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 1fp4_1_C DATA FIRST_RESID 5 DATA SEQUENCE SREEVESLIQ EVLEVYPEKA RKDRNKHLAV NXXXXXXXXX CIISNKKSQP DATA SEQUENCE GLMTIRGCAY AGSKGVVWGP IKDMIHISHG PVGCGQYSRA GRRNYYIGTT DATA SEQUENCE GVNAFVTMNF TSDFQEKDIV FGGDKKLAKL IDEVETLFPL NKGISVQSEC DATA SEQUENCE PIGLIGDDIE SVSKVKGAEL SKTIVPVRCE GFRGVSQSLG QHIANDAVRD 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 LQAPWEA 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 0.000 174.596 174.600 -0.007 0.000 1.055 5 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 5 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 6 R N 1.349 121.845 120.500 -0.007 0.000 2.185 6 R HA -0.102 4.239 4.340 0.002 0.000 0.247 6 R C 1.482 177.780 176.300 -0.002 0.000 1.159 6 R CA 2.703 58.799 56.100 -0.007 0.000 0.988 6 R CB -1.001 29.295 30.300 -0.006 0.000 0.871 6 R HN 0.783 nan 8.270 nan 0.000 0.458 7 E N -0.279 119.922 120.200 0.001 0.000 2.250 7 E HA -0.051 4.300 4.350 0.002 0.000 0.192 7 E C 1.961 178.566 176.600 0.008 0.000 0.986 7 E CA 0.697 57.100 56.400 0.005 0.000 0.849 7 E CB 0.051 29.755 29.700 0.006 0.000 0.797 7 E HN 0.725 nan 8.360 nan 0.000 0.482 8 E N 1.131 121.335 120.200 0.006 0.000 2.077 8 E HA -0.150 4.201 4.350 0.002 0.000 0.193 8 E C 1.851 178.458 176.600 0.012 0.000 0.989 8 E CA 1.266 57.672 56.400 0.009 0.000 0.800 8 E CB 0.079 29.782 29.700 0.005 0.000 0.746 8 E HN 0.164 nan 8.360 nan 0.000 0.452 9 V N 1.007 120.921 119.914 0.001 0.000 2.358 9 V HA -0.190 3.931 4.120 0.002 0.000 0.246 9 V C 2.497 178.594 176.094 0.004 0.000 1.047 9 V CA 2.064 64.357 62.300 -0.010 0.000 1.035 9 V CB -0.619 31.187 31.823 -0.029 0.000 0.658 9 V HN 0.208 nan 8.190 nan 0.000 0.452 10 E N 0.155 120.361 120.200 0.010 0.000 2.110 10 E HA -0.194 4.157 4.350 0.002 0.000 0.193 10 E C 2.408 179.029 176.600 0.035 0.000 0.988 10 E CA 1.442 57.854 56.400 0.020 0.000 0.804 10 E CB -0.265 29.444 29.700 0.015 0.000 0.745 10 E HN 0.473 nan 8.360 nan 0.000 0.458 11 S N -0.849 114.870 115.700 0.032 0.000 2.436 11 S HA 0.031 4.502 4.470 0.002 0.000 0.228 11 S C 1.774 176.406 174.600 0.053 0.000 1.014 11 S CA 0.291 58.513 58.200 0.037 0.000 0.950 11 S CB -0.147 63.069 63.200 0.026 0.000 0.784 11 S HN 0.321 nan 8.310 nan 0.000 0.504 12 L N 0.844 122.107 121.223 0.066 0.000 2.005 12 L HA -0.041 4.300 4.340 0.002 0.000 0.207 12 L C 2.184 179.160 176.870 0.176 0.000 1.072 12 L CA 1.466 56.372 54.840 0.110 0.000 0.744 12 L CB -0.374 41.755 42.059 0.117 0.000 0.895 12 L HN 0.369 nan 8.230 nan 0.000 0.433 13 I N -0.550 120.131 120.570 0.185 0.000 2.118 13 I HA -0.405 3.766 4.170 0.002 0.000 0.241 13 I C 2.688 178.902 176.117 0.162 0.000 1.070 13 I CA 1.636 63.081 61.300 0.240 0.000 1.327 13 I CB -0.450 37.639 38.000 0.148 0.000 1.034 13 I HN 0.476 nan 8.210 nan 0.000 0.405 14 Q N 0.925 120.787 119.800 0.103 0.000 2.096 14 Q HA -0.267 4.074 4.340 0.002 0.000 0.204 14 Q C 2.060 178.089 176.000 0.050 0.000 0.982 14 Q CA 1.889 57.734 55.803 0.070 0.000 0.850 14 Q CB -0.043 28.726 28.738 0.053 0.000 0.901 14 Q HN 0.563 nan 8.270 nan 0.000 0.422 15 E N -0.590 119.638 120.200 0.048 0.000 2.051 15 E HA -0.158 4.193 4.350 0.002 0.000 0.192 15 E C 2.147 178.753 176.600 0.009 0.000 0.991 15 E CA 1.399 57.815 56.400 0.026 0.000 0.799 15 E CB 0.064 29.781 29.700 0.028 0.000 0.748 15 E HN 0.183 nan 8.360 nan 0.000 0.449 16 V N 1.682 121.597 119.914 0.002 0.000 2.287 16 V HA -0.267 3.854 4.120 0.002 0.000 0.248 16 V C 2.255 178.305 176.094 -0.073 0.000 1.053 16 V CA 1.531 63.797 62.300 -0.057 0.000 1.027 16 V CB -0.456 31.247 31.823 -0.200 0.000 0.646 16 V HN 0.316 nan 8.190 nan 0.000 0.447 17 L N -0.306 120.863 121.223 -0.091 0.000 2.549 17 L HA -0.129 4.212 4.340 0.002 0.000 0.229 17 L C 2.294 179.066 176.870 -0.163 0.000 1.158 17 L CA 1.005 55.737 54.840 -0.180 0.000 0.842 17 L CB -0.673 41.425 42.059 0.065 0.000 0.952 17 L HN 0.447 nan 8.230 nan 0.000 0.452 18 E N -0.272 119.868 120.200 -0.100 0.000 2.274 18 E HA -0.117 4.234 4.350 0.002 0.000 0.194 18 E C 2.124 178.665 176.600 -0.099 0.000 0.996 18 E CA 0.496 56.860 56.400 -0.061 0.000 0.840 18 E CB 0.170 29.854 29.700 -0.026 0.000 0.772 18 E HN 0.276 nan 8.360 nan 0.000 0.491 19 V N 0.853 120.634 119.914 -0.221 0.000 2.970 19 V HA -0.155 3.966 4.120 0.002 0.000 0.260 19 V C 0.846 176.840 176.094 -0.167 0.000 1.100 19 V CA 0.923 63.066 62.300 -0.262 0.000 1.122 19 V CB -0.618 30.908 31.823 -0.494 0.000 0.721 19 V HN 0.222 nan 8.190 nan 0.000 0.483 20 Y N 0.272 120.498 120.300 -0.122 0.000 2.357 20 Y HA 0.224 4.776 4.550 0.002 0.000 0.340 20 Y C -1.270 174.593 175.900 -0.061 0.000 1.260 20 Y CA -2.399 55.644 58.100 -0.096 0.000 1.425 20 Y CB -0.149 38.280 38.460 -0.052 0.000 1.326 20 Y HN 0.126 nan 8.280 nan 0.000 0.580 21 P HA -0.052 nan 4.420 nan 0.000 0.272 21 P C 0.314 177.647 177.300 0.054 0.000 1.248 21 P CA -0.042 63.089 63.100 0.051 0.000 0.799 21 P CB 0.721 32.426 31.700 0.008 0.000 0.997 22 E N 1.033 121.249 120.200 0.027 0.000 2.031 22 E HA -0.196 4.155 4.350 0.002 0.000 0.193 22 E C 1.593 178.198 176.600 0.008 0.000 0.994 22 E CA 1.681 58.095 56.400 0.023 0.000 0.800 22 E CB -0.527 29.180 29.700 0.012 0.000 0.752 22 E HN 0.576 nan 8.360 nan 0.000 0.447 23 K N 0.501 120.893 120.400 -0.014 0.000 2.365 23 K HA 0.138 4.459 4.320 0.002 0.000 0.199 23 K C 2.028 178.593 176.600 -0.059 0.000 1.045 23 K CA 1.134 57.402 56.287 -0.031 0.000 0.962 23 K CB -0.043 32.436 32.500 -0.034 0.000 0.759 23 K HN 0.026 nan 8.250 nan 0.000 0.469 24 A N 2.125 124.893 122.820 -0.086 0.000 1.854 24 A HA -0.046 4.276 4.320 0.002 0.000 0.214 24 A C 2.198 179.716 177.584 -0.109 0.000 1.192 24 A CA 1.027 52.946 52.037 -0.197 0.000 0.611 24 A CB -0.449 18.328 19.000 -0.372 0.000 0.832 24 A HN 0.267 nan 8.150 nan 0.000 0.442 25 R N -0.188 120.354 120.500 0.070 0.000 2.103 25 R HA -0.162 4.179 4.340 0.002 0.000 0.242 25 R C 2.106 178.467 176.300 0.102 0.000 1.142 25 R CA 1.720 57.943 56.100 0.205 0.000 0.960 25 R CB -0.219 30.179 30.300 0.163 0.000 0.858 25 R HN 0.392 nan 8.270 nan 0.000 0.439 26 K N 0.203 120.623 120.400 0.032 0.000 2.025 26 K HA -0.143 4.178 4.320 0.002 0.000 0.207 26 K C 1.703 178.279 176.600 -0.041 0.000 1.049 26 K CA 1.408 57.696 56.287 0.001 0.000 0.933 26 K CB -0.456 32.036 32.500 -0.014 0.000 0.714 26 K HN 0.180 nan 8.250 nan 0.000 0.438 27 D N 0.660 121.010 120.400 -0.083 0.000 2.144 27 D HA -0.105 4.536 4.640 0.002 0.000 0.200 27 D C 1.811 177.960 176.300 -0.251 0.000 0.978 27 D CA 0.859 54.746 54.000 -0.189 0.000 0.833 27 D CB 0.301 40.996 40.800 -0.175 0.000 0.961 27 D HN -0.066 nan 8.370 nan 0.000 0.470 28 R N 0.302 120.758 120.500 -0.074 0.000 2.153 28 R HA 0.008 4.349 4.340 0.002 0.000 0.218 28 R C 1.968 178.346 176.300 0.129 0.000 1.072 28 R CA 0.326 56.467 56.100 0.068 0.000 0.990 28 R CB -1.155 29.275 30.300 0.216 0.000 0.889 28 R HN 0.452 nan 8.270 nan 0.000 0.452 29 N N 1.308 120.061 118.700 0.089 0.000 2.188 29 N HA -0.127 4.614 4.740 0.002 0.000 0.184 29 N C 1.173 176.719 175.510 0.061 0.000 1.018 29 N CA 0.910 54.016 53.050 0.093 0.000 0.858 29 N CB 0.187 38.715 38.487 0.069 0.000 0.989 29 N HN 0.187 nan 8.380 nan 0.000 0.426 30 K N -0.477 119.920 120.400 -0.006 0.000 2.211 30 K HA -0.091 4.230 4.320 0.002 0.000 0.203 30 K C 0.630 177.298 176.600 0.113 0.000 1.050 30 K CA 0.831 57.112 56.287 -0.011 0.000 0.945 30 K CB -0.003 32.427 32.500 -0.117 0.000 0.732 30 K HN 0.296 nan 8.250 nan 0.000 0.451 31 H N -0.289 118.802 119.070 0.034 0.000 2.519 31 H HA 0.272 4.829 4.556 0.002 0.000 0.289 31 H C -0.557 174.825 175.328 0.090 0.000 1.040 31 H CA 0.117 56.185 56.048 0.034 0.000 1.165 31 H CB -0.136 29.666 29.762 0.068 0.000 1.462 31 H HN -0.030 nan 8.280 nan 0.000 0.555 32 L N 0.424 121.765 121.223 0.197 0.000 2.406 32 L HA 0.704 5.046 4.340 0.002 0.000 0.272 32 L C -0.418 176.506 176.870 0.089 0.000 0.980 32 L CA -0.871 54.077 54.840 0.181 0.000 0.831 32 L CB 2.057 44.267 42.059 0.252 0.000 1.253 32 L HN 0.014 nan 8.230 nan 0.000 0.406 33 A N 2.923 125.770 122.820 0.045 0.000 2.498 33 A HA 0.877 5.198 4.320 0.002 0.000 0.298 33 A C -1.106 176.471 177.584 -0.011 0.000 1.075 33 A CA -0.568 51.475 52.037 0.010 0.000 0.714 33 A CB 2.100 21.095 19.000 -0.010 0.000 1.299 33 A HN 0.311 nan 8.150 nan 0.000 0.407 34 V N 2.263 122.170 119.914 -0.012 0.000 2.394 34 V HA 0.268 4.390 4.120 0.002 0.000 0.282 34 V C 0.531 176.616 176.094 -0.015 0.000 1.031 34 V CA -0.660 61.627 62.300 -0.021 0.000 0.881 34 V CB 1.150 32.964 31.823 -0.016 0.000 0.982 34 V HN 0.966 nan 8.190 nan 0.000 0.451 46 I N 6.473 126.992 120.570 -0.085 0.000 2.841 46 I HA 0.686 4.858 4.170 0.002 0.000 0.298 46 I C -0.734 175.293 176.117 -0.150 0.000 1.304 46 I CA -0.966 60.254 61.300 -0.133 0.000 1.019 46 I CB 2.040 39.885 38.000 -0.259 0.000 1.282 46 I HN 0.785 nan 8.210 nan 0.000 0.432 47 I N 3.237 123.776 120.570 -0.052 0.000 2.566 47 I HA 0.756 4.927 4.170 0.002 0.000 0.303 47 I C -0.123 175.925 176.117 -0.115 0.000 0.983 47 I CA -0.032 61.254 61.300 -0.024 0.000 1.235 47 I CB 1.775 39.825 38.000 0.083 0.000 1.386 47 I HN 0.587 nan 8.210 nan 0.000 0.494 48 S N 2.068 117.673 115.700 -0.157 0.000 2.806 48 S HA 0.397 4.868 4.470 0.002 0.000 0.306 48 S C -0.045 174.467 174.600 -0.146 0.000 1.167 48 S CA -0.852 57.198 58.200 -0.250 0.000 0.847 48 S CB 0.973 64.058 63.200 -0.192 0.000 1.216 48 S HN 0.961 nan 8.310 nan 0.000 0.532 49 N N 0.426 119.037 118.700 -0.147 0.000 2.702 49 N HA -0.207 4.534 4.740 0.002 0.000 0.261 49 N C -0.334 175.113 175.510 -0.106 0.000 0.965 49 N CA 0.648 53.597 53.050 -0.168 0.000 0.795 49 N CB -0.699 37.559 38.487 -0.382 0.000 0.909 49 N HN 0.525 nan 8.380 nan 0.000 0.546 50 K N 0.204 120.598 120.400 -0.010 0.000 2.270 50 K HA 0.313 4.634 4.320 0.002 0.000 0.248 50 K C -0.370 176.268 176.600 0.063 0.000 1.076 50 K CA -0.872 55.438 56.287 0.037 0.000 0.957 50 K CB 0.474 33.049 32.500 0.125 0.000 1.400 50 K HN 0.145 nan 8.250 nan 0.000 0.573 51 K N 0.907 121.350 120.400 0.071 0.000 2.559 51 K HA 0.006 4.327 4.320 0.002 0.000 0.279 51 K C -0.802 175.863 176.600 0.109 0.000 0.967 51 K CA 0.591 56.927 56.287 0.081 0.000 1.000 51 K CB 0.373 32.906 32.500 0.055 0.000 0.890 51 K HN 0.349 nan 8.250 nan 0.000 0.501 52 S N 1.716 117.469 115.700 0.089 0.000 2.586 52 S HA 0.055 4.526 4.470 0.002 0.000 0.274 52 S C -0.302 174.325 174.600 0.044 0.000 1.281 52 S CA -0.665 57.587 58.200 0.086 0.000 1.035 52 S CB 1.325 64.578 63.200 0.087 0.000 0.962 52 S HN 0.599 nan 8.310 nan 0.000 0.512 53 Q N 2.202 122.013 119.800 0.018 0.000 2.279 53 Q HA 0.354 4.696 4.340 0.002 0.000 0.256 53 Q C -2.564 173.416 176.000 -0.033 0.000 0.937 53 Q CA -1.836 53.946 55.803 -0.034 0.000 0.933 53 Q CB 0.377 29.056 28.738 -0.099 0.000 1.189 53 Q HN 0.257 nan 8.270 nan 0.000 0.417 54 P HA 0.121 nan 4.420 nan 0.000 0.265 54 P C 0.059 177.341 177.300 -0.031 0.000 1.193 54 P CA 0.890 63.978 63.100 -0.020 0.000 0.765 54 P CB 0.697 32.386 31.700 -0.017 0.000 0.823 55 G N 2.374 111.166 108.800 -0.014 0.000 2.153 55 G HA2 -0.258 3.703 3.960 0.002 0.000 0.252 55 G HA3 -0.258 3.703 3.960 0.002 0.000 0.252 55 G C 0.404 175.297 174.900 -0.012 0.000 0.994 55 G CA -0.039 45.054 45.100 -0.012 0.000 0.698 55 G HN 0.525 nan 8.290 nan 0.000 0.521 56 L N -0.640 120.577 121.223 -0.010 0.000 2.818 56 L HA 0.485 4.826 4.340 0.002 0.000 0.243 56 L C 1.463 178.366 176.870 0.055 0.000 1.185 56 L CA 0.045 54.888 54.840 0.005 0.000 0.988 56 L CB 0.166 42.190 42.059 -0.058 0.000 1.292 56 L HN 0.405 nan 8.230 nan 0.000 0.519 57 M N 1.170 120.802 119.600 0.053 0.000 2.350 57 M HA -0.175 4.306 4.480 0.002 0.000 0.190 57 M C -0.154 176.200 176.300 0.091 0.000 0.710 57 M CA 0.256 55.597 55.300 0.068 0.000 0.495 57 M CB -0.894 31.749 32.600 0.071 0.000 1.136 57 M HN 0.204 nan 8.290 nan 0.000 0.901 58 T N 1.222 115.832 114.554 0.092 0.000 2.932 58 T HA 0.184 4.536 4.350 0.002 0.000 0.312 58 T C 1.402 176.190 174.700 0.147 0.000 1.071 58 T CA -0.019 62.155 62.100 0.124 0.000 1.128 58 T CB 0.683 69.620 68.868 0.116 0.000 0.984 58 T HN 0.479 nan 8.240 nan 0.000 0.549 59 I N 1.205 121.901 120.570 0.210 0.000 3.427 59 I HA 0.070 4.241 4.170 0.002 0.000 0.288 59 I C 1.457 177.715 176.117 0.235 0.000 1.249 59 I CA 0.223 61.672 61.300 0.248 0.000 1.421 59 I CB 0.046 38.287 38.000 0.402 0.000 1.086 59 I HN 0.401 nan 8.210 nan 0.000 0.448 60 R N 1.507 122.150 120.500 0.239 0.000 2.640 60 R HA 0.158 4.499 4.340 0.002 0.000 0.270 60 R C 0.591 176.984 176.300 0.155 0.000 1.024 60 R CA 0.241 56.477 56.100 0.226 0.000 1.085 60 R CB 0.320 30.751 30.300 0.217 0.000 0.963 60 R HN 0.190 nan 8.270 nan 0.000 0.426 61 G N 0.996 109.877 108.800 0.134 0.000 2.606 61 G HA2 0.381 4.343 3.960 0.002 0.000 0.262 61 G HA3 0.381 4.343 3.960 0.002 0.000 0.262 61 G C -0.201 174.729 174.900 0.051 0.000 1.394 61 G CA -0.590 44.558 45.100 0.080 0.000 1.044 61 G HN 0.827 nan 8.290 nan 0.000 0.553 62 C N -3.120 116.206 119.300 0.044 0.000 2.451 62 C HA 0.813 5.274 4.460 0.002 0.000 0.391 62 C C 2.071 177.054 174.990 -0.012 0.000 1.286 62 C CA 0.104 59.142 59.018 0.034 0.000 1.935 62 C CB 1.181 28.964 27.740 0.073 0.000 2.188 62 C HN 0.975 nan 8.230 nan 0.000 0.523 63 A N -0.695 122.111 122.820 -0.023 0.000 2.067 63 A HA -0.060 4.261 4.320 0.002 0.000 0.219 63 A C 1.850 179.408 177.584 -0.043 0.000 1.158 63 A CA 1.690 53.691 52.037 -0.061 0.000 0.661 63 A CB -1.000 17.948 19.000 -0.087 0.000 0.801 63 A HN 1.148 nan 8.150 nan 0.000 0.452 64 Y N 0.516 120.756 120.300 -0.099 0.000 2.200 64 Y HA -0.011 4.540 4.550 0.002 0.000 0.290 64 Y C 2.503 178.363 175.900 -0.067 0.000 1.137 64 Y CA 1.155 59.206 58.100 -0.082 0.000 1.163 64 Y CB -0.476 37.944 38.460 -0.068 0.000 0.988 64 Y HN 0.279 nan 8.280 nan 0.000 0.518 65 A N 0.370 123.132 122.820 -0.097 0.000 1.933 65 A HA -0.094 4.227 4.320 0.002 0.000 0.218 65 A C 2.429 179.862 177.584 -0.253 0.000 1.175 65 A CA 1.666 53.595 52.037 -0.179 0.000 0.628 65 A CB -1.700 17.278 19.000 -0.037 0.000 0.814 65 A HN 0.612 nan 8.150 nan 0.000 0.444 66 G N -1.431 107.228 108.800 -0.234 0.000 2.443 66 G HA2 -0.065 3.896 3.960 0.002 0.000 0.219 66 G HA3 -0.065 3.896 3.960 0.002 0.000 0.219 66 G C 1.807 176.588 174.900 -0.198 0.000 1.131 66 G CA 1.443 46.389 45.100 -0.257 0.000 0.775 66 G HN 0.535 nan 8.290 nan 0.000 0.547 67 S N -0.099 115.494 115.700 -0.179 0.000 2.357 67 S HA 0.038 4.509 4.470 0.002 0.000 0.209 67 S C 2.247 176.787 174.600 -0.099 0.000 1.023 67 S CA 1.379 59.542 58.200 -0.062 0.000 0.933 67 S CB -0.086 63.091 63.200 -0.038 0.000 0.897 67 S HN 0.281 nan 8.310 nan 0.000 0.529 68 K N 1.104 121.302 120.400 -0.336 0.000 2.026 68 K HA 0.081 4.403 4.320 0.002 0.000 0.208 68 K C 1.909 178.321 176.600 -0.313 0.000 1.048 68 K CA 2.178 58.232 56.287 -0.389 0.000 0.929 68 K CB -1.295 30.757 32.500 -0.746 0.000 0.713 68 K HN 0.343 nan 8.250 nan 0.000 0.439 69 G N 0.007 108.596 108.800 -0.350 0.000 2.402 69 G HA2 -0.151 3.810 3.960 0.002 0.000 0.216 69 G HA3 -0.151 3.810 3.960 0.002 0.000 0.216 69 G C 1.503 176.281 174.900 -0.204 0.000 1.162 69 G CA 1.084 46.053 45.100 -0.219 0.000 0.777 69 G HN 0.347 nan 8.290 nan 0.000 0.539 70 V N -1.484 118.272 119.914 -0.264 0.000 2.806 70 V HA 0.163 4.284 4.120 0.002 0.000 0.239 70 V C 2.438 178.336 176.094 -0.327 0.000 1.113 70 V CA 1.271 63.338 62.300 -0.389 0.000 1.137 70 V CB -0.021 31.474 31.823 -0.547 0.000 0.865 70 V HN 0.077 nan 8.190 nan 0.000 0.482 71 V N -0.504 119.282 119.914 -0.214 0.000 2.326 71 V HA -0.003 4.118 4.120 0.002 0.000 0.238 71 V C 2.252 178.153 176.094 -0.321 0.000 1.038 71 V CA 2.291 64.486 62.300 -0.175 0.000 1.032 71 V CB -0.798 30.888 31.823 -0.228 0.000 0.675 71 V HN 0.632 nan 8.190 nan 0.000 0.467 72 W N 0.834 121.992 121.300 -0.236 0.000 2.413 72 W HA 0.101 4.762 4.660 0.002 0.000 0.315 72 W C 2.643 178.765 176.519 -0.661 0.000 1.186 72 W CA 1.519 58.610 57.345 -0.424 0.000 1.326 72 W CB -1.280 27.884 29.460 -0.494 0.000 1.153 72 W HN 0.309 nan 8.180 nan 0.000 0.489 73 G N 1.578 110.150 108.800 -0.380 0.000 2.663 73 G HA2 -0.328 3.633 3.960 0.002 0.000 0.222 73 G HA3 -0.328 3.633 3.960 0.002 0.000 0.222 73 G C -0.633 174.263 174.900 -0.007 0.000 1.146 73 G CA 1.651 46.613 45.100 -0.229 0.000 0.764 73 G HN 0.177 nan 8.290 nan 0.000 0.608 74 P HA -0.011 nan 4.420 nan 0.000 0.225 74 P C 0.698 178.019 177.300 0.036 0.000 1.148 74 P CA 0.592 63.713 63.100 0.035 0.000 0.779 74 P CB -0.083 31.663 31.700 0.076 0.000 0.780 75 I N 0.873 121.504 120.570 0.101 0.000 2.471 75 I HA 0.021 4.192 4.170 0.002 0.000 0.294 75 I C 2.020 178.224 176.117 0.145 0.000 1.123 75 I CA -0.064 61.304 61.300 0.114 0.000 1.336 75 I CB 0.151 38.238 38.000 0.146 0.000 1.430 75 I HN -0.121 nan 8.210 nan 0.000 0.533 76 K N 4.555 124.958 120.400 0.006 0.000 2.000 76 K HA -0.240 4.082 4.320 0.002 0.000 0.218 76 K C 1.125 177.711 176.600 -0.022 0.000 1.053 76 K CA 2.390 58.624 56.287 -0.088 0.000 0.946 76 K CB 0.068 32.556 32.500 -0.021 0.000 0.723 76 K HN 0.791 nan 8.250 nan 0.000 0.446 77 D N -0.458 119.966 120.400 0.039 0.000 2.370 77 D HA 0.052 4.693 4.640 0.002 0.000 0.230 77 D C 0.174 176.584 176.300 0.183 0.000 1.143 77 D CA 0.258 54.332 54.000 0.122 0.000 0.834 77 D CB -0.028 40.817 40.800 0.074 0.000 0.944 77 D HN 0.170 nan 8.370 nan 0.000 0.504 78 M N 0.133 119.763 119.600 0.049 0.000 2.602 78 M HA 0.443 4.924 4.480 0.002 0.000 0.312 78 M C -0.576 175.385 176.300 -0.566 0.000 1.181 78 M CA -0.908 54.260 55.300 -0.220 0.000 0.910 78 M CB 2.961 35.442 32.600 -0.199 0.000 1.723 78 M HN -0.233 nan 8.290 nan 0.000 0.459 79 I N 2.230 122.310 120.570 -0.817 0.000 2.336 79 I HA 0.271 4.442 4.170 0.002 0.000 0.292 79 I C -0.656 174.930 176.117 -0.885 0.000 0.991 79 I CA -0.682 59.934 61.300 -1.141 0.000 1.227 79 I CB 0.803 37.891 38.000 -1.519 0.000 1.366 79 I HN 0.505 nan 8.210 nan 0.000 0.466 80 H N 6.973 125.821 119.070 -0.369 0.000 2.476 80 H HA 0.434 4.991 4.556 0.002 0.000 0.328 80 H C -0.472 174.777 175.328 -0.132 0.000 1.073 80 H CA -0.668 55.259 56.048 -0.201 0.000 1.229 80 H CB 1.931 31.657 29.762 -0.060 0.000 1.432 80 H HN 0.272 nan 8.280 nan 0.000 0.477 81 I N 2.577 123.123 120.570 -0.040 0.000 2.328 81 I HA 0.088 4.259 4.170 0.002 0.000 0.287 81 I C 0.484 176.640 176.117 0.065 0.000 1.012 81 I CA -0.430 60.874 61.300 0.006 0.000 1.195 81 I CB 0.791 38.745 38.000 -0.076 0.000 1.350 81 I HN 0.312 nan 8.210 nan 0.000 0.464 82 S N 5.494 121.275 115.700 0.134 0.000 2.416 82 S HA 0.098 4.569 4.470 0.002 0.000 0.302 82 S C 0.057 174.706 174.600 0.080 0.000 1.120 82 S CA -0.146 58.148 58.200 0.157 0.000 1.067 82 S CB -0.515 62.800 63.200 0.190 0.000 1.057 82 S HN 0.418 nan 8.310 nan 0.000 0.518 83 H N 2.607 121.625 119.070 -0.087 0.000 2.911 83 H HA 0.586 5.143 4.556 0.002 0.000 0.273 83 H C 0.546 175.625 175.328 -0.416 0.000 1.157 83 H CA 0.856 56.795 56.048 -0.182 0.000 1.402 83 H CB -0.322 29.353 29.762 -0.145 0.000 1.463 83 H HN 0.808 nan 8.280 nan 0.000 0.475 84 G N 4.055 112.454 108.800 -0.669 0.000 2.368 84 G HA2 0.038 3.999 3.960 0.002 0.000 0.269 84 G HA3 0.038 3.999 3.960 0.002 0.000 0.269 84 G C -2.954 171.702 174.900 -0.407 0.000 1.291 84 G CA -1.007 43.531 45.100 -0.937 0.000 0.903 84 G HN 0.392 nan 8.290 nan 0.000 0.483 85 P HA 0.290 nan 4.420 nan 0.000 0.272 85 P C 1.078 178.320 177.300 -0.097 0.000 1.254 85 P CA -0.217 62.846 63.100 -0.062 0.000 0.795 85 P CB 0.981 32.656 31.700 -0.043 0.000 1.022 86 V N 0.832 120.704 119.914 -0.069 0.000 2.871 86 V HA -0.073 4.049 4.120 0.002 0.000 0.256 86 V C 2.044 178.007 176.094 -0.218 0.000 1.082 86 V CA 2.444 64.679 62.300 -0.107 0.000 1.105 86 V CB -1.451 30.329 31.823 -0.071 0.000 0.713 86 V HN 0.732 nan 8.190 nan 0.000 0.473 87 G N -0.206 108.455 108.800 -0.231 0.000 2.628 87 G HA2 -0.349 3.613 3.960 0.002 0.000 0.217 87 G HA3 -0.349 3.613 3.960 0.002 0.000 0.217 87 G C 1.757 176.298 174.900 -0.599 0.000 1.240 87 G CA 1.575 46.416 45.100 -0.431 0.000 0.792 87 G HN 0.567 nan 8.290 nan 0.000 0.593 88 C N 0.977 120.119 119.300 -0.262 0.000 2.385 88 C HA -0.024 4.437 4.460 0.002 0.000 0.275 88 C C 3.242 178.195 174.990 -0.061 0.000 1.207 88 C CA 0.741 59.635 59.018 -0.205 0.000 1.760 88 C CB -1.538 25.778 27.740 -0.706 0.000 2.051 88 C HN 0.558 nan 8.230 nan 0.000 0.467 89 G N -0.708 108.037 108.800 -0.091 0.000 2.422 89 G HA2 -0.208 3.753 3.960 0.002 0.000 0.218 89 G HA3 -0.208 3.753 3.960 0.002 0.000 0.218 89 G C 1.682 176.550 174.900 -0.054 0.000 1.146 89 G CA 0.753 45.864 45.100 0.019 0.000 0.769 89 G HN 0.543 nan 8.290 nan 0.000 0.547 90 Q N -0.069 119.587 119.800 -0.240 0.000 2.016 90 Q HA -0.046 4.295 4.340 0.002 0.000 0.200 90 Q C 2.381 178.303 176.000 -0.130 0.000 0.978 90 Q CA 1.197 56.844 55.803 -0.259 0.000 0.833 90 Q CB -0.493 27.972 28.738 -0.454 0.000 0.895 90 Q HN 0.767 nan 8.270 nan 0.000 0.427 91 Y N 0.528 120.861 120.300 0.055 0.000 2.293 91 Y HA -0.145 4.406 4.550 0.002 0.000 0.291 91 Y C 2.487 178.438 175.900 0.085 0.000 1.137 91 Y CA 0.939 59.077 58.100 0.063 0.000 1.202 91 Y CB -0.028 38.466 38.460 0.057 0.000 0.990 91 Y HN 0.167 nan 8.280 nan 0.000 0.537 92 S N -0.104 115.730 115.700 0.224 0.000 2.575 92 S HA 0.041 4.512 4.470 0.002 0.000 0.215 92 S C 0.805 175.482 174.600 0.128 0.000 0.966 92 S CA -0.448 57.861 58.200 0.181 0.000 0.911 92 S CB -0.103 63.229 63.200 0.220 0.000 0.780 92 S HN 0.166 nan 8.310 nan 0.000 0.514 93 R N 1.743 122.304 120.500 0.102 0.000 2.404 93 R HA 0.301 4.643 4.340 0.002 0.000 0.315 93 R C 0.775 177.135 176.300 0.099 0.000 1.032 93 R CA 0.830 56.981 56.100 0.084 0.000 0.992 93 R CB -0.207 30.120 30.300 0.046 0.000 0.959 93 R HN 0.527 nan 8.270 nan 0.000 0.428 94 A N 3.213 126.101 122.820 0.113 0.000 2.798 94 A HA -0.230 4.091 4.320 0.002 0.000 0.282 94 A C 1.318 178.985 177.584 0.140 0.000 1.464 94 A CA 1.342 53.459 52.037 0.134 0.000 0.844 94 A CB -1.952 17.123 19.000 0.126 0.000 1.006 94 A HN 0.946 nan 8.150 nan 0.000 0.577 95 G N -1.243 107.634 108.800 0.128 0.000 2.430 95 G HA2 0.159 4.121 3.960 0.002 0.000 0.216 95 G HA3 0.159 4.121 3.960 0.002 0.000 0.216 95 G C 0.751 175.725 174.900 0.124 0.000 1.146 95 G CA 0.867 46.046 45.100 0.132 0.000 0.793 95 G HN 0.748 nan 8.290 nan 0.000 0.537 96 R N 0.296 120.855 120.500 0.099 0.000 2.460 96 R HA 0.418 4.759 4.340 0.002 0.000 0.303 96 R C -0.216 176.148 176.300 0.107 0.000 0.968 96 R CA -0.684 55.455 56.100 0.064 0.000 0.889 96 R CB 0.767 31.075 30.300 0.012 0.000 1.123 96 R HN 0.017 nan 8.270 nan 0.000 0.455 97 R N 3.540 124.081 120.500 0.068 0.000 4.071 97 R HA 0.123 4.464 4.340 0.002 0.000 0.220 97 R C -0.580 175.739 176.300 0.032 0.000 1.614 97 R CA -0.326 55.848 56.100 0.124 0.000 1.505 97 R CB -0.189 30.131 30.300 0.033 0.000 1.384 97 R HN 0.484 nan 8.270 nan 0.000 0.758 98 N N 2.321 121.115 118.700 0.158 0.000 2.555 98 N HA 0.005 4.746 4.740 0.002 0.000 0.244 98 N C -0.504 175.199 175.510 0.323 0.000 1.114 98 N CA -0.132 53.001 53.050 0.138 0.000 0.963 98 N CB 0.296 38.856 38.487 0.122 0.000 1.276 98 N HN 0.314 nan 8.380 nan 0.000 0.510 99 Y N 1.845 122.127 120.300 -0.031 0.000 2.480 99 Y HA 0.045 4.596 4.550 0.002 0.000 0.338 99 Y C 0.268 176.207 175.900 0.066 0.000 1.220 99 Y CA -0.754 57.328 58.100 -0.030 0.000 1.430 99 Y CB 0.522 38.836 38.460 -0.243 0.000 1.311 99 Y HN 0.503 nan 8.280 nan 0.000 0.575 100 Y N 0.306 120.741 120.300 0.225 0.000 2.609 100 Y HA 0.616 5.168 4.550 0.002 0.000 0.336 100 Y C -1.838 174.258 175.900 0.327 0.000 1.129 100 Y CA -1.731 56.562 58.100 0.321 0.000 1.040 100 Y CB 0.920 39.486 38.460 0.176 0.000 1.310 100 Y HN 0.186 nan 8.280 nan 0.000 0.460 101 I N 2.717 123.512 120.570 0.375 0.000 2.339 101 I HA 0.811 4.982 4.170 0.002 0.000 0.290 101 I C 0.354 176.584 176.117 0.188 0.000 0.994 101 I CA -0.247 61.129 61.300 0.128 0.000 1.191 101 I CB 0.582 38.621 38.000 0.066 0.000 1.343 101 I HN 0.996 nan 8.210 nan 0.000 0.458 102 G N 4.242 113.092 108.800 0.083 0.000 2.342 102 G HA2 0.380 4.341 3.960 0.002 0.000 0.297 102 G HA3 0.380 4.341 3.960 0.002 0.000 0.297 102 G C -1.480 173.447 174.900 0.045 0.000 1.313 102 G CA -0.490 44.681 45.100 0.118 0.000 0.830 102 G HN 0.320 nan 8.290 nan 0.000 0.506 103 T N 1.751 116.315 114.554 0.018 0.000 2.947 103 T HA 0.516 4.867 4.350 0.002 0.000 0.337 103 T C 0.211 174.898 174.700 -0.023 0.000 1.139 103 T CA -0.214 61.885 62.100 -0.001 0.000 0.992 103 T CB 0.790 69.653 68.868 -0.008 0.000 1.043 103 T HN 0.573 nan 8.240 nan 0.000 0.498 104 T N 2.479 117.059 114.554 0.044 0.000 2.928 104 T HA 0.403 4.754 4.350 0.002 0.000 0.305 104 T C 1.573 176.314 174.700 0.069 0.000 1.035 104 T CA 0.936 63.068 62.100 0.053 0.000 1.145 104 T CB 0.536 69.505 68.868 0.169 0.000 0.963 104 T HN 0.940 nan 8.240 nan 0.000 0.545 105 G N 1.774 110.644 108.800 0.117 0.000 2.225 105 G HA2 -0.285 3.676 3.960 0.002 0.000 0.254 105 G HA3 -0.285 3.676 3.960 0.002 0.000 0.254 105 G C 0.734 175.909 174.900 0.458 0.000 0.988 105 G CA 0.371 45.709 45.100 0.398 0.000 0.625 105 G HN 0.622 nan 8.290 nan 0.000 0.527 106 V N 0.643 120.641 119.914 0.140 0.000 2.939 106 V HA 0.195 4.316 4.120 0.002 0.000 0.228 106 V C 1.955 178.067 176.094 0.030 0.000 1.162 106 V CA 2.224 64.614 62.300 0.150 0.000 1.222 106 V CB 0.149 32.013 31.823 0.070 0.000 1.053 106 V HN 0.649 nan 8.190 nan 0.000 0.504 107 N N 0.175 118.743 118.700 -0.221 0.000 2.273 107 N HA 0.378 5.120 4.740 0.002 0.000 0.192 107 N C 0.146 175.238 175.510 -0.697 0.000 1.132 107 N CA 0.619 53.512 53.050 -0.262 0.000 0.887 107 N CB 0.696 39.141 38.487 -0.071 0.000 1.048 107 N HN 0.447 nan 8.380 nan 0.000 0.490 108 A N -0.247 122.054 122.820 -0.866 0.000 2.356 108 A HA 0.694 5.015 4.320 0.002 0.000 0.323 108 A C -1.145 175.850 177.584 -0.982 0.000 1.119 108 A CA -0.700 50.908 52.037 -0.715 0.000 0.790 108 A CB 0.735 19.684 19.000 -0.085 0.000 1.273 108 A HN 0.308 nan 8.150 nan 0.000 0.452 109 F N 0.951 120.862 119.950 -0.065 0.000 2.993 109 F HA 0.135 4.663 4.527 0.002 0.000 0.338 109 F C 1.354 177.148 175.800 -0.010 0.000 1.199 109 F CA -0.091 57.922 58.000 0.021 0.000 1.069 109 F CB 0.168 39.187 39.000 0.031 0.000 1.294 109 F HN 0.326 nan 8.300 nan 0.000 0.513 110 V N 0.443 120.259 119.914 -0.162 0.000 2.324 110 V HA -0.296 3.825 4.120 0.002 0.000 0.250 110 V C 2.409 178.557 176.094 0.090 0.000 1.060 110 V CA 2.804 65.022 62.300 -0.136 0.000 1.042 110 V CB -0.885 30.547 31.823 -0.652 0.000 0.650 110 V HN 0.593 nan 8.190 nan 0.000 0.450 111 T N -3.178 111.479 114.554 0.172 0.000 3.169 111 T HA 0.277 4.628 4.350 0.002 0.000 0.250 111 T C 0.453 175.223 174.700 0.116 0.000 1.111 111 T CA 0.058 62.269 62.100 0.185 0.000 1.010 111 T CB -0.250 68.758 68.868 0.234 0.000 0.984 111 T HN 0.295 nan 8.240 nan 0.000 0.537 112 M N 1.905 121.565 119.600 0.100 0.000 2.368 112 M HA 0.431 4.912 4.480 0.002 0.000 0.311 112 M C -0.098 176.153 176.300 -0.083 0.000 1.168 112 M CA -0.865 54.396 55.300 -0.064 0.000 1.044 112 M CB 0.822 33.277 32.600 -0.242 0.000 1.506 112 M HN -0.070 nan 8.290 nan 0.000 0.475 113 N N 1.518 120.078 118.700 -0.233 0.000 2.564 113 N HA 0.374 5.115 4.740 0.002 0.000 0.248 113 N C -2.102 173.261 175.510 -0.244 0.000 0.986 113 N CA -0.231 52.745 53.050 -0.123 0.000 0.921 113 N CB 0.299 38.743 38.487 -0.072 0.000 1.136 113 N HN 0.383 nan 8.380 nan 0.000 0.509 114 F N 1.287 121.207 119.950 -0.049 0.000 2.405 114 F HA 0.439 4.967 4.527 0.002 0.000 0.355 114 F C 1.161 176.947 175.800 -0.024 0.000 1.121 114 F CA -0.413 57.543 58.000 -0.072 0.000 1.112 114 F CB 1.867 40.772 39.000 -0.158 0.000 1.126 114 F HN 0.155 nan 8.300 nan 0.000 0.481 115 T N 0.285 114.924 114.554 0.141 0.000 2.900 115 T HA 0.315 4.666 4.350 0.002 0.000 0.303 115 T C 0.543 175.323 174.700 0.132 0.000 1.142 115 T CA -0.403 61.762 62.100 0.109 0.000 1.007 115 T CB 1.334 70.229 68.868 0.045 0.000 1.156 115 T HN 0.563 nan 8.240 nan 0.000 0.490 116 S N 1.975 117.784 115.700 0.181 0.000 2.558 116 S HA 0.128 4.599 4.470 0.002 0.000 0.217 116 S C 0.596 175.363 174.600 0.278 0.000 0.975 116 S CA 0.659 59.024 58.200 0.274 0.000 0.912 116 S CB -0.468 63.048 63.200 0.526 0.000 0.776 116 S HN 0.928 nan 8.310 nan 0.000 0.526 117 D N 1.168 121.680 120.400 0.188 0.000 2.886 117 D HA -0.214 4.427 4.640 0.002 0.000 0.221 117 D C -0.854 175.577 176.300 0.219 0.000 1.227 117 D CA 0.304 54.391 54.000 0.145 0.000 0.746 117 D CB -2.095 38.747 40.800 0.071 0.000 0.935 117 D HN 0.560 nan 8.370 nan 0.000 0.399 118 F N 0.955 120.872 119.950 -0.056 0.000 2.623 118 F HA -0.003 4.525 4.527 0.002 0.000 0.383 118 F C 1.728 177.497 175.800 -0.051 0.000 1.077 118 F CA 0.023 57.985 58.000 -0.062 0.000 1.268 118 F CB 0.455 39.401 39.000 -0.091 0.000 1.053 118 F HN 0.141 nan 8.300 nan 0.000 0.571 119 Q N 2.282 122.062 119.800 -0.033 0.000 2.385 119 Q HA 0.142 4.484 4.340 0.002 0.000 0.262 119 Q C 1.002 176.958 176.000 -0.073 0.000 1.050 119 Q CA -0.598 55.176 55.803 -0.047 0.000 0.903 119 Q CB 0.841 29.529 28.738 -0.084 0.000 1.325 119 Q HN 0.660 nan 8.270 nan 0.000 0.485 120 E N 0.641 120.807 120.200 -0.056 0.000 2.153 120 E HA -0.190 4.161 4.350 0.002 0.000 0.194 120 E C 1.394 177.939 176.600 -0.091 0.000 0.988 120 E CA 1.296 57.669 56.400 -0.046 0.000 0.811 120 E CB 0.250 29.933 29.700 -0.029 0.000 0.746 120 E HN 0.487 nan 8.360 nan 0.000 0.466 121 K N 0.208 120.506 120.400 -0.170 0.000 2.147 121 K HA -0.165 4.156 4.320 0.002 0.000 0.205 121 K C 1.210 177.643 176.600 -0.278 0.000 1.049 121 K CA 1.618 57.735 56.287 -0.283 0.000 0.936 121 K CB -0.008 32.258 32.500 -0.389 0.000 0.722 121 K HN 0.039 nan 8.250 nan 0.000 0.446 122 D N 1.362 121.559 120.400 -0.337 0.000 2.183 122 D HA -0.051 4.591 4.640 0.002 0.000 0.203 122 D C 2.075 178.185 176.300 -0.315 0.000 0.969 122 D CA 0.707 54.395 54.000 -0.520 0.000 0.842 122 D CB 0.011 40.095 40.800 -1.193 0.000 0.957 122 D HN 0.178 nan 8.370 nan 0.000 0.484 123 I N 0.928 121.428 120.570 -0.118 0.000 2.252 123 I HA -0.158 4.013 4.170 0.002 0.000 0.245 123 I C 2.475 178.643 176.117 0.086 0.000 1.102 123 I CA 0.675 62.021 61.300 0.076 0.000 1.385 123 I CB -0.775 37.281 38.000 0.095 0.000 1.064 123 I HN -0.098 nan 8.210 nan 0.000 0.414 124 V N -0.069 119.905 119.914 0.099 0.000 2.379 124 V HA -0.195 3.926 4.120 0.002 0.000 0.245 124 V C 2.141 178.404 176.094 0.281 0.000 1.044 124 V CA 1.682 64.094 62.300 0.186 0.000 1.036 124 V CB -0.509 31.454 31.823 0.234 0.000 0.664 124 V HN 0.230 nan 8.190 nan 0.000 0.453 125 F N -0.220 119.698 119.950 -0.053 0.000 2.714 125 F HA 0.491 5.019 4.527 0.002 0.000 0.294 125 F C 1.271 177.051 175.800 -0.034 0.000 1.120 125 F CA 0.512 58.485 58.000 -0.045 0.000 1.398 125 F CB 0.610 39.575 39.000 -0.058 0.000 1.120 125 F HN 0.331 nan 8.300 nan 0.000 0.589 126 G N 0.145 109.030 108.800 0.142 0.000 2.784 126 G HA2 0.003 3.964 3.960 0.002 0.000 0.686 126 G HA3 0.003 3.964 3.960 0.002 0.000 0.686 126 G C 0.290 175.222 174.900 0.053 0.000 1.156 126 G CA -0.615 44.550 45.100 0.109 0.000 0.757 126 G HN 0.339 nan 8.290 nan 0.000 0.642 127 G N -0.480 108.401 108.800 0.134 0.000 3.434 127 G HA2 0.396 4.357 3.960 0.002 0.000 0.258 127 G HA3 0.396 4.357 3.960 0.002 0.000 0.258 127 G C 0.763 175.816 174.900 0.255 0.000 1.128 127 G CA 1.094 46.274 45.100 0.133 0.000 0.792 127 G HN 0.599 nan 8.290 nan 0.000 0.539 128 D N 1.055 121.559 120.400 0.173 0.000 2.194 128 D HA -0.010 4.631 4.640 0.002 0.000 0.204 128 D C 2.222 178.560 176.300 0.064 0.000 0.964 128 D CA 0.742 54.813 54.000 0.118 0.000 0.846 128 D CB 0.248 41.100 40.800 0.087 0.000 0.962 128 D HN 0.284 nan 8.370 nan 0.000 0.490 129 K N 0.623 121.055 120.400 0.054 0.000 2.103 129 K HA -0.032 4.289 4.320 0.002 0.000 0.204 129 K C 2.034 178.647 176.600 0.023 0.000 1.052 129 K CA 0.557 56.862 56.287 0.031 0.000 0.945 129 K CB 0.156 32.675 32.500 0.031 0.000 0.722 129 K HN -0.045 nan 8.250 nan 0.000 0.443 130 K N 1.003 121.418 120.400 0.026 0.000 2.097 130 K HA -0.146 4.175 4.320 0.002 0.000 0.206 130 K C 2.080 178.716 176.600 0.060 0.000 1.049 130 K CA 0.877 57.179 56.287 0.025 0.000 0.933 130 K CB -0.025 32.469 32.500 -0.010 0.000 0.717 130 K HN -0.001 nan 8.250 nan 0.000 0.442 131 L N 0.952 122.224 121.223 0.082 0.000 2.056 131 L HA -0.080 4.261 4.340 0.002 0.000 0.207 131 L C 2.175 179.019 176.870 -0.044 0.000 1.078 131 L CA 2.012 56.846 54.840 -0.010 0.000 0.749 131 L CB -0.747 41.238 42.059 -0.123 0.000 0.901 131 L HN 0.189 nan 8.230 nan 0.000 0.433 132 A N -0.473 122.332 122.820 -0.025 0.000 1.908 132 A HA -0.296 4.026 4.320 0.002 0.000 0.218 132 A C 2.418 179.989 177.584 -0.021 0.000 1.181 132 A CA 2.136 54.156 52.037 -0.029 0.000 0.627 132 A CB -0.619 18.373 19.000 -0.014 0.000 0.818 132 A HN 0.484 nan 8.150 nan 0.000 0.445 133 K N -0.367 120.029 120.400 -0.007 0.000 2.155 133 K HA 0.050 4.372 4.320 0.002 0.000 0.203 133 K C 1.848 178.449 176.600 0.002 0.000 1.052 133 K CA 1.111 57.397 56.287 -0.003 0.000 0.948 133 K CB -0.356 32.145 32.500 0.001 0.000 0.728 133 K HN 0.429 nan 8.250 nan 0.000 0.448 134 L N 0.581 121.808 121.223 0.006 0.000 2.046 134 L HA -0.115 4.226 4.340 0.002 0.000 0.208 134 L C 1.982 178.847 176.870 -0.008 0.000 1.077 134 L CA 1.359 56.209 54.840 0.017 0.000 0.747 134 L CB -0.164 41.910 42.059 0.025 0.000 0.896 134 L HN 0.244 nan 8.230 nan 0.000 0.432 135 I N -0.077 120.467 120.570 -0.044 0.000 2.226 135 I HA -0.300 3.871 4.170 0.002 0.000 0.245 135 I C 2.033 178.126 176.117 -0.040 0.000 1.100 135 I CA 1.298 62.557 61.300 -0.068 0.000 1.374 135 I CB -0.521 37.426 38.000 -0.088 0.000 1.057 135 I HN 0.328 nan 8.210 nan 0.000 0.413 136 D N 0.732 121.118 120.400 -0.023 0.000 2.117 136 D HA -0.175 4.466 4.640 0.002 0.000 0.197 136 D C 2.075 178.375 176.300 0.001 0.000 0.987 136 D CA 1.231 55.223 54.000 -0.013 0.000 0.829 136 D CB -0.194 40.600 40.800 -0.010 0.000 0.961 136 D HN 0.428 nan 8.370 nan 0.000 0.460 137 E N 0.331 120.541 120.200 0.016 0.000 2.077 137 E HA -0.120 4.232 4.350 0.002 0.000 0.193 137 E C 2.326 178.974 176.600 0.080 0.000 0.989 137 E CA 0.521 56.944 56.400 0.038 0.000 0.800 137 E CB 0.100 29.834 29.700 0.055 0.000 0.746 137 E HN 0.034 nan 8.360 nan 0.000 0.452 138 V N 1.760 121.734 119.914 0.099 0.000 2.287 138 V HA -0.257 3.865 4.120 0.002 0.000 0.248 138 V C 2.202 178.368 176.094 0.119 0.000 1.053 138 V CA 1.772 64.170 62.300 0.163 0.000 1.027 138 V CB -0.389 31.410 31.823 -0.039 0.000 0.646 138 V HN 0.232 nan 8.190 nan 0.000 0.447 139 E N 0.223 120.438 120.200 0.024 0.000 2.150 139 E HA -0.167 4.185 4.350 0.002 0.000 0.193 139 E C 2.450 179.051 176.600 0.003 0.000 0.985 139 E CA 1.821 58.226 56.400 0.007 0.000 0.814 139 E CB -0.454 29.238 29.700 -0.012 0.000 0.752 139 E HN 0.825 nan 8.360 nan 0.000 0.466 140 T N -1.608 112.938 114.554 -0.013 0.000 2.978 140 T HA 0.033 4.385 4.350 0.002 0.000 0.262 140 T C 2.063 176.703 174.700 -0.100 0.000 1.063 140 T CA 0.402 62.478 62.100 -0.041 0.000 1.140 140 T CB -0.178 68.668 68.868 -0.038 0.000 0.886 140 T HN 0.045 nan 8.240 nan 0.000 0.470 141 L N -1.185 119.933 121.223 -0.174 0.000 2.354 141 L HA 0.402 4.743 4.340 0.002 0.000 0.212 141 L C 0.129 176.542 176.870 -0.762 0.000 1.091 141 L CA 0.322 54.871 54.840 -0.486 0.000 0.828 141 L CB 0.132 41.806 42.059 -0.641 0.000 0.973 141 L HN 0.200 nan 8.230 nan 0.000 0.461 142 F N -0.729 119.247 119.950 0.044 0.000 2.550 142 F HA 0.331 4.859 4.527 0.002 0.000 0.348 142 F C -1.856 173.968 175.800 0.040 0.000 1.219 142 F CA -1.769 56.277 58.000 0.076 0.000 1.203 142 F CB 0.423 39.406 39.000 -0.028 0.000 1.436 142 F HN -0.199 nan 8.300 nan 0.000 0.541 143 P HA -0.131 nan 4.420 nan 0.000 0.218 143 P C 1.495 178.865 177.300 0.117 0.000 1.149 143 P CA 0.963 64.116 63.100 0.088 0.000 0.817 143 P CB 0.361 32.093 31.700 0.052 0.000 0.785 144 L N -0.626 120.710 121.223 0.189 0.000 2.610 144 L HA 0.028 4.370 4.340 0.002 0.000 0.232 144 L C 0.732 177.756 176.870 0.258 0.000 1.149 144 L CA 0.266 55.225 54.840 0.197 0.000 0.872 144 L CB -2.011 40.164 42.059 0.193 0.000 0.992 144 L HN 0.059 nan 8.230 nan 0.000 0.447 145 N N -0.900 117.950 118.700 0.250 0.000 2.492 145 N HA -0.008 4.733 4.740 0.002 0.000 0.260 145 N C 0.515 176.065 175.510 0.067 0.000 1.215 145 N CA 0.108 53.255 53.050 0.160 0.000 0.923 145 N CB 0.471 38.825 38.487 -0.221 0.000 1.092 145 N HN -0.080 nan 8.380 nan 0.000 0.448 146 K N 0.641 121.079 120.400 0.063 0.000 2.372 146 K HA 0.270 4.591 4.320 0.002 0.000 0.200 146 K C 0.163 176.760 176.600 -0.006 0.000 1.022 146 K CA -0.078 56.228 56.287 0.033 0.000 1.125 146 K CB 0.436 32.965 32.500 0.048 0.000 0.855 146 K HN 0.812 nan 8.250 nan 0.000 0.524 147 G N 0.837 109.601 108.800 -0.060 0.000 2.325 147 G HA2 0.360 4.321 3.960 0.002 0.000 0.297 147 G HA3 0.360 4.321 3.960 0.002 0.000 0.297 147 G C -1.795 172.987 174.900 -0.197 0.000 1.448 147 G CA -0.932 44.114 45.100 -0.089 0.000 0.838 147 G HN 0.016 nan 8.290 nan 0.000 0.579 148 I N 0.625 121.065 120.570 -0.217 0.000 2.569 148 I HA 0.486 4.657 4.170 0.002 0.000 0.290 148 I C -0.103 175.831 176.117 -0.306 0.000 1.088 148 I CA -0.734 60.379 61.300 -0.311 0.000 1.047 148 I CB 2.482 40.302 38.000 -0.300 0.000 1.237 148 I HN 0.440 nan 8.210 nan 0.000 0.421 149 S N 4.190 119.704 115.700 -0.310 0.000 2.578 149 S HA 0.603 5.074 4.470 0.002 0.000 0.301 149 S C -0.698 173.693 174.600 -0.347 0.000 1.091 149 S CA -0.696 57.256 58.200 -0.414 0.000 1.032 149 S CB 2.557 65.485 63.200 -0.454 0.000 1.064 149 S HN 0.453 nan 8.310 nan 0.000 0.508 150 V N 3.281 122.954 119.914 -0.402 0.000 2.357 150 V HA 0.365 4.487 4.120 0.002 0.000 0.281 150 V C -1.202 174.735 176.094 -0.262 0.000 1.015 150 V CA -0.577 61.544 62.300 -0.298 0.000 0.827 150 V CB 1.281 32.895 31.823 -0.349 0.000 1.018 150 V HN 0.807 nan 8.190 nan 0.000 0.432 151 Q N 4.192 123.897 119.800 -0.159 0.000 2.369 151 Q HA 0.351 4.693 4.340 0.002 0.000 0.247 151 Q C 0.288 176.313 176.000 0.042 0.000 1.083 151 Q CA 0.144 55.901 55.803 -0.078 0.000 0.905 151 Q CB 1.204 29.940 28.738 -0.003 0.000 1.305 151 Q HN 0.782 nan 8.270 nan 0.000 0.465 152 S N 2.861 118.559 115.700 -0.002 0.000 2.510 152 S HA 0.084 4.555 4.470 0.002 0.000 0.279 152 S C 0.399 174.987 174.600 -0.020 0.000 1.284 152 S CA -0.212 57.984 58.200 -0.007 0.000 1.059 152 S CB 0.762 63.942 63.200 -0.033 0.000 0.901 152 S HN 0.385 nan 8.310 nan 0.000 0.491 153 E N 1.091 121.207 120.200 -0.140 0.000 2.322 153 E HA 0.178 4.529 4.350 0.002 0.000 0.257 153 E C 0.987 177.504 176.600 -0.137 0.000 1.155 153 E CA -0.818 55.447 56.400 -0.226 0.000 0.936 153 E CB 0.414 29.887 29.700 -0.378 0.000 1.130 153 E HN 0.649 nan 8.360 nan 0.000 0.465 154 C N 1.056 120.326 119.300 -0.051 0.000 2.363 154 C HA -0.174 4.288 4.460 0.002 0.000 0.274 154 C C -0.413 174.693 174.990 0.192 0.000 1.183 154 C CA 0.921 60.051 59.018 0.187 0.000 1.771 154 C CB -1.982 25.892 27.740 0.224 0.000 2.059 154 C HN 0.724 nan 8.230 nan 0.000 0.455 155 P HA -0.114 nan 4.420 nan 0.000 0.216 155 P C 1.559 178.865 177.300 0.010 0.000 1.150 155 P CA 1.367 64.459 63.100 -0.013 0.000 0.843 155 P CB -0.295 31.355 31.700 -0.084 0.000 0.787 156 I N -0.479 120.047 120.570 -0.074 0.000 2.113 156 I HA -0.203 3.968 4.170 0.002 0.000 0.242 156 I C 2.443 178.614 176.117 0.089 0.000 1.064 156 I CA 2.365 63.649 61.300 -0.027 0.000 1.320 156 I CB -2.315 35.638 38.000 -0.079 0.000 1.028 156 I HN 0.040 nan 8.210 nan 0.000 0.406 157 G N 0.685 109.587 108.800 0.171 0.000 2.394 157 G HA2 -0.115 3.846 3.960 0.002 0.000 0.215 157 G HA3 -0.115 3.846 3.960 0.002 0.000 0.215 157 G C 1.866 176.876 174.900 0.185 0.000 1.165 157 G CA 0.313 45.561 45.100 0.247 0.000 0.784 157 G HN 0.341 nan 8.290 nan 0.000 0.535 158 L N 0.833 122.127 121.223 0.118 0.000 2.046 158 L HA 0.014 4.355 4.340 0.002 0.000 0.208 158 L C 2.658 179.529 176.870 0.003 0.000 1.077 158 L CA 1.045 55.858 54.840 -0.045 0.000 0.747 158 L CB -0.403 41.576 42.059 -0.134 0.000 0.896 158 L HN 0.413 nan 8.230 nan 0.000 0.432 159 I N -2.688 117.910 120.570 0.046 0.000 3.684 159 I HA 0.296 4.468 4.170 0.002 0.000 0.304 159 I C 1.081 177.234 176.117 0.060 0.000 1.278 159 I CA 0.406 61.739 61.300 0.056 0.000 1.272 159 I CB -0.581 37.477 38.000 0.097 0.000 1.029 159 I HN 0.224 nan 8.210 nan 0.000 0.458 160 G N 1.909 110.746 108.800 0.063 0.000 2.298 160 G HA2 -0.227 3.734 3.960 0.002 0.000 0.287 160 G HA3 -0.227 3.734 3.960 0.002 0.000 0.287 160 G C -0.526 174.417 174.900 0.072 0.000 1.075 160 G CA 0.145 45.282 45.100 0.061 0.000 0.960 160 G HN 0.523 nan 8.290 nan 0.000 0.502 161 D N -0.259 120.197 120.400 0.094 0.000 2.313 161 D HA 0.475 5.116 4.640 0.002 0.000 0.247 161 D C 0.049 176.399 176.300 0.084 0.000 1.094 161 D CA -0.124 53.941 54.000 0.107 0.000 0.925 161 D CB 1.252 42.152 40.800 0.165 0.000 1.188 161 D HN 0.185 nan 8.370 nan 0.000 0.430 162 D N 0.564 121.006 120.400 0.071 0.000 2.458 162 D HA 0.188 4.829 4.640 0.002 0.000 0.258 162 D C 1.263 177.580 176.300 0.028 0.000 1.134 162 D CA -0.341 53.688 54.000 0.048 0.000 0.915 162 D CB 0.120 40.946 40.800 0.043 0.000 1.028 162 D HN 0.350 nan 8.370 nan 0.000 0.508 163 I N -0.781 119.796 120.570 0.011 0.000 2.830 163 I HA 0.013 4.184 4.170 0.002 0.000 0.263 163 I C 1.293 177.342 176.117 -0.114 0.000 1.230 163 I CA 0.635 61.899 61.300 -0.059 0.000 1.480 163 I CB 0.121 38.069 38.000 -0.088 0.000 1.095 163 I HN 0.058 nan 8.210 nan 0.000 0.455 164 E N 1.809 121.972 120.200 -0.062 0.000 2.072 164 E HA -0.120 4.231 4.350 0.002 0.000 0.191 164 E C 2.374 178.985 176.600 0.018 0.000 0.985 164 E CA 1.656 58.037 56.400 -0.031 0.000 0.801 164 E CB -0.199 29.569 29.700 0.112 0.000 0.750 164 E HN 0.490 nan 8.360 nan 0.000 0.452 165 S N -0.072 115.645 115.700 0.028 0.000 2.359 165 S HA -0.157 4.314 4.470 0.002 0.000 0.224 165 S C 2.143 176.746 174.600 0.004 0.000 1.035 165 S CA 1.292 59.511 58.200 0.033 0.000 1.018 165 S CB -0.365 62.852 63.200 0.029 0.000 0.876 165 S HN 0.069 nan 8.310 nan 0.000 0.448 166 V N 1.822 121.719 119.914 -0.028 0.000 2.295 166 V HA -0.167 3.954 4.120 0.002 0.000 0.246 166 V C 2.424 178.468 176.094 -0.084 0.000 1.049 166 V CA 1.960 64.228 62.300 -0.052 0.000 1.024 166 V CB -1.090 30.690 31.823 -0.072 0.000 0.648 166 V HN 0.424 nan 8.190 nan 0.000 0.447 167 S N -0.501 115.113 115.700 -0.143 0.000 2.383 167 S HA -0.232 4.240 4.470 0.002 0.000 0.229 167 S C 1.998 176.554 174.600 -0.074 0.000 1.030 167 S CA 1.682 59.760 58.200 -0.202 0.000 1.002 167 S CB -0.258 62.676 63.200 -0.444 0.000 0.829 167 S HN 0.604 nan 8.310 nan 0.000 0.467 168 K N 0.431 120.850 120.400 0.031 0.000 2.076 168 K HA 0.058 4.379 4.320 0.002 0.000 0.204 168 K C 2.079 178.717 176.600 0.062 0.000 1.051 168 K CA 0.862 57.224 56.287 0.125 0.000 0.949 168 K CB -0.221 32.381 32.500 0.169 0.000 0.726 168 K HN 0.122 nan 8.250 nan 0.000 0.443 169 V N 1.860 121.793 119.914 0.032 0.000 2.270 169 V HA -0.212 3.909 4.120 0.002 0.000 0.245 169 V C 2.153 178.249 176.094 0.005 0.000 1.043 169 V CA 1.553 63.864 62.300 0.018 0.000 1.014 169 V CB -0.299 31.531 31.823 0.012 0.000 0.645 169 V HN 0.210 nan 8.190 nan 0.000 0.447 170 K N 0.558 120.949 120.400 -0.014 0.000 2.057 170 K HA -0.086 4.235 4.320 0.002 0.000 0.207 170 K C 2.241 178.827 176.600 -0.023 0.000 1.049 170 K CA 1.516 57.787 56.287 -0.027 0.000 0.931 170 K CB -0.994 31.473 32.500 -0.054 0.000 0.714 170 K HN 0.538 nan 8.250 nan 0.000 0.440 171 G N 0.974 109.764 108.800 -0.017 0.000 2.422 171 G HA2 -0.226 3.735 3.960 0.002 0.000 0.218 171 G HA3 -0.226 3.735 3.960 0.002 0.000 0.218 171 G C 1.660 176.573 174.900 0.021 0.000 1.146 171 G CA 1.136 46.237 45.100 0.001 0.000 0.769 171 G HN 0.378 nan 8.290 nan 0.000 0.547 172 A N 0.594 123.431 122.820 0.029 0.000 1.872 172 A HA 0.059 4.380 4.320 0.002 0.000 0.214 172 A C 2.134 179.728 177.584 0.016 0.000 1.187 172 A CA 1.809 53.862 52.037 0.028 0.000 0.614 172 A CB -0.477 18.542 19.000 0.031 0.000 0.826 172 A HN 0.425 nan 8.150 nan 0.000 0.442 173 E N -0.121 120.085 120.200 0.009 0.000 2.130 173 E HA -0.179 4.172 4.350 0.002 0.000 0.196 173 E C 1.375 177.976 176.600 0.001 0.000 0.998 173 E CA 1.374 57.776 56.400 0.004 0.000 0.806 173 E CB -0.136 29.563 29.700 -0.001 0.000 0.738 173 E HN 0.620 nan 8.360 nan 0.000 0.459 174 L N -0.194 121.028 121.223 -0.003 0.000 2.693 174 L HA 0.175 4.517 4.340 0.002 0.000 0.235 174 L C 0.693 177.563 176.870 0.000 0.000 1.127 174 L CA -0.191 54.646 54.840 -0.005 0.000 0.914 174 L CB 0.529 42.578 42.059 -0.017 0.000 1.193 174 L HN -0.104 nan 8.230 nan 0.000 0.502 175 S N 0.824 116.528 115.700 0.007 0.000 3.549 175 S HA -0.199 4.272 4.470 0.002 0.000 0.366 175 S C 0.194 174.802 174.600 0.013 0.000 1.012 175 S CA 0.936 59.145 58.200 0.014 0.000 1.141 175 S CB -0.963 62.246 63.200 0.015 0.000 0.910 175 S HN 0.420 nan 8.310 nan 0.000 0.471 176 K N 0.962 121.365 120.400 0.005 0.000 2.375 176 K HA 0.550 4.871 4.320 0.002 0.000 0.249 176 K C -0.386 176.214 176.600 -0.000 0.000 0.942 176 K CA -0.442 55.842 56.287 -0.005 0.000 0.806 176 K CB 1.297 33.780 32.500 -0.028 0.000 1.227 176 K HN -0.012 nan 8.250 nan 0.000 0.430 177 T N 4.261 118.818 114.554 0.005 0.000 2.752 177 T HA 0.346 4.697 4.350 0.002 0.000 0.295 177 T C -0.000 174.667 174.700 -0.054 0.000 0.923 177 T CA 0.079 62.192 62.100 0.021 0.000 1.112 177 T CB -0.365 68.532 68.868 0.050 0.000 0.884 177 T HN 0.346 nan 8.240 nan 0.000 0.525 178 I N 4.035 124.549 120.570 -0.094 0.000 2.420 178 I HA 0.266 4.437 4.170 0.002 0.000 0.282 178 I C -0.318 175.553 176.117 -0.409 0.000 1.019 178 I CA -0.956 60.205 61.300 -0.232 0.000 1.130 178 I CB 1.648 39.516 38.000 -0.219 0.000 1.262 178 I HN 0.280 nan 8.210 nan 0.000 0.454 179 V N 8.615 128.236 119.914 -0.489 0.000 2.368 179 V HA 0.250 4.371 4.120 0.002 0.000 0.266 179 V C -1.992 173.591 176.094 -0.852 0.000 1.045 179 V CA -1.547 60.301 62.300 -0.753 0.000 0.899 179 V CB 0.724 32.147 31.823 -0.665 0.000 1.006 179 V HN 0.531 nan 8.190 nan 0.000 0.470 180 P HA 0.289 nan 4.420 nan 0.000 0.287 180 P C -0.870 176.133 177.300 -0.495 0.000 1.294 180 P CA -0.174 62.533 63.100 -0.654 0.000 0.776 180 P CB 1.583 32.934 31.700 -0.581 0.000 0.889 181 V N 5.790 125.466 119.914 -0.395 0.000 2.407 181 V HA 0.346 4.467 4.120 0.002 0.000 0.291 181 V C 0.871 176.863 176.094 -0.170 0.000 1.018 181 V CA -0.589 61.539 62.300 -0.286 0.000 0.842 181 V CB 1.494 33.071 31.823 -0.409 0.000 0.996 181 V HN 0.405 nan 8.190 nan 0.000 0.426 182 R N 3.280 123.715 120.500 -0.110 0.000 3.171 182 R HA 0.236 4.577 4.340 0.002 0.000 0.241 182 R C 0.355 176.589 176.300 -0.110 0.000 1.421 182 R CA -0.213 55.833 56.100 -0.090 0.000 1.444 182 R CB 0.250 30.517 30.300 -0.056 0.000 1.247 182 R HN 0.925 nan 8.270 nan 0.000 0.636 183 C N -0.669 118.568 119.300 -0.106 0.000 2.395 183 C HA 0.304 4.765 4.460 0.002 0.000 0.315 183 C C 0.068 174.989 174.990 -0.114 0.000 1.399 183 C CA -1.135 57.824 59.018 -0.099 0.000 1.788 183 C CB -1.256 26.447 27.740 -0.062 0.000 2.564 183 C HN 0.462 nan 8.230 nan 0.000 0.552 184 E N 1.244 121.294 120.200 -0.249 0.000 2.558 184 E HA 0.327 4.678 4.350 0.002 0.000 0.255 184 E C 1.592 177.966 176.600 -0.378 0.000 0.968 184 E CA 0.940 57.126 56.400 -0.357 0.000 0.939 184 E CB 0.510 29.783 29.700 -0.711 0.000 0.921 184 E HN 0.610 nan 8.360 nan 0.000 0.477 185 G N 2.891 111.608 108.800 -0.138 0.000 2.499 185 G HA2 -0.305 3.656 3.960 0.002 0.000 0.221 185 G HA3 -0.305 3.656 3.960 0.002 0.000 0.221 185 G C 1.123 176.014 174.900 -0.016 0.000 1.109 185 G CA 1.087 46.164 45.100 -0.037 0.000 0.749 185 G HN 0.660 nan 8.290 nan 0.000 0.568 186 F N 0.217 120.171 119.950 0.006 0.000 2.367 186 F HA 0.372 4.900 4.527 0.002 0.000 0.298 186 F C 1.280 177.086 175.800 0.009 0.000 1.094 186 F CA -0.832 57.171 58.000 0.005 0.000 1.409 186 F CB -0.340 38.658 39.000 -0.003 0.000 1.064 186 F HN -0.137 nan 8.300 nan 0.000 0.528 187 R N 1.680 121.911 120.500 -0.448 0.000 2.570 187 R HA 0.372 4.714 4.340 0.002 0.000 0.277 187 R C 0.843 177.091 176.300 -0.087 0.000 1.039 187 R CA 0.990 56.933 56.100 -0.262 0.000 1.065 187 R CB -0.216 29.831 30.300 -0.422 0.000 0.964 187 R HN 0.700 nan 8.270 nan 0.000 0.428 188 G N 0.970 109.758 108.800 -0.019 0.000 2.698 188 G HA2 -0.289 3.672 3.960 0.002 0.000 0.233 188 G HA3 -0.289 3.672 3.960 0.002 0.000 0.233 188 G C 0.326 175.240 174.900 0.023 0.000 1.352 188 G CA -0.256 44.842 45.100 -0.003 0.000 0.879 188 G HN 0.816 nan 8.290 nan 0.000 0.567 189 V N -3.407 116.523 119.914 0.026 0.000 3.604 189 V HA 0.692 4.813 4.120 0.002 0.000 0.277 189 V C 0.895 177.026 176.094 0.061 0.000 1.399 189 V CA 1.759 64.086 62.300 0.046 0.000 1.034 189 V CB -0.188 31.661 31.823 0.042 0.000 0.824 189 V HN 2.436 nan 8.190 nan 0.000 0.439 190 S N -0.906 114.822 115.700 0.047 0.000 2.724 190 S HA 0.404 4.875 4.470 0.002 0.000 0.278 190 S C 0.129 174.698 174.600 -0.052 0.000 1.190 190 S CA -0.184 58.047 58.200 0.052 0.000 0.860 190 S CB 1.552 64.846 63.200 0.155 0.000 1.206 190 S HN 0.040 nan 8.310 nan 0.000 0.507 191 Q N 0.943 120.622 119.800 -0.202 0.000 2.291 191 Q HA 0.045 4.387 4.340 0.002 0.000 0.206 191 Q C 2.077 177.841 176.000 -0.392 0.000 0.976 191 Q CA 1.509 57.069 55.803 -0.405 0.000 0.875 191 Q CB -0.475 27.787 28.738 -0.793 0.000 0.927 191 Q HN 0.638 nan 8.270 nan 0.000 0.450 192 S N 0.058 115.592 115.700 -0.277 0.000 2.365 192 S HA -0.143 4.328 4.470 0.002 0.000 0.225 192 S C 1.623 176.251 174.600 0.047 0.000 1.039 192 S CA 0.934 59.129 58.200 -0.008 0.000 1.033 192 S CB -0.237 63.134 63.200 0.285 0.000 0.887 192 S HN 0.459 nan 8.310 nan 0.000 0.447 193 L N 0.795 122.026 121.223 0.014 0.000 2.141 193 L HA -0.029 4.312 4.340 0.002 0.000 0.209 193 L C 2.491 179.348 176.870 -0.021 0.000 1.094 193 L CA 1.607 56.444 54.840 -0.005 0.000 0.763 193 L CB -1.313 40.731 42.059 -0.025 0.000 0.908 193 L HN 0.540 nan 8.230 nan 0.000 0.437 194 G N -1.008 107.757 108.800 -0.058 0.000 2.432 194 G HA2 -0.268 3.693 3.960 0.002 0.000 0.219 194 G HA3 -0.268 3.693 3.960 0.002 0.000 0.219 194 G C 1.398 176.273 174.900 -0.042 0.000 1.135 194 G CA 0.334 45.395 45.100 -0.067 0.000 0.767 194 G HN 0.445 nan 8.290 nan 0.000 0.550 195 Q N -0.759 119.020 119.800 -0.034 0.000 2.046 195 Q HA -0.101 4.241 4.340 0.002 0.000 0.200 195 Q C 2.291 178.329 176.000 0.063 0.000 0.975 195 Q CA 1.370 57.191 55.803 0.030 0.000 0.836 195 Q CB -0.264 28.528 28.738 0.091 0.000 0.896 195 Q HN 0.641 nan 8.270 nan 0.000 0.428 196 H N 0.583 119.559 119.070 -0.156 0.000 2.319 196 H HA -0.114 4.444 4.556 0.002 0.000 0.299 196 H C 1.752 176.937 175.328 -0.238 0.000 1.092 196 H CA 1.801 57.535 56.048 -0.524 0.000 1.302 196 H CB -0.080 29.249 29.762 -0.722 0.000 1.373 196 H HN 0.162 nan 8.280 nan 0.000 0.497 197 I N -0.280 120.231 120.570 -0.097 0.000 2.315 197 I HA -0.228 3.944 4.170 0.002 0.000 0.248 197 I C 2.581 178.709 176.117 0.018 0.000 1.117 197 I CA 0.954 62.219 61.300 -0.058 0.000 1.404 197 I CB -0.287 37.696 38.000 -0.028 0.000 1.071 197 I HN 0.401 nan 8.210 nan 0.000 0.419 198 A N 0.481 123.350 122.820 0.082 0.000 1.929 198 A HA -0.169 4.152 4.320 0.002 0.000 0.216 198 A C 2.055 179.753 177.584 0.191 0.000 1.176 198 A CA 1.539 53.751 52.037 0.292 0.000 0.628 198 A CB -0.755 18.370 19.000 0.209 0.000 0.816 198 A HN 0.453 nan 8.150 nan 0.000 0.444 199 N N -0.059 118.662 118.700 0.035 0.000 2.106 199 N HA -0.145 4.596 4.740 0.002 0.000 0.188 199 N C 0.838 176.342 175.510 -0.009 0.000 1.029 199 N CA 1.363 54.428 53.050 0.025 0.000 0.848 199 N CB -0.213 38.286 38.487 0.020 0.000 1.007 199 N HN 0.372 nan 8.380 nan 0.000 0.423 200 D N 1.017 121.344 120.400 -0.122 0.000 2.178 200 D HA -0.054 4.587 4.640 0.002 0.000 0.202 200 D C 1.818 178.163 176.300 0.074 0.000 0.974 200 D CA 0.482 54.420 54.000 -0.103 0.000 0.841 200 D CB -0.232 40.459 40.800 -0.182 0.000 0.953 200 D HN 0.232 nan 8.370 nan 0.000 0.478 201 A N 0.520 123.459 122.820 0.198 0.000 1.930 201 A HA -0.113 4.208 4.320 0.002 0.000 0.217 201 A C 2.418 180.310 177.584 0.513 0.000 1.175 201 A CA 1.256 53.515 52.037 0.370 0.000 0.627 201 A CB -0.545 18.655 19.000 0.332 0.000 0.815 201 A HN 0.176 nan 8.150 nan 0.000 0.443 202 V N -0.004 120.183 119.914 0.455 0.000 2.358 202 V HA -0.201 3.920 4.120 0.002 0.000 0.246 202 V C 2.550 178.773 176.094 0.216 0.000 1.047 202 V CA 1.918 64.412 62.300 0.324 0.000 1.035 202 V CB -1.007 30.858 31.823 0.070 0.000 0.658 202 V HN 0.605 nan 8.190 nan 0.000 0.452 203 R N 0.624 121.187 120.500 0.106 0.000 2.073 203 R HA -0.195 4.146 4.340 0.002 0.000 0.234 203 R C 1.963 178.235 176.300 -0.047 0.000 1.134 203 R CA 2.299 58.367 56.100 -0.052 0.000 0.952 203 R CB -0.463 29.664 30.300 -0.288 0.000 0.850 203 R HN 0.540 nan 8.270 nan 0.000 0.433 204 D N -1.336 119.043 120.400 -0.034 0.000 2.194 204 D HA -0.127 4.515 4.640 0.002 0.000 0.204 204 D C 1.237 177.328 176.300 -0.349 0.000 0.964 204 D CA 1.034 54.900 54.000 -0.225 0.000 0.846 204 D CB -0.125 40.504 40.800 -0.285 0.000 0.962 204 D HN 0.375 nan 8.370 nan 0.000 0.490 205 W N -0.251 121.075 121.300 0.044 0.000 2.871 205 W HA 0.223 4.885 4.660 0.002 0.000 0.340 205 W C 1.532 178.091 176.519 0.067 0.000 1.058 205 W CA -0.131 57.239 57.345 0.041 0.000 1.633 205 W CB 0.549 30.018 29.460 0.014 0.000 1.067 205 W HN -0.243 nan 8.180 nan 0.000 0.554 206 V N -1.062 119.008 119.914 0.260 0.000 3.177 206 V HA -0.010 4.112 4.120 0.002 0.000 0.219 206 V C 1.590 177.764 176.094 0.134 0.000 1.344 206 V CA 0.149 62.563 62.300 0.189 0.000 1.324 206 V CB -0.650 31.291 31.823 0.197 0.000 1.165 206 V HN -0.120 nan 8.190 nan 0.000 0.510 207 L N 2.099 123.416 121.223 0.157 0.000 2.079 207 L HA -0.037 4.304 4.340 0.002 0.000 0.210 207 L C 2.050 179.042 176.870 0.205 0.000 1.081 207 L CA 2.555 57.511 54.840 0.193 0.000 0.752 207 L CB -0.899 41.336 42.059 0.293 0.000 0.896 207 L HN 0.373 nan 8.230 nan 0.000 0.433 208 G N -1.761 107.155 108.800 0.193 0.000 2.920 208 G HA2 -0.174 3.787 3.960 0.002 0.000 0.208 208 G HA3 -0.174 3.787 3.960 0.002 0.000 0.208 208 G C 1.586 176.560 174.900 0.124 0.000 1.159 208 G CA 0.328 45.546 45.100 0.197 0.000 0.784 208 G HN 0.377 nan 8.290 nan 0.000 0.535 209 K N 0.516 120.971 120.400 0.092 0.000 2.152 209 K HA -0.054 4.267 4.320 0.002 0.000 0.206 209 K C 1.739 178.373 176.600 0.057 0.000 1.048 209 K CA 0.780 57.107 56.287 0.067 0.000 0.933 209 K CB -0.045 32.492 32.500 0.061 0.000 0.721 209 K HN 0.178 nan 8.250 nan 0.000 0.447 210 R N 0.368 120.899 120.500 0.051 0.000 2.609 210 R HA 0.053 4.394 4.340 0.002 0.000 0.326 210 R C 0.107 176.439 176.300 0.052 0.000 1.090 210 R CA -0.201 55.922 56.100 0.038 0.000 1.072 210 R CB 0.494 30.797 30.300 0.005 0.000 1.330 210 R HN 0.171 nan 8.270 nan 0.000 0.572 211 D N 1.421 121.875 120.400 0.090 0.000 2.219 211 D HA -0.134 4.507 4.640 0.002 0.000 0.205 211 D C 1.397 177.751 176.300 0.091 0.000 0.970 211 D CA 1.153 55.229 54.000 0.126 0.000 0.851 211 D CB 0.365 41.268 40.800 0.172 0.000 0.943 211 D HN 0.339 nan 8.370 nan 0.000 0.488 212 E N 0.373 120.614 120.200 0.069 0.000 2.086 212 E HA -0.065 4.286 4.350 0.002 0.000 0.190 212 E C 0.568 177.200 176.600 0.053 0.000 0.975 212 E CA 0.127 56.560 56.400 0.055 0.000 0.813 212 E CB 0.111 29.838 29.700 0.045 0.000 0.768 212 E HN 0.173 nan 8.360 nan 0.000 0.457 213 D N 1.603 122.035 120.400 0.054 0.000 2.434 213 D HA -0.047 4.595 4.640 0.002 0.000 0.252 213 D C 0.506 176.847 176.300 0.069 0.000 1.185 213 D CA 0.523 54.557 54.000 0.057 0.000 0.886 213 D CB 0.876 41.709 40.800 0.055 0.000 1.148 213 D HN 0.051 nan 8.370 nan 0.000 0.483 214 T N -0.850 113.744 114.554 0.068 0.000 3.129 214 T HA 0.010 4.362 4.350 0.002 0.000 0.267 214 T C 1.363 176.111 174.700 0.081 0.000 1.018 214 T CA 0.087 62.231 62.100 0.074 0.000 0.903 214 T CB -0.080 68.820 68.868 0.053 0.000 1.067 214 T HN 0.338 nan 8.240 nan 0.000 0.549 215 T N -0.829 113.779 114.554 0.091 0.000 3.129 215 T HA 0.267 4.618 4.350 0.002 0.000 0.251 215 T C 0.167 174.936 174.700 0.116 0.000 1.117 215 T CA -0.618 61.531 62.100 0.081 0.000 1.034 215 T CB -0.767 68.143 68.868 0.069 0.000 0.968 215 T HN 0.346 nan 8.240 nan 0.000 0.526 216 F N 3.134 123.091 119.950 0.012 0.000 2.472 216 F HA 0.574 5.102 4.527 0.002 0.000 0.364 216 F C 0.476 176.282 175.800 0.010 0.000 1.090 216 F CA -2.007 56.000 58.000 0.012 0.000 1.188 216 F CB 0.292 39.297 39.000 0.010 0.000 1.105 216 F HN 0.191 nan 8.300 nan 0.000 0.536 217 A N 6.064 128.492 122.820 -0.653 0.000 2.671 217 A HA 0.429 4.750 4.320 0.002 0.000 0.306 217 A C 0.223 177.364 177.584 -0.738 0.000 1.473 217 A CA -0.103 51.623 52.037 -0.518 0.000 1.155 217 A CB -1.207 17.594 19.000 -0.333 0.000 1.123 217 A HN 0.817 nan 8.150 nan 0.000 0.545 218 S N 1.753 117.189 115.700 -0.440 0.000 2.617 218 S HA 0.652 5.123 4.470 0.002 0.000 0.259 218 S C 0.464 174.993 174.600 -0.117 0.000 1.301 218 S CA 0.171 58.251 58.200 -0.200 0.000 0.984 218 S CB 0.918 64.167 63.200 0.082 0.000 0.954 218 S HN 1.316 nan 8.310 nan 0.000 0.572 219 T N -3.508 111.023 114.554 -0.038 0.000 2.883 219 T HA 0.534 4.885 4.350 0.002 0.000 0.296 219 T C -2.578 172.058 174.700 -0.107 0.000 1.117 219 T CA -1.869 60.194 62.100 -0.063 0.000 1.006 219 T CB 1.560 70.427 68.868 -0.001 0.000 1.191 219 T HN 0.361 nan 8.240 nan 0.000 0.508 220 P HA -0.049 nan 4.420 nan 0.000 0.226 220 P C 0.261 177.331 177.300 -0.383 0.000 1.146 220 P CA 1.012 63.860 63.100 -0.420 0.000 0.773 220 P CB -0.280 31.034 31.700 -0.644 0.000 0.772 221 Y N -0.666 119.693 120.300 0.100 0.000 2.636 221 Y HA 0.232 4.783 4.550 0.002 0.000 0.260 221 Y C 0.442 176.338 175.900 -0.007 0.000 1.177 221 Y CA -1.061 57.007 58.100 -0.053 0.000 1.209 221 Y CB -0.057 38.288 38.460 -0.192 0.000 1.166 221 Y HN -0.158 nan 8.280 nan 0.000 0.531 222 D N 1.051 121.558 120.400 0.179 0.000 2.350 222 D HA 0.318 4.960 4.640 0.002 0.000 0.249 222 D C -0.336 176.074 176.300 0.184 0.000 1.119 222 D CA 0.416 54.521 54.000 0.175 0.000 0.886 222 D CB 2.240 43.158 40.800 0.197 0.000 1.195 222 D HN -0.045 nan 8.370 nan 0.000 0.437 223 V N 0.361 120.355 119.914 0.133 0.000 3.206 223 V HA 0.829 4.950 4.120 0.002 0.000 0.305 223 V C -1.373 174.759 176.094 0.064 0.000 1.257 223 V CA -0.686 61.680 62.300 0.109 0.000 1.057 223 V CB 2.304 34.181 31.823 0.090 0.000 1.075 223 V HN 0.697 nan 8.190 nan 0.000 0.443 224 A N 2.835 125.671 122.820 0.028 0.000 2.455 224 A HA 0.816 5.137 4.320 0.002 0.000 0.300 224 A C -1.207 176.366 177.584 -0.019 0.000 1.040 224 A CA -0.518 51.531 52.037 0.019 0.000 0.697 224 A CB 1.294 20.289 19.000 -0.007 0.000 1.265 224 A HN 0.680 nan 8.150 nan 0.000 0.407 225 I N 3.353 123.934 120.570 0.018 0.000 2.337 225 I HA 0.233 4.404 4.170 0.002 0.000 0.291 225 I C -0.614 175.498 176.117 -0.008 0.000 1.046 225 I CA -0.211 61.098 61.300 0.016 0.000 1.324 225 I CB 0.623 38.645 38.000 0.036 0.000 1.409 225 I HN 0.359 nan 8.210 nan 0.000 0.494 226 I N 5.663 126.185 120.570 -0.080 0.000 2.355 226 I HA 0.317 4.488 4.170 0.002 0.000 0.288 226 I C 0.930 176.958 176.117 -0.148 0.000 0.999 226 I CA -0.353 60.804 61.300 -0.237 0.000 1.163 226 I CB 0.756 38.514 38.000 -0.403 0.000 1.316 226 I HN 0.895 nan 8.210 nan 0.000 0.454 227 G N 4.477 113.144 108.800 -0.221 0.000 2.171 227 G HA2 -0.187 3.774 3.960 0.002 0.000 0.238 227 G HA3 -0.187 3.774 3.960 0.002 0.000 0.238 227 G C -0.233 174.439 174.900 -0.380 0.000 1.039 227 G CA -0.225 44.678 45.100 -0.329 0.000 0.759 227 G HN 0.625 nan 8.290 nan 0.000 0.501 228 D N -0.710 119.412 120.400 -0.464 0.000 2.481 228 D HA 0.507 5.148 4.640 0.002 0.000 0.246 228 D C 0.447 176.469 176.300 -0.463 0.000 1.109 228 D CA -0.738 53.111 54.000 -0.252 0.000 0.845 228 D CB 0.777 41.529 40.800 -0.080 0.000 1.160 228 D HN 0.163 nan 8.370 nan 0.000 0.534 229 Y N 2.420 122.726 120.300 0.011 0.000 2.493 229 Y HA 0.217 4.768 4.550 0.002 0.000 0.275 229 Y C 1.316 177.147 175.900 -0.115 0.000 1.183 229 Y CA -0.374 57.699 58.100 -0.045 0.000 1.258 229 Y CB -0.399 38.034 38.460 -0.045 0.000 1.108 229 Y HN 0.529 nan 8.280 nan 0.000 0.521 230 N N 1.427 120.066 118.700 -0.100 0.000 2.725 230 N HA -0.190 4.551 4.740 0.002 0.000 0.251 230 N C -0.893 174.451 175.510 -0.277 0.000 1.031 230 N CA -0.261 52.629 53.050 -0.268 0.000 0.720 230 N CB -0.511 37.712 38.487 -0.439 0.000 0.930 230 N HN 0.118 nan 8.380 nan 0.000 0.543 231 I N 1.177 121.619 120.570 -0.212 0.000 2.494 231 I HA 0.070 4.241 4.170 0.002 0.000 0.289 231 I C 1.871 177.818 176.117 -0.283 0.000 1.106 231 I CA 1.215 62.340 61.300 -0.292 0.000 1.369 231 I CB -0.370 37.403 38.000 -0.378 0.000 1.410 231 I HN 0.481 nan 8.210 nan 0.000 0.523 232 G N 5.155 113.533 108.800 -0.702 0.000 2.153 232 G HA2 -0.157 3.804 3.960 0.002 0.000 0.252 232 G HA3 -0.157 3.804 3.960 0.002 0.000 0.252 232 G C 0.973 175.697 174.900 -0.293 0.000 0.994 232 G CA 0.447 45.138 45.100 -0.682 0.000 0.698 232 G HN 1.568 nan 8.290 nan 0.000 0.521 233 G N -1.126 107.494 108.800 -0.300 0.000 2.159 233 G HA2 -0.235 3.726 3.960 0.002 0.000 0.227 233 G HA3 -0.235 3.726 3.960 0.002 0.000 0.227 233 G C 0.835 175.693 174.900 -0.069 0.000 0.986 233 G CA 0.845 45.913 45.100 -0.053 0.000 0.651 233 G HN 0.602 nan 8.290 nan 0.000 0.523 234 D N 0.746 121.043 120.400 -0.171 0.000 2.157 234 D HA -0.145 4.496 4.640 0.002 0.000 0.191 234 D C 2.631 178.907 176.300 -0.040 0.000 1.004 234 D CA 2.178 56.035 54.000 -0.238 0.000 0.854 234 D CB -0.494 39.952 40.800 -0.590 0.000 0.936 234 D HN 0.838 nan 8.370 nan 0.000 0.446 235 A N 0.034 122.796 122.820 -0.096 0.000 1.968 235 A HA -0.134 4.187 4.320 0.002 0.000 0.217 235 A C 1.966 179.647 177.584 0.162 0.000 1.169 235 A CA 0.745 52.783 52.037 0.002 0.000 0.638 235 A CB -0.787 18.147 19.000 -0.109 0.000 0.812 235 A HN 0.247 nan 8.150 nan 0.000 0.446 236 W N 0.476 121.836 121.300 0.101 0.000 2.402 236 W HA 0.016 4.677 4.660 0.002 0.000 0.286 236 W C 2.267 178.843 176.519 0.096 0.000 1.221 236 W CA 0.897 58.302 57.345 0.100 0.000 1.257 236 W CB -1.262 28.265 29.460 0.112 0.000 1.120 236 W HN 0.322 nan 8.180 nan 0.000 0.551 237 S N -0.345 115.543 115.700 0.313 0.000 2.489 237 S HA -0.069 4.402 4.470 0.002 0.000 0.228 237 S C 1.947 176.638 174.600 0.151 0.000 0.995 237 S CA 1.071 59.389 58.200 0.197 0.000 0.934 237 S CB 0.021 63.312 63.200 0.153 0.000 0.771 237 S HN 0.075 nan 8.310 nan 0.000 0.522 238 S N 1.298 117.135 115.700 0.229 0.000 2.371 238 S HA 0.058 4.529 4.470 0.002 0.000 0.219 238 S C 1.892 176.645 174.600 0.256 0.000 1.040 238 S CA 0.286 58.689 58.200 0.338 0.000 0.958 238 S CB -0.167 63.210 63.200 0.295 0.000 0.860 238 S HN 0.482 nan 8.310 nan 0.000 0.487 239 R N 1.253 121.872 120.500 0.199 0.000 2.091 239 R HA -0.051 4.290 4.340 0.002 0.000 0.238 239 R C 2.283 178.663 176.300 0.132 0.000 1.136 239 R CA 1.456 57.650 56.100 0.156 0.000 0.959 239 R CB -0.503 29.917 30.300 0.200 0.000 0.856 239 R HN 0.433 nan 8.270 nan 0.000 0.437 240 I N 0.828 121.484 120.570 0.143 0.000 2.208 240 I HA -0.303 3.868 4.170 0.002 0.000 0.245 240 I C 1.894 178.073 176.117 0.103 0.000 1.097 240 I CA 1.348 62.719 61.300 0.119 0.000 1.363 240 I CB 0.029 38.112 38.000 0.138 0.000 1.051 240 I HN 0.293 nan 8.210 nan 0.000 0.413 241 L N 0.033 121.299 121.223 0.072 0.000 2.056 241 L HA -0.207 4.134 4.340 0.002 0.000 0.207 241 L C 2.480 179.389 176.870 0.064 0.000 1.078 241 L CA 1.177 56.035 54.840 0.030 0.000 0.749 241 L CB -0.632 41.344 42.059 -0.137 0.000 0.901 241 L HN 0.297 nan 8.230 nan 0.000 0.433 242 L N -0.597 120.677 121.223 0.085 0.000 2.093 242 L HA -0.151 4.190 4.340 0.002 0.000 0.208 242 L C 2.448 179.315 176.870 -0.005 0.000 1.085 242 L CA 1.148 56.009 54.840 0.035 0.000 0.755 242 L CB -0.422 41.638 42.059 0.002 0.000 0.904 242 L HN 0.273 nan 8.230 nan 0.000 0.435 243 E N -0.053 120.159 120.200 0.021 0.000 2.216 243 E HA -0.156 4.195 4.350 0.002 0.000 0.192 243 E C 1.935 178.535 176.600 0.000 0.000 0.988 243 E CA 0.530 56.933 56.400 0.004 0.000 0.834 243 E CB 0.116 29.835 29.700 0.031 0.000 0.772 243 E HN 0.521 nan 8.360 nan 0.000 0.479 244 E N 0.640 120.861 120.200 0.036 0.000 2.150 244 E HA -0.125 4.226 4.350 0.002 0.000 0.193 244 E C 1.825 178.433 176.600 0.013 0.000 0.985 244 E CA 0.624 57.053 56.400 0.048 0.000 0.814 244 E CB -0.021 29.753 29.700 0.123 0.000 0.752 244 E HN 0.145 nan 8.360 nan 0.000 0.466 245 M N -0.696 118.903 119.600 -0.002 0.000 2.686 245 M HA -0.003 4.478 4.480 0.002 0.000 0.246 245 M C 0.940 177.156 176.300 -0.140 0.000 1.096 245 M CA 1.135 56.408 55.300 -0.044 0.000 1.076 245 M CB 0.309 32.894 32.600 -0.025 0.000 1.504 245 M HN 0.270 nan 8.290 nan 0.000 0.524 246 G N 0.353 109.061 108.800 -0.153 0.000 2.232 246 G HA2 -0.216 3.745 3.960 0.002 0.000 0.226 246 G HA3 -0.216 3.745 3.960 0.002 0.000 0.226 246 G C 0.062 174.783 174.900 -0.299 0.000 0.996 246 G CA 0.022 44.967 45.100 -0.258 0.000 0.626 246 G HN 0.414 nan 8.290 nan 0.000 0.509 247 L N 0.493 121.567 121.223 -0.249 0.000 2.436 247 L HA 0.544 4.886 4.340 0.002 0.000 0.265 247 L C 1.059 177.893 176.870 -0.061 0.000 1.168 247 L CA -0.571 54.149 54.840 -0.200 0.000 0.815 247 L CB 0.845 42.757 42.059 -0.245 0.000 1.109 247 L HN 0.233 nan 8.230 nan 0.000 0.462 248 R N 1.059 121.567 120.500 0.013 0.000 2.265 248 R HA 0.363 4.704 4.340 0.002 0.000 0.328 248 R C -1.372 174.973 176.300 0.075 0.000 0.969 248 R CA -0.548 55.589 56.100 0.061 0.000 0.832 248 R CB 1.009 31.372 30.300 0.105 0.000 1.139 248 R HN 0.644 nan 8.270 nan 0.000 0.457 249 C N 5.366 124.709 119.300 0.072 0.000 2.227 249 C HA 0.154 4.615 4.460 0.002 0.000 0.333 249 C C 1.810 176.862 174.990 0.104 0.000 1.145 249 C CA -0.740 58.326 59.018 0.080 0.000 1.643 249 C CB -0.033 27.753 27.740 0.076 0.000 2.185 249 C HN 0.778 nan 8.230 nan 0.000 0.497 250 V N 2.806 122.786 119.914 0.110 0.000 2.379 250 V HA 0.020 4.141 4.120 0.002 0.000 0.245 250 V C 1.309 177.450 176.094 0.078 0.000 1.044 250 V CA 1.860 64.220 62.300 0.100 0.000 1.036 250 V CB -0.407 31.457 31.823 0.069 0.000 0.664 250 V HN 0.929 nan 8.190 nan 0.000 0.453 251 A N -0.751 122.135 122.820 0.110 0.000 2.435 251 A HA 0.739 5.060 4.320 0.002 0.000 0.304 251 A C -0.862 176.848 177.584 0.210 0.000 1.064 251 A CA -0.539 51.598 52.037 0.168 0.000 0.727 251 A CB 1.617 20.795 19.000 0.297 0.000 1.284 251 A HN 0.288 nan 8.150 nan 0.000 0.415 252 Q N 0.787 120.705 119.800 0.197 0.000 2.320 252 Q HA 0.275 4.617 4.340 0.002 0.000 0.268 252 Q C -1.935 174.154 176.000 0.148 0.000 1.023 252 Q CA -0.123 55.780 55.803 0.167 0.000 0.744 252 Q CB 1.857 30.662 28.738 0.113 0.000 1.246 252 Q HN 0.699 nan 8.270 nan 0.000 0.462 253 W N 2.137 123.342 121.300 -0.159 0.000 2.357 253 W HA 0.202 4.863 4.660 0.002 0.000 0.317 253 W C 0.927 177.239 176.519 -0.345 0.000 1.101 253 W CA 0.238 57.453 57.345 -0.217 0.000 1.380 253 W CB 0.748 30.081 29.460 -0.212 0.000 1.266 253 W HN 0.856 nan 8.180 nan 0.000 0.419 254 S N 1.402 117.023 115.700 -0.132 0.000 1.402 254 S HA -0.203 4.268 4.470 0.002 0.000 0.247 254 S C 1.050 175.631 174.600 -0.031 0.000 0.661 254 S CA 1.415 59.558 58.200 -0.094 0.000 1.198 254 S CB -1.644 61.632 63.200 0.127 0.000 1.282 254 S HN 0.819 nan 8.310 nan 0.000 0.501 255 G N 1.790 110.565 108.800 -0.042 0.000 2.255 255 G HA2 0.339 4.300 3.960 0.002 0.000 0.267 255 G HA3 0.339 4.300 3.960 0.002 0.000 0.267 255 G C 0.184 175.073 174.900 -0.018 0.000 1.177 255 G CA 1.105 46.189 45.100 -0.028 0.000 1.027 255 G HN 0.897 nan 8.290 nan 0.000 0.437 256 D N 0.392 120.834 120.400 0.070 0.000 2.911 256 D HA -0.132 4.509 4.640 0.002 0.000 0.227 256 D C 0.975 177.365 176.300 0.149 0.000 1.164 256 D CA 1.609 55.729 54.000 0.200 0.000 0.782 256 D CB -1.101 39.894 40.800 0.324 0.000 1.094 256 D HN 0.802 nan 8.370 nan 0.000 0.425 257 G N -0.289 108.539 108.800 0.046 0.000 2.377 257 G HA2 0.529 4.491 3.960 0.002 0.000 0.299 257 G HA3 0.529 4.491 3.960 0.002 0.000 0.299 257 G C 0.132 175.015 174.900 -0.028 0.000 1.150 257 G CA 0.111 45.198 45.100 -0.022 0.000 0.847 257 G HN 0.510 nan 8.290 nan 0.000 0.501 258 S N 1.669 117.349 115.700 -0.032 0.000 2.690 258 S HA 0.356 4.827 4.470 0.002 0.000 0.291 258 S C 1.421 175.969 174.600 -0.086 0.000 1.138 258 S CA -0.833 57.351 58.200 -0.027 0.000 1.013 258 S CB 1.712 64.916 63.200 0.007 0.000 1.053 258 S HN 0.557 nan 8.310 nan 0.000 0.539 259 I N 1.308 121.847 120.570 -0.053 0.000 2.315 259 I HA -0.182 3.989 4.170 0.002 0.000 0.248 259 I C 2.286 178.360 176.117 -0.071 0.000 1.117 259 I CA 1.730 62.991 61.300 -0.065 0.000 1.404 259 I CB -0.333 37.666 38.000 -0.002 0.000 1.071 259 I HN 0.904 nan 8.210 nan 0.000 0.419 260 S N -0.366 115.308 115.700 -0.043 0.000 2.453 260 S HA -0.140 4.331 4.470 0.002 0.000 0.231 260 S C 1.677 176.232 174.600 -0.074 0.000 1.005 260 S CA 0.840 59.015 58.200 -0.042 0.000 0.949 260 S CB -0.372 62.820 63.200 -0.013 0.000 0.774 260 S HN 0.563 nan 8.310 nan 0.000 0.510 261 E N 0.788 120.939 120.200 -0.081 0.000 2.107 261 E HA -0.011 4.340 4.350 0.002 0.000 0.191 261 E C 1.817 178.363 176.600 -0.091 0.000 0.982 261 E CA 0.901 57.254 56.400 -0.079 0.000 0.809 261 E CB -0.139 29.530 29.700 -0.051 0.000 0.756 261 E HN 0.429 nan 8.360 nan 0.000 0.459 262 I N 1.535 121.974 120.570 -0.219 0.000 2.179 262 I HA -0.232 3.939 4.170 0.002 0.000 0.242 262 I C 2.039 178.123 176.117 -0.056 0.000 1.088 262 I CA 1.519 62.630 61.300 -0.316 0.000 1.357 262 I CB -1.133 36.528 38.000 -0.564 0.000 1.051 262 I HN 0.136 nan 8.210 nan 0.000 0.409 263 E N 0.186 120.343 120.200 -0.072 0.000 2.204 263 E HA -0.191 4.160 4.350 0.002 0.000 0.195 263 E C 1.921 178.471 176.600 -0.082 0.000 0.990 263 E CA 0.746 57.123 56.400 -0.038 0.000 0.821 263 E CB 0.002 29.683 29.700 -0.031 0.000 0.750 263 E HN 0.220 nan 8.360 nan 0.000 0.477 264 L N 0.106 121.247 121.223 -0.138 0.000 2.446 264 L HA -0.000 4.341 4.340 0.002 0.000 0.219 264 L C 2.026 178.756 176.870 -0.233 0.000 1.116 264 L CA 1.289 55.957 54.840 -0.286 0.000 0.844 264 L CB -0.456 41.338 42.059 -0.442 0.000 0.970 264 L HN 0.028 nan 8.230 nan 0.000 0.457 265 T N 1.009 115.533 114.554 -0.049 0.000 2.803 265 T HA -0.094 4.257 4.350 0.002 0.000 0.269 265 T C -0.709 173.918 174.700 -0.123 0.000 1.052 265 T CA 1.300 63.410 62.100 0.017 0.000 1.136 265 T CB -0.949 68.096 68.868 0.295 0.000 0.864 265 T HN 0.287 nan 8.240 nan 0.000 0.467 266 P HA -0.047 nan 4.420 nan 0.000 0.229 266 P C 0.881 177.969 177.300 -0.354 0.000 1.150 266 P CA 0.965 63.709 63.100 -0.593 0.000 0.765 266 P CB 0.011 31.029 31.700 -1.137 0.000 0.783 267 K N -0.201 120.080 120.400 -0.199 0.000 2.367 267 K HA 0.111 4.432 4.320 0.002 0.000 0.194 267 K C 1.169 177.797 176.600 0.046 0.000 1.027 267 K CA 0.065 56.324 56.287 -0.047 0.000 1.075 267 K CB -0.105 32.365 32.500 -0.050 0.000 0.845 267 K HN 0.193 nan 8.250 nan 0.000 0.529 268 V N -0.645 119.274 119.914 0.008 0.000 3.083 268 V HA 0.243 4.364 4.120 0.002 0.000 0.306 268 V C 1.091 177.225 176.094 0.067 0.000 1.077 268 V CA -0.546 61.795 62.300 0.069 0.000 1.073 268 V CB 1.188 33.043 31.823 0.054 0.000 1.081 268 V HN -0.107 nan 8.190 nan 0.000 0.474 269 K N 0.909 121.374 120.400 0.108 0.000 2.262 269 K HA 0.362 4.684 4.320 0.002 0.000 0.200 269 K C -0.129 176.515 176.600 0.073 0.000 1.049 269 K CA 0.627 56.968 56.287 0.090 0.000 0.979 269 K CB 0.056 32.638 32.500 0.137 0.000 0.773 269 K HN 0.643 nan 8.250 nan 0.000 0.474 270 L N 0.477 121.770 121.223 0.117 0.000 2.472 270 L HA 0.312 4.653 4.340 0.002 0.000 0.260 270 L C -1.847 175.074 176.870 0.085 0.000 0.963 270 L CA -0.431 54.466 54.840 0.096 0.000 0.829 270 L CB 2.103 44.237 42.059 0.126 0.000 1.348 270 L HN -0.064 nan 8.230 nan 0.000 0.408 271 N N 4.403 123.153 118.700 0.083 0.000 2.424 271 N HA 0.607 5.348 4.740 0.002 0.000 0.271 271 N C -1.316 174.253 175.510 0.098 0.000 0.985 271 N CA -0.501 52.573 53.050 0.040 0.000 0.921 271 N CB 1.335 39.814 38.487 -0.014 0.000 1.149 271 N HN 0.472 nan 8.380 nan 0.000 0.492 272 L N 3.063 124.313 121.223 0.045 0.000 2.270 272 L HA 0.363 4.704 4.340 0.002 0.000 0.286 272 L C -0.521 176.514 176.870 0.275 0.000 1.059 272 L CA -0.848 54.053 54.840 0.101 0.000 0.839 272 L CB 0.712 42.657 42.059 -0.190 0.000 1.221 272 L HN 0.242 nan 8.230 nan 0.000 0.431 273 V N 3.181 123.279 119.914 0.306 0.000 2.405 273 V HA 0.028 4.149 4.120 0.002 0.000 0.264 273 V C 1.036 177.191 176.094 0.101 0.000 1.048 273 V CA -0.086 62.322 62.300 0.180 0.000 0.966 273 V CB 0.722 32.660 31.823 0.192 0.000 1.015 273 V HN 0.756 nan 8.190 nan 0.000 0.477 274 H N 3.344 122.299 119.070 -0.191 0.000 2.284 274 H HA 0.050 4.607 4.556 0.002 0.000 0.314 274 H C 1.172 176.361 175.328 -0.232 0.000 1.058 274 H CA 0.940 56.677 56.048 -0.518 0.000 1.394 274 H CB 0.711 30.166 29.762 -0.512 0.000 1.431 274 H HN 0.622 nan 8.280 nan 0.000 0.537 275 C N 2.331 121.586 119.300 -0.074 0.000 2.442 275 C HA 0.045 4.506 4.460 0.002 0.000 0.362 275 C C 1.560 176.506 174.990 -0.074 0.000 1.242 275 C CA -0.529 58.447 59.018 -0.069 0.000 1.741 275 C CB -1.859 25.958 27.740 0.128 0.000 2.378 275 C HN 0.616 nan 8.230 nan 0.000 0.549 276 Y N 4.634 124.799 120.300 -0.226 0.000 2.206 276 Y HA 0.021 4.572 4.550 0.002 0.000 0.292 276 Y C 2.413 178.137 175.900 -0.293 0.000 1.123 276 Y CA 1.944 59.907 58.100 -0.229 0.000 1.142 276 Y CB -0.332 38.017 38.460 -0.185 0.000 1.006 276 Y HN 0.690 nan 8.280 nan 0.000 0.518 277 R N 0.928 121.259 120.500 -0.282 0.000 2.127 277 R HA -0.136 4.205 4.340 0.002 0.000 0.238 277 R C 2.096 178.176 176.300 -0.366 0.000 1.134 277 R CA 2.041 57.925 56.100 -0.360 0.000 0.975 277 R CB -0.987 29.268 30.300 -0.075 0.000 0.865 277 R HN 0.494 nan 8.270 nan 0.000 0.447 278 S N -2.179 113.402 115.700 -0.198 0.000 2.503 278 S HA 0.143 4.614 4.470 0.002 0.000 0.215 278 S C 1.401 175.940 174.600 -0.102 0.000 1.003 278 S CA 0.114 58.281 58.200 -0.056 0.000 0.910 278 S CB 0.377 63.619 63.200 0.070 0.000 0.790 278 S HN 0.192 nan 8.310 nan 0.000 0.514 279 M N 1.999 121.421 119.600 -0.297 0.000 2.289 279 M HA 0.265 4.746 4.480 0.002 0.000 0.335 279 M C 1.050 177.013 176.300 -0.563 0.000 0.961 279 M CA 0.294 55.409 55.300 -0.309 0.000 1.018 279 M CB -0.256 32.211 32.600 -0.221 0.000 1.678 279 M HN 0.594 nan 8.290 nan 0.000 0.589 280 N N 0.458 118.624 118.700 -0.889 0.000 2.223 280 N HA -0.184 4.557 4.740 0.002 0.000 0.185 280 N C 1.456 176.527 175.510 -0.732 0.000 1.016 280 N CA 1.555 53.995 53.050 -1.016 0.000 0.863 280 N CB -0.658 36.989 38.487 -1.401 0.000 0.983 280 N HN 0.330 nan 8.380 nan 0.000 0.429 281 Y N 0.014 120.102 120.300 -0.354 0.000 2.070 281 Y HA -0.153 4.399 4.550 0.002 0.000 0.280 281 Y C 2.249 178.030 175.900 -0.200 0.000 1.148 281 Y CA 0.645 58.627 58.100 -0.197 0.000 1.125 281 Y CB -0.383 38.008 38.460 -0.115 0.000 0.975 281 Y HN 0.131 nan 8.280 nan 0.000 0.492 282 I N -0.496 120.037 120.570 -0.062 0.000 2.676 282 I HA -0.193 3.979 4.170 0.002 0.000 0.259 282 I C 2.121 178.115 176.117 -0.205 0.000 1.194 282 I CA 1.085 62.340 61.300 -0.074 0.000 1.473 282 I CB -0.377 37.579 38.000 -0.074 0.000 1.096 282 I HN 0.028 nan 8.210 nan 0.000 0.443 283 S N 0.376 115.790 115.700 -0.477 0.000 2.387 283 S HA -0.094 4.377 4.470 0.002 0.000 0.226 283 S C 2.055 176.256 174.600 -0.666 0.000 1.026 283 S CA 1.007 58.768 58.200 -0.733 0.000 0.972 283 S CB -0.203 62.227 63.200 -1.284 0.000 0.814 283 S HN 0.455 nan 8.310 nan 0.000 0.477 284 R N 0.406 120.604 120.500 -0.503 0.000 2.075 284 R HA -0.074 4.267 4.340 0.002 0.000 0.232 284 R C 2.411 178.720 176.300 0.015 0.000 1.126 284 R CA 1.404 57.461 56.100 -0.073 0.000 0.963 284 R CB -0.568 29.741 30.300 0.015 0.000 0.858 284 R HN 0.539 nan 8.270 nan 0.000 0.435 285 H N 0.881 119.913 119.070 -0.063 0.000 2.353 285 H HA -0.059 4.498 4.556 0.002 0.000 0.300 285 H C 1.829 177.154 175.328 -0.006 0.000 1.090 285 H CA 1.653 57.683 56.048 -0.030 0.000 1.327 285 H CB 0.076 29.822 29.762 -0.027 0.000 1.383 285 H HN 0.158 nan 8.280 nan 0.000 0.508 286 M N 0.290 119.822 119.600 -0.113 0.000 2.476 286 M HA -0.083 4.398 4.480 0.002 0.000 0.262 286 M C 2.272 178.596 176.300 0.041 0.000 1.079 286 M CA 1.105 56.409 55.300 0.007 0.000 1.104 286 M CB 0.037 32.705 32.600 0.113 0.000 1.409 286 M HN 0.360 nan 8.290 nan 0.000 0.467 287 E N 0.342 120.569 120.200 0.046 0.000 2.158 287 E HA -0.144 4.207 4.350 0.002 0.000 0.191 287 E C 1.686 178.295 176.600 0.015 0.000 0.982 287 E CA 0.675 57.141 56.400 0.110 0.000 0.823 287 E CB 0.384 30.245 29.700 0.268 0.000 0.766 287 E HN 0.366 nan 8.360 nan 0.000 0.468 288 E N 1.017 121.182 120.200 -0.058 0.000 2.006 288 E HA -0.194 4.158 4.350 0.002 0.000 0.192 288 E C 1.985 178.472 176.600 -0.189 0.000 0.993 288 E CA 1.044 57.387 56.400 -0.095 0.000 0.808 288 E CB -0.309 29.338 29.700 -0.088 0.000 0.764 288 E HN 0.165 nan 8.360 nan 0.000 0.449 289 K N -0.282 119.874 120.400 -0.406 0.000 2.097 289 K HA -0.111 4.211 4.320 0.002 0.000 0.205 289 K C 1.480 177.764 176.600 -0.527 0.000 1.050 289 K CA 1.168 57.110 56.287 -0.574 0.000 0.938 289 K CB 0.033 31.935 32.500 -0.996 0.000 0.718 289 K HN 0.135 nan 8.250 nan 0.000 0.442 290 Y N -1.637 118.593 120.300 -0.116 0.000 2.445 290 Y HA 0.264 4.816 4.550 0.002 0.000 0.247 290 Y C 1.200 177.081 175.900 -0.030 0.000 1.129 290 Y CA -0.071 57.996 58.100 -0.055 0.000 1.251 290 Y CB 1.517 39.951 38.460 -0.044 0.000 1.176 290 Y HN 0.264 nan 8.280 nan 0.000 0.522 291 G N 1.392 110.246 108.800 0.090 0.000 2.184 291 G HA2 -0.314 3.647 3.960 0.002 0.000 0.264 291 G HA3 -0.314 3.647 3.960 0.002 0.000 0.264 291 G C 0.122 175.066 174.900 0.074 0.000 0.975 291 G CA 0.090 45.227 45.100 0.063 0.000 0.642 291 G HN 0.324 nan 8.290 nan 0.000 0.536 292 I N 3.608 124.244 120.570 0.109 0.000 2.494 292 I HA 0.189 4.360 4.170 0.002 0.000 0.289 292 I C -1.092 175.101 176.117 0.127 0.000 1.106 292 I CA -1.688 59.668 61.300 0.094 0.000 1.369 292 I CB 0.502 38.553 38.000 0.085 0.000 1.410 292 I HN 0.001 nan 8.210 nan 0.000 0.523 293 P HA 0.015 nan 4.420 nan 0.000 0.269 293 P C -1.147 176.237 177.300 0.140 0.000 1.215 293 P CA 0.009 63.132 63.100 0.039 0.000 0.780 293 P CB 0.644 32.306 31.700 -0.063 0.000 0.898 294 W N 2.719 123.997 121.300 -0.036 0.000 3.107 294 W HA 0.653 5.314 4.660 0.002 0.000 0.331 294 W C -1.494 175.018 176.519 -0.011 0.000 1.204 294 W CA -1.346 55.982 57.345 -0.029 0.000 1.184 294 W CB 0.990 30.427 29.460 -0.038 0.000 1.421 294 W HN 0.354 nan 8.180 nan 0.000 0.544 295 M N 0.661 120.390 119.600 0.215 0.000 2.531 295 M HA 0.588 5.070 4.480 0.002 0.000 0.286 295 M C -1.439 175.021 176.300 0.267 0.000 1.232 295 M CA -0.731 54.629 55.300 0.100 0.000 0.877 295 M CB 3.242 35.847 32.600 0.009 0.000 1.726 295 M HN 0.421 nan 8.290 nan 0.000 0.463 296 E N 1.895 122.208 120.200 0.190 0.000 2.249 296 E HA 0.532 4.883 4.350 0.002 0.000 0.280 296 E C -1.654 175.066 176.600 0.199 0.000 1.016 296 E CA -0.383 56.136 56.400 0.198 0.000 0.830 296 E CB 1.284 31.043 29.700 0.097 0.000 1.081 296 E HN 0.618 nan 8.360 nan 0.000 0.395 297 Y N 0.458 120.782 120.300 0.039 0.000 2.638 297 Y HA 0.657 5.208 4.550 0.002 0.000 0.339 297 Y C -1.153 174.782 175.900 0.059 0.000 1.084 297 Y CA -1.419 56.678 58.100 -0.005 0.000 1.068 297 Y CB 1.560 39.945 38.460 -0.125 0.000 1.294 297 Y HN 0.305 nan 8.280 nan 0.000 0.480 298 N N 1.458 120.161 118.700 0.005 0.000 2.533 298 N HA 0.280 5.021 4.740 0.002 0.000 0.289 298 N C -1.963 173.694 175.510 0.244 0.000 1.103 298 N CA -0.776 52.208 53.050 -0.109 0.000 0.877 298 N CB 0.704 38.899 38.487 -0.487 0.000 1.419 298 N HN 0.863 nan 8.380 nan 0.000 0.517 299 F N 2.531 122.431 119.950 -0.084 0.000 2.925 299 F HA 0.363 4.891 4.527 0.002 0.000 0.302 299 F C -0.235 175.263 175.800 -0.502 0.000 1.189 299 F CA -0.528 57.265 58.000 -0.344 0.000 1.346 299 F CB 0.325 39.057 39.000 -0.446 0.000 0.954 299 F HN 0.323 nan 8.300 nan 0.000 0.506 300 F N 1.081 120.974 119.950 -0.096 0.000 2.334 300 F HA 0.539 5.067 4.527 0.002 0.000 0.367 300 F C 0.680 176.296 175.800 -0.307 0.000 1.115 300 F CA -0.370 57.516 58.000 -0.189 0.000 1.116 300 F CB 0.781 39.684 39.000 -0.162 0.000 1.230 300 F HN 0.170 nan 8.300 nan 0.000 0.484 301 G N 4.524 113.200 108.800 -0.207 0.000 2.712 301 G HA2 -0.171 3.790 3.960 0.002 0.000 0.686 301 G HA3 -0.171 3.790 3.960 0.002 0.000 0.686 301 G C -2.516 171.970 174.900 -0.690 0.000 1.321 301 G CA -1.225 43.593 45.100 -0.471 0.000 0.813 301 G HN 0.413 nan 8.290 nan 0.000 0.599 302 P HA -0.090 nan 4.420 nan 0.000 0.213 302 P C 2.176 179.085 177.300 -0.652 0.000 1.170 302 P CA 2.686 65.221 63.100 -0.943 0.000 0.898 302 P CB -0.124 30.562 31.700 -1.688 0.000 0.787 303 T N 0.217 114.419 114.554 -0.587 0.000 2.620 303 T HA -0.208 4.144 4.350 0.002 0.000 0.267 303 T C 1.691 176.244 174.700 -0.245 0.000 1.044 303 T CA 1.738 63.629 62.100 -0.348 0.000 1.161 303 T CB -0.626 68.082 68.868 -0.267 0.000 0.862 303 T HN 0.127 nan 8.240 nan 0.000 0.438 304 K N 0.501 120.751 120.400 -0.249 0.000 2.116 304 K HA 0.065 4.386 4.320 0.002 0.000 0.203 304 K C 2.527 179.048 176.600 -0.133 0.000 1.052 304 K CA 0.998 57.187 56.287 -0.164 0.000 0.952 304 K CB -0.748 31.661 32.500 -0.152 0.000 0.729 304 K HN 0.338 nan 8.250 nan 0.000 0.446 305 T N 1.926 116.292 114.554 -0.314 0.000 2.904 305 T HA 0.027 4.378 4.350 0.002 0.000 0.267 305 T C 2.022 176.528 174.700 -0.323 0.000 1.059 305 T CA 0.689 62.477 62.100 -0.522 0.000 1.137 305 T CB -0.018 68.124 68.868 -1.210 0.000 0.879 305 T HN 0.096 nan 8.240 nan 0.000 0.467 306 I N 1.406 121.857 120.570 -0.199 0.000 2.233 306 I HA -0.142 4.029 4.170 0.002 0.000 0.243 306 I C 2.787 178.903 176.117 -0.001 0.000 1.093 306 I CA 1.332 62.615 61.300 -0.029 0.000 1.380 306 I CB -0.283 37.705 38.000 -0.021 0.000 1.067 306 I HN 0.430 nan 8.210 nan 0.000 0.413 307 E N 0.399 120.585 120.200 -0.023 0.000 2.204 307 E HA -0.136 4.216 4.350 0.002 0.000 0.194 307 E C 2.028 178.658 176.600 0.050 0.000 0.989 307 E CA 1.356 57.760 56.400 0.006 0.000 0.824 307 E CB -0.207 29.482 29.700 -0.019 0.000 0.756 307 E HN 0.260 nan 8.360 nan 0.000 0.477 308 S N 1.158 116.918 115.700 0.100 0.000 2.355 308 S HA -0.029 4.442 4.470 0.002 0.000 0.222 308 S C 1.944 176.657 174.600 0.188 0.000 1.031 308 S CA 0.888 59.206 58.200 0.198 0.000 0.993 308 S CB -0.251 63.206 63.200 0.429 0.000 0.859 308 S HN 0.222 nan 8.310 nan 0.000 0.453 309 L N 0.942 122.278 121.223 0.188 0.000 2.083 309 L HA -0.104 4.237 4.340 0.002 0.000 0.209 309 L C 2.709 179.639 176.870 0.099 0.000 1.083 309 L CA 1.207 56.131 54.840 0.141 0.000 0.752 309 L CB -0.372 41.740 42.059 0.088 0.000 0.899 309 L HN 0.245 nan 8.230 nan 0.000 0.433 310 R N -0.403 120.147 120.500 0.082 0.000 2.073 310 R HA -0.080 4.261 4.340 0.002 0.000 0.229 310 R C 2.396 178.736 176.300 0.067 0.000 1.120 310 R CA 1.231 57.372 56.100 0.068 0.000 0.967 310 R CB -0.357 29.974 30.300 0.051 0.000 0.862 310 R HN 0.321 nan 8.270 nan 0.000 0.436 311 A N 0.944 123.802 122.820 0.063 0.000 1.968 311 A HA -0.072 4.249 4.320 0.002 0.000 0.217 311 A C 2.081 179.704 177.584 0.065 0.000 1.169 311 A CA 0.976 53.043 52.037 0.050 0.000 0.638 311 A CB -0.308 18.716 19.000 0.039 0.000 0.812 311 A HN 0.154 nan 8.150 nan 0.000 0.446 312 I N -0.343 120.280 120.570 0.088 0.000 2.286 312 I HA -0.215 3.956 4.170 0.002 0.000 0.245 312 I C 2.908 179.186 176.117 0.268 0.000 1.104 312 I CA 0.941 62.322 61.300 0.135 0.000 1.397 312 I CB -0.233 37.804 38.000 0.062 0.000 1.072 312 I HN 0.336 nan 8.210 nan 0.000 0.417 313 A N 0.727 123.665 122.820 0.197 0.000 1.933 313 A HA -0.115 4.207 4.320 0.002 0.000 0.218 313 A C 2.488 180.209 177.584 0.228 0.000 1.175 313 A CA 1.612 53.783 52.037 0.224 0.000 0.628 313 A CB -0.723 18.346 19.000 0.115 0.000 0.814 313 A HN 0.416 nan 8.150 nan 0.000 0.444 314 A N -0.537 122.362 122.820 0.131 0.000 2.125 314 A HA -0.091 4.230 4.320 0.002 0.000 0.219 314 A C 1.876 179.476 177.584 0.026 0.000 1.156 314 A CA 1.475 53.555 52.037 0.072 0.000 0.671 314 A CB -0.243 18.777 19.000 0.034 0.000 0.794 314 A HN 0.319 nan 8.150 nan 0.000 0.459 315 K N -1.156 119.240 120.400 -0.006 0.000 2.432 315 K HA 0.143 4.464 4.320 0.002 0.000 0.196 315 K C -0.106 176.219 176.600 -0.458 0.000 1.038 315 K CA 0.400 56.538 56.287 -0.248 0.000 0.986 315 K CB -0.243 32.030 32.500 -0.378 0.000 0.782 315 K HN 0.540 nan 8.250 nan 0.000 0.485 316 F N 0.582 120.566 119.950 0.056 0.000 2.809 316 F HA 0.125 4.653 4.527 0.002 0.000 0.347 316 F C 1.025 176.880 175.800 0.092 0.000 1.306 316 F CA -1.171 56.889 58.000 0.101 0.000 1.084 316 F CB 0.034 39.144 39.000 0.184 0.000 1.761 316 F HN -0.107 nan 8.300 nan 0.000 0.485 317 D N -0.825 119.797 120.400 0.369 0.000 2.511 317 D HA 0.170 4.811 4.640 0.002 0.000 0.276 317 D C 0.429 176.822 176.300 0.155 0.000 1.220 317 D CA -0.334 53.794 54.000 0.213 0.000 1.077 317 D CB 0.114 41.045 40.800 0.219 0.000 1.126 317 D HN 0.507 nan 8.370 nan 0.000 0.583 318 E N -0.854 119.408 120.200 0.103 0.000 2.204 318 E HA -0.143 4.208 4.350 0.002 0.000 0.194 318 E C 1.884 178.512 176.600 0.047 0.000 0.989 318 E CA 1.180 57.620 56.400 0.067 0.000 0.824 318 E CB -0.114 29.615 29.700 0.049 0.000 0.756 318 E HN 0.529 nan 8.360 nan 0.000 0.477 319 S N 0.589 116.315 115.700 0.044 0.000 2.447 319 S HA -0.072 4.399 4.470 0.002 0.000 0.233 319 S C 1.872 176.433 174.600 -0.066 0.000 1.006 319 S CA 0.479 58.672 58.200 -0.011 0.000 0.957 319 S CB -0.040 63.148 63.200 -0.021 0.000 0.773 319 S HN 0.083 nan 8.310 nan 0.000 0.507 320 I N 1.696 122.237 120.570 -0.049 0.000 2.703 320 I HA 0.065 4.236 4.170 0.002 0.000 0.259 320 I C 2.573 178.684 176.117 -0.010 0.000 1.151 320 I CA 0.761 62.007 61.300 -0.091 0.000 1.470 320 I CB -1.487 36.462 38.000 -0.086 0.000 1.112 320 I HN 0.401 nan 8.210 nan 0.000 0.437 321 Q N 0.608 120.431 119.800 0.038 0.000 2.230 321 Q HA -0.132 4.210 4.340 0.002 0.000 0.202 321 Q C 2.084 178.100 176.000 0.027 0.000 0.963 321 Q CA 1.120 56.950 55.803 0.045 0.000 0.866 321 Q CB 0.092 28.864 28.738 0.056 0.000 0.931 321 Q HN 0.438 nan 8.270 nan 0.000 0.452 322 K N 0.658 121.066 120.400 0.012 0.000 2.031 322 K HA -0.069 4.252 4.320 0.002 0.000 0.205 322 K C 1.915 178.515 176.600 0.000 0.000 1.049 322 K CA 0.868 57.158 56.287 0.006 0.000 0.939 322 K CB 0.088 32.587 32.500 -0.001 0.000 0.717 322 K HN 0.002 nan 8.250 nan 0.000 0.438 323 K N 0.473 120.863 120.400 -0.018 0.000 2.147 323 K HA -0.150 4.171 4.320 0.002 0.000 0.205 323 K C 2.316 178.921 176.600 0.008 0.000 1.049 323 K CA 1.055 57.329 56.287 -0.021 0.000 0.936 323 K CB -0.248 32.213 32.500 -0.065 0.000 0.722 323 K HN 0.223 nan 8.250 nan 0.000 0.446 324 C N 1.697 121.006 119.300 0.015 0.000 2.436 324 C HA -0.101 4.361 4.460 0.002 0.000 0.277 324 C C 2.365 177.393 174.990 0.063 0.000 1.241 324 C CA 1.062 60.107 59.018 0.046 0.000 1.721 324 C CB -0.530 27.239 27.740 0.049 0.000 2.043 324 C HN 0.412 nan 8.230 nan 0.000 0.472 325 E N 0.630 120.859 120.200 0.047 0.000 2.204 325 E HA -0.137 4.214 4.350 0.002 0.000 0.194 325 E C 2.043 178.667 176.600 0.040 0.000 0.989 325 E CA 1.125 57.553 56.400 0.047 0.000 0.824 325 E CB -0.472 29.248 29.700 0.033 0.000 0.756 325 E HN 0.753 nan 8.360 nan 0.000 0.477 326 E N 0.136 120.355 120.200 0.031 0.000 2.072 326 E HA -0.082 4.269 4.350 0.002 0.000 0.190 326 E C 2.193 178.818 176.600 0.042 0.000 0.982 326 E CA 0.775 57.188 56.400 0.020 0.000 0.803 326 E CB 0.105 29.810 29.700 0.008 0.000 0.755 326 E HN 0.010 nan 8.360 nan 0.000 0.453 327 V N 1.641 121.607 119.914 0.087 0.000 2.343 327 V HA -0.257 3.864 4.120 0.002 0.000 0.247 327 V C 2.250 178.472 176.094 0.213 0.000 1.051 327 V CA 1.478 63.889 62.300 0.184 0.000 1.036 327 V CB -0.350 31.592 31.823 0.198 0.000 0.654 327 V HN 0.279 nan 8.190 nan 0.000 0.451 328 I N 0.279 120.937 120.570 0.146 0.000 2.208 328 I HA -0.270 3.901 4.170 0.002 0.000 0.245 328 I C 2.611 178.755 176.117 0.044 0.000 1.097 328 I CA 1.527 62.895 61.300 0.113 0.000 1.363 328 I CB -0.505 37.573 38.000 0.129 0.000 1.051 328 I HN 0.317 nan 8.210 nan 0.000 0.413 329 A N 0.627 123.461 122.820 0.023 0.000 1.898 329 A HA -0.249 4.072 4.320 0.002 0.000 0.216 329 A C 2.380 179.910 177.584 -0.090 0.000 1.181 329 A CA 1.825 53.844 52.037 -0.030 0.000 0.620 329 A CB -0.477 18.507 19.000 -0.027 0.000 0.819 329 A HN 0.367 nan 8.150 nan 0.000 0.442 330 K N -1.393 118.947 120.400 -0.100 0.000 2.002 330 K HA -0.180 4.141 4.320 0.002 0.000 0.209 330 K C 1.586 177.975 176.600 -0.351 0.000 1.048 330 K CA 1.891 58.038 56.287 -0.234 0.000 0.930 330 K CB -0.372 31.955 32.500 -0.287 0.000 0.714 330 K HN 0.517 nan 8.250 nan 0.000 0.438 331 Y N 0.941 121.086 120.300 -0.259 0.000 2.583 331 Y HA 0.018 4.569 4.550 0.002 0.000 0.293 331 Y C 2.173 177.840 175.900 -0.387 0.000 1.157 331 Y CA 0.629 58.503 58.100 -0.377 0.000 1.315 331 Y CB 0.100 38.044 38.460 -0.860 0.000 1.021 331 Y HN 0.124 nan 8.280 nan 0.000 0.536 332 K N 1.193 121.436 120.400 -0.262 0.000 2.026 332 K HA -0.134 4.187 4.320 0.002 0.000 0.208 332 K C -0.810 175.353 176.600 -0.728 0.000 1.048 332 K CA 1.300 57.250 56.287 -0.563 0.000 0.929 332 K CB -1.040 31.300 32.500 -0.266 0.000 0.713 332 K HN 0.158 nan 8.250 nan 0.000 0.439 333 P HA -0.190 nan 4.420 nan 0.000 0.216 333 P C 0.625 177.772 177.300 -0.256 0.000 1.153 333 P CA 1.600 64.509 63.100 -0.317 0.000 0.858 333 P CB -0.033 31.541 31.700 -0.211 0.000 0.789 334 E N -0.323 119.766 120.200 -0.184 0.000 2.028 334 E HA -0.136 4.215 4.350 0.002 0.000 0.191 334 E C 2.321 178.992 176.600 0.118 0.000 0.988 334 E CA 1.211 57.603 56.400 -0.012 0.000 0.799 334 E CB -0.621 29.121 29.700 0.071 0.000 0.755 334 E HN 0.513 nan 8.360 nan 0.000 0.447 335 W N 1.342 122.712 121.300 0.116 0.000 2.467 335 W HA -0.004 4.657 4.660 0.002 0.000 0.275 335 W C 1.039 177.679 176.519 0.201 0.000 1.239 335 W CA 0.479 57.969 57.345 0.242 0.000 1.266 335 W CB -0.384 29.191 29.460 0.191 0.000 1.112 335 W HN 0.004 nan 8.180 nan 0.000 0.576 336 E N 1.164 121.131 120.200 -0.387 0.000 2.204 336 E HA -0.100 4.252 4.350 0.002 0.000 0.194 336 E C 2.573 179.142 176.600 -0.052 0.000 0.989 336 E CA 1.214 57.413 56.400 -0.335 0.000 0.824 336 E CB -0.118 29.213 29.700 -0.615 0.000 0.756 336 E HN 0.326 nan 8.360 nan 0.000 0.477 337 A N 0.826 123.630 122.820 -0.026 0.000 1.929 337 A HA -0.087 4.235 4.320 0.002 0.000 0.216 337 A C 2.458 180.090 177.584 0.081 0.000 1.176 337 A CA 0.703 52.744 52.037 0.006 0.000 0.628 337 A CB -0.435 18.562 19.000 -0.005 0.000 0.816 337 A HN 0.086 nan 8.150 nan 0.000 0.444 338 V N 0.551 120.590 119.914 0.209 0.000 2.287 338 V HA -0.268 3.853 4.120 0.002 0.000 0.248 338 V C 2.763 179.047 176.094 0.317 0.000 1.053 338 V CA 2.211 64.691 62.300 0.301 0.000 1.027 338 V CB -1.026 31.015 31.823 0.362 0.000 0.646 338 V HN 0.577 nan 8.190 nan 0.000 0.447 339 V N -0.832 119.324 119.914 0.403 0.000 2.515 339 V HA -0.086 4.035 4.120 0.002 0.000 0.250 339 V C 2.485 178.684 176.094 0.175 0.000 1.058 339 V CA 1.713 64.224 62.300 0.352 0.000 1.064 339 V CB -1.450 30.635 31.823 0.438 0.000 0.675 339 V HN 0.392 nan 8.190 nan 0.000 0.461 340 A N 0.327 123.208 122.820 0.101 0.000 2.019 340 A HA -0.174 4.147 4.320 0.002 0.000 0.219 340 A C 2.398 179.948 177.584 -0.057 0.000 1.164 340 A CA 2.202 54.249 52.037 0.016 0.000 0.644 340 A CB -0.471 18.520 19.000 -0.016 0.000 0.805 340 A HN 0.643 nan 8.150 nan 0.000 0.449 341 K N -2.099 118.218 120.400 -0.138 0.000 2.099 341 K HA 0.016 4.337 4.320 0.002 0.000 0.203 341 K C 1.573 177.912 176.600 -0.435 0.000 1.047 341 K CA 1.104 57.161 56.287 -0.383 0.000 0.963 341 K CB -0.138 31.954 32.500 -0.679 0.000 0.759 341 K HN 0.543 nan 8.250 nan 0.000 0.451 342 Y N -0.284 120.005 120.300 -0.017 0.000 2.503 342 Y HA 0.156 4.707 4.550 0.002 0.000 0.277 342 Y C 2.308 178.193 175.900 -0.025 0.000 1.102 342 Y CA 0.143 58.213 58.100 -0.050 0.000 1.261 342 Y CB 0.226 38.609 38.460 -0.128 0.000 1.096 342 Y HN -0.021 nan 8.280 nan 0.000 0.546 343 R N 0.860 121.447 120.500 0.146 0.000 2.081 343 R HA -0.118 4.223 4.340 0.002 0.000 0.235 343 R C -0.972 175.373 176.300 0.075 0.000 1.131 343 R CA 1.525 57.697 56.100 0.120 0.000 0.960 343 R CB -1.159 29.227 30.300 0.143 0.000 0.856 343 R HN 0.180 nan 8.270 nan 0.000 0.436 344 P HA -0.158 nan 4.420 nan 0.000 0.217 344 P C 0.418 177.735 177.300 0.028 0.000 1.148 344 P CA 1.550 64.665 63.100 0.026 0.000 0.828 344 P CB -0.035 31.666 31.700 0.002 0.000 0.783 345 R N -1.391 119.132 120.500 0.037 0.000 2.240 345 R HA 0.167 4.508 4.340 0.002 0.000 0.203 345 R C 1.528 177.857 176.300 0.049 0.000 1.011 345 R CA 0.710 56.838 56.100 0.047 0.000 1.007 345 R CB -0.195 30.148 30.300 0.072 0.000 0.911 345 R HN 0.275 nan 8.270 nan 0.000 0.468 346 L N -0.259 120.995 121.223 0.051 0.000 2.966 346 L HA 0.198 4.540 4.340 0.002 0.000 0.262 346 L C 0.134 177.031 176.870 0.043 0.000 1.165 346 L CA -0.331 54.532 54.840 0.038 0.000 0.978 346 L CB 0.511 42.584 42.059 0.025 0.000 1.337 346 L HN -0.039 nan 8.230 nan 0.000 0.563 347 E N 1.143 121.371 120.200 0.047 0.000 2.529 347 E HA 0.175 4.526 4.350 0.002 0.000 0.259 347 E C 1.345 177.964 176.600 0.031 0.000 0.966 347 E CA 1.263 57.690 56.400 0.045 0.000 0.937 347 E CB 0.408 30.133 29.700 0.041 0.000 0.923 347 E HN 0.309 nan 8.360 nan 0.000 0.468 348 G N 3.716 112.534 108.800 0.030 0.000 2.196 348 G HA2 -0.297 3.664 3.960 0.002 0.000 0.268 348 G HA3 -0.297 3.664 3.960 0.002 0.000 0.268 348 G C -0.072 174.832 174.900 0.006 0.000 0.975 348 G CA 0.511 45.621 45.100 0.017 0.000 0.648 348 G HN 0.432 nan 8.290 nan 0.000 0.538 349 K N 0.491 120.897 120.400 0.009 0.000 2.298 349 K HA 0.422 4.743 4.320 0.002 0.000 0.280 349 K C 0.727 177.312 176.600 -0.025 0.000 1.032 349 K CA -0.214 56.067 56.287 -0.011 0.000 0.958 349 K CB 0.739 33.235 32.500 -0.007 0.000 0.978 349 K HN 0.389 nan 8.250 nan 0.000 0.472 350 R N 0.861 121.330 120.500 -0.053 0.000 2.265 350 R HA 0.365 4.706 4.340 0.002 0.000 0.319 350 R C -0.456 175.772 176.300 -0.120 0.000 1.006 350 R CA -0.578 55.476 56.100 -0.076 0.000 0.880 350 R CB 1.130 31.389 30.300 -0.067 0.000 1.077 350 R HN 0.195 nan 8.270 nan 0.000 0.454 351 V N 4.365 124.178 119.914 -0.168 0.000 2.459 351 V HA 0.420 4.541 4.120 0.002 0.000 0.295 351 V C -0.020 175.946 176.094 -0.215 0.000 1.029 351 V CA -0.648 61.499 62.300 -0.255 0.000 0.874 351 V CB 1.698 33.219 31.823 -0.504 0.000 0.985 351 V HN 0.711 nan 8.190 nan 0.000 0.438 352 M N 5.306 124.803 119.600 -0.171 0.000 2.227 352 M HA 0.595 5.076 4.480 0.002 0.000 0.335 352 M C -1.185 175.121 176.300 0.009 0.000 1.053 352 M CA -0.324 54.952 55.300 -0.041 0.000 0.973 352 M CB 1.655 34.254 32.600 -0.002 0.000 1.623 352 M HN 0.488 nan 8.290 nan 0.000 0.434 353 L N 2.913 124.180 121.223 0.073 0.000 2.319 353 L HA 0.624 4.965 4.340 0.002 0.000 0.267 353 L C -1.488 175.534 176.870 0.254 0.000 1.011 353 L CA -0.994 53.887 54.840 0.069 0.000 0.818 353 L CB 2.021 44.000 42.059 -0.133 0.000 1.316 353 L HN 0.585 nan 8.230 nan 0.000 0.432 354 Y N 2.032 122.344 120.300 0.020 0.000 2.252 354 Y HA 0.486 5.037 4.550 0.002 0.000 0.321 354 Y C -1.375 174.500 175.900 -0.043 0.000 1.208 354 Y CA -0.711 57.354 58.100 -0.059 0.000 1.258 354 Y CB 0.542 38.866 38.460 -0.226 0.000 1.235 354 Y HN 0.382 nan 8.280 nan 0.000 0.408 355 I N 2.089 122.307 120.570 -0.585 0.000 4.162 355 I HA 0.747 4.918 4.170 0.002 0.000 0.236 355 I C 1.323 177.007 176.117 -0.722 0.000 1.052 355 I CA -0.119 60.852 61.300 -0.550 0.000 1.457 355 I CB 0.421 38.104 38.000 -0.527 0.000 1.329 355 I HN 0.499 nan 8.210 nan 0.000 0.422 356 G N -0.782 107.623 108.800 -0.658 0.000 2.724 356 G HA2 0.383 4.344 3.960 0.002 0.000 0.217 356 G HA3 0.383 4.344 3.960 0.002 0.000 0.217 356 G C 0.922 175.094 174.900 -1.213 0.000 1.251 356 G CA 0.669 45.173 45.100 -0.993 0.000 0.867 356 G HN 0.786 nan 8.290 nan 0.000 0.590 357 G N -1.072 107.327 108.800 -0.668 0.000 4.000 357 G HA2 0.389 4.350 3.960 0.002 0.000 0.260 357 G HA3 0.389 4.350 3.960 0.002 0.000 0.260 357 G C 0.510 175.393 174.900 -0.029 0.000 1.047 357 G CA 0.664 45.587 45.100 -0.295 0.000 0.860 357 G HN 0.421 nan 8.290 nan 0.000 0.464 358 L N -1.228 119.964 121.223 -0.051 0.000 2.437 358 L HA 0.543 4.884 4.340 0.002 0.000 0.188 358 L C 2.201 178.950 176.870 -0.202 0.000 1.123 358 L CA 0.520 55.281 54.840 -0.132 0.000 0.981 358 L CB -0.221 41.708 42.059 -0.217 0.000 1.935 358 L HN -0.079 nan 8.230 nan 0.000 0.494 359 R N 0.769 121.137 120.500 -0.221 0.000 2.117 359 R HA -0.121 4.220 4.340 0.002 0.000 0.243 359 R C -0.963 175.122 176.300 -0.358 0.000 1.143 359 R CA 2.399 58.343 56.100 -0.259 0.000 0.968 359 R CB -1.511 28.649 30.300 -0.233 0.000 0.863 359 R HN 0.333 nan 8.270 nan 0.000 0.444 360 P HA -0.236 nan 4.420 nan 0.000 0.218 360 P C 0.720 177.711 177.300 -0.516 0.000 1.146 360 P CA 1.396 64.052 63.100 -0.739 0.000 0.820 360 P CB 0.027 30.810 31.700 -1.529 0.000 0.778 361 R N -1.958 118.338 120.500 -0.340 0.000 2.121 361 R HA 0.019 4.361 4.340 0.002 0.000 0.206 361 R C 2.154 178.435 176.300 -0.033 0.000 1.094 361 R CA 0.531 56.560 56.100 -0.118 0.000 1.055 361 R CB -0.509 29.810 30.300 0.032 0.000 0.964 361 R HN 0.251 nan 8.270 nan 0.000 0.473 362 H N 0.267 119.208 119.070 -0.215 0.000 2.423 362 H HA -0.067 4.490 4.556 0.002 0.000 0.297 362 H C 1.895 177.041 175.328 -0.304 0.000 1.075 362 H CA 1.623 57.551 56.048 -0.200 0.000 1.342 362 H CB 0.530 30.203 29.762 -0.149 0.000 1.395 362 H HN 0.165 nan 8.280 nan 0.000 0.530 363 V N -1.432 118.252 119.914 -0.384 0.000 3.306 363 V HA -0.063 4.058 4.120 0.002 0.000 0.264 363 V C 2.089 178.163 176.094 -0.034 0.000 1.149 363 V CA 0.609 62.638 62.300 -0.453 0.000 1.143 363 V CB -0.650 30.924 31.823 -0.415 0.000 0.767 363 V HN 0.272 nan 8.190 nan 0.000 0.476 364 I N 2.304 122.872 120.570 -0.003 0.000 2.194 364 I HA -0.170 4.001 4.170 0.002 0.000 0.246 364 I C 2.798 178.959 176.117 0.073 0.000 1.093 364 I CA 1.959 63.297 61.300 0.063 0.000 1.355 364 I CB -1.058 36.919 38.000 -0.039 0.000 1.046 364 I HN 0.453 nan 8.210 nan 0.000 0.413 365 G N 0.616 109.403 108.800 -0.021 0.000 2.491 365 G HA2 -0.297 3.664 3.960 0.002 0.000 0.218 365 G HA3 -0.297 3.664 3.960 0.002 0.000 0.218 365 G C 1.860 176.744 174.900 -0.026 0.000 1.180 365 G CA 0.977 46.049 45.100 -0.047 0.000 0.774 365 G HN 0.516 nan 8.290 nan 0.000 0.562 366 A N -0.154 122.630 122.820 -0.059 0.000 1.933 366 A HA 0.021 4.342 4.320 0.002 0.000 0.218 366 A C 2.231 179.938 177.584 0.205 0.000 1.175 366 A CA 1.550 53.567 52.037 -0.033 0.000 0.628 366 A CB -0.614 18.128 19.000 -0.430 0.000 0.814 366 A HN 0.452 nan 8.150 nan 0.000 0.444 367 Y N 0.126 120.554 120.300 0.214 0.000 2.224 367 Y HA -0.160 4.391 4.550 0.002 0.000 0.289 367 Y C 2.479 178.465 175.900 0.143 0.000 1.146 367 Y CA 1.744 59.988 58.100 0.240 0.000 1.182 367 Y CB -0.124 38.414 38.460 0.130 0.000 0.983 367 Y HN 0.416 nan 8.280 nan 0.000 0.524 368 E N -0.289 120.048 120.200 0.228 0.000 2.208 368 E HA -0.167 4.184 4.350 0.002 0.000 0.193 368 E C 1.118 177.786 176.600 0.113 0.000 0.988 368 E CA 0.975 57.453 56.400 0.131 0.000 0.828 368 E CB -0.075 29.664 29.700 0.065 0.000 0.763 368 E HN 0.488 nan 8.360 nan 0.000 0.478 369 D N 0.232 120.704 120.400 0.121 0.000 2.348 369 D HA -0.043 4.598 4.640 0.002 0.000 0.216 369 D C 1.106 177.560 176.300 0.258 0.000 0.970 369 D CA 0.717 54.788 54.000 0.118 0.000 0.889 369 D CB 0.290 41.071 40.800 -0.031 0.000 0.912 369 D HN 0.198 nan 8.370 nan 0.000 0.524 370 L N -0.703 120.676 121.223 0.259 0.000 2.965 370 L HA 0.285 4.626 4.340 0.002 0.000 0.254 370 L C 1.074 178.033 176.870 0.149 0.000 1.220 370 L CA -0.237 54.730 54.840 0.213 0.000 1.023 370 L CB 0.455 42.605 42.059 0.151 0.000 1.355 370 L HN -0.052 nan 8.230 nan 0.000 0.545 371 G N 0.844 109.726 108.800 0.137 0.000 2.249 371 G HA2 -0.281 3.681 3.960 0.002 0.000 0.273 371 G HA3 -0.281 3.681 3.960 0.002 0.000 0.273 371 G C 0.225 175.181 174.900 0.093 0.000 1.036 371 G CA 0.281 45.440 45.100 0.099 0.000 0.824 371 G HN 0.276 nan 8.290 nan 0.000 0.504 372 M N -0.233 119.444 119.600 0.129 0.000 2.367 372 M HA 0.443 4.924 4.480 0.002 0.000 0.339 372 M C 0.257 176.602 176.300 0.075 0.000 1.177 372 M CA -0.482 54.888 55.300 0.117 0.000 1.068 372 M CB 1.765 34.499 32.600 0.225 0.000 1.602 372 M HN 0.248 nan 8.290 nan 0.000 0.457 373 E N 1.902 122.111 120.200 0.015 0.000 2.151 373 E HA 0.399 4.751 4.350 0.002 0.000 0.275 373 E C -1.460 175.094 176.600 -0.078 0.000 0.936 373 E CA -0.566 55.822 56.400 -0.019 0.000 0.777 373 E CB 1.703 31.391 29.700 -0.021 0.000 1.108 373 E HN 0.460 nan 8.360 nan 0.000 0.401 374 V N 6.306 126.157 119.914 -0.105 0.000 2.339 374 V HA 0.018 4.139 4.120 0.002 0.000 0.261 374 V C 1.242 177.266 176.094 -0.118 0.000 1.058 374 V CA -0.202 61.994 62.300 -0.174 0.000 0.897 374 V CB 0.628 32.326 31.823 -0.207 0.000 1.052 374 V HN 0.679 nan 8.190 nan 0.000 0.480 375 V N 2.004 121.858 119.914 -0.101 0.000 3.541 375 V HA 0.518 4.639 4.120 0.002 0.000 0.267 375 V C 0.830 176.895 176.094 -0.048 0.000 1.213 375 V CA 0.957 63.217 62.300 -0.067 0.000 1.149 375 V CB -0.267 31.523 31.823 -0.055 0.000 0.822 375 V HN 0.800 nan 8.190 nan 0.000 0.462 376 G N -1.450 107.323 108.800 -0.045 0.000 2.768 376 G HA2 0.540 4.501 3.960 0.002 0.000 0.297 376 G HA3 0.540 4.501 3.960 0.002 0.000 0.297 376 G C -1.223 173.617 174.900 -0.099 0.000 1.430 376 G CA 0.221 45.323 45.100 0.002 0.000 1.030 376 G HN 0.252 nan 8.290 nan 0.000 0.553 377 T N -0.842 113.476 114.554 -0.393 0.000 2.821 377 T HA 0.894 5.246 4.350 0.002 0.000 0.306 377 T C -0.364 173.795 174.700 -0.903 0.000 1.313 377 T CA 0.356 62.163 62.100 -0.487 0.000 1.012 377 T CB 1.873 70.515 68.868 -0.377 0.000 1.298 377 T HN 1.962 nan 8.240 nan 0.000 0.502 378 G N 1.162 109.575 108.800 -0.645 0.000 2.519 378 G HA2 0.552 4.513 3.960 0.002 0.000 0.292 378 G HA3 0.552 4.513 3.960 0.002 0.000 0.292 378 G C -2.472 172.218 174.900 -0.351 0.000 1.507 378 G CA -0.617 44.253 45.100 -0.383 0.000 0.806 378 G HN 0.574 nan 8.290 nan 0.000 0.523 379 Y N 0.146 120.335 120.300 -0.185 0.000 2.487 379 Y HA 0.489 5.041 4.550 0.002 0.000 0.337 379 Y C 1.496 177.201 175.900 -0.325 0.000 1.076 379 Y CA -0.762 57.079 58.100 -0.433 0.000 1.115 379 Y CB 2.191 40.373 38.460 -0.463 0.000 1.235 379 Y HN 0.672 nan 8.280 nan 0.000 0.468 380 E N 1.363 121.315 120.200 -0.413 0.000 2.014 380 E HA -0.099 4.253 4.350 0.002 0.000 0.190 380 E C 0.600 177.235 176.600 0.058 0.000 0.980 380 E CA 1.414 57.751 56.400 -0.105 0.000 0.807 380 E CB -0.050 29.633 29.700 -0.029 0.000 0.770 380 E HN 0.717 nan 8.360 nan 0.000 0.451 381 F N -0.940 119.054 119.950 0.073 0.000 2.683 381 F HA 0.576 5.105 4.527 0.002 0.000 0.306 381 F C 0.284 176.133 175.800 0.081 0.000 1.102 381 F CA -0.974 57.068 58.000 0.070 0.000 1.244 381 F CB -0.082 38.955 39.000 0.062 0.000 1.029 381 F HN -0.196 nan 8.300 nan 0.000 0.545 382 A N 0.726 123.509 122.820 -0.063 0.000 2.386 382 A HA 0.498 4.819 4.320 0.002 0.000 0.248 382 A C -0.375 177.278 177.584 0.115 0.000 1.082 382 A CA -0.194 51.790 52.037 -0.087 0.000 0.789 382 A CB 0.044 18.562 19.000 -0.803 0.000 1.025 382 A HN 0.485 nan 8.150 nan 0.000 0.490 383 H N -0.176 118.862 119.070 -0.054 0.000 2.490 383 H HA 0.245 4.802 4.556 0.002 0.000 0.354 383 H C 1.160 176.550 175.328 0.104 0.000 1.365 383 H CA -0.245 55.827 56.048 0.041 0.000 1.413 383 H CB 0.359 30.149 29.762 0.047 0.000 1.631 383 H HN 0.802 nan 8.280 nan 0.000 0.607 384 N N 0.155 118.998 118.700 0.239 0.000 2.244 384 N HA -0.144 4.597 4.740 0.002 0.000 0.183 384 N C 0.693 176.291 175.510 0.147 0.000 1.016 384 N CA 1.191 54.355 53.050 0.191 0.000 0.866 384 N CB 0.088 38.634 38.487 0.098 0.000 0.980 384 N HN 0.574 nan 8.380 nan 0.000 0.430 385 D N -0.237 120.240 120.400 0.127 0.000 2.310 385 D HA -0.139 4.502 4.640 0.002 0.000 0.212 385 D C 0.662 176.946 176.300 -0.027 0.000 0.965 385 D CA 0.783 54.824 54.000 0.068 0.000 0.879 385 D CB -0.295 40.590 40.800 0.141 0.000 0.921 385 D HN 0.438 nan 8.370 nan 0.000 0.510 386 D N -0.076 120.274 120.400 -0.083 0.000 2.183 386 D HA -0.089 4.552 4.640 0.002 0.000 0.205 386 D C 1.621 177.704 176.300 -0.362 0.000 0.962 386 D CA 0.579 54.386 54.000 -0.321 0.000 0.849 386 D CB -0.181 40.190 40.800 -0.716 0.000 0.978 386 D HN 0.303 nan 8.370 nan 0.000 0.488 387 Y N 1.641 121.819 120.300 -0.203 0.000 2.457 387 Y HA -0.080 4.471 4.550 0.002 0.000 0.292 387 Y C 1.911 177.779 175.900 -0.053 0.000 1.125 387 Y CA 0.572 58.611 58.100 -0.101 0.000 1.254 387 Y CB 0.182 38.590 38.460 -0.085 0.000 1.012 387 Y HN -0.135 nan 8.280 nan 0.000 0.555 388 D N -0.285 120.158 120.400 0.071 0.000 2.183 388 D HA -0.076 4.565 4.640 0.002 0.000 0.203 388 D C 1.970 178.260 176.300 -0.017 0.000 0.969 388 D CA 0.906 54.921 54.000 0.025 0.000 0.842 388 D CB -0.154 40.649 40.800 0.005 0.000 0.957 388 D HN 0.290 nan 8.370 nan 0.000 0.484 389 R N 0.008 120.474 120.500 -0.057 0.000 2.148 389 R HA 0.014 4.355 4.340 0.002 0.000 0.223 389 R C 2.098 178.376 176.300 -0.037 0.000 1.088 389 R CA 1.070 57.127 56.100 -0.072 0.000 0.985 389 R CB -0.052 30.174 30.300 -0.124 0.000 0.880 389 R HN 0.098 nan 8.270 nan 0.000 0.451 390 T N 0.825 115.369 114.554 -0.016 0.000 2.857 390 T HA -0.060 4.291 4.350 0.002 0.000 0.266 390 T C 1.803 176.505 174.700 0.002 0.000 1.048 390 T CA 0.825 62.928 62.100 0.005 0.000 1.139 390 T CB -0.002 68.894 68.868 0.046 0.000 0.874 390 T HN 0.060 nan 8.240 nan 0.000 0.455 391 M N 1.559 121.171 119.600 0.020 0.000 2.089 391 M HA -0.171 4.310 4.480 0.002 0.000 0.257 391 M C 2.085 178.380 176.300 -0.008 0.000 1.071 391 M CA 1.852 57.160 55.300 0.013 0.000 1.096 391 M CB -0.923 31.688 32.600 0.017 0.000 1.330 391 M HN 0.266 nan 8.290 nan 0.000 0.403 392 K N -0.371 120.020 120.400 -0.016 0.000 2.097 392 K HA -0.113 4.208 4.320 0.002 0.000 0.205 392 K C 1.980 178.562 176.600 -0.030 0.000 1.050 392 K CA 0.873 57.145 56.287 -0.024 0.000 0.938 392 K CB -0.046 32.435 32.500 -0.030 0.000 0.718 392 K HN 0.291 nan 8.250 nan 0.000 0.442 393 E N 0.052 120.232 120.200 -0.034 0.000 2.112 393 E HA -0.017 4.334 4.350 0.002 0.000 0.190 393 E C 0.731 177.304 176.600 -0.044 0.000 0.979 393 E CA 0.684 57.059 56.400 -0.042 0.000 0.814 393 E CB 0.124 29.795 29.700 -0.048 0.000 0.762 393 E HN 0.210 nan 8.360 nan 0.000 0.460 394 M N 0.434 120.007 119.600 -0.044 0.000 2.255 394 M HA 0.273 4.755 4.480 0.002 0.000 0.336 394 M C 0.940 177.217 176.300 -0.037 0.000 1.135 394 M CA -0.186 55.084 55.300 -0.050 0.000 1.145 394 M CB 0.759 33.324 32.600 -0.058 0.000 1.473 394 M HN -0.105 nan 8.290 nan 0.000 0.462 395 G N 0.933 109.710 108.800 -0.038 0.000 2.563 395 G HA2 0.246 4.207 3.960 0.002 0.000 0.283 395 G HA3 0.246 4.207 3.960 0.002 0.000 0.283 395 G C -0.930 173.954 174.900 -0.027 0.000 1.309 395 G CA -0.518 44.565 45.100 -0.029 0.000 1.022 395 G HN 0.645 nan 8.290 nan 0.000 0.501 396 D N -0.900 119.487 120.400 -0.022 0.000 2.399 396 D HA 0.336 4.977 4.640 0.002 0.000 0.241 396 D C 0.940 177.227 176.300 -0.022 0.000 1.133 396 D CA 1.067 55.056 54.000 -0.019 0.000 0.890 396 D CB 0.740 41.531 40.800 -0.015 0.000 1.201 396 D HN 0.290 nan 8.370 nan 0.000 0.432 397 S N -0.331 115.356 115.700 -0.021 0.000 3.402 397 S HA -0.207 4.265 4.470 0.002 0.000 0.329 397 S C 0.430 175.011 174.600 -0.032 0.000 1.194 397 S CA 1.057 59.243 58.200 -0.023 0.000 0.951 397 S CB -2.167 61.022 63.200 -0.018 0.000 0.975 397 S HN 0.716 nan 8.310 nan 0.000 0.574 398 T N -0.278 114.253 114.554 -0.038 0.000 2.909 398 T HA 0.652 5.003 4.350 0.002 0.000 0.289 398 T C -0.046 174.617 174.700 -0.061 0.000 1.005 398 T CA -0.947 61.123 62.100 -0.050 0.000 1.084 398 T CB 1.423 70.257 68.868 -0.057 0.000 0.975 398 T HN 0.185 nan 8.240 nan 0.000 0.509 399 L N 2.802 123.985 121.223 -0.068 0.000 2.319 399 L HA 0.498 4.839 4.340 0.002 0.000 0.280 399 L C -0.763 176.020 176.870 -0.146 0.000 1.099 399 L CA -0.381 54.411 54.840 -0.079 0.000 0.828 399 L CB 0.028 42.033 42.059 -0.091 0.000 1.150 399 L HN 0.656 nan 8.230 nan 0.000 0.442 400 L N 6.507 127.653 121.223 -0.128 0.000 2.329 400 L HA 0.525 4.866 4.340 0.002 0.000 0.279 400 L C -1.353 175.485 176.870 -0.053 0.000 1.014 400 L CA -0.914 53.810 54.840 -0.193 0.000 0.814 400 L CB 1.448 43.496 42.059 -0.018 0.000 1.257 400 L HN 0.632 nan 8.230 nan 0.000 0.424 401 Y N -0.553 119.817 120.300 0.117 0.000 2.362 401 Y HA 0.467 5.018 4.550 0.002 0.000 0.326 401 Y C -1.063 174.991 175.900 0.256 0.000 1.083 401 Y CA -1.535 56.653 58.100 0.146 0.000 1.073 401 Y CB 0.985 39.519 38.460 0.122 0.000 1.211 401 Y HN 0.465 nan 8.280 nan 0.000 0.433 402 D N 2.967 123.552 120.400 0.309 0.000 2.232 402 D HA 0.256 4.897 4.640 0.002 0.000 0.242 402 D C -0.199 176.231 176.300 0.218 0.000 1.093 402 D CA 0.052 54.196 54.000 0.239 0.000 0.845 402 D CB 0.972 41.698 40.800 -0.123 0.000 1.124 402 D HN 0.731 nan 8.370 nan 0.000 0.467 403 D N 2.773 123.358 120.400 0.308 0.000 2.735 403 D HA -0.207 4.434 4.640 0.002 0.000 0.235 403 D C -0.808 175.642 176.300 0.251 0.000 1.175 403 D CA 0.285 54.467 54.000 0.303 0.000 0.683 403 D CB -0.871 40.032 40.800 0.172 0.000 1.008 403 D HN 0.180 nan 8.370 nan 0.000 0.416 404 V N 1.431 121.449 119.914 0.173 0.000 2.673 404 V HA 0.225 4.346 4.120 0.002 0.000 0.303 404 V C 1.395 177.463 176.094 -0.045 0.000 1.046 404 V CA 0.796 63.070 62.300 -0.043 0.000 1.126 404 V CB 0.858 32.398 31.823 -0.470 0.000 0.934 404 V HN 0.557 nan 8.190 nan 0.000 0.487 405 T N 3.547 118.135 114.554 0.057 0.000 2.849 405 T HA 0.374 4.725 4.350 0.002 0.000 0.284 405 T C 1.411 176.162 174.700 0.085 0.000 1.004 405 T CA -0.069 62.095 62.100 0.106 0.000 1.021 405 T CB 1.354 70.349 68.868 0.211 0.000 1.013 405 T HN 0.877 nan 8.240 nan 0.000 0.527 406 G N -0.137 108.734 108.800 0.120 0.000 2.440 406 G HA2 -0.242 3.719 3.960 0.002 0.000 0.218 406 G HA3 -0.242 3.719 3.960 0.002 0.000 0.218 406 G C 1.150 176.111 174.900 0.102 0.000 1.154 406 G CA 0.961 46.132 45.100 0.118 0.000 0.767 406 G HN 0.871 nan 8.290 nan 0.000 0.552 407 Y N 1.343 121.649 120.300 0.010 0.000 2.114 407 Y HA -0.091 4.461 4.550 0.002 0.000 0.284 407 Y C 2.723 178.535 175.900 -0.147 0.000 1.143 407 Y CA 2.224 60.298 58.100 -0.042 0.000 1.135 407 Y CB -0.319 38.143 38.460 0.004 0.000 0.980 407 Y HN 0.357 nan 8.280 nan 0.000 0.499 408 E N -0.735 119.280 120.200 -0.307 0.000 2.038 408 E HA -0.220 4.131 4.350 0.002 0.000 0.195 408 E C 2.046 178.190 176.600 -0.759 0.000 1.000 408 E CA 1.351 57.323 56.400 -0.713 0.000 0.803 408 E CB -0.459 29.016 29.700 -0.375 0.000 0.750 408 E HN 0.431 nan 8.360 nan 0.000 0.448 409 F N 1.993 121.674 119.950 -0.448 0.000 2.171 409 F HA -0.156 4.373 4.527 0.002 0.000 0.300 409 F C 2.223 177.973 175.800 -0.084 0.000 1.090 409 F CA 1.408 59.259 58.000 -0.248 0.000 1.293 409 F CB -0.299 38.637 39.000 -0.108 0.000 1.013 409 F HN 0.018 nan 8.300 nan 0.000 0.486 410 E N -0.247 119.940 120.200 -0.022 0.000 2.072 410 E HA -0.193 4.158 4.350 0.002 0.000 0.191 410 E C 1.914 178.408 176.600 -0.177 0.000 0.985 410 E CA 1.234 57.603 56.400 -0.051 0.000 0.801 410 E CB 0.030 29.661 29.700 -0.115 0.000 0.750 410 E HN 0.261 nan 8.360 nan 0.000 0.452 411 E N -0.157 119.793 120.200 -0.418 0.000 2.208 411 E HA -0.119 4.233 4.350 0.002 0.000 0.193 411 E C 1.788 178.256 176.600 -0.219 0.000 0.988 411 E CA 0.555 56.698 56.400 -0.430 0.000 0.828 411 E CB -0.171 29.076 29.700 -0.754 0.000 0.763 411 E HN 0.315 nan 8.360 nan 0.000 0.478 412 F N 0.324 120.180 119.950 -0.157 0.000 2.128 412 F HA -0.090 4.438 4.527 0.002 0.000 0.295 412 F C 2.446 178.170 175.800 -0.126 0.000 1.100 412 F CA 0.272 58.200 58.000 -0.120 0.000 1.260 412 F CB -1.124 37.803 39.000 -0.122 0.000 1.009 412 F HN -0.165 nan 8.300 nan 0.000 0.476 413 V N -0.007 119.907 119.914 0.001 0.000 2.343 413 V HA -0.305 3.816 4.120 0.002 0.000 0.247 413 V C 2.441 178.500 176.094 -0.059 0.000 1.051 413 V CA 1.921 64.148 62.300 -0.122 0.000 1.036 413 V CB -0.664 30.978 31.823 -0.302 0.000 0.654 413 V HN 0.168 nan 8.190 nan 0.000 0.451 414 K N -0.067 120.310 120.400 -0.037 0.000 2.074 414 K HA -0.237 4.084 4.320 0.002 0.000 0.209 414 K C 2.278 178.868 176.600 -0.017 0.000 1.048 414 K CA 1.817 58.087 56.287 -0.028 0.000 0.926 414 K CB -0.185 32.286 32.500 -0.047 0.000 0.713 414 K HN 0.246 nan 8.250 nan 0.000 0.444 415 R N 0.044 120.544 120.500 -0.000 0.000 2.052 415 R HA 0.127 4.468 4.340 0.002 0.000 0.224 415 R C 1.938 178.241 176.300 0.005 0.000 1.149 415 R CA 1.154 57.262 56.100 0.013 0.000 0.962 415 R CB -0.390 29.936 30.300 0.044 0.000 0.856 415 R HN 0.109 nan 8.270 nan 0.000 0.433 416 I N 1.838 122.414 120.570 0.010 0.000 2.530 416 I HA -0.195 3.977 4.170 0.002 0.000 0.257 416 I C 0.138 176.236 176.117 -0.032 0.000 1.179 416 I CA 1.071 62.365 61.300 -0.010 0.000 1.440 416 I CB -0.984 37.010 38.000 -0.010 0.000 1.087 416 I HN 0.300 nan 8.210 nan 0.000 0.440 417 K N 0.605 120.980 120.400 -0.042 0.000 3.777 417 K HA -0.163 4.158 4.320 0.002 0.000 0.276 417 K C -2.116 174.437 176.600 -0.078 0.000 0.877 417 K CA -0.195 56.058 56.287 -0.057 0.000 0.724 417 K CB -1.348 31.129 32.500 -0.038 0.000 1.589 417 K HN 0.355 nan 8.250 nan 0.000 0.444 418 P HA 0.024 nan 4.420 nan 0.000 0.274 418 P C 0.007 177.222 177.300 -0.142 0.000 1.246 418 P CA -0.147 62.877 63.100 -0.126 0.000 0.795 418 P CB 0.634 32.230 31.700 -0.173 0.000 1.006 419 D N -0.322 119.998 120.400 -0.133 0.000 2.305 419 D HA 0.098 4.739 4.640 0.002 0.000 0.206 419 D C 0.434 176.617 176.300 -0.193 0.000 0.974 419 D CA 0.958 54.871 54.000 -0.144 0.000 0.871 419 D CB 0.570 41.312 40.800 -0.097 0.000 0.947 419 D HN 0.182 nan 8.370 nan 0.000 0.516 420 L N 1.236 122.343 121.223 -0.193 0.000 2.482 420 L HA 0.314 4.655 4.340 0.002 0.000 0.263 420 L C -1.686 175.033 176.870 -0.251 0.000 0.957 420 L CA -0.578 54.137 54.840 -0.209 0.000 0.836 420 L CB 2.800 44.775 42.059 -0.139 0.000 1.324 420 L HN -0.277 nan 8.230 nan 0.000 0.406 421 I N 2.678 123.065 120.570 -0.305 0.000 2.433 421 I HA 0.460 4.631 4.170 0.002 0.000 0.292 421 I C 0.453 176.220 176.117 -0.583 0.000 1.001 421 I CA -0.437 60.631 61.300 -0.386 0.000 1.119 421 I CB 1.680 39.395 38.000 -0.476 0.000 1.289 421 I HN 0.660 nan 8.210 nan 0.000 0.438 422 G N 3.245 111.812 108.800 -0.389 0.000 2.744 422 G HA2 0.529 4.490 3.960 0.002 0.000 0.309 422 G HA3 0.529 4.490 3.960 0.002 0.000 0.309 422 G C -0.461 174.355 174.900 -0.140 0.000 1.328 422 G CA -0.125 44.754 45.100 -0.369 0.000 1.034 422 G HN 0.614 nan 8.290 nan 0.000 0.518 423 S N 0.982 116.596 115.700 -0.144 0.000 3.642 423 S HA 0.876 5.347 4.470 0.002 0.000 0.312 423 S C 0.673 175.636 174.600 0.606 0.000 1.117 423 S CA 0.215 58.679 58.200 0.441 0.000 1.104 423 S CB 0.737 64.442 63.200 0.841 0.000 1.397 423 S HN 0.937 nan 8.310 nan 0.000 0.756 424 G N 0.586 109.740 108.800 0.590 0.000 2.642 424 G HA2 0.496 4.457 3.960 0.002 0.000 0.291 424 G HA3 0.496 4.457 3.960 0.002 0.000 0.291 424 G C 0.507 175.520 174.900 0.189 0.000 1.345 424 G CA -0.324 44.919 45.100 0.239 0.000 1.043 424 G HN 0.572 nan 8.290 nan 0.000 0.528 425 I N -0.657 119.918 120.570 0.010 0.000 2.394 425 I HA -0.002 4.170 4.170 0.002 0.000 0.251 425 I C 2.338 178.445 176.117 -0.017 0.000 1.136 425 I CA 1.334 62.622 61.300 -0.019 0.000 1.425 425 I CB -0.061 37.971 38.000 0.052 0.000 1.079 425 I HN 0.438 nan 8.210 nan 0.000 0.425 426 K N 0.024 120.447 120.400 0.038 0.000 2.555 426 K HA -0.074 4.247 4.320 0.002 0.000 0.193 426 K C 1.195 177.816 176.600 0.035 0.000 1.032 426 K CA 0.709 57.032 56.287 0.060 0.000 1.004 426 K CB 0.138 32.688 32.500 0.083 0.000 0.804 426 K HN 0.326 nan 8.250 nan 0.000 0.496 427 E N 0.046 120.253 120.200 0.013 0.000 2.364 427 E HA 0.011 4.363 4.350 0.002 0.000 0.203 427 E C 1.368 177.691 176.600 -0.462 0.000 0.888 427 E CA 0.238 56.644 56.400 0.010 0.000 0.989 427 E CB 0.190 30.227 29.700 0.561 0.000 0.985 427 E HN 0.062 nan 8.360 nan 0.000 0.499 428 K N 0.553 120.383 120.400 -0.949 0.000 2.015 428 K HA -0.186 4.136 4.320 0.002 0.000 0.216 428 K C 1.271 177.242 176.600 -1.048 0.000 1.052 428 K CA 1.842 57.057 56.287 -1.786 0.000 0.937 428 K CB -0.298 31.304 32.500 -1.497 0.000 0.719 428 K HN 0.128 nan 8.250 nan 0.000 0.446 429 F N 0.465 120.218 119.950 -0.330 0.000 2.558 429 F HA 0.047 4.575 4.527 0.002 0.000 0.298 429 F C 1.910 177.587 175.800 -0.205 0.000 1.119 429 F CA 0.111 58.005 58.000 -0.177 0.000 1.451 429 F CB -0.038 38.898 39.000 -0.107 0.000 1.091 429 F HN 0.016 nan 8.300 nan 0.000 0.563 430 I N -0.521 119.895 120.570 -0.257 0.000 2.133 430 I HA -0.288 3.883 4.170 0.002 0.000 0.238 430 I C 2.009 177.871 176.117 -0.425 0.000 1.074 430 I CA 1.708 62.747 61.300 -0.435 0.000 1.342 430 I CB -0.519 36.995 38.000 -0.811 0.000 1.053 430 I HN 0.047 nan 8.210 nan 0.000 0.404 431 F N 0.659 120.554 119.950 -0.092 0.000 2.325 431 F HA -0.146 4.382 4.527 0.002 0.000 0.299 431 F C 2.677 178.496 175.800 0.030 0.000 1.090 431 F CA 0.697 58.669 58.000 -0.046 0.000 1.392 431 F CB -0.383 38.618 39.000 0.002 0.000 1.053 431 F HN 0.082 nan 8.300 nan 0.000 0.521 432 Q N 0.534 120.467 119.800 0.221 0.000 2.167 432 Q HA -0.184 4.157 4.340 0.002 0.000 0.202 432 Q C 1.945 178.152 176.000 0.345 0.000 0.970 432 Q CA 1.172 57.208 55.803 0.388 0.000 0.855 432 Q CB -0.196 28.784 28.738 0.403 0.000 0.911 432 Q HN 0.438 nan 8.270 nan 0.000 0.438 433 K N 0.123 120.632 120.400 0.181 0.000 2.217 433 K HA -0.009 4.312 4.320 0.002 0.000 0.202 433 K C 1.720 178.388 176.600 0.113 0.000 1.051 433 K CA 0.830 57.190 56.287 0.121 0.000 0.952 433 K CB 0.107 32.637 32.500 0.049 0.000 0.736 433 K HN 0.202 nan 8.250 nan 0.000 0.453 434 M N -0.713 118.957 119.600 0.116 0.000 2.618 434 M HA 0.056 4.537 4.480 0.002 0.000 0.240 434 M C 0.903 177.279 176.300 0.126 0.000 1.123 434 M CA 0.710 56.072 55.300 0.103 0.000 1.060 434 M CB 0.646 33.312 32.600 0.112 0.000 1.535 434 M HN 0.420 nan 8.290 nan 0.000 0.507 435 G N 0.924 109.851 108.800 0.213 0.000 2.176 435 G HA2 -0.188 3.774 3.960 0.002 0.000 0.253 435 G HA3 -0.188 3.774 3.960 0.002 0.000 0.253 435 G C 0.046 174.936 174.900 -0.016 0.000 0.979 435 G CA -0.445 44.813 45.100 0.263 0.000 0.641 435 G HN 0.349 nan 8.290 nan 0.000 0.530 436 I N 1.503 122.012 120.570 -0.102 0.000 2.352 436 I HA 0.303 4.474 4.170 0.002 0.000 0.290 436 I C -1.911 173.836 176.117 -0.616 0.000 1.036 436 I CA -3.213 57.916 61.300 -0.286 0.000 1.336 436 I CB 0.289 38.213 38.000 -0.125 0.000 1.407 436 I HN -0.166 nan 8.210 nan 0.000 0.497 437 P HA 0.060 nan 4.420 nan 0.000 0.264 437 P C -0.893 176.272 177.300 -0.225 0.000 1.183 437 P CA 0.471 63.030 63.100 -0.901 0.000 0.763 437 P CB 0.295 31.539 31.700 -0.759 0.000 0.807 438 F N 3.547 123.432 119.950 -0.107 0.000 2.561 438 F HA 0.523 5.051 4.527 0.002 0.000 0.313 438 F C -0.377 175.472 175.800 0.081 0.000 1.126 438 F CA -0.781 57.226 58.000 0.012 0.000 0.918 438 F CB 1.578 40.620 39.000 0.070 0.000 1.199 438 F HN 0.038 nan 8.300 nan 0.000 0.444 439 R N 4.178 124.514 120.500 -0.273 0.000 2.513 439 R HA 0.267 4.608 4.340 0.002 0.000 0.301 439 R C -0.992 175.190 176.300 -0.196 0.000 0.968 439 R CA -0.833 55.240 56.100 -0.045 0.000 0.872 439 R CB 1.864 32.195 30.300 0.052 0.000 1.177 439 R HN 0.765 nan 8.270 nan 0.000 0.444 440 E N 3.133 123.438 120.200 0.174 0.000 2.324 440 E HA 0.081 4.432 4.350 0.002 0.000 0.271 440 E C 0.511 177.251 176.600 0.234 0.000 1.028 440 E CA 0.052 56.600 56.400 0.247 0.000 0.890 440 E CB 0.758 30.562 29.700 0.172 0.000 1.004 440 E HN 0.182 nan 8.360 nan 0.000 0.431 441 M N 2.668 122.401 119.600 0.221 0.000 2.475 441 M HA 0.103 4.584 4.480 0.002 0.000 0.283 441 M C 0.663 176.870 176.300 -0.155 0.000 1.165 441 M CA 0.338 55.785 55.300 0.245 0.000 0.976 441 M CB -0.504 32.213 32.600 0.195 0.000 1.428 441 M HN 0.556 nan 8.290 nan 0.000 0.495 442 H N -0.841 118.068 119.070 -0.270 0.000 2.336 442 H HA 0.178 4.735 4.556 0.002 0.000 0.307 442 H C 1.678 176.605 175.328 -0.668 0.000 1.056 442 H CA 1.437 57.229 56.048 -0.428 0.000 1.471 442 H CB 0.300 29.953 29.762 -0.182 0.000 1.502 442 H HN 0.359 nan 8.280 nan 0.000 0.630 443 S N -0.382 115.163 115.700 -0.258 0.000 2.593 443 S HA -0.091 4.380 4.470 0.002 0.000 0.217 443 S C 0.307 174.752 174.600 -0.259 0.000 0.966 443 S CA -0.071 57.946 58.200 -0.304 0.000 0.914 443 S CB -0.674 62.401 63.200 -0.207 0.000 0.776 443 S HN 0.664 nan 8.310 nan 0.000 0.523 444 W N 0.906 122.044 121.300 -0.269 0.000 3.520 444 W HA -0.204 4.457 4.660 0.002 0.000 0.305 444 W C -0.087 176.257 176.519 -0.292 0.000 1.150 444 W CA 0.050 57.151 57.345 -0.406 0.000 0.656 444 W CB -2.388 26.658 29.460 -0.689 0.000 2.198 444 W HN 0.312 nan 8.180 nan 0.000 1.417 445 D N -0.716 119.568 120.400 -0.194 0.000 2.689 445 D HA -0.254 4.388 4.640 0.002 0.000 0.237 445 D C 0.219 176.280 176.300 -0.398 0.000 1.148 445 D CA 2.247 55.976 54.000 -0.450 0.000 0.656 445 D CB -1.438 39.349 40.800 -0.021 0.000 1.050 445 D HN 0.670 nan 8.370 nan 0.000 0.426 446 Y N -3.281 117.122 120.300 0.171 0.000 4.409 446 Y HA -0.331 4.220 4.550 0.002 0.000 0.228 446 Y C 1.354 177.356 175.900 0.170 0.000 1.108 446 Y CA 0.845 59.042 58.100 0.162 0.000 1.955 446 Y CB -2.029 36.526 38.460 0.158 0.000 1.615 446 Y HN 0.233 nan 8.280 nan 0.000 0.665 447 S N -0.736 115.072 115.700 0.181 0.000 3.884 447 S HA 0.815 5.286 4.470 0.002 0.000 0.212 447 S C 0.863 175.539 174.600 0.126 0.000 1.037 447 S CA 0.515 58.823 58.200 0.179 0.000 1.611 447 S CB 0.952 64.268 63.200 0.192 0.000 0.898 447 S HN 1.560 nan 8.310 nan 0.000 0.672 448 G N 1.339 110.177 108.800 0.062 0.000 2.814 448 G HA2 -0.108 3.854 3.960 0.002 0.000 0.677 448 G HA3 -0.108 3.854 3.960 0.002 0.000 0.677 448 G C -3.042 171.926 174.900 0.113 0.000 1.429 448 G CA -0.391 44.684 45.100 -0.040 0.000 0.868 448 G HN 0.603 nan 8.290 nan 0.000 0.553 449 P HA 0.173 nan 4.420 nan 0.000 0.271 449 P C -0.177 177.186 177.300 0.105 0.000 1.218 449 P CA 0.133 63.262 63.100 0.048 0.000 0.780 449 P CB 0.446 32.196 31.700 0.082 0.000 0.901 450 Y N -1.006 119.052 120.300 -0.403 0.000 2.467 450 Y HA 0.106 4.657 4.550 0.002 0.000 0.250 450 Y C 1.450 177.213 175.900 -0.229 0.000 1.155 450 Y CA -0.434 57.421 58.100 -0.408 0.000 1.249 450 Y CB 0.367 38.303 38.460 -0.874 0.000 1.146 450 Y HN 0.434 nan 8.280 nan 0.000 0.524 451 H N -0.295 118.666 119.070 -0.181 0.000 2.505 451 H HA 0.417 4.974 4.556 0.002 0.000 0.351 451 H C 0.751 175.946 175.328 -0.221 0.000 1.151 451 H CA -0.033 55.830 56.048 -0.308 0.000 1.339 451 H CB 1.281 30.897 29.762 -0.242 0.000 1.483 451 H HN 0.376 nan 8.280 nan 0.000 0.558 452 G N 0.697 109.333 108.800 -0.273 0.000 2.642 452 G HA2 -0.328 3.634 3.960 0.002 0.000 0.231 452 G HA3 -0.328 3.634 3.960 0.002 0.000 0.231 452 G C 0.007 174.609 174.900 -0.496 0.000 1.338 452 G CA 0.230 44.974 45.100 -0.592 0.000 0.883 452 G HN 0.473 nan 8.290 nan 0.000 0.570 453 F N 1.202 120.980 119.950 -0.287 0.000 2.118 453 F HA 0.133 4.661 4.527 0.002 0.000 0.293 453 F C 2.573 178.446 175.800 0.121 0.000 1.102 453 F CA 1.962 59.905 58.000 -0.095 0.000 1.247 453 F CB -0.397 38.503 39.000 -0.166 0.000 1.017 453 F HN 0.529 nan 8.300 nan 0.000 0.475 454 D N -1.144 119.429 120.400 0.288 0.000 2.319 454 D HA 0.086 4.727 4.640 0.002 0.000 0.230 454 D C 1.902 178.307 176.300 0.175 0.000 1.094 454 D CA 0.652 54.812 54.000 0.266 0.000 0.856 454 D CB -0.735 40.233 40.800 0.281 0.000 0.915 454 D HN 0.271 nan 8.370 nan 0.000 0.517 455 G N -0.562 108.317 108.800 0.131 0.000 2.662 455 G HA2 -0.086 3.875 3.960 0.002 0.000 0.212 455 G HA3 -0.086 3.875 3.960 0.002 0.000 0.212 455 G C 0.953 175.891 174.900 0.064 0.000 1.141 455 G CA -0.217 44.936 45.100 0.088 0.000 0.797 455 G HN 0.263 nan 8.290 nan 0.000 0.531 456 F N 2.603 122.543 119.950 -0.017 0.000 2.259 456 F HA 0.197 4.726 4.527 0.002 0.000 0.298 456 F C 2.565 178.394 175.800 0.048 0.000 1.088 456 F CA 0.911 58.919 58.000 0.012 0.000 1.358 456 F CB -0.138 38.890 39.000 0.047 0.000 1.040 456 F HN 0.188 nan 8.300 nan 0.000 0.505 457 A N 0.987 123.797 122.820 -0.018 0.000 1.883 457 A HA -0.164 4.157 4.320 0.002 0.000 0.217 457 A C 2.305 179.748 177.584 -0.236 0.000 1.186 457 A CA 2.131 54.106 52.037 -0.104 0.000 0.624 457 A CB -1.225 17.826 19.000 0.085 0.000 0.822 457 A HN 0.474 nan 8.150 nan 0.000 0.444 458 I N -1.779 118.706 120.570 -0.141 0.000 2.252 458 I HA -0.205 3.966 4.170 0.002 0.000 0.245 458 I C 2.366 178.265 176.117 -0.363 0.000 1.102 458 I CA 1.518 62.731 61.300 -0.145 0.000 1.385 458 I CB -0.434 37.584 38.000 0.029 0.000 1.064 458 I HN 0.445 nan 8.210 nan 0.000 0.414 459 F N 2.252 121.725 119.950 -0.795 0.000 2.095 459 F HA -0.271 4.257 4.527 0.002 0.000 0.298 459 F C 2.446 177.729 175.800 -0.862 0.000 1.104 459 F CA 1.573 58.811 58.000 -1.270 0.000 1.232 459 F CB -0.521 37.749 39.000 -1.215 0.000 0.987 459 F HN 0.002 nan 8.300 nan 0.000 0.475 460 A N 1.067 123.250 122.820 -1.062 0.000 1.930 460 A HA -0.166 4.156 4.320 0.002 0.000 0.217 460 A C 2.210 179.071 177.584 -1.205 0.000 1.175 460 A CA 1.720 53.056 52.037 -1.168 0.000 0.627 460 A CB -0.796 17.592 19.000 -1.019 0.000 0.815 460 A HN 0.610 nan 8.150 nan 0.000 0.443 461 R N -0.582 119.219 120.500 -1.165 0.000 2.148 461 R HA -0.026 4.315 4.340 0.002 0.000 0.223 461 R C 1.041 177.039 176.300 -0.502 0.000 1.088 461 R CA 1.569 57.054 56.100 -1.025 0.000 0.985 461 R CB -0.471 29.480 30.300 -0.582 0.000 0.880 461 R HN 0.264 nan 8.270 nan 0.000 0.451 462 D N 0.551 120.689 120.400 -0.436 0.000 2.123 462 D HA -0.056 4.585 4.640 0.002 0.000 0.200 462 D C 1.832 177.989 176.300 -0.239 0.000 0.976 462 D CA 1.150 55.015 54.000 -0.225 0.000 0.831 462 D CB -0.007 40.739 40.800 -0.091 0.000 0.974 462 D HN 0.188 nan 8.370 nan 0.000 0.469 463 M N 0.507 119.836 119.600 -0.451 0.000 2.159 463 M HA -0.115 4.366 4.480 0.002 0.000 0.263 463 M C 1.792 177.968 176.300 -0.206 0.000 1.063 463 M CA 1.135 56.227 55.300 -0.346 0.000 1.110 463 M CB -0.946 31.320 32.600 -0.557 0.000 1.374 463 M HN -0.018 nan 8.290 nan 0.000 0.411 464 D N 0.630 120.884 120.400 -0.245 0.000 2.097 464 D HA -0.171 4.471 4.640 0.002 0.000 0.197 464 D C 2.145 178.448 176.300 0.005 0.000 0.984 464 D CA 1.692 55.645 54.000 -0.078 0.000 0.826 464 D CB -0.112 40.682 40.800 -0.009 0.000 0.973 464 D HN 0.444 nan 8.370 nan 0.000 0.460 465 M N -1.123 118.469 119.600 -0.013 0.000 2.159 465 M HA -0.076 4.405 4.480 0.002 0.000 0.263 465 M C 1.732 178.109 176.300 0.130 0.000 1.063 465 M CA 1.722 57.058 55.300 0.061 0.000 1.110 465 M CB -0.452 32.177 32.600 0.049 0.000 1.374 465 M HN -0.180 nan 8.290 nan 0.000 0.411 466 T N 1.374 116.004 114.554 0.126 0.000 2.852 466 T HA 0.092 4.443 4.350 0.002 0.000 0.256 466 T C 1.829 176.683 174.700 0.257 0.000 1.038 466 T CA 1.183 63.432 62.100 0.247 0.000 1.141 466 T CB -0.207 68.773 68.868 0.188 0.000 0.869 466 T HN 0.415 nan 8.240 nan 0.000 0.439 467 L N 1.272 122.541 121.223 0.076 0.000 2.017 467 L HA -0.014 4.327 4.340 0.002 0.000 0.208 467 L C 1.141 178.070 176.870 0.099 0.000 1.073 467 L CA 1.286 56.122 54.840 -0.007 0.000 0.745 467 L CB -0.100 41.936 42.059 -0.039 0.000 0.894 467 L HN 0.169 nan 8.230 nan 0.000 0.432 468 N N 0.488 119.269 118.700 0.136 0.000 2.327 468 N HA 0.013 4.754 4.740 0.002 0.000 0.231 468 N C -0.310 175.319 175.510 0.198 0.000 1.130 468 N CA 0.034 53.177 53.050 0.155 0.000 0.845 468 N CB -0.382 38.165 38.487 0.100 0.000 1.073 468 N HN 0.343 nan 8.380 nan 0.000 0.496 469 N N 1.679 120.568 118.700 0.315 0.000 2.518 469 N HA 0.063 4.804 4.740 0.002 0.000 0.266 469 N C -1.608 173.966 175.510 0.108 0.000 1.196 469 N CA -1.235 51.937 53.050 0.203 0.000 0.947 469 N CB 1.789 40.392 38.487 0.194 0.000 1.098 469 N HN -0.098 nan 8.380 nan 0.000 0.450 470 P HA -0.137 nan 4.420 nan 0.000 0.217 470 P C 1.397 178.632 177.300 -0.109 0.000 1.148 470 P CA 1.090 64.179 63.100 -0.019 0.000 0.828 470 P CB -0.033 31.655 31.700 -0.020 0.000 0.783 471 C N -3.824 115.303 119.300 -0.289 0.000 2.419 471 C HA -0.027 4.434 4.460 0.002 0.000 0.281 471 C C 2.346 177.063 174.990 -0.455 0.000 1.336 471 C CA -0.454 58.307 59.018 -0.428 0.000 1.770 471 C CB -2.322 25.042 27.740 -0.627 0.000 1.929 471 C HN 0.270 nan 8.230 nan 0.000 0.509 472 W N 1.614 122.934 121.300 0.033 0.000 2.425 472 W HA 0.045 4.706 4.660 0.003 0.000 0.277 472 W C 2.293 178.821 176.519 0.015 0.000 1.231 472 W CA 0.583 57.945 57.345 0.029 0.000 1.248 472 W CB -0.206 29.274 29.460 0.033 0.000 1.117 472 W HN 0.154 nan 8.180 nan 0.000 0.568 473 K N 0.271 120.755 120.400 0.140 0.000 2.432 473 K HA -0.040 4.281 4.320 0.002 0.000 0.196 473 K C 1.079 177.699 176.600 0.032 0.000 1.038 473 K CA 0.799 57.138 56.287 0.087 0.000 0.986 473 K CB -0.115 32.424 32.500 0.065 0.000 0.782 473 K HN -0.169 nan 8.250 nan 0.000 0.485 474 K N -0.004 120.394 120.400 -0.003 0.000 2.500 474 K HA 0.201 4.522 4.320 0.002 0.000 0.206 474 K C 0.367 176.939 176.600 -0.047 0.000 1.034 474 K CA 0.053 56.317 56.287 -0.039 0.000 1.179 474 K CB 0.220 32.681 32.500 -0.065 0.000 0.884 474 K HN -0.065 nan 8.250 nan 0.000 0.493 475 L N 0.128 121.345 121.223 -0.009 0.000 2.446 475 L HA 0.126 4.467 4.340 0.002 0.000 0.219 475 L C 0.495 177.332 176.870 -0.055 0.000 1.116 475 L CA 0.794 55.627 54.840 -0.011 0.000 0.844 475 L CB 0.152 42.251 42.059 0.066 0.000 0.970 475 L HN 0.187 nan 8.230 nan 0.000 0.457 476 Q N 0.253 120.005 119.800 -0.080 0.000 2.316 476 Q HA 0.588 4.929 4.340 0.002 0.000 0.264 476 Q C -0.405 175.447 176.000 -0.248 0.000 0.987 476 Q CA -0.706 55.012 55.803 -0.142 0.000 0.852 476 Q CB 1.716 30.394 28.738 -0.099 0.000 1.287 476 Q HN 0.213 nan 8.270 nan 0.000 0.448 477 A N 5.635 128.197 122.820 -0.430 0.000 2.520 477 A HA 0.176 4.497 4.320 0.002 0.000 0.245 477 A C -1.589 175.585 177.584 -0.683 0.000 1.072 477 A CA -0.980 50.556 52.037 -0.835 0.000 0.761 477 A CB -0.073 17.996 19.000 -1.552 0.000 1.004 477 A HN 0.775 nan 8.150 nan 0.000 0.499 478 P HA -0.165 nan 4.420 nan 0.000 0.222 478 P C 0.705 178.031 177.300 0.043 0.000 1.142 478 P CA 1.706 64.746 63.100 -0.100 0.000 0.788 478 P CB -0.141 31.595 31.700 0.061 0.000 0.767 479 W N -0.416 120.890 121.300 0.010 0.000 3.290 479 W HA 0.374 5.035 4.660 0.001 0.000 0.287 479 W C 1.293 177.818 176.519 0.010 0.000 1.288 479 W CA -0.212 57.139 57.345 0.009 0.000 1.725 479 W CB -0.964 28.500 29.460 0.007 0.000 1.103 479 W HN -0.105 nan 8.180 nan 0.000 0.670 480 E N 0.999 121.109 120.200 -0.151 0.000 2.400 480 E HA 0.154 4.505 4.350 0.002 0.000 0.195 480 E C 1.609 178.187 176.600 -0.036 0.000 1.012 480 E CA 0.163 56.507 56.400 -0.094 0.000 0.875 480 E CB 0.086 29.670 29.700 -0.193 0.000 0.859 480 E HN 0.226 nan 8.360 nan 0.000 0.498 481 A N 0.000 122.800 122.820 -0.033 0.000 2.254 481 A HA 0.000 4.321 4.320 0.002 0.000 0.244 481 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 481 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 481 A HN 0.000 nan 8.150 nan 0.000 0.486