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 2afi_1_C DATA FIRST_RESID 5 DATA SEQUENCE SREEVESLIQ EVLEVYPEKA RKDRNKHLAV NDPAVTQSKK CIISNKKSQP DATA SEQUENCE GLMTIRGCAY AGSKGVVWGP IKDMIHISHG PVGCGQYSRA GRRNYYIGTT DATA SEQUENCE GVNAFVTMNF TSDFQEKDIV FGGDKKLAKL IDEVETLFPL NKGISVQSEC DATA SEQUENCE PIGLIGDDIE SVSKVKGAEL SKTIVPVRCE GFRGVSQSLG HHIANDAVRD DATA SEQUENCE WVLGKRDEDT TFASTPYDVA IIGDYNIGGD AWSSRILLEE MGLRCVAQWS DATA SEQUENCE GDGSISEIEL TPKVKLNLVH CYRSMNYISR HMEEKYGIPW MEYNFFGPTK DATA SEQUENCE TIESLRAIAA KFDESIQKKC EEVIAKYKPE WEAVVAKYRP RLEGKRVMLY DATA SEQUENCE IGGLRPRHVI GAYEDLGMEV VGTGYEFAHN DDYDRTMKEM GDSTLLYDDV DATA SEQUENCE TGYEFEEFVK RIKPDLIGSG IKEKFIFQKM GIPFREMHSW DYSGPYHGFD DATA SEQUENCE GFAIFARDMD MTLNNPCWKK LQAPWE 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.590 174.600 -0.016 0.000 1.055 5 S CA 0.000 58.191 58.200 -0.016 0.000 1.107 5 S CB 0.000 63.194 63.200 -0.011 0.000 0.593 6 R N 0.633 121.125 120.500 -0.013 0.000 2.075 6 R HA 0.022 4.365 4.340 0.005 0.000 0.232 6 R C 1.959 178.254 176.300 -0.008 0.000 1.126 6 R CA 1.898 57.991 56.100 -0.012 0.000 0.963 6 R CB -0.458 29.837 30.300 -0.009 0.000 0.858 6 R HN 0.828 nan 8.270 nan 0.000 0.435 7 E N 0.085 120.283 120.200 -0.005 0.000 2.106 7 E HA -0.188 4.165 4.350 0.005 0.000 0.192 7 E C 1.629 178.229 176.600 0.001 0.000 0.984 7 E CA 1.333 57.733 56.400 0.000 0.000 0.806 7 E CB 0.188 29.889 29.700 0.001 0.000 0.750 7 E HN 0.429 nan 8.360 nan 0.000 0.458 8 E N -0.431 119.766 120.200 -0.004 0.000 2.072 8 E HA -0.152 4.201 4.350 0.005 0.000 0.191 8 E C 2.097 178.692 176.600 -0.008 0.000 0.985 8 E CA 1.177 57.574 56.400 -0.004 0.000 0.801 8 E CB 0.178 29.873 29.700 -0.009 0.000 0.750 8 E HN 0.096 nan 8.360 nan 0.000 0.452 9 V N 1.359 121.261 119.914 -0.020 0.000 2.358 9 V HA -0.247 3.876 4.120 0.005 0.000 0.246 9 V C 2.024 178.106 176.094 -0.021 0.000 1.047 9 V CA 1.816 64.092 62.300 -0.040 0.000 1.035 9 V CB -0.434 31.356 31.823 -0.056 0.000 0.658 9 V HN 0.232 nan 8.190 nan 0.000 0.452 10 E N 0.554 120.751 120.200 -0.004 0.000 2.077 10 E HA -0.216 4.137 4.350 0.005 0.000 0.193 10 E C 2.417 179.037 176.600 0.033 0.000 0.989 10 E CA 1.699 58.108 56.400 0.015 0.000 0.800 10 E CB -0.230 29.478 29.700 0.013 0.000 0.746 10 E HN 0.720 nan 8.360 nan 0.000 0.452 11 S N 1.018 116.734 115.700 0.027 0.000 2.368 11 S HA -0.160 4.313 4.470 0.005 0.000 0.224 11 S C 2.119 176.751 174.600 0.054 0.000 1.029 11 S CA 0.890 59.112 58.200 0.036 0.000 0.988 11 S CB -0.287 62.928 63.200 0.024 0.000 0.838 11 S HN 0.232 nan 8.310 nan 0.000 0.462 12 L N 1.476 122.731 121.223 0.052 0.000 2.046 12 L HA 0.101 4.444 4.340 0.005 0.000 0.208 12 L C 2.253 179.225 176.870 0.171 0.000 1.077 12 L CA 1.677 56.570 54.840 0.088 0.000 0.747 12 L CB -0.613 41.477 42.059 0.051 0.000 0.896 12 L HN 0.424 nan 8.230 nan 0.000 0.432 13 I N -0.911 119.753 120.570 0.157 0.000 2.252 13 I HA -0.255 3.918 4.170 0.005 0.000 0.245 13 I C 2.456 178.691 176.117 0.197 0.000 1.102 13 I CA 0.777 62.228 61.300 0.252 0.000 1.385 13 I CB -0.389 37.710 38.000 0.165 0.000 1.064 13 I HN 0.346 nan 8.210 nan 0.000 0.414 14 Q N 0.470 120.347 119.800 0.128 0.000 2.079 14 Q HA -0.233 4.110 4.340 0.005 0.000 0.200 14 Q C 1.991 178.047 176.000 0.092 0.000 0.974 14 Q CA 1.489 57.353 55.803 0.102 0.000 0.840 14 Q CB -0.397 28.384 28.738 0.072 0.000 0.898 14 Q HN 0.508 nan 8.270 nan 0.000 0.430 15 E N -0.349 119.901 120.200 0.084 0.000 2.077 15 E HA -0.139 4.214 4.350 0.005 0.000 0.193 15 E C 1.912 178.550 176.600 0.064 0.000 0.989 15 E CA 1.206 57.645 56.400 0.065 0.000 0.800 15 E CB 0.205 29.941 29.700 0.059 0.000 0.746 15 E HN 0.106 nan 8.360 nan 0.000 0.452 16 V N 1.030 120.993 119.914 0.083 0.000 2.358 16 V HA -0.234 3.889 4.120 0.005 0.000 0.246 16 V C 2.306 178.423 176.094 0.039 0.000 1.047 16 V CA 1.363 63.686 62.300 0.038 0.000 1.035 16 V CB -0.361 31.430 31.823 -0.053 0.000 0.658 16 V HN 0.355 nan 8.190 nan 0.000 0.452 17 L N -0.033 121.244 121.223 0.090 0.000 2.447 17 L HA -0.170 4.173 4.340 0.005 0.000 0.225 17 L C 2.417 179.321 176.870 0.057 0.000 1.148 17 L CA 1.088 56.006 54.840 0.131 0.000 0.808 17 L CB -0.648 41.549 42.059 0.229 0.000 0.928 17 L HN 0.466 nan 8.230 nan 0.000 0.448 18 E N -0.526 119.685 120.200 0.019 0.000 2.204 18 E HA -0.208 4.145 4.350 0.005 0.000 0.195 18 E C 2.278 178.848 176.600 -0.050 0.000 0.990 18 E CA 1.034 57.437 56.400 0.005 0.000 0.821 18 E CB -0.075 29.632 29.700 0.012 0.000 0.750 18 E HN 0.335 nan 8.360 nan 0.000 0.477 19 V N 0.803 120.617 119.914 -0.166 0.000 2.427 19 V HA -0.176 3.947 4.120 0.005 0.000 0.248 19 V C 0.427 176.398 176.094 -0.205 0.000 1.051 19 V CA 1.146 63.283 62.300 -0.272 0.000 1.048 19 V CB -0.224 31.264 31.823 -0.559 0.000 0.666 19 V HN 0.087 nan 8.190 nan 0.000 0.456 20 Y N 1.051 121.288 120.300 -0.105 0.000 2.480 20 Y HA 0.342 4.895 4.550 0.005 0.000 0.338 20 Y C -1.416 174.459 175.900 -0.040 0.000 1.220 20 Y CA -2.846 55.208 58.100 -0.078 0.000 1.430 20 Y CB -0.980 37.460 38.460 -0.032 0.000 1.311 20 Y HN 0.201 nan 8.280 nan 0.000 0.575 21 P HA 0.036 nan 4.420 nan 0.000 0.272 21 P C 0.500 177.841 177.300 0.068 0.000 1.240 21 P CA -0.150 62.990 63.100 0.067 0.000 0.791 21 P CB 0.816 32.539 31.700 0.037 0.000 0.978 22 E N 1.454 121.681 120.200 0.044 0.000 2.077 22 E HA -0.225 4.128 4.350 0.005 0.000 0.193 22 E C 1.717 178.332 176.600 0.024 0.000 0.989 22 E CA 1.656 58.079 56.400 0.039 0.000 0.800 22 E CB -0.334 29.383 29.700 0.030 0.000 0.746 22 E HN 0.307 nan 8.360 nan 0.000 0.452 23 K N -0.415 119.990 120.400 0.009 0.000 2.057 23 K HA -0.112 4.211 4.320 0.005 0.000 0.207 23 K C 2.012 178.598 176.600 -0.022 0.000 1.049 23 K CA 1.292 57.578 56.287 -0.002 0.000 0.931 23 K CB -0.233 32.263 32.500 -0.007 0.000 0.714 23 K HN 0.162 nan 8.250 nan 0.000 0.440 24 A N 1.820 124.608 122.820 -0.052 0.000 1.898 24 A HA -0.151 4.172 4.320 0.005 0.000 0.216 24 A C 2.210 179.697 177.584 -0.162 0.000 1.181 24 A CA 1.284 53.230 52.037 -0.150 0.000 0.620 24 A CB -0.576 18.286 19.000 -0.230 0.000 0.819 24 A HN 0.350 nan 8.150 nan 0.000 0.442 25 R N -0.102 120.383 120.500 -0.024 0.000 2.081 25 R HA -0.122 4.221 4.340 0.005 0.000 0.235 25 R C 2.169 178.515 176.300 0.077 0.000 1.131 25 R CA 1.817 57.978 56.100 0.103 0.000 0.960 25 R CB -0.314 30.095 30.300 0.182 0.000 0.856 25 R HN 0.506 nan 8.270 nan 0.000 0.436 26 K N 0.215 120.645 120.400 0.050 0.000 2.057 26 K HA -0.201 4.122 4.320 0.005 0.000 0.207 26 K C 1.738 178.368 176.600 0.051 0.000 1.049 26 K CA 2.025 58.341 56.287 0.048 0.000 0.931 26 K CB -0.213 32.307 32.500 0.033 0.000 0.714 26 K HN 0.185 nan 8.250 nan 0.000 0.440 27 D N 0.066 120.490 120.400 0.040 0.000 2.117 27 D HA -0.135 4.508 4.640 0.005 0.000 0.198 27 D C 1.930 178.330 176.300 0.168 0.000 0.982 27 D CA 1.051 55.099 54.000 0.080 0.000 0.828 27 D CB 0.238 41.067 40.800 0.048 0.000 0.967 27 D HN -0.021 nan 8.370 nan 0.000 0.464 28 R N 0.528 121.084 120.500 0.093 0.000 2.081 28 R HA -0.095 4.248 4.340 0.005 0.000 0.235 28 R C 2.060 178.492 176.300 0.220 0.000 1.131 28 R CA 0.794 56.985 56.100 0.153 0.000 0.960 28 R CB -1.509 28.800 30.300 0.014 0.000 0.856 28 R HN 0.346 nan 8.270 nan 0.000 0.436 29 N N 1.649 120.447 118.700 0.164 0.000 2.258 29 N HA -0.170 4.573 4.740 0.005 0.000 0.187 29 N C 1.170 176.729 175.510 0.081 0.000 1.012 29 N CA 1.250 54.384 53.050 0.140 0.000 0.870 29 N CB 0.050 38.602 38.487 0.108 0.000 0.977 29 N HN 0.295 nan 8.380 nan 0.000 0.434 30 K N -0.963 119.456 120.400 0.031 0.000 2.211 30 K HA -0.090 4.233 4.320 0.005 0.000 0.203 30 K C 1.040 177.476 176.600 -0.274 0.000 1.050 30 K CA 0.939 57.148 56.287 -0.130 0.000 0.945 30 K CB -0.096 32.284 32.500 -0.201 0.000 0.732 30 K HN 0.435 nan 8.250 nan 0.000 0.451 31 H N -0.524 118.568 119.070 0.036 0.000 2.539 31 H HA 0.198 4.757 4.556 0.005 0.000 0.269 31 H C -0.298 175.084 175.328 0.090 0.000 0.980 31 H CA 0.135 56.208 56.048 0.041 0.000 1.152 31 H CB 0.249 30.058 29.762 0.077 0.000 1.407 31 H HN -0.076 nan 8.280 nan 0.000 0.564 32 L N 0.953 122.287 121.223 0.185 0.000 2.325 32 L HA 0.714 5.057 4.340 0.005 0.000 0.281 32 L C -0.416 176.512 176.870 0.096 0.000 1.004 32 L CA -0.925 54.041 54.840 0.209 0.000 0.823 32 L CB 1.725 43.972 42.059 0.314 0.000 1.236 32 L HN 0.049 nan 8.230 nan 0.000 0.415 33 A N 3.082 125.937 122.820 0.058 0.000 2.475 33 A HA 0.798 5.121 4.320 0.005 0.000 0.301 33 A C -0.986 176.597 177.584 -0.002 0.000 1.059 33 A CA -0.537 51.507 52.037 0.012 0.000 0.710 33 A CB 1.958 20.945 19.000 -0.021 0.000 1.288 33 A HN 0.322 nan 8.150 nan 0.000 0.408 34 V N 2.847 122.755 119.914 -0.009 0.000 2.406 34 V HA 0.199 4.322 4.120 0.005 0.000 0.272 34 V C 0.735 176.823 176.094 -0.012 0.000 1.043 34 V CA -0.719 61.569 62.300 -0.019 0.000 0.915 34 V CB 1.122 32.934 31.823 -0.018 0.000 0.988 34 V HN 0.897 nan 8.190 nan 0.000 0.466 35 N N 3.725 122.418 118.700 -0.011 0.000 2.497 35 N HA 0.023 4.767 4.740 0.005 0.000 0.268 35 N C -1.015 174.493 175.510 -0.003 0.000 1.171 35 N CA -0.188 52.861 53.050 -0.002 0.000 0.948 35 N CB 0.752 39.239 38.487 0.000 0.000 1.069 35 N HN 0.726 nan 8.380 nan 0.000 0.460 36 D N 4.325 124.726 120.400 0.002 0.000 2.425 36 D HA 0.293 4.936 4.640 0.005 0.000 0.240 36 D C -1.992 174.311 176.300 0.003 0.000 1.080 36 D CA -2.055 51.945 54.000 0.000 0.000 0.836 36 D CB 2.035 42.835 40.800 -0.000 0.000 1.125 36 D HN 0.337 nan 8.370 nan 0.000 0.525 37 P HA 0.004 nan 4.420 nan 0.000 0.223 37 P C 0.933 178.233 177.300 -0.000 0.000 1.151 37 P CA 0.653 63.753 63.100 0.000 0.000 0.787 37 P CB 0.390 32.087 31.700 -0.005 0.000 0.788 38 A N -0.422 122.397 122.820 -0.001 0.000 1.898 38 A HA -0.057 4.267 4.320 0.005 0.000 0.216 38 A C 1.062 178.646 177.584 0.000 0.000 1.181 38 A CA 0.810 52.846 52.037 -0.002 0.000 0.620 38 A CB -1.400 17.599 19.000 -0.003 0.000 0.819 38 A HN 0.024 nan 8.150 nan 0.000 0.442 39 V N 1.955 121.871 119.914 0.003 0.000 2.509 39 V HA 0.013 4.136 4.120 0.005 0.000 0.297 39 V C 1.958 178.057 176.094 0.007 0.000 1.014 39 V CA 0.852 63.154 62.300 0.005 0.000 1.127 39 V CB 0.211 32.038 31.823 0.007 0.000 0.925 39 V HN 0.739 nan 8.190 nan 0.000 0.480 40 T N 2.143 116.700 114.554 0.005 0.000 2.777 40 T HA -0.088 4.265 4.350 0.005 0.000 0.266 40 T C 0.687 175.393 174.700 0.010 0.000 1.040 40 T CA 0.804 62.907 62.100 0.004 0.000 1.141 40 T CB -0.052 68.817 68.868 0.001 0.000 0.868 40 T HN 0.651 nan 8.240 nan 0.000 0.444 41 Q N 1.190 120.997 119.800 0.012 0.000 2.293 41 Q HA 0.478 4.821 4.340 0.005 0.000 0.261 41 Q C 1.158 177.171 176.000 0.022 0.000 0.960 41 Q CA -0.276 55.538 55.803 0.018 0.000 0.882 41 Q CB 2.006 30.753 28.738 0.014 0.000 1.275 41 Q HN 0.483 nan 8.270 nan 0.000 0.445 42 S N 2.599 118.321 115.700 0.038 0.000 2.368 42 S HA -0.163 4.310 4.470 0.005 0.000 0.224 42 S C 1.334 175.933 174.600 -0.001 0.000 1.029 42 S CA 0.841 59.067 58.200 0.043 0.000 0.988 42 S CB -0.038 63.231 63.200 0.114 0.000 0.838 42 S HN 0.534 nan 8.310 nan 0.000 0.462 43 K N 1.504 121.905 120.400 0.002 0.000 2.218 43 K HA -0.107 4.216 4.320 0.005 0.000 0.205 43 K C 2.185 178.767 176.600 -0.030 0.000 1.046 43 K CA 1.502 57.776 56.287 -0.021 0.000 0.933 43 K CB -0.176 32.321 32.500 -0.005 0.000 0.728 43 K HN 0.496 nan 8.250 nan 0.000 0.454 44 K N 0.184 120.574 120.400 -0.017 0.000 2.025 44 K HA -0.100 4.223 4.320 0.005 0.000 0.207 44 K C 2.352 178.934 176.600 -0.030 0.000 1.049 44 K CA 1.504 57.780 56.287 -0.018 0.000 0.933 44 K CB -0.229 32.266 32.500 -0.009 0.000 0.714 44 K HN 0.133 nan 8.250 nan 0.000 0.438 45 C N 0.639 119.921 119.300 -0.031 0.000 2.462 45 C HA 0.117 4.580 4.460 0.005 0.000 0.278 45 C C 1.457 176.399 174.990 -0.080 0.000 1.253 45 C CA 0.037 59.030 59.018 -0.041 0.000 1.713 45 C CB -0.168 27.556 27.740 -0.026 0.000 2.049 45 C HN 0.389 nan 8.230 nan 0.000 0.477 46 I N -0.977 119.515 120.570 -0.130 0.000 2.894 46 I HA 0.543 4.716 4.170 0.005 0.000 0.302 46 I C -1.586 174.377 176.117 -0.257 0.000 1.188 46 I CA -0.756 60.409 61.300 -0.226 0.000 1.014 46 I CB 1.796 39.576 38.000 -0.367 0.000 1.242 46 I HN -0.004 nan 8.210 nan 0.000 0.430 47 I N 4.855 125.226 120.570 -0.332 0.000 2.562 47 I HA 0.643 4.816 4.170 0.005 0.000 0.301 47 I C -0.465 175.470 176.117 -0.304 0.000 1.003 47 I CA 0.251 61.369 61.300 -0.303 0.000 1.127 47 I CB 1.824 39.619 38.000 -0.341 0.000 1.304 47 I HN 0.628 nan 8.210 nan 0.000 0.446 48 S N 4.785 120.451 115.700 -0.056 0.000 2.625 48 S HA 0.469 4.942 4.470 0.005 0.000 0.271 48 S C -0.298 174.423 174.600 0.202 0.000 1.161 48 S CA -0.483 57.819 58.200 0.169 0.000 0.820 48 S CB 1.100 64.431 63.200 0.219 0.000 1.137 48 S HN 0.888 nan 8.310 nan 0.000 0.470 49 N N 0.517 119.368 118.700 0.251 0.000 2.746 49 N HA -0.121 4.622 4.740 0.005 0.000 0.250 49 N C -1.147 174.426 175.510 0.105 0.000 1.055 49 N CA 0.507 53.652 53.050 0.158 0.000 0.699 49 N CB -0.623 37.861 38.487 -0.005 0.000 0.919 49 N HN 0.562 nan 8.380 nan 0.000 0.548 50 K N 1.174 121.664 120.400 0.150 0.000 2.340 50 K HA 0.291 4.614 4.320 0.005 0.000 0.244 50 K C -0.114 176.524 176.600 0.063 0.000 0.973 50 K CA -0.706 55.649 56.287 0.114 0.000 0.828 50 K CB 1.378 33.994 32.500 0.192 0.000 1.226 50 K HN 0.295 nan 8.250 nan 0.000 0.437 51 K N 0.113 120.539 120.400 0.043 0.000 2.489 51 K HA 0.145 4.468 4.320 0.005 0.000 0.278 51 K C -0.178 176.420 176.600 -0.003 0.000 1.000 51 K CA 0.108 56.410 56.287 0.024 0.000 1.012 51 K CB 0.251 32.764 32.500 0.022 0.000 0.903 51 K HN 0.250 nan 8.250 nan 0.000 0.485 52 S N 2.871 118.567 115.700 -0.008 0.000 2.576 52 S HA 0.019 4.492 4.470 0.005 0.000 0.276 52 S C -0.155 174.423 174.600 -0.038 0.000 1.339 52 S CA -0.856 57.323 58.200 -0.036 0.000 1.039 52 S CB 0.568 63.765 63.200 -0.004 0.000 0.902 52 S HN 0.522 nan 8.310 nan 0.000 0.516 53 Q N 3.106 122.864 119.800 -0.070 0.000 2.304 53 Q HA 0.234 4.577 4.340 0.005 0.000 0.260 53 Q C -2.056 173.913 176.000 -0.050 0.000 0.965 53 Q CA -1.657 54.102 55.803 -0.073 0.000 0.898 53 Q CB 0.128 28.785 28.738 -0.135 0.000 1.196 53 Q HN 0.446 nan 8.270 nan 0.000 0.402 54 P HA 0.050 nan 4.420 nan 0.000 0.271 54 P C 0.453 177.744 177.300 -0.015 0.000 1.218 54 P CA 0.302 63.392 63.100 -0.017 0.000 0.780 54 P CB 0.677 32.370 31.700 -0.013 0.000 0.901 55 G N 1.992 110.791 108.800 -0.002 0.000 2.162 55 G HA2 -0.257 3.706 3.960 0.005 0.000 0.260 55 G HA3 -0.257 3.706 3.960 0.005 0.000 0.260 55 G C 0.530 175.442 174.900 0.020 0.000 0.976 55 G CA 0.250 45.354 45.100 0.006 0.000 0.655 55 G HN 0.513 nan 8.290 nan 0.000 0.533 56 L N -0.569 120.666 121.223 0.020 0.000 2.640 56 L HA 0.484 4.827 4.340 0.005 0.000 0.230 56 L C 1.626 178.543 176.870 0.079 0.000 1.123 56 L CA 0.276 55.149 54.840 0.055 0.000 0.900 56 L CB 0.114 42.176 42.059 0.005 0.000 1.146 56 L HN 0.385 nan 8.230 nan 0.000 0.484 57 M N 1.210 120.845 119.600 0.059 0.000 2.298 57 M HA -0.177 4.306 4.480 0.005 0.000 0.196 57 M C 0.488 176.836 176.300 0.081 0.000 0.531 57 M CA 0.418 55.758 55.300 0.067 0.000 0.459 57 M CB -0.848 31.797 32.600 0.075 0.000 1.279 57 M HN 0.368 nan 8.290 nan 0.000 0.915 58 T N -0.720 113.879 114.554 0.074 0.000 2.926 58 T HA 0.330 4.683 4.350 0.005 0.000 0.307 58 T C 0.990 175.766 174.700 0.127 0.000 1.059 58 T CA -0.159 61.999 62.100 0.098 0.000 1.122 58 T CB 0.551 69.469 68.868 0.082 0.000 0.972 58 T HN 0.422 nan 8.240 nan 0.000 0.545 59 I N 2.487 123.171 120.570 0.189 0.000 3.684 59 I HA 0.119 4.292 4.170 0.005 0.000 0.304 59 I C 1.511 177.736 176.117 0.181 0.000 1.278 59 I CA 0.055 61.480 61.300 0.209 0.000 1.272 59 I CB -0.106 38.096 38.000 0.337 0.000 1.029 59 I HN 0.478 nan 8.210 nan 0.000 0.458 60 R N 1.350 121.959 120.500 0.182 0.000 2.537 60 R HA 0.245 4.588 4.340 0.005 0.000 0.280 60 R C 0.654 177.020 176.300 0.111 0.000 1.058 60 R CA 0.029 56.238 56.100 0.182 0.000 1.057 60 R CB 0.464 30.868 30.300 0.174 0.000 0.973 60 R HN 0.161 nan 8.270 nan 0.000 0.438 61 G N 1.125 109.980 108.800 0.092 0.000 2.531 61 G HA2 0.359 4.322 3.960 0.005 0.000 0.281 61 G HA3 0.359 4.322 3.960 0.005 0.000 0.281 61 G C -0.103 174.799 174.900 0.003 0.000 1.382 61 G CA -0.658 44.465 45.100 0.039 0.000 1.045 61 G HN 0.824 nan 8.290 nan 0.000 0.533 62 C N -2.991 116.307 119.300 -0.003 0.000 2.451 62 C HA 0.810 5.273 4.460 0.005 0.000 0.391 62 C C 2.082 177.027 174.990 -0.075 0.000 1.286 62 C CA 0.106 59.111 59.018 -0.021 0.000 1.935 62 C CB 1.163 28.913 27.740 0.017 0.000 2.188 62 C HN 0.965 nan 8.230 nan 0.000 0.523 63 A N -0.597 122.168 122.820 -0.091 0.000 2.015 63 A HA -0.058 4.265 4.320 0.005 0.000 0.219 63 A C 1.888 179.420 177.584 -0.088 0.000 1.163 63 A CA 1.708 53.663 52.037 -0.138 0.000 0.646 63 A CB -1.039 17.867 19.000 -0.157 0.000 0.806 63 A HN 1.159 nan 8.150 nan 0.000 0.448 64 Y N 0.566 120.776 120.300 -0.149 0.000 2.200 64 Y HA -0.031 4.521 4.550 0.004 0.000 0.290 64 Y C 2.505 178.348 175.900 -0.095 0.000 1.137 64 Y CA 1.206 59.233 58.100 -0.121 0.000 1.163 64 Y CB -0.445 37.952 38.460 -0.105 0.000 0.988 64 Y HN 0.286 nan 8.280 nan 0.000 0.518 65 A N 0.401 123.209 122.820 -0.020 0.000 1.902 65 A HA -0.059 4.264 4.320 0.005 0.000 0.217 65 A C 2.453 179.916 177.584 -0.201 0.000 1.181 65 A CA 1.690 53.655 52.037 -0.120 0.000 0.623 65 A CB -1.701 17.288 19.000 -0.018 0.000 0.818 65 A HN 0.607 nan 8.150 nan 0.000 0.443 66 G N -0.816 107.854 108.800 -0.217 0.000 2.433 66 G HA2 -0.192 3.771 3.960 0.005 0.000 0.216 66 G HA3 -0.192 3.771 3.960 0.005 0.000 0.216 66 G C 2.013 176.856 174.900 -0.095 0.000 1.186 66 G CA 1.659 46.623 45.100 -0.226 0.000 0.779 66 G HN 0.634 nan 8.290 nan 0.000 0.543 67 S N -0.068 115.558 115.700 -0.123 0.000 2.345 67 S HA -0.073 4.400 4.470 0.005 0.000 0.219 67 S C 2.287 176.838 174.600 -0.081 0.000 1.031 67 S CA 1.888 60.069 58.200 -0.030 0.000 0.984 67 S CB -0.303 62.878 63.200 -0.031 0.000 0.874 67 S HN 0.273 nan 8.310 nan 0.000 0.451 68 K N 0.628 120.808 120.400 -0.368 0.000 2.062 68 K HA 0.020 4.343 4.320 0.005 0.000 0.205 68 K C 2.200 178.581 176.600 -0.364 0.000 1.051 68 K CA 1.435 57.442 56.287 -0.467 0.000 0.941 68 K CB -1.135 30.799 32.500 -0.943 0.000 0.719 68 K HN 0.459 nan 8.250 nan 0.000 0.440 69 G N 0.495 109.063 108.800 -0.387 0.000 2.402 69 G HA2 -0.121 3.842 3.960 0.005 0.000 0.216 69 G HA3 -0.121 3.842 3.960 0.005 0.000 0.216 69 G C 1.475 176.259 174.900 -0.193 0.000 1.162 69 G CA 0.922 45.882 45.100 -0.234 0.000 0.777 69 G HN 0.210 nan 8.290 nan 0.000 0.539 70 V N -0.387 119.401 119.914 -0.210 0.000 2.735 70 V HA 0.038 4.161 4.120 0.005 0.000 0.234 70 V C 2.788 178.670 176.094 -0.353 0.000 1.121 70 V CA 0.744 62.844 62.300 -0.334 0.000 1.160 70 V CB 0.108 31.732 31.823 -0.332 0.000 0.908 70 V HN 0.170 nan 8.190 nan 0.000 0.495 71 V N -0.990 118.808 119.914 -0.193 0.000 2.270 71 V HA -0.214 3.909 4.120 0.005 0.000 0.245 71 V C 2.105 178.039 176.094 -0.266 0.000 1.043 71 V CA 2.164 64.379 62.300 -0.142 0.000 1.014 71 V CB -0.769 30.978 31.823 -0.126 0.000 0.645 71 V HN 0.622 nan 8.190 nan 0.000 0.447 72 W N 0.729 121.882 121.300 -0.244 0.000 2.443 72 W HA 0.152 4.814 4.660 0.004 0.000 0.296 72 W C 2.615 178.707 176.519 -0.711 0.000 1.202 72 W CA 1.172 58.253 57.345 -0.439 0.000 1.312 72 W CB -1.080 28.079 29.460 -0.502 0.000 1.120 72 W HN 0.259 nan 8.180 nan 0.000 0.536 73 G N 0.949 109.542 108.800 -0.345 0.000 2.469 73 G HA2 -0.245 3.718 3.960 0.005 0.000 0.219 73 G HA3 -0.245 3.718 3.960 0.005 0.000 0.219 73 G C -0.855 174.021 174.900 -0.039 0.000 1.150 73 G CA 1.153 46.111 45.100 -0.237 0.000 0.763 73 G HN 0.147 nan 8.290 nan 0.000 0.561 74 P HA 0.017 nan 4.420 nan 0.000 0.222 74 P C 0.466 177.774 177.300 0.013 0.000 1.147 74 P CA 0.236 63.343 63.100 0.012 0.000 0.790 74 P CB 0.063 31.802 31.700 0.065 0.000 0.780 75 I N 1.030 121.631 120.570 0.052 0.000 2.662 75 I HA -0.104 4.069 4.170 0.005 0.000 0.285 75 I C 1.870 178.025 176.117 0.063 0.000 1.161 75 I CA 0.522 61.855 61.300 0.054 0.000 1.415 75 I CB 0.451 38.505 38.000 0.090 0.000 1.385 75 I HN -0.011 nan 8.210 nan 0.000 0.552 76 K N 4.421 124.806 120.400 -0.026 0.000 2.057 76 K HA -0.167 4.156 4.320 0.005 0.000 0.206 76 K C 0.914 177.480 176.600 -0.058 0.000 1.050 76 K CA 1.585 57.805 56.287 -0.112 0.000 0.935 76 K CB -0.297 32.155 32.500 -0.081 0.000 0.715 76 K HN 0.626 nan 8.250 nan 0.000 0.439 77 D N 1.389 121.794 120.400 0.008 0.000 2.117 77 D HA -0.114 4.529 4.640 0.005 0.000 0.198 77 D C 1.078 177.466 176.300 0.147 0.000 0.982 77 D CA 1.035 55.075 54.000 0.067 0.000 0.828 77 D CB -0.393 40.440 40.800 0.054 0.000 0.967 77 D HN 0.230 nan 8.370 nan 0.000 0.464 78 M N 0.190 119.812 119.600 0.037 0.000 2.228 78 M HA 0.272 4.755 4.480 0.005 0.000 0.326 78 M C 0.086 176.145 176.300 -0.401 0.000 1.122 78 M CA -0.172 55.054 55.300 -0.122 0.000 1.161 78 M CB 1.471 34.029 32.600 -0.070 0.000 1.437 78 M HN -0.175 nan 8.290 nan 0.000 0.465 79 I N 1.568 121.764 120.570 -0.622 0.000 2.377 79 I HA 0.246 4.419 4.170 0.005 0.000 0.293 79 I C -0.565 175.047 176.117 -0.843 0.000 0.987 79 I CA -0.672 60.094 61.300 -0.892 0.000 1.185 79 I CB 0.937 38.226 38.000 -1.185 0.000 1.341 79 I HN 0.534 nan 8.210 nan 0.000 0.455 80 H N 6.874 125.811 119.070 -0.222 0.000 2.511 80 H HA 0.419 4.978 4.556 0.005 0.000 0.328 80 H C -0.512 174.773 175.328 -0.072 0.000 1.044 80 H CA -0.733 55.230 56.048 -0.140 0.000 1.212 80 H CB 1.747 31.484 29.762 -0.042 0.000 1.428 80 H HN 0.258 nan 8.280 nan 0.000 0.483 81 I N 2.714 123.263 120.570 -0.035 0.000 2.325 81 I HA 0.070 4.243 4.170 0.005 0.000 0.291 81 I C 0.581 176.737 176.117 0.065 0.000 1.019 81 I CA -0.319 60.989 61.300 0.014 0.000 1.302 81 I CB 0.847 38.794 38.000 -0.088 0.000 1.401 81 I HN 0.347 nan 8.210 nan 0.000 0.485 82 S N 5.815 121.591 115.700 0.126 0.000 2.465 82 S HA 0.210 4.683 4.470 0.005 0.000 0.279 82 S C -0.198 174.452 174.600 0.084 0.000 1.201 82 S CA -0.306 57.983 58.200 0.147 0.000 1.053 82 S CB 0.251 63.538 63.200 0.145 0.000 0.953 82 S HN 0.436 nan 8.310 nan 0.000 0.488 83 H N 1.718 120.722 119.070 -0.110 0.000 2.556 83 H HA 0.664 5.223 4.556 0.005 0.000 0.310 83 H C 0.509 175.550 175.328 -0.477 0.000 1.057 83 H CA 0.938 56.851 56.048 -0.225 0.000 1.264 83 H CB 0.292 29.956 29.762 -0.162 0.000 1.404 83 H HN 0.898 nan 8.280 nan 0.000 0.462 84 G N 4.212 112.463 108.800 -0.915 0.000 2.302 84 G HA2 -0.063 3.900 3.960 0.005 0.000 0.264 84 G HA3 -0.063 3.900 3.960 0.005 0.000 0.264 84 G C -2.918 171.624 174.900 -0.597 0.000 1.335 84 G CA -0.992 43.393 45.100 -1.191 0.000 0.982 84 G HN 0.494 nan 8.290 nan 0.000 0.473 85 P HA 0.342 nan 4.420 nan 0.000 0.272 85 P C 1.185 178.404 177.300 -0.135 0.000 1.240 85 P CA -0.170 62.859 63.100 -0.120 0.000 0.791 85 P CB 1.239 32.882 31.700 -0.095 0.000 0.978 86 V N 2.074 121.935 119.914 -0.089 0.000 2.568 86 V HA -0.174 3.949 4.120 0.005 0.000 0.253 86 V C 2.110 178.073 176.094 -0.219 0.000 1.072 86 V CA 2.809 65.037 62.300 -0.120 0.000 1.084 86 V CB -1.496 30.273 31.823 -0.090 0.000 0.676 86 V HN 0.795 nan 8.190 nan 0.000 0.469 87 G N -1.086 107.569 108.800 -0.242 0.000 2.440 87 G HA2 -0.291 3.672 3.960 0.005 0.000 0.218 87 G HA3 -0.291 3.672 3.960 0.005 0.000 0.218 87 G C 1.722 176.313 174.900 -0.514 0.000 1.154 87 G CA 1.319 46.151 45.100 -0.447 0.000 0.767 87 G HN 0.597 nan 8.290 nan 0.000 0.552 88 C N 0.880 120.007 119.300 -0.288 0.000 2.429 88 C HA 0.079 4.542 4.460 0.005 0.000 0.277 88 C C 3.239 178.157 174.990 -0.119 0.000 1.262 88 C CA 0.587 59.444 59.018 -0.269 0.000 1.733 88 C CB -1.253 26.036 27.740 -0.751 0.000 2.010 88 C HN 0.487 nan 8.230 nan 0.000 0.483 89 G N -0.357 108.365 108.800 -0.131 0.000 2.402 89 G HA2 -0.250 3.713 3.960 0.005 0.000 0.216 89 G HA3 -0.250 3.713 3.960 0.005 0.000 0.216 89 G C 1.576 176.436 174.900 -0.066 0.000 1.162 89 G CA 1.142 46.243 45.100 0.001 0.000 0.777 89 G HN 0.548 nan 8.290 nan 0.000 0.539 90 Q N -0.419 119.244 119.800 -0.228 0.000 2.079 90 Q HA -0.067 4.276 4.340 0.005 0.000 0.200 90 Q C 2.250 178.131 176.000 -0.199 0.000 0.974 90 Q CA 1.336 56.975 55.803 -0.273 0.000 0.840 90 Q CB -0.423 28.048 28.738 -0.444 0.000 0.898 90 Q HN 0.553 nan 8.270 nan 0.000 0.430 91 Y N -0.097 120.217 120.300 0.024 0.000 2.200 91 Y HA -0.084 4.468 4.550 0.004 0.000 0.290 91 Y C 2.612 178.543 175.900 0.052 0.000 1.137 91 Y CA 1.312 59.431 58.100 0.032 0.000 1.163 91 Y CB -1.044 37.430 38.460 0.024 0.000 0.988 91 Y HN 0.318 nan 8.280 nan 0.000 0.518 92 S N 0.390 116.205 115.700 0.192 0.000 2.522 92 S HA -0.073 4.400 4.470 0.005 0.000 0.227 92 S C 1.133 175.793 174.600 0.099 0.000 0.986 92 S CA -0.330 57.961 58.200 0.152 0.000 0.929 92 S CB -0.468 62.849 63.200 0.194 0.000 0.769 92 S HN 0.332 nan 8.310 nan 0.000 0.529 93 R N 1.382 121.926 120.500 0.073 0.000 2.484 93 R HA 0.332 4.675 4.340 0.005 0.000 0.293 93 R C 0.960 177.301 176.300 0.068 0.000 1.023 93 R CA 0.729 56.862 56.100 0.055 0.000 1.037 93 R CB -0.329 29.981 30.300 0.017 0.000 0.951 93 R HN 0.496 nan 8.270 nan 0.000 0.418 94 A N 3.039 125.905 122.820 0.077 0.000 2.790 94 A HA -0.242 4.081 4.320 0.005 0.000 0.277 94 A C 1.373 179.021 177.584 0.107 0.000 1.435 94 A CA 1.437 53.532 52.037 0.097 0.000 0.877 94 A CB -2.173 16.880 19.000 0.088 0.000 1.007 94 A HN 1.057 nan 8.150 nan 0.000 0.613 95 G N -0.844 108.014 108.800 0.097 0.000 2.402 95 G HA2 0.080 4.043 3.960 0.005 0.000 0.216 95 G HA3 0.080 4.043 3.960 0.005 0.000 0.216 95 G C 0.772 175.732 174.900 0.100 0.000 1.162 95 G CA 1.046 46.207 45.100 0.102 0.000 0.777 95 G HN 0.909 nan 8.290 nan 0.000 0.539 96 R N 0.499 121.043 120.500 0.073 0.000 2.346 96 R HA 0.363 4.706 4.340 0.005 0.000 0.311 96 R C -0.103 176.252 176.300 0.091 0.000 0.983 96 R CA -0.689 55.437 56.100 0.044 0.000 0.880 96 R CB 0.650 30.944 30.300 -0.009 0.000 1.100 96 R HN 0.058 nan 8.270 nan 0.000 0.453 97 R N 4.198 124.748 120.500 0.084 0.000 4.164 97 R HA 0.101 4.444 4.340 0.005 0.000 0.195 97 R C -0.630 175.766 176.300 0.159 0.000 1.712 97 R CA -0.155 56.060 56.100 0.193 0.000 1.457 97 R CB -0.488 29.885 30.300 0.121 0.000 1.387 97 R HN 0.554 nan 8.270 nan 0.000 0.785 98 N N 2.324 121.134 118.700 0.183 0.000 2.521 98 N HA 0.048 4.791 4.740 0.005 0.000 0.236 98 N C -0.690 174.991 175.510 0.285 0.000 1.067 98 N CA -0.343 52.786 53.050 0.131 0.000 0.939 98 N CB 0.576 39.124 38.487 0.103 0.000 1.201 98 N HN 0.128 nan 8.380 nan 0.000 0.511 99 Y N 2.379 122.620 120.300 -0.098 0.000 2.511 99 Y HA 0.058 4.611 4.550 0.004 0.000 0.332 99 Y C 0.373 176.217 175.900 -0.094 0.000 1.177 99 Y CA -0.752 57.271 58.100 -0.129 0.000 1.422 99 Y CB -0.025 38.229 38.460 -0.343 0.000 1.271 99 Y HN 0.475 nan 8.280 nan 0.000 0.550 100 Y N 0.927 121.281 120.300 0.089 0.000 2.615 100 Y HA 0.766 5.319 4.550 0.005 0.000 0.341 100 Y C -1.724 174.367 175.900 0.317 0.000 1.089 100 Y CA -1.909 56.328 58.100 0.228 0.000 1.049 100 Y CB 1.109 39.639 38.460 0.117 0.000 1.296 100 Y HN 0.219 nan 8.280 nan 0.000 0.470 101 I N 2.465 123.234 120.570 0.332 0.000 2.389 101 I HA 0.824 4.997 4.170 0.005 0.000 0.288 101 I C 0.255 176.467 176.117 0.158 0.000 0.999 101 I CA -0.372 60.986 61.300 0.097 0.000 1.129 101 I CB 0.738 38.781 38.000 0.072 0.000 1.288 101 I HN 1.019 nan 8.210 nan 0.000 0.444 102 G N 4.090 112.932 108.800 0.069 0.000 2.342 102 G HA2 0.393 4.356 3.960 0.005 0.000 0.297 102 G HA3 0.393 4.356 3.960 0.005 0.000 0.297 102 G C -1.539 173.392 174.900 0.052 0.000 1.313 102 G CA -0.459 44.707 45.100 0.110 0.000 0.830 102 G HN 0.328 nan 8.290 nan 0.000 0.506 103 T N 1.734 116.297 114.554 0.015 0.000 2.770 103 T HA 0.555 4.908 4.350 0.005 0.000 0.297 103 T C 0.192 174.881 174.700 -0.018 0.000 0.997 103 T CA -0.148 61.955 62.100 0.006 0.000 0.949 103 T CB 0.930 69.800 68.868 0.004 0.000 0.941 103 T HN 0.602 nan 8.240 nan 0.000 0.457 104 T N 2.348 116.926 114.554 0.039 0.000 2.884 104 T HA 0.457 4.810 4.350 0.005 0.000 0.298 104 T C 1.563 176.320 174.700 0.095 0.000 0.998 104 T CA 0.337 62.465 62.100 0.047 0.000 1.124 104 T CB 0.846 69.800 68.868 0.143 0.000 0.931 104 T HN 0.928 nan 8.240 nan 0.000 0.531 105 G N 1.647 110.540 108.800 0.155 0.000 2.234 105 G HA2 -0.295 3.668 3.960 0.005 0.000 0.260 105 G HA3 -0.295 3.668 3.960 0.005 0.000 0.260 105 G C 0.733 175.972 174.900 0.565 0.000 0.987 105 G CA 0.386 45.785 45.100 0.498 0.000 0.625 105 G HN 0.628 nan 8.290 nan 0.000 0.532 106 V N 1.180 121.225 119.914 0.217 0.000 2.721 106 V HA 0.159 4.282 4.120 0.005 0.000 0.236 106 V C 2.103 178.270 176.094 0.121 0.000 1.116 106 V CA 1.907 64.343 62.300 0.227 0.000 1.148 106 V CB 0.083 31.973 31.823 0.112 0.000 0.886 106 V HN 0.657 nan 8.190 nan 0.000 0.490 107 N N 0.543 119.127 118.700 -0.193 0.000 2.257 107 N HA 0.214 4.957 4.740 0.005 0.000 0.200 107 N C 0.177 175.277 175.510 -0.683 0.000 1.163 107 N CA 0.688 53.589 53.050 -0.248 0.000 0.891 107 N CB 1.423 39.871 38.487 -0.064 0.000 1.067 107 N HN 0.376 nan 8.380 nan 0.000 0.497 108 A N 0.464 122.761 122.820 -0.873 0.000 2.343 108 A HA 0.665 4.988 4.320 0.005 0.000 0.316 108 A C -1.412 175.575 177.584 -0.996 0.000 1.104 108 A CA -0.629 50.962 52.037 -0.744 0.000 0.768 108 A CB 0.475 19.395 19.000 -0.133 0.000 1.213 108 A HN 0.168 nan 8.150 nan 0.000 0.456 109 F N 2.297 122.199 119.950 -0.079 0.000 2.850 109 F HA 0.211 4.741 4.527 0.005 0.000 0.329 109 F C 1.262 177.029 175.800 -0.055 0.000 1.182 109 F CA -0.262 57.727 58.000 -0.018 0.000 1.270 109 F CB 0.115 39.120 39.000 0.009 0.000 0.979 109 F HN 0.326 nan 8.300 nan 0.000 0.506 110 V N -0.066 119.716 119.914 -0.221 0.000 2.295 110 V HA -0.271 3.852 4.120 0.005 0.000 0.246 110 V C 2.574 178.688 176.094 0.035 0.000 1.049 110 V CA 2.692 64.888 62.300 -0.174 0.000 1.024 110 V CB -0.979 30.495 31.823 -0.583 0.000 0.648 110 V HN 0.620 nan 8.190 nan 0.000 0.447 111 T N -2.686 111.929 114.554 0.103 0.000 3.055 111 T HA 0.074 4.427 4.350 0.005 0.000 0.265 111 T C 0.791 175.523 174.700 0.054 0.000 1.111 111 T CA 0.294 62.464 62.100 0.116 0.000 1.118 111 T CB -0.344 68.612 68.868 0.146 0.000 0.909 111 T HN 0.282 nan 8.240 nan 0.000 0.501 112 M N 2.621 122.247 119.600 0.043 0.000 2.248 112 M HA 0.246 4.729 4.480 0.005 0.000 0.337 112 M C 0.081 176.252 176.300 -0.216 0.000 1.121 112 M CA -0.237 54.983 55.300 -0.134 0.000 1.155 112 M CB 0.202 32.668 32.600 -0.223 0.000 1.514 112 M HN 0.088 nan 8.290 nan 0.000 0.452 113 N N 2.613 121.094 118.700 -0.364 0.000 2.444 113 N HA 0.420 5.163 4.740 0.005 0.000 0.262 113 N C -2.077 173.166 175.510 -0.445 0.000 0.974 113 N CA -0.198 52.704 53.050 -0.247 0.000 0.933 113 N CB 0.435 38.838 38.487 -0.139 0.000 1.137 113 N HN 0.373 nan 8.380 nan 0.000 0.498 114 F N 1.258 121.180 119.950 -0.046 0.000 2.449 114 F HA 0.446 4.977 4.527 0.007 0.000 0.342 114 F C 0.860 176.644 175.800 -0.028 0.000 1.127 114 F CA -0.588 57.371 58.000 -0.069 0.000 0.975 114 F CB 2.214 41.125 39.000 -0.148 0.000 1.146 114 F HN 0.227 nan 8.300 nan 0.000 0.444 115 T N 0.122 114.755 114.554 0.131 0.000 2.916 115 T HA 0.298 4.651 4.350 0.005 0.000 0.305 115 T C 0.693 175.473 174.700 0.134 0.000 1.119 115 T CA -0.246 61.916 62.100 0.103 0.000 1.008 115 T CB 1.402 70.293 68.868 0.039 0.000 1.129 115 T HN 0.583 nan 8.240 nan 0.000 0.480 116 S N 2.278 118.096 115.700 0.196 0.000 2.461 116 S HA 0.066 4.539 4.470 0.005 0.000 0.228 116 S C 0.728 175.498 174.600 0.284 0.000 1.005 116 S CA 1.041 59.430 58.200 0.315 0.000 0.942 116 S CB -0.532 63.057 63.200 0.648 0.000 0.776 116 S HN 0.979 nan 8.310 nan 0.000 0.514 117 D N 0.594 121.113 120.400 0.200 0.000 2.737 117 D HA -0.166 4.477 4.640 0.005 0.000 0.238 117 D C -1.171 175.262 176.300 0.222 0.000 1.157 117 D CA 0.216 54.303 54.000 0.144 0.000 0.694 117 D CB -2.021 38.823 40.800 0.073 0.000 1.021 117 D HN 0.270 nan 8.370 nan 0.000 0.420 118 F N 0.938 120.848 119.950 -0.067 0.000 2.607 118 F HA 0.208 4.738 4.527 0.005 0.000 0.374 118 F C 1.582 177.333 175.800 -0.083 0.000 1.104 118 F CA 0.252 58.200 58.000 -0.086 0.000 1.296 118 F CB 0.520 39.446 39.000 -0.124 0.000 1.085 118 F HN 0.107 nan 8.300 nan 0.000 0.584 119 Q N 1.520 121.323 119.800 0.005 0.000 2.712 119 Q HA 0.200 4.543 4.340 0.005 0.000 0.267 119 Q C 1.082 177.017 176.000 -0.107 0.000 1.062 119 Q CA -0.658 55.115 55.803 -0.050 0.000 0.888 119 Q CB 0.835 29.524 28.738 -0.082 0.000 1.374 119 Q HN 0.694 nan 8.270 nan 0.000 0.498 120 E N 0.673 120.796 120.200 -0.128 0.000 2.204 120 E HA -0.164 4.189 4.350 0.005 0.000 0.194 120 E C 1.602 178.006 176.600 -0.328 0.000 0.989 120 E CA 1.017 57.314 56.400 -0.173 0.000 0.824 120 E CB 0.283 29.900 29.700 -0.139 0.000 0.756 120 E HN 0.445 nan 8.360 nan 0.000 0.477 121 K N 0.632 120.787 120.400 -0.407 0.000 2.057 121 K HA -0.205 4.118 4.320 0.005 0.000 0.207 121 K C 1.220 177.387 176.600 -0.721 0.000 1.049 121 K CA 1.853 57.693 56.287 -0.745 0.000 0.931 121 K CB -0.044 32.174 32.500 -0.470 0.000 0.714 121 K HN 0.079 nan 8.250 nan 0.000 0.440 122 D N 1.110 121.224 120.400 -0.477 0.000 2.117 122 D HA -0.131 4.512 4.640 0.005 0.000 0.198 122 D C 2.082 178.144 176.300 -0.397 0.000 0.982 122 D CA 0.823 54.492 54.000 -0.552 0.000 0.828 122 D CB -0.048 40.149 40.800 -1.005 0.000 0.967 122 D HN 0.220 nan 8.370 nan 0.000 0.464 123 I N 0.949 121.379 120.570 -0.234 0.000 2.252 123 I HA -0.168 4.005 4.170 0.005 0.000 0.245 123 I C 2.496 178.558 176.117 -0.092 0.000 1.102 123 I CA 0.656 61.922 61.300 -0.058 0.000 1.385 123 I CB -0.803 37.189 38.000 -0.014 0.000 1.064 123 I HN -0.106 nan 8.210 nan 0.000 0.414 124 V N 0.827 120.618 119.914 -0.205 0.000 2.270 124 V HA -0.263 3.860 4.120 0.005 0.000 0.245 124 V C 2.376 178.532 176.094 0.102 0.000 1.043 124 V CA 1.802 64.038 62.300 -0.108 0.000 1.014 124 V CB -0.824 30.866 31.823 -0.220 0.000 0.645 124 V HN 0.219 nan 8.190 nan 0.000 0.447 125 F N 0.723 120.637 119.950 -0.060 0.000 2.146 125 F HA 0.341 4.871 4.527 0.005 0.000 0.298 125 F C 1.439 177.205 175.800 -0.056 0.000 1.096 125 F CA 0.615 58.580 58.000 -0.059 0.000 1.275 125 F CB -0.250 38.707 39.000 -0.072 0.000 1.008 125 F HN 0.422 nan 8.300 nan 0.000 0.480 126 G N -0.435 108.406 108.800 0.068 0.000 2.576 126 G HA2 0.058 4.021 3.960 0.005 0.000 0.686 126 G HA3 0.058 4.021 3.960 0.005 0.000 0.686 126 G C 0.222 175.082 174.900 -0.066 0.000 1.242 126 G CA -0.672 44.443 45.100 0.026 0.000 0.819 126 G HN 0.365 nan 8.290 nan 0.000 0.655 127 G N -0.772 108.005 108.800 -0.038 0.000 3.042 127 G HA2 0.304 4.267 3.960 0.005 0.000 0.212 127 G HA3 0.304 4.267 3.960 0.005 0.000 0.212 127 G C 0.951 175.963 174.900 0.186 0.000 1.166 127 G CA 1.296 46.380 45.100 -0.025 0.000 0.767 127 G HN 0.646 nan 8.290 nan 0.000 0.546 128 D N 1.721 122.206 120.400 0.141 0.000 2.117 128 D HA -0.087 4.556 4.640 0.005 0.000 0.197 128 D C 2.196 178.532 176.300 0.061 0.000 0.987 128 D CA 0.950 55.017 54.000 0.112 0.000 0.829 128 D CB 0.135 40.981 40.800 0.077 0.000 0.961 128 D HN 0.177 nan 8.370 nan 0.000 0.460 129 K N 1.207 121.631 120.400 0.040 0.000 2.057 129 K HA -0.082 4.241 4.320 0.005 0.000 0.207 129 K C 1.988 178.599 176.600 0.019 0.000 1.049 129 K CA 0.730 57.029 56.287 0.020 0.000 0.931 129 K CB -0.195 32.314 32.500 0.014 0.000 0.714 129 K HN 0.030 nan 8.250 nan 0.000 0.440 130 K N 0.439 120.853 120.400 0.024 0.000 2.057 130 K HA -0.096 4.227 4.320 0.005 0.000 0.207 130 K C 1.971 178.606 176.600 0.059 0.000 1.049 130 K CA 0.964 57.269 56.287 0.030 0.000 0.931 130 K CB -0.169 32.328 32.500 -0.004 0.000 0.714 130 K HN 0.019 nan 8.250 nan 0.000 0.440 131 L N 0.992 122.266 121.223 0.086 0.000 2.083 131 L HA -0.124 4.219 4.340 0.005 0.000 0.209 131 L C 2.128 178.965 176.870 -0.055 0.000 1.083 131 L CA 2.032 56.857 54.840 -0.024 0.000 0.752 131 L CB -0.699 41.275 42.059 -0.142 0.000 0.899 131 L HN 0.201 nan 8.230 nan 0.000 0.433 132 A N -0.843 121.960 122.820 -0.028 0.000 1.898 132 A HA -0.218 4.105 4.320 0.005 0.000 0.216 132 A C 2.343 179.912 177.584 -0.025 0.000 1.181 132 A CA 1.775 53.791 52.037 -0.034 0.000 0.620 132 A CB -0.541 18.448 19.000 -0.018 0.000 0.819 132 A HN 0.387 nan 8.150 nan 0.000 0.442 133 K N 0.064 120.459 120.400 -0.009 0.000 2.057 133 K HA -0.028 4.295 4.320 0.005 0.000 0.206 133 K C 1.822 178.422 176.600 -0.001 0.000 1.050 133 K CA 1.523 57.809 56.287 -0.003 0.000 0.935 133 K CB -0.625 31.878 32.500 0.006 0.000 0.715 133 K HN 0.433 nan 8.250 nan 0.000 0.439 134 L N 0.096 121.320 121.223 0.002 0.000 2.046 134 L HA -0.062 4.281 4.340 0.005 0.000 0.208 134 L C 2.061 178.914 176.870 -0.027 0.000 1.077 134 L CA 1.398 56.241 54.840 0.006 0.000 0.747 134 L CB -0.210 41.858 42.059 0.015 0.000 0.896 134 L HN 0.201 nan 8.230 nan 0.000 0.432 135 I N 0.011 120.545 120.570 -0.060 0.000 2.208 135 I HA -0.301 3.872 4.170 0.005 0.000 0.245 135 I C 2.071 178.153 176.117 -0.057 0.000 1.097 135 I CA 1.408 62.656 61.300 -0.085 0.000 1.363 135 I CB -0.582 37.358 38.000 -0.101 0.000 1.051 135 I HN 0.360 nan 8.210 nan 0.000 0.413 136 D N 0.637 121.015 120.400 -0.037 0.000 2.117 136 D HA -0.186 4.457 4.640 0.005 0.000 0.197 136 D C 2.096 178.388 176.300 -0.014 0.000 0.987 136 D CA 1.267 55.252 54.000 -0.025 0.000 0.829 136 D CB -0.123 40.666 40.800 -0.017 0.000 0.961 136 D HN 0.384 nan 8.370 nan 0.000 0.460 137 E N 0.048 120.247 120.200 -0.002 0.000 2.077 137 E HA -0.113 4.240 4.350 0.005 0.000 0.193 137 E C 2.266 178.891 176.600 0.043 0.000 0.989 137 E CA 0.444 56.855 56.400 0.018 0.000 0.800 137 E CB 0.197 29.918 29.700 0.036 0.000 0.746 137 E HN 0.014 nan 8.360 nan 0.000 0.452 138 V N 1.031 120.970 119.914 0.042 0.000 2.343 138 V HA -0.256 3.867 4.120 0.005 0.000 0.247 138 V C 2.257 178.387 176.094 0.061 0.000 1.051 138 V CA 1.998 64.343 62.300 0.076 0.000 1.036 138 V CB -0.373 31.389 31.823 -0.102 0.000 0.654 138 V HN 0.218 nan 8.190 nan 0.000 0.451 139 E N 0.402 120.596 120.200 -0.010 0.000 2.072 139 E HA -0.194 4.159 4.350 0.005 0.000 0.191 139 E C 2.399 178.990 176.600 -0.016 0.000 0.985 139 E CA 1.887 58.276 56.400 -0.019 0.000 0.801 139 E CB -0.460 29.221 29.700 -0.032 0.000 0.750 139 E HN 0.715 nan 8.360 nan 0.000 0.452 140 T N -1.083 113.456 114.554 -0.025 0.000 2.777 140 T HA -0.102 4.251 4.350 0.005 0.000 0.266 140 T C 2.005 176.644 174.700 -0.101 0.000 1.040 140 T CA 1.330 63.402 62.100 -0.047 0.000 1.141 140 T CB -0.383 68.460 68.868 -0.042 0.000 0.868 140 T HN 0.176 nan 8.240 nan 0.000 0.444 141 L N -0.958 120.168 121.223 -0.162 0.000 2.056 141 L HA 0.202 4.545 4.340 0.005 0.000 0.207 141 L C 0.448 176.905 176.870 -0.688 0.000 1.078 141 L CA 0.912 55.485 54.840 -0.445 0.000 0.749 141 L CB -0.206 41.520 42.059 -0.554 0.000 0.901 141 L HN 0.269 nan 8.230 nan 0.000 0.433 142 F N -0.172 119.757 119.950 -0.036 0.000 2.453 142 F HA 0.300 4.829 4.527 0.004 0.000 0.358 142 F C -1.492 174.280 175.800 -0.046 0.000 1.129 142 F CA -1.987 55.991 58.000 -0.036 0.000 1.200 142 F CB 0.360 39.226 39.000 -0.225 0.000 1.431 142 F HN -0.169 nan 8.300 nan 0.000 0.503 143 P HA -0.122 nan 4.420 nan 0.000 0.220 143 P C 1.069 178.426 177.300 0.095 0.000 1.148 143 P CA 1.279 64.416 63.100 0.063 0.000 0.803 143 P CB 0.533 32.254 31.700 0.034 0.000 0.782 144 L N -0.464 120.861 121.223 0.170 0.000 2.592 144 L HA 0.091 4.434 4.340 0.005 0.000 0.227 144 L C 0.856 177.863 176.870 0.229 0.000 1.127 144 L CA -0.356 54.592 54.840 0.180 0.000 0.884 144 L CB -1.098 41.067 42.059 0.177 0.000 1.065 144 L HN 0.054 nan 8.230 nan 0.000 0.457 145 N N 0.142 118.973 118.700 0.219 0.000 2.492 145 N HA -0.046 4.697 4.740 0.005 0.000 0.260 145 N C 0.339 175.894 175.510 0.075 0.000 1.215 145 N CA 0.052 53.210 53.050 0.180 0.000 0.923 145 N CB 0.612 38.967 38.487 -0.220 0.000 1.092 145 N HN -0.019 nan 8.380 nan 0.000 0.448 146 K N 0.414 120.860 120.400 0.078 0.000 2.374 146 K HA 0.273 4.596 4.320 0.005 0.000 0.196 146 K C 0.076 176.679 176.600 0.004 0.000 1.023 146 K CA -0.175 56.135 56.287 0.037 0.000 1.103 146 K CB 0.490 33.019 32.500 0.047 0.000 0.848 146 K HN 0.759 nan 8.250 nan 0.000 0.528 147 G N 0.457 109.231 108.800 -0.043 0.000 2.451 147 G HA2 0.513 4.476 3.960 0.005 0.000 0.292 147 G HA3 0.513 4.476 3.960 0.005 0.000 0.292 147 G C -1.820 172.978 174.900 -0.169 0.000 1.427 147 G CA -0.744 44.317 45.100 -0.065 0.000 0.792 147 G HN -0.010 nan 8.290 nan 0.000 0.498 148 I N 0.524 120.987 120.570 -0.179 0.000 2.802 148 I HA 0.618 4.791 4.170 0.005 0.000 0.298 148 I C -0.326 175.628 176.117 -0.271 0.000 1.176 148 I CA -0.925 60.210 61.300 -0.274 0.000 1.025 148 I CB 2.622 40.461 38.000 -0.268 0.000 1.243 148 I HN 0.760 nan 8.210 nan 0.000 0.424 149 S N 4.397 119.918 115.700 -0.298 0.000 2.546 149 S HA 0.776 5.249 4.470 0.005 0.000 0.274 149 S C -1.339 173.057 174.600 -0.340 0.000 1.121 149 S CA -0.620 57.346 58.200 -0.389 0.000 0.887 149 S CB 2.183 65.127 63.200 -0.427 0.000 1.094 149 S HN 0.269 nan 8.310 nan 0.000 0.474 150 V N 3.620 123.291 119.914 -0.404 0.000 2.409 150 V HA 0.494 4.617 4.120 0.005 0.000 0.291 150 V C -0.781 175.148 176.094 -0.276 0.000 1.020 150 V CA -0.547 61.567 62.300 -0.310 0.000 0.848 150 V CB 1.524 33.136 31.823 -0.351 0.000 0.990 150 V HN 0.897 nan 8.190 nan 0.000 0.430 151 Q N 2.847 122.560 119.800 -0.145 0.000 2.347 151 Q HA 0.440 4.783 4.340 0.005 0.000 0.262 151 Q C -0.291 175.728 176.000 0.032 0.000 0.980 151 Q CA -0.268 55.484 55.803 -0.085 0.000 0.867 151 Q CB 1.852 30.577 28.738 -0.021 0.000 1.242 151 Q HN 0.692 nan 8.270 nan 0.000 0.453 152 S N 2.467 118.157 115.700 -0.016 0.000 2.505 152 S HA 0.168 4.641 4.470 0.005 0.000 0.276 152 S C 0.301 174.866 174.600 -0.057 0.000 1.274 152 S CA -0.399 57.784 58.200 -0.028 0.000 1.053 152 S CB 1.082 64.246 63.200 -0.060 0.000 0.919 152 S HN 0.409 nan 8.310 nan 0.000 0.490 153 E N 0.824 120.921 120.200 -0.171 0.000 2.602 153 E HA 0.187 4.540 4.350 0.005 0.000 0.255 153 E C 0.758 177.245 176.600 -0.189 0.000 1.268 153 E CA -0.706 55.534 56.400 -0.267 0.000 1.007 153 E CB 0.364 29.828 29.700 -0.394 0.000 1.208 153 E HN 0.664 nan 8.360 nan 0.000 0.584 154 C N 0.757 119.974 119.300 -0.138 0.000 2.429 154 C HA -0.078 4.385 4.460 0.005 0.000 0.277 154 C C -0.633 174.432 174.990 0.125 0.000 1.262 154 C CA 0.458 59.508 59.018 0.053 0.000 1.733 154 C CB -1.624 26.191 27.740 0.125 0.000 2.010 154 C HN 0.657 nan 8.230 nan 0.000 0.483 155 P HA -0.070 nan 4.420 nan 0.000 0.222 155 P C 1.451 178.741 177.300 -0.015 0.000 1.147 155 P CA 1.140 64.222 63.100 -0.028 0.000 0.790 155 P CB -0.259 31.384 31.700 -0.095 0.000 0.780 156 I N -0.695 119.825 120.570 -0.083 0.000 2.226 156 I HA -0.120 4.053 4.170 0.005 0.000 0.245 156 I C 2.389 178.553 176.117 0.080 0.000 1.100 156 I CA 2.009 63.286 61.300 -0.039 0.000 1.374 156 I CB -2.094 35.853 38.000 -0.088 0.000 1.057 156 I HN 0.030 nan 8.210 nan 0.000 0.413 157 G N 1.129 110.034 108.800 0.175 0.000 2.402 157 G HA2 -0.129 3.834 3.960 0.005 0.000 0.216 157 G HA3 -0.129 3.834 3.960 0.005 0.000 0.216 157 G C 1.826 176.852 174.900 0.211 0.000 1.162 157 G CA 0.301 45.578 45.100 0.296 0.000 0.777 157 G HN 0.306 nan 8.290 nan 0.000 0.539 158 L N 0.864 122.174 121.223 0.145 0.000 2.056 158 L HA 0.041 4.384 4.340 0.005 0.000 0.207 158 L C 2.747 179.619 176.870 0.003 0.000 1.078 158 L CA 1.072 55.893 54.840 -0.031 0.000 0.749 158 L CB -0.523 41.474 42.059 -0.103 0.000 0.901 158 L HN 0.399 nan 8.230 nan 0.000 0.433 159 I N -2.092 118.502 120.570 0.039 0.000 3.444 159 I HA 0.211 4.384 4.170 0.005 0.000 0.287 159 I C 1.210 177.360 176.117 0.055 0.000 1.302 159 I CA 0.659 61.987 61.300 0.047 0.000 1.368 159 I CB -0.538 37.507 38.000 0.076 0.000 1.048 159 I HN 0.303 nan 8.210 nan 0.000 0.487 160 G N 1.506 110.341 108.800 0.058 0.000 2.160 160 G HA2 -0.278 3.685 3.960 0.005 0.000 0.244 160 G HA3 -0.278 3.685 3.960 0.005 0.000 0.244 160 G C -0.364 174.577 174.900 0.069 0.000 1.022 160 G CA 0.333 45.467 45.100 0.057 0.000 0.741 160 G HN 0.555 nan 8.290 nan 0.000 0.508 161 D N 0.435 120.887 120.400 0.087 0.000 2.350 161 D HA 0.429 5.072 4.640 0.005 0.000 0.249 161 D C -0.085 176.268 176.300 0.090 0.000 1.119 161 D CA 0.040 54.104 54.000 0.107 0.000 0.886 161 D CB 0.872 41.766 40.800 0.157 0.000 1.195 161 D HN 0.133 nan 8.370 nan 0.000 0.437 162 D N 2.629 123.076 120.400 0.078 0.000 2.427 162 D HA 0.109 4.752 4.640 0.005 0.000 0.226 162 D C 0.891 177.219 176.300 0.047 0.000 1.076 162 D CA -0.454 53.581 54.000 0.058 0.000 0.849 162 D CB 0.576 41.406 40.800 0.049 0.000 1.052 162 D HN 0.464 nan 8.370 nan 0.000 0.515 163 I N 0.417 121.003 120.570 0.027 0.000 3.603 163 I HA 0.156 4.329 4.170 0.005 0.000 0.297 163 I C 1.203 177.267 176.117 -0.087 0.000 1.269 163 I CA -0.017 61.265 61.300 -0.030 0.000 1.361 163 I CB 0.253 38.220 38.000 -0.055 0.000 1.063 163 I HN 0.036 nan 8.210 nan 0.000 0.448 164 E N 1.900 122.079 120.200 -0.034 0.000 2.072 164 E HA -0.107 4.246 4.350 0.005 0.000 0.191 164 E C 2.313 178.943 176.600 0.050 0.000 0.985 164 E CA 1.719 58.123 56.400 0.006 0.000 0.801 164 E CB -0.123 29.662 29.700 0.142 0.000 0.750 164 E HN 0.493 nan 8.360 nan 0.000 0.452 165 S N -0.044 115.685 115.700 0.048 0.000 2.368 165 S HA -0.114 4.360 4.470 0.005 0.000 0.224 165 S C 2.158 176.769 174.600 0.018 0.000 1.029 165 S CA 1.030 59.260 58.200 0.049 0.000 0.988 165 S CB -0.250 62.974 63.200 0.040 0.000 0.838 165 S HN 0.047 nan 8.310 nan 0.000 0.462 166 V N 1.760 121.666 119.914 -0.014 0.000 2.358 166 V HA -0.136 3.987 4.120 0.005 0.000 0.246 166 V C 2.460 178.512 176.094 -0.070 0.000 1.047 166 V CA 1.813 64.090 62.300 -0.038 0.000 1.035 166 V CB -0.914 30.877 31.823 -0.053 0.000 0.658 166 V HN 0.415 nan 8.190 nan 0.000 0.452 167 S N -0.867 114.761 115.700 -0.121 0.000 2.368 167 S HA -0.178 4.296 4.470 0.005 0.000 0.224 167 S C 2.062 176.618 174.600 -0.073 0.000 1.029 167 S CA 1.346 59.431 58.200 -0.192 0.000 0.988 167 S CB -0.222 62.729 63.200 -0.416 0.000 0.838 167 S HN 0.502 nan 8.310 nan 0.000 0.462 168 K N 0.669 121.090 120.400 0.034 0.000 2.057 168 K HA -0.013 4.310 4.320 0.005 0.000 0.206 168 K C 2.039 178.685 176.600 0.077 0.000 1.050 168 K CA 1.002 57.380 56.287 0.150 0.000 0.935 168 K CB -0.272 32.350 32.500 0.203 0.000 0.715 168 K HN 0.156 nan 8.250 nan 0.000 0.439 169 V N 1.772 121.709 119.914 0.040 0.000 2.307 169 V HA -0.223 3.900 4.120 0.005 0.000 0.245 169 V C 2.194 178.292 176.094 0.008 0.000 1.045 169 V CA 1.571 63.885 62.300 0.023 0.000 1.024 169 V CB -0.243 31.588 31.823 0.014 0.000 0.651 169 V HN 0.233 nan 8.190 nan 0.000 0.449 170 K N 0.536 120.929 120.400 -0.012 0.000 2.057 170 K HA -0.045 4.278 4.320 0.005 0.000 0.206 170 K C 2.248 178.837 176.600 -0.018 0.000 1.050 170 K CA 1.459 57.731 56.287 -0.025 0.000 0.935 170 K CB -1.213 31.255 32.500 -0.053 0.000 0.715 170 K HN 0.504 nan 8.250 nan 0.000 0.439 171 G N 1.349 110.143 108.800 -0.012 0.000 2.440 171 G HA2 -0.268 3.695 3.960 0.005 0.000 0.218 171 G HA3 -0.268 3.695 3.960 0.005 0.000 0.218 171 G C 1.726 176.640 174.900 0.024 0.000 1.154 171 G CA 1.414 46.519 45.100 0.007 0.000 0.767 171 G HN 0.389 nan 8.290 nan 0.000 0.552 172 A N 0.674 123.514 122.820 0.033 0.000 1.898 172 A HA -0.015 4.309 4.320 0.005 0.000 0.216 172 A C 2.171 179.766 177.584 0.018 0.000 1.181 172 A CA 2.042 54.098 52.037 0.032 0.000 0.620 172 A CB -0.473 18.548 19.000 0.035 0.000 0.819 172 A HN 0.502 nan 8.150 nan 0.000 0.442 173 E N -0.093 120.113 120.200 0.010 0.000 2.072 173 E HA -0.112 4.241 4.350 0.005 0.000 0.191 173 E C 1.595 178.196 176.600 0.001 0.000 0.985 173 E CA 1.135 57.537 56.400 0.004 0.000 0.801 173 E CB -0.179 29.520 29.700 -0.002 0.000 0.750 173 E HN 0.598 nan 8.360 nan 0.000 0.452 174 L N 0.286 121.506 121.223 -0.004 0.000 2.591 174 L HA 0.145 4.488 4.340 0.005 0.000 0.228 174 L C 0.525 177.395 176.870 0.001 0.000 1.133 174 L CA 0.131 54.966 54.840 -0.007 0.000 0.880 174 L CB 0.092 42.138 42.059 -0.021 0.000 1.033 174 L HN 0.011 nan 8.230 nan 0.000 0.450 175 S N 0.406 116.112 115.700 0.009 0.000 3.581 175 S HA -0.228 4.245 4.470 0.005 0.000 0.354 175 S C 0.217 174.827 174.600 0.017 0.000 1.059 175 S CA 1.001 59.212 58.200 0.018 0.000 1.060 175 S CB -1.248 61.962 63.200 0.017 0.000 0.908 175 S HN 0.581 nan 8.310 nan 0.000 0.475 176 K N 0.680 121.086 120.400 0.010 0.000 2.375 176 K HA 0.484 4.807 4.320 0.005 0.000 0.249 176 K C -0.512 176.095 176.600 0.011 0.000 0.942 176 K CA -0.609 55.679 56.287 0.002 0.000 0.806 176 K CB 1.247 33.733 32.500 -0.023 0.000 1.227 176 K HN 0.087 nan 8.250 nan 0.000 0.430 177 T N 3.769 118.335 114.554 0.020 0.000 2.761 177 T HA 0.364 4.717 4.350 0.005 0.000 0.296 177 T C 0.037 174.724 174.700 -0.022 0.000 0.934 177 T CA -0.231 61.895 62.100 0.044 0.000 1.091 177 T CB -0.011 68.907 68.868 0.082 0.000 0.896 177 T HN 0.359 nan 8.240 nan 0.000 0.515 178 I N 3.190 123.722 120.570 -0.063 0.000 2.418 178 I HA 0.349 4.522 4.170 0.005 0.000 0.287 178 I C -0.556 175.334 176.117 -0.378 0.000 1.008 178 I CA -1.111 60.067 61.300 -0.204 0.000 1.104 178 I CB 1.966 39.843 38.000 -0.205 0.000 1.264 178 I HN 0.308 nan 8.210 nan 0.000 0.438 179 V N 8.276 127.903 119.914 -0.478 0.000 2.328 179 V HA 0.327 4.450 4.120 0.005 0.000 0.278 179 V C -2.113 173.461 176.094 -0.868 0.000 1.021 179 V CA -1.722 60.113 62.300 -0.775 0.000 0.838 179 V CB 1.103 32.547 31.823 -0.632 0.000 0.999 179 V HN 0.544 nan 8.190 nan 0.000 0.447 180 P HA 0.321 nan 4.420 nan 0.000 0.280 180 P C -0.952 176.019 177.300 -0.549 0.000 1.244 180 P CA -0.141 62.560 63.100 -0.665 0.000 0.784 180 P CB 1.825 33.177 31.700 -0.580 0.000 0.913 181 V N 4.816 124.486 119.914 -0.407 0.000 2.525 181 V HA 0.338 4.461 4.120 0.005 0.000 0.299 181 V C 0.773 176.753 176.094 -0.190 0.000 1.034 181 V CA -0.637 61.475 62.300 -0.313 0.000 0.863 181 V CB 1.982 33.533 31.823 -0.454 0.000 0.999 181 V HN 0.417 nan 8.190 nan 0.000 0.423 182 R N 2.643 123.068 120.500 -0.125 0.000 4.071 182 R HA 0.203 4.546 4.340 0.005 0.000 0.220 182 R C 0.074 176.293 176.300 -0.135 0.000 1.614 182 R CA -0.189 55.845 56.100 -0.110 0.000 1.505 182 R CB 0.091 30.346 30.300 -0.075 0.000 1.384 182 R HN 0.896 nan 8.270 nan 0.000 0.758 183 C N -0.446 118.776 119.300 -0.129 0.000 2.687 183 C HA 0.349 4.812 4.460 0.005 0.000 0.490 183 C C 0.199 175.094 174.990 -0.158 0.000 1.265 183 C CA -1.354 57.586 59.018 -0.130 0.000 1.569 183 C CB -1.522 26.165 27.740 -0.088 0.000 2.080 183 C HN 0.398 nan 8.230 nan 0.000 0.618 184 E N 0.860 120.871 120.200 -0.314 0.000 2.392 184 E HA 0.402 4.755 4.350 0.005 0.000 0.264 184 E C 1.524 177.829 176.600 -0.492 0.000 1.024 184 E CA 0.730 56.839 56.400 -0.484 0.000 0.903 184 E CB 0.764 29.894 29.700 -0.951 0.000 0.963 184 E HN 0.605 nan 8.360 nan 0.000 0.432 185 G N 2.369 110.994 108.800 -0.292 0.000 2.432 185 G HA2 -0.279 3.684 3.960 0.005 0.000 0.219 185 G HA3 -0.279 3.684 3.960 0.005 0.000 0.219 185 G C 1.168 175.985 174.900 -0.137 0.000 1.135 185 G CA 0.957 45.965 45.100 -0.153 0.000 0.767 185 G HN 0.645 nan 8.290 nan 0.000 0.550 186 F N 1.077 121.008 119.950 -0.031 0.000 2.293 186 F HA 0.288 4.818 4.527 0.005 0.000 0.300 186 F C 1.332 177.115 175.800 -0.027 0.000 1.086 186 F CA -0.610 57.373 58.000 -0.028 0.000 1.375 186 F CB -0.461 38.521 39.000 -0.029 0.000 1.045 186 F HN -0.125 nan 8.300 nan 0.000 0.516 187 R N 1.755 122.008 120.500 -0.411 0.000 2.590 187 R HA 0.412 4.755 4.340 0.005 0.000 0.274 187 R C 0.859 177.092 176.300 -0.111 0.000 1.061 187 R CA 0.444 56.424 56.100 -0.201 0.000 1.081 187 R CB -0.177 29.932 30.300 -0.319 0.000 0.984 187 R HN 0.568 nan 8.270 nan 0.000 0.448 188 G N 0.342 109.112 108.800 -0.050 0.000 2.741 188 G HA2 -0.260 3.703 3.960 0.005 0.000 0.222 188 G HA3 -0.260 3.703 3.960 0.005 0.000 0.222 188 G C 0.251 175.144 174.900 -0.012 0.000 1.364 188 G CA -0.258 44.817 45.100 -0.042 0.000 0.866 188 G HN 0.847 nan 8.290 nan 0.000 0.555 189 V N -3.566 116.346 119.914 -0.003 0.000 3.398 189 V HA 0.736 4.859 4.120 0.005 0.000 0.298 189 V C 0.634 176.745 176.094 0.028 0.000 1.496 189 V CA 1.584 63.897 62.300 0.022 0.000 1.044 189 V CB -0.203 31.643 31.823 0.039 0.000 0.880 189 V HN 2.509 nan 8.190 nan 0.000 0.443 190 S N -1.053 114.638 115.700 -0.015 0.000 2.703 190 S HA 0.414 4.887 4.470 0.005 0.000 0.273 190 S C 0.030 174.487 174.600 -0.238 0.000 1.178 190 S CA -0.229 57.945 58.200 -0.043 0.000 0.838 190 S CB 1.526 64.779 63.200 0.088 0.000 1.178 190 S HN 0.026 nan 8.310 nan 0.000 0.494 191 Q N 0.945 120.473 119.800 -0.454 0.000 2.439 191 Q HA 0.026 4.369 4.340 0.005 0.000 0.211 191 Q C 1.998 177.391 176.000 -1.012 0.000 0.978 191 Q CA 1.338 56.727 55.803 -0.690 0.000 0.897 191 Q CB -0.351 27.857 28.738 -0.883 0.000 0.956 191 Q HN 0.672 nan 8.270 nan 0.000 0.483 192 S N -0.124 115.055 115.700 -0.867 0.000 2.368 192 S HA -0.124 4.349 4.470 0.005 0.000 0.224 192 S C 1.651 176.072 174.600 -0.299 0.000 1.029 192 S CA 0.810 58.646 58.200 -0.606 0.000 0.988 192 S CB -0.119 63.078 63.200 -0.006 0.000 0.838 192 S HN 0.450 nan 8.310 nan 0.000 0.462 193 L N 1.658 122.775 121.223 -0.176 0.000 2.201 193 L HA 0.198 4.541 4.340 0.005 0.000 0.212 193 L C 2.251 179.037 176.870 -0.140 0.000 1.105 193 L CA 1.750 56.527 54.840 -0.105 0.000 0.775 193 L CB -1.067 40.931 42.059 -0.102 0.000 0.913 193 L HN 0.404 nan 8.230 nan 0.000 0.440 194 G N -1.814 106.854 108.800 -0.219 0.000 2.432 194 G HA2 -0.261 3.702 3.960 0.005 0.000 0.219 194 G HA3 -0.261 3.702 3.960 0.005 0.000 0.219 194 G C 1.285 176.159 174.900 -0.043 0.000 1.135 194 G CA 1.038 46.042 45.100 -0.159 0.000 0.767 194 G HN 0.612 nan 8.290 nan 0.000 0.550 195 H N -1.577 117.455 119.070 -0.063 0.000 2.357 195 H HA -0.029 4.530 4.556 0.005 0.000 0.301 195 H C 2.293 177.612 175.328 -0.015 0.000 1.082 195 H CA 1.164 57.210 56.048 -0.003 0.000 1.342 195 H CB -0.069 29.739 29.762 0.077 0.000 1.389 195 H HN 0.527 nan 8.280 nan 0.000 0.511 196 H N 0.268 119.218 119.070 -0.201 0.000 2.357 196 H HA -0.088 4.471 4.556 0.005 0.000 0.301 196 H C 2.176 177.366 175.328 -0.230 0.000 1.082 196 H CA 1.129 56.824 56.048 -0.589 0.000 1.342 196 H CB 0.167 29.449 29.762 -0.799 0.000 1.389 196 H HN 0.202 nan 8.280 nan 0.000 0.511 197 I N 0.360 120.939 120.570 0.015 0.000 2.226 197 I HA -0.259 3.914 4.170 0.005 0.000 0.245 197 I C 2.736 178.924 176.117 0.118 0.000 1.100 197 I CA 0.993 62.299 61.300 0.010 0.000 1.374 197 I CB -0.241 37.731 38.000 -0.046 0.000 1.057 197 I HN 0.375 nan 8.210 nan 0.000 0.413 198 A N 0.388 123.313 122.820 0.176 0.000 1.898 198 A HA -0.219 4.105 4.320 0.005 0.000 0.216 198 A C 2.106 179.893 177.584 0.339 0.000 1.181 198 A CA 1.881 54.155 52.037 0.396 0.000 0.620 198 A CB -0.925 18.292 19.000 0.362 0.000 0.819 198 A HN 0.466 nan 8.150 nan 0.000 0.442 199 N N -0.400 118.415 118.700 0.192 0.000 2.120 199 N HA -0.168 4.575 4.740 0.005 0.000 0.188 199 N C 1.052 176.664 175.510 0.171 0.000 1.024 199 N CA 1.444 54.593 53.050 0.165 0.000 0.852 199 N CB -0.186 38.400 38.487 0.165 0.000 1.003 199 N HN 0.392 nan 8.380 nan 0.000 0.424 200 D N 0.644 121.145 120.400 0.168 0.000 2.144 200 D HA -0.054 4.589 4.640 0.005 0.000 0.200 200 D C 1.847 178.266 176.300 0.199 0.000 0.978 200 D CA 0.704 54.787 54.000 0.139 0.000 0.833 200 D CB -0.247 40.626 40.800 0.121 0.000 0.961 200 D HN 0.245 nan 8.370 nan 0.000 0.470 201 A N 0.257 123.253 122.820 0.293 0.000 1.902 201 A HA -0.129 4.194 4.320 0.005 0.000 0.217 201 A C 2.449 180.365 177.584 0.553 0.000 1.181 201 A CA 1.153 53.447 52.037 0.430 0.000 0.623 201 A CB -0.749 18.446 19.000 0.325 0.000 0.818 201 A HN 0.143 nan 8.150 nan 0.000 0.443 202 V N 0.583 120.796 119.914 0.499 0.000 2.343 202 V HA -0.236 3.887 4.120 0.005 0.000 0.247 202 V C 2.769 179.000 176.094 0.229 0.000 1.051 202 V CA 2.203 64.697 62.300 0.323 0.000 1.036 202 V CB -0.811 30.995 31.823 -0.029 0.000 0.654 202 V HN 0.670 nan 8.190 nan 0.000 0.451 203 R N 0.362 120.955 120.500 0.155 0.000 2.066 203 R HA -0.160 4.183 4.340 0.005 0.000 0.232 203 R C 1.893 178.210 176.300 0.028 0.000 1.131 203 R CA 2.162 58.281 56.100 0.032 0.000 0.955 203 R CB -0.655 29.515 30.300 -0.216 0.000 0.851 203 R HN 0.519 nan 8.270 nan 0.000 0.432 204 D N -0.517 119.902 120.400 0.031 0.000 2.117 204 D HA -0.161 4.482 4.640 0.005 0.000 0.198 204 D C 1.763 177.907 176.300 -0.260 0.000 0.982 204 D CA 1.268 55.170 54.000 -0.164 0.000 0.828 204 D CB -0.397 40.233 40.800 -0.283 0.000 0.967 204 D HN 0.389 nan 8.370 nan 0.000 0.464 205 W N 0.192 121.539 121.300 0.077 0.000 2.812 205 W HA 0.132 4.796 4.660 0.006 0.000 0.263 205 W C 1.859 178.433 176.519 0.093 0.000 1.284 205 W CA -0.004 57.386 57.345 0.074 0.000 1.430 205 W CB 0.099 29.592 29.460 0.054 0.000 1.088 205 W HN -0.202 nan 8.180 nan 0.000 0.623 206 V N -0.841 119.259 119.914 0.309 0.000 3.539 206 V HA 0.053 4.176 4.120 0.005 0.000 0.262 206 V C 1.600 177.773 176.094 0.131 0.000 1.381 206 V CA 0.092 62.513 62.300 0.200 0.000 1.060 206 V CB -0.182 31.752 31.823 0.184 0.000 0.842 206 V HN -0.052 nan 8.190 nan 0.000 0.445 207 L N 2.229 123.544 121.223 0.153 0.000 2.056 207 L HA 0.151 4.495 4.340 0.005 0.000 0.207 207 L C 2.128 179.110 176.870 0.188 0.000 1.078 207 L CA 2.468 57.421 54.840 0.188 0.000 0.749 207 L CB -0.864 41.366 42.059 0.285 0.000 0.901 207 L HN 0.345 nan 8.230 nan 0.000 0.433 208 G N -1.593 107.322 108.800 0.191 0.000 3.124 208 G HA2 -0.108 3.855 3.960 0.005 0.000 0.212 208 G HA3 -0.108 3.855 3.960 0.005 0.000 0.212 208 G C 1.501 176.474 174.900 0.122 0.000 1.181 208 G CA 0.105 45.319 45.100 0.190 0.000 0.803 208 G HN 0.317 nan 8.290 nan 0.000 0.529 209 K N 0.751 121.209 120.400 0.097 0.000 2.057 209 K HA -0.002 4.321 4.320 0.005 0.000 0.206 209 K C 1.391 178.029 176.600 0.065 0.000 1.050 209 K CA 0.507 56.839 56.287 0.075 0.000 0.935 209 K CB -0.041 32.500 32.500 0.068 0.000 0.715 209 K HN 0.172 nan 8.250 nan 0.000 0.439 210 R N 1.290 121.823 120.500 0.055 0.000 3.782 210 R HA 0.045 4.388 4.340 0.005 0.000 0.291 210 R C 0.182 176.518 176.300 0.060 0.000 1.539 210 R CA -0.354 55.774 56.100 0.047 0.000 1.345 210 R CB 0.364 30.677 30.300 0.022 0.000 1.408 210 R HN 0.182 nan 8.270 nan 0.000 0.654 211 D N 1.861 122.315 120.400 0.090 0.000 2.117 211 D HA -0.129 4.514 4.640 0.005 0.000 0.198 211 D C 1.080 177.444 176.300 0.107 0.000 0.982 211 D CA 1.380 55.459 54.000 0.131 0.000 0.828 211 D CB 0.429 41.319 40.800 0.150 0.000 0.967 211 D HN 0.388 nan 8.370 nan 0.000 0.464 212 E N -0.020 120.228 120.200 0.081 0.000 2.474 212 E HA 0.003 4.356 4.350 0.005 0.000 0.195 212 E C 0.024 176.662 176.600 0.064 0.000 1.039 212 E CA -0.182 56.259 56.400 0.069 0.000 0.881 212 E CB 0.636 30.370 29.700 0.057 0.000 0.970 212 E HN 0.109 nan 8.360 nan 0.000 0.486 213 D N 1.604 122.044 120.400 0.066 0.000 2.317 213 D HA 0.015 4.658 4.640 0.005 0.000 0.252 213 D C 0.568 176.919 176.300 0.085 0.000 1.174 213 D CA 0.220 54.261 54.000 0.069 0.000 0.866 213 D CB 1.263 42.103 40.800 0.066 0.000 1.127 213 D HN -0.012 nan 8.370 nan 0.000 0.467 214 T N -0.780 113.821 114.554 0.079 0.000 3.129 214 T HA 0.009 4.362 4.350 0.005 0.000 0.267 214 T C 1.607 176.353 174.700 0.077 0.000 1.018 214 T CA 0.255 62.403 62.100 0.081 0.000 0.903 214 T CB -0.013 68.887 68.868 0.054 0.000 1.067 214 T HN 0.381 nan 8.240 nan 0.000 0.549 215 T N 0.235 114.845 114.554 0.094 0.000 2.777 215 T HA 0.045 4.398 4.350 0.005 0.000 0.266 215 T C 0.620 175.384 174.700 0.106 0.000 1.040 215 T CA -0.064 62.086 62.100 0.084 0.000 1.141 215 T CB -0.933 67.987 68.868 0.087 0.000 0.868 215 T HN 0.434 nan 8.240 nan 0.000 0.444 216 F N 3.608 123.569 119.950 0.019 0.000 2.578 216 F HA 0.480 5.010 4.527 0.005 0.000 0.381 216 F C 0.348 176.159 175.800 0.017 0.000 1.069 216 F CA -1.554 56.457 58.000 0.020 0.000 1.231 216 F CB -0.078 38.935 39.000 0.021 0.000 1.086 216 F HN 0.349 nan 8.300 nan 0.000 0.564 217 A N 5.278 127.683 122.820 -0.691 0.000 2.354 217 A HA 0.482 4.805 4.320 0.005 0.000 0.281 217 A C -0.164 176.783 177.584 -1.061 0.000 1.174 217 A CA 0.056 51.714 52.037 -0.631 0.000 0.828 217 A CB -0.162 18.647 19.000 -0.318 0.000 1.099 217 A HN 1.005 nan 8.150 nan 0.000 0.516 218 S N 2.435 117.740 115.700 -0.658 0.000 2.498 218 S HA 0.605 5.078 4.470 0.005 0.000 0.317 218 S C 0.060 174.561 174.600 -0.166 0.000 1.090 218 S CA 0.105 58.053 58.200 -0.420 0.000 1.089 218 S CB 1.064 64.172 63.200 -0.153 0.000 0.997 218 S HN 1.390 nan 8.310 nan 0.000 0.470 219 T N 1.585 116.086 114.554 -0.088 0.000 2.882 219 T HA 0.485 4.838 4.350 0.005 0.000 0.287 219 T C -1.407 173.255 174.700 -0.063 0.000 1.014 219 T CA -1.755 60.310 62.100 -0.059 0.000 1.049 219 T CB 0.989 69.875 68.868 0.030 0.000 1.001 219 T HN 0.491 nan 8.240 nan 0.000 0.525 220 P HA -0.054 nan 4.420 nan 0.000 0.226 220 P C 0.514 177.797 177.300 -0.029 0.000 1.153 220 P CA 0.898 63.882 63.100 -0.193 0.000 0.777 220 P CB -0.133 31.350 31.700 -0.362 0.000 0.794 221 Y N 0.042 120.421 120.300 0.132 0.000 2.490 221 Y HA 0.108 4.661 4.550 0.005 0.000 0.281 221 Y C 0.748 176.645 175.900 -0.005 0.000 1.174 221 Y CA -0.821 57.286 58.100 0.011 0.000 1.295 221 Y CB -1.192 37.195 38.460 -0.122 0.000 1.062 221 Y HN -0.081 nan 8.280 nan 0.000 0.522 222 D N 1.124 121.650 120.400 0.209 0.000 2.458 222 D HA 0.249 4.892 4.640 0.005 0.000 0.243 222 D C 0.155 176.562 176.300 0.178 0.000 1.146 222 D CA 0.488 54.595 54.000 0.179 0.000 0.877 222 D CB 1.165 42.089 40.800 0.206 0.000 1.176 222 D HN 0.064 nan 8.370 nan 0.000 0.461 223 V N -1.531 118.453 119.914 0.117 0.000 3.114 223 V HA 0.913 5.036 4.120 0.005 0.000 0.308 223 V C -0.946 175.170 176.094 0.037 0.000 1.168 223 V CA -1.256 61.098 62.300 0.089 0.000 1.015 223 V CB 1.930 33.797 31.823 0.073 0.000 1.050 223 V HN 0.557 nan 8.190 nan 0.000 0.433 224 A N 3.238 126.054 122.820 -0.007 0.000 2.343 224 A HA 0.880 5.203 4.320 0.005 0.000 0.316 224 A C -0.629 176.901 177.584 -0.091 0.000 1.104 224 A CA -0.709 51.301 52.037 -0.044 0.000 0.768 224 A CB 0.992 19.930 19.000 -0.104 0.000 1.213 224 A HN 0.938 nan 8.150 nan 0.000 0.456 225 I N 3.632 124.172 120.570 -0.050 0.000 2.396 225 I HA 0.209 4.382 4.170 0.005 0.000 0.289 225 I C -0.513 175.551 176.117 -0.088 0.000 1.056 225 I CA -0.114 61.160 61.300 -0.042 0.000 1.365 225 I CB 0.633 38.633 38.000 0.000 0.000 1.407 225 I HN 0.384 nan 8.210 nan 0.000 0.509 226 I N 5.283 125.782 120.570 -0.118 0.000 2.433 226 I HA 0.332 4.505 4.170 0.005 0.000 0.292 226 I C 0.980 177.007 176.117 -0.149 0.000 1.001 226 I CA -0.444 60.714 61.300 -0.237 0.000 1.119 226 I CB 0.947 38.715 38.000 -0.387 0.000 1.289 226 I HN 0.877 nan 8.210 nan 0.000 0.438 227 G N 4.213 112.876 108.800 -0.229 0.000 2.160 227 G HA2 -0.196 3.767 3.960 0.005 0.000 0.244 227 G HA3 -0.196 3.767 3.960 0.005 0.000 0.244 227 G C -0.143 174.497 174.900 -0.432 0.000 1.022 227 G CA -0.025 44.872 45.100 -0.338 0.000 0.741 227 G HN 0.671 nan 8.290 nan 0.000 0.508 228 D N -0.830 119.248 120.400 -0.536 0.000 2.492 228 D HA 0.519 5.162 4.640 0.005 0.000 0.248 228 D C 0.320 176.286 176.300 -0.558 0.000 1.101 228 D CA -0.730 53.057 54.000 -0.354 0.000 0.840 228 D CB 0.865 41.555 40.800 -0.182 0.000 1.209 228 D HN 0.110 nan 8.370 nan 0.000 0.524 229 Y N 2.265 122.522 120.300 -0.071 0.000 2.524 229 Y HA 0.130 4.683 4.550 0.005 0.000 0.266 229 Y C 1.087 176.894 175.900 -0.155 0.000 1.180 229 Y CA -0.509 57.533 58.100 -0.096 0.000 1.244 229 Y CB -0.174 38.233 38.460 -0.087 0.000 1.125 229 Y HN 0.406 nan 8.280 nan 0.000 0.524 230 N N 0.753 119.365 118.700 -0.147 0.000 2.721 230 N HA -0.180 4.563 4.740 0.005 0.000 0.249 230 N C -1.044 174.294 175.510 -0.287 0.000 1.072 230 N CA 0.205 53.080 53.050 -0.293 0.000 0.710 230 N CB -0.993 37.217 38.487 -0.461 0.000 0.993 230 N HN 0.076 nan 8.380 nan 0.000 0.547 231 I N 0.494 120.932 120.570 -0.220 0.000 2.587 231 I HA 0.209 4.382 4.170 0.005 0.000 0.284 231 I C 1.947 177.855 176.117 -0.349 0.000 1.134 231 I CA 1.171 62.304 61.300 -0.278 0.000 1.410 231 I CB -0.368 37.440 38.000 -0.321 0.000 1.392 231 I HN 0.475 nan 8.210 nan 0.000 0.545 232 G N 5.066 113.407 108.800 -0.764 0.000 2.168 232 G HA2 -0.125 3.838 3.960 0.005 0.000 0.257 232 G HA3 -0.125 3.838 3.960 0.005 0.000 0.257 232 G C 0.983 175.574 174.900 -0.514 0.000 0.997 232 G CA 0.560 45.166 45.100 -0.823 0.000 0.708 232 G HN 1.725 nan 8.290 nan 0.000 0.520 233 G N -1.131 107.374 108.800 -0.492 0.000 2.160 233 G HA2 -0.231 3.732 3.960 0.005 0.000 0.244 233 G HA3 -0.231 3.732 3.960 0.005 0.000 0.244 233 G C 0.719 175.563 174.900 -0.094 0.000 1.022 233 G CA 0.983 45.967 45.100 -0.194 0.000 0.741 233 G HN 0.568 nan 8.290 nan 0.000 0.508 234 D N 0.244 120.515 120.400 -0.215 0.000 2.117 234 D HA 0.048 4.691 4.640 0.005 0.000 0.198 234 D C 2.669 178.940 176.300 -0.049 0.000 0.982 234 D CA 1.661 55.520 54.000 -0.236 0.000 0.828 234 D CB -0.410 39.981 40.800 -0.681 0.000 0.967 234 D HN 0.683 nan 8.370 nan 0.000 0.464 235 A N 0.639 123.385 122.820 -0.124 0.000 1.898 235 A HA -0.159 4.164 4.320 0.005 0.000 0.216 235 A C 2.063 179.728 177.584 0.135 0.000 1.181 235 A CA 0.915 52.931 52.037 -0.035 0.000 0.620 235 A CB -0.973 17.937 19.000 -0.149 0.000 0.819 235 A HN 0.242 nan 8.150 nan 0.000 0.442 236 W N 1.123 122.466 121.300 0.072 0.000 2.358 236 W HA -0.164 4.498 4.660 0.003 0.000 0.303 236 W C 2.950 179.515 176.519 0.078 0.000 1.208 236 W CA 1.612 59.003 57.345 0.078 0.000 1.274 236 W CB -1.460 28.052 29.460 0.085 0.000 1.138 236 W HN 0.567 nan 8.180 nan 0.000 0.515 237 S N -0.641 115.243 115.700 0.307 0.000 2.383 237 S HA -0.132 4.341 4.470 0.005 0.000 0.227 237 S C 1.907 176.619 174.600 0.187 0.000 1.026 237 S CA 1.504 59.822 58.200 0.198 0.000 0.981 237 S CB -0.788 62.496 63.200 0.141 0.000 0.818 237 S HN 0.054 nan 8.310 nan 0.000 0.472 238 S N 1.755 117.599 115.700 0.239 0.000 2.368 238 S HA 0.003 4.476 4.470 0.005 0.000 0.224 238 S C 1.958 176.726 174.600 0.281 0.000 1.029 238 S CA 1.016 59.425 58.200 0.348 0.000 0.988 238 S CB -0.418 62.935 63.200 0.254 0.000 0.838 238 S HN 0.598 nan 8.310 nan 0.000 0.462 239 R N 0.940 121.567 120.500 0.211 0.000 2.081 239 R HA -0.007 4.336 4.340 0.005 0.000 0.235 239 R C 2.305 178.695 176.300 0.151 0.000 1.131 239 R CA 1.332 57.535 56.100 0.171 0.000 0.960 239 R CB -0.409 30.017 30.300 0.211 0.000 0.856 239 R HN 0.444 nan 8.270 nan 0.000 0.436 240 I N 0.737 121.401 120.570 0.158 0.000 2.394 240 I HA -0.255 3.918 4.170 0.005 0.000 0.251 240 I C 1.790 177.984 176.117 0.129 0.000 1.136 240 I CA 1.048 62.425 61.300 0.128 0.000 1.425 240 I CB 0.082 38.158 38.000 0.127 0.000 1.079 240 I HN 0.294 nan 8.210 nan 0.000 0.425 241 L N 0.166 121.469 121.223 0.133 0.000 2.056 241 L HA -0.212 4.131 4.340 0.005 0.000 0.207 241 L C 2.496 179.440 176.870 0.125 0.000 1.078 241 L CA 1.247 56.163 54.840 0.126 0.000 0.749 241 L CB -0.511 41.567 42.059 0.033 0.000 0.901 241 L HN 0.294 nan 8.230 nan 0.000 0.433 242 L N -0.719 120.580 121.223 0.127 0.000 2.093 242 L HA -0.170 4.173 4.340 0.005 0.000 0.208 242 L C 2.700 179.573 176.870 0.006 0.000 1.085 242 L CA 0.961 55.831 54.840 0.051 0.000 0.755 242 L CB -0.522 41.544 42.059 0.012 0.000 0.904 242 L HN 0.272 nan 8.230 nan 0.000 0.435 243 E N 0.240 120.460 120.200 0.033 0.000 2.072 243 E HA -0.218 4.135 4.350 0.005 0.000 0.191 243 E C 1.996 178.601 176.600 0.007 0.000 0.985 243 E CA 1.014 57.423 56.400 0.015 0.000 0.801 243 E CB -0.100 29.624 29.700 0.041 0.000 0.750 243 E HN 0.550 nan 8.360 nan 0.000 0.452 244 E N 0.281 120.509 120.200 0.047 0.000 2.204 244 E HA -0.069 4.284 4.350 0.005 0.000 0.194 244 E C 1.917 178.524 176.600 0.012 0.000 0.989 244 E CA 0.398 56.828 56.400 0.051 0.000 0.824 244 E CB -0.039 29.738 29.700 0.129 0.000 0.756 244 E HN 0.118 nan 8.360 nan 0.000 0.477 245 M N -1.103 118.497 119.600 -0.000 0.000 2.562 245 M HA -0.013 4.470 4.480 0.005 0.000 0.257 245 M C 0.973 177.191 176.300 -0.136 0.000 1.099 245 M CA 1.215 56.490 55.300 -0.042 0.000 1.099 245 M CB 0.530 33.114 32.600 -0.026 0.000 1.427 245 M HN 0.262 nan 8.290 nan 0.000 0.489 246 G N 0.442 109.149 108.800 -0.155 0.000 2.179 246 G HA2 -0.185 3.778 3.960 0.005 0.000 0.220 246 G HA3 -0.185 3.778 3.960 0.005 0.000 0.220 246 G C -0.015 174.684 174.900 -0.335 0.000 0.990 246 G CA -0.183 44.763 45.100 -0.257 0.000 0.646 246 G HN 0.393 nan 8.290 nan 0.000 0.517 247 L N 0.200 121.259 121.223 -0.274 0.000 2.418 247 L HA 0.612 4.955 4.340 0.005 0.000 0.265 247 L C 1.015 177.829 176.870 -0.092 0.000 1.143 247 L CA -0.806 53.881 54.840 -0.256 0.000 0.809 247 L CB 1.096 42.972 42.059 -0.306 0.000 1.124 247 L HN 0.212 nan 8.230 nan 0.000 0.456 248 R N 0.795 121.288 120.500 -0.011 0.000 2.338 248 R HA 0.398 4.741 4.340 0.005 0.000 0.317 248 R C -1.416 174.918 176.300 0.057 0.000 0.968 248 R CA -0.536 55.591 56.100 0.045 0.000 0.849 248 R CB 1.172 31.531 30.300 0.098 0.000 1.128 248 R HN 0.637 nan 8.270 nan 0.000 0.448 249 C N 5.369 124.704 119.300 0.059 0.000 2.200 249 C HA 0.180 4.643 4.460 0.005 0.000 0.328 249 C C 1.801 176.842 174.990 0.084 0.000 1.148 249 C CA -0.795 58.261 59.018 0.063 0.000 1.624 249 C CB 0.022 27.799 27.740 0.061 0.000 2.167 249 C HN 0.790 nan 8.230 nan 0.000 0.484 250 V N 2.627 122.593 119.914 0.087 0.000 2.358 250 V HA -0.015 4.108 4.120 0.005 0.000 0.246 250 V C 1.306 177.436 176.094 0.061 0.000 1.047 250 V CA 1.991 64.331 62.300 0.067 0.000 1.035 250 V CB -0.471 31.377 31.823 0.042 0.000 0.658 250 V HN 0.938 nan 8.190 nan 0.000 0.452 251 A N -0.885 121.991 122.820 0.094 0.000 2.475 251 A HA 0.725 5.048 4.320 0.005 0.000 0.301 251 A C -0.937 176.775 177.584 0.214 0.000 1.059 251 A CA -0.580 51.559 52.037 0.170 0.000 0.710 251 A CB 1.572 20.749 19.000 0.294 0.000 1.288 251 A HN 0.300 nan 8.150 nan 0.000 0.408 252 Q N 0.591 120.535 119.800 0.240 0.000 2.333 252 Q HA 0.416 4.759 4.340 0.005 0.000 0.268 252 Q C -1.948 174.207 176.000 0.260 0.000 1.007 252 Q CA -0.173 55.745 55.803 0.193 0.000 0.810 252 Q CB 2.033 30.829 28.738 0.097 0.000 1.264 252 Q HN 0.667 nan 8.270 nan 0.000 0.452 253 W N 1.589 122.767 121.300 -0.203 0.000 2.362 253 W HA 0.282 4.945 4.660 0.005 0.000 0.316 253 W C 0.359 176.553 176.519 -0.541 0.000 1.024 253 W CA -0.853 56.332 57.345 -0.267 0.000 1.270 253 W CB 1.444 30.769 29.460 -0.226 0.000 1.273 253 W HN 0.610 nan 8.180 nan 0.000 0.424 254 S N 0.729 116.267 115.700 -0.271 0.000 2.730 254 S HA 0.325 4.798 4.470 0.005 0.000 0.244 254 S C 0.655 175.233 174.600 -0.036 0.000 1.022 254 S CA -0.438 57.700 58.200 -0.104 0.000 1.014 254 S CB 0.134 63.269 63.200 -0.107 0.000 0.963 254 S HN 0.446 nan 8.310 nan 0.000 0.540 255 G N 1.391 110.162 108.800 -0.048 0.000 2.365 255 G HA2 0.367 4.331 3.960 0.005 0.000 0.249 255 G HA3 0.367 4.331 3.960 0.005 0.000 0.249 255 G C 0.148 175.031 174.900 -0.027 0.000 1.288 255 G CA 0.202 45.292 45.100 -0.017 0.000 0.887 255 G HN 0.330 nan 8.290 nan 0.000 0.524 256 D N 0.023 120.443 120.400 0.033 0.000 2.882 256 D HA -0.129 4.514 4.640 0.005 0.000 0.229 256 D C 1.023 177.397 176.300 0.124 0.000 1.167 256 D CA 1.623 55.712 54.000 0.147 0.000 0.759 256 D CB -1.091 39.827 40.800 0.197 0.000 1.088 256 D HN 0.779 nan 8.370 nan 0.000 0.425 257 G N -0.863 107.960 108.800 0.038 0.000 2.537 257 G HA2 0.570 4.533 3.960 0.005 0.000 0.273 257 G HA3 0.570 4.533 3.960 0.005 0.000 0.273 257 G C -0.207 174.684 174.900 -0.016 0.000 1.189 257 G CA 0.167 45.259 45.100 -0.014 0.000 0.881 257 G HN 0.695 nan 8.290 nan 0.000 0.535 258 S N -0.249 115.426 115.700 -0.042 0.000 2.570 258 S HA 0.384 4.857 4.470 0.005 0.000 0.286 258 S C 0.961 175.512 174.600 -0.081 0.000 1.099 258 S CA -0.739 57.443 58.200 -0.029 0.000 0.913 258 S CB 1.867 65.071 63.200 0.007 0.000 1.085 258 S HN 0.604 nan 8.310 nan 0.000 0.480 259 I N 1.706 122.244 120.570 -0.055 0.000 2.493 259 I HA -0.169 4.004 4.170 0.005 0.000 0.254 259 I C 2.319 178.398 176.117 -0.063 0.000 1.160 259 I CA 1.750 63.008 61.300 -0.070 0.000 1.445 259 I CB -0.200 37.795 38.000 -0.008 0.000 1.086 259 I HN 0.899 nan 8.210 nan 0.000 0.433 260 S N -0.009 115.668 115.700 -0.038 0.000 2.368 260 S HA -0.200 4.273 4.470 0.005 0.000 0.224 260 S C 1.790 176.352 174.600 -0.063 0.000 1.029 260 S CA 1.182 59.359 58.200 -0.037 0.000 0.988 260 S CB -0.575 62.615 63.200 -0.017 0.000 0.838 260 S HN 0.562 nan 8.310 nan 0.000 0.462 261 E N 1.139 121.305 120.200 -0.057 0.000 2.077 261 E HA -0.050 4.303 4.350 0.005 0.000 0.193 261 E C 2.068 178.656 176.600 -0.021 0.000 0.989 261 E CA 1.439 57.815 56.400 -0.041 0.000 0.800 261 E CB -0.378 29.318 29.700 -0.007 0.000 0.746 261 E HN 0.588 nan 8.360 nan 0.000 0.452 262 I N 1.276 121.783 120.570 -0.106 0.000 2.252 262 I HA -0.252 3.921 4.170 0.005 0.000 0.245 262 I C 2.158 178.281 176.117 0.011 0.000 1.102 262 I CA 1.217 62.432 61.300 -0.141 0.000 1.385 262 I CB -0.244 37.442 38.000 -0.523 0.000 1.064 262 I HN 0.084 nan 8.210 nan 0.000 0.414 263 E N 0.652 120.829 120.200 -0.038 0.000 2.204 263 E HA -0.150 4.203 4.350 0.005 0.000 0.194 263 E C 2.073 178.643 176.600 -0.050 0.000 0.989 263 E CA 0.950 57.342 56.400 -0.015 0.000 0.824 263 E CB -0.026 29.664 29.700 -0.016 0.000 0.756 263 E HN 0.516 nan 8.360 nan 0.000 0.477 264 L N 0.776 121.936 121.223 -0.106 0.000 2.591 264 L HA -0.008 4.335 4.340 0.005 0.000 0.228 264 L C 1.991 178.753 176.870 -0.179 0.000 1.133 264 L CA 0.342 55.035 54.840 -0.245 0.000 0.880 264 L CB -0.155 41.636 42.059 -0.446 0.000 1.033 264 L HN 0.134 nan 8.230 nan 0.000 0.450 265 T N 0.542 115.086 114.554 -0.016 0.000 2.746 265 T HA -0.073 4.280 4.350 0.005 0.000 0.267 265 T C -0.512 174.149 174.700 -0.064 0.000 1.039 265 T CA 1.122 63.244 62.100 0.037 0.000 1.142 265 T CB -1.041 67.979 68.868 0.253 0.000 0.866 265 T HN 0.293 nan 8.240 nan 0.000 0.444 266 P HA -0.075 nan 4.420 nan 0.000 0.221 266 P C 1.111 178.286 177.300 -0.208 0.000 1.145 266 P CA 1.018 63.899 63.100 -0.365 0.000 0.795 266 P CB -0.027 31.118 31.700 -0.924 0.000 0.775 267 K N 0.322 120.667 120.400 -0.093 0.000 2.283 267 K HA 0.002 4.326 4.320 0.005 0.000 0.202 267 K C 1.315 177.985 176.600 0.117 0.000 1.048 267 K CA 0.386 56.713 56.287 0.066 0.000 0.948 267 K CB -0.985 31.642 32.500 0.211 0.000 0.742 267 K HN 0.238 nan 8.250 nan 0.000 0.458 268 V N 0.640 120.596 119.914 0.070 0.000 2.843 268 V HA 0.053 4.176 4.120 0.005 0.000 0.305 268 V C 1.230 177.372 176.094 0.080 0.000 1.065 268 V CA -0.361 61.997 62.300 0.097 0.000 1.116 268 V CB 0.935 32.796 31.823 0.064 0.000 0.968 268 V HN -0.025 nan 8.190 nan 0.000 0.487 269 K N 2.671 123.140 120.400 0.114 0.000 2.057 269 K HA 0.159 4.482 4.320 0.005 0.000 0.206 269 K C 0.276 176.915 176.600 0.066 0.000 1.050 269 K CA 1.165 57.508 56.287 0.092 0.000 0.935 269 K CB -0.463 32.119 32.500 0.136 0.000 0.715 269 K HN 0.709 nan 8.250 nan 0.000 0.439 270 L N 0.165 121.458 121.223 0.115 0.000 2.409 270 L HA 0.348 4.691 4.340 0.005 0.000 0.262 270 L C -1.622 175.286 176.870 0.063 0.000 0.992 270 L CA -0.505 54.381 54.840 0.076 0.000 0.817 270 L CB 2.154 44.270 42.059 0.095 0.000 1.350 270 L HN -0.018 nan 8.230 nan 0.000 0.411 271 N N 3.624 122.355 118.700 0.051 0.000 2.417 271 N HA 0.605 5.348 4.740 0.005 0.000 0.274 271 N C -1.453 174.091 175.510 0.056 0.000 0.987 271 N CA -0.581 52.473 53.050 0.008 0.000 0.912 271 N CB 1.387 39.861 38.487 -0.021 0.000 1.177 271 N HN 0.484 nan 8.380 nan 0.000 0.490 272 L N 2.796 124.017 121.223 -0.003 0.000 2.264 272 L HA 0.448 4.791 4.340 0.005 0.000 0.289 272 L C -0.508 176.470 176.870 0.181 0.000 1.044 272 L CA -0.839 54.007 54.840 0.010 0.000 0.807 272 L CB 1.188 43.041 42.059 -0.344 0.000 1.192 272 L HN 0.205 nan 8.230 nan 0.000 0.425 273 V N 3.484 123.581 119.914 0.305 0.000 2.311 273 V HA 0.118 4.241 4.120 0.005 0.000 0.275 273 V C 0.909 177.078 176.094 0.125 0.000 1.022 273 V CA -0.356 62.060 62.300 0.194 0.000 0.830 273 V CB 0.982 32.888 31.823 0.138 0.000 1.012 273 V HN 0.745 nan 8.190 nan 0.000 0.452 274 H N 3.005 122.021 119.070 -0.090 0.000 2.343 274 H HA 0.016 4.575 4.556 0.005 0.000 0.303 274 H C 0.997 176.180 175.328 -0.241 0.000 1.068 274 H CA 1.379 57.155 56.048 -0.454 0.000 1.359 274 H CB 0.639 30.087 29.762 -0.523 0.000 1.402 274 H HN 0.593 nan 8.280 nan 0.000 0.515 275 C N 1.886 121.174 119.300 -0.019 0.000 2.239 275 C HA 0.134 4.597 4.460 0.005 0.000 0.323 275 C C 1.476 176.407 174.990 -0.098 0.000 1.205 275 C CA -0.896 58.099 59.018 -0.039 0.000 1.584 275 C CB -1.609 26.178 27.740 0.078 0.000 2.201 275 C HN 0.555 nan 8.230 nan 0.000 0.475 276 Y N 4.498 124.667 120.300 -0.219 0.000 2.200 276 Y HA -0.057 4.496 4.550 0.005 0.000 0.290 276 Y C 2.420 178.131 175.900 -0.316 0.000 1.137 276 Y CA 2.287 60.238 58.100 -0.249 0.000 1.163 276 Y CB -0.223 38.127 38.460 -0.184 0.000 0.988 276 Y HN 0.752 nan 8.280 nan 0.000 0.518 277 R N 0.747 121.078 120.500 -0.281 0.000 2.073 277 R HA -0.153 4.190 4.340 0.005 0.000 0.234 277 R C 2.577 178.657 176.300 -0.368 0.000 1.134 277 R CA 2.166 58.053 56.100 -0.354 0.000 0.952 277 R CB -0.994 29.265 30.300 -0.069 0.000 0.850 277 R HN 0.479 nan 8.270 nan 0.000 0.433 278 S N -0.739 114.769 115.700 -0.320 0.000 2.368 278 S HA -0.087 4.386 4.470 0.005 0.000 0.224 278 S C 1.674 176.156 174.600 -0.196 0.000 1.029 278 S CA 1.385 59.328 58.200 -0.428 0.000 0.988 278 S CB -0.053 62.825 63.200 -0.536 0.000 0.838 278 S HN 0.410 nan 8.310 nan 0.000 0.462 279 M N 1.695 121.128 119.600 -0.280 0.000 2.502 279 M HA 0.283 4.766 4.480 0.005 0.000 0.351 279 M C 1.077 177.070 176.300 -0.510 0.000 1.118 279 M CA 0.036 55.184 55.300 -0.253 0.000 0.952 279 M CB 0.236 32.766 32.600 -0.117 0.000 1.424 279 M HN 0.582 nan 8.290 nan 0.000 0.529 280 N N 0.367 118.541 118.700 -0.876 0.000 2.244 280 N HA -0.190 4.553 4.740 0.005 0.000 0.183 280 N C 1.174 176.166 175.510 -0.863 0.000 1.016 280 N CA 1.626 54.005 53.050 -1.118 0.000 0.866 280 N CB -0.347 37.181 38.487 -1.598 0.000 0.980 280 N HN 0.256 nan 8.380 nan 0.000 0.430 281 Y N 0.139 120.152 120.300 -0.479 0.000 2.145 281 Y HA -0.060 4.493 4.550 0.005 0.000 0.286 281 Y C 2.215 177.988 175.900 -0.212 0.000 1.145 281 Y CA 0.680 58.564 58.100 -0.360 0.000 1.148 281 Y CB -0.711 37.473 38.460 -0.461 0.000 0.981 281 Y HN 0.135 nan 8.280 nan 0.000 0.507 282 I N -0.388 120.161 120.570 -0.035 0.000 2.394 282 I HA -0.232 3.941 4.170 0.005 0.000 0.251 282 I C 2.147 178.202 176.117 -0.103 0.000 1.136 282 I CA 1.221 62.528 61.300 0.012 0.000 1.425 282 I CB -0.493 37.563 38.000 0.093 0.000 1.079 282 I HN 0.057 nan 8.210 nan 0.000 0.425 283 S N 0.465 115.945 115.700 -0.367 0.000 2.368 283 S HA -0.136 4.337 4.470 0.005 0.000 0.224 283 S C 2.066 176.448 174.600 -0.364 0.000 1.029 283 S CA 1.127 59.014 58.200 -0.521 0.000 0.988 283 S CB -0.351 62.203 63.200 -1.077 0.000 0.838 283 S HN 0.451 nan 8.310 nan 0.000 0.462 284 R N 0.241 120.532 120.500 -0.348 0.000 2.081 284 R HA -0.113 4.230 4.340 0.005 0.000 0.235 284 R C 2.369 178.720 176.300 0.084 0.000 1.131 284 R CA 1.631 57.738 56.100 0.012 0.000 0.960 284 R CB -0.522 29.790 30.300 0.021 0.000 0.856 284 R HN 0.540 nan 8.270 nan 0.000 0.436 285 H N 0.748 119.818 119.070 -0.000 0.000 2.353 285 H HA -0.045 4.514 4.556 0.005 0.000 0.300 285 H C 2.022 177.385 175.328 0.058 0.000 1.090 285 H CA 1.934 58.004 56.048 0.036 0.000 1.327 285 H CB -0.033 29.761 29.762 0.055 0.000 1.383 285 H HN 0.046 nan 8.280 nan 0.000 0.508 286 M N -0.173 119.429 119.600 0.004 0.000 2.175 286 M HA -0.125 4.358 4.480 0.005 0.000 0.264 286 M C 2.402 178.735 176.300 0.054 0.000 1.063 286 M CA 1.880 57.229 55.300 0.080 0.000 1.119 286 M CB -0.166 32.526 32.600 0.154 0.000 1.377 286 M HN 0.486 nan 8.290 nan 0.000 0.415 287 E N 0.743 120.996 120.200 0.088 0.000 2.072 287 E HA -0.196 4.157 4.350 0.005 0.000 0.191 287 E C 1.689 178.292 176.600 0.006 0.000 0.985 287 E CA 1.265 57.730 56.400 0.108 0.000 0.801 287 E CB 0.151 29.983 29.700 0.220 0.000 0.750 287 E HN 0.520 nan 8.360 nan 0.000 0.452 288 E N 0.450 120.621 120.200 -0.049 0.000 2.028 288 E HA -0.204 4.149 4.350 0.005 0.000 0.191 288 E C 2.137 178.609 176.600 -0.214 0.000 0.988 288 E CA 1.149 57.491 56.400 -0.097 0.000 0.799 288 E CB -0.054 29.602 29.700 -0.073 0.000 0.755 288 E HN 0.096 nan 8.360 nan 0.000 0.447 289 K N 0.242 120.379 120.400 -0.439 0.000 2.001 289 K HA -0.140 4.183 4.320 0.005 0.000 0.208 289 K C 1.456 177.703 176.600 -0.589 0.000 1.048 289 K CA 1.357 57.264 56.287 -0.632 0.000 0.932 289 K CB -0.005 31.842 32.500 -1.088 0.000 0.715 289 K HN 0.103 nan 8.250 nan 0.000 0.437 290 Y N -0.912 119.331 120.300 -0.095 0.000 2.449 290 Y HA 0.305 4.858 4.550 0.005 0.000 0.254 290 Y C 1.314 177.200 175.900 -0.023 0.000 1.140 290 Y CA 0.127 58.204 58.100 -0.037 0.000 1.272 290 Y CB 0.828 39.278 38.460 -0.016 0.000 1.114 290 Y HN 0.350 nan 8.280 nan 0.000 0.525 291 G N 1.027 109.869 108.800 0.070 0.000 2.162 291 G HA2 -0.321 3.642 3.960 0.005 0.000 0.260 291 G HA3 -0.321 3.642 3.960 0.005 0.000 0.260 291 G C 0.065 175.003 174.900 0.062 0.000 0.976 291 G CA 0.181 45.310 45.100 0.048 0.000 0.655 291 G HN 0.333 nan 8.290 nan 0.000 0.533 292 I N 3.197 123.829 120.570 0.102 0.000 2.396 292 I HA 0.284 4.457 4.170 0.005 0.000 0.289 292 I C -1.269 174.903 176.117 0.092 0.000 1.056 292 I CA -2.151 59.196 61.300 0.079 0.000 1.365 292 I CB 0.990 39.039 38.000 0.082 0.000 1.407 292 I HN -0.050 nan 8.210 nan 0.000 0.509 293 P HA 0.052 nan 4.420 nan 0.000 0.275 293 P C -1.374 175.964 177.300 0.064 0.000 1.228 293 P CA -0.200 62.892 63.100 -0.013 0.000 0.786 293 P CB 0.614 32.257 31.700 -0.095 0.000 0.927 294 W N 4.109 125.385 121.300 -0.040 0.000 2.739 294 W HA 0.607 5.270 4.660 0.005 0.000 0.331 294 W C -1.366 175.142 176.519 -0.018 0.000 1.049 294 W CA -1.437 55.884 57.345 -0.040 0.000 1.234 294 W CB 0.924 30.354 29.460 -0.051 0.000 1.404 294 W HN 0.278 nan 8.180 nan 0.000 0.477 295 M N 1.510 121.206 119.600 0.161 0.000 2.326 295 M HA 0.519 5.002 4.480 0.005 0.000 0.306 295 M C -0.844 175.602 176.300 0.245 0.000 1.054 295 M CA -0.612 54.733 55.300 0.075 0.000 0.922 295 M CB 2.851 35.446 32.600 -0.010 0.000 1.632 295 M HN 0.414 nan 8.290 nan 0.000 0.436 296 E N 3.207 123.549 120.200 0.237 0.000 2.360 296 E HA 0.347 4.700 4.350 0.005 0.000 0.269 296 E C -1.502 175.205 176.600 0.178 0.000 1.022 296 E CA -0.184 56.350 56.400 0.224 0.000 0.887 296 E CB 0.500 30.299 29.700 0.166 0.000 0.990 296 E HN 0.659 nan 8.360 nan 0.000 0.426 297 Y N 0.356 120.618 120.300 -0.063 0.000 2.581 297 Y HA 0.566 5.119 4.550 0.005 0.000 0.345 297 Y C -1.207 174.551 175.900 -0.237 0.000 1.036 297 Y CA -1.574 56.452 58.100 -0.123 0.000 1.042 297 Y CB 1.497 39.866 38.460 -0.152 0.000 1.289 297 Y HN 0.306 nan 8.280 nan 0.000 0.471 298 N N 2.112 120.661 118.700 -0.253 0.000 2.399 298 N HA 0.306 5.049 4.740 0.005 0.000 0.284 298 N C -1.520 174.002 175.510 0.021 0.000 1.025 298 N CA -0.722 52.068 53.050 -0.434 0.000 0.885 298 N CB 0.806 38.937 38.487 -0.594 0.000 1.339 298 N HN 0.698 nan 8.380 nan 0.000 0.487 299 F N 1.961 121.724 119.950 -0.312 0.000 2.639 299 F HA 0.411 4.940 4.527 0.005 0.000 0.302 299 F C -0.129 175.375 175.800 -0.494 0.000 1.097 299 F CA -0.740 57.035 58.000 -0.375 0.000 1.294 299 F CB -0.321 38.471 39.000 -0.347 0.000 1.027 299 F HN 0.334 nan 8.300 nan 0.000 0.550 300 F N 0.900 120.744 119.950 -0.177 0.000 2.421 300 F HA 0.524 5.054 4.527 0.004 0.000 0.358 300 F C 0.971 176.548 175.800 -0.372 0.000 1.115 300 F CA -0.403 57.441 58.000 -0.260 0.000 1.160 300 F CB 0.353 39.208 39.000 -0.242 0.000 1.123 300 F HN 0.141 nan 8.300 nan 0.000 0.508 301 G N 5.108 113.764 108.800 -0.240 0.000 2.716 301 G HA2 -0.146 3.817 3.960 0.005 0.000 0.686 301 G HA3 -0.146 3.817 3.960 0.005 0.000 0.686 301 G C -2.068 172.390 174.900 -0.737 0.000 1.337 301 G CA -0.811 43.985 45.100 -0.506 0.000 0.829 301 G HN 0.437 nan 8.290 nan 0.000 0.599 302 P HA -0.117 nan 4.420 nan 0.000 0.218 302 P C 1.729 178.575 177.300 -0.757 0.000 1.149 302 P CA 2.178 64.651 63.100 -1.044 0.000 0.817 302 P CB -0.003 30.584 31.700 -1.856 0.000 0.785 303 T N 0.337 114.515 114.554 -0.626 0.000 2.777 303 T HA -0.069 4.284 4.350 0.005 0.000 0.266 303 T C 1.852 176.382 174.700 -0.283 0.000 1.040 303 T CA 1.218 63.087 62.100 -0.385 0.000 1.141 303 T CB -0.292 68.405 68.868 -0.285 0.000 0.868 303 T HN 0.118 nan 8.240 nan 0.000 0.444 304 K N 1.073 121.301 120.400 -0.288 0.000 2.097 304 K HA -0.001 4.322 4.320 0.005 0.000 0.205 304 K C 2.515 179.000 176.600 -0.192 0.000 1.050 304 K CA 1.204 57.365 56.287 -0.210 0.000 0.938 304 K CB -0.931 31.444 32.500 -0.208 0.000 0.718 304 K HN 0.394 nan 8.250 nan 0.000 0.442 305 T N 1.933 116.270 114.554 -0.362 0.000 2.746 305 T HA -0.049 4.304 4.350 0.005 0.000 0.267 305 T C 2.156 176.644 174.700 -0.353 0.000 1.039 305 T CA 1.036 62.799 62.100 -0.563 0.000 1.142 305 T CB -0.201 67.956 68.868 -1.186 0.000 0.866 305 T HN 0.098 nan 8.240 nan 0.000 0.444 306 I N 1.089 121.516 120.570 -0.239 0.000 2.252 306 I HA -0.148 4.025 4.170 0.005 0.000 0.245 306 I C 2.846 178.942 176.117 -0.036 0.000 1.102 306 I CA 1.405 62.670 61.300 -0.059 0.000 1.385 306 I CB -0.342 37.642 38.000 -0.027 0.000 1.064 306 I HN 0.338 nan 8.210 nan 0.000 0.414 307 E N 0.752 120.914 120.200 -0.063 0.000 2.077 307 E HA -0.199 4.154 4.350 0.005 0.000 0.193 307 E C 2.226 178.836 176.600 0.017 0.000 0.989 307 E CA 1.595 57.978 56.400 -0.028 0.000 0.800 307 E CB 0.095 29.763 29.700 -0.054 0.000 0.746 307 E HN 0.330 nan 8.360 nan 0.000 0.452 308 S N 0.561 116.291 115.700 0.050 0.000 2.368 308 S HA -0.073 4.400 4.470 0.005 0.000 0.224 308 S C 1.947 176.656 174.600 0.180 0.000 1.029 308 S CA 0.812 59.116 58.200 0.173 0.000 0.988 308 S CB -0.181 63.264 63.200 0.408 0.000 0.838 308 S HN 0.260 nan 8.310 nan 0.000 0.462 309 L N 0.598 121.903 121.223 0.136 0.000 2.046 309 L HA -0.120 4.223 4.340 0.005 0.000 0.208 309 L C 2.709 179.630 176.870 0.085 0.000 1.077 309 L CA 1.213 56.119 54.840 0.111 0.000 0.747 309 L CB -0.321 41.770 42.059 0.053 0.000 0.896 309 L HN 0.159 nan 8.230 nan 0.000 0.432 310 R N -0.101 120.438 120.500 0.065 0.000 2.081 310 R HA -0.136 4.207 4.340 0.005 0.000 0.235 310 R C 2.312 178.647 176.300 0.057 0.000 1.131 310 R CA 1.638 57.771 56.100 0.054 0.000 0.960 310 R CB -0.597 29.725 30.300 0.037 0.000 0.856 310 R HN 0.383 nan 8.270 nan 0.000 0.436 311 A N 0.161 123.014 122.820 0.055 0.000 1.898 311 A HA -0.092 4.231 4.320 0.005 0.000 0.216 311 A C 2.177 179.801 177.584 0.066 0.000 1.181 311 A CA 1.357 53.422 52.037 0.046 0.000 0.620 311 A CB -0.523 18.499 19.000 0.037 0.000 0.819 311 A HN 0.282 nan 8.150 nan 0.000 0.442 312 I N -0.226 120.398 120.570 0.089 0.000 2.226 312 I HA -0.257 3.916 4.170 0.005 0.000 0.245 312 I C 2.928 179.189 176.117 0.239 0.000 1.100 312 I CA 1.059 62.438 61.300 0.132 0.000 1.374 312 I CB -0.375 37.673 38.000 0.080 0.000 1.057 312 I HN 0.353 nan 8.210 nan 0.000 0.413 313 A N 0.790 123.713 122.820 0.172 0.000 1.972 313 A HA -0.107 4.216 4.320 0.005 0.000 0.219 313 A C 2.535 180.237 177.584 0.197 0.000 1.169 313 A CA 1.673 53.824 52.037 0.189 0.000 0.635 313 A CB -0.641 18.417 19.000 0.097 0.000 0.810 313 A HN 0.435 nan 8.150 nan 0.000 0.446 314 A N 0.039 122.930 122.820 0.119 0.000 1.898 314 A HA -0.123 4.200 4.320 0.005 0.000 0.216 314 A C 1.957 179.567 177.584 0.043 0.000 1.181 314 A CA 1.522 53.600 52.037 0.069 0.000 0.620 314 A CB -0.353 18.666 19.000 0.031 0.000 0.819 314 A HN 0.376 nan 8.150 nan 0.000 0.442 315 K N -1.152 119.257 120.400 0.015 0.000 2.442 315 K HA -0.023 4.300 4.320 0.005 0.000 0.198 315 K C -0.369 176.022 176.600 -0.348 0.000 1.044 315 K CA 0.537 56.726 56.287 -0.164 0.000 0.948 315 K CB -0.310 32.060 32.500 -0.216 0.000 0.762 315 K HN 0.524 nan 8.250 nan 0.000 0.472 316 F N 0.625 120.600 119.950 0.042 0.000 2.597 316 F HA 0.108 4.638 4.527 0.005 0.000 0.361 316 F C 0.802 176.651 175.800 0.082 0.000 1.090 316 F CA -1.552 56.500 58.000 0.087 0.000 1.060 316 F CB 0.522 39.606 39.000 0.141 0.000 1.358 316 F HN -0.057 nan 8.300 nan 0.000 0.499 317 D N -0.699 119.906 120.400 0.343 0.000 2.398 317 D HA 0.088 4.731 4.640 0.005 0.000 0.247 317 D C 0.516 176.909 176.300 0.155 0.000 1.227 317 D CA -0.254 53.870 54.000 0.206 0.000 0.980 317 D CB 0.374 41.303 40.800 0.216 0.000 1.106 317 D HN 0.636 nan 8.370 nan 0.000 0.493 318 E N -0.549 119.711 120.200 0.101 0.000 2.219 318 E HA -0.246 4.107 4.350 0.005 0.000 0.198 318 E C 1.932 178.562 176.600 0.049 0.000 0.998 318 E CA 1.508 57.947 56.400 0.066 0.000 0.818 318 E CB -0.177 29.552 29.700 0.048 0.000 0.741 318 E HN 0.594 nan 8.360 nan 0.000 0.477 319 S N 0.771 116.504 115.700 0.056 0.000 2.368 319 S HA -0.120 4.353 4.470 0.005 0.000 0.224 319 S C 2.009 176.586 174.600 -0.038 0.000 1.029 319 S CA 0.618 58.824 58.200 0.010 0.000 0.988 319 S CB -0.157 63.052 63.200 0.014 0.000 0.838 319 S HN 0.087 nan 8.310 nan 0.000 0.462 320 I N 2.294 122.840 120.570 -0.040 0.000 2.252 320 I HA -0.109 4.064 4.170 0.005 0.000 0.245 320 I C 2.839 178.946 176.117 -0.018 0.000 1.102 320 I CA 1.293 62.538 61.300 -0.092 0.000 1.385 320 I CB -1.676 36.283 38.000 -0.068 0.000 1.064 320 I HN 0.443 nan 8.210 nan 0.000 0.414 321 Q N 0.459 120.280 119.800 0.034 0.000 2.124 321 Q HA -0.229 4.114 4.340 0.005 0.000 0.202 321 Q C 2.301 178.313 176.000 0.020 0.000 0.977 321 Q CA 1.558 57.385 55.803 0.041 0.000 0.850 321 Q CB -0.100 28.669 28.738 0.052 0.000 0.901 321 Q HN 0.424 nan 8.270 nan 0.000 0.429 322 K N 1.057 121.462 120.400 0.009 0.000 2.057 322 K HA -0.147 4.176 4.320 0.005 0.000 0.206 322 K C 1.801 178.396 176.600 -0.009 0.000 1.050 322 K CA 1.076 57.364 56.287 0.001 0.000 0.935 322 K CB 0.131 32.630 32.500 -0.002 0.000 0.715 322 K HN 0.004 nan 8.250 nan 0.000 0.439 323 K N 0.460 120.845 120.400 -0.025 0.000 2.097 323 K HA -0.163 4.160 4.320 0.005 0.000 0.206 323 K C 2.358 178.952 176.600 -0.009 0.000 1.049 323 K CA 1.300 57.567 56.287 -0.033 0.000 0.933 323 K CB -0.417 32.040 32.500 -0.072 0.000 0.717 323 K HN 0.313 nan 8.250 nan 0.000 0.442 324 C N 2.007 121.308 119.300 0.002 0.000 2.413 324 C HA -0.093 4.370 4.460 0.005 0.000 0.276 324 C C 2.415 177.431 174.990 0.044 0.000 1.248 324 C CA 1.008 60.045 59.018 0.032 0.000 1.742 324 C CB -0.566 27.197 27.740 0.037 0.000 2.017 324 C HN 0.378 nan 8.230 nan 0.000 0.481 325 E N 0.785 121.001 120.200 0.027 0.000 2.150 325 E HA -0.123 4.230 4.350 0.005 0.000 0.193 325 E C 2.116 178.722 176.600 0.011 0.000 0.985 325 E CA 1.213 57.628 56.400 0.025 0.000 0.814 325 E CB -0.479 29.230 29.700 0.015 0.000 0.752 325 E HN 0.767 nan 8.360 nan 0.000 0.466 326 E N 0.342 120.541 120.200 -0.002 0.000 2.072 326 E HA -0.097 4.256 4.350 0.005 0.000 0.191 326 E C 2.237 178.817 176.600 -0.032 0.000 0.985 326 E CA 0.976 57.362 56.400 -0.024 0.000 0.801 326 E CB -0.016 29.666 29.700 -0.030 0.000 0.750 326 E HN 0.031 nan 8.360 nan 0.000 0.452 327 V N 1.807 121.727 119.914 0.011 0.000 2.358 327 V HA -0.230 3.893 4.120 0.005 0.000 0.246 327 V C 2.268 178.407 176.094 0.075 0.000 1.047 327 V CA 1.466 63.803 62.300 0.061 0.000 1.035 327 V CB -0.366 31.553 31.823 0.161 0.000 0.658 327 V HN 0.254 nan 8.190 nan 0.000 0.452 328 I N 0.365 120.986 120.570 0.086 0.000 2.394 328 I HA -0.194 3.980 4.170 0.005 0.000 0.251 328 I C 2.598 178.720 176.117 0.008 0.000 1.136 328 I CA 1.259 62.612 61.300 0.088 0.000 1.425 328 I CB -0.558 37.514 38.000 0.121 0.000 1.079 328 I HN 0.287 nan 8.210 nan 0.000 0.425 329 A N 0.791 123.596 122.820 -0.024 0.000 1.898 329 A HA -0.219 4.104 4.320 0.005 0.000 0.216 329 A C 2.439 179.939 177.584 -0.140 0.000 1.181 329 A CA 1.496 53.492 52.037 -0.067 0.000 0.620 329 A CB -0.448 18.516 19.000 -0.060 0.000 0.819 329 A HN 0.276 nan 8.150 nan 0.000 0.442 330 K N -1.511 118.773 120.400 -0.194 0.000 2.057 330 K HA -0.166 4.157 4.320 0.005 0.000 0.207 330 K C 1.194 177.512 176.600 -0.469 0.000 1.049 330 K CA 1.665 57.743 56.287 -0.347 0.000 0.931 330 K CB -0.244 31.977 32.500 -0.465 0.000 0.714 330 K HN 0.553 nan 8.250 nan 0.000 0.440 331 Y N 0.616 120.769 120.300 -0.245 0.000 2.466 331 Y HA 0.120 4.673 4.550 0.005 0.000 0.272 331 Y C 1.969 177.667 175.900 -0.337 0.000 1.169 331 Y CA 0.184 58.071 58.100 -0.355 0.000 1.285 331 Y CB 0.235 38.218 38.460 -0.796 0.000 1.078 331 Y HN 0.029 nan 8.280 nan 0.000 0.523 332 K N 1.195 121.464 120.400 -0.219 0.000 2.057 332 K HA -0.091 4.232 4.320 0.005 0.000 0.206 332 K C -0.800 175.378 176.600 -0.704 0.000 1.050 332 K CA 1.193 57.200 56.287 -0.465 0.000 0.935 332 K CB -0.805 31.543 32.500 -0.254 0.000 0.715 332 K HN 0.165 nan 8.250 nan 0.000 0.439 333 P HA -0.142 nan 4.420 nan 0.000 0.219 333 P C 0.416 177.573 177.300 -0.238 0.000 1.150 333 P CA 1.342 64.254 63.100 -0.315 0.000 0.814 333 P CB 0.055 31.635 31.700 -0.200 0.000 0.787 334 E N 0.174 120.292 120.200 -0.137 0.000 2.047 334 E HA -0.139 4.214 4.350 0.005 0.000 0.191 334 E C 2.331 179.010 176.600 0.132 0.000 0.987 334 E CA 1.167 57.588 56.400 0.035 0.000 0.799 334 E CB -0.787 29.017 29.700 0.173 0.000 0.752 334 E HN 0.533 nan 8.360 nan 0.000 0.449 335 W N 1.918 123.268 121.300 0.084 0.000 2.388 335 W HA -0.059 4.603 4.660 0.004 0.000 0.294 335 W C 1.207 177.827 176.519 0.168 0.000 1.212 335 W CA 0.688 58.134 57.345 0.168 0.000 1.271 335 W CB -0.487 29.041 29.460 0.113 0.000 1.126 335 W HN -0.026 nan 8.180 nan 0.000 0.535 336 E N 1.164 121.095 120.200 -0.449 0.000 2.204 336 E HA -0.101 4.252 4.350 0.005 0.000 0.194 336 E C 2.607 179.170 176.600 -0.062 0.000 0.989 336 E CA 1.198 57.359 56.400 -0.399 0.000 0.824 336 E CB -0.219 29.040 29.700 -0.735 0.000 0.756 336 E HN 0.336 nan 8.360 nan 0.000 0.477 337 A N 0.941 123.739 122.820 -0.037 0.000 1.898 337 A HA -0.112 4.211 4.320 0.005 0.000 0.216 337 A C 2.469 180.113 177.584 0.101 0.000 1.181 337 A CA 0.903 52.948 52.037 0.012 0.000 0.620 337 A CB -0.500 18.505 19.000 0.008 0.000 0.819 337 A HN 0.105 nan 8.150 nan 0.000 0.442 338 V N -0.238 119.814 119.914 0.231 0.000 2.358 338 V HA -0.211 3.912 4.120 0.005 0.000 0.246 338 V C 2.602 178.928 176.094 0.387 0.000 1.047 338 V CA 1.974 64.487 62.300 0.355 0.000 1.035 338 V CB -0.580 31.520 31.823 0.461 0.000 0.658 338 V HN 0.385 nan 8.190 nan 0.000 0.452 339 V N 0.372 120.543 119.914 0.427 0.000 2.343 339 V HA -0.243 3.880 4.120 0.005 0.000 0.247 339 V C 2.696 178.913 176.094 0.205 0.000 1.051 339 V CA 1.959 64.490 62.300 0.386 0.000 1.036 339 V CB -1.254 30.817 31.823 0.414 0.000 0.654 339 V HN 0.550 nan 8.190 nan 0.000 0.451 340 A N -0.027 122.863 122.820 0.117 0.000 1.877 340 A HA -0.273 4.050 4.320 0.005 0.000 0.216 340 A C 2.378 179.952 177.584 -0.016 0.000 1.186 340 A CA 2.286 54.346 52.037 0.038 0.000 0.620 340 A CB -0.489 18.510 19.000 -0.003 0.000 0.822 340 A HN 0.532 nan 8.150 nan 0.000 0.443 341 K N -1.856 118.496 120.400 -0.080 0.000 2.057 341 K HA -0.142 4.181 4.320 0.005 0.000 0.206 341 K C 1.521 177.885 176.600 -0.392 0.000 1.050 341 K CA 1.673 57.783 56.287 -0.295 0.000 0.935 341 K CB -0.238 31.968 32.500 -0.491 0.000 0.715 341 K HN 0.550 nan 8.250 nan 0.000 0.439 342 Y N -0.055 120.262 120.300 0.028 0.000 2.478 342 Y HA 0.181 4.734 4.550 0.005 0.000 0.261 342 Y C 2.220 178.137 175.900 0.027 0.000 1.127 342 Y CA 0.055 58.160 58.100 0.007 0.000 1.288 342 Y CB 0.080 38.514 38.460 -0.043 0.000 1.084 342 Y HN 0.019 nan 8.280 nan 0.000 0.530 343 R N 1.154 121.760 120.500 0.178 0.000 2.075 343 R HA -0.081 4.262 4.340 0.005 0.000 0.232 343 R C -0.838 175.518 176.300 0.094 0.000 1.126 343 R CA 1.270 57.457 56.100 0.145 0.000 0.963 343 R CB -1.188 29.201 30.300 0.148 0.000 0.858 343 R HN 0.187 nan 8.270 nan 0.000 0.435 344 P HA -0.152 nan 4.420 nan 0.000 0.218 344 P C 0.730 178.057 177.300 0.044 0.000 1.148 344 P CA 1.369 64.494 63.100 0.041 0.000 0.822 344 P CB -0.184 31.527 31.700 0.018 0.000 0.784 345 R N -0.446 120.089 120.500 0.057 0.000 2.075 345 R HA 0.035 4.378 4.340 0.005 0.000 0.232 345 R C 2.206 178.545 176.300 0.065 0.000 1.126 345 R CA 1.089 57.229 56.100 0.067 0.000 0.963 345 R CB -0.580 29.781 30.300 0.102 0.000 0.858 345 R HN 0.254 nan 8.270 nan 0.000 0.435 346 L N 0.329 121.597 121.223 0.075 0.000 2.607 346 L HA 0.159 4.502 4.340 0.005 0.000 0.228 346 L C 0.363 177.266 176.870 0.054 0.000 1.123 346 L CA -0.258 54.615 54.840 0.055 0.000 0.890 346 L CB 0.133 42.222 42.059 0.050 0.000 1.103 346 L HN 0.067 nan 8.230 nan 0.000 0.468 347 E N 0.722 120.955 120.200 0.056 0.000 2.465 347 E HA 0.183 4.536 4.350 0.005 0.000 0.260 347 E C 1.263 177.881 176.600 0.030 0.000 0.980 347 E CA 1.001 57.430 56.400 0.049 0.000 0.927 347 E CB 0.386 30.114 29.700 0.046 0.000 0.934 347 E HN 0.288 nan 8.360 nan 0.000 0.459 348 G N 3.781 112.598 108.800 0.027 0.000 2.184 348 G HA2 -0.272 3.691 3.960 0.005 0.000 0.264 348 G HA3 -0.272 3.691 3.960 0.005 0.000 0.264 348 G C -0.168 174.729 174.900 -0.005 0.000 0.975 348 G CA 0.188 45.294 45.100 0.010 0.000 0.642 348 G HN 0.421 nan 8.290 nan 0.000 0.536 349 K N 1.028 121.426 120.400 -0.004 0.000 2.297 349 K HA 0.339 4.662 4.320 0.005 0.000 0.286 349 K C 0.822 177.391 176.600 -0.053 0.000 1.053 349 K CA -0.362 55.907 56.287 -0.030 0.000 0.940 349 K CB 0.859 33.343 32.500 -0.025 0.000 1.019 349 K HN 0.429 nan 8.250 nan 0.000 0.475 350 R N 1.149 121.602 120.500 -0.078 0.000 2.389 350 R HA 0.290 4.633 4.340 0.005 0.000 0.295 350 R C -0.107 176.096 176.300 -0.162 0.000 1.075 350 R CA -0.439 55.598 56.100 -0.106 0.000 1.005 350 R CB 0.651 30.894 30.300 -0.094 0.000 0.987 350 R HN 0.198 nan 8.270 nan 0.000 0.452 351 V N 4.525 124.313 119.914 -0.210 0.000 2.604 351 V HA 0.419 4.542 4.120 0.005 0.000 0.305 351 V C -0.108 175.833 176.094 -0.255 0.000 1.043 351 V CA -0.744 61.372 62.300 -0.307 0.000 0.888 351 V CB 2.008 33.497 31.823 -0.557 0.000 0.995 351 V HN 0.687 nan 8.190 nan 0.000 0.429 352 M N 5.614 125.078 119.600 -0.226 0.000 2.243 352 M HA 0.610 5.093 4.480 0.005 0.000 0.324 352 M C -1.382 174.881 176.300 -0.061 0.000 1.031 352 M CA -0.360 54.884 55.300 -0.093 0.000 0.949 352 M CB 1.885 34.437 32.600 -0.080 0.000 1.615 352 M HN 0.410 nan 8.290 nan 0.000 0.430 353 L N 3.341 124.585 121.223 0.035 0.000 2.386 353 L HA 0.566 4.909 4.340 0.005 0.000 0.271 353 L C -1.481 175.498 176.870 0.183 0.000 0.993 353 L CA -0.878 53.981 54.840 0.031 0.000 0.819 353 L CB 2.089 44.078 42.059 -0.116 0.000 1.294 353 L HN 0.525 nan 8.230 nan 0.000 0.414 354 Y N 4.287 124.592 120.300 0.008 0.000 2.354 354 Y HA 0.785 5.338 4.550 0.005 0.000 0.330 354 Y C -1.019 174.823 175.900 -0.096 0.000 1.011 354 Y CA -1.055 57.014 58.100 -0.050 0.000 1.099 354 Y CB 1.263 39.601 38.460 -0.204 0.000 1.179 354 Y HN 0.402 nan 8.280 nan 0.000 0.442 355 I N 2.660 122.847 120.570 -0.640 0.000 3.066 355 I HA 0.423 4.596 4.170 0.005 0.000 0.307 355 I C 0.780 176.513 176.117 -0.640 0.000 1.366 355 I CA -0.931 60.018 61.300 -0.585 0.000 0.972 355 I CB 2.046 39.732 38.000 -0.523 0.000 1.307 355 I HN 0.621 nan 8.210 nan 0.000 0.470 356 G N 0.877 109.391 108.800 -0.477 0.000 2.402 356 G HA2 0.174 4.137 3.960 0.005 0.000 0.216 356 G HA3 0.174 4.137 3.960 0.005 0.000 0.216 356 G C 0.970 175.226 174.900 -1.074 0.000 1.162 356 G CA 1.331 45.890 45.100 -0.902 0.000 0.777 356 G HN 0.907 nan 8.290 nan 0.000 0.539 357 G N -0.828 107.727 108.800 -0.408 0.000 2.371 357 G HA2 0.202 4.165 3.960 0.005 0.000 0.205 357 G HA3 0.202 4.165 3.960 0.005 0.000 0.205 357 G C 1.227 176.199 174.900 0.121 0.000 1.486 357 G CA 0.731 45.779 45.100 -0.087 0.000 0.553 357 G HN 0.300 nan 8.290 nan 0.000 1.124 358 L N 0.637 121.891 121.223 0.052 0.000 2.286 358 L HA 0.513 4.856 4.340 0.005 0.000 0.203 358 L C 2.467 179.311 176.870 -0.043 0.000 1.068 358 L CA 1.128 55.956 54.840 -0.021 0.000 0.811 358 L CB -0.331 41.694 42.059 -0.057 0.000 0.989 358 L HN 0.048 nan 8.230 nan 0.000 0.467 359 R N -0.032 120.441 120.500 -0.045 0.000 2.148 359 R HA -0.045 4.298 4.340 0.005 0.000 0.227 359 R C -0.577 175.605 176.300 -0.196 0.000 1.103 359 R CA 1.317 57.364 56.100 -0.088 0.000 0.983 359 R CB -1.408 28.849 30.300 -0.072 0.000 0.874 359 R HN 0.384 nan 8.270 nan 0.000 0.451 360 P HA -0.202 nan 4.420 nan 0.000 0.215 360 P C 0.849 177.961 177.300 -0.313 0.000 1.153 360 P CA 1.491 64.293 63.100 -0.496 0.000 0.853 360 P CB -0.012 31.041 31.700 -1.078 0.000 0.788 361 R N -1.924 118.460 120.500 -0.193 0.000 2.075 361 R HA -0.089 4.254 4.340 0.005 0.000 0.226 361 R C 1.975 178.298 176.300 0.038 0.000 1.114 361 R CA 1.299 57.387 56.100 -0.020 0.000 0.972 361 R CB -1.513 28.851 30.300 0.105 0.000 0.869 361 R HN 0.174 nan 8.270 nan 0.000 0.437 362 H N 1.164 120.162 119.070 -0.121 0.000 2.353 362 H HA -0.043 4.516 4.556 0.005 0.000 0.300 362 H C 1.958 177.118 175.328 -0.280 0.000 1.090 362 H CA 1.875 57.844 56.048 -0.132 0.000 1.327 362 H CB -0.038 29.706 29.762 -0.030 0.000 1.383 362 H HN 0.220 nan 8.280 nan 0.000 0.508 363 V N -1.049 118.656 119.914 -0.348 0.000 3.510 363 V HA -0.011 4.112 4.120 0.005 0.000 0.270 363 V C 1.953 178.001 176.094 -0.077 0.000 1.201 363 V CA 0.684 62.719 62.300 -0.442 0.000 1.166 363 V CB -1.079 30.510 31.823 -0.390 0.000 0.825 363 V HN 0.304 nan 8.190 nan 0.000 0.484 364 I N 1.969 122.518 120.570 -0.036 0.000 2.252 364 I HA -0.057 4.116 4.170 0.005 0.000 0.245 364 I C 2.771 178.903 176.117 0.025 0.000 1.102 364 I CA 1.694 63.018 61.300 0.040 0.000 1.385 364 I CB -0.943 37.044 38.000 -0.021 0.000 1.064 364 I HN 0.444 nan 8.210 nan 0.000 0.414 365 G N 0.699 109.461 108.800 -0.064 0.000 2.440 365 G HA2 -0.267 3.696 3.960 0.005 0.000 0.218 365 G HA3 -0.267 3.696 3.960 0.005 0.000 0.218 365 G C 1.875 176.724 174.900 -0.086 0.000 1.154 365 G CA 0.908 45.957 45.100 -0.086 0.000 0.767 365 G HN 0.492 nan 8.290 nan 0.000 0.552 366 A N -0.030 122.699 122.820 -0.152 0.000 1.902 366 A HA 0.001 4.324 4.320 0.005 0.000 0.217 366 A C 2.243 179.859 177.584 0.053 0.000 1.181 366 A CA 1.596 53.523 52.037 -0.183 0.000 0.623 366 A CB -0.650 17.941 19.000 -0.682 0.000 0.818 366 A HN 0.383 nan 8.150 nan 0.000 0.443 367 Y N 0.240 120.608 120.300 0.113 0.000 2.181 367 Y HA -0.165 4.387 4.550 0.005 0.000 0.288 367 Y C 2.492 178.461 175.900 0.115 0.000 1.146 367 Y CA 1.834 60.048 58.100 0.189 0.000 1.164 367 Y CB -0.307 38.211 38.460 0.097 0.000 0.982 367 Y HN 0.441 nan 8.280 nan 0.000 0.515 368 E N -0.496 119.826 120.200 0.203 0.000 2.204 368 E HA -0.186 4.167 4.350 0.005 0.000 0.194 368 E C 1.381 178.041 176.600 0.101 0.000 0.989 368 E CA 1.042 57.511 56.400 0.115 0.000 0.824 368 E CB -0.098 29.634 29.700 0.052 0.000 0.756 368 E HN 0.436 nan 8.360 nan 0.000 0.477 369 D N 0.356 120.813 120.400 0.095 0.000 2.264 369 D HA -0.067 4.576 4.640 0.005 0.000 0.208 369 D C 1.423 177.856 176.300 0.222 0.000 0.966 369 D CA 0.717 54.764 54.000 0.078 0.000 0.864 369 D CB 0.189 40.944 40.800 -0.075 0.000 0.933 369 D HN 0.166 nan 8.370 nan 0.000 0.499 370 L N -1.075 120.306 121.223 0.264 0.000 2.607 370 L HA 0.216 4.559 4.340 0.005 0.000 0.228 370 L C 1.363 178.335 176.870 0.170 0.000 1.123 370 L CA 0.224 55.213 54.840 0.248 0.000 0.890 370 L CB 0.380 42.567 42.059 0.214 0.000 1.103 370 L HN 0.104 nan 8.230 nan 0.000 0.468 371 G N 0.128 109.015 108.800 0.145 0.000 2.179 371 G HA2 -0.303 3.660 3.960 0.005 0.000 0.260 371 G HA3 -0.303 3.660 3.960 0.005 0.000 0.260 371 G C 0.313 175.268 174.900 0.091 0.000 0.977 371 G CA -0.015 45.146 45.100 0.103 0.000 0.641 371 G HN 0.251 nan 8.290 nan 0.000 0.533 372 M N 0.512 120.189 119.600 0.128 0.000 2.235 372 M HA 0.450 4.933 4.480 0.005 0.000 0.351 372 M C 0.366 176.708 176.300 0.070 0.000 1.178 372 M CA -0.088 55.276 55.300 0.106 0.000 1.143 372 M CB 1.232 33.951 32.600 0.199 0.000 1.530 372 M HN 0.296 nan 8.290 nan 0.000 0.461 373 E N 1.971 122.172 120.200 0.002 0.000 2.151 373 E HA 0.383 4.736 4.350 0.005 0.000 0.275 373 E C -1.573 174.976 176.600 -0.085 0.000 0.936 373 E CA -0.651 55.733 56.400 -0.026 0.000 0.777 373 E CB 1.449 31.133 29.700 -0.027 0.000 1.108 373 E HN 0.461 nan 8.360 nan 0.000 0.401 374 V N 6.835 126.694 119.914 -0.092 0.000 2.339 374 V HA 0.015 4.138 4.120 0.005 0.000 0.261 374 V C 1.355 177.389 176.094 -0.100 0.000 1.058 374 V CA -0.086 62.126 62.300 -0.147 0.000 0.897 374 V CB 0.678 32.406 31.823 -0.159 0.000 1.052 374 V HN 0.766 nan 8.190 nan 0.000 0.480 375 V N 3.281 123.136 119.914 -0.099 0.000 2.358 375 V HA 0.256 4.379 4.120 0.005 0.000 0.246 375 V C 0.922 176.987 176.094 -0.048 0.000 1.047 375 V CA 1.593 63.852 62.300 -0.069 0.000 1.035 375 V CB -0.681 31.099 31.823 -0.072 0.000 0.658 375 V HN 0.775 nan 8.190 nan 0.000 0.452 376 G N -2.027 106.755 108.800 -0.029 0.000 2.690 376 G HA2 0.583 4.546 3.960 0.005 0.000 0.293 376 G HA3 0.583 4.546 3.960 0.005 0.000 0.293 376 G C -1.265 173.639 174.900 0.006 0.000 1.399 376 G CA 0.171 45.291 45.100 0.034 0.000 0.890 376 G HN 0.364 nan 8.290 nan 0.000 0.485 377 T N -1.534 112.920 114.554 -0.168 0.000 2.853 377 T HA 0.802 5.155 4.350 0.005 0.000 0.311 377 T C -0.212 173.970 174.700 -0.863 0.000 1.307 377 T CA 0.428 62.322 62.100 -0.344 0.000 1.019 377 T CB 1.660 70.355 68.868 -0.288 0.000 1.264 377 T HN 1.690 nan 8.240 nan 0.000 0.497 378 G N 0.831 109.207 108.800 -0.708 0.000 2.645 378 G HA2 0.677 4.640 3.960 0.005 0.000 0.292 378 G HA3 0.677 4.640 3.960 0.005 0.000 0.292 378 G C -2.437 172.283 174.900 -0.299 0.000 1.415 378 G CA -0.535 44.255 45.100 -0.518 0.000 0.785 378 G HN 0.616 nan 8.290 nan 0.000 0.483 379 Y N -0.478 119.873 120.300 0.084 0.000 2.457 379 Y HA 0.406 4.960 4.550 0.005 0.000 0.343 379 Y C 1.230 177.044 175.900 -0.144 0.000 0.994 379 Y CA -0.684 57.303 58.100 -0.188 0.000 1.031 379 Y CB 2.802 41.134 38.460 -0.214 0.000 1.246 379 Y HN 0.677 nan 8.280 nan 0.000 0.449 380 E N 1.813 121.783 120.200 -0.384 0.000 2.047 380 E HA -0.132 4.221 4.350 0.005 0.000 0.191 380 E C 0.085 176.728 176.600 0.071 0.000 0.987 380 E CA 1.647 57.931 56.400 -0.193 0.000 0.799 380 E CB 0.062 29.579 29.700 -0.305 0.000 0.752 380 E HN 0.619 nan 8.360 nan 0.000 0.449 381 F N -2.238 117.811 119.950 0.164 0.000 2.811 381 F HA 0.558 5.087 4.527 0.004 0.000 0.342 381 F C -0.223 175.693 175.800 0.194 0.000 1.203 381 F CA -1.067 57.037 58.000 0.173 0.000 1.173 381 F CB -0.353 38.715 39.000 0.113 0.000 1.094 381 F HN -0.218 nan 8.300 nan 0.000 0.510 382 A N 0.976 123.865 122.820 0.117 0.000 2.425 382 A HA 0.370 4.693 4.320 0.005 0.000 0.249 382 A C 0.093 177.836 177.584 0.265 0.000 1.084 382 A CA -0.144 51.873 52.037 -0.033 0.000 0.781 382 A CB -0.077 18.382 19.000 -0.901 0.000 1.019 382 A HN 0.659 nan 8.150 nan 0.000 0.490 383 H N 0.967 120.069 119.070 0.053 0.000 2.581 383 H HA 0.060 4.620 4.556 0.005 0.000 0.369 383 H C 0.633 176.056 175.328 0.158 0.000 1.351 383 H CA -0.185 55.945 56.048 0.137 0.000 1.434 383 H CB 0.632 30.478 29.762 0.140 0.000 1.558 383 H HN 0.844 nan 8.280 nan 0.000 0.608 384 N N 0.394 119.284 118.700 0.316 0.000 2.309 384 N HA -0.160 4.583 4.740 0.005 0.000 0.182 384 N C 1.081 176.700 175.510 0.181 0.000 1.018 384 N CA 1.186 54.399 53.050 0.270 0.000 0.876 384 N CB -0.011 38.570 38.487 0.156 0.000 0.972 384 N HN 0.597 nan 8.380 nan 0.000 0.434 385 D N 0.238 120.734 120.400 0.160 0.000 2.219 385 D HA -0.146 4.497 4.640 0.005 0.000 0.205 385 D C 0.929 177.213 176.300 -0.026 0.000 0.970 385 D CA 0.999 55.048 54.000 0.081 0.000 0.851 385 D CB -0.359 40.524 40.800 0.139 0.000 0.943 385 D HN 0.189 nan 8.370 nan 0.000 0.488 386 D N -0.186 120.177 120.400 -0.061 0.000 2.117 386 D HA -0.143 4.500 4.640 0.005 0.000 0.198 386 D C 1.768 177.859 176.300 -0.349 0.000 0.982 386 D CA 0.883 54.712 54.000 -0.285 0.000 0.828 386 D CB -0.360 40.103 40.800 -0.562 0.000 0.967 386 D HN 0.280 nan 8.370 nan 0.000 0.464 387 Y N 1.753 121.973 120.300 -0.134 0.000 2.352 387 Y HA -0.112 4.441 4.550 0.005 0.000 0.292 387 Y C 2.107 177.998 175.900 -0.015 0.000 1.136 387 Y CA 0.752 58.823 58.100 -0.047 0.000 1.227 387 Y CB -0.081 38.366 38.460 -0.021 0.000 0.991 387 Y HN -0.078 nan 8.280 nan 0.000 0.545 388 D N -0.316 120.131 120.400 0.079 0.000 2.117 388 D HA -0.120 4.523 4.640 0.005 0.000 0.198 388 D C 2.095 178.396 176.300 0.002 0.000 0.982 388 D CA 1.111 55.135 54.000 0.040 0.000 0.828 388 D CB -0.223 40.584 40.800 0.013 0.000 0.967 388 D HN 0.339 nan 8.370 nan 0.000 0.464 389 R N 0.209 120.684 120.500 -0.042 0.000 2.115 389 R HA -0.026 4.317 4.340 0.005 0.000 0.230 389 R C 2.242 178.537 176.300 -0.008 0.000 1.111 389 R CA 1.075 57.144 56.100 -0.052 0.000 0.976 389 R CB -0.264 29.974 30.300 -0.104 0.000 0.870 389 R HN 0.126 nan 8.270 nan 0.000 0.445 390 T N 1.290 115.854 114.554 0.017 0.000 2.777 390 T HA -0.091 4.262 4.350 0.005 0.000 0.266 390 T C 1.849 176.579 174.700 0.050 0.000 1.040 390 T CA 1.216 63.351 62.100 0.059 0.000 1.141 390 T CB -0.060 68.886 68.868 0.130 0.000 0.868 390 T HN 0.182 nan 8.240 nan 0.000 0.444 391 M N 0.928 120.565 119.600 0.062 0.000 2.279 391 M HA -0.080 4.403 4.480 0.005 0.000 0.264 391 M C 2.146 178.455 176.300 0.015 0.000 1.062 391 M CA 1.488 56.813 55.300 0.042 0.000 1.099 391 M CB -0.491 32.139 32.600 0.049 0.000 1.394 391 M HN 0.227 nan 8.290 nan 0.000 0.426 392 K N 0.019 120.423 120.400 0.006 0.000 2.057 392 K HA -0.099 4.224 4.320 0.005 0.000 0.206 392 K C 1.910 178.503 176.600 -0.011 0.000 1.050 392 K CA 0.932 57.215 56.287 -0.006 0.000 0.935 392 K CB -0.177 32.315 32.500 -0.014 0.000 0.715 392 K HN 0.219 nan 8.250 nan 0.000 0.439 393 E N 0.510 120.704 120.200 -0.011 0.000 2.072 393 E HA -0.049 4.304 4.350 0.005 0.000 0.191 393 E C 0.814 177.402 176.600 -0.021 0.000 0.985 393 E CA 0.727 57.115 56.400 -0.020 0.000 0.801 393 E CB -0.056 29.632 29.700 -0.020 0.000 0.750 393 E HN 0.191 nan 8.360 nan 0.000 0.452 394 M N 0.790 120.381 119.600 -0.016 0.000 2.245 394 M HA 0.158 4.641 4.480 0.005 0.000 0.344 394 M C 0.944 177.233 176.300 -0.019 0.000 1.170 394 M CA -0.005 55.281 55.300 -0.022 0.000 1.135 394 M CB 0.326 32.916 32.600 -0.017 0.000 1.574 394 M HN -0.068 nan 8.290 nan 0.000 0.452 395 G N 1.512 110.298 108.800 -0.024 0.000 2.621 395 G HA2 0.177 4.140 3.960 0.005 0.000 0.271 395 G HA3 0.177 4.140 3.960 0.005 0.000 0.271 395 G C -0.760 174.130 174.900 -0.018 0.000 1.236 395 G CA -0.505 44.584 45.100 -0.020 0.000 0.958 395 G HN 0.734 nan 8.290 nan 0.000 0.512 396 D N -1.545 118.846 120.400 -0.015 0.000 2.382 396 D HA 0.300 4.943 4.640 0.005 0.000 0.245 396 D C 0.908 177.198 176.300 -0.018 0.000 1.120 396 D CA 0.743 54.734 54.000 -0.014 0.000 0.890 396 D CB 0.513 41.306 40.800 -0.011 0.000 1.201 396 D HN 0.304 nan 8.370 nan 0.000 0.433 397 S N 0.519 116.209 115.700 -0.017 0.000 3.445 397 S HA -0.194 4.279 4.470 0.005 0.000 0.319 397 S C 0.258 174.839 174.600 -0.030 0.000 1.209 397 S CA 0.963 59.150 58.200 -0.022 0.000 0.934 397 S CB -2.237 60.951 63.200 -0.020 0.000 0.999 397 S HN 0.791 nan 8.310 nan 0.000 0.582 398 T N 0.065 114.601 114.554 -0.030 0.000 2.909 398 T HA 0.636 4.989 4.350 0.005 0.000 0.289 398 T C 0.047 174.724 174.700 -0.039 0.000 1.005 398 T CA -0.912 61.166 62.100 -0.037 0.000 1.084 398 T CB 1.355 70.201 68.868 -0.036 0.000 0.975 398 T HN 0.211 nan 8.240 nan 0.000 0.509 399 L N 2.891 124.088 121.223 -0.043 0.000 2.367 399 L HA 0.479 4.822 4.340 0.005 0.000 0.275 399 L C -0.816 176.052 176.870 -0.003 0.000 1.129 399 L CA -0.242 54.573 54.840 -0.041 0.000 0.839 399 L CB -0.132 41.860 42.059 -0.112 0.000 1.133 399 L HN 0.644 nan 8.230 nan 0.000 0.453 400 L N 6.699 127.920 121.223 -0.004 0.000 2.385 400 L HA 0.481 4.824 4.340 0.005 0.000 0.273 400 L C -1.402 175.496 176.870 0.046 0.000 0.990 400 L CA -0.889 53.896 54.840 -0.091 0.000 0.821 400 L CB 1.611 43.676 42.059 0.009 0.000 1.279 400 L HN 0.638 nan 8.230 nan 0.000 0.412 401 Y N -0.351 120.060 120.300 0.186 0.000 2.457 401 Y HA 0.621 5.174 4.550 0.005 0.000 0.343 401 Y C -0.982 175.118 175.900 0.333 0.000 0.994 401 Y CA -1.582 56.654 58.100 0.227 0.000 1.031 401 Y CB 1.393 39.994 38.460 0.235 0.000 1.246 401 Y HN 0.458 nan 8.280 nan 0.000 0.449 402 D N 2.603 123.253 120.400 0.416 0.000 2.408 402 D HA 0.257 4.900 4.640 0.005 0.000 0.243 402 D C -0.506 176.007 176.300 0.355 0.000 1.075 402 D CA 0.032 54.308 54.000 0.459 0.000 0.832 402 D CB 0.880 41.903 40.800 0.373 0.000 1.162 402 D HN 0.735 nan 8.370 nan 0.000 0.515 403 D N 3.081 123.721 120.400 0.400 0.000 2.705 403 D HA -0.191 4.452 4.640 0.005 0.000 0.240 403 D C -0.793 175.603 176.300 0.160 0.000 1.137 403 D CA 0.246 54.409 54.000 0.272 0.000 0.677 403 D CB -0.774 40.071 40.800 0.075 0.000 1.049 403 D HN 0.228 nan 8.370 nan 0.000 0.427 404 V N 1.571 121.543 119.914 0.097 0.000 2.740 404 V HA 0.335 4.458 4.120 0.005 0.000 0.303 404 V C 1.349 177.371 176.094 -0.120 0.000 1.054 404 V CA 0.824 63.058 62.300 -0.110 0.000 1.106 404 V CB 1.217 32.757 31.823 -0.473 0.000 0.957 404 V HN 0.484 nan 8.190 nan 0.000 0.486 405 T N 3.667 118.209 114.554 -0.021 0.000 2.849 405 T HA 0.411 4.764 4.350 0.005 0.000 0.284 405 T C 1.339 176.063 174.700 0.040 0.000 1.004 405 T CA -0.009 62.126 62.100 0.058 0.000 1.021 405 T CB 1.294 70.274 68.868 0.186 0.000 1.013 405 T HN 0.929 nan 8.240 nan 0.000 0.527 406 G N -0.235 108.625 108.800 0.100 0.000 2.418 406 G HA2 -0.204 3.759 3.960 0.005 0.000 0.217 406 G HA3 -0.204 3.759 3.960 0.005 0.000 0.217 406 G C 1.189 176.145 174.900 0.094 0.000 1.158 406 G CA 0.932 46.104 45.100 0.121 0.000 0.771 406 G HN 0.901 nan 8.290 nan 0.000 0.545 407 Y N 1.337 121.637 120.300 0.001 0.000 2.181 407 Y HA -0.079 4.474 4.550 0.005 0.000 0.288 407 Y C 2.634 178.441 175.900 -0.154 0.000 1.146 407 Y CA 2.228 60.289 58.100 -0.064 0.000 1.164 407 Y CB -0.237 38.183 38.460 -0.067 0.000 0.982 407 Y HN 0.340 nan 8.280 nan 0.000 0.515 408 E N -0.554 119.391 120.200 -0.425 0.000 2.077 408 E HA -0.193 4.160 4.350 0.005 0.000 0.193 408 E C 1.946 178.049 176.600 -0.829 0.000 0.989 408 E CA 1.294 57.214 56.400 -0.800 0.000 0.800 408 E CB -0.417 28.985 29.700 -0.498 0.000 0.746 408 E HN 0.479 nan 8.360 nan 0.000 0.452 409 F N 1.955 121.579 119.950 -0.543 0.000 2.134 409 F HA -0.163 4.366 4.527 0.004 0.000 0.299 409 F C 2.219 177.940 175.800 -0.132 0.000 1.097 409 F CA 1.592 59.400 58.000 -0.320 0.000 1.264 409 F CB -0.272 38.636 39.000 -0.153 0.000 1.001 409 F HN -0.013 nan 8.300 nan 0.000 0.479 410 E N -0.273 119.874 120.200 -0.088 0.000 2.072 410 E HA -0.199 4.154 4.350 0.005 0.000 0.191 410 E C 2.046 178.544 176.600 -0.170 0.000 0.985 410 E CA 1.269 57.614 56.400 -0.092 0.000 0.801 410 E CB -0.009 29.621 29.700 -0.116 0.000 0.750 410 E HN 0.275 nan 8.360 nan 0.000 0.452 411 E N 0.178 120.167 120.200 -0.352 0.000 2.077 411 E HA -0.165 4.188 4.350 0.005 0.000 0.193 411 E C 1.922 178.458 176.600 -0.106 0.000 0.989 411 E CA 0.776 56.988 56.400 -0.313 0.000 0.800 411 E CB -0.403 28.955 29.700 -0.570 0.000 0.746 411 E HN 0.317 nan 8.360 nan 0.000 0.452 412 F N 0.618 120.449 119.950 -0.198 0.000 2.134 412 F HA -0.142 4.388 4.527 0.005 0.000 0.299 412 F C 2.531 178.225 175.800 -0.176 0.000 1.097 412 F CA 0.437 58.340 58.000 -0.160 0.000 1.264 412 F CB -1.209 37.689 39.000 -0.170 0.000 1.001 412 F HN -0.139 nan 8.300 nan 0.000 0.479 413 V N 0.063 119.948 119.914 -0.049 0.000 2.427 413 V HA -0.269 3.855 4.120 0.005 0.000 0.248 413 V C 2.274 178.308 176.094 -0.100 0.000 1.051 413 V CA 1.672 63.864 62.300 -0.181 0.000 1.048 413 V CB -0.590 31.008 31.823 -0.376 0.000 0.666 413 V HN 0.288 nan 8.190 nan 0.000 0.456 414 K N -0.100 120.266 120.400 -0.057 0.000 2.057 414 K HA -0.203 4.120 4.320 0.005 0.000 0.206 414 K C 2.375 178.956 176.600 -0.033 0.000 1.050 414 K CA 1.482 57.745 56.287 -0.039 0.000 0.935 414 K CB -0.223 32.256 32.500 -0.035 0.000 0.715 414 K HN 0.187 nan 8.250 nan 0.000 0.439 415 R N 1.681 122.172 120.500 -0.016 0.000 2.066 415 R HA -0.012 4.331 4.340 0.005 0.000 0.232 415 R C 1.957 178.242 176.300 -0.025 0.000 1.131 415 R CA 1.341 57.436 56.100 -0.008 0.000 0.955 415 R CB -0.492 29.820 30.300 0.021 0.000 0.851 415 R HN 0.145 nan 8.270 nan 0.000 0.432 416 I N 0.723 121.271 120.570 -0.036 0.000 2.252 416 I HA -0.165 4.008 4.170 0.005 0.000 0.245 416 I C 0.374 176.448 176.117 -0.072 0.000 1.102 416 I CA 1.044 62.309 61.300 -0.058 0.000 1.385 416 I CB -0.198 37.760 38.000 -0.071 0.000 1.064 416 I HN 0.196 nan 8.210 nan 0.000 0.414 417 K N 0.151 120.500 120.400 -0.086 0.000 3.239 417 K HA -0.132 4.191 4.320 0.005 0.000 0.270 417 K C -2.233 174.297 176.600 -0.116 0.000 1.049 417 K CA -0.199 56.031 56.287 -0.095 0.000 0.769 417 K CB -1.667 30.793 32.500 -0.067 0.000 1.305 417 K HN 0.340 nan 8.250 nan 0.000 0.469 418 P HA 0.001 nan 4.420 nan 0.000 0.271 418 P C 0.082 177.270 177.300 -0.186 0.000 1.218 418 P CA -0.026 62.973 63.100 -0.170 0.000 0.780 418 P CB 0.722 32.296 31.700 -0.209 0.000 0.901 419 D N 1.007 121.305 120.400 -0.170 0.000 2.117 419 D HA -0.031 4.612 4.640 0.005 0.000 0.198 419 D C 0.815 176.972 176.300 -0.238 0.000 0.982 419 D CA 1.315 55.207 54.000 -0.179 0.000 0.828 419 D CB 0.258 40.978 40.800 -0.133 0.000 0.967 419 D HN 0.311 nan 8.370 nan 0.000 0.464 420 L N -0.054 121.027 121.223 -0.237 0.000 2.388 420 L HA 0.484 4.827 4.340 0.005 0.000 0.264 420 L C -1.644 175.043 176.870 -0.305 0.000 0.998 420 L CA -0.691 53.991 54.840 -0.262 0.000 0.817 420 L CB 2.469 44.409 42.059 -0.197 0.000 1.338 420 L HN -0.254 nan 8.230 nan 0.000 0.414 421 I N 3.193 123.550 120.570 -0.355 0.000 2.436 421 I HA 0.476 4.649 4.170 0.005 0.000 0.289 421 I C 0.160 175.911 176.117 -0.610 0.000 1.010 421 I CA -0.573 60.461 61.300 -0.443 0.000 1.098 421 I CB 1.954 39.626 38.000 -0.546 0.000 1.266 421 I HN 0.723 nan 8.210 nan 0.000 0.434 422 G N 3.422 111.973 108.800 -0.416 0.000 2.370 422 G HA2 0.637 4.600 3.960 0.005 0.000 0.317 422 G HA3 0.637 4.600 3.960 0.005 0.000 0.317 422 G C -0.794 173.940 174.900 -0.276 0.000 1.162 422 G CA -0.155 44.719 45.100 -0.377 0.000 0.922 422 G HN 0.543 nan 8.290 nan 0.000 0.454 423 S N 0.189 115.693 115.700 -0.328 0.000 2.724 423 S HA 0.785 5.258 4.470 0.005 0.000 0.278 423 S C 0.528 175.413 174.600 0.475 0.000 1.190 423 S CA 0.065 58.375 58.200 0.182 0.000 0.860 423 S CB 0.678 64.199 63.200 0.534 0.000 1.206 423 S HN 1.074 nan 8.310 nan 0.000 0.507 424 G N 0.610 109.771 108.800 0.603 0.000 2.535 424 G HA2 0.442 4.405 3.960 0.005 0.000 0.282 424 G HA3 0.442 4.405 3.960 0.005 0.000 0.282 424 G C 0.775 175.899 174.900 0.372 0.000 1.350 424 G CA -0.159 45.279 45.100 0.564 0.000 1.039 424 G HN 0.586 nan 8.290 nan 0.000 0.509 425 I N -0.600 120.079 120.570 0.181 0.000 2.315 425 I HA -0.017 4.156 4.170 0.005 0.000 0.248 425 I C 2.600 178.767 176.117 0.082 0.000 1.117 425 I CA 1.470 62.825 61.300 0.091 0.000 1.404 425 I CB -0.158 37.924 38.000 0.138 0.000 1.071 425 I HN 0.512 nan 8.210 nan 0.000 0.419 426 K N 0.181 120.655 120.400 0.124 0.000 2.057 426 K HA -0.179 4.144 4.320 0.005 0.000 0.206 426 K C 1.862 178.525 176.600 0.105 0.000 1.050 426 K CA 1.763 58.126 56.287 0.127 0.000 0.935 426 K CB -0.166 32.409 32.500 0.126 0.000 0.715 426 K HN 0.307 nan 8.250 nan 0.000 0.439 427 E N 1.101 121.412 120.200 0.185 0.000 2.204 427 E HA -0.159 4.195 4.350 0.005 0.000 0.194 427 E C 1.708 178.254 176.600 -0.091 0.000 0.989 427 E CA 0.911 57.465 56.400 0.257 0.000 0.824 427 E CB -0.041 30.111 29.700 0.753 0.000 0.756 427 E HN 0.226 nan 8.360 nan 0.000 0.477 428 K N 0.389 120.389 120.400 -0.666 0.000 2.057 428 K HA -0.155 4.168 4.320 0.005 0.000 0.207 428 K C 1.419 177.441 176.600 -0.964 0.000 1.049 428 K CA 1.287 56.552 56.287 -1.704 0.000 0.931 428 K CB -0.201 31.259 32.500 -1.733 0.000 0.714 428 K HN 0.088 nan 8.250 nan 0.000 0.440 429 F N 1.189 120.969 119.950 -0.283 0.000 2.293 429 F HA -0.035 4.495 4.527 0.005 0.000 0.300 429 F C 2.009 177.718 175.800 -0.152 0.000 1.086 429 F CA 0.689 58.601 58.000 -0.148 0.000 1.375 429 F CB -0.262 38.685 39.000 -0.089 0.000 1.045 429 F HN -0.016 nan 8.300 nan 0.000 0.516 430 I N -1.266 119.213 120.570 -0.152 0.000 2.252 430 I HA -0.282 3.891 4.170 0.005 0.000 0.245 430 I C 2.069 177.991 176.117 -0.325 0.000 1.102 430 I CA 1.182 62.306 61.300 -0.293 0.000 1.385 430 I CB -0.478 37.174 38.000 -0.580 0.000 1.064 430 I HN -0.045 nan 8.210 nan 0.000 0.414 431 F N 0.931 120.867 119.950 -0.023 0.000 2.186 431 F HA -0.163 4.367 4.527 0.005 0.000 0.299 431 F C 2.628 178.458 175.800 0.051 0.000 1.090 431 F CA 1.118 59.121 58.000 0.007 0.000 1.307 431 F CB -0.925 38.132 39.000 0.094 0.000 1.019 431 F HN 0.103 nan 8.300 nan 0.000 0.489 432 Q N 0.074 120.008 119.800 0.223 0.000 2.167 432 Q HA -0.181 4.162 4.340 0.005 0.000 0.202 432 Q C 2.085 178.273 176.000 0.312 0.000 0.970 432 Q CA 1.199 57.219 55.803 0.361 0.000 0.855 432 Q CB -0.252 28.708 28.738 0.370 0.000 0.911 432 Q HN 0.396 nan 8.270 nan 0.000 0.438 433 K N 0.622 121.131 120.400 0.181 0.000 2.057 433 K HA -0.050 4.273 4.320 0.005 0.000 0.206 433 K C 1.906 178.581 176.600 0.126 0.000 1.050 433 K CA 1.133 57.499 56.287 0.132 0.000 0.935 433 K CB 0.001 32.542 32.500 0.068 0.000 0.715 433 K HN 0.129 nan 8.250 nan 0.000 0.439 434 M N -0.693 118.973 119.600 0.110 0.000 2.539 434 M HA -0.085 4.398 4.480 0.005 0.000 0.261 434 M C 1.037 177.409 176.300 0.120 0.000 1.069 434 M CA 1.326 56.686 55.300 0.100 0.000 1.081 434 M CB 0.132 32.802 32.600 0.118 0.000 1.412 434 M HN 0.553 nan 8.290 nan 0.000 0.482 435 G N 0.776 109.693 108.800 0.194 0.000 2.175 435 G HA2 -0.243 3.720 3.960 0.005 0.000 0.244 435 G HA3 -0.243 3.720 3.960 0.005 0.000 0.244 435 G C 0.160 175.033 174.900 -0.046 0.000 0.982 435 G CA -0.323 44.916 45.100 0.233 0.000 0.641 435 G HN 0.448 nan 8.290 nan 0.000 0.527 436 I N 2.263 122.748 120.570 -0.141 0.000 2.352 436 I HA 0.289 4.462 4.170 0.005 0.000 0.290 436 I C -2.001 173.736 176.117 -0.633 0.000 1.036 436 I CA -2.197 58.893 61.300 -0.351 0.000 1.336 436 I CB 1.374 39.273 38.000 -0.170 0.000 1.407 436 I HN -0.161 nan 8.210 nan 0.000 0.497 437 P HA 0.016 nan 4.420 nan 0.000 0.264 437 P C -1.018 176.142 177.300 -0.233 0.000 1.193 437 P CA 0.315 62.861 63.100 -0.924 0.000 0.763 437 P CB 0.281 31.482 31.700 -0.833 0.000 0.810 438 F N 4.487 124.373 119.950 -0.106 0.000 2.529 438 F HA 0.524 5.055 4.527 0.005 0.000 0.320 438 F C -0.294 175.551 175.800 0.076 0.000 1.118 438 F CA -0.745 57.258 58.000 0.006 0.000 0.915 438 F CB 1.417 40.459 39.000 0.069 0.000 1.161 438 F HN 0.053 nan 8.300 nan 0.000 0.445 439 R N 4.060 124.532 120.500 -0.047 0.000 2.534 439 R HA 0.293 4.637 4.340 0.005 0.000 0.301 439 R C -0.974 175.368 176.300 0.069 0.000 0.961 439 R CA -0.805 55.366 56.100 0.118 0.000 0.871 439 R CB 1.770 32.116 30.300 0.076 0.000 1.170 439 R HN 0.744 nan 8.270 nan 0.000 0.446 440 E N 3.446 123.824 120.200 0.297 0.000 2.223 440 E HA 0.095 4.448 4.350 0.005 0.000 0.282 440 E C 0.792 177.522 176.600 0.217 0.000 1.046 440 E CA -0.320 56.266 56.400 0.309 0.000 0.857 440 E CB 0.931 30.761 29.700 0.217 0.000 1.055 440 E HN 0.210 nan 8.360 nan 0.000 0.409 441 M N 2.006 121.689 119.600 0.138 0.000 2.288 441 M HA -0.072 4.411 4.480 0.005 0.000 0.266 441 M C 1.656 177.754 176.300 -0.337 0.000 1.072 441 M CA 1.444 56.811 55.300 0.111 0.000 1.132 441 M CB -0.774 31.853 32.600 0.045 0.000 1.386 441 M HN 0.587 nan 8.290 nan 0.000 0.432 442 H N -0.454 118.468 119.070 -0.248 0.000 2.299 442 H HA 0.013 4.572 4.556 0.005 0.000 0.302 442 H C 1.968 176.889 175.328 -0.679 0.000 1.078 442 H CA 2.022 57.810 56.048 -0.434 0.000 1.323 442 H CB -0.193 29.445 29.762 -0.207 0.000 1.381 442 H HN 0.420 nan 8.280 nan 0.000 0.498 443 S N -1.129 114.375 115.700 -0.327 0.000 2.577 443 S HA -0.034 4.439 4.470 0.005 0.000 0.219 443 S C 0.164 174.564 174.600 -0.334 0.000 0.962 443 S CA -0.480 57.488 58.200 -0.388 0.000 0.921 443 S CB -0.718 62.293 63.200 -0.314 0.000 0.789 443 S HN 0.603 nan 8.310 nan 0.000 0.497 444 W N 1.833 122.976 121.300 -0.262 0.000 5.538 444 W HA -0.205 4.457 4.660 0.003 0.000 0.377 444 W C 0.037 176.368 176.519 -0.313 0.000 1.406 444 W CA 0.108 57.204 57.345 -0.414 0.000 0.940 444 W CB -2.273 26.689 29.460 -0.830 0.000 2.536 444 W HN 0.384 nan 8.180 nan 0.000 1.504 445 D N -0.454 119.859 120.400 -0.146 0.000 2.701 445 D HA -0.270 4.373 4.640 0.005 0.000 0.235 445 D C 0.265 176.363 176.300 -0.337 0.000 1.155 445 D CA 2.251 56.057 54.000 -0.323 0.000 0.649 445 D CB -1.054 39.773 40.800 0.045 0.000 1.050 445 D HN 0.605 nan 8.370 nan 0.000 0.425 446 Y N -2.969 117.405 120.300 0.123 0.000 4.177 446 Y HA -0.297 4.259 4.550 0.011 0.000 0.227 446 Y C 1.242 177.207 175.900 0.108 0.000 1.154 446 Y CA 1.037 59.204 58.100 0.112 0.000 1.887 446 Y CB -2.254 36.279 38.460 0.122 0.000 1.594 446 Y HN 0.197 nan 8.280 nan 0.000 0.668 447 S N -1.196 114.559 115.700 0.092 0.000 4.355 447 S HA 0.802 5.275 4.470 0.005 0.000 0.201 447 S C 1.080 175.679 174.600 -0.001 0.000 1.044 447 S CA 0.717 58.971 58.200 0.091 0.000 1.777 447 S CB 0.821 64.094 63.200 0.122 0.000 0.797 447 S HN 1.715 nan 8.310 nan 0.000 0.774 448 G N 1.533 110.275 108.800 -0.097 0.000 2.796 448 G HA2 -0.129 3.834 3.960 0.005 0.000 0.226 448 G HA3 -0.129 3.834 3.960 0.005 0.000 0.226 448 G C -2.943 171.958 174.900 0.001 0.000 1.381 448 G CA -0.286 44.703 45.100 -0.185 0.000 0.867 448 G HN 0.650 nan 8.290 nan 0.000 0.552 449 P HA 0.319 nan 4.420 nan 0.000 0.274 449 P C -0.189 177.093 177.300 -0.029 0.000 1.231 449 P CA -0.126 62.918 63.100 -0.092 0.000 0.790 449 P CB 0.608 32.288 31.700 -0.034 0.000 0.951 450 Y N -0.964 119.045 120.300 -0.485 0.000 2.478 450 Y HA 0.132 4.685 4.550 0.005 0.000 0.261 450 Y C 1.422 177.186 175.900 -0.227 0.000 1.127 450 Y CA -0.347 57.480 58.100 -0.455 0.000 1.288 450 Y CB -0.894 36.989 38.460 -0.961 0.000 1.084 450 Y HN 0.430 nan 8.280 nan 0.000 0.530 451 H N -0.433 118.504 119.070 -0.222 0.000 2.629 451 H HA 0.412 4.971 4.556 0.006 0.000 0.357 451 H C 1.036 176.250 175.328 -0.191 0.000 1.121 451 H CA 0.187 56.038 56.048 -0.327 0.000 1.406 451 H CB 0.844 30.435 29.762 -0.284 0.000 1.456 451 H HN 0.347 nan 8.280 nan 0.000 0.579 452 G N 1.064 109.760 108.800 -0.173 0.000 2.741 452 G HA2 -0.322 3.641 3.960 0.005 0.000 0.222 452 G HA3 -0.322 3.641 3.960 0.005 0.000 0.222 452 G C 0.094 174.778 174.900 -0.360 0.000 1.364 452 G CA 0.047 44.892 45.100 -0.425 0.000 0.866 452 G HN 0.478 nan 8.290 nan 0.000 0.555 453 F N 0.112 119.910 119.950 -0.254 0.000 2.146 453 F HA 0.062 4.592 4.527 0.005 0.000 0.298 453 F C 2.639 178.445 175.800 0.010 0.000 1.096 453 F CA 1.844 59.755 58.000 -0.148 0.000 1.275 453 F CB -0.351 38.468 39.000 -0.301 0.000 1.008 453 F HN 0.455 nan 8.300 nan 0.000 0.480 454 D N -0.199 120.270 120.400 0.115 0.000 2.144 454 D HA -0.096 4.547 4.640 0.005 0.000 0.200 454 D C 2.504 178.879 176.300 0.124 0.000 0.978 454 D CA 1.452 55.527 54.000 0.124 0.000 0.833 454 D CB -0.592 40.260 40.800 0.087 0.000 0.961 454 D HN 0.358 nan 8.370 nan 0.000 0.470 455 G N 0.165 109.020 108.800 0.091 0.000 2.422 455 G HA2 -0.256 3.707 3.960 0.005 0.000 0.218 455 G HA3 -0.256 3.707 3.960 0.005 0.000 0.218 455 G C 1.418 176.371 174.900 0.089 0.000 1.140 455 G CA 0.034 45.186 45.100 0.086 0.000 0.775 455 G HN 0.212 nan 8.290 nan 0.000 0.545 456 F N 2.375 122.303 119.950 -0.035 0.000 2.234 456 F HA 0.151 4.682 4.527 0.006 0.000 0.299 456 F C 2.661 178.488 175.800 0.045 0.000 1.087 456 F CA 0.958 58.939 58.000 -0.031 0.000 1.340 456 F CB -0.129 38.852 39.000 -0.031 0.000 1.031 456 F HN 0.212 nan 8.300 nan 0.000 0.500 457 A N 0.702 123.523 122.820 0.002 0.000 1.898 457 A HA -0.123 4.200 4.320 0.005 0.000 0.216 457 A C 2.279 179.746 177.584 -0.194 0.000 1.181 457 A CA 1.878 53.875 52.037 -0.067 0.000 0.620 457 A CB -1.132 17.935 19.000 0.112 0.000 0.819 457 A HN 0.461 nan 8.150 nan 0.000 0.442 458 I N -1.796 118.720 120.570 -0.090 0.000 2.226 458 I HA -0.224 3.949 4.170 0.005 0.000 0.245 458 I C 2.371 178.348 176.117 -0.232 0.000 1.100 458 I CA 1.637 62.902 61.300 -0.060 0.000 1.374 458 I CB -0.387 37.678 38.000 0.109 0.000 1.057 458 I HN 0.453 nan 8.210 nan 0.000 0.413 459 F N 1.894 121.479 119.950 -0.608 0.000 2.134 459 F HA -0.202 4.328 4.527 0.005 0.000 0.299 459 F C 2.453 177.738 175.800 -0.859 0.000 1.097 459 F CA 1.454 58.805 58.000 -1.082 0.000 1.264 459 F CB -0.287 38.007 39.000 -1.176 0.000 1.001 459 F HN -0.013 nan 8.300 nan 0.000 0.479 460 A N 0.805 123.069 122.820 -0.926 0.000 1.898 460 A HA -0.166 4.157 4.320 0.005 0.000 0.216 460 A C 2.436 179.344 177.584 -1.127 0.000 1.181 460 A CA 1.536 52.970 52.037 -1.005 0.000 0.620 460 A CB -0.888 17.566 19.000 -0.910 0.000 0.819 460 A HN 0.462 nan 8.150 nan 0.000 0.442 461 R N -0.342 119.495 120.500 -1.105 0.000 2.081 461 R HA -0.179 4.164 4.340 0.005 0.000 0.235 461 R C 1.321 177.344 176.300 -0.462 0.000 1.131 461 R CA 1.956 57.520 56.100 -0.893 0.000 0.960 461 R CB -0.386 29.659 30.300 -0.424 0.000 0.856 461 R HN 0.439 nan 8.270 nan 0.000 0.436 462 D N 0.087 120.243 120.400 -0.407 0.000 2.117 462 D HA -0.155 4.488 4.640 0.005 0.000 0.198 462 D C 1.958 178.094 176.300 -0.273 0.000 0.982 462 D CA 1.141 55.002 54.000 -0.232 0.000 0.828 462 D CB -0.076 40.654 40.800 -0.117 0.000 0.967 462 D HN 0.189 nan 8.370 nan 0.000 0.464 463 M N 0.400 119.696 119.600 -0.507 0.000 2.132 463 M HA -0.113 4.370 4.480 0.005 0.000 0.263 463 M C 1.866 178.042 176.300 -0.207 0.000 1.065 463 M CA 1.189 56.256 55.300 -0.389 0.000 1.122 463 M CB -0.985 31.265 32.600 -0.584 0.000 1.365 463 M HN 0.016 nan 8.290 nan 0.000 0.411 464 D N 0.641 120.901 120.400 -0.234 0.000 2.117 464 D HA -0.187 4.456 4.640 0.005 0.000 0.197 464 D C 2.123 178.436 176.300 0.021 0.000 0.987 464 D CA 1.859 55.825 54.000 -0.056 0.000 0.829 464 D CB -0.102 40.731 40.800 0.055 0.000 0.961 464 D HN 0.461 nan 8.370 nan 0.000 0.460 465 M N -1.088 118.515 119.600 0.005 0.000 2.132 465 M HA -0.047 4.436 4.480 0.005 0.000 0.263 465 M C 2.006 178.381 176.300 0.125 0.000 1.065 465 M CA 1.755 57.097 55.300 0.070 0.000 1.122 465 M CB -0.710 31.925 32.600 0.058 0.000 1.365 465 M HN -0.199 nan 8.290 nan 0.000 0.411 466 T N 1.647 116.277 114.554 0.127 0.000 2.777 466 T HA -0.030 4.323 4.350 0.005 0.000 0.266 466 T C 1.835 176.724 174.700 0.315 0.000 1.040 466 T CA 1.623 63.874 62.100 0.252 0.000 1.141 466 T CB -0.324 68.668 68.868 0.207 0.000 0.868 466 T HN 0.429 nan 8.240 nan 0.000 0.444 467 L N 1.148 122.446 121.223 0.124 0.000 2.056 467 L HA 0.008 4.351 4.340 0.005 0.000 0.207 467 L C 1.498 178.448 176.870 0.134 0.000 1.078 467 L CA 1.344 56.208 54.840 0.040 0.000 0.749 467 L CB -0.114 41.931 42.059 -0.023 0.000 0.901 467 L HN 0.137 nan 8.230 nan 0.000 0.433 468 N N -0.086 118.715 118.700 0.168 0.000 2.268 468 N HA -0.002 4.741 4.740 0.005 0.000 0.204 468 N C -0.082 175.554 175.510 0.211 0.000 1.124 468 N CA 0.009 53.164 53.050 0.176 0.000 0.838 468 N CB -0.370 38.184 38.487 0.111 0.000 0.994 468 N HN 0.349 nan 8.380 nan 0.000 0.489 469 N N 2.678 121.552 118.700 0.289 0.000 2.454 469 N HA 0.015 4.758 4.740 0.005 0.000 0.254 469 N C -1.465 174.079 175.510 0.056 0.000 1.228 469 N CA -0.931 52.199 53.050 0.133 0.000 0.900 469 N CB 1.590 40.115 38.487 0.063 0.000 1.089 469 N HN -0.006 nan 8.380 nan 0.000 0.449 470 P HA -0.095 nan 4.420 nan 0.000 0.223 470 P C 1.564 178.797 177.300 -0.112 0.000 1.144 470 P CA 0.816 63.900 63.100 -0.027 0.000 0.783 470 P CB -0.284 31.403 31.700 -0.022 0.000 0.771 471 C N -3.423 115.703 119.300 -0.290 0.000 2.432 471 C HA 0.025 4.488 4.460 0.005 0.000 0.280 471 C C 2.467 177.217 174.990 -0.399 0.000 1.353 471 C CA -0.468 58.303 59.018 -0.412 0.000 1.766 471 C CB -2.416 24.960 27.740 -0.607 0.000 1.924 471 C HN 0.203 nan 8.230 nan 0.000 0.509 472 W N 1.579 122.894 121.300 0.025 0.000 2.425 472 W HA 0.042 4.707 4.660 0.008 0.000 0.277 472 W C 2.470 178.993 176.519 0.007 0.000 1.231 472 W CA 0.442 57.799 57.345 0.020 0.000 1.248 472 W CB -0.342 29.132 29.460 0.023 0.000 1.117 472 W HN 0.147 nan 8.180 nan 0.000 0.568 473 K N 0.739 121.232 120.400 0.155 0.000 2.097 473 K HA -0.083 4.240 4.320 0.005 0.000 0.205 473 K C 1.506 178.129 176.600 0.038 0.000 1.050 473 K CA 1.005 57.345 56.287 0.088 0.000 0.938 473 K CB -0.507 32.027 32.500 0.057 0.000 0.718 473 K HN 0.055 nan 8.250 nan 0.000 0.442 474 K N 1.090 121.493 120.400 0.003 0.000 2.525 474 K HA 0.035 4.358 4.320 0.005 0.000 0.192 474 K C 1.866 178.444 176.600 -0.038 0.000 1.029 474 K CA 0.187 56.456 56.287 -0.030 0.000 1.029 474 K CB -0.259 32.209 32.500 -0.053 0.000 0.814 474 K HN 0.028 nan 8.250 nan 0.000 0.503 475 L N 0.661 121.883 121.223 -0.000 0.000 2.056 475 L HA -0.092 4.251 4.340 0.005 0.000 0.207 475 L C 1.420 178.256 176.870 -0.057 0.000 1.078 475 L CA 1.347 56.185 54.840 -0.004 0.000 0.749 475 L CB -0.329 41.769 42.059 0.065 0.000 0.901 475 L HN 0.245 nan 8.230 nan 0.000 0.433 476 Q N 0.304 120.062 119.800 -0.069 0.000 2.314 476 Q HA 0.428 4.771 4.340 0.005 0.000 0.258 476 Q C -0.234 175.619 176.000 -0.245 0.000 0.954 476 Q CA -0.320 55.406 55.803 -0.128 0.000 0.890 476 Q CB 1.122 29.803 28.738 -0.094 0.000 1.210 476 Q HN 0.317 nan 8.270 nan 0.000 0.410 477 A N 5.289 127.864 122.820 -0.410 0.000 2.462 477 A HA 0.219 4.542 4.320 0.005 0.000 0.243 477 A C -1.854 175.325 177.584 -0.675 0.000 1.076 477 A CA -1.188 50.362 52.037 -0.811 0.000 0.773 477 A CB -0.005 18.147 19.000 -1.413 0.000 1.010 477 A HN 0.795 nan 8.150 nan 0.000 0.493 478 P HA -0.104 nan 4.420 nan 0.000 0.218 478 P C 0.228 177.499 177.300 -0.048 0.000 1.148 478 P CA 1.289 64.285 63.100 -0.174 0.000 0.822 478 P CB -0.057 31.643 31.700 0.001 0.000 0.784 479 W N 0.556 121.863 121.300 0.011 0.000 1.438 479 W HA 0.446 5.108 4.660 0.003 0.000 0.455 479 W C -0.184 176.342 176.519 0.011 0.000 0.656 479 W CA -0.717 56.634 57.345 0.010 0.000 2.049 479 W CB -1.002 28.462 29.460 0.008 0.000 1.683 479 W HN -0.174 nan 8.180 nan 0.000 0.228 480 E N 0.000 120.208 120.200 0.013 0.000 2.725 480 E HA 0.000 4.353 4.350 0.005 0.000 0.291 480 E CA 0.000 56.390 56.400 -0.017 0.000 0.976 480 E CB 0.000 29.732 29.700 0.053 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440