861 62.100 0.014 0.000 1.134 71 T CB -0.243 68.632 68.868 0.012 0.000 0.884 71 T HN 0.552 nan 8.240 nan 0.000 0.479 72 G N 1.744 110.550 108.800 0.011 0.000 2.153 72 G HA2 -0.254 3.706 3.960 0.000 0.000 0.252 72 G HA3 -0.254 3.706 3.960 0.000 0.000 0.252 72 G C 0.039 174.952 174.900 0.022 0.000 0.994 72 G CA 0.164 45.281 45.100 0.028 0.000 0.698 72 G HN 0.774 nan 8.290 nan 0.000 0.521 73 R N -0.265 120.243 120.500 0.014 0.000 2.740 73 R HA 0.517 4.857 4.340 0.000 0.000 0.282 73 R C -2.891 173.417 176.300 0.014 0.000 0.969 73 R CA -2.297 53.816 56.100 0.022 0.000 0.918 73 R CB 1.650 31.969 30.300 0.033 0.000 1.175 73 R HN -0.009 nan 8.270 nan 0.000 0.464 74 P HA -0.045 nan 4.420 nan 0.000 0.265 74 P C -0.769 176.547 177.300 0.027 0.000 1.193 74 P CA 0.280 63.382 63.100 0.004 0.000 0.765 74 P CB 0.658 32.344 31.700 -0.024 0.000 0.823 75 Q N 0.991 120.811 119.800 0.033 0.000 2.633 75 Q HA 0.842 5.182 4.340 0.000 0.000 0.292 75 Q C -0.932 175.122 176.000 0.090 0.000 1.089 75 Q CA -0.953 54.894 55.803 0.073 0.000 0.811 75 Q CB 2.457 31.246 28.738 0.085 0.000 1.472 75 Q HN 0.419 nan 8.270 nan 0.000 0.464 76 A N 0.207 123.114 122.820 0.145 0.000 2.486 76 A HA 0.802 5.122 4.320 0.000 0.000 0.300 76 A C -0.582 177.129 177.584 0.212 0.000 1.048 76 A CA -0.529 51.602 52.037 0.157 0.000 0.696 76 A CB 0.832 19.923 19.000 0.152 0.000 1.278 76 A HN 0.839 nan 8.150 nan 0.000 0.405 77 C N -0.358 119.064 119.300 0.204 0.000 3.080 77 C HA 0.970 5.430 4.460 0.000 0.000 0.307 77 C C -1.005 174.169 174.990 0.307 0.000 1.311 77 C CA -0.937 58.215 59.018 0.223 0.000 1.533 77 C CB 1.379 29.205 27.740 0.143 0.000 1.970 77 C HN 1.063 nan 8.230 nan 0.000 0.467 78 W N 1.175 122.541 121.300 0.111 0.000 3.129 78 W HA 0.663 5.323 4.660 0.000 0.000 0.333 78 W C -1.030 175.596 176.519 0.178 0.000 1.141 78 W CA -0.095 57.361 57.345 0.186 0.000 1.224 78 W CB 2.256 31.893 29.460 0.295 0.000 1.393 78 W HN 1.296 nan 8.180 nan 0.000 0.499 79 A N 2.565 125.285 122.820 -0.166 0.000 2.566 79 A HA 0.619 4.939 4.320 0.000 0.000 0.292 79 A C -0.698 176.832 177.584 -0.090 0.000 1.112 79 A CA -0.431 51.619 52.037 0.022 0.000 0.707 79 A CB 1.815 20.831 19.000 0.025 0.000 1.302 79 A HN 0.468 nan 8.150 nan 0.000 0.409 80 T N -0.019 114.581 114.554 0.078 0.000 2.771 80 T HA 0.523 4.874 4.350 0.000 0.000 0.290 80 T C 0.614 175.314 174.700 -0.000 0.000 1.005 80 T CA -0.051 62.094 62.100 0.074 0.000 0.944 80 T CB -0.229 68.708 68.868 0.115 0.000 1.147 80 T HN 0.907 nan 8.240 nan 0.000 0.534 81 L N 0.057 121.280 121.223 0.000 0.000 2.474 81 L HA 0.590 4.930 4.340 0.000 0.000 0.259 81 L C 1.604 178.454 176.870 -0.034 0.000 1.232 81 L CA -0.422 54.404 54.840 -0.023 0.000 0.821 81 L CB -1.091 40.948 42.059 -0.033 0.000 1.108 81 L HN 0.905 nan 8.230 nan 0.000 0.495 82 G N 1.015 109.791 108.800 -0.039 0.000 2.646 82 G HA2 -0.317 3.643 3.960 0.000 0.000 0.324 82 G HA3 -0.317 3.643 3.960 0.000 0.000 0.324 82 G C -1.015 173.861 174.900 -0.040 0.000 1.195 82 G CA 0.408 45.478 45.100 -0.051 0.000 0.976 82 G HN 0.771 nan 8.290 nan 0.000 0.546 83 P HA 0.028 nan 4.420 nan 0.000 0.226 83 P C 1.881 179.161 177.300 -0.033 0.000 1.153 83 P CA 2.236 65.318 63.100 -0.031 0.000 0.777 83 P CB -0.595 31.089 31.700 -0.026 0.000 0.794 84 G N 0.795 109.579 108.800 -0.026 0.000 2.433 84 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 84 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 84 G C 1.537 176.428 174.900 -0.015 0.000 1.186 84 G CA 0.912 46.002 45.100 -0.016 0.000 0.779 84 G HN 0.153 nan 8.290 nan 0.000 0.543 85 M N 2.116 121.708 119.600 -0.014 0.000 2.117 85 M HA -0.109 4.371 4.480 0.000 0.000 0.262 85 M C 2.696 178.964 176.300 -0.052 0.000 1.065 85 M CA 2.522 57.812 55.300 -0.018 0.000 1.114 85 M CB -1.188 31.413 32.600 0.001 0.000 1.361 85 M HN 0.392 nan 8.290 nan 0.000 0.408 86 T N -1.054 113.473 114.554 -0.045 0.000 2.821 86 T HA -0.096 4.254 4.350 0.000 0.000 0.267 86 T C 1.599 176.298 174.700 -0.001 0.000 1.046 86 T CA 1.550 63.627 62.100 -0.039 0.000 1.139 86 T CB -0.626 68.224 68.868 -0.031 0.000 0.871 86 T HN 0.328 nan 8.240 nan 0.000 0.454 87 N N 1.412 120.115 118.700 0.004 0.000 2.120 87 N HA 0.024 4.764 4.740 0.000 0.000 0.188 87 N C 1.705 177.282 175.510 0.112 0.000 1.024 87 N CA 0.857 53.936 53.050 0.047 0.000 0.852 87 N CB -0.754 37.650 38.487 -0.139 0.000 1.003 87 N HN 0.296 nan 8.380 nan 0.000 0.424 88 L N 1.218 122.476 121.223 0.058 0.000 2.131 88 L HA -0.115 4.225 4.340 0.000 0.000 0.210 88 L C 2.190 179.105 176.870 0.075 0.000 1.092 88 L CA 1.321 56.210 54.840 0.082 0.000 0.759 88 L CB -0.829 41.263 42.059 0.055 0.000 0.903 88 L HN 0.244 nan 8.230 nan 0.000 0.435 89 S N -2.716 112.997 115.700 0.021 0.000 2.419 89 S HA -0.198 4.272 4.470 0.000 0.000 0.235 89 S C 1.797 176.427 174.600 0.050 0.000 1.019 89 S CA 1.615 59.803 58.200 -0.019 0.000 0.982 89 S CB -0.985 62.168 63.200 -0.079 0.000 0.789 89 S HN 0.534 nan 8.310 nan 0.000 0.490 90 T N 1.390 116.022 114.554 0.130 0.000 2.904 90 T HA 0.124 4.474 4.350 0.000 0.000 0.267 90 T C 1.982 176.882 174.700 0.332 0.000 1.059 90 T CA 1.116 63.334 62.100 0.198 0.000 1.137 90 T CB -0.893 68.065 68.868 0.151 0.000 0.879 90 T HN 0.634 nan 8.240 nan 0.000 0.467 91 G N 1.423 110.417 108.800 0.323 0.000 2.402 91 G HA2 -0.096 3.864 3.960 0.000 0.000 0.216 91 G HA3 -0.096 3.864 3.960 0.000 0.000 0.216 91 G C 1.498 176.447 174.900 0.081 0.000 1.162 91 G CA 0.340 45.529 45.100 0.148 0.000 0.777 91 G HN 0.481 nan 8.290 nan 0.000 0.539 92 I N 1.358 121.967 120.570 0.065 0.000 2.226 92 I HA -0.148 4.022 4.170 0.000 0.000 0.245 92 I C 3.264 179.399 176.117 0.031 0.000 1.100 92 I CA 0.931 62.250 61.300 0.032 0.000 1.374 92 I CB -0.189 37.803 38.000 -0.013 0.000 1.057 92 I HN 0.234 nan 8.210 nan 0.000 0.413 93 A N 0.357 123.202 122.820 0.040 0.000 1.933 93 A HA -0.190 4.130 4.320 0.000 0.000 0.218 93 A C 2.374 179.988 177.584 0.051 0.000 1.175 93 A CA 2.317 54.375 52.037 0.034 0.000 0.628 93 A CB -1.023 17.995 19.000 0.031 0.000 0.814 93 A HN 0.377 nan 8.150 nan 0.000 0.444 94 T N -0.541 114.070 114.554 0.094 0.000 2.684 94 T HA -0.155 4.195 4.350 0.000 0.000 0.267 94 T C 2.296 177.027 174.700 0.052 0.000 1.036 94 T CA 1.843 64.003 62.100 0.101 0.000 1.148 94 T CB -0.354 68.621 68.868 0.179 0.000 0.863 94 T HN 0.565 nan 8.240 nan 0.000 0.436 95 S N 0.160 115.882 115.700 0.037 0.000 2.368 95 S HA -0.082 4.388 4.470 0.000 0.000 0.225 95 S C 2.171 176.778 174.600 0.012 0.000 1.030 95 S CA 1.156 59.365 58.200 0.015 0.000 0.999 95 S CB -0.554 62.653 63.200 0.011 0.000 0.844 95 S HN 0.270 nan 8.310 nan 0.000 0.459 96 V N 1.056 120.979 119.914 0.015 0.000 2.358 96 V HA 0.008 4.128 4.120 0.000 0.000 0.246 96 V C 2.190 178.286 176.094 0.002 0.000 1.047 96 V CA 1.798 64.104 62.300 0.010 0.000 1.035 96 V CB -0.302 31.527 31.823 0.009 0.000 0.658 96 V HN 0.552 nan 8.190 nan 0.000 0.452 97 L N -0.558 120.664 121.223 -0.002 0.000 2.162 97 L HA -0.007 4.333 4.340 0.000 0.000 0.205 97 L C 2.055 178.910 176.870 -0.026 0.000 1.086 97 L CA 1.330 56.160 54.840 -0.016 0.000 0.778 97 L CB -0.374 41.672 42.059 -0.023 0.000 0.928 97 L HN 0.306 nan 8.230 nan 0.000 0.446 98 D N -0.165 120.224 120.400 -0.017 0.000 2.333 98 D HA 0.009 4.649 4.640 0.000 0.000 0.208 98 D C -0.193 176.099 176.300 -0.012 0.000 0.984 98 D CA 0.214 54.202 54.000 -0.021 0.000 0.873 98 D CB 0.272 41.064 40.800 -0.012 0.000 0.935 98 D HN -0.018 nan 8.370 nan 0.000 0.521 99 R N 0.258 120.753 120.500 -0.009 0.000 2.093 99 R HA -0.079 4.261 4.340 0.000 0.000 0.372 99 R C -0.777 175.513 176.300 -0.015 0.000 1.105 99 R CA 0.125 56.221 56.100 -0.006 0.000 0.794 99 R CB -3.057 27.242 30.300 -0.001 0.000 2.512 99 R HN 0.317 nan 8.270 nan 0.000 0.483 100 S N 0.252 115.941 115.700 -0.018 0.000 2.533 100 S HA 0.689 5.159 4.470 0.000 0.000 0.271 100 S C -2.897 171.691 174.600 -0.020 0.000 1.143 100 S CA -1.535 56.645 58.200 -0.034 0.000 0.891 100 S CB 3.537 66.702 63.200 -0.059 0.000 1.105 100 S HN 0.194 nan 8.310 nan 0.000 0.468 101 P HA 0.282 nan 4.420 nan 0.000 0.260 101 P C -0.757 176.536 177.300 -0.011 0.000 1.651 101 P CA -0.145 62.946 63.100 -0.016 0.000 1.139 101 P CB 0.189 31.877 31.700 -0.019 0.000 1.756 102 V N 5.470 125.385 119.914 0.002 0.000 2.435 102 V HA 0.303 4.423 4.120 0.000 0.000 0.290 102 V C 0.581 176.698 176.094 0.039 0.000 1.030 102 V CA -0.764 61.547 62.300 0.019 0.000 0.881 102 V CB 2.030 33.862 31.823 0.016 0.000 0.983 102 V HN 0.297 nan 8.190 nan 0.000 0.445 103 I N 4.367 124.966 120.570 0.048 0.000 2.297 103 I HA 0.531 4.701 4.170 0.000 0.000 0.291 103 I C 0.502 176.681 176.117 0.103 0.000 1.033 103 I CA -0.267 61.070 61.300 0.062 0.000 1.253 103 I CB 0.934 38.954 38.000 0.034 0.000 1.396 103 I HN 0.666 nan 8.210 nan 0.000 0.476 104 A N 8.302 131.203 122.820 0.135 0.000 2.288 104 A HA 0.841 5.161 4.320 0.000 0.000 0.320 104 A C -0.520 177.128 177.584 0.107 0.000 1.217 104 A CA -0.473 51.671 52.037 0.179 0.000 0.840 104 A CB 0.809 19.966 19.000 0.262 0.000 1.179 104 A HN 0.681 nan 8.150 nan 0.000 0.504 105 L N 1.921 123.146 121.223 0.003 0.000 2.362 105 L HA 0.814 5.154 4.340 0.000 0.000 0.275 105 L C 0.119 176.686 176.870 -0.504 0.000 0.998 105 L CA -0.439 54.226 54.840 -0.292 0.000 0.820 105 L CB 2.147 44.093 42.059 -0.188 0.000 1.270 105 L HN 0.792 nan 8.230 nan 0.000 0.415 106 A N 1.995 124.481 122.820 -0.557 0.000 2.455 106 A HA 0.887 5.207 4.320 0.000 0.000 0.300 106 A C -0.414 176.916 177.584 -0.423 0.000 1.040 106 A CA -0.418 51.349 52.037 -0.450 0.000 0.697 106 A CB 1.608 20.631 19.000 0.039 0.000 1.265 106 A HN 0.778 nan 8.150 nan 0.000 0.407 107 A N 0.793 123.403 122.820 -0.350 0.000 2.386 107 A HA 0.601 4.921 4.320 0.000 0.000 0.246 107 A C 0.163 177.698 177.584 -0.082 0.000 1.089 107 A CA 0.326 52.276 52.037 -0.145 0.000 0.790 107 A CB 0.469 19.478 19.000 0.015 0.000 1.042 107 A HN 1.242 nan 8.150 nan 0.000 0.497 108 Q N -0.377 119.389 119.800 -0.058 0.000 2.511 108 Q HA 0.509 4.849 4.340 0.000 0.000 0.289 108 Q C -0.523 175.447 176.000 -0.051 0.000 1.021 108 Q CA -0.309 55.463 55.803 -0.051 0.000 0.785 108 Q CB 1.601 30.302 28.738 -0.063 0.000 1.472 108 Q HN 0.752 nan 8.270 nan 0.000 0.411 109 S N 1.634 117.297 115.700 -0.061 0.000 2.559 109 S HA 0.039 4.509 4.470 0.000 0.000 0.282 109 S C -0.582 173.943 174.600 -0.124 0.000 1.336 109 S CA -0.045 58.109 58.200 -0.076 0.000 1.037 109 S CB 0.033 63.185 63.200 -0.081 0.000 0.853 109 S HN 0.550 nan 8.310 nan 0.000 0.523 110 E N 1.779 121.883 120.200 -0.160 0.000 2.608 110 E HA -0.035 4.315 4.350 0.000 0.000 0.259 110 E C 1.380 177.756 176.600 -0.374 0.000 0.951 110 E CA 0.535 56.776 56.400 -0.265 0.000 0.945 110 E CB 0.271 29.731 29.700 -0.400 0.000 0.916 110 E HN 0.642 nan 8.360 nan 0.000 0.477 111 S N 3.749 119.310 115.700 -0.232 0.000 2.380 111 S HA -0.335 4.135 4.470 0.000 0.000 0.229 111 S C 1.694 176.171 174.600 -0.205 0.000 1.043 111 S CA 1.864 59.965 58.200 -0.166 0.000 1.038 111 S CB -0.646 62.522 63.200 -0.054 0.000 0.872 111 S HN 0.796 nan 8.310 nan 0.000 0.456 112 H N -0.367 118.653 119.070 -0.082 0.000 2.559 112 H HA 0.190 4.746 4.556 0.000 0.000 0.273 112 H C 0.552 175.793 175.328 -0.144 0.000 1.000 112 H CA 1.183 57.178 56.048 -0.089 0.000 1.195 112 H CB -0.355 29.396 29.762 -0.019 0.000 1.368 112 H HN 0.481 nan 8.280 nan 0.000 0.592 113 D N 0.696 120.816 120.400 -0.466 0.000 2.538 113 D HA 0.205 4.845 4.640 0.000 0.000 0.231 113 D C -0.139 175.934 176.300 -0.378 0.000 1.229 113 D CA -0.333 53.507 54.000 -0.268 0.000 0.828 113 D CB -0.173 40.527 40.800 -0.166 0.000 1.035 113 D HN 0.286 nan 8.370 nan 0.000 0.495 114 I N 1.514 121.750 120.570 -0.557 0.000 2.329 114 I HA 0.132 4.302 4.170 0.000 0.000 0.295 114 I C -0.577 175.151 176.117 -0.647 0.000 1.109 114 I CA 0.024 61.069 61.300 -0.425 0.000 1.297 114 I CB -0.033 37.799 38.000 -0.280 0.000 1.433 114 I HN -0.105 nan 8.210 nan 0.000 0.509 115 F N 7.237 127.179 119.950 -0.013 0.000 2.691 115 F HA 0.390 4.917 4.527 0.000 0.000 0.371 115 F C -2.311 173.486 175.800 -0.005 0.000 1.159 115 F CA -2.752 55.246 58.000 -0.003 0.000 1.174 115 F CB 0.736 39.739 39.000 0.006 0.000 1.419 115 F HN 0.237 nan 8.300 nan 0.000 0.514 116 P HA 0.082 nan 4.420 nan 0.000 0.264 116 P C 0.108 177.450 177.300 0.070 0.000 1.193 116 P CA 0.657 63.793 63.100 0.060 0.000 0.763 116 P CB 0.424 32.142 31.700 0.030 0.000 0.810 117 N N 1.024 119.752 118.700 0.048 0.000 2.909 117 N HA -0.165 4.575 4.740 0.000 0.000 0.242 117 N C 0.162 175.703 175.510 0.052 0.000 0.975 117 N CA 1.294 54.368 53.050 0.039 0.000 0.921 117 N CB -1.455 37.049 38.487 0.029 0.000 1.112 117 N HN 0.522 nan 8.380 nan 0.000 0.581 118 D N -1.000 119.449 120.400 0.082 0.000 2.871 118 D HA 0.076 4.716 4.640 0.000 0.000 0.291 118 D C 0.152 176.514 176.300 0.104 0.000 1.150 118 D CA 0.632 54.678 54.000 0.077 0.000 0.999 118 D CB 0.022 40.860 40.800 0.062 0.000 1.452 118 D HN 0.029 nan 8.370 nan 0.000 0.465 119 T N 1.182 115.833 114.554 0.161 0.000 2.916 119 T HA 0.021 4.371 4.350 0.000 0.000 0.303 119 T C 0.186 174.964 174.700 0.129 0.000 1.025 119 T CA -0.001 62.200 62.100 0.168 0.000 1.142 119 T CB 0.565 69.545 68.868 0.188 0.000 0.947 119 T HN 0.093 nan 8.240 nan 0.000 0.544 120 H N 3.015 122.116 119.070 0.052 0.000 3.167 120 H HA -0.059 4.497 4.556 0.000 0.000 0.306 120 H C 1.130 176.477 175.328 0.031 0.000 0.965 120 H CA 1.146 57.216 56.048 0.036 0.000 1.408 120 H CB -0.086 29.695 29.762 0.033 0.000 1.406 120 H HN 0.786 nan 8.280 nan 0.000 0.576 121 Q N 1.281 120.817 119.800 -0.439 0.000 2.406 121 Q HA -0.284 4.056 4.340 0.000 0.000 0.236 121 Q C -0.319 175.595 176.000 -0.145 0.000 0.799 121 Q CA 1.156 56.751 55.803 -0.347 0.000 1.286 121 Q CB -1.769 26.683 28.738 -0.477 0.000 1.615 121 Q HN 0.624 nan 8.270 nan 0.000 0.621 122 C N 1.420 120.676 119.300 -0.072 0.000 2.246 122 C HA 0.639 5.099 4.460 0.000 0.000 0.329 122 C C 0.264 175.244 174.990 -0.016 0.000 1.221 122 C CA -0.484 58.515 59.018 -0.032 0.000 1.697 122 C CB -0.466 27.275 27.740 0.001 0.000 2.312 122 C HN 0.323 nan 8.230 nan 0.000 0.509 123 L N 4.381 125.591 121.223 -0.022 0.000 2.319 123 L HA 0.444 4.784 4.340 0.000 0.000 0.267 123 L C 0.022 176.885 176.870 -0.012 0.000 1.011 123 L CA -0.530 54.300 54.840 -0.016 0.000 0.818 123 L CB 1.314 43.357 42.059 -0.026 0.000 1.316 123 L HN 0.482 nan 8.230 nan 0.000 0.432 124 D N 0.312 120.705 120.400 -0.011 0.000 2.551 124 D HA 0.073 4.713 4.640 0.000 0.000 0.223 124 D C 0.941 177.234 176.300 -0.011 0.000 1.144 124 D CA 0.155 54.149 54.000 -0.010 0.000 1.025 124 D CB 0.595 41.389 40.800 -0.010 0.000 1.085 124 D HN 0.448 nan 8.370 nan 0.000 0.506 125 S N 0.726 116.435 115.700 0.015 0.000 2.365 125 S HA -0.165 4.305 4.470 0.000 0.000 0.225 125 S C 2.169 176.780 174.600 0.017 0.000 1.039 125 S CA 0.846 59.062 58.200 0.026 0.000 1.033 125 S CB -0.027 63.294 63.200 0.202 0.000 0.887 125 S HN 0.425 nan 8.310 nan 0.000 0.447 126 V N 1.968 121.953 119.914 0.118 0.000 2.343 126 V HA -0.193 3.927 4.120 0.000 0.000 0.247 126 V C 2.677 178.766 176.094 -0.009 0.000 1.051 126 V CA 1.687 64.050 62.300 0.105 0.000 1.036 126 V CB -1.236 30.628 31.823 0.069 0.000 0.654 126 V HN 0.567 nan 8.190 nan 0.000 0.451 127 A N -0.288 122.519 122.820 -0.022 0.000 1.930 127 A HA -0.134 4.186 4.320 0.000 0.000 0.217 127 A C 2.151 179.699 177.584 -0.060 0.000 1.175 127 A CA 1.721 53.736 52.037 -0.037 0.000 0.627 127 A CB -0.498 18.485 19.000 -0.027 0.000 0.815 127 A HN 0.522 nan 8.150 nan 0.000 0.443 128 I N -0.780 119.740 120.570 -0.084 0.000 2.353 128 I HA -0.151 4.019 4.170 0.000 0.000 0.248 128 I C 1.997 178.019 176.117 -0.158 0.000 1.119 128 I CA 0.907 62.141 61.300 -0.111 0.000 1.417 128 I CB 0.025 37.954 38.000 -0.118 0.000 1.078 128 I HN 0.147 nan 8.210 nan 0.000 0.421 129 V N 0.252 120.024 119.914 -0.236 0.000 3.125 129 V HA 0.069 4.189 4.120 0.000 0.000 0.249 129 V C 2.538 178.535 176.094 -0.161 0.000 1.113 129 V CA 1.070 63.183 62.300 -0.313 0.000 1.106 129 V CB -0.261 31.095 31.823 -0.778 0.000 0.768 129 V HN 0.380 nan 8.190 nan 0.000 0.468 130 A N 1.282 124.044 122.820 -0.097 0.000 1.927 130 A HA -0.175 4.145 4.320 0.000 0.000 0.220 130 A C 0.457 178.019 177.584 -0.037 0.000 1.185 130 A CA 2.323 54.332 52.037 -0.046 0.000 0.639 130 A CB -1.904 17.073 19.000 -0.039 0.000 0.820 130 A HN 0.547 nan 8.150 nan 0.000 0.451 131 P HA -0.077 nan 4.420 nan 0.000 0.225 131 P C 1.019 178.303 177.300 -0.027 0.000 1.148 131 P CA 1.345 64.426 63.100 -0.032 0.000 0.779 131 P CB -0.122 31.557 31.700 -0.035 0.000 0.780 132 M N -3.110 116.467 119.600 -0.039 0.000 2.685 132 M HA 0.392 4.872 4.480 0.000 0.000 0.355 132 M C -0.371 175.920 176.300 -0.015 0.000 1.197 132 M CA -0.416 54.867 55.300 -0.029 0.000 0.947 132 M CB 0.587 33.160 32.600 -0.044 0.000 1.346 132 M HN -0.264 nan 8.290 nan 0.000 0.516 133 S N -1.343 114.359 115.700 0.003 0.000 2.607 133 S HA 0.577 5.047 4.470 0.000 0.000 0.273 133 S C 0.209 174.846 174.600 0.062 0.000 1.148 133 S CA -0.972 57.251 58.200 0.039 0.000 0.833 133 S CB 1.654 64.890 63.200 0.060 0.000 1.130 133 S HN 0.175 nan 8.310 nan 0.000 0.470 134 K N -0.286 120.171 120.400 0.095 0.000 2.305 134 K HA 0.211 4.531 4.320 0.000 0.000 0.199 134 K C -0.514 176.201 176.600 0.192 0.000 1.047 134 K CA 0.909 57.262 56.287 0.109 0.000 0.976 134 K CB -0.383 32.171 32.500 0.090 0.000 0.765 134 K HN 0.731 nan 8.250 nan 0.000 0.474 135 Y N -0.913 119.409 120.300 0.036 0.000 2.457 135 Y HA 0.406 4.956 4.550 0.000 0.000 0.322 135 Y C -2.134 173.815 175.900 0.083 0.000 1.218 135 Y CA -1.059 57.065 58.100 0.040 0.000 1.116 135 Y CB 1.268 39.742 38.460 0.022 0.000 1.335 135 Y HN -0.056 nan 8.280 nan 0.000 0.452 136 A N 4.763 127.368 122.820 -0.359 0.000 2.488 136 A HA 0.795 5.115 4.320 0.000 0.000 0.295 136 A C -2.234 175.144 177.584 -0.344 0.000 1.045 136 A CA -0.359 51.589 52.037 -0.148 0.000 0.703 136 A CB 1.538 20.594 19.000 0.093 0.000 1.271 136 A HN 1.309 nan 8.150 nan 0.000 0.400 137 V N 1.367 121.120 119.914 -0.268 0.000 3.120 137 V HA 0.669 4.789 4.120 0.000 0.000 0.303 137 V C -1.183 174.803 176.094 -0.181 0.000 1.238 137 V CA -0.459 61.685 62.300 -0.259 0.000 1.008 137 V CB 2.063 33.687 31.823 -0.333 0.000 1.064 137 V HN 1.043 nan 8.190 nan 0.000 0.434 138 E N 3.740 123.861 120.200 -0.131 0.000 2.158 138 E HA 0.456 4.806 4.350 0.000 0.000 0.271 138 E C -1.094 175.444 176.600 -0.102 0.000 0.911 138 E CA -0.860 55.466 56.400 -0.123 0.000 0.767 138 E CB 1.818 31.468 29.700 -0.085 0.000 1.120 138 E HN 0.685 nan 8.360 nan 0.000 0.405 139 L N 4.228 125.387 121.223 -0.106 0.000 2.540 139 L HA -0.036 4.304 4.340 0.000 0.000 0.276 139 L C 0.393 177.224 176.870 -0.064 0.000 1.212 139 L CA 1.257 56.050 54.840 -0.079 0.000 0.893 139 L CB 0.552 42.568 42.059 -0.072 0.000 1.138 139 L HN 0.780 nan 8.230 nan 0.000 0.491 140 Q N 3.338 123.104 119.800 -0.057 0.000 2.384 140 Q HA 0.308 4.648 4.340 0.000 0.000 0.264 140 Q C -0.195 175.790 176.000 -0.026 0.000 0.825 140 Q CA 0.016 55.794 55.803 -0.041 0.000 0.984 140 Q CB 0.852 29.568 28.738 -0.038 0.000 1.183 140 Q HN 0.579 nan 8.270 nan 0.000 0.537 141 R N 0.693 121.164 120.500 -0.047 0.000 2.435 141 R HA 0.244 4.584 4.340 0.000 0.000 0.308 141 R C -2.239 174.021 176.300 -0.066 0.000 0.975 141 R CA -1.800 54.284 56.100 -0.026 0.000 0.867 141 R CB 1.484 31.771 30.300 -0.022 0.000 1.171 141 R HN -0.103 nan 8.270 nan 0.000 0.470 142 P HA -0.284 nan 4.420 nan 0.000 0.218 142 P C 0.939 178.250 177.300 0.018 0.000 1.154 142 P CA 1.448 64.563 63.100 0.026 0.000 0.872 142 P CB 0.026 31.766 31.700 0.065 0.000 0.790 143 H N -0.522 118.559 119.070 0.018 0.000 2.521 143 H HA 0.036 4.592 4.556 0.000 0.000 0.286 143 H C 1.122 176.465 175.328 0.026 0.000 1.034 143 H CA 0.978 57.040 56.048 0.022 0.000 1.278 143 H CB -0.686 29.086 29.762 0.017 0.000 1.386 143 H HN 0.243 nan 8.280 nan 0.000 0.567 144 E N 0.276 120.156 120.200 -0.535 0.000 2.482 144 E HA -0.022 4.328 4.350 0.000 0.000 0.196 144 E C 1.760 178.288 176.600 -0.120 0.000 1.047 144 E CA 0.095 56.282 56.400 -0.355 0.000 0.869 144 E CB 0.030 29.513 29.700 -0.362 0.000 0.836 144 E HN 0.283 nan 8.360 nan 0.000 0.520 145 I N 1.195 121.723 120.570 -0.069 0.000 2.335 145 I HA -0.279 3.891 4.170 0.000 0.000 0.251 145 I C 1.919 178.046 176.117 0.015 0.000 1.129 145 I CA 1.606 62.898 61.300 -0.013 0.000 1.402 145 I CB -0.317 37.690 38.000 0.012 0.000 1.069 145 I HN -0.005 nan 8.210 nan 0.000 0.424 146 T N 0.704 115.274 114.554 0.026 0.000 2.652 146 T HA -0.212 4.138 4.350 0.000 0.000 0.267 146 T C 1.428 176.153 174.700 0.043 0.000 1.039 146 T CA 1.868 63.996 62.100 0.048 0.000 1.153 146 T CB -0.612 68.291 68.868 0.058 0.000 0.863 146 T HN 0.698 nan 8.240 nan 0.000 0.428 147 D N 1.150 121.563 120.400 0.022 0.000 2.224 147 D HA -0.033 4.607 4.640 0.000 0.000 0.205 147 D C 2.005 178.311 176.300 0.010 0.000 0.965 147 D CA 0.625 54.636 54.000 0.019 0.000 0.852 147 D CB -0.655 40.155 40.800 0.016 0.000 0.947 147 D HN 0.329 nan 8.370 nan 0.000 0.494 148 L N 0.309 121.543 121.223 0.019 0.000 2.027 148 L HA -0.116 4.225 4.340 0.000 0.000 0.206 148 L C 2.562 179.427 176.870 -0.008 0.000 1.074 148 L CA 0.707 55.580 54.840 0.054 0.000 0.745 148 L CB -0.473 41.623 42.059 0.062 0.000 0.898 148 L HN 0.068 nan 8.230 nan 0.000 0.433 149 V N 0.123 120.033 119.914 -0.007 0.000 2.287 149 V HA -0.326 3.794 4.120 0.000 0.000 0.248 149 V C 2.174 178.192 176.094 -0.127 0.000 1.053 149 V CA 2.079 64.355 62.300 -0.040 0.000 1.027 149 V CB -0.575 31.269 31.823 0.035 0.000 0.646 149 V HN 0.442 nan 8.190 nan 0.000 0.447 150 D N -0.026 120.350 120.400 -0.040 0.000 2.123 150 D HA -0.126 4.514 4.640 0.000 0.000 0.196 150 D C 2.442 178.638 176.300 -0.173 0.000 0.992 150 D CA 1.751 55.729 54.000 -0.036 0.000 0.833 150 D CB -0.321 40.519 40.800 0.066 0.000 0.954 150 D HN 0.387 nan 8.370 nan 0.000 0.455 151 S N 0.218 115.779 115.700 -0.232 0.000 2.383 151 S HA -0.065 4.405 4.470 0.000 0.000 0.227 151 S C 2.059 176.172 174.600 -0.811 0.000 1.026 151 S CA 0.881 58.829 58.200 -0.420 0.000 0.981 151 S CB -0.122 62.872 63.200 -0.342 0.000 0.818 151 S HN 0.360 nan 8.310 nan 0.000 0.472 152 A N 1.208 123.538 122.820 -0.816 0.000 1.877 152 A HA -0.053 4.267 4.320 0.000 0.000 0.216 152 A C 2.326 179.695 177.584 -0.359 0.000 1.186 152 A CA 1.522 53.168 52.037 -0.653 0.000 0.620 152 A CB -0.925 17.929 19.000 -0.243 0.000 0.822 152 A HN 0.339 nan 8.150 nan 0.000 0.443 153 V N 0.954 120.666 119.914 -0.336 0.000 2.295 153 V HA -0.265 3.855 4.120 0.000 0.000 0.246 153 V C 2.344 178.315 176.094 -0.206 0.000 1.049 153 V CA 2.127 64.246 62.300 -0.301 0.000 1.024 153 V CB -1.034 30.461 31.823 -0.547 0.000 0.648 153 V HN 0.545 nan 8.190 nan 0.000 0.447 154 N N 0.728 119.307 118.700 -0.202 0.000 2.061 154 N HA -0.183 4.558 4.740 0.000 0.000 0.193 154 N C 1.834 177.278 175.510 -0.109 0.000 1.030 154 N CA 1.956 54.929 53.050 -0.128 0.000 0.856 154 N CB -0.552 37.864 38.487 -0.118 0.000 1.023 154 N HN 0.514 nan 8.380 nan 0.000 0.424 155 A N 0.541 123.269 122.820 -0.153 0.000 1.929 155 A HA 0.186 4.506 4.320 0.000 0.000 0.216 155 A C 2.320 179.882 177.584 -0.037 0.000 1.176 155 A CA 1.562 53.557 52.037 -0.070 0.000 0.628 155 A CB -0.684 18.296 19.000 -0.033 0.000 0.816 155 A HN 0.308 nan 8.150 nan 0.000 0.444 156 A N -1.029 121.754 122.820 -0.061 0.000 1.933 156 A HA -0.052 4.268 4.320 0.000 0.000 0.218 156 A C 1.832 179.399 177.584 -0.028 0.000 1.175 156 A CA 1.673 53.690 52.037 -0.033 0.000 0.628 156 A CB -0.341 18.631 19.000 -0.047 0.000 0.814 156 A HN 0.390 nan 8.150 nan 0.000 0.444 157 M N 0.754 120.330 119.600 -0.040 0.000 2.493 157 M HA 0.126 4.606 4.480 0.000 0.000 0.244 157 M C -0.496 175.795 176.300 -0.016 0.000 1.182 157 M CA 0.505 55.791 55.300 -0.024 0.000 0.981 157 M CB -0.652 31.932 32.600 -0.026 0.000 1.551 157 M HN 0.134 nan 8.290 nan 0.000 0.476 158 T N 1.213 115.758 114.554 -0.014 0.000 2.771 158 T HA 0.276 4.626 4.350 0.000 0.000 0.281 158 T C 0.339 175.037 174.700 -0.004 0.000 0.982 158 T CA -0.660 61.435 62.100 -0.009 0.000 0.978 158 T CB 1.849 70.713 68.868 -0.007 0.000 0.930 158 T HN 0.116 nan 8.240 nan 0.000 0.447 159 E N 3.744 123.940 120.200 -0.006 0.000 2.452 159 E HA 0.102 4.452 4.350 0.000 0.000 0.261 159 E C -2.225 174.373 176.600 -0.002 0.000 0.987 159 E CA -1.500 54.897 56.400 -0.005 0.000 0.926 159 E CB 0.214 29.907 29.700 -0.012 0.000 0.934 159 E HN 0.340 nan 8.360 nan 0.000 0.452 160 P HA 0.009 nan 4.420 nan 0.000 0.276 160 P C -0.152 177.150 177.300 0.004 0.000 1.243 160 P CA -0.360 62.741 63.100 0.002 0.000 0.768 160 P CB 0.517 32.219 31.700 0.003 0.000 0.856 161 V N 1.528 121.443 119.914 0.003 0.000 2.872 161 V HA 0.689 4.809 4.120 0.000 0.000 0.307 161 V C 0.567 176.663 176.094 0.004 0.000 1.072 161 V CA 0.493 62.795 62.300 0.002 0.000 1.148 161 V CB 0.020 31.843 31.823 0.000 0.000 0.954 161 V HN 0.829 nan 8.190 nan 0.000 0.490 162 G N 3.551 112.355 108.800 0.007 0.000 2.554 162 G HA2 0.668 4.628 3.960 0.000 0.000 0.306 162 G HA3 0.668 4.628 3.960 0.000 0.000 0.306 162 G C -3.473 171.441 174.900 0.024 0.000 1.320 162 G CA -0.661 44.448 45.100 0.014 0.000 0.800 162 G HN 0.724 nan 8.290 nan 0.000 0.481 163 P HA 0.517 nan 4.420 nan 0.000 0.286 163 P C -0.797 176.566 177.300 0.105 0.000 1.261 163 P CA -0.309 62.828 63.100 0.062 0.000 0.821 163 P CB 1.936 33.673 31.700 0.062 0.000 1.013 164 S N 1.599 117.378 115.700 0.132 0.000 2.500 164 S HA 0.603 5.073 4.470 0.000 0.000 0.301 164 S C -1.068 173.699 174.600 0.278 0.000 1.092 164 S CA -0.318 58.017 58.200 0.226 0.000 1.030 164 S CB 0.608 63.897 63.200 0.149 0.000 1.031 164 S HN 0.424 nan 8.310 nan 0.000 0.483 165 F N 3.492 123.527 119.950 0.141 0.000 2.482 165 F HA 0.704 5.231 4.527 0.000 0.000 0.331 165 F C -1.242 174.588 175.800 0.050 0.000 1.115 165 F CA -1.020 57.011 58.000 0.052 0.000 0.955 165 F CB 0.606 39.604 39.000 -0.004 0.000 1.136 165 F HN 0.436 nan 8.300 nan 0.000 0.452 166 I N 4.821 124.949 120.570 -0.737 0.000 2.418 166 I HA 0.273 4.443 4.170 0.000 0.000 0.287 166 I C -0.409 175.062 176.117 -1.077 0.000 1.008 166 I CA -0.785 60.108 61.300 -0.678 0.000 1.104 166 I CB 1.887 39.732 38.000 -0.258 0.000 1.264 166 I HN 0.535 nan 8.210 nan 0.000 0.438 167 S N 7.042 122.223 115.700 -0.866 0.000 2.499 167 S HA 0.653 5.123 4.470 0.000 0.000 0.279 167 S C -0.586 173.836 174.600 -0.297 0.000 1.219 167 S CA -0.462 57.413 58.200 -0.541 0.000 1.062 167 S CB 0.411 63.481 63.200 -0.216 0.000 0.978 167 S HN 0.482 nan 8.310 nan 0.000 0.489 168 L N 6.579 127.658 121.223 -0.240 0.000 2.384 168 L HA 0.401 4.741 4.340 0.000 0.000 0.261 168 L C -2.460 174.360 176.870 -0.083 0.000 1.024 168 L CA -2.069 52.684 54.840 -0.145 0.000 0.899 168 L CB 1.537 43.516 42.059 -0.134 0.000 1.243 168 L HN 0.446 nan 8.230 nan 0.000 0.449 169 P HA -0.058 nan 4.420 nan 0.000 0.264 169 P C 1.241 178.526 177.300 -0.024 0.000 1.193 169 P CA -0.080 62.985 63.100 -0.058 0.000 0.763 169 P CB 0.913 32.572 31.700 -0.069 0.000 0.810 170 V N 1.573 121.480 119.914 -0.012 0.000 2.490 170 V HA -0.253 3.867 4.120 0.000 0.000 0.250 170 V C 1.669 177.777 176.094 0.024 0.000 1.061 170 V CA 2.222 64.535 62.300 0.023 0.000 1.064 170 V CB -1.325 30.519 31.823 0.035 0.000 0.670 170 V HN 0.490 nan 8.190 nan 0.000 0.461 171 D N 1.215 121.625 120.400 0.016 0.000 2.117 171 D HA -0.214 4.426 4.640 0.000 0.000 0.197 171 D C 2.074 178.394 176.300 0.034 0.000 0.987 171 D CA 1.946 55.969 54.000 0.039 0.000 0.829 171 D CB -0.595 40.249 40.800 0.072 0.000 0.961 171 D HN 0.526 nan 8.370 nan 0.000 0.460 172 L N -0.484 120.751 121.223 0.021 0.000 2.109 172 L HA -0.046 4.294 4.340 0.000 0.000 0.207 172 L C 2.664 179.547 176.870 0.022 0.000 1.086 172 L CA 0.302 55.154 54.840 0.019 0.000 0.760 172 L CB -0.449 41.611 42.059 0.003 0.000 0.910 172 L HN 0.040 nan 8.230 nan 0.000 0.437 173 L N 0.619 121.856 121.223 0.024 0.000 2.079 173 L HA -0.078 4.262 4.340 0.000 0.000 0.210 173 L C 1.996 178.882 176.870 0.027 0.000 1.081 173 L CA 1.897 56.761 54.840 0.039 0.000 0.752 173 L CB -0.810 41.292 42.059 0.071 0.000 0.896 173 L HN 0.135 nan 8.230 nan 0.000 0.433 174 G N -1.547 107.266 108.800 0.022 0.000 3.314 174 G HA2 0.096 4.056 3.960 0.000 0.000 0.238 174 G HA3 0.096 4.056 3.960 0.000 0.000 0.238 174 G C 0.334 175.243 174.900 0.014 0.000 1.184 174 G CA 0.471 45.578 45.100 0.011 0.000 0.806 174 G HN 0.356 nan 8.290 nan 0.000 0.536 175 S N -0.136 115.577 115.700 0.022 0.000 2.525 175 S HA 0.449 4.919 4.470 0.000 0.000 0.290 175 S C 1.334 175.949 174.600 0.025 0.000 1.152 175 S CA 0.151 58.365 58.200 0.024 0.000 1.072 175 S CB 1.533 64.752 63.200 0.032 0.000 1.027 175 S HN 0.285 nan 8.310 nan 0.000 0.500 176 S N 2.299 118.009 115.700 0.017 0.000 2.540 176 S HA 0.208 4.678 4.470 0.000 0.000 0.218 176 S C 0.361 174.972 174.600 0.019 0.000 0.977 176 S CA -0.406 57.802 58.200 0.012 0.000 0.918 176 S CB -0.331 62.864 63.200 -0.008 0.000 0.806 176 S HN 0.846 nan 8.310 nan 0.000 0.496 177 E N 1.537 121.755 120.200 0.029 0.000 2.606 177 E HA 0.292 4.642 4.350 0.000 0.000 0.248 177 E C 1.188 177.816 176.600 0.046 0.000 1.005 177 E CA 0.865 57.283 56.400 0.030 0.000 0.946 177 E CB -0.517 29.206 29.700 0.039 0.000 0.928 177 E HN 0.585 nan 8.360 nan 0.000 0.494 178 G N 4.247 113.043 108.800 -0.007 0.000 2.184 178 G HA2 -0.292 3.668 3.960 0.000 0.000 0.264 178 G HA3 -0.292 3.668 3.960 0.000 0.000 0.264 178 G C 0.228 175.106 174.900 -0.036 0.000 0.975 178 G CA 0.248 45.299 45.100 -0.082 0.000 0.642 178 G HN 0.575 nan 8.290 nan 0.000 0.536 179 I N 1.199 121.781 120.570 0.020 0.000 2.342 179 I HA 0.442 4.612 4.170 0.000 0.000 0.291 179 I C -0.526 175.589 176.117 -0.003 0.000 1.010 179 I CA -0.450 60.871 61.300 0.035 0.000 1.308 179 I CB 1.532 39.562 38.000 0.050 0.000 1.400 179 I HN 0.024 nan 8.210 nan 0.000 0.488 180 D N 4.159 124.559 120.400 -0.000 0.000 2.358 180 D HA 0.115 4.755 4.640 0.000 0.000 0.253 180 D C 0.841 177.138 176.300 -0.004 0.000 1.288 180 D CA -0.384 53.607 54.000 -0.015 0.000 0.950 180 D CB 1.182 41.970 40.800 -0.020 0.000 1.197 180 D HN 0.592 nan 8.370 nan 0.000 0.550 181 T N -0.924 113.618 114.554 -0.019 0.000 3.148 181 T HA -0.087 4.263 4.350 0.000 0.000 0.253 181 T C 1.657 176.357 174.700 -0.000 0.000 1.134 181 T CA 1.127 63.225 62.100 -0.002 0.000 1.051 181 T CB -0.242 68.603 68.868 -0.039 0.000 0.959 181 T HN 0.320 nan 8.240 nan 0.000 0.525 182 T N -0.073 114.474 114.554 -0.012 0.000 2.995 182 T HA 0.113 4.464 4.350 0.000 0.000 0.269 182 T C 0.722 175.422 174.700 -0.000 0.000 1.091 182 T CA 0.042 62.137 62.100 -0.008 0.000 1.128 182 T CB -0.633 68.226 68.868 -0.015 0.000 0.891 182 T HN 0.255 nan 8.240 nan 0.000 0.492 183 V N 5.028 124.943 119.914 0.002 0.000 2.368 183 V HA 0.332 4.452 4.120 0.000 0.000 0.266 183 V C -1.933 174.169 176.094 0.014 0.000 1.045 183 V CA -2.179 60.125 62.300 0.006 0.000 0.899 183 V CB 0.627 32.452 31.823 0.004 0.000 1.006 183 V HN 0.397 nan 8.190 nan 0.000 0.470 184 P HA 0.085 nan 4.420 nan 0.000 0.267 184 P C -0.243 177.067 177.300 0.016 0.000 1.200 184 P CA -0.328 62.781 63.100 0.015 0.000 0.772 184 P CB 0.516 32.221 31.700 0.009 0.000 0.855 185 N N 2.683 121.394 118.700 0.017 0.000 2.407 185 N HA 0.095 4.835 4.740 0.000 0.000 0.250 185 N C -1.785 173.726 175.510 0.002 0.000 1.236 185 N CA -0.690 52.368 53.050 0.014 0.000 0.879 185 N CB -0.832 37.659 38.487 0.007 0.000 1.088 185 N HN 0.392 nan 8.380 nan 0.000 0.450 186 P HA 0.136 nan 4.420 nan 0.000 0.269 186 P C -2.453 174.834 177.300 -0.023 0.000 1.217 186 P CA -0.743 62.355 63.100 -0.002 0.000 0.783 186 P CB -0.569 31.136 31.700 0.008 0.000 0.898 187 P HA -0.016 nan 4.420 nan 0.000 0.266 187 P C 0.430 177.685 177.300 -0.075 0.000 1.193 187 P CA 0.093 63.165 63.100 -0.046 0.000 0.770 187 P CB 0.408 32.092 31.700 -0.027 0.000 0.836 188 A N 2.832 125.563 122.820 -0.147 0.000 1.898 188 A HA -0.098 4.222 4.320 0.000 0.000 0.214 188 A C 0.822 178.352 177.584 -0.091 0.000 1.183 188 A CA 0.826 52.692 52.037 -0.285 0.000 0.622 188 A CB -0.992 17.632 19.000 -0.628 0.000 0.824 188 A HN 0.629 nan 8.150 nan 0.000 0.444 189 N N 0.287 118.958 118.700 -0.048 0.000 2.727 189 N HA -0.115 4.625 4.740 0.000 0.000 0.249 189 N C -0.540 175.008 175.510 0.062 0.000 1.048 189 N CA 1.302 54.359 53.050 0.011 0.000 0.714 189 N CB -2.208 36.291 38.487 0.019 0.000 0.959 189 N HN 0.510 nan 8.380 nan 0.000 0.544 190 T N 1.601 116.209 114.554 0.090 0.000 2.867 190 T HA 0.196 4.546 4.350 0.000 0.000 0.297 190 T C -1.739 173.007 174.700 0.076 0.000 0.989 190 T CA -0.539 61.655 62.100 0.156 0.000 1.159 190 T CB 0.542 69.529 68.868 0.198 0.000 0.928 190 T HN 0.069 nan 8.240 nan 0.000 0.538 191 P HA 0.216 nan 4.420 nan 0.000 0.265 191 P C 0.437 177.758 177.300 0.034 0.000 1.193 191 P CA -0.258 62.863 63.100 0.034 0.000 0.765 191 P CB 0.451 32.163 31.700 0.021 0.000 0.823 192 A N 3.795 126.633 122.820 0.030 0.000 1.968 192 A HA -0.048 4.272 4.320 0.000 0.000 0.217 192 A C 0.864 178.466 177.584 0.030 0.000 1.169 192 A CA 1.330 53.385 52.037 0.030 0.000 0.638 192 A CB -0.490 18.526 19.000 0.027 0.000 0.812 192 A HN 0.662 nan 8.150 nan 0.000 0.446 193 K N -1.442 118.973 120.400 0.025 0.000 2.495 193 K HA 0.588 4.908 4.320 0.000 0.000 0.268 193 K C -3.468 173.142 176.600 0.017 0.000 1.008 193 K CA -2.143 54.159 56.287 0.025 0.000 0.882 193 K CB 1.046 33.562 32.500 0.026 0.000 1.443 193 K HN -0.219 nan 8.250 nan 0.000 0.447 194 P HA 0.014 nan 4.420 nan 0.000 0.268 194 P C -0.647 176.651 177.300 -0.002 0.000 1.204 194 P CA -0.476 62.627 63.100 0.005 0.000 0.768 194 P CB 0.607 32.311 31.700 0.006 0.000 0.842 195 V N 3.131 123.042 119.914 -0.005 0.000 2.655 195 V HA 0.416 4.536 4.120 0.000 0.000 0.300 195 V C 1.158 177.242 176.094 -0.016 0.000 1.044 195 V CA 0.708 63.002 62.300 -0.009 0.000 1.095 195 V CB 0.361 32.180 31.823 -0.006 0.000 0.952 195 V HN 0.804 nan 8.190 nan 0.000 0.485 196 G N 2.679 111.463 108.800 -0.027 0.000 2.714 196 G HA2 0.718 4.678 3.960 0.000 0.000 0.292 196 G HA3 0.718 4.678 3.960 0.000 0.000 0.292 196 G C -0.715 174.161 174.900 -0.041 0.000 1.308 196 G CA -0.449 44.627 45.100 -0.039 0.000 0.964 196 G HN 0.916 nan 8.290 nan 0.000 0.484 197 V N -2.158 117.728 119.914 -0.046 0.000 2.837 197 V HA 0.838 4.958 4.120 0.000 0.000 0.310 197 V C -0.371 175.679 176.094 -0.073 0.000 1.059 197 V CA -0.895 61.381 62.300 -0.041 0.000 1.004 197 V CB 1.433 33.242 31.823 -0.023 0.000 1.045 197 V HN 0.549 nan 8.190 nan 0.000 0.465 198 V N 2.372 122.256 119.914 -0.050 0.000 2.569 198 V HA 0.764 4.884 4.120 0.000 0.000 0.301 198 V C 0.367 176.483 176.094 0.037 0.000 1.044 198 V CA -0.155 62.105 62.300 -0.067 0.000 0.874 198 V CB 1.371 33.154 31.823 -0.066 0.000 1.002 198 V HN 1.397 nan 8.190 nan 0.000 0.424 199 A N 2.733 125.597 122.820 0.073 0.000 2.327 199 A HA 0.564 4.884 4.320 0.000 0.000 0.283 199 A C -0.016 177.692 177.584 0.207 0.000 1.127 199 A CA -0.282 51.822 52.037 0.113 0.000 0.810 199 A CB 0.398 19.448 19.000 0.084 0.000 1.066 199 A HN 0.953 nan 8.150 nan 0.000 0.492 200 D N 1.322 121.800 120.400 0.131 0.000 2.533 200 D HA 0.343 4.984 4.640 0.000 0.000 0.236 200 D C 1.340 177.684 176.300 0.074 0.000 1.137 200 D CA 2.067 56.127 54.000 0.101 0.000 0.867 200 D CB 0.211 41.043 40.800 0.053 0.000 1.170 200 D HN 1.294 nan 8.370 nan 0.000 0.474 201 G N 3.691 112.495 108.800 0.006 0.000 2.136 201 G HA2 -0.269 3.691 3.960 0.000 0.000 0.242 201 G HA3 -0.269 3.691 3.960 0.000 0.000 0.242 201 G C 1.043 175.917 174.900 -0.042 0.000 0.989 201 G CA 0.463 45.529 45.100 -0.057 0.000 0.682 201 G HN 0.701 nan 8.290 nan 0.000 0.522 202 W N 0.117 121.394 121.300 -0.038 0.000 2.374 202 W HA -0.089 4.571 4.660 0.000 0.000 0.288 202 W C 1.505 177.977 176.519 -0.078 0.000 1.218 202 W CA 1.421 58.739 57.345 -0.044 0.000 1.245 202 W CB -0.748 28.691 29.460 -0.036 0.000 1.126 202 W HN 0.390 nan 8.180 nan 0.000 0.545 203 Q N 1.454 120.655 119.800 -0.999 0.000 2.096 203 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 203 Q C 2.312 178.079 176.000 -0.387 0.000 0.982 203 Q CA 2.539 57.656 55.803 -1.144 0.000 0.850 203 Q CB -0.592 27.398 28.738 -1.246 0.000 0.901 203 Q HN 0.354 nan 8.270 nan 0.000 0.422 204 K N 0.166 120.436 120.400 -0.217 0.000 2.057 204 K HA -0.115 4.205 4.320 0.000 0.000 0.207 204 K C 2.017 178.633 176.600 0.027 0.000 1.049 204 K CA 1.141 57.395 56.287 -0.054 0.000 0.931 204 K CB -0.192 32.280 32.500 -0.046 0.000 0.714 204 K HN 0.216 nan 8.250 nan 0.000 0.440 205 A N 1.175 124.021 122.820 0.044 0.000 1.908 205 A HA -0.142 4.178 4.320 0.000 0.000 0.218 205 A C 2.341 180.034 177.584 0.182 0.000 1.181 205 A CA 1.986 54.083 52.037 0.100 0.000 0.627 205 A CB -0.879 18.183 19.000 0.102 0.000 0.818 205 A HN 0.492 nan 8.150 nan 0.000 0.445 206 A N -0.027 122.946 122.820 0.255 0.000 1.940 206 A HA -0.201 4.119 4.320 0.000 0.000 0.219 206 A C 1.733 179.590 177.584 0.456 0.000 1.176 206 A CA 1.966 54.286 52.037 0.473 0.000 0.631 206 A CB -0.600 18.739 19.000 0.565 0.000 0.814 206 A HN 0.477 nan 8.150 nan 0.000 0.446 207 D N -0.392 120.186 120.400 0.297 0.000 2.144 207 D HA -0.137 4.503 4.640 0.000 0.000 0.199 207 D C 2.175 178.598 176.300 0.205 0.000 0.984 207 D CA 1.385 55.525 54.000 0.233 0.000 0.834 207 D CB -0.404 40.488 40.800 0.154 0.000 0.955 207 D HN 0.639 nan 8.370 nan 0.000 0.465 208 Q N 0.195 120.101 119.800 0.177 0.000 2.119 208 Q HA -0.016 4.324 4.340 0.000 0.000 0.201 208 Q C 2.196 178.314 176.000 0.197 0.000 0.972 208 Q CA 1.207 57.099 55.803 0.149 0.000 0.847 208 Q CB -0.063 28.735 28.738 0.100 0.000 0.903 208 Q HN 0.218 nan 8.270 nan 0.000 0.433 209 A N 1.237 124.218 122.820 0.269 0.000 1.902 209 A HA -0.129 4.191 4.320 0.000 0.000 0.217 209 A C 2.315 180.197 177.584 0.497 0.000 1.181 209 A CA 1.555 53.793 52.037 0.335 0.000 0.623 209 A CB -0.764 18.440 19.000 0.340 0.000 0.818 209 A HN 0.392 nan 8.150 nan 0.000 0.443 210 A N -0.067 123.090 122.820 0.561 0.000 1.908 210 A HA 0.123 4.443 4.320 0.000 0.000 0.218 210 A C 2.506 180.312 177.584 0.370 0.000 1.181 210 A CA 2.185 54.421 52.037 0.332 0.000 0.627 210 A CB -1.028 17.978 19.000 0.009 0.000 0.818 210 A HN 1.081 nan 8.150 nan 0.000 0.445 211 A N -0.296 122.683 122.820 0.265 0.000 1.902 211 A HA -0.040 4.280 4.320 0.000 0.000 0.217 211 A C 2.153 179.820 177.584 0.137 0.000 1.181 211 A CA 1.465 53.607 52.037 0.174 0.000 0.623 211 A CB -0.589 18.481 19.000 0.115 0.000 0.818 211 A HN 0.481 nan 8.150 nan 0.000 0.443 212 L N -1.133 120.187 121.223 0.162 0.000 2.083 212 L HA -0.170 4.170 4.340 0.000 0.000 0.209 212 L C 2.558 179.515 176.870 0.145 0.000 1.083 212 L CA 1.100 56.016 54.840 0.127 0.000 0.752 212 L CB -0.508 41.624 42.059 0.122 0.000 0.899 212 L HN 0.468 nan 8.230 nan 0.000 0.433 213 L N 0.261 121.633 121.223 0.248 0.000 2.027 213 L HA -0.111 4.229 4.340 0.000 0.000 0.206 213 L C 2.684 179.661 176.870 0.178 0.000 1.074 213 L CA 1.955 56.964 54.840 0.281 0.000 0.745 213 L CB -0.740 41.592 42.059 0.454 0.000 0.898 213 L HN 0.129 nan 8.230 nan 0.000 0.433 214 A N -0.723 122.154 122.820 0.096 0.000 1.917 214 A HA -0.266 4.054 4.320 0.000 0.000 0.219 214 A C 2.155 179.632 177.584 -0.179 0.000 1.182 214 A CA 2.158 53.993 52.037 -0.338 0.000 0.633 214 A CB -0.657 17.993 19.000 -0.584 0.000 0.819 214 A HN 0.658 nan 8.150 nan 0.000 0.448 215 E N -0.479 119.678 120.200 -0.072 0.000 2.435 215 E HA 0.264 4.614 4.350 0.000 0.000 0.195 215 E C 0.721 177.300 176.600 -0.037 0.000 1.029 215 E CA 0.095 56.462 56.400 -0.055 0.000 0.865 215 E CB -0.045 29.639 29.700 -0.027 0.000 0.833 215 E HN 0.597 nan 8.360 nan 0.000 0.510 216 A N 1.583 124.398 122.820 -0.009 0.000 2.401 216 A HA 0.095 4.415 4.320 0.000 0.000 0.259 216 A C 0.976 178.530 177.584 -0.050 0.000 1.103 216 A CA -0.151 51.881 52.037 -0.007 0.000 0.789 216 A CB 0.822 19.846 19.000 0.040 0.000 1.035 216 A HN 0.031 nan 8.150 nan 0.000 0.491 217 K N 0.468 120.799 120.400 -0.114 0.000 2.067 217 K HA -0.016 4.304 4.320 0.000 0.000 0.203 217 K C -0.276 176.130 176.600 -0.323 0.000 1.048 217 K CA 0.878 56.999 56.287 -0.277 0.000 0.954 217 K CB 0.019 32.271 32.500 -0.412 0.000 0.737 217 K HN 0.821 nan 8.250 nan 0.000 0.444 218 H N 1.040 120.113 119.070 0.004 0.000 2.448 218 H HA 0.319 4.875 4.556 0.000 0.000 0.237 218 H C -2.588 172.722 175.328 -0.029 0.000 1.391 218 H CA -2.648 53.392 56.048 -0.014 0.000 1.477 218 H CB 1.175 30.874 29.762 -0.105 0.000 1.520 218 H HN 0.243 nan 8.280 nan 0.000 0.502 219 P HA 0.174 nan 4.420 nan 0.000 0.281 219 P C -0.020 177.311 177.300 0.051 0.000 1.249 219 P CA -0.531 62.614 63.100 0.075 0.000 0.810 219 P CB 2.204 33.964 31.700 0.099 0.000 1.008 220 V N -0.050 119.875 119.914 0.018 0.000 2.823 220 V HA 0.567 4.688 4.120 0.000 0.000 0.312 220 V C -0.647 175.433 176.094 -0.024 0.000 1.072 220 V CA -1.159 61.135 62.300 -0.011 0.000 0.937 220 V CB 1.812 33.645 31.823 0.016 0.000 1.013 220 V HN 0.264 nan 8.190 nan 0.000 0.430 221 L N 3.639 124.843 121.223 -0.031 0.000 2.257 221 L HA 0.582 4.922 4.340 0.000 0.000 0.290 221 L C -0.552 176.310 176.870 -0.013 0.000 1.044 221 L CA -0.669 54.157 54.840 -0.025 0.000 0.810 221 L CB 1.709 43.764 42.059 -0.007 0.000 1.193 221 L HN 0.554 nan 8.230 nan 0.000 0.425 222 V N 5.116 125.017 119.914 -0.022 0.000 2.311 222 V HA 0.280 4.400 4.120 0.000 0.000 0.275 222 V C 0.129 176.247 176.094 0.040 0.000 1.022 222 V CA -0.522 61.796 62.300 0.031 0.000 0.830 222 V CB 1.713 33.543 31.823 0.012 0.000 1.012 222 V HN 0.404 nan 8.190 nan 0.000 0.452 223 V N 4.568 124.512 119.914 0.049 0.000 2.394 223 V HA 0.765 4.885 4.120 0.000 0.000 0.282 223 V C 0.812 176.934 176.094 0.047 0.000 1.031 223 V CA -0.160 62.161 62.300 0.035 0.000 0.881 223 V CB 1.583 33.413 31.823 0.011 0.000 0.982 223 V HN 0.875 nan 8.190 nan 0.000 0.451 224 G N 2.259 111.081 108.800 0.038 0.000 2.509 224 G HA2 0.561 4.521 3.960 0.000 0.000 0.328 224 G HA3 0.561 4.521 3.960 0.000 0.000 0.328 224 G C 0.856 175.769 174.900 0.021 0.000 1.194 224 G CA -0.016 45.099 45.100 0.024 0.000 0.967 224 G HN 0.910 nan 8.290 nan 0.000 0.488 225 A N 0.009 122.856 122.820 0.045 0.000 2.019 225 A HA 0.158 4.478 4.320 0.000 0.000 0.219 225 A C 2.660 180.296 177.584 0.085 0.000 1.164 225 A CA 2.342 54.435 52.037 0.093 0.000 0.644 225 A CB -0.702 18.431 19.000 0.221 0.000 0.805 225 A HN 1.405 nan 8.150 nan 0.000 0.449 226 A N -0.041 122.808 122.820 0.048 0.000 1.986 226 A HA 0.033 4.353 4.320 0.000 0.000 0.220 226 A C 2.428 180.027 177.584 0.025 0.000 1.171 226 A CA 2.211 54.268 52.037 0.033 0.000 0.640 226 A CB -0.864 18.140 19.000 0.007 0.000 0.811 226 A HN 1.107 nan 8.150 nan 0.000 0.451 227 A N -0.383 122.445 122.820 0.014 0.000 1.968 227 A HA 0.047 4.367 4.320 0.000 0.000 0.217 227 A C 2.054 179.636 177.584 -0.003 0.000 1.169 227 A CA 1.279 53.319 52.037 0.005 0.000 0.638 227 A CB -0.504 18.497 19.000 0.002 0.000 0.812 227 A HN 0.517 nan 8.150 nan 0.000 0.446 228 I N -0.790 119.768 120.570 -0.021 0.000 2.252 228 I HA -0.231 3.939 4.170 0.000 0.000 0.245 228 I C 2.637 178.782 176.117 0.047 0.000 1.102 228 I CA 1.084 62.353 61.300 -0.051 0.000 1.385 228 I CB -0.368 37.485 38.000 -0.245 0.000 1.064 228 I HN 0.240 nan 8.210 nan 0.000 0.414 229 R N 0.138 120.700 120.500 0.102 0.000 2.127 229 R HA -0.145 4.195 4.340 0.000 0.000 0.238 229 R C 2.444 178.779 176.300 0.058 0.000 1.134 229 R CA 1.548 57.712 56.100 0.107 0.000 0.975 229 R CB -0.488 29.869 30.300 0.095 0.000 0.865 229 R HN 0.251 nan 8.270 nan 0.000 0.447 230 S N -0.480 115.242 115.700 0.036 0.000 2.481 230 S HA -0.011 4.459 4.470 0.000 0.000 0.231 230 S C 1.150 175.763 174.600 0.022 0.000 0.996 230 S CA 0.919 59.131 58.200 0.020 0.000 0.942 230 S CB -0.061 63.144 63.200 0.008 0.000 0.768 230 S HN 0.644 nan 8.310 nan 0.000 0.520 231 G N 0.168 108.983 108.800 0.025 0.000 2.182 231 G HA2 -0.170 3.790 3.960 0.000 0.000 0.248 231 G HA3 -0.170 3.790 3.960 0.000 0.000 0.248 231 G C 0.418 175.326 174.900 0.013 0.000 1.042 231 G CA 0.210 45.322 45.100 0.020 0.000 0.775 231 G HN 0.938 nan 8.290 nan 0.000 0.501 232 A N -0.902 121.924 122.820 0.010 0.000 2.387 232 A HA 0.641 4.961 4.320 0.000 0.000 0.234 232 A C 2.157 179.743 177.584 0.003 0.000 1.253 232 A CA 1.319 53.365 52.037 0.015 0.000 0.894 232 A CB 0.183 19.202 19.000 0.032 0.000 0.963 232 A HN 0.923 nan 8.150 nan 0.000 0.508 233 V N 1.134 121.039 119.914 -0.016 0.000 2.233 233 V HA -0.169 3.951 4.120 0.000 0.000 0.247 233 V C -0.081 175.999 176.094 -0.023 0.000 1.050 233 V CA 2.684 64.965 62.300 -0.033 0.000 1.010 233 V CB -1.412 30.375 31.823 -0.060 0.000 0.637 233 V HN 0.378 nan 8.190 nan 0.000 0.444 234 P HA -0.147 nan 4.420 nan 0.000 0.216 234 P C 1.635 178.935 177.300 0.001 0.000 1.150 234 P CA 2.009 65.106 63.100 -0.005 0.000 0.837 234 P CB -0.155 31.547 31.700 0.003 0.000 0.786 235 A N -0.764 122.060 122.820 0.006 0.000 1.898 235 A HA -0.145 4.175 4.320 0.000 0.000 0.216 235 A C 2.211 179.806 177.584 0.017 0.000 1.181 235 A CA 1.279 53.324 52.037 0.013 0.000 0.620 235 A CB -1.535 17.476 19.000 0.018 0.000 0.819 235 A HN 0.101 nan 8.150 nan 0.000 0.442 236 I N -0.868 119.712 120.570 0.018 0.000 2.226 236 I HA -0.259 3.911 4.170 0.000 0.000 0.245 236 I C 2.704 178.822 176.117 0.003 0.000 1.100 236 I CA 1.710 63.023 61.300 0.022 0.000 1.374 236 I CB -0.296 37.713 38.000 0.015 0.000 1.057 236 I HN 0.404 nan 8.210 nan 0.000 0.413 237 R N 1.404 121.893 120.500 -0.020 0.000 2.073 237 R HA -0.181 4.159 4.340 0.000 0.000 0.234 237 R C 2.368 178.669 176.300 0.001 0.000 1.134 237 R CA 1.733 57.808 56.100 -0.041 0.000 0.952 237 R CB -0.303 29.962 30.300 -0.058 0.000 0.850 237 R HN 0.325 nan 8.270 nan 0.000 0.433 238 A N 0.984 123.811 122.820 0.013 0.000 1.972 238 A HA -0.141 4.179 4.320 0.000 0.000 0.219 238 A C 2.040 179.639 177.584 0.024 0.000 1.169 238 A CA 1.252 53.303 52.037 0.023 0.000 0.635 238 A CB -0.530 18.479 19.000 0.014 0.000 0.810 238 A HN 0.426 nan 8.150 nan 0.000 0.446 239 L N -0.447 120.792 121.223 0.027 0.000 2.027 239 L HA 0.021 4.361 4.340 0.000 0.000 0.206 239 L C 2.637 179.539 176.870 0.053 0.000 1.074 239 L CA 2.154 57.017 54.840 0.040 0.000 0.745 239 L CB -0.658 41.446 42.059 0.075 0.000 0.898 239 L HN 0.297 nan 8.230 nan 0.000 0.433 240 A N -0.874 121.975 122.820 0.049 0.000 1.898 240 A HA -0.195 4.125 4.320 0.000 0.000 0.216 240 A C 2.176 179.800 177.584 0.067 0.000 1.181 240 A CA 1.691 53.757 52.037 0.049 0.000 0.620 240 A CB -0.612 18.396 19.000 0.013 0.000 0.819 240 A HN 0.594 nan 8.150 nan 0.000 0.442 241 E N -0.826 119.420 120.200 0.077 0.000 2.077 241 E HA -0.201 4.149 4.350 0.000 0.000 0.193 241 E C 2.316 178.959 176.600 0.072 0.000 0.989 241 E CA 1.224 57.687 56.400 0.104 0.000 0.800 241 E CB -0.148 29.624 29.700 0.119 0.000 0.746 241 E HN 0.614 nan 8.360 nan 0.000 0.452 242 R N 0.653 121.184 120.500 0.052 0.000 2.075 242 R HA -0.069 4.271 4.340 0.000 0.000 0.232 242 R C 1.846 178.174 176.300 0.047 0.000 1.126 242 R CA 1.021 57.143 56.100 0.038 0.000 0.963 242 R CB 0.030 30.340 30.300 0.016 0.000 0.858 242 R HN 0.162 nan 8.270 nan 0.000 0.435 243 L N 0.462 121.719 121.223 0.056 0.000 2.607 243 L HA 0.132 4.472 4.340 0.000 0.000 0.228 243 L C 0.101 177.021 176.870 0.083 0.000 1.123 243 L CA -0.130 54.755 54.840 0.075 0.000 0.890 243 L CB 0.002 42.114 42.059 0.088 0.000 1.103 243 L HN 0.323 nan 8.230 nan 0.000 0.468 244 N N 1.206 119.951 118.700 0.076 0.000 2.758 244 N HA -0.205 4.535 4.740 0.000 0.000 0.248 244 N C -0.607 174.945 175.510 0.069 0.000 1.076 244 N CA 0.416 53.513 53.050 0.079 0.000 0.696 244 N CB -1.234 37.303 38.487 0.082 0.000 0.979 244 N HN 0.311 nan 8.380 nan 0.000 0.550 245 I N 0.448 121.048 120.570 0.051 0.000 2.321 245 I HA 0.359 4.530 4.170 0.000 0.000 0.291 245 I C -1.851 174.219 176.117 -0.079 0.000 0.998 245 I CA -2.095 59.214 61.300 0.015 0.000 1.227 245 I CB 1.356 39.387 38.000 0.051 0.000 1.368 245 I HN -0.010 nan 8.210 nan 0.000 0.466 246 P HA 0.035 nan 4.420 nan 0.000 0.266 246 P C -0.742 176.364 177.300 -0.324 0.000 1.195 246 P CA -0.057 62.692 63.100 -0.585 0.000 0.768 246 P CB 0.610 31.555 31.700 -1.259 0.000 0.838 247 V N 5.239 125.012 119.914 -0.235 0.000 2.378 247 V HA 0.371 4.491 4.120 0.000 0.000 0.288 247 V C 0.312 176.394 176.094 -0.019 0.000 1.016 247 V CA -0.300 61.947 62.300 -0.089 0.000 0.840 247 V CB 0.906 32.693 31.823 -0.061 0.000 0.994 247 V HN 0.381 nan 8.190 nan 0.000 0.431 248 I N 4.455 125.035 120.570 0.016 0.000 2.493 248 I HA 0.662 4.832 4.170 0.000 0.000 0.298 248 I C 0.420 176.595 176.117 0.096 0.000 0.998 248 I CA -0.263 61.088 61.300 0.086 0.000 1.137 248 I CB 2.480 40.554 38.000 0.125 0.000 1.310 248 I HN 0.716 nan 8.210 nan 0.000 0.445 249 T N -0.023 114.598 114.554 0.111 0.000 2.926 249 T HA 0.571 4.921 4.350 0.000 0.000 0.289 249 T C 0.074 174.862 174.700 0.146 0.000 1.054 249 T CA -0.715 61.449 62.100 0.107 0.000 1.015 249 T CB 1.672 70.590 68.868 0.082 0.000 1.167 249 T HN 0.676 nan 8.240 nan 0.000 0.526 250 T N -0.197 114.432 114.554 0.126 0.000 2.726 250 T HA 0.208 4.558 4.350 0.000 0.000 0.294 250 T C 0.951 175.797 174.700 0.244 0.000 1.013 250 T CA -0.493 61.678 62.100 0.118 0.000 0.996 250 T CB -0.110 68.772 68.868 0.023 0.000 1.016 250 T HN 0.516 nan 8.240 nan 0.000 0.529 251 Y N 0.510 120.878 120.300 0.114 0.000 2.139 251 Y HA -0.076 4.474 4.550 0.000 0.000 0.282 251 Y C 2.303 178.349 175.900 0.244 0.000 1.179 251 Y CA 1.150 59.354 58.100 0.172 0.000 1.161 251 Y CB -1.169 37.389 38.460 0.163 0.000 0.970 251 Y HN 0.729 nan 8.280 nan 0.000 0.511 252 I N -3.149 117.623 120.570 0.338 0.000 3.956 252 I HA 0.474 4.644 4.170 0.000 0.000 0.333 252 I C 1.521 177.778 176.117 0.233 0.000 1.302 252 I CA 0.639 62.121 61.300 0.302 0.000 1.122 252 I CB 0.026 38.177 38.000 0.251 0.000 1.013 252 I HN -0.069 nan 8.210 nan 0.000 0.405 253 A N 0.885 123.794 122.820 0.149 0.000 2.379 253 A HA 0.319 4.639 4.320 0.000 0.000 0.236 253 A C 0.680 178.286 177.584 0.036 0.000 1.272 253 A CA -0.397 51.662 52.037 0.037 0.000 0.886 253 A CB -0.392 18.620 19.000 0.019 0.000 0.962 253 A HN 0.333 nan 8.150 nan 0.000 0.504 254 K N -0.273 120.195 120.400 0.113 0.000 2.451 254 K HA 0.346 4.666 4.320 0.000 0.000 0.280 254 K C 1.120 177.754 176.600 0.056 0.000 1.020 254 K CA 1.014 57.357 56.287 0.093 0.000 1.008 254 K CB 0.240 32.821 32.500 0.134 0.000 0.917 254 K HN 0.597 nan 8.250 nan 0.000 0.478 255 G N 0.798 109.611 108.800 0.021 0.000 2.184 255 G HA2 -0.278 3.682 3.960 0.000 0.000 0.206 255 G HA3 -0.278 3.682 3.960 0.000 0.000 0.206 255 G C 0.683 175.556 174.900 -0.045 0.000 0.995 255 G CA 0.117 45.217 45.100 0.001 0.000 0.651 255 G HN 0.522 nan 8.290 nan 0.000 0.511 256 V N -1.451 118.424 119.914 -0.064 0.000 2.759 256 V HA 0.438 4.558 4.120 0.000 0.000 0.256 256 V C 1.248 177.288 176.094 -0.090 0.000 1.080 256 V CA 1.281 63.529 62.300 -0.087 0.000 1.101 256 V CB -0.282 31.490 31.823 -0.085 0.000 0.698 256 V HN 0.415 nan 8.190 nan 0.000 0.477 257 L N 0.636 121.805 121.223 -0.089 0.000 2.342 257 L HA 0.584 4.924 4.340 0.000 0.000 0.271 257 L C -2.524 174.327 176.870 -0.030 0.000 1.008 257 L CA -2.191 52.568 54.840 -0.136 0.000 0.818 257 L CB 2.092 44.004 42.059 -0.246 0.000 1.296 257 L HN -0.003 nan 8.230 nan 0.000 0.427 258 P HA 0.058 nan 4.420 nan 0.000 0.272 258 P C -0.558 176.797 177.300 0.091 0.000 1.223 258 P CA -0.410 62.730 63.100 0.067 0.000 0.784 258 P CB 0.500 32.258 31.700 0.097 0.000 0.923 259 V N 2.002 121.956 119.914 0.068 0.000 2.644 259 V HA 0.174 4.294 4.120 0.000 0.000 0.305 259 V C 1.759 177.898 176.094 0.074 0.000 1.053 259 V CA 1.932 64.271 62.300 0.064 0.000 1.186 259 V CB -0.745 31.107 31.823 0.049 0.000 0.895 259 V HN 1.054 nan 8.190 nan 0.000 0.490 260 G N 2.514 111.358 108.800 0.072 0.000 2.179 260 G HA2 -0.259 3.701 3.960 0.000 0.000 0.260 260 G HA3 -0.259 3.701 3.960 0.000 0.000 0.260 260 G C 0.339 175.281 174.900 0.070 0.000 0.977 260 G CA 0.302 45.435 45.100 0.055 0.000 0.641 260 G HN 0.972 nan 8.290 nan 0.000 0.533 261 H N 1.450 120.536 119.070 0.028 0.000 2.848 261 H HA 0.187 4.743 4.556 0.000 0.000 0.341 261 H C 1.634 176.993 175.328 0.052 0.000 1.060 261 H CA 1.043 57.112 56.048 0.037 0.000 1.444 261 H CB 0.536 30.322 29.762 0.039 0.000 1.446 261 H HN 0.538 nan 8.280 nan 0.000 0.583 262 E N 3.615 123.785 120.200 -0.050 0.000 2.160 262 E HA -0.152 4.198 4.350 0.000 0.000 0.195 262 E C 1.545 178.314 176.600 0.282 0.000 0.991 262 E CA 0.962 57.404 56.400 0.071 0.000 0.810 262 E CB 0.225 29.913 29.700 -0.019 0.000 0.742 262 E HN 0.625 nan 8.360 nan 0.000 0.466 263 L N 0.688 122.196 121.223 0.476 0.000 2.607 263 L HA 0.094 4.434 4.340 0.000 0.000 0.228 263 L C 0.808 177.864 176.870 0.310 0.000 1.123 263 L CA -0.348 54.705 54.840 0.354 0.000 0.890 263 L CB -0.086 42.104 42.059 0.219 0.000 1.103 263 L HN -0.038 nan 8.230 nan 0.000 0.468 264 N N 0.031 118.927 118.700 0.326 0.000 2.739 264 N HA -0.047 4.693 4.740 0.000 0.000 0.266 264 N C 0.557 176.221 175.510 0.255 0.000 1.168 264 N CA 0.035 53.208 53.050 0.205 0.000 1.055 264 N CB 0.103 38.679 38.487 0.147 0.000 1.393 264 N HN 0.046 nan 8.380 nan 0.000 0.514 265 Y N 1.479 121.770 120.300 -0.014 0.000 2.561 265 Y HA 0.199 4.749 4.550 0.000 0.000 0.291 265 Y C 1.871 177.739 175.900 -0.054 0.000 1.141 265 Y CA 0.475 58.545 58.100 -0.050 0.000 1.303 265 Y CB -0.407 38.007 38.460 -0.076 0.000 1.015 265 Y HN 0.569 nan 8.280 nan 0.000 0.547 266 G N -0.371 108.493 108.800 0.106 0.000 2.610 266 G HA2 0.144 4.104 3.960 0.000 0.000 0.304 266 G HA3 0.144 4.104 3.960 0.000 0.000 0.304 266 G C -0.689 174.239 174.900 0.046 0.000 1.309 266 G CA -0.699 44.421 45.100 0.033 0.000 0.906 266 G HN 0.522 nan 8.290 nan 0.000 0.521 267 A N -1.112 121.715 122.820 0.011 0.000 2.294 267 A HA 0.998 5.318 4.320 0.000 0.000 0.330 267 A C 0.549 178.174 177.584 0.067 0.000 1.133 267 A CA 0.280 52.358 52.037 0.069 0.000 0.836 267 A CB 1.370 20.410 19.000 0.066 0.000 1.190 267 A HN 2.367 nan 8.150 nan 0.000 0.492 268 V N -1.178 118.840 119.914 0.174 0.000 2.815 268 V HA 0.936 5.057 4.120 0.000 0.000 0.314 268 V C -0.138 176.111 176.094 0.258 0.000 1.064 268 V CA -0.015 62.397 62.300 0.187 0.000 0.952 268 V CB 1.327 33.332 31.823 0.303 0.000 1.020 268 V HN 1.286 nan 8.190 nan 0.000 0.439 269 T N 1.317 115.981 114.554 0.183 0.000 2.894 269 T HA 0.590 4.940 4.350 0.000 0.000 0.309 269 T C 1.036 175.794 174.700 0.097 0.000 1.208 269 T CA 0.262 62.511 62.100 0.248 0.000 1.016 269 T CB 1.606 70.625 68.868 0.253 0.000 1.192 269 T HN 1.354 nan 8.240 nan 0.000 0.491 270 G N 0.830 109.640 108.800 0.018 0.000 2.470 270 G HA2 -0.088 3.872 3.960 0.000 0.000 0.220 270 G HA3 -0.088 3.872 3.960 0.000 0.000 0.220 270 G C 0.688 175.429 174.900 -0.266 0.000 1.121 270 G CA 0.709 45.705 45.100 -0.173 0.000 0.766 270 G HN 0.791 nan 8.290 nan 0.000 0.553 271 Y N 0.675 120.859 120.300 -0.194 0.000 2.546 271 Y HA 0.126 4.676 4.550 0.000 0.000 0.287 271 Y C 2.841 178.640 175.900 -0.169 0.000 1.158 271 Y CA 0.639 58.624 58.100 -0.193 0.000 1.307 271 Y CB -0.298 37.983 38.460 -0.298 0.000 1.036 271 Y HN 0.283 nan 8.280 nan 0.000 0.532 272 M N -1.283 118.295 119.600 -0.037 0.000 2.159 272 M HA -0.142 4.338 4.480 0.000 0.000 0.263 272 M C 1.011 177.265 176.300 -0.077 0.000 1.063 272 M CA 1.908 57.140 55.300 -0.114 0.000 1.110 272 M CB -0.317 32.215 32.600 -0.113 0.000 1.374 272 M HN -0.050 nan 8.290 nan 0.000 0.411 273 D N 1.389 121.776 120.400 -0.021 0.000 2.084 273 D HA -0.071 4.569 4.640 0.000 0.000 0.194 273 D C 2.322 178.633 176.300 0.019 0.000 0.990 273 D CA 1.989 55.997 54.000 0.014 0.000 0.826 273 D CB -0.778 40.026 40.800 0.007 0.000 0.971 273 D HN 0.574 nan 8.370 nan 0.000 0.453 274 G N 0.832 109.644 108.800 0.021 0.000 2.476 274 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 274 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 274 G C 1.841 176.793 174.900 0.086 0.000 1.164 274 G CA 0.612 45.751 45.100 0.066 0.000 0.768 274 G HN 0.275 nan 8.290 nan 0.000 0.560 275 I N 0.187 120.764 120.570 0.012 0.000 2.179 275 I HA -0.091 4.079 4.170 0.000 0.000 0.242 275 I C 2.492 178.485 176.117 -0.207 0.000 1.088 275 I CA 0.838 62.091 61.300 -0.079 0.000 1.357 275 I CB -0.120 37.641 38.000 -0.398 0.000 1.051 275 I HN 0.097 nan 8.210 nan 0.000 0.409 276 L N 0.008 121.048 121.223 -0.305 0.000 2.492 276 L HA 0.019 4.359 4.340 0.000 0.000 0.223 276 L C 0.440 177.300 176.870 -0.017 0.000 1.132 276 L CA 0.059 54.643 54.840 -0.427 0.000 0.850 276 L CB -0.568 41.285 42.059 -0.342 0.000 0.966 276 L HN 0.390 nan 8.230 nan 0.000 0.454 277 N N 0.393 119.141 118.700 0.080 0.000 2.671 277 N HA -0.295 4.445 4.740 0.000 0.000 0.261 277 N C -0.849 174.793 175.510 0.220 0.000 1.053 277 N CA 0.452 53.589 53.050 0.146 0.000 0.732 277 N CB -0.903 37.689 38.487 0.176 0.000 0.887 277 N HN 0.265 nan 8.380 nan 0.000 0.546 278 F N 0.469 120.410 119.950 -0.016 0.000 2.690 278 F HA 0.394 4.921 4.527 0.000 0.000 0.311 278 F C -2.335 173.452 175.800 -0.022 0.000 1.111 278 F CA -1.505 56.483 58.000 -0.019 0.000 1.003 278 F CB 1.498 40.474 39.000 -0.040 0.000 1.283 278 F HN -0.008 nan 8.300 nan 0.000 0.442 279 P HA 0.185 nan 4.420 nan 0.000 0.241 279 P C -0.159 177.132 177.300 -0.015 0.000 1.760 279 P CA 0.486 63.438 63.100 -0.248 0.000 1.081 279 P CB 0.382 31.867 31.700 -0.358 0.000 1.975 280 A N 2.687 125.635 122.820 0.214 0.000 1.854 280 A HA -0.084 4.236 4.320 0.000 0.000 0.214 280 A C 2.103 179.776 177.584 0.147 0.000 1.192 280 A CA 0.957 53.154 52.037 0.268 0.000 0.611 280 A CB -1.121 17.975 19.000 0.160 0.000 0.832 280 A HN 0.338 nan 8.150 nan 0.000 0.442 281 L N -0.968 120.338 121.223 0.139 0.000 2.083 281 L HA -0.223 4.117 4.340 0.000 0.000 0.209 281 L C 2.865 179.885 176.870 0.249 0.000 1.083 281 L CA 1.674 56.651 54.840 0.227 0.000 0.752 281 L CB -0.370 41.820 42.059 0.219 0.000 0.899 281 L HN 0.466 nan 8.230 nan 0.000 0.433 282 Q N -0.285 119.603 119.800 0.146 0.000 2.084 282 Q HA -0.177 4.163 4.340 0.000 0.000 0.202 282 Q C 2.091 178.160 176.000 0.116 0.000 0.978 282 Q CA 2.395 58.269 55.803 0.118 0.000 0.844 282 Q CB -0.256 28.506 28.738 0.040 0.000 0.898 282 Q HN 0.379 nan 8.270 nan 0.000 0.426 283 T N 0.175 114.787 114.554 0.096 0.000 2.746 283 T HA -0.193 4.157 4.350 0.000 0.000 0.267 283 T C 1.633 176.394 174.700 0.102 0.000 1.039 283 T CA 1.561 63.725 62.100 0.106 0.000 1.142 283 T CB -0.280 68.692 68.868 0.174 0.000 0.866 283 T HN 0.284 nan 8.240 nan 0.000 0.444 284 M N 0.243 119.864 119.600 0.035 0.000 2.099 284 M HA 0.078 4.558 4.480 0.000 0.000 0.262 284 M C 1.071 177.289 176.300 -0.138 0.000 1.067 284 M CA 1.779 56.996 55.300 -0.138 0.000 1.124 284 M CB -0.244 32.109 32.600 -0.412 0.000 1.353 284 M HN 0.216 nan 8.290 nan 0.000 0.410 285 F N -1.262 118.801 119.950 0.189 0.000 2.717 285 F HA 0.439 4.966 4.527 0.000 0.000 0.297 285 F C 2.102 177.943 175.800 0.068 0.000 1.113 285 F CA 0.296 58.376 58.000 0.133 0.000 1.319 285 F CB -1.080 38.012 39.000 0.153 0.000 1.097 285 F HN 0.146 nan 8.300 nan 0.000 0.595 286 A N 1.432 124.386 122.820 0.223 0.000 1.892 286 A HA -0.160 4.160 4.320 0.000 0.000 0.218 286 A C -0.423 177.215 177.584 0.090 0.000 1.188 286 A CA 2.013 54.134 52.037 0.140 0.000 0.631 286 A CB -1.956 17.107 19.000 0.105 0.000 0.822 286 A HN 0.215 nan 8.150 nan 0.000 0.447 287 P HA 0.162 nan 4.420 nan 0.000 0.251 287 P C -0.012 177.276 177.300 -0.021 0.000 1.223 287 P CA 0.100 63.212 63.100 0.019 0.000 0.796 287 P CB -0.086 31.619 31.700 0.010 0.000 1.068 288 V N 3.214 123.062 119.914 -0.109 0.000 2.599 288 V HA -0.015 4.105 4.120 0.000 0.000 0.300 288 V C 1.380 177.498 176.094 0.040 0.000 1.034 288 V CA 0.984 63.243 62.300 -0.068 0.000 1.115 288 V CB 0.326 32.152 31.823 0.006 0.000 0.934 288 V HN 0.216 nan 8.190 nan 0.000 0.485 289 D N 2.858 123.284 120.400 0.043 0.000 2.433 289 D HA 0.214 4.854 4.640 0.000 0.000 0.211 289 D C -0.180 176.136 176.300 0.028 0.000 1.114 289 D CA -0.109 53.914 54.000 0.038 0.000 0.837 289 D CB 0.689 41.504 40.800 0.025 0.000 0.984 289 D HN 0.327 nan 8.370 nan 0.000 0.505 290 L N 0.651 121.884 121.223 0.017 0.000 2.562 290 L HA 0.455 4.795 4.340 0.000 0.000 0.266 290 L C -1.943 174.892 176.870 -0.058 0.000 0.949 290 L CA -0.794 54.043 54.840 -0.006 0.000 0.879 290 L CB 2.329 44.407 42.059 0.031 0.000 1.278 290 L HN -0.181 nan 8.230 nan 0.000 0.404 291 V N 6.247 126.063 119.914 -0.164 0.000 2.334 291 V HA 0.457 4.577 4.120 0.000 0.000 0.281 291 V C -0.426 175.489 176.094 -0.298 0.000 1.016 291 V CA -0.390 61.718 62.300 -0.320 0.000 0.832 291 V CB 1.403 32.763 31.823 -0.773 0.000 0.999 291 V HN 0.568 nan 8.190 nan 0.000 0.439 292 L N 5.077 126.180 121.223 -0.200 0.000 2.259 292 L HA 0.416 4.756 4.340 0.000 0.000 0.288 292 L C 0.859 177.608 176.870 -0.203 0.000 1.051 292 L CA -0.024 54.706 54.840 -0.183 0.000 0.824 292 L CB 1.300 43.288 42.059 -0.117 0.000 1.206 292 L HN 0.752 nan 8.230 nan 0.000 0.429 293 T N 0.359 114.774 114.554 -0.231 0.000 2.863 293 T HA 0.411 4.761 4.350 0.000 0.000 0.299 293 T C 0.042 174.711 174.700 -0.053 0.000 0.973 293 T CA -0.690 61.332 62.100 -0.131 0.000 0.994 293 T CB 0.122 68.886 68.868 -0.173 0.000 0.961 293 T HN 0.152 nan 8.240 nan 0.000 0.552 294 V N 3.824 123.708 119.914 -0.050 0.000 2.372 294 V HA 0.573 4.693 4.120 0.000 0.000 0.261 294 V C 1.403 177.492 176.094 -0.010 0.000 1.055 294 V CA 0.198 62.455 62.300 -0.072 0.000 0.930 294 V CB -0.087 31.718 31.823 -0.030 0.000 1.031 294 V HN 1.286 nan 8.190 nan 0.000 0.479 295 G N 4.056 112.842 108.800 -0.023 0.000 2.248 295 G HA2 -0.305 3.655 3.960 0.000 0.000 0.263 295 G HA3 -0.305 3.655 3.960 0.000 0.000 0.263 295 G C -0.232 174.702 174.900 0.057 0.000 1.082 295 G CA -0.111 44.992 45.100 0.006 0.000 0.863 295 G HN 0.873 nan 8.290 nan 0.000 0.495 296 Y N 1.027 121.326 120.300 -0.002 0.000 2.511 296 Y HA 0.469 5.019 4.550 0.000 0.000 0.332 296 Y C 0.163 176.112 175.900 0.083 0.000 1.177 296 Y CA 0.226 58.364 58.100 0.065 0.000 1.422 296 Y CB 1.118 39.668 38.460 0.151 0.000 1.271 296 Y HN 0.234 nan 8.280 nan 0.000 0.550 297 D N 4.909 124.876 120.400 -0.721 0.000 2.616 297 D HA 0.026 4.667 4.640 0.000 0.000 0.238 297 D C -0.074 175.853 176.300 -0.622 0.000 1.354 297 D CA -0.507 53.212 54.000 -0.469 0.000 0.970 297 D CB 0.354 41.032 40.800 -0.204 0.000 1.369 297 D HN 0.577 nan 8.370 nan 0.000 0.585 298 Y N 3.522 123.495 120.300 -0.545 0.000 2.298 298 Y HA -0.164 4.386 4.550 0.000 0.000 0.287 298 Y C 1.953 177.731 175.900 -0.203 0.000 1.164 298 Y CA 2.125 60.062 58.100 -0.272 0.000 1.229 298 Y CB -0.167 38.281 38.460 -0.020 0.000 0.977 298 Y HN 0.547 nan 8.280 nan 0.000 0.538 299 A N -0.314 122.427 122.820 -0.132 0.000 2.067 299 A HA -0.164 4.157 4.320 0.000 0.000 0.219 299 A C 2.016 179.469 177.584 -0.219 0.000 1.158 299 A CA 1.508 53.444 52.037 -0.168 0.000 0.661 299 A CB -0.577 18.371 19.000 -0.087 0.000 0.801 299 A HN 0.588 nan 8.150 nan 0.000 0.452 300 E N -1.230 118.823 120.200 -0.246 0.000 2.478 300 E HA -0.075 4.276 4.350 0.000 0.000 0.198 300 E C 0.070 176.426 176.600 -0.407 0.000 1.046 300 E CA 0.392 56.627 56.400 -0.274 0.000 0.870 300 E CB -0.031 29.537 29.700 -0.220 0.000 0.818 300 E HN 0.511 nan 8.360 nan 0.000 0.527 301 D N -0.249 119.926 120.400 -0.376 0.000 3.041 301 D HA -0.202 4.438 4.640 0.000 0.000 0.220 301 D C -0.755 175.374 176.300 -0.284 0.000 1.157 301 D CA 0.387 54.162 54.000 -0.375 0.000 0.876 301 D CB -1.128 39.472 40.800 -0.333 0.000 1.107 301 D HN 0.188 nan 8.370 nan 0.000 0.422 302 L N 1.191 122.305 121.223 -0.182 0.000 2.302 302 L HA 0.331 4.671 4.340 0.000 0.000 0.285 302 L C 0.618 177.559 176.870 0.118 0.000 1.090 302 L CA -0.474 54.371 54.840 0.007 0.000 0.866 302 L CB 0.093 42.228 42.059 0.128 0.000 1.244 302 L HN -0.049 nan 8.230 nan 0.000 0.435 303 R N 4.625 125.106 120.500 -0.032 0.000 2.528 303 R HA 0.278 4.618 4.340 0.000 0.000 0.271 303 R C -1.687 174.294 176.300 -0.533 0.000 1.056 303 R CA -1.685 54.375 56.100 -0.065 0.000 1.117 303 R CB 0.373 30.627 30.300 -0.076 0.000 1.085 303 R HN 0.352 nan 8.270 nan 0.000 0.530 304 P HA -0.225 nan 4.420 nan 0.000 0.216 304 P C 1.143 177.592 177.300 -1.419 0.000 1.150 304 P CA 1.565 63.480 63.100 -1.974 0.000 0.843 304 P CB 0.111 31.113 31.700 -1.162 0.000 0.787 305 S N -1.338 113.935 115.700 -0.712 0.000 2.419 305 S HA -0.226 4.244 4.470 0.000 0.000 0.235 305 S C 1.909 176.242 174.600 -0.446 0.000 1.019 305 S CA 1.480 59.397 58.200 -0.473 0.000 0.982 305 S CB -1.290 61.746 63.200 -0.275 0.000 0.789 305 S HN 0.032 nan 8.310 nan 0.000 0.490 306 M N 1.554 120.867 119.600 -0.478 0.000 2.175 306 M HA 0.032 4.512 4.480 0.000 0.000 0.264 306 M C 1.619 177.626 176.300 -0.488 0.000 1.063 306 M CA 1.539 56.644 55.300 -0.325 0.000 1.119 306 M CB -0.543 31.948 32.600 -0.182 0.000 1.377 306 M HN 0.715 nan 8.290 nan 0.000 0.415 307 W N -0.367 120.512 121.300 -0.702 0.000 3.211 307 W HA 0.343 5.003 4.660 0.000 0.000 0.292 307 W C 0.022 176.238 176.519 -0.506 0.000 1.268 307 W CA -0.362 56.280 57.345 -1.171 0.000 1.702 307 W CB -1.089 27.718 29.460 -1.089 0.000 1.092 307 W HN 0.126 nan 8.180 nan 0.000 0.643 308 Q N 2.533 122.120 119.800 -0.355 0.000 3.181 308 Q HA 0.142 4.482 4.340 0.000 0.000 0.293 308 Q C -0.386 175.573 176.000 -0.067 0.000 1.406 308 Q CA 0.327 56.034 55.803 -0.159 0.000 1.026 308 Q CB -0.001 28.574 28.738 -0.273 0.000 1.630 308 Q HN -0.095 nan 8.270 nan 0.000 0.553 309 K N 0.163 120.581 120.400 0.029 0.000 2.371 309 K HA 0.617 4.937 4.320 0.000 0.000 0.251 309 K C 0.449 177.107 176.600 0.096 0.000 0.934 309 K CA -0.100 56.230 56.287 0.070 0.000 0.798 309 K CB 1.963 34.548 32.500 0.143 0.000 1.204 309 K HN 0.446 nan 8.250 nan 0.000 0.427 310 G N 2.356 111.196 108.800 0.067 0.000 2.531 310 G HA2 -0.320 3.640 3.960 0.000 0.000 0.274 310 G HA3 -0.320 3.640 3.960 0.000 0.000 0.274 310 G C 0.209 175.143 174.900 0.056 0.000 1.159 310 G CA 0.174 45.313 45.100 0.064 0.000 0.969 310 G HN 0.777 nan 8.290 nan 0.000 0.554 311 I N -0.036 120.572 120.570 0.063 0.000 2.882 311 I HA 0.577 4.747 4.170 0.000 0.000 0.286 311 I C 0.547 176.700 176.117 0.060 0.000 1.139 311 I CA -0.468 60.865 61.300 0.054 0.000 1.379 311 I CB 0.408 38.439 38.000 0.053 0.000 1.410 311 I HN 0.595 nan 8.210 nan 0.000 0.594 312 E N 3.300 123.529 120.200 0.049 0.000 2.452 312 E HA 0.119 4.469 4.350 0.000 0.000 0.261 312 E C -0.879 175.759 176.600 0.063 0.000 0.987 312 E CA 0.209 56.641 56.400 0.053 0.000 0.926 312 E CB 0.599 30.322 29.700 0.038 0.000 0.934 312 E HN 0.453 nan 8.360 nan 0.000 0.452 313 K N 2.302 122.752 120.400 0.083 0.000 2.318 313 K HA 0.330 4.650 4.320 0.000 0.000 0.249 313 K C -0.533 176.110 176.600 0.071 0.000 0.942 313 K CA -0.910 55.424 56.287 0.079 0.000 0.808 313 K CB 1.593 34.157 32.500 0.106 0.000 1.189 313 K HN 0.129 nan 8.250 nan 0.000 0.428 314 K N 1.350 121.776 120.400 0.043 0.000 2.118 314 K HA 0.310 4.630 4.320 0.000 0.000 0.264 314 K C -0.213 176.394 176.600 0.010 0.000 1.000 314 K CA -0.316 55.993 56.287 0.037 0.000 0.929 314 K CB 1.490 34.009 32.500 0.031 0.000 1.021 314 K HN 0.838 nan 8.250 nan 0.000 0.463 315 T N -2.303 112.264 114.554 0.023 0.000 2.893 315 T HA 0.523 4.873 4.350 0.000 0.000 0.293 315 T C -0.477 174.204 174.700 -0.032 0.000 1.027 315 T CA -0.866 61.225 62.100 -0.015 0.000 0.988 315 T CB 1.380 70.342 68.868 0.156 0.000 1.043 315 T HN 0.119 nan 8.240 nan 0.000 0.461 316 V N 2.845 122.708 119.914 -0.085 0.000 2.444 316 V HA 0.572 4.692 4.120 0.000 0.000 0.294 316 V C 0.173 176.173 176.094 -0.157 0.000 1.022 316 V CA -0.969 61.260 62.300 -0.117 0.000 0.850 316 V CB 1.494 33.246 31.823 -0.118 0.000 0.992 316 V HN 0.988 nan 8.190 nan 0.000 0.426 317 R N 4.526 124.918 120.500 -0.180 0.000 2.312 317 R HA 0.727 5.067 4.340 0.000 0.000 0.311 317 R C -1.495 174.664 176.300 -0.236 0.000 1.004 317 R CA -0.496 55.511 56.100 -0.155 0.000 0.902 317 R CB 0.999 31.157 30.300 -0.237 0.000 1.073 317 R HN 0.648 nan 8.270 nan 0.000 0.457 318 I N 2.620 123.036 120.570 -0.257 0.000 2.447 318 I HA 0.323 4.494 4.170 0.000 0.000 0.287 318 I C -0.611 175.392 176.117 -0.190 0.000 1.023 318 I CA -0.102 60.970 61.300 -0.381 0.000 1.083 318 I CB 2.099 39.633 38.000 -0.777 0.000 1.245 318 I HN 0.547 nan 8.210 nan 0.000 0.434 319 S N 6.556 122.162 115.700 -0.157 0.000 2.535 319 S HA 0.534 5.004 4.470 0.000 0.000 0.272 319 S C -2.660 171.878 174.600 -0.103 0.000 1.149 319 S CA -0.967 57.184 58.200 -0.082 0.000 0.888 319 S CB 2.015 65.212 63.200 -0.005 0.000 1.110 319 S HN 0.382 nan 8.310 nan 0.000 0.463 320 P HA 0.187 nan 4.420 nan 0.000 0.258 320 P C -0.153 177.112 177.300 -0.057 0.000 1.559 320 P CA 0.132 63.178 63.100 -0.090 0.000 0.855 320 P CB -0.906 30.750 31.700 -0.073 0.000 1.594 321 T N -4.168 110.359 114.554 -0.045 0.000 2.894 321 T HA 0.380 4.730 4.350 0.000 0.000 0.309 321 T C -0.395 174.291 174.700 -0.023 0.000 1.208 321 T CA -0.741 61.345 62.100 -0.024 0.000 1.016 321 T CB 1.265 70.129 68.868 -0.006 0.000 1.192 321 T HN -0.231 nan 8.240 nan 0.000 0.491 322 V N 2.751 122.655 119.914 -0.017 0.000 2.715 322 V HA 0.249 4.369 4.120 0.000 0.000 0.299 322 V C 1.026 177.112 176.094 -0.013 0.000 1.054 322 V CA -0.657 61.631 62.300 -0.020 0.000 1.077 322 V CB 0.543 32.357 31.823 -0.015 0.000 0.972 322 V HN 1.007 nan 8.190 nan 0.000 0.484 323 N N 6.785 125.469 118.700 -0.027 0.000 2.386 323 N HA 0.026 4.766 4.740 0.000 0.000 0.273 323 N C -1.037 174.464 175.510 -0.014 0.000 1.331 323 N CA -1.211 51.826 53.050 -0.022 0.000 0.891 323 N CB 0.886 39.326 38.487 -0.079 0.000 1.139 323 N HN 0.428 nan 8.380 nan 0.000 0.487 324 P HA 0.048 nan 4.420 nan 0.000 0.240 324 P C 0.262 177.548 177.300 -0.022 0.000 1.190 324 P CA 0.720 63.820 63.100 0.001 0.000 0.781 324 P CB 0.016 31.730 31.700 0.023 0.000 0.931 325 I N -3.767 116.777 120.570 -0.045 0.000 2.944 325 I HA 0.401 4.571 4.170 0.000 0.000 0.334 325 I C -1.918 174.142 176.117 -0.096 0.000 1.420 325 I CA -2.441 58.794 61.300 -0.108 0.000 0.856 325 I CB 1.170 39.000 38.000 -0.283 0.000 2.091 325 I HN -0.328 nan 8.210 nan 0.000 0.571 326 P HA -0.201 nan 4.420 nan 0.000 0.222 326 P C 1.523 178.787 177.300 -0.060 0.000 1.147 326 P CA 1.172 64.230 63.100 -0.069 0.000 0.790 326 P CB 0.122 31.786 31.700 -0.061 0.000 0.780 327 R N 0.218 120.681 120.500 -0.063 0.000 2.127 327 R HA -0.085 4.255 4.340 0.000 0.000 0.238 327 R C 1.740 178.001 176.300 -0.066 0.000 1.134 327 R CA 1.505 57.571 56.100 -0.057 0.000 0.975 327 R CB -0.294 29.975 30.300 -0.052 0.000 0.865 327 R HN 0.066 nan 8.270 nan 0.000 0.447 328 V N -1.130 118.722 119.914 -0.103 0.000 2.788 328 V HA 0.033 4.153 4.120 0.000 0.000 0.241 328 V C -0.108 175.966 176.094 -0.034 0.000 1.083 328 V CA 0.463 62.687 62.300 -0.127 0.000 1.103 328 V CB 0.117 31.745 31.823 -0.325 0.000 0.800 328 V HN 0.219 nan 8.190 nan 0.000 0.476 329 Y N 1.939 122.133 120.300 -0.177 0.000 2.327 329 Y HA 0.565 5.115 4.550 0.000 0.000 0.325 329 Y C -0.247 175.603 175.900 -0.082 0.000 0.999 329 Y CA -1.947 56.078 58.100 -0.125 0.000 1.195 329 Y CB 0.927 39.308 38.460 -0.132 0.000 1.132 329 Y HN -0.016 nan 8.280 nan 0.000 0.455 330 R N 7.642 128.141 120.500 -0.002 0.000 2.575 330 R HA 0.312 4.652 4.340 0.000 0.000 0.281 330 R C -2.672 173.512 176.300 -0.192 0.000 1.272 330 R CA -1.687 54.331 56.100 -0.137 0.000 1.417 330 R CB 0.658 30.929 30.300 -0.048 0.000 1.121 330 R HN 0.515 nan 8.270 nan 0.000 0.583 331 P HA 0.001 nan 4.420 nan 0.000 0.267 331 P C 0.182 177.397 177.300 -0.142 0.000 1.200 331 P CA -0.125 62.767 63.100 -0.346 0.000 0.772 331 P CB 1.238 32.614 31.700 -0.539 0.000 0.855 332 D N 0.117 120.485 120.400 -0.054 0.000 2.144 332 D HA -0.036 4.604 4.640 0.000 0.000 0.199 332 D C 0.368 176.645 176.300 -0.037 0.000 0.984 332 D CA 1.452 55.436 54.000 -0.027 0.000 0.834 332 D CB 0.310 41.113 40.800 0.006 0.000 0.955 332 D HN 0.122 nan 8.370 nan 0.000 0.465 333 V N 1.064 120.945 119.914 -0.056 0.000 2.577 333 V HA 0.191 4.311 4.120 0.000 0.000 0.303 333 V C -0.843 175.190 176.094 -0.102 0.000 1.042 333 V CA -0.904 61.368 62.300 -0.047 0.000 0.872 333 V CB 2.434 34.257 31.823 0.001 0.000 0.998 333 V HN -0.136 nan 8.190 nan 0.000 0.423 334 D N 3.476 123.819 120.400 -0.095 0.000 2.440 334 D HA 0.490 5.130 4.640 0.000 0.000 0.239 334 D C -0.859 175.397 176.300 -0.074 0.000 1.084 334 D CA -0.154 53.770 54.000 -0.127 0.000 0.843 334 D CB 1.960 42.676 40.800 -0.140 0.000 1.097 334 D HN 0.270 nan 8.370 nan 0.000 0.531 335 V N 4.360 124.208 119.914 -0.110 0.000 2.311 335 V HA 0.294 4.414 4.120 0.000 0.000 0.275 335 V C 0.216 176.246 176.094 -0.107 0.000 1.022 335 V CA -0.864 61.402 62.300 -0.056 0.000 0.830 335 V CB 1.410 33.163 31.823 -0.116 0.000 1.012 335 V HN 0.344 nan 8.190 nan 0.000 0.452 336 V N 4.901 124.788 119.914 -0.044 0.000 2.304 336 V HA 0.688 4.808 4.120 0.000 0.000 0.269 336 V C 0.263 176.242 176.094 -0.192 0.000 1.036 336 V CA 0.352 62.596 62.300 -0.094 0.000 0.840 336 V CB 0.875 32.673 31.823 -0.043 0.000 1.036 336 V HN 1.023 nan 8.190 nan 0.000 0.466 337 T N 2.598 116.965 114.554 -0.313 0.000 2.686 337 T HA 0.196 4.547 4.350 0.000 0.000 0.308 337 T C -1.629 172.837 174.700 -0.390 0.000 1.667 337 T CA -0.676 61.092 62.100 -0.554 0.000 0.987 337 T CB 1.621 69.703 68.868 -1.310 0.000 1.652 337 T HN 0.704 nan 8.240 nan 0.000 0.496 338 D N 0.892 121.058 120.400 -0.389 0.000 2.425 338 D HA 0.241 4.881 4.640 0.000 0.000 0.247 338 D C 1.586 177.786 176.300 -0.166 0.000 1.147 338 D CA 0.210 54.081 54.000 -0.215 0.000 0.879 338 D CB 0.875 41.580 40.800 -0.159 0.000 1.179 338 D HN 0.267 nan 8.370 nan 0.000 0.456 339 V N 4.035 123.902 119.914 -0.078 0.000 2.287 339 V HA -0.239 3.881 4.120 0.000 0.000 0.248 339 V C 2.222 178.364 176.094 0.080 0.000 1.053 339 V CA 1.533 63.835 62.300 0.004 0.000 1.027 339 V CB -0.729 31.096 31.823 0.003 0.000 0.646 339 V HN 0.620 nan 8.190 nan 0.000 0.447 340 L N 0.820 122.063 121.223 0.033 0.000 2.046 340 L HA -0.093 4.247 4.340 0.000 0.000 0.208 340 L C 2.470 179.371 176.870 0.052 0.000 1.077 340 L CA 2.358 57.224 54.840 0.044 0.000 0.747 340 L CB -1.043 41.032 42.059 0.026 0.000 0.896 340 L HN 0.230 nan 8.230 nan 0.000 0.432 341 A N -0.802 122.025 122.820 0.011 0.000 1.908 341 A HA -0.293 4.027 4.320 0.000 0.000 0.218 341 A C 2.283 179.948 177.584 0.135 0.000 1.181 341 A CA 1.969 54.029 52.037 0.039 0.000 0.627 341 A CB -1.248 17.683 19.000 -0.115 0.000 0.818 341 A HN 0.595 nan 8.150 nan 0.000 0.445 342 F N 0.953 120.834 119.950 -0.115 0.000 2.095 342 F HA -0.167 4.360 4.527 0.000 0.000 0.298 342 F C 2.133 178.064 175.800 0.219 0.000 1.104 342 F CA 2.117 60.160 58.000 0.072 0.000 1.232 342 F CB -0.533 38.416 39.000 -0.085 0.000 0.987 342 F HN 0.019 nan 8.300 nan 0.000 0.475 343 V N 0.866 120.710 119.914 -0.117 0.000 2.343 343 V HA -0.282 3.838 4.120 0.000 0.000 0.247 343 V C 2.305 178.352 176.094 -0.078 0.000 1.051 343 V CA 2.319 64.504 62.300 -0.192 0.000 1.036 343 V CB -0.839 30.994 31.823 0.017 0.000 0.654 343 V HN 0.385 nan 8.190 nan 0.000 0.451 344 E N -0.492 119.719 120.200 0.018 0.000 2.077 344 E HA -0.273 4.077 4.350 0.000 0.000 0.193 344 E C 2.152 178.786 176.600 0.056 0.000 0.989 344 E CA 1.622 58.047 56.400 0.042 0.000 0.800 344 E CB -0.252 29.492 29.700 0.074 0.000 0.746 344 E HN 0.786 nan 8.360 nan 0.000 0.452 345 H N -0.311 118.795 119.070 0.060 0.000 2.353 345 H HA -0.144 4.412 4.556 0.000 0.000 0.300 345 H C 1.779 177.084 175.328 -0.038 0.000 1.090 345 H CA 1.527 57.610 56.048 0.059 0.000 1.327 345 H CB -0.120 29.773 29.762 0.219 0.000 1.383 345 H HN 0.100 nan 8.280 nan 0.000 0.508 346 F N 1.353 121.161 119.950 -0.236 0.000 2.234 346 F HA -0.112 4.415 4.527 0.000 0.000 0.299 346 F C 2.196 177.795 175.800 -0.336 0.000 1.087 346 F CA 1.183 58.956 58.000 -0.379 0.000 1.340 346 F CB -0.048 38.469 39.000 -0.804 0.000 1.031 346 F HN 0.217 nan 8.300 nan 0.000 0.500 347 E N -0.339 119.740 120.200 -0.201 0.000 2.058 347 E HA -0.175 4.175 4.350 0.000 0.000 0.194 347 E C 2.211 178.629 176.600 -0.303 0.000 0.997 347 E CA 1.957 58.217 56.400 -0.233 0.000 0.801 347 E CB -0.722 28.906 29.700 -0.120 0.000 0.746 347 E HN 0.352 nan 8.360 nan 0.000 0.450 348 T N 1.198 115.578 114.554 -0.289 0.000 2.737 348 T HA -0.094 4.256 4.350 0.000 0.000 0.265 348 T C 1.965 176.441 174.700 -0.374 0.000 1.038 348 T CA 1.476 63.398 62.100 -0.297 0.000 1.144 348 T CB -0.234 68.460 68.868 -0.290 0.000 0.866 348 T HN 0.261 nan 8.240 nan 0.000 0.434 349 A N 1.558 124.087 122.820 -0.484 0.000 2.019 349 A HA -0.063 4.257 4.320 0.000 0.000 0.219 349 A C 2.317 179.496 177.584 -0.674 0.000 1.164 349 A CA 1.869 53.623 52.037 -0.472 0.000 0.644 349 A CB -0.727 18.036 19.000 -0.395 0.000 0.805 349 A HN 0.605 nan 8.150 nan 0.000 0.449 350 T N -4.596 109.395 114.554 -0.939 0.000 3.182 350 T HA 0.570 4.920 4.350 0.000 0.000 0.277 350 T C 1.383 175.605 174.700 -0.796 0.000 1.013 350 T CA 0.739 61.928 62.100 -1.518 0.000 0.900 350 T CB 0.310 68.195 68.868 -1.639 0.000 1.098 350 T HN 0.435 nan 8.240 nan 0.000 0.543 351 A N 2.421 124.979 122.820 -0.436 0.000 1.948 351 A HA -0.053 4.267 4.320 0.000 0.000 0.220 351 A C 2.476 180.006 177.584 -0.089 0.000 1.177 351 A CA 1.926 53.834 52.037 -0.216 0.000 0.636 351 A CB -0.869 18.036 19.000 -0.159 0.000 0.815 351 A HN 0.816 nan 8.150 nan 0.000 0.449 352 S N -1.796 113.904 115.700 -0.000 0.000 2.556 352 S HA 0.357 4.827 4.470 0.000 0.000 0.216 352 S C 0.068 174.817 174.600 0.248 0.000 0.970 352 S CA -0.672 57.593 58.200 0.108 0.000 0.912 352 S CB -0.343 62.913 63.200 0.093 0.000 0.790 352 S HN 0.105 nan 8.310 nan 0.000 0.504 353 F N 2.915 122.819 119.950 -0.076 0.000 2.450 353 F HA 0.591 5.118 4.527 0.000 0.000 0.339 353 F C 1.390 177.166 175.800 -0.041 0.000 1.146 353 F CA -1.079 56.883 58.000 -0.062 0.000 1.267 353 F CB -0.058 38.894 39.000 -0.080 0.000 1.178 353 F HN 0.193 nan 8.300 nan 0.000 0.585 354 G N 0.705 109.575 108.800 0.116 0.000 2.377 354 G HA2 0.521 4.481 3.960 0.000 0.000 0.299 354 G HA3 0.521 4.481 3.960 0.000 0.000 0.299 354 G C -0.598 174.348 174.900 0.077 0.000 1.150 354 G CA -0.520 44.619 45.100 0.065 0.000 0.847 354 G HN 0.902 nan 8.290 nan 0.000 0.501 355 A N 2.379 125.240 122.820 0.068 0.000 2.587 355 A HA 0.298 4.618 4.320 0.000 0.000 0.233 355 A C 0.790 178.414 177.584 0.066 0.000 1.049 355 A CA 0.303 52.382 52.037 0.070 0.000 0.754 355 A CB 0.215 19.250 19.000 0.058 0.000 0.977 355 A HN 0.549 nan 8.150 nan 0.000 0.509 356 K N 1.486 121.935 120.400 0.082 0.000 2.090 356 K HA 0.268 4.588 4.320 0.000 0.000 0.250 356 K C -0.034 176.628 176.600 0.104 0.000 1.004 356 K CA -0.410 55.927 56.287 0.083 0.000 0.919 356 K CB 0.504 33.067 32.500 0.105 0.000 1.045 356 K HN 0.734 nan 8.250 nan 0.000 0.471 357 Q N 2.004 121.877 119.800 0.122 0.000 2.256 357 Q HA 0.183 4.523 4.340 0.000 0.000 0.254 357 Q C 0.115 176.314 176.000 0.331 0.000 0.916 357 Q CA -0.257 55.656 55.803 0.185 0.000 0.932 357 Q CB 1.359 30.202 28.738 0.175 0.000 1.207 357 Q HN 0.482 nan 8.270 nan 0.000 0.426 358 R N 1.475 122.128 120.500 0.255 0.000 2.536 358 R HA 0.412 4.752 4.340 0.000 0.000 0.279 358 R C 0.288 176.648 176.300 0.101 0.000 1.001 358 R CA -0.802 55.449 56.100 0.252 0.000 1.027 358 R CB 0.651 31.056 30.300 0.175 0.000 1.096 358 R HN 0.600 nan 8.270 nan 0.000 0.502 359 H N -0.316 118.550 119.070 -0.341 0.000 2.671 359 H HA 0.147 4.703 4.556 0.000 0.000 0.372 359 H C -0.910 174.366 175.328 -0.087 0.000 1.227 359 H CA -0.677 55.132 56.048 -0.399 0.000 1.426 359 H CB 0.419 29.844 29.762 -0.562 0.000 1.480 359 H HN 0.618 nan 8.280 nan 0.000 0.611 360 D N 0.996 121.344 120.400 -0.086 0.000 2.325 360 D HA 0.141 4.781 4.640 0.000 0.000 0.251 360 D C 0.921 177.124 176.300 -0.162 0.000 1.196 360 D CA -0.422 53.516 54.000 -0.105 0.000 0.866 360 D CB 0.031 40.815 40.800 -0.026 0.000 1.101 360 D HN 0.628 nan 8.370 nan 0.000 0.476 361 I N 0.264 120.681 120.570 -0.256 0.000 4.009 361 I HA 0.312 4.482 4.170 0.000 0.000 0.331 361 I C 1.130 177.127 176.117 -0.199 0.000 1.462 361 I CA -0.465 60.681 61.300 -0.257 0.000 1.117 361 I CB 0.512 38.233 38.000 -0.466 0.000 1.091 361 I HN 0.068 nan 8.210 nan 0.000 0.410 362 E N 2.491 122.606 120.200 -0.143 0.000 2.058 362 E HA -0.122 4.228 4.350 0.000 0.000 0.194 362 E C -0.320 176.235 176.600 -0.075 0.000 0.997 362 E CA 1.614 57.949 56.400 -0.108 0.000 0.801 362 E CB -1.704 27.954 29.700 -0.070 0.000 0.746 362 E HN 0.439 nan 8.360 nan 0.000 0.450 363 P HA -0.168 nan 4.420 nan 0.000 0.216 363 P C 1.738 178.983 177.300 -0.091 0.000 1.154 363 P CA 0.950 64.087 63.100 0.062 0.000 0.865 363 P CB -0.072 31.765 31.700 0.228 0.000 0.789 364 L N -0.543 120.612 121.223 -0.113 0.000 2.072 364 L HA -0.033 4.307 4.340 0.000 0.000 0.205 364 L C 2.246 178.917 176.870 -0.333 0.000 1.079 364 L CA 1.734 56.362 54.840 -0.353 0.000 0.752 364 L CB -0.855 41.134 42.059 -0.117 0.000 0.906 364 L HN -0.241 nan 8.230 nan 0.000 0.436 365 R N -0.525 119.838 120.500 -0.228 0.000 2.152 365 R HA -0.061 4.279 4.340 0.000 0.000 0.232 365 R C 2.164 178.377 176.300 -0.146 0.000 1.117 365 R CA 1.023 57.015 56.100 -0.180 0.000 0.981 365 R CB -0.430 29.767 30.300 -0.173 0.000 0.870 365 R HN 0.555 nan 8.270 nan 0.000 0.451 366 A N 0.669 123.394 122.820 -0.157 0.000 1.930 366 A HA -0.110 4.210 4.320 0.000 0.000 0.215 366 A C 2.062 179.563 177.584 -0.138 0.000 1.176 366 A CA 0.947 52.915 52.037 -0.115 0.000 0.632 366 A CB -0.180 18.773 19.000 -0.079 0.000 0.819 366 A HN 0.059 nan 8.150 nan 0.000 0.445 367 R N 0.317 120.652 120.500 -0.275 0.000 2.115 367 R HA 0.093 4.433 4.340 0.000 0.000 0.226 367 R C 1.610 177.820 176.300 -0.151 0.000 1.100 367 R CA 1.443 57.365 56.100 -0.297 0.000 0.980 367 R CB -0.743 29.105 30.300 -0.753 0.000 0.875 367 R HN 0.552 nan 8.270 nan 0.000 0.445 368 I N 0.056 120.539 120.570 -0.145 0.000 2.233 368 I HA -0.156 4.014 4.170 0.000 0.000 0.243 368 I C 2.273 178.409 176.117 0.031 0.000 1.093 368 I CA 1.235 62.544 61.300 0.015 0.000 1.380 368 I CB -0.430 37.603 38.000 0.055 0.000 1.067 368 I HN 0.233 nan 8.210 nan 0.000 0.413 369 A N 0.411 123.225 122.820 -0.010 0.000 1.908 369 A HA -0.285 4.035 4.320 0.000 0.000 0.218 369 A C 2.348 179.932 177.584 -0.000 0.000 1.181 369 A CA 2.106 54.139 52.037 -0.006 0.000 0.627 369 A CB -0.709 18.278 19.000 -0.021 0.000 0.818 369 A HN 0.538 nan 8.150 nan 0.000 0.445 370 E N -1.625 118.576 120.200 0.002 0.000 2.106 370 E HA -0.189 4.161 4.350 0.000 0.000 0.192 370 E C 1.784 178.395 176.600 0.018 0.000 0.984 370 E CA 1.045 57.451 56.400 0.010 0.000 0.806 370 E CB -0.252 29.456 29.700 0.013 0.000 0.750 370 E HN 0.549 nan 8.360 nan 0.000 0.458 371 F N 1.201 121.059 119.950 -0.155 0.000 2.102 371 F HA -0.128 4.399 4.527 0.000 0.000 0.298 371 F C 2.121 177.783 175.800 -0.230 0.000 1.105 371 F CA 1.331 59.175 58.000 -0.260 0.000 1.239 371 F CB -0.099 38.691 39.000 -0.351 0.000 0.991 371 F HN 0.014 nan 8.300 nan 0.000 0.474 372 L N -0.767 120.420 121.223 -0.060 0.000 2.141 372 L HA -0.146 4.194 4.340 0.000 0.000 0.209 372 L C 2.348 179.203 176.870 -0.024 0.000 1.094 372 L CA 1.048 55.839 54.840 -0.083 0.000 0.763 372 L CB -0.759 41.255 42.059 -0.074 0.000 0.908 372 L HN 0.159 nan 8.230 nan 0.000 0.437 373 A N -1.354 121.454 122.820 -0.021 0.000 2.251 373 A HA -0.070 4.250 4.320 0.000 0.000 0.209 373 A C 0.567 178.143 177.584 -0.014 0.000 1.187 373 A CA -0.190 51.839 52.037 -0.013 0.000 0.823 373 A CB -0.471 18.523 19.000 -0.010 0.000 0.846 373 A HN 0.296 nan 8.150 nan 0.000 0.486 374 D N 1.225 121.614 120.400 -0.018 0.000 2.854 374 D HA -0.038 4.602 4.640 0.000 0.000 0.243 374 D C -1.517 174.789 176.300 0.009 0.000 1.243 374 D CA -0.743 53.256 54.000 -0.003 0.000 0.883 374 D CB 0.816 41.646 40.800 0.051 0.000 1.145 374 D HN 0.222 nan 8.370 nan 0.000 0.555 375 P HA 0.051 nan 4.420 nan 0.000 0.261 375 P C 0.307 177.567 177.300 -0.067 0.000 1.268 375 P CA -0.078 63.003 63.100 -0.032 0.000 0.833 375 P CB 0.269 31.948 31.700 -0.034 0.000 1.231 376 E N 0.328 120.470 120.200 -0.096 0.000 2.408 376 E HA 0.141 4.492 4.350 0.000 0.000 0.259 376 E C -0.379 176.020 176.600 -0.336 0.000 1.110 376 E CA 0.392 56.636 56.400 -0.261 0.000 0.929 376 E CB 0.522 29.978 29.700 -0.408 0.000 0.971 376 E HN -0.007 nan 8.360 nan 0.000 0.438 377 T N 2.184 116.486 114.554 -0.420 0.000 2.925 377 T HA 0.455 4.805 4.350 0.000 0.000 0.285 377 T C -1.177 173.203 174.700 -0.534 0.000 1.021 377 T CA -0.408 61.511 62.100 -0.301 0.000 1.042 377 T CB 0.492 69.269 68.868 -0.151 0.000 1.037 377 T HN 0.288 nan 8.240 nan 0.000 0.481 378 Y N -0.098 120.174 120.300 -0.047 0.000 2.570 378 Y HA 0.349 4.899 4.550 0.000 0.000 0.345 378 Y C 1.497 177.374 175.900 -0.037 0.000 1.014 378 Y CA -0.998 57.079 58.100 -0.038 0.000 1.063 378 Y CB 1.551 39.983 38.460 -0.047 0.000 1.272 378 Y HN 0.669 nan 8.280 nan 0.000 0.477 379 E N 0.163 120.443 120.200 0.133 0.000 2.107 379 E HA -0.119 4.231 4.350 0.000 0.000 0.191 379 E C -0.158 176.467 176.600 0.042 0.000 0.982 379 E CA 1.221 57.656 56.400 0.059 0.000 0.809 379 E CB 0.184 29.912 29.700 0.048 0.000 0.756 379 E HN 0.571 nan 8.360 nan 0.000 0.459 380 D N -0.317 120.110 120.400 0.047 0.000 2.559 380 D HA 0.262 4.902 4.640 0.000 0.000 0.234 380 D C 0.175 176.457 176.300 -0.031 0.000 1.226 380 D CA 0.339 54.340 54.000 0.002 0.000 0.830 380 D CB 0.887 41.682 40.800 -0.008 0.000 1.028 380 D HN 0.204 nan 8.370 nan 0.000 0.492 381 G N 0.140 108.931 108.800 -0.015 0.000 2.373 381 G HA2 -0.131 3.829 3.960 0.000 0.000 0.634 381 G HA3 -0.131 3.829 3.960 0.000 0.000 0.634 381 G C -0.299 174.572 174.900 -0.049 0.000 1.267 381 G CA -0.928 44.141 45.100 -0.051 0.000 1.008 381 G HN 0.042 nan 8.290 nan 0.000 0.497 382 M N 0.030 119.569 119.600 -0.102 0.000 2.114 382 M HA 0.514 4.994 4.480 0.000 0.000 0.293 382 M C 0.824 176.955 176.300 -0.282 0.000 1.201 382 M CA -0.217 55.002 55.300 -0.135 0.000 1.107 382 M CB 0.534 33.046 32.600 -0.146 0.000 1.405 382 M HN 0.442 nan 8.290 nan 0.000 0.486 383 R N 0.282 120.536 120.500 -0.410 0.000 2.604 383 R HA 0.330 4.670 4.340 0.000 0.000 0.287 383 R C 0.767 176.735 176.300 -0.553 0.000 0.970 383 R CA -0.471 55.299 56.100 -0.550 0.000 0.946 383 R CB 1.110 30.940 30.300 -0.784 0.000 1.127 383 R HN 0.548 nan 8.270 nan 0.000 0.473 384 V N 2.952 122.585 119.914 -0.469 0.000 2.490 384 V HA -0.257 3.863 4.120 0.000 0.000 0.250 384 V C 2.285 178.207 176.094 -0.288 0.000 1.061 384 V CA 2.064 64.105 62.300 -0.432 0.000 1.064 384 V CB -0.890 30.563 31.823 -0.616 0.000 0.670 384 V HN 0.747 nan 8.190 nan 0.000 0.461 385 H N 0.445 119.442 119.070 -0.121 0.000 2.421 385 H HA -0.182 4.374 4.556 0.000 0.000 0.298 385 H C 1.991 177.264 175.328 -0.092 0.000 1.087 385 H CA 1.689 57.746 56.048 0.015 0.000 1.330 385 H CB -0.434 29.347 29.762 0.031 0.000 1.388 385 H HN 0.505 nan 8.280 nan 0.000 0.526 386 Q N 0.810 120.358 119.800 -0.419 0.000 2.123 386 Q HA -0.024 4.316 4.340 0.000 0.000 0.199 386 Q C 2.780 178.705 176.000 -0.125 0.000 0.966 386 Q CA 1.251 56.920 55.803 -0.224 0.000 0.845 386 Q CB 0.195 28.777 28.738 -0.259 0.000 0.907 386 Q HN 0.269 nan 8.270 nan 0.000 0.439 387 V N 1.017 120.846 119.914 -0.143 0.000 2.295 387 V HA -0.265 3.855 4.120 0.000 0.000 0.246 387 V C 2.119 178.210 176.094 -0.005 0.000 1.049 387 V CA 1.674 63.923 62.300 -0.085 0.000 1.024 387 V CB -0.419 31.336 31.823 -0.114 0.000 0.648 387 V HN 0.318 nan 8.190 nan 0.000 0.447 388 I N 0.306 120.905 120.570 0.048 0.000 2.315 388 I HA -0.243 3.927 4.170 0.000 0.000 0.248 388 I C 2.304 178.489 176.117 0.114 0.000 1.117 388 I CA 1.949 63.328 61.300 0.132 0.000 1.404 388 I CB -0.373 37.770 38.000 0.239 0.000 1.071 388 I HN 0.380 nan 8.210 nan 0.000 0.419 389 D N 0.305 120.745 120.400 0.065 0.000 2.123 389 D HA -0.183 4.457 4.640 0.000 0.000 0.196 389 D C 2.214 178.545 176.300 0.053 0.000 0.992 389 D CA 1.706 55.735 54.000 0.049 0.000 0.833 389 D CB 0.149 40.956 40.800 0.010 0.000 0.954 389 D HN 0.185 nan 8.370 nan 0.000 0.455 390 S N -0.542 115.178 115.700 0.033 0.000 2.368 390 S HA -0.167 4.303 4.470 0.000 0.000 0.225 390 S C 2.071 176.719 174.600 0.080 0.000 1.030 390 S CA 1.056 59.277 58.200 0.034 0.000 0.999 390 S CB -0.293 62.905 63.200 -0.003 0.000 0.844 390 S HN 0.346 nan 8.310 nan 0.000 0.459 391 M N 1.658 121.322 119.600 0.106 0.000 2.108 391 M HA -0.128 4.352 4.480 0.000 0.000 0.261 391 M C 1.849 178.318 176.300 0.283 0.000 1.066 391 M CA 1.164 56.597 55.300 0.220 0.000 1.107 391 M CB -0.686 32.056 32.600 0.237 0.000 1.356 391 M HN 0.210 nan 8.290 nan 0.000 0.406 392 N N 0.092 118.903 118.700 0.186 0.000 2.069 392 N HA -0.118 4.622 4.740 0.000 0.000 0.191 392 N C 1.692 177.275 175.510 0.122 0.000 1.031 392 N CA 1.903 55.039 53.050 0.143 0.000 0.852 392 N CB -0.890 37.664 38.487 0.112 0.000 1.018 392 N HN 0.322 nan 8.380 nan 0.000 0.423 393 T N 0.887 115.506 114.554 0.109 0.000 2.652 393 T HA -0.066 4.284 4.350 0.000 0.000 0.267 393 T C 2.106 176.872 174.700 0.110 0.000 1.039 393 T CA 1.244 63.396 62.100 0.086 0.000 1.153 393 T CB -0.397 68.509 68.868 0.063 0.000 0.863 393 T HN 0.001 nan 8.240 nan 0.000 0.428 394 V N 1.212 121.225 119.914 0.166 0.000 2.548 394 V HA -0.089 4.031 4.120 0.000 0.000 0.249 394 V C 2.384 178.640 176.094 0.270 0.000 1.055 394 V CA 1.396 63.827 62.300 0.217 0.000 1.065 394 V CB -0.620 31.338 31.823 0.224 0.000 0.681 394 V HN 0.369 nan 8.190 nan 0.000 0.462 395 M N 0.717 120.478 119.600 0.270 0.000 2.117 395 M HA -0.178 4.302 4.480 0.000 0.000 0.262 395 M C 2.028 178.310 176.300 -0.030 0.000 1.065 395 M CA 1.917 57.181 55.300 -0.060 0.000 1.114 395 M CB -0.711 31.787 32.600 -0.170 0.000 1.361 395 M HN 0.404 nan 8.290 nan 0.000 0.408 396 E N -0.419 119.799 120.200 0.030 0.000 2.110 396 E HA -0.227 4.123 4.350 0.000 0.000 0.193 396 E C 1.742 178.356 176.600 0.024 0.000 0.988 396 E CA 1.548 57.962 56.400 0.023 0.000 0.804 396 E CB -0.051 29.670 29.700 0.036 0.000 0.745 396 E HN 0.711 nan 8.360 nan 0.000 0.458 397 E N 0.075 120.302 120.200 0.044 0.000 2.028 397 E HA -0.142 4.208 4.350 0.000 0.000 0.191 397 E C 2.038 178.660 176.600 0.036 0.000 0.988 397 E CA 0.952 57.378 56.400 0.042 0.000 0.799 397 E CB -0.120 29.614 29.700 0.056 0.000 0.755 397 E HN 0.286 nan 8.360 nan 0.000 0.447 398 A N 1.349 124.198 122.820 0.049 0.000 1.969 398 A HA 0.121 4.441 4.320 0.000 0.000 0.218 398 A C 1.365 178.947 177.584 -0.003 0.000 1.169 398 A CA 0.989 53.050 52.037 0.040 0.000 0.635 398 A CB -0.196 18.858 19.000 0.090 0.000 0.810 398 A HN 0.237 nan 8.150 nan 0.000 0.445 399 A N 0.368 123.169 122.820 -0.032 0.000 2.304 399 A HA 0.544 4.864 4.320 0.000 0.000 0.301 399 A C -0.101 177.474 177.584 -0.015 0.000 1.132 399 A CA -0.633 51.380 52.037 -0.040 0.000 0.819 399 A CB 0.339 19.294 19.000 -0.075 0.000 1.094 399 A HN 0.293 nan 8.150 nan 0.000 0.492 400 E N 1.199 121.394 120.200 -0.009 0.000 2.418 400 E HA 0.177 4.527 4.350 0.000 0.000 0.261 400 E C -2.272 174.329 176.600 0.001 0.000 1.070 400 E CA -1.523 54.878 56.400 0.000 0.000 0.931 400 E CB -0.281 29.421 29.700 0.003 0.000 0.954 400 E HN 0.333 nan 8.360 nan 0.000 0.439 401 P HA 0.021 nan 4.420 nan 0.000 0.265 401 P C 0.497 177.805 177.300 0.013 0.000 1.193 401 P CA 0.920 64.027 63.100 0.012 0.000 0.765 401 P CB 0.359 32.068 31.700 0.015 0.000 0.823 402 G N 1.268 110.077 108.800 0.015 0.000 2.153 402 G HA2 -0.229 3.731 3.960 0.000 0.000 0.252 402 G HA3 -0.229 3.731 3.960 0.000 0.000 0.252 402 G C -0.048 174.861 174.900 0.015 0.000 0.994 402 G CA -0.070 45.040 45.100 0.017 0.000 0.698 402 G HN 0.577 nan 8.290 nan 0.000 0.521 403 E N -1.050 119.154 120.200 0.006 0.000 2.393 403 E HA 0.665 5.015 4.350 0.000 0.000 0.265 403 E C 0.345 176.933 176.600 -0.020 0.000 0.941 403 E CA -0.515 55.885 56.400 -0.000 0.000 0.801 403 E CB 2.076 31.774 29.700 -0.003 0.000 1.313 403 E HN 1.555 nan 8.360 nan 0.000 0.435 404 G N 0.321 109.101 108.800 -0.033 0.000 2.650 404 G HA2 -0.068 3.892 3.960 0.000 0.000 0.686 404 G HA3 -0.068 3.892 3.960 0.000 0.000 0.686 404 G C -0.858 174.017 174.900 -0.042 0.000 1.205 404 G CA -0.702 44.349 45.100 -0.082 0.000 0.781 404 G HN 0.403 nan 8.290 nan 0.000 0.648 405 T N 1.384 115.899 114.554 -0.065 0.000 2.881 405 T HA 0.647 4.997 4.350 0.000 0.000 0.290 405 T C 0.226 174.930 174.700 0.006 0.000 1.000 405 T CA -0.486 61.616 62.100 0.003 0.000 0.978 405 T CB 1.508 70.385 68.868 0.016 0.000 0.997 405 T HN 0.666 nan 8.240 nan 0.000 0.443 406 I N 2.866 123.496 120.570 0.101 0.000 2.354 406 I HA 0.508 4.678 4.170 0.000 0.000 0.292 406 I C -0.474 175.698 176.117 0.092 0.000 0.989 406 I CA -1.054 60.359 61.300 0.190 0.000 1.188 406 I CB 1.661 39.866 38.000 0.341 0.000 1.342 406 I HN 0.275 nan 8.210 nan 0.000 0.457 407 V N 4.801 124.760 119.914 0.075 0.000 2.513 407 V HA 0.387 4.507 4.120 0.000 0.000 0.299 407 V C -0.032 176.097 176.094 0.058 0.000 1.035 407 V CA -0.495 61.786 62.300 -0.032 0.000 0.889 407 V CB 1.799 33.627 31.823 0.009 0.000 0.988 407 V HN 0.768 nan 8.190 nan 0.000 0.440 408 S N 2.884 118.569 115.700 -0.024 0.000 2.473 408 S HA 0.364 4.834 4.470 0.000 0.000 0.307 408 S C -0.368 174.398 174.600 0.278 0.000 1.094 408 S CA -0.654 57.674 58.200 0.213 0.000 1.070 408 S CB 1.232 64.587 63.200 0.259 0.000 1.019 408 S HN 0.885 nan 8.310 nan 0.000 0.480 409 D N 2.201 122.879 120.400 0.462 0.000 2.325 409 D HA 0.208 4.848 4.640 0.000 0.000 0.262 409 D C -0.141 176.336 176.300 0.295 0.000 1.263 409 D CA -0.104 54.188 54.000 0.486 0.000 1.020 409 D CB 0.452 41.579 40.800 0.545 0.000 1.117 409 D HN 0.419 nan 8.370 nan 0.000 0.545 410 I N -0.111 120.627 120.570 0.279 0.000 2.377 410 I HA 0.569 4.739 4.170 0.000 0.000 0.293 410 I C 0.952 177.079 176.117 0.017 0.000 0.987 410 I CA -0.233 61.069 61.300 0.004 0.000 1.185 410 I CB 0.418 38.480 38.000 0.103 0.000 1.341 410 I HN 0.542 nan 8.210 nan 0.000 0.455 411 G N 4.224 112.801 108.800 -0.371 0.000 2.315 411 G HA2 0.132 4.092 3.960 0.000 0.000 0.294 411 G HA3 0.132 4.092 3.960 0.000 0.000 0.294 411 G C -0.267 174.473 174.900 -0.267 0.000 1.300 411 G CA -0.640 44.404 45.100 -0.093 0.000 0.843 411 G HN 0.292 nan 8.290 nan 0.000 0.527 412 F N 0.929 120.793 119.950 -0.143 0.000 2.126 412 F HA -0.028 4.499 4.527 0.000 0.000 0.299 412 F C 2.550 178.287 175.800 -0.105 0.000 1.096 412 F CA 2.514 60.392 58.000 -0.204 0.000 1.255 412 F CB -0.541 38.222 39.000 -0.395 0.000 0.997 412 F HN 0.449 nan 8.300 nan 0.000 0.479 413 F N 0.356 120.295 119.950 -0.018 0.000 2.236 413 F HA -0.138 4.389 4.527 0.000 0.000 0.302 413 F C 2.332 178.141 175.800 0.016 0.000 1.073 413 F CA 1.529 59.535 58.000 0.011 0.000 1.336 413 F CB -1.222 37.827 39.000 0.081 0.000 1.040 413 F HN -0.076 nan 8.300 nan 0.000 0.507 414 R N 0.660 120.498 120.500 -1.103 0.000 2.096 414 R HA -0.170 4.170 4.340 0.000 0.000 0.235 414 R C 2.024 177.976 176.300 -0.580 0.000 1.127 414 R CA 1.879 57.475 56.100 -0.839 0.000 0.968 414 R CB -0.944 28.763 30.300 -0.989 0.000 0.861 414 R HN 0.470 nan 8.270 nan 0.000 0.440 415 H N -0.999 117.809 119.070 -0.435 0.000 2.457 415 H HA -0.102 4.454 4.556 0.000 0.000 0.294 415 H C 1.611 176.678 175.328 -0.435 0.000 1.064 415 H CA 1.123 56.881 56.048 -0.483 0.000 1.330 415 H CB -0.215 29.195 29.762 -0.586 0.000 1.395 415 H HN 0.274 nan 8.280 nan 0.000 0.541 416 Y N 0.612 120.771 120.300 -0.235 0.000 2.263 416 Y HA -0.061 4.489 4.550 0.000 0.000 0.292 416 Y C 2.837 178.712 175.900 -0.042 0.000 1.130 416 Y CA 0.999 59.088 58.100 -0.018 0.000 1.179 416 Y CB -0.497 38.104 38.460 0.236 0.000 0.998 416 Y HN 0.196 nan 8.280 nan 0.000 0.532 417 G N -0.564 108.291 108.800 0.091 0.000 2.402 417 G HA2 -0.203 3.757 3.960 0.000 0.000 0.216 417 G HA3 -0.203 3.757 3.960 0.000 0.000 0.216 417 G C 1.802 176.308 174.900 -0.656 0.000 1.162 417 G CA 1.247 46.316 45.100 -0.053 0.000 0.777 417 G HN 0.262 nan 8.290 nan 0.000 0.539 418 V N 0.839 120.429 119.914 -0.540 0.000 2.287 418 V HA -0.136 3.984 4.120 0.000 0.000 0.248 418 V C 2.903 178.675 176.094 -0.536 0.000 1.053 418 V CA 1.563 63.501 62.300 -0.603 0.000 1.027 418 V CB -0.375 31.131 31.823 -0.528 0.000 0.646 418 V HN 0.336 nan 8.190 nan 0.000 0.447 419 L N -1.841 119.020 121.223 -0.604 0.000 2.072 419 L HA -0.044 4.296 4.340 0.000 0.000 0.205 419 L C 2.109 178.564 176.870 -0.693 0.000 1.079 419 L CA 1.507 55.863 54.840 -0.807 0.000 0.752 419 L CB -0.276 40.942 42.059 -1.403 0.000 0.906 419 L HN 0.306 nan 8.230 nan 0.000 0.436 420 F N -0.789 119.075 119.950 -0.144 0.000 2.680 420 F HA 0.352 4.880 4.527 0.000 0.000 0.290 420 F C 1.398 177.151 175.800 -0.077 0.000 1.114 420 F CA -0.738 57.226 58.000 -0.060 0.000 1.333 420 F CB -0.607 38.430 39.000 0.062 0.000 1.091 420 F HN -0.214 nan 8.300 nan 0.000 0.606 421 A N 1.896 124.694 122.820 -0.036 0.000 2.498 421 A HA 0.218 4.538 4.320 0.000 0.000 0.239 421 A C 0.746 178.315 177.584 -0.024 0.000 1.068 421 A CA -0.342 51.676 52.037 -0.031 0.000 0.766 421 A CB -0.037 18.888 19.000 -0.125 0.000 1.003 421 A HN 0.350 nan 8.150 nan 0.000 0.497 422 R N 1.541 122.084 120.500 0.072 0.000 2.491 422 R HA 0.423 4.763 4.340 0.000 0.000 0.283 422 R C -0.418 175.935 176.300 0.088 0.000 1.072 422 R CA 0.632 56.774 56.100 0.069 0.000 1.048 422 R CB 0.308 30.653 30.300 0.075 0.000 0.983 422 R HN 0.881 nan 8.270 nan 0.000 0.450 423 A N 4.158 127.022 122.820 0.072 0.000 2.569 423 A HA 0.189 4.509 4.320 0.000 0.000 0.282 423 A C -0.876 176.744 177.584 0.060 0.000 1.165 423 A CA -0.719 51.374 52.037 0.094 0.000 0.747 423 A CB 1.383 20.460 19.000 0.129 0.000 1.215 423 A HN 0.851 nan 8.150 nan 0.000 0.431 424 D N 1.425 121.854 120.400 0.050 0.000 2.368 424 D HA 0.158 4.798 4.640 0.000 0.000 0.218 424 D C 0.495 176.811 176.300 0.026 0.000 1.112 424 D CA 0.790 54.811 54.000 0.036 0.000 0.834 424 D CB 0.273 41.091 40.800 0.030 0.000 0.953 424 D HN 0.763 nan 8.370 nan 0.000 0.505 425 Q N -1.601 118.215 119.800 0.027 0.000 2.575 425 Q HA 0.518 4.858 4.340 0.000 0.000 0.290 425 Q C -3.026 172.963 176.000 -0.018 0.000 0.963 425 Q CA -2.155 53.653 55.803 0.008 0.000 0.783 425 Q CB 1.384 30.136 28.738 0.023 0.000 1.467 425 Q HN -0.262 nan 8.270 nan 0.000 0.402 426 P HA 0.051 nan 4.420 nan 0.000 0.264 426 P C -0.946 176.238 177.300 -0.194 0.000 1.193 426 P CA 0.431 63.364 63.100 -0.278 0.000 0.763 426 P CB -0.084 31.378 31.700 -0.398 0.000 0.810 427 F N 1.008 120.995 119.950 0.062 0.000 3.074 427 F HA -0.175 4.352 4.527 0.000 0.000 0.289 427 F C 1.568 177.403 175.800 0.058 0.000 0.863 427 F CA 1.092 59.125 58.000 0.056 0.000 1.121 427 F CB -2.584 36.435 39.000 0.030 0.000 1.169 427 F HN 0.477 nan 8.300 nan 0.000 0.570 428 G N -1.253 107.662 108.800 0.193 0.000 2.551 428 G HA2 0.131 4.091 3.960 0.000 0.000 0.216 428 G HA3 0.131 4.091 3.960 0.000 0.000 0.216 428 G C 0.074 175.113 174.900 0.233 0.000 1.137 428 G CA 0.538 45.735 45.100 0.162 0.000 0.798 428 G HN 0.335 nan 8.290 nan 0.000 0.536 429 F N 1.097 121.114 119.950 0.111 0.000 2.477 429 F HA 0.678 5.205 4.527 0.000 0.000 0.335 429 F C -1.025 174.871 175.800 0.160 0.000 1.130 429 F CA -1.596 56.474 58.000 0.117 0.000 0.948 429 F CB 1.377 40.433 39.000 0.093 0.000 1.154 429 F HN -0.233 nan 8.300 nan 0.000 0.439 430 L N 6.085 126.984 121.223 -0.540 0.000 2.341 430 L HA 0.708 5.048 4.340 0.000 0.000 0.278 430 L C -0.119 176.435 176.870 -0.527 0.000 1.005 430 L CA -0.534 54.107 54.840 -0.333 0.000 0.818 430 L CB 1.994 43.998 42.059 -0.093 0.000 1.259 430 L HN 0.715 nan 8.230 nan 0.000 0.418 431 T N 0.236 114.634 114.554 -0.260 0.000 2.731 431 T HA 0.300 4.650 4.350 0.000 0.000 0.300 431 T C -1.268 173.269 174.700 -0.271 0.000 1.283 431 T CA -0.367 61.625 62.100 -0.180 0.000 1.005 431 T CB 2.118 70.860 68.868 -0.209 0.000 1.420 431 T HN 0.429 nan 8.240 nan 0.000 0.503 432 S N 0.943 116.245 115.700 -0.662 0.000 2.434 432 S HA 0.605 5.075 4.470 0.000 0.000 0.318 432 S C 0.927 175.397 174.600 -0.217 0.000 1.062 432 S CA -0.004 57.803 58.200 -0.656 0.000 1.116 432 S CB 0.148 62.671 63.200 -1.128 0.000 0.977 432 S HN 0.795 nan 8.310 nan 0.000 0.480 433 A N 4.360 127.135 122.820 -0.075 0.000 1.984 433 A HA 0.326 4.646 4.320 0.000 0.000 0.214 433 A C 1.857 179.388 177.584 -0.088 0.000 1.173 433 A CA 0.975 53.008 52.037 -0.007 0.000 0.673 433 A CB -0.772 18.192 19.000 -0.060 0.000 0.830 433 A HN 0.828 nan 8.150 nan 0.000 0.453 434 G N -1.459 107.284 108.800 -0.095 0.000 2.447 434 G HA2 -0.103 3.857 3.960 0.000 0.000 0.211 434 G HA3 -0.103 3.857 3.960 0.000 0.000 0.211 434 G C 1.670 176.527 174.900 -0.072 0.000 1.184 434 G CA 1.070 46.115 45.100 -0.092 0.000 0.813 434 G HN 0.491 nan 8.290 nan 0.000 0.540 435 C N 0.363 119.626 119.300 -0.061 0.000 2.505 435 C HA 0.312 4.772 4.460 0.000 0.000 0.279 435 C C 1.820 176.784 174.990 -0.043 0.000 1.316 435 C CA 1.168 60.166 59.018 -0.034 0.000 1.720 435 C CB -0.708 27.040 27.740 0.013 0.000 2.050 435 C HN 0.482 nan 8.230 nan 0.000 0.493 436 S N 1.344 116.995 115.700 -0.082 0.000 3.559 436 S HA -0.176 4.294 4.470 0.000 0.000 0.369 436 S C 0.136 174.731 174.600 -0.008 0.000 0.987 436 S CA 0.679 58.834 58.200 -0.075 0.000 1.187 436 S CB -1.702 61.477 63.200 -0.035 0.000 0.914 436 S HN 0.854 nan 8.310 nan 0.000 0.480 437 S N 2.147 117.889 115.700 0.069 0.000 2.510 437 S HA 0.491 4.961 4.470 0.000 0.000 0.279 437 S C 0.599 175.386 174.600 0.311 0.000 1.284 437 S CA -0.797 57.487 58.200 0.139 0.000 1.059 437 S CB -0.053 63.276 63.200 0.214 0.000 0.901 437 S HN 0.511 nan 8.310 nan 0.000 0.491 438 F N 3.758 123.746 119.950 0.064 0.000 2.545 438 F HA 0.530 5.057 4.527 0.000 0.000 0.348 438 F C 1.260 177.134 175.800 0.124 0.000 1.163 438 F CA -0.868 57.207 58.000 0.124 0.000 1.331 438 F CB -1.092 37.981 39.000 0.121 0.000 1.138 438 F HN 0.834 nan 8.300 nan 0.000 0.602 439 G N 2.022 110.979 108.800 0.262 0.000 2.199 439 G HA2 -0.404 3.556 3.960 0.000 0.000 0.254 439 G HA3 -0.404 3.556 3.960 0.000 0.000 0.254 439 G C 0.752 175.926 174.900 0.457 0.000 0.982 439 G CA 0.404 45.618 45.100 0.189 0.000 0.632 439 G HN 1.031 nan 8.290 nan 0.000 0.529 440 Y N 1.661 122.194 120.300 0.390 0.000 2.256 440 Y HA 0.035 4.586 4.550 0.000 0.000 0.288 440 Y C 2.554 178.498 175.900 0.073 0.000 1.155 440 Y CA 2.667 60.910 58.100 0.238 0.000 1.203 440 Y CB -0.504 38.081 38.460 0.208 0.000 0.980 440 Y HN 0.257 nan 8.280 nan 0.000 0.530 441 G N 0.637 109.551 108.800 0.189 0.000 2.459 441 G HA2 -0.296 3.664 3.960 0.000 0.000 0.217 441 G HA3 -0.296 3.664 3.960 0.000 0.000 0.217 441 G C 1.757 176.635 174.900 -0.037 0.000 1.183 441 G CA 1.450 46.610 45.100 0.099 0.000 0.776 441 G HN 0.496 nan 8.290 nan 0.000 0.552 442 I N 1.899 122.456 120.570 -0.021 0.000 2.127 442 I HA -0.130 4.040 4.170 0.000 0.000 0.241 442 I C 0.157 176.177 176.117 -0.162 0.000 1.075 442 I CA 1.390 62.657 61.300 -0.056 0.000 1.334 442 I CB -0.803 37.152 38.000 -0.076 0.000 1.040 442 I HN 0.201 nan 8.210 nan 0.000 0.405 443 P HA -0.173 nan 4.420 nan 0.000 0.217 443 P C 1.355 178.395 177.300 -0.434 0.000 1.150 443 P CA 2.011 64.884 63.100 -0.378 0.000 0.832 443 P CB -0.059 31.323 31.700 -0.530 0.000 0.787 444 A N 0.539 123.029 122.820 -0.550 0.000 1.933 444 A HA -0.035 4.285 4.320 0.000 0.000 0.218 444 A C 2.492 179.912 177.584 -0.274 0.000 1.175 444 A CA 2.070 53.790 52.037 -0.528 0.000 0.628 444 A CB -1.492 17.038 19.000 -0.784 0.000 0.814 444 A HN 0.227 nan 8.150 nan 0.000 0.444 445 A N 0.025 122.735 122.820 -0.183 0.000 1.902 445 A HA -0.066 4.254 4.320 0.000 0.000 0.217 445 A C 2.109 179.650 177.584 -0.072 0.000 1.181 445 A CA 1.446 53.437 52.037 -0.077 0.000 0.623 445 A CB -0.593 18.401 19.000 -0.010 0.000 0.818 445 A HN 0.493 nan 8.150 nan 0.000 0.443 446 I N -0.266 120.242 120.570 -0.103 0.000 2.099 446 I HA -0.255 3.915 4.170 0.000 0.000 0.239 446 I C 2.775 178.840 176.117 -0.087 0.000 1.066 446 I CA 1.345 62.599 61.300 -0.076 0.000 1.324 446 I CB -0.800 37.144 38.000 -0.093 0.000 1.037 446 I HN 0.400 nan 8.210 nan 0.000 0.401 447 G N 0.343 109.025 108.800 -0.197 0.000 2.469 447 G HA2 -0.288 3.672 3.960 0.000 0.000 0.219 447 G HA3 -0.288 3.672 3.960 0.000 0.000 0.219 447 G C 1.817 176.654 174.900 -0.105 0.000 1.150 447 G CA 0.991 45.972 45.100 -0.197 0.000 0.763 447 G HN 0.526 nan 8.290 nan 0.000 0.561 448 A N -0.063 122.696 122.820 -0.102 0.000 1.898 448 A HA -0.029 4.291 4.320 0.000 0.000 0.216 448 A C 2.319 179.892 177.584 -0.018 0.000 1.181 448 A CA 2.184 54.188 52.037 -0.055 0.000 0.620 448 A CB -0.425 18.546 19.000 -0.049 0.000 0.819 448 A HN 0.405 nan 8.150 nan 0.000 0.442 449 Q N -0.453 119.342 119.800 -0.009 0.000 2.119 449 Q HA -0.039 4.301 4.340 0.000 0.000 0.201 449 Q C 1.976 177.987 176.000 0.020 0.000 0.972 449 Q CA 1.923 57.734 55.803 0.014 0.000 0.847 449 Q CB -0.400 28.354 28.738 0.027 0.000 0.903 449 Q HN 0.685 nan 8.270 nan 0.000 0.433 450 M N -1.011 118.603 119.600 0.024 0.000 2.175 450 M HA -0.080 4.400 4.480 0.000 0.000 0.264 450 M C 2.042 178.361 176.300 0.031 0.000 1.063 450 M CA 1.370 56.695 55.300 0.041 0.000 1.119 450 M CB -0.225 32.429 32.600 0.090 0.000 1.377 450 M HN 0.316 nan 8.290 nan 0.000 0.415 451 A N 0.372 123.203 122.820 0.018 0.000 1.968 451 A HA -0.030 4.290 4.320 0.000 0.000 0.217 451 A C 1.229 178.824 177.584 0.019 0.000 1.169 451 A CA 1.062 53.107 52.037 0.014 0.000 0.638 451 A CB -0.122 18.876 19.000 -0.004 0.000 0.812 451 A HN 0.437 nan 8.150 nan 0.000 0.446 452 R N -0.583 119.927 120.500 0.017 0.000 2.681 452 R HA 0.197 4.537 4.340 0.000 0.000 0.277 452 R C -2.243 174.067 176.300 0.017 0.000 1.563 452 R CA -1.434 54.677 56.100 0.019 0.000 1.673 452 R CB 1.038 31.350 30.300 0.019 0.000 1.258 452 R HN 0.261 nan 8.270 nan 0.000 0.650 453 P HA -0.140 nan 4.420 nan 0.000 0.220 453 P C -0.049 177.262 177.300 0.019 0.000 1.148 453 P CA 1.196 64.307 63.100 0.019 0.000 0.803 453 P CB 0.400 32.110 31.700 0.017 0.000 0.782 454 D N -0.837 119.572 120.400 0.016 0.000 2.368 454 D HA 0.098 4.738 4.640 0.000 0.000 0.218 454 D C 0.647 176.953 176.300 0.010 0.000 1.112 454 D CA 0.289 54.297 54.000 0.014 0.000 0.834 454 D CB 0.400 41.207 40.800 0.012 0.000 0.953 454 D HN 0.369 nan 8.370 nan 0.000 0.505 455 Q N 0.832 120.637 119.800 0.007 0.000 2.306 455 Q HA 0.414 4.754 4.340 0.000 0.000 0.265 455 Q C -2.574 173.417 176.000 -0.015 0.000 1.022 455 Q CA -2.026 53.772 55.803 -0.008 0.000 0.853 455 Q CB 2.153 30.885 28.738 -0.009 0.000 1.327 455 Q HN -0.121 nan 8.270 nan 0.000 0.449 456 P HA 0.077 nan 4.420 nan 0.000 0.271 456 P C -1.064 176.162 177.300 -0.124 0.000 1.216 456 P CA -0.054 62.999 63.100 -0.078 0.000 0.776 456 P CB 0.678 32.251 31.700 -0.212 0.000 0.881 457 T N 3.769 118.331 114.554 0.013 0.000 2.847 457 T HA 0.514 4.864 4.350 0.000 0.000 0.291 457 T C -0.712 174.183 174.700 0.326 0.000 0.998 457 T CA -0.193 61.946 62.100 0.065 0.000 0.967 457 T CB 0.045 68.958 68.868 0.075 0.000 0.954 457 T HN 0.042 nan 8.240 nan 0.000 0.441 458 F N 2.749 122.732 119.950 0.056 0.000 2.450 458 F HA 0.711 5.238 4.527 0.000 0.000 0.332 458 F C -0.080 175.754 175.800 0.056 0.000 1.093 458 F CA -2.189 55.846 58.000 0.058 0.000 1.003 458 F CB 1.378 40.420 39.000 0.070 0.000 1.151 458 F HN 0.309 nan 8.300 nan 0.000 0.474 459 L N 4.747 126.103 121.223 0.221 0.000 2.346 459 L HA 0.670 5.010 4.340 0.000 0.000 0.276 459 L C -1.252 175.661 176.870 0.071 0.000 1.006 459 L CA -0.500 54.421 54.840 0.136 0.000 0.817 459 L CB 1.555 43.674 42.059 0.099 0.000 1.272 459 L HN 0.599 nan 8.230 nan 0.000 0.421 460 I N 4.736 125.370 120.570 0.107 0.000 2.433 460 I HA 0.852 5.022 4.170 0.000 0.000 0.292 460 I C -0.848 175.251 176.117 -0.031 0.000 1.001 460 I CA -0.242 61.060 61.300 0.003 0.000 1.119 460 I CB 1.418 39.479 38.000 0.100 0.000 1.289 460 I HN 0.896 nan 8.210 nan 0.000 0.438 461 A N 4.845 127.440 122.820 -0.374 0.000 2.556 461 A HA 0.842 5.162 4.320 0.000 0.000 0.294 461 A C -0.574 176.466 177.584 -0.906 0.000 1.091 461 A CA -0.419 51.346 52.037 -0.452 0.000 0.704 461 A CB 1.404 20.410 19.000 0.010 0.000 1.300 461 A HN 0.794 nan 8.150 nan 0.000 0.406 462 G N -0.454 107.876 108.800 -0.784 0.000 2.488 462 G HA2 0.452 4.412 3.960 0.000 0.000 0.318 462 G HA3 0.452 4.412 3.960 0.000 0.000 0.318 462 G C 0.394 175.199 174.900 -0.159 0.000 1.188 462 G CA 0.295 45.148 45.100 -0.413 0.000 0.944 462 G HN 0.797 nan 8.290 nan 0.000 0.495 463 D N 0.016 120.348 120.400 -0.114 0.000 2.144 463 D HA -0.114 4.526 4.640 0.000 0.000 0.199 463 D C 2.120 178.506 176.300 0.142 0.000 0.984 463 D CA 1.357 55.324 54.000 -0.056 0.000 0.834 463 D CB -0.694 40.199 40.800 0.156 0.000 0.955 463 D HN 0.470 nan 8.370 nan 0.000 0.465 464 G N 0.996 109.949 108.800 0.255 0.000 2.453 464 G HA2 -0.174 3.786 3.960 0.000 0.000 0.215 464 G HA3 -0.174 3.786 3.960 0.000 0.000 0.215 464 G C 1.794 176.705 174.900 0.018 0.000 1.201 464 G CA 1.271 46.547 45.100 0.293 0.000 0.784 464 G HN 0.471 nan 8.290 nan 0.000 0.545 465 G N 0.056 108.931 108.800 0.124 0.000 2.402 465 G HA2 -0.135 3.825 3.960 0.000 0.000 0.216 465 G HA3 -0.135 3.825 3.960 0.000 0.000 0.216 465 G C 1.656 176.478 174.900 -0.131 0.000 1.162 465 G CA 0.852 45.898 45.100 -0.091 0.000 0.777 465 G HN 0.321 nan 8.290 nan 0.000 0.539 466 F N 0.952 120.834 119.950 -0.113 0.000 2.095 466 F HA -0.104 4.423 4.527 0.000 0.000 0.298 466 F C 2.455 178.236 175.800 -0.031 0.000 1.104 466 F CA 2.006 59.941 58.000 -0.108 0.000 1.232 466 F CB -0.271 38.582 39.000 -0.244 0.000 0.987 466 F HN 0.261 nan 8.300 nan 0.000 0.475 467 H N -0.258 118.791 119.070 -0.035 0.000 2.495 467 H HA -0.022 4.534 4.556 0.000 0.000 0.287 467 H C 2.424 177.578 175.328 -0.290 0.000 1.033 467 H CA 1.085 57.088 56.048 -0.074 0.000 1.307 467 H CB -0.395 29.399 29.762 0.054 0.000 1.401 467 H HN 0.340 nan 8.280 nan 0.000 0.555 468 S N -1.029 114.399 115.700 -0.455 0.000 2.442 468 S HA -0.132 4.338 4.470 0.000 0.000 0.236 468 S C 1.444 175.767 174.600 -0.462 0.000 1.007 468 S CA 1.403 59.247 58.200 -0.594 0.000 0.965 468 S CB -0.023 62.462 63.200 -1.192 0.000 0.773 468 S HN 0.416 nan 8.310 nan 0.000 0.504 469 N N 0.201 118.653 118.700 -0.412 0.000 2.466 469 N HA 0.226 4.966 4.740 0.000 0.000 0.272 469 N C 0.798 176.081 175.510 -0.377 0.000 1.455 469 N CA 0.538 53.403 53.050 -0.309 0.000 0.875 469 N CB 0.658 39.072 38.487 -0.120 0.000 1.372 469 N HN 0.379 nan 8.380 nan 0.000 0.492 470 S N -2.094 113.338 115.700 -0.447 0.000 2.489 470 S HA 0.007 4.478 4.470 0.000 0.000 0.228 470 S C 1.691 176.150 174.600 -0.235 0.000 0.995 470 S CA 0.544 58.437 58.200 -0.512 0.000 0.934 470 S CB -0.083 62.984 63.200 -0.221 0.000 0.771 470 S HN 0.124 nan 8.310 nan 0.000 0.522 471 S N 2.147 117.748 115.700 -0.165 0.000 2.419 471 S HA -0.074 4.396 4.470 0.000 0.000 0.233 471 S C 1.218 175.792 174.600 -0.044 0.000 1.016 471 S CA 1.073 59.228 58.200 -0.075 0.000 0.974 471 S CB -0.425 62.742 63.200 -0.054 0.000 0.786 471 S HN 0.553 nan 8.310 nan 0.000 0.492 472 D N 1.098 121.459 120.400 -0.065 0.000 2.352 472 D HA 0.092 4.732 4.640 0.000 0.000 0.232 472 D C 1.486 177.773 176.300 -0.023 0.000 1.055 472 D CA 0.090 54.071 54.000 -0.033 0.000 0.891 472 D CB -0.041 40.737 40.800 -0.037 0.000 0.897 472 D HN 0.354 nan 8.370 nan 0.000 0.529 473 L N 0.775 121.985 121.223 -0.021 0.000 2.081 473 L HA -0.191 4.149 4.340 0.000 0.000 0.212 473 L C 2.538 179.430 176.870 0.037 0.000 1.080 473 L CA 1.142 56.005 54.840 0.037 0.000 0.754 473 L CB -0.221 41.886 42.059 0.081 0.000 0.893 473 L HN 0.006 nan 8.230 nan 0.000 0.433 474 E N -0.227 119.989 120.200 0.026 0.000 2.153 474 E HA -0.185 4.165 4.350 0.000 0.000 0.194 474 E C 1.942 178.559 176.600 0.029 0.000 0.988 474 E CA 1.769 58.187 56.400 0.028 0.000 0.811 474 E CB 0.047 29.762 29.700 0.025 0.000 0.746 474 E HN 0.446 nan 8.360 nan 0.000 0.466 475 T N 1.377 115.946 114.554 0.025 0.000 2.777 475 T HA -0.050 4.300 4.350 0.000 0.000 0.266 475 T C 2.086 176.803 174.700 0.029 0.000 1.040 475 T CA 1.139 63.256 62.100 0.027 0.000 1.141 475 T CB -0.137 68.745 68.868 0.024 0.000 0.868 475 T HN 0.171 nan 8.240 nan 0.000 0.444 476 I N 1.358 121.946 120.570 0.030 0.000 2.226 476 I HA -0.205 3.965 4.170 0.000 0.000 0.245 476 I C 2.914 179.056 176.117 0.043 0.000 1.100 476 I CA 1.168 62.491 61.300 0.039 0.000 1.374 476 I CB -0.460 37.569 38.000 0.049 0.000 1.057 476 I HN 0.206 nan 8.210 nan 0.000 0.413 477 A N 0.781 123.626 122.820 0.043 0.000 1.873 477 A HA -0.248 4.072 4.320 0.000 0.000 0.215 477 A C 2.410 180.014 177.584 0.034 0.000 1.186 477 A CA 1.849 53.911 52.037 0.042 0.000 0.616 477 A CB -0.641 18.384 19.000 0.042 0.000 0.823 477 A HN 0.363 nan 8.150 nan 0.000 0.442 478 R N -0.177 120.341 120.500 0.030 0.000 2.083 478 R HA -0.047 4.293 4.340 0.000 0.000 0.237 478 R C 1.595 177.907 176.300 0.021 0.000 1.137 478 R CA 1.711 57.826 56.100 0.025 0.000 0.951 478 R CB -0.414 29.900 30.300 0.024 0.000 0.851 478 R HN 0.493 nan 8.270 nan 0.000 0.434 479 L N 0.683 121.920 121.223 0.023 0.000 2.554 479 L HA 0.051 4.391 4.340 0.000 0.000 0.226 479 L C 0.423 177.307 176.870 0.024 0.000 1.137 479 L CA 0.077 54.929 54.840 0.019 0.000 0.863 479 L CB -0.522 41.550 42.059 0.022 0.000 0.985 479 L HN 0.354 nan 8.230 nan 0.000 0.451 480 N N 1.133 119.851 118.700 0.030 0.000 2.714 480 N HA -0.212 4.528 4.740 0.000 0.000 0.252 480 N C -0.560 174.973 175.510 0.039 0.000 1.014 480 N CA 0.435 53.506 53.050 0.035 0.000 0.735 480 N CB -1.148 37.356 38.487 0.029 0.000 0.924 480 N HN 0.280 nan 8.380 nan 0.000 0.540 481 L N 0.652 121.901 121.223 0.043 0.000 2.278 481 L HA 0.329 4.669 4.340 0.000 0.000 0.287 481 L C -1.300 175.608 176.870 0.063 0.000 1.072 481 L CA -1.675 53.194 54.840 0.048 0.000 0.819 481 L CB 0.882 42.967 42.059 0.044 0.000 1.176 481 L HN 0.082 nan 8.230 nan 0.000 0.435 482 P HA 0.094 nan 4.420 nan 0.000 0.249 482 P C -0.003 177.368 177.300 0.118 0.000 1.686 482 P CA 0.076 63.228 63.100 0.086 0.000 0.873 482 P CB -0.362 31.382 31.700 0.073 0.000 1.828 483 I N 0.145 120.783 120.570 0.115 0.000 2.496 483 I HA 0.039 4.209 4.170 0.000 0.000 0.285 483 I C 0.632 176.838 176.117 0.149 0.000 1.080 483 I CA -0.379 61.005 61.300 0.140 0.000 1.404 483 I CB 1.060 39.122 38.000 0.103 0.000 1.403 483 I HN -0.162 nan 8.210 nan 0.000 0.539 484 V N 5.696 125.718 119.914 0.179 0.000 2.333 484 V HA 0.244 4.364 4.120 0.000 0.000 0.274 484 V C 0.189 176.272 176.094 -0.017 0.000 1.028 484 V CA -0.445 61.887 62.300 0.054 0.000 0.851 484 V CB 0.979 32.706 31.823 -0.161 0.000 1.000 484 V HN 0.726 nan 8.190 nan 0.000 0.456 485 T N 4.839 119.356 114.554 -0.062 0.000 2.795 485 T HA 0.518 4.868 4.350 0.000 0.000 0.282 485 T C -0.168 174.381 174.700 -0.251 0.000 0.980 485 T CA -0.324 61.699 62.100 -0.129 0.000 1.012 485 T CB 1.573 70.365 68.868 -0.126 0.000 0.936 485 T HN 0.337 nan 8.240 nan 0.000 0.457 486 V N 4.370 124.129 119.914 -0.258 0.000 2.370 486 V HA 0.356 4.476 4.120 0.000 0.000 0.283 486 V C -0.066 175.755 176.094 -0.454 0.000 1.023 486 V CA -0.756 61.355 62.300 -0.315 0.000 0.857 486 V CB 1.569 33.257 31.823 -0.225 0.000 0.985 486 V HN 0.706 nan 8.190 nan 0.000 0.443 487 V N 6.103 125.674 119.914 -0.571 0.000 2.333 487 V HA 0.303 4.423 4.120 0.000 0.000 0.274 487 V C 0.110 175.875 176.094 -0.548 0.000 1.028 487 V CA -0.665 61.186 62.300 -0.747 0.000 0.851 487 V CB 1.619 32.757 31.823 -1.142 0.000 1.000 487 V HN 0.727 nan 8.190 nan 0.000 0.456 488 V N 2.310 121.914 119.914 -0.516 0.000 2.389 488 V HA 0.554 4.674 4.120 0.000 0.000 0.264 488 V C -0.043 175.871 176.094 -0.300 0.000 1.049 488 V CA -0.324 61.754 62.300 -0.369 0.000 0.932 488 V CB 1.014 32.643 31.823 -0.324 0.000 1.011 488 V HN 0.764 nan 8.190 nan 0.000 0.475 489 N N 4.777 123.346 118.700 -0.219 0.000 2.417 489 N HA 0.420 5.160 4.740 0.000 0.000 0.274 489 N C 0.099 175.576 175.510 -0.055 0.000 0.987 489 N CA -0.455 52.534 53.050 -0.101 0.000 0.912 489 N CB 1.538 40.013 38.487 -0.021 0.000 1.177 489 N HN 0.897 nan 8.380 nan 0.000 0.490 490 N N 2.047 120.756 118.700 0.013 0.000 2.241 490 N HA 0.091 4.832 4.740 0.000 0.000 0.238 490 N C -1.013 174.558 175.510 0.102 0.000 1.244 490 N CA -0.212 52.843 53.050 0.007 0.000 0.880 490 N CB 0.043 38.472 38.487 -0.095 0.000 1.179 490 N HN 0.353 nan 8.380 nan 0.000 0.513 491 D N -0.103 120.409 120.400 0.186 0.000 2.811 491 D HA -0.139 4.501 4.640 0.000 0.000 0.231 491 D C -0.948 175.524 176.300 0.287 0.000 1.157 491 D CA 1.357 55.521 54.000 0.273 0.000 0.716 491 D CB -1.756 39.139 40.800 0.158 0.000 1.077 491 D HN 0.484 nan 8.370 nan 0.000 0.428 492 T N -0.152 114.594 114.554 0.319 0.000 2.932 492 T HA 0.255 4.605 4.350 0.000 0.000 0.318 492 T C -0.187 174.670 174.700 0.262 0.000 1.265 492 T CA -0.885 61.277 62.100 0.103 0.000 1.036 492 T CB 1.406 70.332 68.868 0.096 0.000 1.209 492 T HN -0.163 nan 8.240 nan 0.000 0.484 493 N N 1.883 120.636 118.700 0.089 0.000 2.549 493 N HA 0.202 4.942 4.740 0.000 0.000 0.267 493 N C 1.408 177.041 175.510 0.206 0.000 1.182 493 N CA 0.000 53.208 53.050 0.263 0.000 1.019 493 N CB 0.882 39.504 38.487 0.225 0.000 1.380 493 N HN 0.889 nan 8.380 nan 0.000 0.505 494 G N 1.349 110.323 108.800 0.289 0.000 2.404 494 G HA2 -0.222 3.738 3.960 0.000 0.000 0.215 494 G HA3 -0.222 3.738 3.960 0.000 0.000 0.215 494 G C 1.445 176.397 174.900 0.086 0.000 1.174 494 G CA 0.237 45.488 45.100 0.253 0.000 0.780 494 G HN 0.460 nan 8.290 nan 0.000 0.537 495 L N 0.958 122.254 121.223 0.122 0.000 2.079 495 L HA -0.063 4.277 4.340 0.000 0.000 0.210 495 L C 2.485 179.459 176.870 0.173 0.000 1.081 495 L CA 1.289 56.179 54.840 0.082 0.000 0.752 495 L CB -0.365 41.825 42.059 0.219 0.000 0.896 495 L HN 0.124 nan 8.230 nan 0.000 0.433 496 I N -0.613 120.079 120.570 0.203 0.000 2.353 496 I HA -0.216 3.954 4.170 0.000 0.000 0.248 496 I C 2.489 178.694 176.117 0.148 0.000 1.119 496 I CA 1.105 62.531 61.300 0.211 0.000 1.417 496 I CB -1.428 36.653 38.000 0.135 0.000 1.078 496 I HN 0.458 nan 8.210 nan 0.000 0.421 497 E N 0.943 121.191 120.200 0.080 0.000 2.077 497 E HA -0.252 4.098 4.350 0.000 0.000 0.193 497 E C 2.278 178.884 176.600 0.010 0.000 0.989 497 E CA 0.993 57.419 56.400 0.044 0.000 0.800 497 E CB -0.030 29.689 29.700 0.032 0.000 0.746 497 E HN 0.281 nan 8.360 nan 0.000 0.452 498 L N 0.294 121.474 121.223 -0.072 0.000 1.989 498 L HA -0.224 4.116 4.340 0.000 0.000 0.211 498 L C 1.989 178.775 176.870 -0.140 0.000 1.071 498 L CA 1.864 56.591 54.840 -0.187 0.000 0.749 498 L CB -0.851 40.960 42.059 -0.413 0.000 0.890 498 L HN 0.211 nan 8.230 nan 0.000 0.431 499 Y N 0.180 120.475 120.300 -0.008 0.000 2.165 499 Y HA -0.288 4.262 4.550 0.000 0.000 0.286 499 Y C 2.754 178.674 175.900 0.032 0.000 1.155 499 Y CA 1.975 60.082 58.100 0.011 0.000 1.164 499 Y CB -0.606 37.872 38.460 0.030 0.000 0.978 499 Y HN 0.382 nan 8.280 nan 0.000 0.513 500 Q N -0.251 119.671 119.800 0.204 0.000 2.112 500 Q HA -0.232 4.108 4.340 0.000 0.000 0.206 500 Q C 2.003 178.098 176.000 0.158 0.000 0.987 500 Q CA 1.538 57.461 55.803 0.200 0.000 0.858 500 Q CB -0.284 28.523 28.738 0.115 0.000 0.905 500 Q HN 0.557 nan 8.270 nan 0.000 0.420 501 N N 0.399 119.136 118.700 0.063 0.000 2.142 501 N HA -0.089 4.651 4.740 0.000 0.000 0.186 501 N C 1.920 177.383 175.510 -0.079 0.000 1.023 501 N CA 0.930 53.991 53.050 0.019 0.000 0.852 501 N CB -0.070 38.425 38.487 0.014 0.000 0.998 501 N HN 0.227 nan 8.380 nan 0.000 0.424 502 I N 0.800 121.313 120.570 -0.094 0.000 2.163 502 I HA -0.202 3.968 4.170 0.000 0.000 0.243 502 I C 2.432 178.393 176.117 -0.260 0.000 1.085 502 I CA 1.468 62.675 61.300 -0.154 0.000 1.347 502 I CB -0.432 37.496 38.000 -0.118 0.000 1.044 502 I HN 0.157 nan 8.210 nan 0.000 0.408 503 G N -1.190 107.497 108.800 -0.189 0.000 2.426 503 G HA2 -0.096 3.864 3.960 0.000 0.000 0.214 503 G HA3 -0.096 3.864 3.960 0.000 0.000 0.214 503 G C 1.364 175.908 174.900 -0.594 0.000 1.156 503 G CA 0.331 45.211 45.100 -0.366 0.000 0.802 503 G HN 0.434 nan 8.290 nan 0.000 0.534 504 H N -1.396 117.558 119.070 -0.194 0.000 3.058 504 H HA 0.142 4.698 4.556 0.000 0.000 0.266 504 H C 0.400 175.701 175.328 -0.045 0.000 1.135 504 H CA 0.070 56.054 56.048 -0.107 0.000 1.174 504 H CB 0.677 30.419 29.762 -0.034 0.000 1.581 504 H HN 0.352 nan 8.280 nan 0.000 0.553 505 H N 0.565 119.693 119.070 0.096 0.000 2.958 505 H HA -0.159 4.397 4.556 0.000 0.000 0.274 505 H C 0.459 175.827 175.328 0.066 0.000 1.184 505 H CA 1.417 57.501 56.048 0.059 0.000 1.143 505 H CB -1.082 28.702 29.762 0.035 0.000 1.297 505 H HN 0.583 nan 8.280 nan 0.000 0.356 506 R N -1.565 119.028 120.500 0.155 0.000 2.712 506 R HA 0.643 4.983 4.340 0.000 0.000 0.272 506 R C -1.102 175.252 176.300 0.089 0.000 1.032 506 R CA -0.714 55.453 56.100 0.111 0.000 0.874 506 R CB 1.150 31.510 30.300 0.099 0.000 1.256 506 R HN -0.038 nan 8.270 nan 0.000 0.468 507 S N -0.118 115.626 115.700 0.073 0.000 2.672 507 S HA 0.339 4.809 4.470 0.000 0.000 0.276 507 S C -0.977 173.684 174.600 0.102 0.000 1.207 507 S CA -0.467 57.773 58.200 0.066 0.000 1.002 507 S CB 0.662 63.886 63.200 0.040 0.000 0.998 507 S HN 0.646 nan 8.310 nan 0.000 0.542 508 H N 0.460 119.508 119.070 -0.037 0.000 3.177 508 H HA 0.336 4.892 4.556 0.000 0.000 0.314 508 H C -0.289 175.012 175.328 -0.046 0.000 1.059 508 H CA -0.579 55.440 56.048 -0.048 0.000 1.515 508 H CB 0.253 29.967 29.762 -0.079 0.000 1.672 508 H HN 0.436 nan 8.280 nan 0.000 0.514 509 D N 4.622 124.829 120.400 -0.321 0.000 2.149 509 D HA -0.103 4.537 4.640 0.000 0.000 0.198 509 D C -0.797 175.316 176.300 -0.312 0.000 0.990 509 D CA 0.818 54.663 54.000 -0.258 0.000 0.839 509 D CB -0.866 39.830 40.800 -0.173 0.000 0.948 509 D HN 0.541 nan 8.370 nan 0.000 0.460 510 P HA -0.065 nan 4.420 nan 0.000 0.222 510 P C 0.724 177.929 177.300 -0.159 0.000 1.142 510 P CA 1.346 64.278 63.100 -0.279 0.000 0.788 510 P CB 0.047 31.579 31.700 -0.279 0.000 0.767 511 A N -1.340 121.391 122.820 -0.149 0.000 2.220 511 A HA 0.143 4.463 4.320 0.000 0.000 0.211 511 A C 1.670 179.204 177.584 -0.083 0.000 1.176 511 A CA 1.011 53.026 52.037 -0.038 0.000 0.834 511 A CB -0.376 18.664 19.000 0.066 0.000 0.868 511 A HN 0.186 nan 8.150 nan 0.000 0.488 512 V N -5.660 114.154 119.914 -0.167 0.000 3.359 512 V HA 0.346 4.466 4.120 0.000 0.000 0.270 512 V C -0.122 175.679 176.094 -0.487 0.000 1.583 512 V CA -0.336 61.821 62.300 -0.239 0.000 1.019 512 V CB -0.101 31.660 31.823 -0.104 0.000 0.831 512 V HN 0.052 nan 8.190 nan 0.000 0.426 513 K N 1.597 121.752 120.400 -0.408 0.000 2.156 513 K HA 0.638 4.958 4.320 0.000 0.000 0.271 513 K C -1.158 175.193 176.600 -0.415 0.000 0.995 513 K CA -0.244 55.817 56.287 -0.376 0.000 0.890 513 K CB 1.664 34.066 32.500 -0.163 0.000 1.073 513 K HN 0.302 nan 8.250 nan 0.000 0.454 514 F N -0.583 119.400 119.950 0.055 0.000 2.509 514 F HA 0.488 5.015 4.527 0.000 0.000 0.334 514 F C 1.449 177.265 175.800 0.027 0.000 1.060 514 F CA -0.813 57.217 58.000 0.051 0.000 0.997 514 F CB 0.504 39.552 39.000 0.079 0.000 1.271 514 F HN 0.556 nan 8.300 nan 0.000 0.488 515 G N -0.668 108.274 108.800 0.237 0.000 2.563 515 G HA2 0.456 4.416 3.960 0.000 0.000 0.283 515 G HA3 0.456 4.416 3.960 0.000 0.000 0.283 515 G C -0.157 174.791 174.900 0.081 0.000 1.309 515 G CA -0.498 44.669 45.100 0.111 0.000 1.022 515 G HN 0.880 nan 8.290 nan 0.000 0.501 516 G N -1.724 107.084 108.800 0.013 0.000 2.403 516 G HA2 0.451 4.411 3.960 0.000 0.000 0.259 516 G HA3 0.451 4.411 3.960 0.000 0.000 0.259 516 G C -0.741 174.071 174.900 -0.146 0.000 1.244 516 G CA -0.119 44.958 45.100 -0.039 0.000 0.849 516 G HN 0.579 nan 8.290 nan 0.000 0.532 517 V N 2.782 122.532 119.914 -0.275 0.000 2.540 517 V HA 0.234 4.354 4.120 0.000 0.000 0.302 517 V C -0.708 175.018 176.094 -0.613 0.000 1.035 517 V CA -0.901 61.045 62.300 -0.590 0.000 0.873 517 V CB 1.946 33.083 31.823 -1.145 0.000 0.992 517 V HN 0.771 nan 8.190 nan 0.000 0.428 518 D N 3.293 123.413 120.400 -0.466 0.000 2.411 518 D HA 0.270 4.910 4.640 0.000 0.000 0.225 518 D C 0.452 176.544 176.300 -0.346 0.000 1.156 518 D CA -0.156 53.666 54.000 -0.297 0.000 0.874 518 D CB 0.775 41.473 40.800 -0.171 0.000 1.034 518 D HN 0.362 nan 8.370 nan 0.000 0.502 519 F N 2.259 122.124 119.950 -0.141 0.000 2.456 519 F HA -0.083 4.444 4.527 0.000 0.000 0.298 519 F C 2.288 178.010 175.800 -0.130 0.000 1.104 519 F CA 0.122 58.040 58.000 -0.136 0.000 1.435 519 F CB -0.047 38.835 39.000 -0.197 0.000 1.078 519 F HN 0.284 nan 8.300 nan 0.000 0.546 520 V N -0.026 119.892 119.914 0.008 0.000 2.270 520 V HA -0.289 3.831 4.120 0.000 0.000 0.245 520 V C 2.599 178.664 176.094 -0.048 0.000 1.043 520 V CA 1.917 64.183 62.300 -0.056 0.000 1.014 520 V CB -1.292 30.487 31.823 -0.073 0.000 0.645 520 V HN 0.327 nan 8.190 nan 0.000 0.447 521 A N -0.523 122.263 122.820 -0.056 0.000 1.972 521 A HA -0.173 4.147 4.320 0.000 0.000 0.219 521 A C 2.162 179.723 177.584 -0.038 0.000 1.169 521 A CA 1.898 53.904 52.037 -0.051 0.000 0.635 521 A CB -0.544 18.417 19.000 -0.066 0.000 0.810 521 A HN 0.448 nan 8.150 nan 0.000 0.446 522 L N -0.277 120.918 121.223 -0.046 0.000 2.017 522 L HA -0.120 4.221 4.340 0.000 0.000 0.208 522 L C 2.792 179.694 176.870 0.054 0.000 1.073 522 L CA 2.124 56.964 54.840 -0.002 0.000 0.745 522 L CB -0.575 41.482 42.059 -0.003 0.000 0.894 522 L HN 0.353 nan 8.230 nan 0.000 0.432 523 A N -0.894 121.966 122.820 0.066 0.000 1.877 523 A HA -0.231 4.089 4.320 0.000 0.000 0.216 523 A C 2.150 179.750 177.584 0.026 0.000 1.186 523 A CA 1.909 53.980 52.037 0.058 0.000 0.620 523 A CB -0.645 18.357 19.000 0.003 0.000 0.822 523 A HN 0.613 nan 8.150 nan 0.000 0.443 524 E N -0.295 119.907 120.200 0.003 0.000 2.150 524 E HA -0.059 4.292 4.350 0.000 0.000 0.193 524 E C 2.213 178.819 176.600 0.011 0.000 0.985 524 E CA 0.737 57.140 56.400 0.005 0.000 0.814 524 E CB -0.271 29.426 29.700 -0.005 0.000 0.752 524 E HN 0.621 nan 8.360 nan 0.000 0.466 525 A N 1.804 124.630 122.820 0.009 0.000 2.019 525 A HA -0.147 4.173 4.320 0.000 0.000 0.219 525 A C 1.771 179.366 177.584 0.019 0.000 1.164 525 A CA 1.041 53.084 52.037 0.010 0.000 0.644 525 A CB -0.235 18.768 19.000 0.005 0.000 0.805 525 A HN 0.140 nan 8.150 nan 0.000 0.449 526 N N -0.959 117.758 118.700 0.028 0.000 2.336 526 N HA 0.124 4.864 4.740 0.000 0.000 0.189 526 N C 0.972 176.502 175.510 0.033 0.000 1.113 526 N CA 0.844 53.913 53.050 0.033 0.000 0.858 526 N CB 0.417 38.931 38.487 0.045 0.000 0.970 526 N HN 0.607 nan 8.380 nan 0.000 0.471 527 G N 0.598 109.416 108.800 0.030 0.000 2.136 527 G HA2 -0.238 3.722 3.960 0.000 0.000 0.242 527 G HA3 -0.238 3.722 3.960 0.000 0.000 0.242 527 G C -0.159 174.766 174.900 0.042 0.000 0.989 527 G CA -0.047 45.072 45.100 0.033 0.000 0.682 527 G HN 0.157 nan 8.290 nan 0.000 0.522 528 V N 1.172 121.110 119.914 0.041 0.000 2.398 528 V HA 0.419 4.539 4.120 0.000 0.000 0.286 528 V C 0.098 176.212 176.094 0.033 0.000 1.026 528 V CA -1.160 61.169 62.300 0.048 0.000 0.868 528 V CB 1.653 33.503 31.823 0.046 0.000 0.982 528 V HN 0.236 nan 8.190 nan 0.000 0.443 529 D N 3.534 123.986 120.400 0.087 0.000 2.443 529 D HA 0.567 5.207 4.640 0.000 0.000 0.239 529 D C 0.161 176.390 176.300 -0.119 0.000 1.136 529 D CA 0.638 54.709 54.000 0.118 0.000 0.879 529 D CB 1.555 42.551 40.800 0.327 0.000 1.195 529 D HN 0.853 nan 8.370 nan 0.000 0.443 530 A N 1.260 123.944 122.820 -0.227 0.000 2.609 530 A HA 0.725 5.045 4.320 0.000 0.000 0.291 530 A C -0.566 176.800 177.584 -0.363 0.000 1.096 530 A CA -0.596 51.109 52.037 -0.553 0.000 0.684 530 A CB 2.337 21.150 19.000 -0.311 0.000 1.282 530 A HN 0.410 nan 8.150 nan 0.000 0.412 531 T N -0.527 113.777 114.554 -0.416 0.000 2.853 531 T HA 0.586 4.936 4.350 0.000 0.000 0.311 531 T C -1.140 173.472 174.700 -0.147 0.000 1.307 531 T CA -0.523 61.486 62.100 -0.152 0.000 1.019 531 T CB 1.406 70.296 68.868 0.038 0.000 1.264 531 T HN 0.840 nan 8.240 nan 0.000 0.497 532 R N 1.358 121.810 120.500 -0.081 0.000 2.368 532 R HA 0.789 5.129 4.340 0.000 0.000 0.302 532 R C -1.107 175.158 176.300 -0.059 0.000 1.002 532 R CA -0.450 55.603 56.100 -0.077 0.000 0.929 532 R CB 1.033 31.299 30.300 -0.057 0.000 1.073 532 R HN 0.671 nan 8.270 nan 0.000 0.464 533 A N 2.256 125.032 122.820 -0.073 0.000 2.359 533 A HA 0.330 4.650 4.320 0.000 0.000 0.303 533 A C 0.183 177.727 177.584 -0.067 0.000 1.066 533 A CA -0.632 51.370 52.037 -0.059 0.000 0.730 533 A CB 1.507 20.471 19.000 -0.060 0.000 1.211 533 A HN 0.880 nan 8.150 nan 0.000 0.439 534 T N -1.442 113.081 114.554 -0.052 0.000 3.044 534 T HA 0.295 4.645 4.350 0.000 0.000 0.260 534 T C 0.231 174.904 174.700 -0.044 0.000 1.019 534 T CA 0.426 62.495 62.100 -0.051 0.000 0.921 534 T CB -0.613 68.231 68.868 -0.039 0.000 1.053 534 T HN 0.908 nan 8.240 nan 0.000 0.533 535 N N -0.397 118.277 118.700 -0.043 0.000 2.934 535 N HA 0.396 5.136 4.740 0.000 0.000 0.253 535 N C 0.364 175.850 175.510 -0.041 0.000 1.466 535 N CA -1.143 51.884 53.050 -0.038 0.000 0.858 535 N CB 0.940 39.410 38.487 -0.029 0.000 1.459 535 N HN -0.190 nan 8.380 nan 0.000 0.532 536 R N -0.160 120.317 120.500 -0.037 0.000 2.096 536 R HA -0.185 4.155 4.340 0.000 0.000 0.240 536 R C 1.356 177.639 176.300 -0.027 0.000 1.139 536 R CA 2.025 58.104 56.100 -0.035 0.000 0.952 536 R CB -0.229 30.053 30.300 -0.030 0.000 0.854 536 R HN 0.787 nan 8.270 nan 0.000 0.436 537 E N 0.873 121.058 120.200 -0.024 0.000 2.047 537 E HA -0.204 4.146 4.350 0.000 0.000 0.191 537 E C 1.680 178.269 176.600 -0.018 0.000 0.987 537 E CA 1.228 57.616 56.400 -0.019 0.000 0.799 537 E CB 0.143 29.832 29.700 -0.018 0.000 0.752 537 E HN 0.371 nan 8.360 nan 0.000 0.449 538 E N 0.240 120.427 120.200 -0.021 0.000 2.110 538 E HA -0.200 4.150 4.350 0.000 0.000 0.193 538 E C 2.109 178.698 176.600 -0.018 0.000 0.988 538 E CA 0.836 57.226 56.400 -0.017 0.000 0.804 538 E CB -0.043 29.645 29.700 -0.021 0.000 0.745 538 E HN 0.196 nan 8.360 nan 0.000 0.458 539 L N 0.799 122.004 121.223 -0.031 0.000 2.044 539 L HA -0.116 4.224 4.340 0.000 0.000 0.205 539 L C 1.993 178.844 176.870 -0.031 0.000 1.075 539 L CA 1.442 56.258 54.840 -0.040 0.000 0.747 539 L CB -0.343 41.681 42.059 -0.058 0.000 0.903 539 L HN 0.106 nan 8.230 nan 0.000 0.435 540 L N -0.390 120.820 121.223 -0.023 0.000 2.043 540 L HA -0.245 4.096 4.340 0.000 0.000 0.212 540 L C 2.673 179.534 176.870 -0.014 0.000 1.075 540 L CA 1.411 56.243 54.840 -0.013 0.000 0.752 540 L CB -0.983 41.073 42.059 -0.005 0.000 0.891 540 L HN 0.408 nan 8.230 nan 0.000 0.432 541 A N -0.195 122.617 122.820 -0.013 0.000 1.898 541 A HA -0.148 4.172 4.320 0.000 0.000 0.216 541 A C 2.540 180.115 177.584 -0.015 0.000 1.181 541 A CA 1.665 53.693 52.037 -0.015 0.000 0.620 541 A CB -0.751 18.242 19.000 -0.010 0.000 0.819 541 A HN 0.403 nan 8.150 nan 0.000 0.442 542 A N -0.323 122.510 122.820 0.021 0.000 1.908 542 A HA -0.075 4.245 4.320 0.000 0.000 0.218 542 A C 2.196 179.821 177.584 0.067 0.000 1.181 542 A CA 1.615 53.720 52.037 0.113 0.000 0.627 542 A CB -0.610 18.471 19.000 0.135 0.000 0.818 542 A HN 0.470 nan 8.150 nan 0.000 0.445 543 L N -1.248 119.960 121.223 -0.025 0.000 2.056 543 L HA -0.148 4.192 4.340 0.000 0.000 0.207 543 L C 2.890 179.699 176.870 -0.102 0.000 1.078 543 L CA 1.316 56.080 54.840 -0.127 0.000 0.749 543 L CB -0.410 41.544 42.059 -0.175 0.000 0.901 543 L HN 0.335 nan 8.230 nan 0.000 0.433 544 R N 0.013 120.481 120.500 -0.053 0.000 2.081 544 R HA -0.203 4.137 4.340 0.000 0.000 0.235 544 R C 2.305 178.550 176.300 -0.091 0.000 1.131 544 R CA 1.451 57.531 56.100 -0.032 0.000 0.960 544 R CB -0.313 29.976 30.300 -0.018 0.000 0.856 544 R HN 0.279 nan 8.270 nan 0.000 0.436 545 K N 0.397 120.700 120.400 -0.161 0.000 2.009 545 K HA -0.149 4.171 4.320 0.000 0.000 0.210 545 K C 2.134 178.481 176.600 -0.421 0.000 1.049 545 K CA 1.857 57.968 56.287 -0.293 0.000 0.929 545 K CB -0.414 31.855 32.500 -0.385 0.000 0.714 545 K HN 0.243 nan 8.250 nan 0.000 0.440 546 G N 0.337 108.840 108.800 -0.496 0.000 2.440 546 G HA2 -0.276 3.684 3.960 0.000 0.000 0.218 546 G HA3 -0.276 3.684 3.960 0.000 0.000 0.218 546 G C 1.602 176.438 174.900 -0.107 0.000 1.154 546 G CA 1.014 45.891 45.100 -0.371 0.000 0.767 546 G HN 0.482 nan 8.290 nan 0.000 0.552 547 A N 0.574 123.375 122.820 -0.031 0.000 2.019 547 A HA 0.018 4.338 4.320 0.000 0.000 0.219 547 A C 2.014 179.632 177.584 0.057 0.000 1.164 547 A CA 1.762 53.870 52.037 0.117 0.000 0.644 547 A CB -0.202 18.929 19.000 0.219 0.000 0.805 547 A HN 0.489 nan 8.150 nan 0.000 0.449 548 E N -1.196 118.993 120.200 -0.018 0.000 2.501 548 E HA 0.159 4.509 4.350 0.000 0.000 0.201 548 E C 1.177 177.747 176.600 -0.050 0.000 1.016 548 E CA -0.324 56.062 56.400 -0.024 0.000 0.920 548 E CB 0.214 29.895 29.700 -0.030 0.000 1.023 548 E HN 0.427 nan 8.360 nan 0.000 0.474 549 L N 0.448 121.622 121.223 -0.081 0.000 2.217 549 L HA 0.084 4.424 4.340 0.000 0.000 0.211 549 L C 1.522 178.372 176.870 -0.032 0.000 1.107 549 L CA 1.865 56.647 54.840 -0.096 0.000 0.783 549 L CB -0.295 41.660 42.059 -0.173 0.000 0.919 549 L HN 0.281 nan 8.230 nan 0.000 0.442 550 G N -0.241 108.558 108.800 -0.003 0.000 2.155 550 G HA2 -0.316 3.644 3.960 0.000 0.000 0.257 550 G HA3 -0.316 3.644 3.960 0.000 0.000 0.257 550 G C 0.563 175.479 174.900 0.027 0.000 0.983 550 G CA 0.663 45.772 45.100 0.015 0.000 0.676 550 G HN 0.462 nan 8.290 nan 0.000 0.528 551 R N -0.281 120.241 120.500 0.037 0.000 2.799 551 R HA 0.492 4.832 4.340 0.000 0.000 0.270 551 R C -2.723 173.635 176.300 0.095 0.000 1.010 551 R CA -1.964 54.172 56.100 0.060 0.000 0.916 551 R CB 2.160 32.497 30.300 0.061 0.000 1.228 551 R HN 0.032 nan 8.270 nan 0.000 0.469 552 P HA 0.059 nan 4.420 nan 0.000 0.269 552 P C -1.106 176.327 177.300 0.221 0.000 1.209 552 P CA 0.288 63.470 63.100 0.136 0.000 0.776 552 P CB 0.502 32.262 31.700 0.100 0.000 0.876 553 F N 2.391 122.340 119.950 -0.002 0.000 2.581 553 F HA 0.550 5.077 4.527 0.000 0.000 0.311 553 F C -1.441 174.327 175.800 -0.052 0.000 1.113 553 F CA -1.133 56.850 58.000 -0.028 0.000 0.935 553 F CB 1.635 40.607 39.000 -0.047 0.000 1.232 553 F HN 0.142 nan 8.300 nan 0.000 0.445 554 L N 6.526 127.395 121.223 -0.590 0.000 2.346 554 L HA 0.738 5.078 4.340 0.000 0.000 0.276 554 L C -1.525 174.944 176.870 -0.668 0.000 1.006 554 L CA -0.467 54.082 54.840 -0.486 0.000 0.817 554 L CB 1.524 43.405 42.059 -0.295 0.000 1.272 554 L HN 0.578 nan 8.230 nan 0.000 0.421 555 I N 4.134 124.431 120.570 -0.455 0.000 2.410 555 I HA 0.352 4.522 4.170 0.000 0.000 0.286 555 I C -0.477 175.451 176.117 -0.315 0.000 1.009 555 I CA -0.409 60.676 61.300 -0.359 0.000 1.111 555 I CB 1.833 39.691 38.000 -0.237 0.000 1.262 555 I HN 0.590 nan 8.210 nan 0.000 0.443 556 E N 6.109 126.158 120.200 -0.252 0.000 2.227 556 E HA 0.513 4.863 4.350 0.000 0.000 0.282 556 E C -1.456 175.038 176.600 -0.178 0.000 1.015 556 E CA -0.529 55.740 56.400 -0.219 0.000 0.823 556 E CB 1.483 31.119 29.700 -0.105 0.000 1.081 556 E HN 0.377 nan 8.360 nan 0.000 0.396 557 V N 7.431 127.225 119.914 -0.201 0.000 2.409 557 V HA 0.324 4.444 4.120 0.000 0.000 0.290 557 V C -2.258 173.740 176.094 -0.160 0.000 1.017 557 V CA -1.836 60.364 62.300 -0.167 0.000 0.841 557 V CB 1.449 33.164 31.823 -0.181 0.000 1.003 557 V HN 0.714 nan 8.190 nan 0.000 0.426 558 P HA 0.245 nan 4.420 nan 0.000 0.271 558 P C -0.546 176.662 177.300 -0.154 0.000 1.216 558 P CA 0.297 63.329 63.100 -0.114 0.000 0.771 558 P CB 1.539 33.192 31.700 -0.077 0.000 0.864 559 V N 0.393 120.187 119.914 -0.200 0.000 3.141 559 V HA 0.756 4.876 4.120 0.000 0.000 0.312 559 V C -0.897 174.985 176.094 -0.353 0.000 1.157 559 V CA -0.956 61.170 62.300 -0.289 0.000 1.041 559 V CB 2.189 33.795 31.823 -0.362 0.000 1.071 559 V HN 0.467 nan 8.190 nan 0.000 0.441 560 N N -0.995 117.447 118.700 -0.430 0.000 2.494 560 N HA 0.752 5.492 4.740 0.000 0.000 0.270 560 N C -1.859 173.401 175.510 -0.417 0.000 1.285 560 N CA -0.419 52.387 53.050 -0.406 0.000 0.812 560 N CB 2.085 40.465 38.487 -0.177 0.000 1.557 560 N HN 0.780 nan 8.380 nan 0.000 0.487 561 Y N 0.000 120.337 120.300 0.062 0.000 2.660 561 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 561 Y CA 0.000 58.184 58.100 0.139 0.000 1.940 561 Y CB 0.000 38.581 38.460 0.202 0.000 1.050 561 Y HN 0.000 nan 8.280 nan 0.000 0.758