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 1kv3_1_D DATA FIRST_RESID 15 DATA SEQUENCE ETNGRDHHTA DLCREKLVVR RGQPFWLTLX XXXXXXXXXX XSLTFSVVTG DATA SEQUENCE PAPSQEAGTK ARFPLRDAVE EGDWTATVVD QQDCTLSLQL TTPANAPIGL DATA SEQUENCE YRLSLEASXX XXXXXXXXGH FILLFNAWCP ADAVYLDSEE ERQEYVLTQQ DATA SEQUENCE GFIYQGSAKF IKNIPWNFGQ FQDGILDICL ILLDVNPKFL KNAGRDCSRR DATA SEQUENCE SSPVYVGRVG SGMVNCNDDQ GVLLGRWDNN YGDGVSPMSW IGSVDILRRW DATA SEQUENCE KNHGCQRVKY GQCWVFAAVA CTVLRCLGIP TRVVTNYNSA HDQNSNLLIE DATA SEQUENCE YFRNEFGEIQ GDKSEMIWNF HCWVESWMTR PDLQPGYEGW QALDPTPQEK DATA SEQUENCE SEGTYCCGPV PVRAIKEGDL STKYDAPFVF AEVNADVVDW IQQDDGSVHK DATA SEQUENCE SINRSLIVGL KISTKSVGRD EREDITHTYK YPEGSSEERE AFTRANHLNK DATA SEQUENCE LAEKEETGMA MRIRVGQSMN MGSDFDVFAH ITNNTAEEYV CRLLLCARTV DATA SEQUENCE SYNGILGPEC GTKYLLNLTL EPFSEKSVPL CILYEKYRDC LTESNLIKVR DATA SEQUENCE ALLVEPVINS YLLAERDLYL ENPEIKIRIL GEPKQKRKLV AEVSLQNPLP DATA SEQUENCE VALEGCTFTV EGAGLTEEQK TVEIPDPVEA GEEVKVRMDL VPLHMGLHKL DATA SEQUENCE VVNFESDKLK AVKGFRNVII GPA 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 15 E HA 0.000 nan 4.350 nan 0.000 0.291 15 E C 0.000 176.605 176.600 0.008 0.000 1.382 15 E CA 0.000 56.410 56.400 0.017 0.000 0.976 15 E CB 0.000 29.705 29.700 0.008 0.000 0.812 16 T N -0.891 113.666 114.554 0.005 0.000 3.155 16 T HA 0.049 4.399 4.350 -0.000 0.000 0.264 16 T C 0.901 175.632 174.700 0.053 0.000 1.160 16 T CA 1.160 63.253 62.100 -0.012 0.000 1.075 16 T CB -0.520 68.297 68.868 -0.085 0.000 0.921 16 T HN 0.174 nan 8.240 nan 0.000 0.533 17 N N 1.329 120.086 118.700 0.095 0.000 2.207 17 N HA 0.068 4.808 4.740 -0.000 0.000 0.182 17 N C 2.213 177.764 175.510 0.067 0.000 1.020 17 N CA 1.199 54.344 53.050 0.159 0.000 0.858 17 N CB -0.889 37.630 38.487 0.055 0.000 0.991 17 N HN 0.590 nan 8.380 nan 0.000 0.427 18 G N 1.939 110.728 108.800 -0.019 0.000 2.545 18 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.217 18 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.217 18 G C 1.512 176.359 174.900 -0.088 0.000 1.218 18 G CA 0.915 45.978 45.100 -0.060 0.000 0.787 18 G HN 0.310 nan 8.290 nan 0.000 0.571 19 R N 0.421 120.877 120.500 -0.074 0.000 2.139 19 R HA -0.132 4.208 4.340 -0.000 0.000 0.243 19 R C 1.869 178.038 176.300 -0.220 0.000 1.145 19 R CA 2.035 58.069 56.100 -0.111 0.000 0.976 19 R CB -0.357 29.905 30.300 -0.063 0.000 0.866 19 R HN 0.280 nan 8.270 nan 0.000 0.449 20 D N -0.972 119.339 120.400 -0.149 0.000 2.162 20 D HA -0.050 4.590 4.640 -0.000 0.000 0.203 20 D C 1.260 177.229 176.300 -0.551 0.000 0.967 20 D CA 1.017 54.877 54.000 -0.232 0.000 0.840 20 D CB -0.037 40.788 40.800 0.042 0.000 0.972 20 D HN 0.408 nan 8.370 nan 0.000 0.482 21 H N -0.739 118.064 119.070 -0.444 0.000 2.539 21 H HA 0.104 4.660 4.556 -0.000 0.000 0.269 21 H C -0.219 174.799 175.328 -0.516 0.000 0.980 21 H CA 0.170 55.959 56.048 -0.431 0.000 1.152 21 H CB 0.109 29.740 29.762 -0.219 0.000 1.407 21 H HN 0.316 nan 8.280 nan 0.000 0.564 22 H N 0.297 119.158 119.070 -0.349 0.000 2.748 22 H HA -0.141 4.415 4.556 -0.000 0.000 0.322 22 H C 0.343 175.502 175.328 -0.283 0.000 1.208 22 H CA 0.884 56.686 56.048 -0.410 0.000 1.151 22 H CB -1.889 27.328 29.762 -0.909 0.000 1.505 22 H HN 0.438 nan 8.280 nan 0.000 0.429 23 T N -4.427 110.029 114.554 -0.165 0.000 3.403 23 T HA 0.609 4.959 4.350 -0.000 0.000 0.308 23 T C 1.713 176.294 174.700 -0.197 0.000 0.952 23 T CA 0.084 62.053 62.100 -0.218 0.000 0.970 23 T CB 0.440 69.233 68.868 -0.124 0.000 1.189 23 T HN 0.509 nan 8.240 nan 0.000 0.528 24 A N 2.588 125.319 122.820 -0.149 0.000 1.903 24 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 24 A C 2.022 179.577 177.584 -0.048 0.000 1.191 24 A CA 2.142 54.134 52.037 -0.076 0.000 0.638 24 A CB -0.796 18.186 19.000 -0.031 0.000 0.823 24 A HN 0.461 nan 8.150 nan 0.000 0.451 25 D N -0.876 119.476 120.400 -0.079 0.000 2.219 25 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 25 D C 1.599 177.902 176.300 0.005 0.000 0.970 25 D CA 0.669 54.684 54.000 0.025 0.000 0.851 25 D CB -0.140 40.684 40.800 0.039 0.000 0.943 25 D HN 0.291 nan 8.370 nan 0.000 0.488 26 L N 0.032 121.188 121.223 -0.112 0.000 2.209 26 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 26 L C 0.837 177.701 176.870 -0.010 0.000 1.094 26 L CA 0.459 55.271 54.840 -0.046 0.000 0.790 26 L CB -0.149 41.847 42.059 -0.104 0.000 0.932 26 L HN -0.026 nan 8.230 nan 0.000 0.447 27 C N 1.959 121.240 119.300 -0.031 0.000 2.645 27 C HA 0.300 4.760 4.460 -0.000 0.000 0.451 27 C C 0.692 175.688 174.990 0.010 0.000 1.018 27 C CA -0.445 58.565 59.018 -0.013 0.000 1.180 27 C CB -2.219 25.501 27.740 -0.032 0.000 1.563 27 C HN 0.231 nan 8.230 nan 0.000 0.551 28 R N 1.354 121.869 120.500 0.025 0.000 2.518 28 R HA 0.256 4.596 4.340 -0.000 0.000 0.296 28 R C -0.028 176.293 176.300 0.035 0.000 1.080 28 R CA -0.359 55.759 56.100 0.030 0.000 0.922 28 R CB 0.784 31.106 30.300 0.038 0.000 1.184 28 R HN 0.630 nan 8.270 nan 0.000 0.445 29 E N 1.506 121.727 120.200 0.035 0.000 2.759 29 E HA -0.252 4.098 4.350 -0.000 0.000 0.280 29 E C -0.804 175.825 176.600 0.049 0.000 1.009 29 E CA 1.068 57.492 56.400 0.040 0.000 0.849 29 E CB -0.636 29.085 29.700 0.035 0.000 1.415 29 E HN 0.555 nan 8.360 nan 0.000 0.412 30 K N 0.124 120.556 120.400 0.054 0.000 2.806 30 K HA 0.224 4.544 4.320 -0.000 0.000 0.293 30 K C -1.802 174.836 176.600 0.063 0.000 1.135 30 K CA -0.693 55.636 56.287 0.070 0.000 0.960 30 K CB 0.705 33.241 32.500 0.059 0.000 1.374 30 K HN 0.014 nan 8.250 nan 0.000 0.400 31 L N 4.103 125.378 121.223 0.086 0.000 2.371 31 L HA 0.671 5.011 4.340 -0.000 0.000 0.272 31 L C -1.101 175.784 176.870 0.026 0.000 1.124 31 L CA 0.062 54.929 54.840 0.044 0.000 0.816 31 L CB 1.610 43.709 42.059 0.067 0.000 1.129 31 L HN 0.380 nan 8.230 nan 0.000 0.448 32 V N 6.966 126.843 119.914 -0.061 0.000 2.612 32 V HA 0.764 4.884 4.120 -0.000 0.000 0.301 32 V C -1.079 174.897 176.094 -0.196 0.000 1.059 32 V CA 0.125 62.388 62.300 -0.062 0.000 0.886 32 V CB 1.890 33.712 31.823 -0.001 0.000 1.007 32 V HN 0.901 nan 8.190 nan 0.000 0.426 33 V N 4.133 123.881 119.914 -0.276 0.000 3.158 33 V HA 0.768 4.888 4.120 -0.000 0.000 0.311 33 V C -0.585 175.446 176.094 -0.104 0.000 1.181 33 V CA -1.283 60.749 62.300 -0.447 0.000 1.054 33 V CB 2.265 33.417 31.823 -1.118 0.000 1.085 33 V HN 0.936 nan 8.190 nan 0.000 0.446 34 R N 1.079 121.679 120.500 0.167 0.000 2.532 34 R HA 0.562 4.902 4.340 -0.000 0.000 0.295 34 R C -0.126 176.246 176.300 0.120 0.000 0.968 34 R CA -0.847 55.370 56.100 0.196 0.000 0.916 34 R CB 1.869 32.339 30.300 0.283 0.000 1.124 34 R HN 0.961 nan 8.270 nan 0.000 0.463 35 R N 0.306 120.829 120.500 0.039 0.000 2.784 35 R HA 0.174 4.514 4.340 -0.000 0.000 0.266 35 R C 0.532 176.812 176.300 -0.033 0.000 1.044 35 R CA 0.552 56.617 56.100 -0.058 0.000 1.151 35 R CB 0.072 30.317 30.300 -0.093 0.000 1.037 35 R HN 0.803 nan 8.270 nan 0.000 0.478 36 G N -0.208 108.517 108.800 -0.124 0.000 2.168 36 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.263 36 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.263 36 G C -0.095 174.754 174.900 -0.084 0.000 0.977 36 G CA 0.804 45.840 45.100 -0.106 0.000 0.659 36 G HN 0.854 nan 8.290 nan 0.000 0.533 37 Q N 0.345 120.111 119.800 -0.057 0.000 2.331 37 Q HA 0.577 4.917 4.340 -0.000 0.000 0.272 37 Q C -2.833 173.186 176.000 0.032 0.000 1.062 37 Q CA -2.305 53.465 55.803 -0.056 0.000 0.806 37 Q CB 2.999 31.655 28.738 -0.136 0.000 1.312 37 Q HN 0.164 nan 8.270 nan 0.000 0.431 38 P HA 0.111 nan 4.420 nan 0.000 0.271 38 P C -1.193 176.166 177.300 0.097 0.000 1.216 38 P CA 0.158 63.207 63.100 -0.085 0.000 0.771 38 P CB 0.037 31.592 31.700 -0.241 0.000 0.864 39 F N 0.337 120.181 119.950 -0.178 0.000 2.529 39 F HA 0.592 5.119 4.527 -0.000 0.000 0.320 39 F C -0.898 174.768 175.800 -0.223 0.000 1.118 39 F CA -1.814 56.114 58.000 -0.119 0.000 0.915 39 F CB 0.613 39.476 39.000 -0.230 0.000 1.161 39 F HN 0.183 nan 8.300 nan 0.000 0.445 40 W N 4.571 125.911 121.300 0.067 0.000 2.193 40 W HA 0.451 5.111 4.660 -0.000 0.000 0.338 40 W C -0.717 175.774 176.519 -0.046 0.000 1.310 40 W CA -0.151 57.174 57.345 -0.032 0.000 1.243 40 W CB 0.657 30.125 29.460 0.013 0.000 1.165 40 W HN 0.536 nan 8.180 nan 0.000 0.566 41 L N 3.384 124.681 121.223 0.123 0.000 2.470 41 L HA 0.526 4.866 4.340 -0.000 0.000 0.268 41 L C -0.656 176.280 176.870 0.110 0.000 0.964 41 L CA -0.554 54.324 54.840 0.063 0.000 0.839 41 L CB 1.915 43.899 42.059 -0.125 0.000 1.276 41 L HN 0.343 nan 8.230 nan 0.000 0.403 42 T N 5.402 120.027 114.554 0.117 0.000 2.841 42 T HA 0.791 5.141 4.350 -0.000 0.000 0.283 42 T C -0.621 174.131 174.700 0.087 0.000 1.000 42 T CA -0.333 61.829 62.100 0.104 0.000 0.977 42 T CB 0.662 69.584 68.868 0.090 0.000 0.979 42 T HN 0.546 nan 8.240 nan 0.000 0.446 57 L N 0.581 121.723 121.223 -0.135 0.000 2.330 57 L HA 1.015 5.355 4.340 -0.000 0.000 0.271 57 L C -0.166 176.531 176.870 -0.289 0.000 1.013 57 L CA -0.599 54.111 54.840 -0.217 0.000 0.816 57 L CB 0.424 42.319 42.059 -0.274 0.000 1.287 57 L HN 1.009 nan 8.230 nan 0.000 0.435 58 T N -1.345 113.009 114.554 -0.333 0.000 2.863 58 T HA 0.705 5.055 4.350 -0.000 0.000 0.285 58 T C -0.448 173.945 174.700 -0.510 0.000 1.009 58 T CA -0.395 61.500 62.100 -0.342 0.000 0.989 58 T CB 1.336 70.101 68.868 -0.173 0.000 1.004 58 T HN 0.360 nan 8.240 nan 0.000 0.455 59 F N 1.760 121.420 119.950 -0.482 0.000 2.377 59 F HA 0.628 5.155 4.527 -0.000 0.000 0.328 59 F C 1.080 176.558 175.800 -0.536 0.000 1.094 59 F CA -0.334 57.288 58.000 -0.630 0.000 1.093 59 F CB 1.812 40.129 39.000 -1.138 0.000 1.214 59 F HN 0.882 nan 8.300 nan 0.000 0.518 60 S N 1.073 116.749 115.700 -0.040 0.000 2.548 60 S HA 0.795 5.265 4.470 -0.000 0.000 0.276 60 S C -1.219 173.439 174.600 0.096 0.000 1.129 60 S CA -0.849 57.366 58.200 0.026 0.000 0.931 60 S CB 1.249 64.445 63.200 -0.006 0.000 1.068 60 S HN 0.719 nan 8.310 nan 0.000 0.480 61 V N -0.126 119.819 119.914 0.052 0.000 2.735 61 V HA 0.983 5.103 4.120 -0.000 0.000 0.310 61 V C -0.818 175.305 176.094 0.047 0.000 1.061 61 V CA -0.762 61.568 62.300 0.050 0.000 0.913 61 V CB 1.361 33.114 31.823 -0.118 0.000 1.005 61 V HN 0.846 nan 8.190 nan 0.000 0.428 62 V N 2.917 122.910 119.914 0.133 0.000 2.686 62 V HA 0.570 4.690 4.120 -0.000 0.000 0.306 62 V C 0.566 176.664 176.094 0.008 0.000 1.065 62 V CA 0.732 63.076 62.300 0.073 0.000 0.894 62 V CB 2.236 34.076 31.823 0.028 0.000 1.004 62 V HN 1.189 nan 8.190 nan 0.000 0.424 63 T N 2.800 117.265 114.554 -0.147 0.000 3.182 63 T HA 0.314 4.664 4.350 -0.000 0.000 0.244 63 T C 0.985 175.575 174.700 -0.183 0.000 0.981 63 T CA 0.984 62.840 62.100 -0.406 0.000 1.182 63 T CB 0.020 68.268 68.868 -1.034 0.000 1.043 63 T HN 0.853 nan 8.240 nan 0.000 0.424 64 G N 1.649 110.394 108.800 -0.091 0.000 2.525 64 G HA2 0.398 4.358 3.960 -0.000 0.000 0.276 64 G HA3 0.398 4.358 3.960 -0.000 0.000 0.276 64 G C -1.576 173.338 174.900 0.024 0.000 1.388 64 G CA -0.265 44.839 45.100 0.007 0.000 1.050 64 G HN 0.398 nan 8.290 nan 0.000 0.520 65 P HA 0.305 nan 4.420 nan 0.000 0.268 65 P C -0.229 177.060 177.300 -0.019 0.000 1.329 65 P CA 0.541 63.656 63.100 0.025 0.000 0.899 65 P CB 1.008 32.740 31.700 0.053 0.000 1.378 66 A N 1.009 123.811 122.820 -0.029 0.000 3.455 66 A HA 0.425 4.745 4.320 -0.000 0.000 0.225 66 A C -2.548 175.022 177.584 -0.024 0.000 1.052 66 A CA -0.852 51.164 52.037 -0.035 0.000 1.005 66 A CB -0.049 18.914 19.000 -0.061 0.000 1.318 66 A HN -0.007 nan 8.150 nan 0.000 0.639 67 P HA 0.324 nan 4.420 nan 0.000 0.269 67 P C 0.026 177.325 177.300 -0.002 0.000 1.211 67 P CA 0.548 63.645 63.100 -0.005 0.000 0.781 67 P CB 1.159 32.858 31.700 -0.002 0.000 0.877 68 S N -0.273 115.431 115.700 0.007 0.000 2.543 68 S HA 0.128 4.598 4.470 -0.000 0.000 0.274 68 S C 0.626 175.238 174.600 0.019 0.000 1.149 68 S CA -0.651 57.554 58.200 0.009 0.000 0.866 68 S CB 1.520 64.723 63.200 0.005 0.000 1.111 68 S HN 0.366 nan 8.310 nan 0.000 0.457 69 Q N 1.751 121.561 119.800 0.017 0.000 1.990 69 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 69 Q C 1.974 177.997 176.000 0.038 0.000 0.980 69 Q CA 2.167 57.985 55.803 0.024 0.000 0.832 69 Q CB -0.370 28.381 28.738 0.021 0.000 0.897 69 Q HN 0.950 nan 8.270 nan 0.000 0.427 70 E N -0.233 119.986 120.200 0.031 0.000 2.268 70 E HA -0.082 4.268 4.350 -0.000 0.000 0.195 70 E C 1.347 177.969 176.600 0.038 0.000 0.995 70 E CA 1.057 57.477 56.400 0.034 0.000 0.836 70 E CB -0.091 29.624 29.700 0.024 0.000 0.763 70 E HN 0.186 nan 8.360 nan 0.000 0.491 71 A N 0.936 123.776 122.820 0.033 0.000 2.235 71 A HA 0.297 4.617 4.320 -0.000 0.000 0.208 71 A C 1.952 179.572 177.584 0.060 0.000 1.172 71 A CA 0.985 53.041 52.037 0.032 0.000 0.786 71 A CB -0.675 18.334 19.000 0.016 0.000 0.804 71 A HN 0.513 nan 8.150 nan 0.000 0.479 72 G N -1.314 107.539 108.800 0.088 0.000 2.220 72 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.269 72 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.269 72 G C 1.145 176.162 174.900 0.196 0.000 0.977 72 G CA 1.439 46.632 45.100 0.155 0.000 0.634 72 G HN 1.018 nan 8.290 nan 0.000 0.539 73 T N -0.595 114.033 114.554 0.123 0.000 3.148 73 T HA 0.329 4.679 4.350 -0.000 0.000 0.253 73 T C 0.701 175.458 174.700 0.096 0.000 1.134 73 T CA 1.700 63.867 62.100 0.111 0.000 1.051 73 T CB -0.221 68.669 68.868 0.038 0.000 0.959 73 T HN 0.669 nan 8.240 nan 0.000 0.525 74 K N 0.205 120.642 120.400 0.062 0.000 2.525 74 K HA 0.646 4.966 4.320 -0.000 0.000 0.254 74 K C -2.042 174.498 176.600 -0.099 0.000 0.934 74 K CA -0.796 55.486 56.287 -0.009 0.000 0.802 74 K CB 1.997 34.497 32.500 -0.000 0.000 1.295 74 K HN 0.040 nan 8.250 nan 0.000 0.433 75 A N 3.011 125.696 122.820 -0.225 0.000 2.488 75 A HA 0.657 4.977 4.320 -0.000 0.000 0.298 75 A C -1.698 175.872 177.584 -0.025 0.000 1.044 75 A CA -0.759 51.110 52.037 -0.279 0.000 0.693 75 A CB 1.796 20.239 19.000 -0.929 0.000 1.272 75 A HN 0.671 nan 8.150 nan 0.000 0.402 76 R N 1.387 121.949 120.500 0.103 0.000 2.437 76 R HA 0.795 5.135 4.340 -0.000 0.000 0.310 76 R C -1.438 175.063 176.300 0.335 0.000 0.955 76 R CA -0.685 55.513 56.100 0.164 0.000 0.851 76 R CB 0.424 30.761 30.300 0.063 0.000 1.161 76 R HN 0.896 nan 8.270 nan 0.000 0.446 77 F N 2.848 122.828 119.950 0.051 0.000 2.608 77 F HA 0.696 5.223 4.527 -0.000 0.000 0.309 77 F C -2.759 173.118 175.800 0.128 0.000 1.103 77 F CA -2.521 55.536 58.000 0.094 0.000 0.954 77 F CB 1.960 41.037 39.000 0.129 0.000 1.267 77 F HN 0.372 nan 8.300 nan 0.000 0.444 78 P HA 0.125 nan 4.420 nan 0.000 0.277 78 P C -0.616 176.749 177.300 0.109 0.000 1.240 78 P CA -0.398 62.734 63.100 0.054 0.000 0.798 78 P CB 2.409 34.146 31.700 0.062 0.000 0.979 79 L N 2.634 123.887 121.223 0.051 0.000 2.480 79 L HA 0.100 4.440 4.340 -0.000 0.000 0.243 79 L C 1.213 178.127 176.870 0.074 0.000 1.315 79 L CA -0.451 54.456 54.840 0.111 0.000 1.231 79 L CB -0.369 41.724 42.059 0.056 0.000 1.444 79 L HN 0.331 nan 8.230 nan 0.000 0.409 80 R N 0.523 121.075 120.500 0.087 0.000 3.151 80 R HA -0.040 4.300 4.340 -0.000 0.000 0.283 80 R C 0.474 176.798 176.300 0.041 0.000 1.140 80 R CA 0.042 56.176 56.100 0.056 0.000 1.162 80 R CB 0.294 30.631 30.300 0.061 0.000 1.121 80 R HN 0.471 nan 8.270 nan 0.000 0.552 81 D N -1.936 118.480 120.400 0.027 0.000 2.449 81 D HA 0.179 4.819 4.640 -0.000 0.000 0.255 81 D C 0.675 176.980 176.300 0.009 0.000 1.121 81 D CA 0.375 54.385 54.000 0.017 0.000 0.830 81 D CB 0.693 41.502 40.800 0.015 0.000 1.280 81 D HN 0.429 nan 8.370 nan 0.000 0.522 82 A N 0.292 123.118 122.820 0.010 0.000 2.712 82 A HA 0.523 4.843 4.320 -0.000 0.000 0.211 82 A C 1.437 179.020 177.584 -0.003 0.000 1.877 82 A CA 1.488 53.527 52.037 0.004 0.000 0.686 82 A CB 0.005 19.009 19.000 0.007 0.000 1.308 82 A HN 0.118 nan 8.150 nan 0.000 0.498 83 V N -2.736 117.179 119.914 0.002 0.000 7.017 83 V HA 0.250 4.370 4.120 -0.000 0.000 0.054 83 V C -1.093 175.002 176.094 0.001 0.000 0.798 83 V CA 1.207 63.503 62.300 -0.007 0.000 0.630 83 V CB -0.547 31.261 31.823 -0.025 0.000 1.141 83 V HN 0.933 nan 8.190 nan 0.000 0.724 84 E N 1.731 121.928 120.200 -0.006 0.000 2.302 84 E HA -0.165 4.185 4.350 -0.000 0.000 0.186 84 E C 0.663 177.259 176.600 -0.007 0.000 1.444 84 E CA 0.941 57.340 56.400 -0.003 0.000 0.671 84 E CB -0.910 28.795 29.700 0.009 0.000 1.122 84 E HN 0.608 nan 8.360 nan 0.000 0.366 85 E N 0.306 120.490 120.200 -0.027 0.000 1.907 85 E HA -0.276 4.074 4.350 -0.000 0.000 0.234 85 E C 1.842 178.419 176.600 -0.038 0.000 0.881 85 E CA 1.757 58.129 56.400 -0.047 0.000 0.985 85 E CB -0.929 28.734 29.700 -0.062 0.000 0.795 85 E HN 0.771 nan 8.360 nan 0.000 0.595 86 G N 1.041 109.818 108.800 -0.039 0.000 3.879 86 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.318 86 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.318 86 G C 0.561 175.433 174.900 -0.046 0.000 1.344 86 G CA 1.086 46.171 45.100 -0.026 0.000 1.024 86 G HN 0.429 nan 8.290 nan 0.000 0.681 87 D N -0.551 119.831 120.400 -0.029 0.000 3.443 87 D HA 0.467 5.107 4.640 -0.000 0.000 0.199 87 D C 0.165 176.374 176.300 -0.152 0.000 1.137 87 D CA -0.271 53.698 54.000 -0.052 0.000 1.258 87 D CB -0.320 40.554 40.800 0.122 0.000 1.001 87 D HN 0.367 nan 8.370 nan 0.000 0.320 88 W N 1.130 122.238 121.300 -0.321 0.000 2.238 88 W HA 0.424 5.083 4.660 -0.000 0.000 0.321 88 W C 0.535 176.680 176.519 -0.623 0.000 1.293 88 W CA -0.159 56.792 57.345 -0.656 0.000 1.204 88 W CB 0.157 28.933 29.460 -1.140 0.000 1.167 88 W HN 0.058 nan 8.180 nan 0.000 0.553 89 T N -0.741 113.624 114.554 -0.315 0.000 2.883 89 T HA 0.805 5.155 4.350 -0.000 0.000 0.301 89 T C -0.926 173.889 174.700 0.192 0.000 1.158 89 T CA -1.011 61.107 62.100 0.029 0.000 1.007 89 T CB 1.952 70.808 68.868 -0.020 0.000 1.186 89 T HN 0.795 nan 8.240 nan 0.000 0.499 90 A N 1.864 124.866 122.820 0.303 0.000 3.370 90 A HA 0.601 4.921 4.320 -0.000 0.000 0.295 90 A C 0.216 177.842 177.584 0.069 0.000 1.030 90 A CA -0.700 51.426 52.037 0.148 0.000 0.883 90 A CB -0.096 19.004 19.000 0.168 0.000 1.191 90 A HN 0.855 nan 8.150 nan 0.000 0.507 91 T N 0.690 115.238 114.554 -0.010 0.000 2.919 91 T HA 0.324 4.674 4.350 -0.000 0.000 0.302 91 T C 0.376 175.055 174.700 -0.036 0.000 1.031 91 T CA 0.255 62.343 62.100 -0.019 0.000 1.127 91 T CB 1.451 70.288 68.868 -0.052 0.000 0.952 91 T HN 0.622 nan 8.240 nan 0.000 0.540 92 V N 4.069 123.982 119.914 -0.000 0.000 2.644 92 V HA 0.370 4.490 4.120 -0.000 0.000 0.295 92 V C 0.384 176.483 176.094 0.010 0.000 1.053 92 V CA 0.066 62.373 62.300 0.013 0.000 0.987 92 V CB 1.455 33.299 31.823 0.035 0.000 1.006 92 V HN 0.791 nan 8.190 nan 0.000 0.472 93 V N 4.122 124.058 119.914 0.037 0.000 3.058 93 V HA 0.363 4.483 4.120 -0.000 0.000 0.233 93 V C 0.190 176.337 176.094 0.089 0.000 1.255 93 V CA 0.657 62.998 62.300 0.069 0.000 1.267 93 V CB 0.753 32.649 31.823 0.121 0.000 1.049 93 V HN 0.919 nan 8.190 nan 0.000 0.486 94 D N -1.178 119.283 120.400 0.101 0.000 2.552 94 D HA 0.497 5.137 4.640 -0.000 0.000 0.239 94 D C -0.735 175.602 176.300 0.061 0.000 1.139 94 D CA -0.339 53.708 54.000 0.078 0.000 0.914 94 D CB 2.157 43.008 40.800 0.086 0.000 1.461 94 D HN 0.041 nan 8.370 nan 0.000 0.462 95 Q N 1.132 120.958 119.800 0.043 0.000 2.706 95 Q HA 0.105 4.445 4.340 -0.000 0.000 0.335 95 Q C -0.735 175.280 176.000 0.025 0.000 0.796 95 Q CA -0.346 55.477 55.803 0.034 0.000 1.046 95 Q CB 1.209 29.963 28.738 0.028 0.000 1.448 95 Q HN 0.320 nan 8.270 nan 0.000 0.385 96 Q N 1.639 121.453 119.800 0.023 0.000 2.434 96 Q HA -0.162 4.178 4.340 -0.000 0.000 0.155 96 Q C 0.082 176.089 176.000 0.012 0.000 1.025 96 Q CA 0.965 56.777 55.803 0.015 0.000 0.960 96 Q CB -0.470 28.274 28.738 0.010 0.000 1.654 96 Q HN 0.564 nan 8.270 nan 0.000 0.414 97 D N -1.316 119.091 120.400 0.012 0.000 4.331 97 D HA -0.310 4.330 4.640 -0.000 0.000 0.234 97 D C 0.834 177.139 176.300 0.009 0.000 1.221 97 D CA 2.467 56.473 54.000 0.009 0.000 2.279 97 D CB -0.967 39.837 40.800 0.006 0.000 1.210 97 D HN 0.608 nan 8.370 nan 0.000 0.417 98 C N 0.819 120.124 119.300 0.010 0.000 2.735 98 C HA 0.226 4.686 4.460 -0.000 0.000 0.271 98 C C 1.444 176.443 174.990 0.015 0.000 1.281 98 C CA 0.493 59.517 59.018 0.010 0.000 1.719 98 C CB -0.577 27.168 27.740 0.008 0.000 2.024 98 C HN 0.626 nan 8.230 nan 0.000 0.566 99 T N -0.897 113.667 114.554 0.018 0.000 2.938 99 T HA 0.715 5.065 4.350 -0.000 0.000 0.285 99 T C -1.106 173.615 174.700 0.034 0.000 1.028 99 T CA -0.523 61.593 62.100 0.026 0.000 1.005 99 T CB 1.879 70.763 68.868 0.025 0.000 1.157 99 T HN 0.104 nan 8.240 nan 0.000 0.550 100 L N 0.687 121.938 121.223 0.047 0.000 2.596 100 L HA 0.611 4.951 4.340 -0.000 0.000 0.265 100 L C -1.088 175.831 176.870 0.082 0.000 0.962 100 L CA -0.249 54.627 54.840 0.058 0.000 0.891 100 L CB 2.043 44.135 42.059 0.055 0.000 1.248 100 L HN 0.794 nan 8.230 nan 0.000 0.410 101 S N 5.974 121.734 115.700 0.100 0.000 2.429 101 S HA 0.857 5.327 4.470 -0.000 0.000 0.302 101 S C -0.462 174.224 174.600 0.143 0.000 1.115 101 S CA -0.567 57.727 58.200 0.157 0.000 1.095 101 S CB 0.636 63.962 63.200 0.210 0.000 0.987 101 S HN 0.667 nan 8.310 nan 0.000 0.474 102 L N 1.394 122.676 121.223 0.098 0.000 2.277 102 L HA 0.716 5.056 4.340 -0.000 0.000 0.254 102 L C -1.112 175.642 176.870 -0.194 0.000 1.044 102 L CA -1.099 53.726 54.840 -0.026 0.000 0.842 102 L CB 1.751 43.806 42.059 -0.007 0.000 1.422 102 L HN 0.345 nan 8.230 nan 0.000 0.422 103 Q N 1.621 121.231 119.800 -0.316 0.000 2.347 103 Q HA 0.517 4.857 4.340 -0.000 0.000 0.265 103 Q C -1.563 174.151 176.000 -0.477 0.000 1.024 103 Q CA -0.716 54.784 55.803 -0.505 0.000 0.731 103 Q CB 2.482 30.866 28.738 -0.591 0.000 1.245 103 Q HN 0.447 nan 8.270 nan 0.000 0.472 104 L N 1.602 122.392 121.223 -0.721 0.000 2.395 104 L HA 0.426 4.766 4.340 -0.000 0.000 0.269 104 L C 0.280 176.833 176.870 -0.530 0.000 1.133 104 L CA 0.486 54.945 54.840 -0.635 0.000 0.812 104 L CB 1.428 42.916 42.059 -0.952 0.000 1.125 104 L HN 0.450 nan 8.230 nan 0.000 0.452 105 T N 0.734 115.094 114.554 -0.324 0.000 2.881 105 T HA 0.483 4.833 4.350 -0.000 0.000 0.291 105 T C -0.177 174.271 174.700 -0.420 0.000 0.990 105 T CA -0.754 61.175 62.100 -0.284 0.000 0.976 105 T CB 1.271 69.993 68.868 -0.242 0.000 0.970 105 T HN 0.723 nan 8.240 nan 0.000 0.438 106 T N 2.100 116.359 114.554 -0.491 0.000 2.918 106 T HA 0.648 4.998 4.350 -0.000 0.000 0.283 106 T C -2.685 171.566 174.700 -0.747 0.000 1.001 106 T CA -2.100 59.395 62.100 -1.008 0.000 1.041 106 T CB 1.063 69.403 68.868 -0.881 0.000 1.028 106 T HN 0.233 nan 8.240 nan 0.000 0.511 107 P HA 0.295 nan 4.420 nan 0.000 0.277 107 P C 0.507 177.638 177.300 -0.282 0.000 1.240 107 P CA -0.571 62.256 63.100 -0.456 0.000 0.798 107 P CB 0.761 32.229 31.700 -0.387 0.000 0.979 108 A N 2.566 125.287 122.820 -0.164 0.000 2.178 108 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 108 A C 1.138 178.701 177.584 -0.036 0.000 1.157 108 A CA 1.303 53.291 52.037 -0.081 0.000 0.689 108 A CB -1.134 17.835 19.000 -0.052 0.000 0.787 108 A HN 0.719 nan 8.150 nan 0.000 0.465 109 N N -0.921 117.748 118.700 -0.052 0.000 2.365 109 N HA 0.365 5.105 4.740 -0.000 0.000 0.257 109 N C -0.052 175.457 175.510 -0.002 0.000 1.287 109 N CA 0.342 53.392 53.050 -0.000 0.000 0.882 109 N CB -0.508 37.994 38.487 0.026 0.000 1.250 109 N HN 0.209 nan 8.380 nan 0.000 0.507 110 A N 1.878 124.665 122.820 -0.054 0.000 2.462 110 A HA 0.397 4.717 4.320 -0.000 0.000 0.243 110 A C -2.063 175.566 177.584 0.076 0.000 1.076 110 A CA -0.825 51.229 52.037 0.028 0.000 0.773 110 A CB -0.122 18.805 19.000 -0.122 0.000 1.010 110 A HN 0.251 nan 8.150 nan 0.000 0.493 111 P HA 0.129 nan 4.420 nan 0.000 0.269 111 P C -0.430 176.943 177.300 0.122 0.000 1.215 111 P CA -0.095 63.071 63.100 0.109 0.000 0.780 111 P CB 0.491 32.270 31.700 0.132 0.000 0.898 112 I N 1.089 121.637 120.570 -0.036 0.000 2.474 112 I HA 0.534 4.704 4.170 -0.000 0.000 0.287 112 I C 1.382 177.519 176.117 0.034 0.000 1.048 112 I CA 0.716 61.987 61.300 -0.048 0.000 1.383 112 I CB -0.167 37.712 38.000 -0.201 0.000 1.412 112 I HN 0.709 nan 8.210 nan 0.000 0.531 113 G N 5.591 114.436 108.800 0.076 0.000 2.352 113 G HA2 0.095 4.055 3.960 -0.000 0.000 0.283 113 G HA3 0.095 4.055 3.960 -0.000 0.000 0.283 113 G C -1.667 173.225 174.900 -0.013 0.000 1.308 113 G CA -0.953 44.140 45.100 -0.012 0.000 0.892 113 G HN 0.484 nan 8.290 nan 0.000 0.504 114 L N 0.543 121.702 121.223 -0.106 0.000 2.290 114 L HA 0.666 5.006 4.340 -0.000 0.000 0.284 114 L C -0.866 175.870 176.870 -0.224 0.000 1.078 114 L CA -0.672 54.113 54.840 -0.092 0.000 0.815 114 L CB 0.568 42.571 42.059 -0.093 0.000 1.162 114 L HN 0.596 nan 8.230 nan 0.000 0.435 115 Y N 3.788 123.939 120.300 -0.249 0.000 2.485 115 Y HA 0.464 5.014 4.550 -0.000 0.000 0.345 115 Y C -0.139 175.539 175.900 -0.370 0.000 0.998 115 Y CA -0.832 57.031 58.100 -0.395 0.000 1.059 115 Y CB 1.825 39.790 38.460 -0.826 0.000 1.234 115 Y HN 0.429 nan 8.280 nan 0.000 0.461 116 R N 2.757 123.253 120.500 -0.007 0.000 2.255 116 R HA 0.462 4.802 4.340 -0.000 0.000 0.326 116 R C -1.611 174.663 176.300 -0.044 0.000 0.986 116 R CA -0.982 55.084 56.100 -0.058 0.000 0.847 116 R CB 1.421 31.730 30.300 0.014 0.000 1.111 116 R HN 0.422 nan 8.270 nan 0.000 0.452 117 L N 1.893 123.088 121.223 -0.047 0.000 2.298 117 L HA 0.438 4.778 4.340 -0.000 0.000 0.284 117 L C -0.830 176.103 176.870 0.105 0.000 1.013 117 L CA 0.190 55.127 54.840 0.161 0.000 0.824 117 L CB 1.744 44.045 42.059 0.404 0.000 1.221 117 L HN 0.484 nan 8.230 nan 0.000 0.418 118 S N 4.752 120.524 115.700 0.119 0.000 2.546 118 S HA 0.839 5.309 4.470 -0.000 0.000 0.274 118 S C -1.371 173.253 174.600 0.039 0.000 1.121 118 S CA -0.688 57.551 58.200 0.065 0.000 0.887 118 S CB 1.331 64.532 63.200 0.002 0.000 1.094 118 S HN 0.639 nan 8.310 nan 0.000 0.474 119 L N 1.102 122.284 121.223 -0.068 0.000 2.301 119 L HA 0.797 5.137 4.340 -0.000 0.000 0.264 119 L C -0.443 176.288 176.870 -0.232 0.000 1.016 119 L CA -0.700 53.958 54.840 -0.304 0.000 0.821 119 L CB 0.499 42.113 42.059 -0.741 0.000 1.346 119 L HN 0.663 nan 8.230 nan 0.000 0.429 120 E N 0.614 120.656 120.200 -0.264 0.000 2.202 120 E HA 0.683 5.033 4.350 -0.000 0.000 0.272 120 E C 0.105 176.600 176.600 -0.176 0.000 0.951 120 E CA -0.711 55.584 56.400 -0.176 0.000 0.813 120 E CB 2.173 31.788 29.700 -0.141 0.000 1.151 120 E HN 0.871 nan 8.360 nan 0.000 0.398 121 A N 2.431 125.179 122.820 -0.121 0.000 3.370 121 A HA 0.231 4.551 4.320 -0.000 0.000 0.144 121 A C 0.615 178.142 177.584 -0.095 0.000 1.018 121 A CA 0.673 52.649 52.037 -0.101 0.000 1.131 121 A CB -0.029 18.929 19.000 -0.070 0.000 1.121 121 A HN 0.470 nan 8.150 nan 0.000 0.590 134 H N -0.769 118.365 119.070 0.106 0.000 2.895 134 H HA 0.622 5.178 4.556 -0.000 0.000 0.373 134 H C -1.222 174.178 175.328 0.119 0.000 1.174 134 H CA -0.403 55.658 56.048 0.023 0.000 1.144 134 H CB 2.312 32.053 29.762 -0.035 0.000 1.793 134 H HN 0.601 nan 8.280 nan 0.000 0.551 135 F N -0.490 119.605 119.950 0.241 0.000 2.611 135 F HA 0.717 5.244 4.527 -0.000 0.000 0.324 135 F C -0.977 174.909 175.800 0.143 0.000 1.061 135 F CA -1.289 56.767 58.000 0.094 0.000 0.954 135 F CB 1.346 40.304 39.000 -0.071 0.000 1.301 135 F HN 0.239 nan 8.300 nan 0.000 0.482 136 I N 2.795 123.535 120.570 0.283 0.000 2.418 136 I HA 0.320 4.490 4.170 -0.000 0.000 0.287 136 I C -1.412 174.853 176.117 0.247 0.000 1.008 136 I CA -0.822 60.611 61.300 0.221 0.000 1.104 136 I CB 1.888 39.961 38.000 0.121 0.000 1.264 136 I HN 0.483 nan 8.210 nan 0.000 0.438 137 L N 8.126 129.554 121.223 0.341 0.000 2.257 137 L HA 0.545 4.885 4.340 -0.000 0.000 0.290 137 L C -0.656 176.293 176.870 0.131 0.000 1.044 137 L CA 0.065 55.043 54.840 0.229 0.000 0.810 137 L CB 0.743 43.001 42.059 0.331 0.000 1.193 137 L HN 0.443 nan 8.230 nan 0.000 0.425 138 L N 3.543 124.824 121.223 0.097 0.000 2.335 138 L HA 0.531 4.871 4.340 -0.000 0.000 0.268 138 L C -0.302 176.637 176.870 0.114 0.000 1.016 138 L CA -0.949 53.965 54.840 0.123 0.000 0.805 138 L CB 1.004 43.195 42.059 0.221 0.000 1.311 138 L HN 0.316 nan 8.230 nan 0.000 0.456 139 F N 0.355 120.416 119.950 0.185 0.000 2.490 139 F HA 0.076 4.603 4.527 -0.000 0.000 0.336 139 F C 0.732 176.673 175.800 0.234 0.000 1.178 139 F CA 0.201 58.311 58.000 0.183 0.000 1.301 139 F CB 0.218 39.318 39.000 0.167 0.000 1.175 139 F HN 0.370 nan 8.300 nan 0.000 0.593 140 N N 0.974 119.935 118.700 0.436 0.000 2.626 140 N HA 0.353 5.093 4.740 -0.000 0.000 0.249 140 N C 0.225 175.994 175.510 0.431 0.000 1.021 140 N CA -0.167 53.151 53.050 0.446 0.000 0.886 140 N CB 1.270 39.955 38.487 0.330 0.000 1.149 140 N HN 0.613 nan 8.380 nan 0.000 0.517 141 A N 2.893 125.933 122.820 0.368 0.000 2.178 141 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 141 A C 1.281 178.858 177.584 -0.011 0.000 1.157 141 A CA 0.632 52.679 52.037 0.018 0.000 0.689 141 A CB -0.424 18.348 19.000 -0.380 0.000 0.787 141 A HN 0.765 nan 8.150 nan 0.000 0.465 142 W N -1.707 119.718 121.300 0.208 0.000 2.863 142 W HA 0.144 4.804 4.660 -0.000 0.000 0.258 142 W C 0.740 177.442 176.519 0.305 0.000 1.298 142 W CA -0.379 57.110 57.345 0.241 0.000 1.451 142 W CB -0.402 29.163 29.460 0.176 0.000 1.107 142 W HN 0.286 nan 8.180 nan 0.000 0.641 143 C N 3.388 122.945 119.300 0.428 0.000 2.281 143 C HA 0.226 4.686 4.460 -0.000 0.000 0.336 143 C C -0.666 174.226 174.990 -0.163 0.000 1.217 143 C CA -1.909 57.188 59.018 0.132 0.000 1.730 143 C CB 0.220 28.023 27.740 0.105 0.000 2.338 143 C HN -0.071 nan 8.230 nan 0.000 0.521 144 P HA -0.133 nan 4.420 nan 0.000 0.218 144 P C 1.200 178.205 177.300 -0.491 0.000 1.146 144 P CA 2.164 64.513 63.100 -1.252 0.000 0.820 144 P CB 0.163 31.392 31.700 -0.785 0.000 0.778 145 A N -1.662 121.019 122.820 -0.232 0.000 2.095 145 A HA -0.016 4.304 4.320 -0.000 0.000 0.212 145 A C 1.252 178.827 177.584 -0.015 0.000 1.162 145 A CA 0.158 52.135 52.037 -0.100 0.000 0.753 145 A CB -0.720 18.230 19.000 -0.084 0.000 0.840 145 A HN 0.082 nan 8.150 nan 0.000 0.468 146 D N -0.023 120.397 120.400 0.033 0.000 2.423 146 D HA 0.305 4.945 4.640 -0.000 0.000 0.238 146 D C 1.334 177.722 176.300 0.147 0.000 1.142 146 D CA 0.649 54.721 54.000 0.121 0.000 0.884 146 D CB 1.293 42.210 40.800 0.194 0.000 1.199 146 D HN 0.113 nan 8.370 nan 0.000 0.438 147 A N 2.788 125.698 122.820 0.150 0.000 2.070 147 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 147 A C 1.789 179.415 177.584 0.070 0.000 1.159 147 A CA 1.539 53.636 52.037 0.099 0.000 0.656 147 A CB -0.363 18.700 19.000 0.104 0.000 0.800 147 A HN 0.547 nan 8.150 nan 0.000 0.453 148 V N -3.902 116.096 119.914 0.140 0.000 3.249 148 V HA 0.280 4.400 4.120 -0.000 0.000 0.338 148 V C 0.492 176.722 176.094 0.226 0.000 1.363 148 V CA -0.809 61.563 62.300 0.119 0.000 1.205 148 V CB -1.674 30.192 31.823 0.071 0.000 1.164 148 V HN 0.360 nan 8.190 nan 0.000 0.458 149 Y N 1.655 122.021 120.300 0.110 0.000 2.721 149 Y HA 0.390 4.940 4.550 -0.000 0.000 0.329 149 Y C -0.023 175.963 175.900 0.142 0.000 1.211 149 Y CA -0.529 57.627 58.100 0.094 0.000 1.512 149 Y CB 0.400 38.905 38.460 0.075 0.000 1.249 149 Y HN 0.324 nan 8.280 nan 0.000 0.549 150 L N 7.568 128.440 121.223 -0.586 0.000 2.294 150 L HA 0.139 4.479 4.340 -0.000 0.000 0.283 150 L C 1.324 177.549 176.870 -1.075 0.000 1.015 150 L CA -0.349 54.052 54.840 -0.732 0.000 0.831 150 L CB 1.079 42.742 42.059 -0.660 0.000 1.217 150 L HN 0.802 nan 8.230 nan 0.000 0.420 151 D N 1.739 121.631 120.400 -0.848 0.000 2.239 151 D HA -0.159 4.481 4.640 -0.000 0.000 0.202 151 D C 0.445 176.536 176.300 -0.349 0.000 0.993 151 D CA 1.117 54.784 54.000 -0.555 0.000 0.874 151 D CB 0.541 41.197 40.800 -0.239 0.000 0.922 151 D HN 0.478 nan 8.370 nan 0.000 0.464 152 S N -1.073 114.409 115.700 -0.362 0.000 2.541 152 S HA 0.279 4.749 4.470 -0.000 0.000 0.280 152 S C 0.631 175.078 174.600 -0.254 0.000 1.112 152 S CA -0.871 57.189 58.200 -0.233 0.000 0.925 152 S CB 2.403 65.500 63.200 -0.172 0.000 1.067 152 S HN -0.130 nan 8.310 nan 0.000 0.479 153 E N 2.107 122.216 120.200 -0.152 0.000 2.038 153 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 153 E C 1.905 178.419 176.600 -0.143 0.000 1.000 153 E CA 2.201 58.532 56.400 -0.115 0.000 0.803 153 E CB -0.391 29.311 29.700 0.003 0.000 0.750 153 E HN 0.978 nan 8.360 nan 0.000 0.448 154 E N 0.526 120.651 120.200 -0.125 0.000 2.130 154 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 154 E C 1.833 178.286 176.600 -0.246 0.000 0.998 154 E CA 1.461 57.776 56.400 -0.143 0.000 0.806 154 E CB -0.371 29.261 29.700 -0.113 0.000 0.738 154 E HN 0.317 nan 8.360 nan 0.000 0.459 155 E N 0.629 120.659 120.200 -0.285 0.000 2.152 155 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 155 E C 2.254 178.641 176.600 -0.355 0.000 0.983 155 E CA 0.611 56.787 56.400 -0.373 0.000 0.818 155 E CB -0.020 29.549 29.700 -0.219 0.000 0.758 155 E HN 0.298 nan 8.360 nan 0.000 0.467 156 R N 0.533 120.803 120.500 -0.385 0.000 2.090 156 R HA -0.055 4.285 4.340 -0.000 0.000 0.228 156 R C 2.389 178.520 176.300 -0.281 0.000 1.110 156 R CA 0.717 56.517 56.100 -0.500 0.000 0.973 156 R CB -0.059 29.652 30.300 -0.982 0.000 0.869 156 R HN 0.121 nan 8.270 nan 0.000 0.440 157 Q N 0.711 120.405 119.800 -0.176 0.000 2.050 157 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 157 Q C 1.965 177.913 176.000 -0.086 0.000 0.980 157 Q CA 1.572 57.354 55.803 -0.036 0.000 0.840 157 Q CB -0.068 28.654 28.738 -0.027 0.000 0.898 157 Q HN 0.251 nan 8.270 nan 0.000 0.424 158 E N 0.020 120.066 120.200 -0.256 0.000 2.015 158 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 158 E C 1.569 178.021 176.600 -0.247 0.000 0.991 158 E CA 1.304 57.494 56.400 -0.350 0.000 0.802 158 E CB -0.295 28.990 29.700 -0.692 0.000 0.759 158 E HN 0.339 nan 8.360 nan 0.000 0.447 159 Y N -0.760 119.501 120.300 -0.064 0.000 2.561 159 Y HA 0.102 4.652 4.550 -0.000 0.000 0.291 159 Y C 1.774 177.634 175.900 -0.068 0.000 1.141 159 Y CA 0.367 58.435 58.100 -0.054 0.000 1.303 159 Y CB 0.152 38.623 38.460 0.019 0.000 1.015 159 Y HN -0.016 nan 8.280 nan 0.000 0.547 160 V N -2.054 117.904 119.914 0.073 0.000 3.103 160 V HA -0.006 4.114 4.120 -0.000 0.000 0.229 160 V C 1.776 177.990 176.094 0.200 0.000 1.304 160 V CA 0.315 62.690 62.300 0.124 0.000 1.298 160 V CB -0.099 31.812 31.823 0.146 0.000 1.093 160 V HN 0.118 nan 8.190 nan 0.000 0.489 161 L N 0.781 122.153 121.223 0.248 0.000 2.102 161 L HA 0.085 4.425 4.340 -0.000 0.000 0.202 161 L C 1.580 178.567 176.870 0.195 0.000 1.076 161 L CA 1.303 56.373 54.840 0.383 0.000 0.761 161 L CB -0.607 41.701 42.059 0.415 0.000 0.921 161 L HN 0.519 nan 8.230 nan 0.000 0.444 162 T N -1.402 113.203 114.554 0.085 0.000 2.867 162 T HA -0.006 4.344 4.350 -0.000 0.000 0.297 162 T C 0.573 175.291 174.700 0.030 0.000 0.989 162 T CA -0.179 61.955 62.100 0.057 0.000 1.159 162 T CB 0.919 69.799 68.868 0.020 0.000 0.928 162 T HN 0.269 nan 8.240 nan 0.000 0.538 163 Q N 1.518 121.351 119.800 0.055 0.000 2.280 163 Q HA 0.131 4.471 4.340 -0.000 0.000 0.201 163 Q C 0.186 176.291 176.000 0.176 0.000 0.890 163 Q CA -0.084 55.762 55.803 0.071 0.000 0.947 163 Q CB 0.347 29.081 28.738 -0.006 0.000 1.081 163 Q HN 0.667 nan 8.270 nan 0.000 0.502 164 Q N -0.332 119.553 119.800 0.143 0.000 2.413 164 Q HA 0.753 5.093 4.340 -0.000 0.000 0.276 164 Q C -0.169 175.828 176.000 -0.005 0.000 1.099 164 Q CA -0.519 55.286 55.803 0.003 0.000 0.814 164 Q CB 2.400 31.088 28.738 -0.083 0.000 1.379 164 Q HN 0.168 nan 8.270 nan 0.000 0.436 165 G N 0.032 108.680 108.800 -0.254 0.000 2.490 165 G HA2 0.674 4.634 3.960 -0.000 0.000 0.308 165 G HA3 0.674 4.634 3.960 -0.000 0.000 0.308 165 G C -1.860 172.666 174.900 -0.623 0.000 1.286 165 G CA -0.627 44.307 45.100 -0.277 0.000 0.825 165 G HN 0.305 nan 8.290 nan 0.000 0.479 166 F N -0.241 119.634 119.950 -0.125 0.000 2.563 166 F HA 0.667 5.194 4.527 -0.000 0.000 0.316 166 F C 0.063 175.625 175.800 -0.397 0.000 1.076 166 F CA -0.926 56.857 58.000 -0.361 0.000 0.921 166 F CB 2.640 41.321 39.000 -0.533 0.000 1.209 166 F HN 0.083 nan 8.300 nan 0.000 0.462 167 I N 3.174 123.567 120.570 -0.295 0.000 2.410 167 I HA 0.231 4.401 4.170 -0.000 0.000 0.286 167 I C -1.149 174.602 176.117 -0.609 0.000 1.009 167 I CA -0.817 60.270 61.300 -0.355 0.000 1.111 167 I CB 1.304 39.133 38.000 -0.285 0.000 1.262 167 I HN 0.476 nan 8.210 nan 0.000 0.443 168 Y N 5.763 125.896 120.300 -0.278 0.000 2.402 168 Y HA 0.235 4.785 4.550 -0.000 0.000 0.333 168 Y C 0.739 176.260 175.900 -0.631 0.000 1.076 168 Y CA 0.238 58.125 58.100 -0.354 0.000 1.299 168 Y CB 0.649 38.971 38.460 -0.232 0.000 1.197 168 Y HN 0.577 nan 8.280 nan 0.000 0.517 169 Q N 0.922 120.368 119.800 -0.591 0.000 3.249 169 Q HA 0.676 5.016 4.340 -0.000 0.000 0.356 169 Q C 0.545 176.264 176.000 -0.469 0.000 0.851 169 Q CA -0.515 54.686 55.803 -1.003 0.000 0.846 169 Q CB 1.749 29.973 28.738 -0.856 0.000 1.530 169 Q HN 0.801 nan 8.270 nan 0.000 0.443 170 G N 1.185 109.787 108.800 -0.329 0.000 2.527 170 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.262 170 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.262 170 G C -0.329 174.666 174.900 0.160 0.000 1.153 170 G CA 0.052 44.997 45.100 -0.258 0.000 0.954 170 G HN 0.836 nan 8.290 nan 0.000 0.552 171 S N -1.055 114.686 115.700 0.068 0.000 2.588 171 S HA 0.771 5.241 4.470 -0.000 0.000 0.275 171 S C 1.289 175.699 174.600 -0.316 0.000 1.130 171 S CA 0.763 59.031 58.200 0.114 0.000 0.855 171 S CB 1.288 64.600 63.200 0.186 0.000 1.116 171 S HN 2.312 nan 8.310 nan 0.000 0.472 172 A N 2.556 125.192 122.820 -0.308 0.000 1.948 172 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 172 A C 1.771 179.168 177.584 -0.313 0.000 1.177 172 A CA 1.752 53.485 52.037 -0.506 0.000 0.636 172 A CB -0.594 18.338 19.000 -0.113 0.000 0.815 172 A HN 0.825 nan 8.150 nan 0.000 0.449 173 K N -3.039 117.291 120.400 -0.116 0.000 2.404 173 K HA 0.224 4.544 4.320 -0.000 0.000 0.194 173 K C -0.772 175.874 176.600 0.076 0.000 1.023 173 K CA 0.041 56.313 56.287 -0.024 0.000 1.094 173 K CB 0.238 32.755 32.500 0.029 0.000 0.841 173 K HN 0.385 nan 8.250 nan 0.000 0.523 174 F N 1.225 121.070 119.950 -0.175 0.000 3.282 174 F HA 0.301 4.827 4.527 -0.000 0.000 0.398 174 F C -1.011 174.640 175.800 -0.247 0.000 1.205 174 F CA -0.813 57.094 58.000 -0.154 0.000 1.273 174 F CB 0.534 39.498 39.000 -0.059 0.000 2.153 174 F HN -0.233 nan 8.300 nan 0.000 0.680 175 I N 5.142 125.407 120.570 -0.508 0.000 2.533 175 I HA 0.157 4.327 4.170 -0.000 0.000 0.284 175 I C 0.113 175.939 176.117 -0.485 0.000 1.109 175 I CA -0.004 61.028 61.300 -0.447 0.000 1.412 175 I CB 0.429 38.213 38.000 -0.361 0.000 1.396 175 I HN 0.228 nan 8.210 nan 0.000 0.543 176 K N 6.033 126.175 120.400 -0.429 0.000 2.207 176 K HA 0.360 4.680 4.320 -0.000 0.000 0.255 176 K C -0.664 175.693 176.600 -0.404 0.000 0.941 176 K CA -0.709 55.304 56.287 -0.457 0.000 0.825 176 K CB 1.739 33.883 32.500 -0.595 0.000 1.119 176 K HN 0.587 nan 8.250 nan 0.000 0.430 177 N N 2.666 121.090 118.700 -0.460 0.000 2.479 177 N HA 0.210 4.950 4.740 -0.000 0.000 0.261 177 N C -0.694 174.533 175.510 -0.471 0.000 0.979 177 N CA -0.578 52.039 53.050 -0.721 0.000 0.930 177 N CB 0.855 38.728 38.487 -1.024 0.000 1.172 177 N HN 0.214 nan 8.380 nan 0.000 0.499 178 I N 3.490 123.843 120.570 -0.361 0.000 2.342 178 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 178 I C -1.853 174.288 176.117 0.041 0.000 1.010 178 I CA -2.348 58.873 61.300 -0.132 0.000 1.308 178 I CB 1.121 39.019 38.000 -0.171 0.000 1.400 178 I HN 0.412 nan 8.210 nan 0.000 0.488 179 P HA 0.024 nan 4.420 nan 0.000 0.272 179 P C -1.024 176.273 177.300 -0.006 0.000 1.223 179 P CA -0.346 62.729 63.100 -0.041 0.000 0.784 179 P CB 0.955 32.629 31.700 -0.043 0.000 0.923 180 W N 2.903 123.963 121.300 -0.400 0.000 3.425 180 W HA 0.204 4.864 4.660 -0.000 0.000 0.318 180 W C -1.633 174.548 176.519 -0.564 0.000 1.201 180 W CA -0.505 56.563 57.345 -0.462 0.000 1.212 180 W CB 1.954 31.032 29.460 -0.637 0.000 1.355 180 W HN 0.281 nan 8.180 nan 0.000 0.515 181 N N 3.890 122.191 118.700 -0.665 0.000 2.589 181 N HA 0.224 4.964 4.740 -0.000 0.000 0.232 181 N C 0.386 175.744 175.510 -0.254 0.000 1.015 181 N CA -0.168 52.655 53.050 -0.380 0.000 0.931 181 N CB 0.118 38.425 38.487 -0.300 0.000 1.150 181 N HN 0.178 nan 8.380 nan 0.000 0.512 182 F N 2.206 122.231 119.950 0.126 0.000 2.146 182 F HA 0.153 4.680 4.527 -0.000 0.000 0.298 182 F C 2.129 177.929 175.800 0.000 0.000 1.096 182 F CA 1.047 59.136 58.000 0.148 0.000 1.275 182 F CB -0.716 38.328 39.000 0.074 0.000 1.008 182 F HN 0.626 nan 8.300 nan 0.000 0.480 183 G N 1.294 110.165 108.800 0.119 0.000 2.421 183 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.300 183 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.300 183 G C 1.222 176.107 174.900 -0.026 0.000 0.974 183 G CA 0.706 45.810 45.100 0.007 0.000 1.062 183 G HN 0.501 nan 8.290 nan 0.000 0.514 184 Q N -0.961 118.743 119.800 -0.159 0.000 2.226 184 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 184 Q C 1.542 177.509 176.000 -0.054 0.000 0.975 184 Q CA 1.419 57.103 55.803 -0.198 0.000 0.866 184 Q CB -0.297 28.198 28.738 -0.405 0.000 0.915 184 Q HN 0.629 nan 8.270 nan 0.000 0.440 185 F N 1.656 121.649 119.950 0.070 0.000 2.693 185 F HA 0.329 4.856 4.527 -0.000 0.000 0.303 185 F C 0.902 176.721 175.800 0.032 0.000 1.097 185 F CA -0.824 57.207 58.000 0.052 0.000 1.330 185 F CB -0.294 38.732 39.000 0.042 0.000 1.067 185 F HN -0.026 nan 8.300 nan 0.000 0.565 186 Q N 0.652 120.547 119.800 0.158 0.000 2.421 186 Q HA -0.007 4.333 4.340 -0.000 0.000 0.255 186 Q C -0.182 175.890 176.000 0.120 0.000 1.013 186 Q CA -0.223 55.643 55.803 0.106 0.000 0.895 186 Q CB 0.588 29.360 28.738 0.057 0.000 1.271 186 Q HN 0.110 nan 8.270 nan 0.000 0.460 187 D N -0.374 120.088 120.400 0.105 0.000 2.531 187 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 187 D C 0.904 177.254 176.300 0.083 0.000 1.144 187 D CA 1.869 55.925 54.000 0.094 0.000 0.869 187 D CB 0.026 40.874 40.800 0.080 0.000 1.160 187 D HN 0.696 nan 8.370 nan 0.000 0.484 188 G N 3.646 112.496 108.800 0.083 0.000 2.179 188 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 188 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 188 G C 1.120 176.073 174.900 0.089 0.000 0.977 188 G CA 0.294 45.439 45.100 0.075 0.000 0.641 188 G HN 0.520 nan 8.290 nan 0.000 0.533 189 I N 0.453 121.085 120.570 0.104 0.000 2.353 189 I HA 0.037 4.207 4.170 -0.000 0.000 0.248 189 I C 2.735 178.923 176.117 0.118 0.000 1.119 189 I CA 1.131 62.496 61.300 0.109 0.000 1.417 189 I CB -1.048 37.016 38.000 0.107 0.000 1.078 189 I HN 0.365 nan 8.210 nan 0.000 0.421 190 L N 0.691 121.993 121.223 0.132 0.000 2.046 190 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 190 L C 2.160 179.090 176.870 0.100 0.000 1.077 190 L CA 1.776 56.695 54.840 0.132 0.000 0.747 190 L CB -0.365 41.776 42.059 0.137 0.000 0.896 190 L HN 0.246 nan 8.230 nan 0.000 0.432 191 D N -0.033 120.417 120.400 0.083 0.000 2.178 191 D HA -0.179 4.461 4.640 -0.000 0.000 0.201 191 D C 2.207 178.553 176.300 0.076 0.000 0.980 191 D CA 1.289 55.325 54.000 0.060 0.000 0.842 191 D CB 0.026 40.850 40.800 0.041 0.000 0.948 191 D HN 0.439 nan 8.370 nan 0.000 0.472 192 I N 0.439 121.074 120.570 0.107 0.000 2.353 192 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 192 I C 2.357 178.582 176.117 0.180 0.000 1.119 192 I CA 0.434 61.836 61.300 0.170 0.000 1.417 192 I CB -0.090 38.028 38.000 0.197 0.000 1.078 192 I HN 0.050 nan 8.210 nan 0.000 0.421 193 C N 0.711 120.082 119.300 0.118 0.000 2.440 193 C HA -0.107 4.353 4.460 -0.000 0.000 0.278 193 C C 2.725 177.762 174.990 0.078 0.000 1.295 193 C CA 0.518 59.587 59.018 0.086 0.000 1.738 193 C CB -0.947 26.845 27.740 0.086 0.000 1.987 193 C HN 0.447 nan 8.230 nan 0.000 0.492 194 L N 0.347 121.611 121.223 0.068 0.000 2.056 194 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 194 L C 2.481 179.349 176.870 -0.003 0.000 1.078 194 L CA 1.481 56.336 54.840 0.025 0.000 0.749 194 L CB -0.547 41.519 42.059 0.011 0.000 0.901 194 L HN 0.335 nan 8.230 nan 0.000 0.433 195 I N -0.329 120.265 120.570 0.039 0.000 2.208 195 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 195 I C 2.549 178.739 176.117 0.122 0.000 1.097 195 I CA 1.036 62.358 61.300 0.037 0.000 1.363 195 I CB -0.281 37.757 38.000 0.064 0.000 1.051 195 I HN 0.314 nan 8.210 nan 0.000 0.413 196 L N 1.004 122.367 121.223 0.234 0.000 2.042 196 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 196 L C 2.364 179.274 176.870 0.068 0.000 1.076 196 L CA 2.109 57.080 54.840 0.218 0.000 0.749 196 L CB -0.610 41.455 42.059 0.010 0.000 0.893 196 L HN 0.277 nan 8.230 nan 0.000 0.432 197 L N -0.602 120.623 121.223 0.004 0.000 2.044 197 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 197 L C 1.913 178.670 176.870 -0.188 0.000 1.075 197 L CA 0.988 55.806 54.840 -0.037 0.000 0.747 197 L CB -0.661 41.397 42.059 -0.002 0.000 0.903 197 L HN 0.183 nan 8.230 nan 0.000 0.435 198 D N -0.614 119.557 120.400 -0.381 0.000 2.392 198 D HA -0.091 4.549 4.640 -0.000 0.000 0.228 198 D C 1.418 177.308 176.300 -0.684 0.000 1.003 198 D CA 0.721 54.121 54.000 -1.000 0.000 0.917 198 D CB 0.457 40.784 40.800 -0.789 0.000 0.890 198 D HN 0.101 nan 8.370 nan 0.000 0.532 199 V N 0.457 120.253 119.914 -0.195 0.000 3.330 199 V HA 0.057 4.177 4.120 -0.000 0.000 0.309 199 V C 0.016 176.170 176.094 0.099 0.000 1.481 199 V CA -0.341 61.962 62.300 0.005 0.000 1.068 199 V CB -0.015 31.834 31.823 0.042 0.000 0.935 199 V HN 0.104 nan 8.190 nan 0.000 0.453 200 N N 0.587 119.340 118.700 0.088 0.000 2.525 200 N HA 0.250 4.990 4.740 -0.000 0.000 0.271 200 N C -1.458 174.146 175.510 0.157 0.000 1.194 200 N CA -0.828 52.287 53.050 0.109 0.000 0.964 200 N CB 1.089 39.617 38.487 0.070 0.000 1.126 200 N HN -0.095 nan 8.380 nan 0.000 0.452 201 P HA -0.269 nan 4.420 nan 0.000 0.219 201 P C 0.442 177.824 177.300 0.138 0.000 1.158 201 P CA 2.212 65.381 63.100 0.116 0.000 0.895 201 P CB 0.086 31.838 31.700 0.087 0.000 0.792 202 K N -2.487 118.006 120.400 0.155 0.000 2.283 202 K HA -0.115 4.205 4.320 -0.000 0.000 0.202 202 K C 1.937 178.672 176.600 0.225 0.000 1.048 202 K CA 0.944 57.341 56.287 0.184 0.000 0.948 202 K CB -0.495 32.142 32.500 0.228 0.000 0.742 202 K HN 0.192 nan 8.250 nan 0.000 0.458 203 F N 1.117 121.122 119.950 0.092 0.000 2.335 203 F HA 0.027 4.554 4.527 -0.000 0.000 0.296 203 F C 1.559 177.392 175.800 0.055 0.000 1.091 203 F CA 0.631 58.678 58.000 0.078 0.000 1.399 203 F CB 0.183 39.229 39.000 0.077 0.000 1.067 203 F HN -0.145 nan 8.300 nan 0.000 0.520 204 L N -0.180 121.181 121.223 0.229 0.000 2.109 204 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 204 L C 2.394 179.277 176.870 0.023 0.000 1.086 204 L CA 0.890 55.802 54.840 0.120 0.000 0.760 204 L CB -0.664 41.475 42.059 0.133 0.000 0.910 204 L HN -0.006 nan 8.230 nan 0.000 0.437 205 K N 0.252 120.672 120.400 0.032 0.000 2.031 205 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 205 K C 0.676 177.255 176.600 -0.035 0.000 1.049 205 K CA 0.897 57.189 56.287 0.008 0.000 0.939 205 K CB -0.165 32.353 32.500 0.030 0.000 0.717 205 K HN 0.282 nan 8.250 nan 0.000 0.438 206 N N -0.887 117.778 118.700 -0.059 0.000 2.732 206 N HA 0.188 4.928 4.740 -0.000 0.000 0.247 206 N C -0.012 175.386 175.510 -0.187 0.000 1.305 206 N CA -0.001 52.988 53.050 -0.102 0.000 0.762 206 N CB 0.840 39.301 38.487 -0.043 0.000 1.361 206 N HN -0.050 nan 8.380 nan 0.000 0.545 207 A N 1.715 124.287 122.820 -0.413 0.000 1.986 207 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 207 A C 1.998 179.391 177.584 -0.319 0.000 1.171 207 A CA 2.081 53.654 52.037 -0.773 0.000 0.640 207 A CB -0.731 17.521 19.000 -1.247 0.000 0.811 207 A HN 0.695 nan 8.150 nan 0.000 0.451 208 G N -0.892 107.793 108.800 -0.193 0.000 2.402 208 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 208 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 208 G C 1.699 176.569 174.900 -0.051 0.000 1.162 208 G CA 0.625 45.669 45.100 -0.094 0.000 0.777 208 G HN 0.460 nan 8.290 nan 0.000 0.539 209 R N 0.238 120.710 120.500 -0.048 0.000 2.153 209 R HA 0.031 4.371 4.340 -0.000 0.000 0.218 209 R C 2.030 178.296 176.300 -0.057 0.000 1.072 209 R CA 1.081 57.154 56.100 -0.045 0.000 0.990 209 R CB -0.465 29.816 30.300 -0.032 0.000 0.889 209 R HN 0.449 nan 8.270 nan 0.000 0.452 210 D N 0.260 120.683 120.400 0.038 0.000 2.078 210 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 210 D C 1.646 178.025 176.300 0.131 0.000 0.990 210 D CA 1.440 55.545 54.000 0.174 0.000 0.827 210 D CB -0.004 41.017 40.800 0.368 0.000 0.975 210 D HN 0.078 nan 8.370 nan 0.000 0.451 211 C N -0.247 119.147 119.300 0.155 0.000 2.411 211 C HA -0.088 4.372 4.460 -0.000 0.000 0.279 211 C C 2.959 177.972 174.990 0.038 0.000 1.288 211 C CA 1.181 60.272 59.018 0.122 0.000 1.764 211 C CB -1.257 26.551 27.740 0.113 0.000 1.974 211 C HN 0.458 nan 8.230 nan 0.000 0.498 212 S N 0.057 115.750 115.700 -0.011 0.000 2.345 212 S HA -0.086 4.384 4.470 -0.000 0.000 0.219 212 S C 2.022 176.568 174.600 -0.090 0.000 1.031 212 S CA 0.997 59.179 58.200 -0.029 0.000 0.984 212 S CB -0.265 62.913 63.200 -0.035 0.000 0.874 212 S HN 0.601 nan 8.310 nan 0.000 0.451 213 R N 0.547 120.890 120.500 -0.261 0.000 2.241 213 R HA 0.154 4.494 4.340 -0.000 0.000 0.224 213 R C 1.782 177.916 176.300 -0.277 0.000 1.101 213 R CA 0.635 56.458 56.100 -0.461 0.000 0.995 213 R CB -0.132 29.510 30.300 -1.096 0.000 0.870 213 R HN 0.349 nan 8.270 nan 0.000 0.463 214 R N 0.381 120.845 120.500 -0.060 0.000 2.400 214 R HA -0.053 4.287 4.340 -0.000 0.000 0.207 214 R C 1.460 177.844 176.300 0.139 0.000 1.192 214 R CA 0.849 57.072 56.100 0.204 0.000 1.181 214 R CB -0.092 30.325 30.300 0.194 0.000 0.947 214 R HN 0.236 nan 8.270 nan 0.000 0.479 215 S N -1.604 114.156 115.700 0.099 0.000 2.492 215 S HA 0.003 4.473 4.470 -0.000 0.000 0.218 215 S C 0.935 175.671 174.600 0.227 0.000 1.016 215 S CA -0.373 57.875 58.200 0.080 0.000 0.916 215 S CB 0.521 63.761 63.200 0.067 0.000 0.791 215 S HN 0.104 nan 8.310 nan 0.000 0.513 216 S N 3.283 119.156 115.700 0.288 0.000 2.452 216 S HA 0.416 4.886 4.470 -0.000 0.000 0.284 216 S C -1.418 173.437 174.600 0.426 0.000 1.171 216 S CA -1.681 56.720 58.200 0.336 0.000 1.064 216 S CB 1.357 64.707 63.200 0.251 0.000 0.967 216 S HN 0.194 nan 8.310 nan 0.000 0.484 217 P HA -0.084 nan 4.420 nan 0.000 0.221 217 P C 1.633 178.941 177.300 0.013 0.000 1.150 217 P CA 0.852 63.913 63.100 -0.066 0.000 0.800 217 P CB -0.127 31.371 31.700 -0.337 0.000 0.787 218 V N -1.673 118.293 119.914 0.086 0.000 2.453 218 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 218 V C 2.430 178.576 176.094 0.088 0.000 1.048 218 V CA 1.301 63.647 62.300 0.077 0.000 1.049 218 V CB -1.617 30.282 31.823 0.126 0.000 0.672 218 V HN -0.063 nan 8.190 nan 0.000 0.457 219 Y N 0.793 121.135 120.300 0.071 0.000 2.184 219 Y HA -0.079 4.471 4.550 -0.000 0.000 0.290 219 Y C 2.354 178.295 175.900 0.069 0.000 1.129 219 Y CA 2.427 60.567 58.100 0.067 0.000 1.144 219 Y CB -0.219 38.302 38.460 0.102 0.000 0.995 219 Y HN 0.142 nan 8.280 nan 0.000 0.513 220 V N 0.222 120.259 119.914 0.204 0.000 2.515 220 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 220 V C 2.569 178.645 176.094 -0.029 0.000 1.058 220 V CA 1.753 64.131 62.300 0.130 0.000 1.064 220 V CB -1.527 30.494 31.823 0.331 0.000 0.675 220 V HN 0.638 nan 8.190 nan 0.000 0.461 221 G N 0.039 108.810 108.800 -0.047 0.000 2.459 221 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 221 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 221 G C 1.739 176.561 174.900 -0.130 0.000 1.183 221 G CA 0.732 45.782 45.100 -0.083 0.000 0.776 221 G HN 0.417 nan 8.290 nan 0.000 0.552 222 R N -0.280 120.108 120.500 -0.186 0.000 2.127 222 R HA -0.036 4.304 4.340 -0.000 0.000 0.238 222 R C 2.650 178.817 176.300 -0.222 0.000 1.134 222 R CA 1.149 57.112 56.100 -0.229 0.000 0.975 222 R CB -0.412 29.702 30.300 -0.309 0.000 0.865 222 R HN 0.342 nan 8.270 nan 0.000 0.447 223 V N -0.086 119.668 119.914 -0.266 0.000 2.283 223 V HA -0.120 4.000 4.120 -0.000 0.000 0.243 223 V C 2.433 178.439 176.094 -0.145 0.000 1.039 223 V CA 2.034 64.207 62.300 -0.211 0.000 1.016 223 V CB -1.027 30.661 31.823 -0.225 0.000 0.650 223 V HN 0.501 nan 8.190 nan 0.000 0.449 224 G N -0.513 108.215 108.800 -0.119 0.000 2.553 224 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.218 224 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.218 224 G C 1.943 176.755 174.900 -0.146 0.000 1.195 224 G CA 1.603 46.637 45.100 -0.110 0.000 0.779 224 G HN 0.485 nan 8.290 nan 0.000 0.577 225 S N 0.572 116.183 115.700 -0.148 0.000 2.359 225 S HA -0.071 4.399 4.470 -0.000 0.000 0.223 225 S C 2.530 176.985 174.600 -0.241 0.000 1.039 225 S CA 2.163 60.259 58.200 -0.174 0.000 1.042 225 S CB -0.943 62.157 63.200 -0.166 0.000 0.915 225 S HN 0.558 nan 8.310 nan 0.000 0.439 226 G N 0.738 109.384 108.800 -0.255 0.000 2.448 226 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.219 226 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.219 226 G C 1.374 176.138 174.900 -0.227 0.000 1.127 226 G CA 0.748 45.669 45.100 -0.299 0.000 0.766 226 G HN 0.453 nan 8.290 nan 0.000 0.552 227 M N 0.472 119.957 119.600 -0.191 0.000 2.562 227 M HA 0.123 4.603 4.480 -0.000 0.000 0.257 227 M C 2.503 178.644 176.300 -0.264 0.000 1.099 227 M CA 0.299 55.490 55.300 -0.182 0.000 1.099 227 M CB -0.099 32.403 32.600 -0.163 0.000 1.427 227 M HN 0.106 nan 8.290 nan 0.000 0.489 228 V N 0.817 120.557 119.914 -0.289 0.000 2.307 228 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 228 V C 2.013 177.866 176.094 -0.401 0.000 1.045 228 V CA 1.934 64.037 62.300 -0.330 0.000 1.024 228 V CB -0.387 31.280 31.823 -0.261 0.000 0.651 228 V HN 0.606 nan 8.190 nan 0.000 0.449 229 N N -3.029 115.382 118.700 -0.482 0.000 2.200 229 N HA -0.027 4.713 4.740 -0.000 0.000 0.233 229 N C 1.626 176.951 175.510 -0.308 0.000 1.236 229 N CA 0.536 53.266 53.050 -0.534 0.000 0.845 229 N CB 0.526 38.315 38.487 -1.164 0.000 1.257 229 N HN 0.385 nan 8.380 nan 0.000 0.472 230 C N 2.010 121.131 119.300 -0.299 0.000 3.617 230 C HA -0.036 4.424 4.460 -0.000 0.000 0.295 230 C C 0.761 175.692 174.990 -0.098 0.000 1.224 230 C CA 0.641 59.535 59.018 -0.206 0.000 1.817 230 C CB -1.452 26.103 27.740 -0.307 0.000 2.043 230 C HN 0.475 nan 8.230 nan 0.000 0.427 231 N N 2.511 121.167 118.700 -0.073 0.000 2.253 231 N HA -0.073 4.667 4.740 -0.000 0.000 0.291 231 N C 0.519 176.039 175.510 0.017 0.000 1.309 231 N CA 0.663 53.712 53.050 -0.003 0.000 1.097 231 N CB -0.423 38.071 38.487 0.010 0.000 1.499 231 N HN 0.669 nan 8.380 nan 0.000 0.484 232 D N -0.191 120.224 120.400 0.025 0.000 2.397 232 D HA -0.205 4.435 4.640 -0.000 0.000 0.219 232 D C 0.314 176.653 176.300 0.064 0.000 0.975 232 D CA 1.122 55.148 54.000 0.043 0.000 0.940 232 D CB 0.275 41.103 40.800 0.047 0.000 0.884 232 D HN 0.323 nan 8.370 nan 0.000 0.505 233 D N 0.111 120.554 120.400 0.072 0.000 2.355 233 D HA -0.039 4.601 4.640 -0.000 0.000 0.233 233 D C 1.753 178.121 176.300 0.114 0.000 0.997 233 D CA 0.582 54.629 54.000 0.078 0.000 0.920 233 D CB -0.085 40.755 40.800 0.067 0.000 1.063 233 D HN 0.139 nan 8.370 nan 0.000 0.465 234 Q N 1.000 120.887 119.800 0.144 0.000 2.365 234 Q HA 0.201 4.541 4.340 -0.000 0.000 0.203 234 Q C 0.759 176.984 176.000 0.375 0.000 0.929 234 Q CA -0.133 55.824 55.803 0.257 0.000 0.948 234 Q CB 0.121 29.002 28.738 0.238 0.000 1.043 234 Q HN 0.081 nan 8.270 nan 0.000 0.505 235 G N 0.310 109.223 108.800 0.189 0.000 2.474 235 G HA2 0.160 4.120 3.960 -0.000 0.000 0.233 235 G HA3 0.160 4.120 3.960 -0.000 0.000 0.233 235 G C 1.111 176.033 174.900 0.037 0.000 1.278 235 G CA -0.365 44.767 45.100 0.053 0.000 0.861 235 G HN 0.108 nan 8.290 nan 0.000 0.567 236 V N 2.573 122.299 119.914 -0.314 0.000 2.346 236 V HA 0.060 4.180 4.120 -0.000 0.000 0.244 236 V C 1.280 177.255 176.094 -0.198 0.000 1.037 236 V CA 1.224 63.164 62.300 -0.600 0.000 1.029 236 V CB -0.639 30.700 31.823 -0.807 0.000 0.663 236 V HN 0.435 nan 8.190 nan 0.000 0.454 237 L N -0.011 121.133 121.223 -0.131 0.000 2.354 237 L HA 0.558 4.898 4.340 -0.000 0.000 0.269 237 L C -0.966 175.949 176.870 0.075 0.000 1.005 237 L CA -0.698 54.149 54.840 0.012 0.000 0.819 237 L CB 2.227 44.365 42.059 0.131 0.000 1.311 237 L HN 0.118 nan 8.230 nan 0.000 0.423 238 L N 1.918 123.226 121.223 0.142 0.000 2.280 238 L HA 0.651 4.991 4.340 -0.000 0.000 0.287 238 L C 0.294 177.347 176.870 0.306 0.000 1.023 238 L CA 0.087 55.044 54.840 0.196 0.000 0.819 238 L CB 1.158 43.319 42.059 0.169 0.000 1.212 238 L HN 0.546 nan 8.230 nan 0.000 0.420 239 G N 4.390 113.384 108.800 0.323 0.000 2.527 239 G HA2 0.480 4.440 3.960 -0.000 0.000 0.248 239 G HA3 0.480 4.440 3.960 -0.000 0.000 0.248 239 G C -0.847 174.076 174.900 0.038 0.000 1.231 239 G CA -0.484 44.684 45.100 0.112 0.000 0.838 239 G HN 0.786 nan 8.290 nan 0.000 0.570 240 R N 0.791 121.043 120.500 -0.413 0.000 2.561 240 R HA 0.222 4.562 4.340 -0.000 0.000 0.266 240 R C -0.959 175.242 176.300 -0.166 0.000 1.091 240 R CA -0.847 55.195 56.100 -0.096 0.000 0.927 240 R CB 1.262 31.365 30.300 -0.328 0.000 1.240 240 R HN 0.695 nan 8.270 nan 0.000 0.449 241 W N 2.892 124.263 121.300 0.119 0.000 2.518 241 W HA 0.061 4.721 4.660 -0.000 0.000 0.352 241 W C 0.372 176.920 176.519 0.049 0.000 0.952 241 W CA -0.077 57.340 57.345 0.120 0.000 1.624 241 W CB 1.035 30.509 29.460 0.022 0.000 1.135 241 W HN 0.638 nan 8.180 nan 0.000 0.540 242 D N -0.916 119.539 120.400 0.093 0.000 2.325 242 D HA -0.051 4.589 4.640 -0.000 0.000 0.225 242 D C 0.758 176.922 176.300 -0.227 0.000 1.096 242 D CA 0.049 54.014 54.000 -0.058 0.000 0.844 242 D CB -0.366 40.389 40.800 -0.075 0.000 0.925 242 D HN -0.053 nan 8.370 nan 0.000 0.513 243 N N -0.402 118.056 118.700 -0.404 0.000 2.800 243 N HA -0.245 4.495 4.740 -0.000 0.000 0.250 243 N C -1.147 173.915 175.510 -0.747 0.000 1.078 243 N CA 0.813 53.583 53.050 -0.466 0.000 0.804 243 N CB -2.022 36.415 38.487 -0.083 0.000 1.135 243 N HN 0.459 nan 8.380 nan 0.000 0.565 244 N N 0.078 118.141 118.700 -1.063 0.000 2.898 244 N HA 0.309 5.049 4.740 -0.000 0.000 0.245 244 N C -0.865 174.210 175.510 -0.725 0.000 1.185 244 N CA -0.370 52.293 53.050 -0.644 0.000 0.879 244 N CB 0.202 38.479 38.487 -0.350 0.000 1.157 244 N HN 0.195 nan 8.380 nan 0.000 0.503 245 Y N -0.172 120.078 120.300 -0.084 0.000 2.696 245 Y HA 0.383 4.933 4.550 -0.000 0.000 0.260 245 Y C 1.855 177.816 175.900 0.101 0.000 1.165 245 Y CA -0.812 57.274 58.100 -0.023 0.000 1.189 245 Y CB 0.376 38.819 38.460 -0.028 0.000 1.180 245 Y HN 0.446 nan 8.280 nan 0.000 0.538 246 G N 0.924 109.796 108.800 0.121 0.000 2.469 246 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 246 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 246 G C 1.110 176.073 174.900 0.106 0.000 1.136 246 G CA 1.338 46.492 45.100 0.091 0.000 0.759 246 G HN 0.495 nan 8.290 nan 0.000 0.562 247 D N 0.361 120.852 120.400 0.151 0.000 2.519 247 D HA 0.375 5.015 4.640 -0.000 0.000 0.238 247 D C 0.846 177.199 176.300 0.088 0.000 1.192 247 D CA 0.471 54.536 54.000 0.110 0.000 0.835 247 D CB -0.025 40.840 40.800 0.109 0.000 0.975 247 D HN 0.368 nan 8.370 nan 0.000 0.490 248 G N -1.201 107.666 108.800 0.113 0.000 2.428 248 G HA2 0.362 4.322 3.960 -0.000 0.000 0.305 248 G HA3 0.362 4.322 3.960 -0.000 0.000 0.305 248 G C -1.758 173.150 174.900 0.013 0.000 1.260 248 G CA -0.624 44.475 45.100 -0.001 0.000 0.853 248 G HN 0.054 nan 8.290 nan 0.000 0.480 249 V N 1.662 121.528 119.914 -0.080 0.000 2.394 249 V HA 0.546 4.666 4.120 -0.000 0.000 0.282 249 V C 0.962 176.909 176.094 -0.246 0.000 1.031 249 V CA -0.164 61.941 62.300 -0.326 0.000 0.881 249 V CB 1.079 32.361 31.823 -0.902 0.000 0.982 249 V HN 1.162 nan 8.190 nan 0.000 0.451 250 S N 5.496 121.042 115.700 -0.257 0.000 2.568 250 S HA 0.192 4.662 4.470 -0.000 0.000 0.282 250 S C -1.659 172.681 174.600 -0.433 0.000 1.338 250 S CA -0.619 57.362 58.200 -0.364 0.000 1.045 250 S CB 0.966 64.040 63.200 -0.211 0.000 0.873 250 S HN 0.546 nan 8.310 nan 0.000 0.516 251 P HA -0.099 nan 4.420 nan 0.000 0.216 251 P C 1.513 178.952 177.300 0.231 0.000 1.150 251 P CA 1.253 64.281 63.100 -0.121 0.000 0.843 251 P CB 0.023 31.483 31.700 -0.400 0.000 0.787 252 M N -1.491 118.225 119.600 0.192 0.000 2.557 252 M HA -0.003 4.477 4.480 -0.000 0.000 0.259 252 M C 1.761 178.139 176.300 0.130 0.000 1.086 252 M CA 1.258 56.738 55.300 0.300 0.000 1.096 252 M CB -1.243 31.451 32.600 0.156 0.000 1.424 252 M HN -0.095 nan 8.290 nan 0.000 0.488 253 S N -0.788 114.864 115.700 -0.080 0.000 2.387 253 S HA -0.063 4.407 4.470 -0.000 0.000 0.226 253 S C 0.075 174.592 174.600 -0.138 0.000 1.026 253 S CA 0.108 58.197 58.200 -0.185 0.000 0.972 253 S CB -0.148 62.831 63.200 -0.370 0.000 0.814 253 S HN 0.480 nan 8.310 nan 0.000 0.477 254 W N 2.072 123.386 121.300 0.022 0.000 2.314 254 W HA 0.138 4.798 4.660 -0.000 0.000 0.339 254 W C 1.111 177.444 176.519 -0.310 0.000 1.293 254 W CA -0.384 56.898 57.345 -0.106 0.000 1.288 254 W CB 0.019 29.486 29.460 0.011 0.000 1.186 254 W HN 0.208 nan 8.180 nan 0.000 0.566 255 I N 1.179 121.585 120.570 -0.273 0.000 4.050 255 I HA 0.663 4.833 4.170 -0.000 0.000 0.327 255 I C 0.659 176.134 176.117 -1.070 0.000 1.473 255 I CA -0.288 60.697 61.300 -0.525 0.000 1.124 255 I CB -0.079 37.784 38.000 -0.228 0.000 1.129 255 I HN 0.410 nan 8.210 nan 0.000 0.428 256 G N 0.115 108.040 108.800 -1.457 0.000 2.387 256 G HA2 0.255 4.215 3.960 -0.000 0.000 0.294 256 G HA3 0.255 4.215 3.960 -0.000 0.000 0.294 256 G C -0.318 174.225 174.900 -0.595 0.000 1.509 256 G CA -0.082 44.182 45.100 -1.394 0.000 0.806 256 G HN -0.126 nan 8.290 nan 0.000 0.546 257 S N -0.671 115.008 115.700 -0.035 0.000 2.414 257 S HA -0.043 4.427 4.470 -0.000 0.000 0.227 257 S C 2.649 177.243 174.600 -0.010 0.000 1.022 257 S CA 1.126 59.414 58.200 0.148 0.000 0.958 257 S CB -0.068 63.322 63.200 0.317 0.000 0.797 257 S HN 0.547 nan 8.310 nan 0.000 0.493 258 V N 2.577 122.482 119.914 -0.015 0.000 2.222 258 V HA -0.305 3.815 4.120 -0.000 0.000 0.252 258 V C 2.322 178.417 176.094 0.001 0.000 1.060 258 V CA 2.417 64.717 62.300 -0.001 0.000 1.027 258 V CB -0.769 31.050 31.823 -0.005 0.000 0.644 258 V HN 0.428 nan 8.190 nan 0.000 0.448 259 D N -0.708 119.692 120.400 -0.000 0.000 2.221 259 D HA -0.145 4.495 4.640 -0.000 0.000 0.204 259 D C 1.890 178.199 176.300 0.015 0.000 0.982 259 D CA 1.242 55.280 54.000 0.064 0.000 0.857 259 D CB -0.153 40.747 40.800 0.166 0.000 0.934 259 D HN 0.510 nan 8.370 nan 0.000 0.475 260 I N -0.455 120.002 120.570 -0.189 0.000 2.193 260 I HA -0.211 3.959 4.170 -0.000 0.000 0.240 260 I C 2.006 178.072 176.117 -0.086 0.000 1.084 260 I CA 0.286 61.375 61.300 -0.352 0.000 1.365 260 I CB -0.155 37.477 38.000 -0.613 0.000 1.064 260 I HN 0.087 nan 8.210 nan 0.000 0.410 261 L N 0.822 122.017 121.223 -0.046 0.000 2.127 261 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 261 L C 2.584 179.574 176.870 0.199 0.000 1.089 261 L CA 1.793 56.671 54.840 0.063 0.000 0.757 261 L CB -1.169 40.916 42.059 0.042 0.000 0.899 261 L HN 0.200 nan 8.230 nan 0.000 0.434 262 R N -1.156 119.425 120.500 0.135 0.000 2.073 262 R HA -0.047 4.293 4.340 -0.000 0.000 0.229 262 R C 2.262 178.669 176.300 0.178 0.000 1.120 262 R CA 0.802 56.987 56.100 0.141 0.000 0.967 262 R CB -0.190 30.169 30.300 0.098 0.000 0.862 262 R HN 0.292 nan 8.270 nan 0.000 0.436 263 R N -0.636 119.987 120.500 0.205 0.000 2.152 263 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 263 R C 1.764 178.280 176.300 0.361 0.000 1.117 263 R CA 1.332 57.610 56.100 0.297 0.000 0.981 263 R CB -0.196 30.250 30.300 0.245 0.000 0.870 263 R HN 0.332 nan 8.270 nan 0.000 0.451 264 W N 2.027 123.375 121.300 0.079 0.000 2.413 264 W HA -0.143 4.517 4.660 -0.000 0.000 0.315 264 W C 2.179 178.736 176.519 0.063 0.000 1.186 264 W CA 1.243 58.620 57.345 0.053 0.000 1.326 264 W CB -0.215 29.245 29.460 0.001 0.000 1.153 264 W HN -0.160 nan 8.180 nan 0.000 0.489 265 K N 0.333 120.775 120.400 0.070 0.000 2.057 265 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 265 K C 1.494 177.998 176.600 -0.160 0.000 1.049 265 K CA 1.961 58.129 56.287 -0.197 0.000 0.931 265 K CB -0.756 31.729 32.500 -0.025 0.000 0.714 265 K HN 0.279 nan 8.250 nan 0.000 0.440 266 N N -0.384 118.271 118.700 -0.074 0.000 2.609 266 N HA -0.100 4.640 4.740 -0.000 0.000 0.190 266 N C -0.159 175.109 175.510 -0.402 0.000 1.157 266 N CA 0.330 53.262 53.050 -0.196 0.000 0.918 266 N CB 0.033 38.410 38.487 -0.183 0.000 0.978 266 N HN 0.313 nan 8.380 nan 0.000 0.448 267 H N -1.348 117.665 119.070 -0.096 0.000 2.637 267 H HA 0.259 4.815 4.556 -0.000 0.000 0.245 267 H C 0.672 175.913 175.328 -0.144 0.000 1.190 267 H CA -0.017 55.980 56.048 -0.085 0.000 0.934 267 H CB 0.716 30.455 29.762 -0.038 0.000 1.950 267 H HN 0.114 nan 8.280 nan 0.000 0.614 268 G N 0.411 109.125 108.800 -0.143 0.000 2.221 268 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.265 268 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.265 268 G C 0.575 175.282 174.900 -0.321 0.000 1.041 268 G CA 0.074 45.055 45.100 -0.197 0.000 0.807 268 G HN 0.601 nan 8.290 nan 0.000 0.502 269 C N -1.171 117.757 119.300 -0.621 0.000 4.300 269 C HA -0.130 4.330 4.460 -0.000 0.000 0.304 269 C C 0.844 175.623 174.990 -0.352 0.000 1.367 269 C CA 1.327 59.690 59.018 -1.092 0.000 2.032 269 C CB -2.172 24.991 27.740 -0.961 0.000 1.285 269 C HN 0.821 nan 8.230 nan 0.000 0.737 270 Q N -0.615 119.107 119.800 -0.131 0.000 2.282 270 Q HA 0.470 4.810 4.340 -0.000 0.000 0.260 270 Q C 0.330 176.457 176.000 0.212 0.000 0.964 270 Q CA -0.670 55.174 55.803 0.068 0.000 0.880 270 Q CB 1.213 29.970 28.738 0.031 0.000 1.286 270 Q HN 0.518 nan 8.270 nan 0.000 0.445 271 R N 0.631 121.249 120.500 0.197 0.000 2.523 271 R HA 0.003 4.343 4.340 -0.000 0.000 0.281 271 R C -0.466 175.892 176.300 0.097 0.000 0.969 271 R CA 0.059 56.258 56.100 0.166 0.000 1.093 271 R CB 0.034 30.395 30.300 0.102 0.000 0.917 271 R HN 0.289 nan 8.270 nan 0.000 0.408 272 V N 4.051 124.021 119.914 0.093 0.000 2.546 272 V HA 0.101 4.221 4.120 -0.000 0.000 0.284 272 V C 0.241 176.330 176.094 -0.007 0.000 1.050 272 V CA -0.383 61.945 62.300 0.046 0.000 0.981 272 V CB 1.459 33.317 31.823 0.059 0.000 0.990 272 V HN 0.561 nan 8.190 nan 0.000 0.474 273 K N 4.236 124.545 120.400 -0.150 0.000 2.262 273 K HA 0.570 4.890 4.320 -0.000 0.000 0.282 273 K C -1.265 175.277 176.600 -0.097 0.000 1.066 273 K CA 0.156 56.095 56.287 -0.579 0.000 0.901 273 K CB 0.486 32.330 32.500 -1.092 0.000 1.089 273 K HN 0.552 nan 8.250 nan 0.000 0.476 274 Y N -0.284 120.175 120.300 0.266 0.000 2.644 274 Y HA 0.672 5.222 4.550 -0.000 0.000 0.338 274 Y C 0.562 176.527 175.900 0.108 0.000 1.119 274 Y CA -1.064 57.110 58.100 0.123 0.000 1.060 274 Y CB 2.483 40.944 38.460 0.002 0.000 1.294 274 Y HN 0.595 nan 8.280 nan 0.000 0.472 275 G N 0.096 108.943 108.800 0.078 0.000 2.730 275 G HA2 0.736 4.696 3.960 -0.000 0.000 0.289 275 G HA3 0.736 4.696 3.960 -0.000 0.000 0.289 275 G C -1.724 172.648 174.900 -0.879 0.000 1.341 275 G CA -0.674 44.246 45.100 -0.300 0.000 0.932 275 G HN 0.466 nan 8.290 nan 0.000 0.481 276 Q N -1.700 117.266 119.800 -1.390 0.000 2.857 276 Q HA 0.270 4.610 4.340 -0.000 0.000 0.319 276 Q C 1.640 176.781 176.000 -1.432 0.000 0.963 276 Q CA -0.464 54.545 55.803 -1.323 0.000 0.770 276 Q CB 1.994 30.142 28.738 -0.983 0.000 1.492 276 Q HN 0.837 nan 8.270 nan 0.000 0.493 277 C N -0.424 118.693 119.300 -0.305 0.000 2.376 277 C HA -0.157 4.303 4.460 -0.000 0.000 0.275 277 C C 2.159 177.037 174.990 -0.187 0.000 1.200 277 C CA 1.578 60.607 59.018 0.019 0.000 1.756 277 C CB -1.630 26.531 27.740 0.702 0.000 2.050 277 C HN 1.005 nan 8.230 nan 0.000 0.460 278 W N 2.071 123.316 121.300 -0.091 0.000 2.392 278 W HA 0.107 4.767 4.660 -0.000 0.000 0.279 278 W C 1.780 178.091 176.519 -0.347 0.000 1.225 278 W CA 1.322 58.549 57.345 -0.196 0.000 1.233 278 W CB -1.108 28.238 29.460 -0.191 0.000 1.122 278 W HN 0.220 nan 8.180 nan 0.000 0.561 279 V N 1.262 120.425 119.914 -1.251 0.000 2.323 279 V HA -0.272 3.848 4.120 -0.000 0.000 0.244 279 V C 2.338 178.200 176.094 -0.386 0.000 1.041 279 V CA 1.721 63.539 62.300 -0.803 0.000 1.025 279 V CB -1.173 30.195 31.823 -0.758 0.000 0.656 279 V HN 0.064 nan 8.190 nan 0.000 0.451 280 F N 1.444 121.211 119.950 -0.305 0.000 2.069 280 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 280 F C 2.568 178.276 175.800 -0.154 0.000 1.113 280 F CA 1.185 59.076 58.000 -0.182 0.000 1.214 280 F CB -1.730 37.223 39.000 -0.079 0.000 0.978 280 F HN 0.128 nan 8.300 nan 0.000 0.474 281 A N 0.037 122.892 122.820 0.057 0.000 1.902 281 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 281 A C 2.471 180.013 177.584 -0.071 0.000 1.181 281 A CA 2.050 54.087 52.037 0.001 0.000 0.623 281 A CB -1.309 17.687 19.000 -0.007 0.000 0.818 281 A HN 0.325 nan 8.150 nan 0.000 0.443 282 A N -0.235 122.465 122.820 -0.200 0.000 1.877 282 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 282 A C 2.394 179.987 177.584 0.015 0.000 1.186 282 A CA 2.156 54.046 52.037 -0.246 0.000 0.620 282 A CB -1.219 17.120 19.000 -1.102 0.000 0.822 282 A HN 1.241 nan 8.150 nan 0.000 0.443 283 V N -1.790 118.121 119.914 -0.005 0.000 2.548 283 V HA 0.020 4.140 4.120 -0.000 0.000 0.249 283 V C 2.416 178.503 176.094 -0.011 0.000 1.055 283 V CA 1.954 64.278 62.300 0.039 0.000 1.065 283 V CB -0.991 30.806 31.823 -0.043 0.000 0.681 283 V HN 0.544 nan 8.190 nan 0.000 0.462 284 A N -0.456 122.343 122.820 -0.036 0.000 1.933 284 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 284 A C 2.495 180.046 177.584 -0.055 0.000 1.175 284 A CA 2.024 54.028 52.037 -0.055 0.000 0.628 284 A CB -1.434 17.538 19.000 -0.047 0.000 0.814 284 A HN 0.770 nan 8.150 nan 0.000 0.444 285 C N -1.166 118.096 119.300 -0.064 0.000 2.429 285 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 285 C C 2.931 177.818 174.990 -0.172 0.000 1.262 285 C CA 1.957 60.878 59.018 -0.163 0.000 1.733 285 C CB -1.512 26.044 27.740 -0.306 0.000 2.010 285 C HN 0.601 nan 8.230 nan 0.000 0.483 286 T N 0.511 115.049 114.554 -0.027 0.000 2.652 286 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 286 T C 1.795 176.488 174.700 -0.012 0.000 1.039 286 T CA 2.118 64.235 62.100 0.029 0.000 1.153 286 T CB -0.386 68.589 68.868 0.178 0.000 0.863 286 T HN 0.436 nan 8.240 nan 0.000 0.428 287 V N 1.623 121.532 119.914 -0.008 0.000 2.255 287 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 287 V C 2.528 178.633 176.094 0.018 0.000 1.051 287 V CA 1.662 63.962 62.300 0.001 0.000 1.018 287 V CB -0.755 31.048 31.823 -0.033 0.000 0.641 287 V HN 0.446 nan 8.190 nan 0.000 0.445 288 L N -0.758 120.458 121.223 -0.012 0.000 2.127 288 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 288 L C 2.758 179.640 176.870 0.020 0.000 1.089 288 L CA 1.564 56.401 54.840 -0.004 0.000 0.757 288 L CB -0.593 41.442 42.059 -0.039 0.000 0.899 288 L HN 0.257 nan 8.230 nan 0.000 0.434 289 R N -1.069 119.420 120.500 -0.018 0.000 2.073 289 R HA -0.136 4.204 4.340 -0.000 0.000 0.229 289 R C 2.507 178.865 176.300 0.097 0.000 1.120 289 R CA 1.448 57.544 56.100 -0.007 0.000 0.967 289 R CB -0.705 29.507 30.300 -0.148 0.000 0.862 289 R HN 0.435 nan 8.270 nan 0.000 0.436 290 C N 0.967 120.317 119.300 0.082 0.000 2.413 290 C HA -0.091 4.368 4.460 -0.000 0.000 0.277 290 C C 2.279 177.448 174.990 0.299 0.000 1.228 290 C CA 0.678 59.829 59.018 0.221 0.000 1.731 290 C CB -0.874 26.963 27.740 0.162 0.000 2.042 290 C HN 0.352 nan 8.230 nan 0.000 0.468 291 L N 1.126 122.494 121.223 0.242 0.000 2.549 291 L HA 0.188 4.528 4.340 -0.000 0.000 0.229 291 L C 2.168 179.292 176.870 0.422 0.000 1.158 291 L CA 1.959 56.989 54.840 0.317 0.000 0.842 291 L CB -1.300 40.946 42.059 0.311 0.000 0.952 291 L HN 0.721 nan 8.230 nan 0.000 0.452 292 G N -1.127 107.875 108.800 0.337 0.000 2.176 292 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.232 292 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.232 292 G C 0.458 175.477 174.900 0.198 0.000 0.986 292 G CA -0.045 45.270 45.100 0.358 0.000 0.643 292 G HN 0.271 nan 8.290 nan 0.000 0.522 293 I N 2.191 122.779 120.570 0.030 0.000 2.352 293 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 293 I C -2.039 174.074 176.117 -0.006 0.000 1.036 293 I CA -2.167 59.060 61.300 -0.123 0.000 1.336 293 I CB 1.311 39.145 38.000 -0.277 0.000 1.407 293 I HN -0.155 nan 8.210 nan 0.000 0.497 294 P HA 0.044 nan 4.420 nan 0.000 0.262 294 P C -0.870 176.514 177.300 0.141 0.000 1.199 294 P CA 0.465 63.611 63.100 0.076 0.000 0.763 294 P CB 0.453 32.153 31.700 -0.001 0.000 0.790 295 T N 3.873 118.500 114.554 0.122 0.000 2.916 295 T HA 0.622 4.972 4.350 -0.000 0.000 0.305 295 T C -0.621 174.053 174.700 -0.042 0.000 1.119 295 T CA -0.966 61.176 62.100 0.070 0.000 1.008 295 T CB 1.661 70.514 68.868 -0.024 0.000 1.129 295 T HN 0.391 nan 8.240 nan 0.000 0.480 296 R N 0.127 120.535 120.500 -0.153 0.000 2.673 296 R HA 0.800 5.140 4.340 -0.000 0.000 0.281 296 R C -1.143 175.036 176.300 -0.201 0.000 0.991 296 R CA -0.951 55.030 56.100 -0.199 0.000 0.896 296 R CB 1.537 31.652 30.300 -0.308 0.000 1.201 296 R HN 0.469 nan 8.270 nan 0.000 0.457 297 V N 3.061 122.896 119.914 -0.132 0.000 2.546 297 V HA 0.476 4.596 4.120 -0.000 0.000 0.284 297 V C -0.661 175.320 176.094 -0.188 0.000 1.050 297 V CA -0.153 62.068 62.300 -0.131 0.000 0.981 297 V CB 1.412 33.196 31.823 -0.064 0.000 0.990 297 V HN 0.626 nan 8.190 nan 0.000 0.474 298 V N 5.241 124.949 119.914 -0.345 0.000 2.815 298 V HA 0.646 4.766 4.120 -0.000 0.000 0.314 298 V C 0.151 175.863 176.094 -0.636 0.000 1.064 298 V CA -0.351 61.648 62.300 -0.501 0.000 0.952 298 V CB 2.651 34.051 31.823 -0.704 0.000 1.020 298 V HN 1.060 nan 8.190 nan 0.000 0.439 299 T N 3.123 117.338 114.554 -0.565 0.000 2.861 299 T HA 0.433 4.783 4.350 -0.000 0.000 0.287 299 T C -0.798 173.503 174.700 -0.665 0.000 1.003 299 T CA -0.558 61.187 62.100 -0.591 0.000 0.977 299 T CB 1.359 69.936 68.868 -0.486 0.000 0.996 299 T HN 0.642 nan 8.240 nan 0.000 0.448 300 N N 1.416 119.730 118.700 -0.643 0.000 2.354 300 N HA 0.432 5.172 4.740 -0.000 0.000 0.287 300 N C -1.717 173.648 175.510 -0.243 0.000 1.016 300 N CA -0.560 52.250 53.050 -0.399 0.000 0.871 300 N CB 0.688 38.987 38.487 -0.313 0.000 1.299 300 N HN 0.463 nan 8.380 nan 0.000 0.482 301 Y N 1.924 122.259 120.300 0.058 0.000 2.352 301 Y HA 0.322 4.872 4.550 -0.000 0.000 0.326 301 Y C 0.567 176.560 175.900 0.155 0.000 1.166 301 Y CA -0.522 57.671 58.100 0.155 0.000 1.182 301 Y CB 0.923 39.441 38.460 0.096 0.000 1.216 301 Y HN 0.557 nan 8.280 nan 0.000 0.474 302 N N 0.634 119.536 118.700 0.336 0.000 2.696 302 N HA -0.215 4.525 4.740 -0.000 0.000 0.256 302 N C -0.842 174.793 175.510 0.210 0.000 1.031 302 N CA 0.592 53.790 53.050 0.247 0.000 0.730 302 N CB -1.047 37.557 38.487 0.195 0.000 0.894 302 N HN 0.436 nan 8.380 nan 0.000 0.544 303 S N -0.292 115.554 115.700 0.243 0.000 2.452 303 S HA 0.625 5.095 4.470 -0.000 0.000 0.284 303 S C 0.554 175.233 174.600 0.131 0.000 1.171 303 S CA -0.230 58.092 58.200 0.204 0.000 1.064 303 S CB 0.606 63.977 63.200 0.285 0.000 0.967 303 S HN 0.428 nan 8.310 nan 0.000 0.484 304 A N 4.771 127.637 122.820 0.076 0.000 3.037 304 A HA 0.284 4.604 4.320 -0.000 0.000 0.272 304 A C -0.002 177.549 177.584 -0.054 0.000 1.723 304 A CA -0.146 51.907 52.037 0.028 0.000 1.413 304 A CB -0.763 18.238 19.000 0.002 0.000 1.112 304 A HN 0.950 nan 8.150 nan 0.000 0.606 305 H N 0.438 119.297 119.070 -0.351 0.000 2.496 305 H HA 0.356 4.912 4.556 -0.000 0.000 0.342 305 H C 0.463 175.523 175.328 -0.447 0.000 1.170 305 H CA 0.228 55.919 56.048 -0.595 0.000 1.274 305 H CB 0.765 29.690 29.762 -1.394 0.000 1.538 305 H HN 0.567 nan 8.280 nan 0.000 0.542 306 D N 0.972 120.866 120.400 -0.842 0.000 2.983 306 D HA -0.192 4.448 4.640 -0.000 0.000 0.225 306 D C -0.680 175.520 176.300 -0.167 0.000 1.174 306 D CA 0.788 54.514 54.000 -0.458 0.000 0.831 306 D CB -0.348 40.276 40.800 -0.294 0.000 1.104 306 D HN 0.553 nan 8.370 nan 0.000 0.421 307 Q N 0.108 119.828 119.800 -0.133 0.000 2.222 307 Q HA 0.224 4.564 4.340 -0.000 0.000 0.252 307 Q C 0.746 176.701 176.000 -0.075 0.000 0.926 307 Q CA -0.457 55.302 55.803 -0.075 0.000 0.899 307 Q CB 0.716 29.409 28.738 -0.075 0.000 1.250 307 Q HN 0.052 nan 8.270 nan 0.000 0.441 308 N N 1.557 120.221 118.700 -0.061 0.000 3.105 308 N HA -0.088 4.652 4.740 -0.000 0.000 0.309 308 N C -0.106 175.223 175.510 -0.301 0.000 1.291 308 N CA 0.647 53.667 53.050 -0.051 0.000 1.153 308 N CB -0.249 38.230 38.487 -0.014 0.000 1.447 308 N HN 0.749 nan 8.380 nan 0.000 0.555 309 S N -0.709 114.738 115.700 -0.422 0.000 3.382 309 S HA -0.269 4.201 4.470 -0.000 0.000 0.293 309 S C 0.083 174.486 174.600 -0.329 0.000 1.262 309 S CA 0.827 58.667 58.200 -0.600 0.000 0.969 309 S CB -2.379 60.087 63.200 -1.223 0.000 1.136 309 S HN 0.654 nan 8.310 nan 0.000 0.635 310 N N 1.197 119.765 118.700 -0.220 0.000 2.483 310 N HA 0.379 5.119 4.740 -0.000 0.000 0.264 310 N C 0.878 176.306 175.510 -0.138 0.000 1.197 310 N CA 0.180 53.140 53.050 -0.149 0.000 0.927 310 N CB 0.265 38.689 38.487 -0.105 0.000 1.065 310 N HN 0.517 nan 8.380 nan 0.000 0.461 311 L N 2.759 123.909 121.223 -0.122 0.000 2.607 311 L HA 0.262 4.602 4.340 -0.000 0.000 0.228 311 L C 0.122 176.976 176.870 -0.027 0.000 1.123 311 L CA 0.045 54.803 54.840 -0.137 0.000 0.890 311 L CB 0.083 41.996 42.059 -0.243 0.000 1.103 311 L HN 0.446 nan 8.230 nan 0.000 0.468 312 L N 1.597 122.807 121.223 -0.023 0.000 2.485 312 L HA 0.476 4.816 4.340 -0.000 0.000 0.260 312 L C -0.974 175.873 176.870 -0.039 0.000 0.998 312 L CA -0.201 54.639 54.840 0.000 0.000 0.883 312 L CB 1.395 43.473 42.059 0.031 0.000 1.196 312 L HN -0.010 nan 8.230 nan 0.000 0.443 313 I N 3.721 124.244 120.570 -0.079 0.000 2.331 313 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 313 I C 0.068 176.013 176.117 -0.286 0.000 0.998 313 I CA -0.267 60.921 61.300 -0.187 0.000 1.267 313 I CB 1.556 39.442 38.000 -0.190 0.000 1.386 313 I HN 0.490 nan 8.210 nan 0.000 0.476 314 E N 5.819 125.825 120.200 -0.323 0.000 2.199 314 E HA 0.517 4.867 4.350 -0.000 0.000 0.269 314 E C -1.609 174.710 176.600 -0.469 0.000 0.899 314 E CA -0.733 55.501 56.400 -0.276 0.000 0.772 314 E CB 2.240 31.977 29.700 0.062 0.000 1.155 314 E HN 0.390 nan 8.360 nan 0.000 0.408 315 Y N 0.906 121.118 120.300 -0.146 0.000 2.485 315 Y HA 0.471 5.021 4.550 -0.000 0.000 0.345 315 Y C -0.683 175.007 175.900 -0.351 0.000 0.998 315 Y CA -1.058 56.987 58.100 -0.092 0.000 1.059 315 Y CB 1.425 39.869 38.460 -0.026 0.000 1.234 315 Y HN 0.415 nan 8.280 nan 0.000 0.461 316 F N 1.994 122.132 119.950 0.313 0.000 2.460 316 F HA 0.611 5.138 4.527 -0.000 0.000 0.341 316 F C -0.112 175.786 175.800 0.164 0.000 1.130 316 F CA -0.953 57.183 58.000 0.227 0.000 0.962 316 F CB 1.355 40.427 39.000 0.120 0.000 1.171 316 F HN 0.261 nan 8.300 nan 0.000 0.436 317 R N 1.540 122.170 120.500 0.217 0.000 2.720 317 R HA 0.453 4.793 4.340 -0.000 0.000 0.272 317 R C -0.141 176.239 176.300 0.134 0.000 0.991 317 R CA -1.117 55.071 56.100 0.147 0.000 1.010 317 R CB 1.232 31.581 30.300 0.083 0.000 1.141 317 R HN 0.680 nan 8.270 nan 0.000 0.494 318 N N 0.042 118.817 118.700 0.124 0.000 2.374 318 N HA -0.092 4.648 4.740 -0.000 0.000 0.284 318 N C 0.576 176.157 175.510 0.119 0.000 1.280 318 N CA -0.441 52.679 53.050 0.117 0.000 0.963 318 N CB 0.161 38.718 38.487 0.118 0.000 1.141 318 N HN 0.724 nan 8.380 nan 0.000 0.565 319 E N -1.246 119.034 120.200 0.134 0.000 2.463 319 E HA -0.194 4.156 4.350 -0.000 0.000 0.201 319 E C -0.201 176.526 176.600 0.212 0.000 1.045 319 E CA 0.677 57.172 56.400 0.158 0.000 0.872 319 E CB -0.325 29.462 29.700 0.145 0.000 0.797 319 E HN 0.596 nan 8.360 nan 0.000 0.538 320 F N 0.052 120.035 119.950 0.054 0.000 2.791 320 F HA 0.371 4.898 4.527 -0.000 0.000 0.308 320 F C 1.278 177.111 175.800 0.055 0.000 1.138 320 F CA 0.460 58.492 58.000 0.052 0.000 1.294 320 F CB 0.746 39.768 39.000 0.036 0.000 0.975 320 F HN 0.151 nan 8.300 nan 0.000 0.512 321 G N 0.945 109.782 108.800 0.061 0.000 2.228 321 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.270 321 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.270 321 G C 0.398 175.339 174.900 0.068 0.000 0.976 321 G CA 0.617 45.735 45.100 0.029 0.000 0.636 321 G HN 0.431 nan 8.290 nan 0.000 0.542 322 E N 0.915 121.197 120.200 0.137 0.000 2.351 322 E HA 0.414 4.764 4.350 -0.000 0.000 0.266 322 E C 0.987 177.644 176.600 0.094 0.000 1.031 322 E CA -0.473 55.998 56.400 0.119 0.000 0.911 322 E CB -0.038 29.755 29.700 0.155 0.000 0.986 322 E HN 0.381 nan 8.360 nan 0.000 0.446 323 I N 4.793 125.399 120.570 0.060 0.000 2.741 323 I HA -0.096 4.074 4.170 -0.000 0.000 0.288 323 I C 0.579 176.761 176.117 0.109 0.000 1.192 323 I CA 0.220 61.569 61.300 0.081 0.000 1.426 323 I CB 0.519 38.519 38.000 0.001 0.000 1.367 323 I HN 0.388 nan 8.210 nan 0.000 0.563 324 Q N 6.308 126.204 119.800 0.159 0.000 2.402 324 Q HA 0.205 4.545 4.340 -0.000 0.000 0.238 324 Q C 0.470 176.547 176.000 0.128 0.000 1.126 324 Q CA -0.168 55.715 55.803 0.134 0.000 0.904 324 Q CB 0.802 29.624 28.738 0.140 0.000 1.357 324 Q HN 0.799 nan 8.270 nan 0.000 0.491 325 G N 3.302 112.157 108.800 0.090 0.000 2.765 325 G HA2 0.118 4.078 3.960 -0.000 0.000 0.230 325 G HA3 0.118 4.078 3.960 -0.000 0.000 0.230 325 G C 0.308 175.251 174.900 0.071 0.000 1.238 325 G CA 0.589 45.735 45.100 0.076 0.000 0.854 325 G HN 0.799 nan 8.290 nan 0.000 0.579 326 D N -0.918 119.521 120.400 0.065 0.000 5.300 326 D HA -0.090 4.550 4.640 -0.000 0.000 0.374 326 D C 0.636 176.968 176.300 0.052 0.000 1.838 326 D CA -0.440 53.590 54.000 0.051 0.000 1.058 326 D CB -0.624 40.207 40.800 0.052 0.000 1.481 326 D HN 0.334 nan 8.370 nan 0.000 0.678 327 K N 0.306 120.737 120.400 0.051 0.000 2.393 327 K HA 0.358 4.678 4.320 -0.000 0.000 0.193 327 K C 0.589 177.230 176.600 0.068 0.000 1.026 327 K CA 0.114 56.428 56.287 0.046 0.000 1.064 327 K CB 0.216 32.732 32.500 0.027 0.000 0.833 327 K HN 0.220 nan 8.250 nan 0.000 0.521 328 S N 1.604 117.368 115.700 0.107 0.000 2.533 328 S HA 0.026 4.496 4.470 -0.000 0.000 0.282 328 S C -0.155 174.557 174.600 0.187 0.000 1.304 328 S CA -0.354 57.939 58.200 0.155 0.000 1.063 328 S CB 0.475 63.824 63.200 0.248 0.000 0.881 328 S HN 0.200 nan 8.310 nan 0.000 0.493 329 E N 3.499 123.811 120.200 0.187 0.000 2.249 329 E HA 0.273 4.623 4.350 -0.000 0.000 0.280 329 E C -0.283 176.496 176.600 0.298 0.000 1.016 329 E CA -0.545 55.970 56.400 0.192 0.000 0.830 329 E CB 0.462 30.250 29.700 0.148 0.000 1.081 329 E HN 0.390 nan 8.360 nan 0.000 0.395 330 M N 3.308 123.034 119.600 0.210 0.000 2.228 330 M HA 0.222 4.702 4.480 -0.000 0.000 0.326 330 M C 0.106 176.566 176.300 0.268 0.000 1.122 330 M CA -0.669 54.721 55.300 0.149 0.000 1.161 330 M CB 0.306 32.900 32.600 -0.010 0.000 1.437 330 M HN 0.513 nan 8.290 nan 0.000 0.465 331 I N 1.561 122.264 120.570 0.222 0.000 2.618 331 I HA -0.053 4.117 4.170 -0.000 0.000 0.284 331 I C -0.289 176.031 176.117 0.339 0.000 1.146 331 I CA -0.264 61.202 61.300 0.277 0.000 1.425 331 I CB -0.036 38.084 38.000 0.199 0.000 1.383 331 I HN 0.530 nan 8.210 nan 0.000 0.562 332 W N 5.899 127.215 121.300 0.026 0.000 2.238 332 W HA 0.190 4.850 4.660 -0.000 0.000 0.321 332 W C 1.495 178.042 176.519 0.048 0.000 1.293 332 W CA -0.409 56.916 57.345 -0.034 0.000 1.204 332 W CB -0.343 29.071 29.460 -0.078 0.000 1.167 332 W HN 0.482 nan 8.180 nan 0.000 0.553 333 N N 1.619 120.436 118.700 0.196 0.000 2.137 333 N HA -0.114 4.626 4.740 -0.000 0.000 0.190 333 N C -0.281 175.525 175.510 0.493 0.000 1.017 333 N CA 1.681 54.905 53.050 0.290 0.000 0.859 333 N CB -0.231 38.404 38.487 0.247 0.000 1.002 333 N HN 0.320 nan 8.380 nan 0.000 0.428 334 F N -3.505 116.669 119.950 0.372 0.000 2.725 334 F HA 0.539 5.066 4.527 -0.000 0.000 0.309 334 F C -1.273 174.822 175.800 0.490 0.000 1.132 334 F CA -1.386 56.729 58.000 0.193 0.000 0.957 334 F CB 0.901 39.798 39.000 -0.172 0.000 1.286 334 F HN -0.145 nan 8.300 nan 0.000 0.440 335 H N 1.051 120.384 119.070 0.438 0.000 2.894 335 H HA 0.791 5.347 4.556 -0.000 0.000 0.367 335 H C -1.770 173.703 175.328 0.241 0.000 1.144 335 H CA -1.225 55.064 56.048 0.401 0.000 1.180 335 H CB 1.996 31.815 29.762 0.095 0.000 1.758 335 H HN 1.111 nan 8.280 nan 0.000 0.541 336 C N 4.211 123.382 119.300 -0.215 0.000 2.493 336 C HA 0.761 5.221 4.460 -0.000 0.000 0.326 336 C C -0.935 173.887 174.990 -0.279 0.000 1.200 336 C CA -0.431 58.403 59.018 -0.306 0.000 1.739 336 C CB -0.472 27.275 27.740 0.012 0.000 2.300 336 C HN 0.900 nan 8.230 nan 0.000 0.500 337 W N 1.095 122.218 121.300 -0.296 0.000 2.940 337 W HA 0.774 5.434 4.660 -0.000 0.000 0.394 337 W C -1.095 175.351 176.519 -0.122 0.000 1.155 337 W CA -0.942 56.291 57.345 -0.187 0.000 1.165 337 W CB -0.205 29.150 29.460 -0.176 0.000 1.492 337 W HN 0.648 nan 8.180 nan 0.000 0.593 338 V N -1.391 118.679 119.914 0.260 0.000 3.046 338 V HA 0.770 4.890 4.120 -0.000 0.000 0.316 338 V C -0.948 175.260 176.094 0.190 0.000 1.104 338 V CA -1.166 61.191 62.300 0.095 0.000 1.006 338 V CB 1.886 33.724 31.823 0.026 0.000 1.058 338 V HN 0.732 nan 8.190 nan 0.000 0.440 339 E N 1.059 121.288 120.200 0.049 0.000 2.224 339 E HA 0.642 4.992 4.350 -0.000 0.000 0.265 339 E C -1.249 175.501 176.600 0.250 0.000 0.878 339 E CA -0.515 55.955 56.400 0.116 0.000 0.759 339 E CB 2.267 31.877 29.700 -0.149 0.000 1.164 339 E HN 0.811 nan 8.360 nan 0.000 0.414 340 S N 2.295 118.211 115.700 0.359 0.000 2.500 340 S HA 0.333 4.803 4.470 -0.000 0.000 0.301 340 S C -1.378 173.400 174.600 0.297 0.000 1.092 340 S CA -0.806 57.584 58.200 0.317 0.000 1.030 340 S CB 1.101 64.359 63.200 0.096 0.000 1.031 340 S HN 0.457 nan 8.310 nan 0.000 0.483 341 W N 6.920 128.114 121.300 -0.176 0.000 2.331 341 W HA 0.593 5.253 4.660 -0.000 0.000 0.306 341 W C -0.827 175.497 176.519 -0.324 0.000 1.162 341 W CA -0.589 56.419 57.345 -0.561 0.000 1.232 341 W CB 0.544 29.375 29.460 -1.049 0.000 1.235 341 W HN 0.783 nan 8.180 nan 0.000 0.479 342 M N 3.808 122.977 119.600 -0.719 0.000 3.012 342 M HA 0.327 4.807 4.480 -0.000 0.000 0.272 342 M C -1.428 174.581 176.300 -0.485 0.000 1.187 342 M CA -0.733 54.289 55.300 -0.464 0.000 0.813 342 M CB 1.941 34.405 32.600 -0.226 0.000 1.626 342 M HN 0.103 nan 8.290 nan 0.000 0.507 343 T N 0.295 114.690 114.554 -0.264 0.000 2.928 343 T HA 0.612 4.962 4.350 -0.000 0.000 0.284 343 T C -0.616 174.027 174.700 -0.096 0.000 1.008 343 T CA -0.546 61.441 62.100 -0.190 0.000 1.057 343 T CB 0.745 69.550 68.868 -0.105 0.000 1.018 343 T HN 0.626 nan 8.240 nan 0.000 0.493 344 R N 4.143 124.609 120.500 -0.057 0.000 2.587 344 R HA 0.260 4.600 4.340 -0.000 0.000 0.283 344 R C -1.855 174.457 176.300 0.020 0.000 1.472 344 R CA -2.191 53.910 56.100 0.002 0.000 1.578 344 R CB 0.960 31.278 30.300 0.031 0.000 1.130 344 R HN 0.591 nan 8.270 nan 0.000 0.602 345 P HA -0.127 nan 4.420 nan 0.000 0.223 345 P C 0.377 177.693 177.300 0.027 0.000 1.151 345 P CA 0.929 64.042 63.100 0.021 0.000 0.787 345 P CB 0.327 32.044 31.700 0.027 0.000 0.788 346 D N -0.486 119.938 120.400 0.040 0.000 2.338 346 D HA 0.020 4.660 4.640 -0.000 0.000 0.239 346 D C 0.627 176.935 176.300 0.014 0.000 1.095 346 D CA 0.215 54.235 54.000 0.034 0.000 0.888 346 D CB -0.358 40.478 40.800 0.059 0.000 0.899 346 D HN 0.231 nan 8.370 nan 0.000 0.525 347 L N -1.014 120.226 121.223 0.029 0.000 2.389 347 L HA 0.261 4.601 4.340 -0.000 0.000 0.249 347 L C 0.126 177.014 176.870 0.030 0.000 1.083 347 L CA -1.393 53.475 54.840 0.047 0.000 0.876 347 L CB 1.194 43.328 42.059 0.125 0.000 1.489 347 L HN -0.279 nan 8.230 nan 0.000 0.412 348 Q N 1.995 121.808 119.800 0.023 0.000 2.369 348 Q HA 0.131 4.471 4.340 -0.000 0.000 0.295 348 Q C -2.245 173.688 176.000 -0.112 0.000 1.075 348 Q CA -1.093 54.674 55.803 -0.061 0.000 0.941 348 Q CB -0.309 28.359 28.738 -0.118 0.000 1.260 348 Q HN 0.239 nan 8.270 nan 0.000 0.417 349 P HA 0.029 nan 4.420 nan 0.000 0.269 349 P C 0.452 177.633 177.300 -0.199 0.000 1.215 349 P CA 0.553 63.586 63.100 -0.113 0.000 0.780 349 P CB 0.473 32.124 31.700 -0.081 0.000 0.898 350 G N 0.660 109.370 108.800 -0.151 0.000 2.175 350 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 350 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 350 G C 0.119 174.934 174.900 -0.142 0.000 0.982 350 G CA -0.283 44.714 45.100 -0.172 0.000 0.641 350 G HN 0.460 nan 8.290 nan 0.000 0.527 351 Y N 2.319 122.577 120.300 -0.070 0.000 2.683 351 Y HA 0.299 4.849 4.550 -0.000 0.000 0.297 351 Y C 1.307 177.115 175.900 -0.152 0.000 1.147 351 Y CA -0.663 57.385 58.100 -0.087 0.000 1.274 351 Y CB -0.026 38.396 38.460 -0.063 0.000 1.143 351 Y HN 0.557 nan 8.280 nan 0.000 0.527 352 E N -0.549 119.617 120.200 -0.056 0.000 2.371 352 E HA 0.552 4.902 4.350 -0.000 0.000 0.257 352 E C 0.774 177.095 176.600 -0.465 0.000 1.134 352 E CA 0.371 56.611 56.400 -0.267 0.000 0.919 352 E CB 1.874 31.412 29.700 -0.270 0.000 1.025 352 E HN 0.297 nan 8.360 nan 0.000 0.438 353 G N 0.619 108.824 108.800 -0.992 0.000 2.301 353 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.194 353 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.194 353 G C -1.583 172.700 174.900 -1.028 0.000 1.266 353 G CA -0.551 43.613 45.100 -1.559 0.000 1.210 353 G HN 0.521 nan 8.290 nan 0.000 0.524 354 W N 1.992 123.172 121.300 -0.200 0.000 2.238 354 W HA 0.610 5.270 4.660 -0.000 0.000 0.321 354 W C 0.294 176.756 176.519 -0.094 0.000 1.293 354 W CA -0.282 57.063 57.345 -0.001 0.000 1.204 354 W CB 1.046 30.557 29.460 0.084 0.000 1.167 354 W HN 0.305 nan 8.180 nan 0.000 0.553 355 Q N 2.666 122.605 119.800 0.232 0.000 2.330 355 Q HA 0.501 4.841 4.340 -0.000 0.000 0.269 355 Q C -0.417 175.682 176.000 0.165 0.000 1.022 355 Q CA -0.815 55.054 55.803 0.110 0.000 0.796 355 Q CB 1.765 30.527 28.738 0.040 0.000 1.271 355 Q HN 0.548 nan 8.270 nan 0.000 0.450 356 A N 3.934 126.839 122.820 0.141 0.000 2.404 356 A HA 0.524 4.844 4.320 -0.000 0.000 0.273 356 A C -0.412 177.206 177.584 0.056 0.000 1.144 356 A CA -0.239 51.902 52.037 0.173 0.000 0.806 356 A CB 0.205 19.292 19.000 0.144 0.000 1.080 356 A HN 0.699 nan 8.150 nan 0.000 0.509 357 L N 3.139 124.418 121.223 0.093 0.000 2.342 357 L HA 0.309 4.649 4.340 -0.000 0.000 0.276 357 L C -0.917 175.975 176.870 0.037 0.000 0.997 357 L CA -0.598 54.256 54.840 0.023 0.000 0.838 357 L CB 1.785 43.859 42.059 0.026 0.000 1.224 357 L HN 0.703 nan 8.230 nan 0.000 0.416 358 D N 6.317 126.691 120.400 -0.043 0.000 2.473 358 D HA 0.235 4.875 4.640 -0.000 0.000 0.226 358 D C -1.664 174.645 176.300 0.015 0.000 1.089 358 D CA -1.864 52.154 54.000 0.029 0.000 0.883 358 D CB 1.652 42.422 40.800 -0.051 0.000 1.029 358 D HN 0.227 nan 8.370 nan 0.000 0.517 359 P HA -0.014 nan 4.420 nan 0.000 0.242 359 P C -0.072 177.212 177.300 -0.026 0.000 1.197 359 P CA 0.094 63.161 63.100 -0.055 0.000 0.765 359 P CB 0.044 31.720 31.700 -0.040 0.000 0.936 360 T N 4.501 119.164 114.554 0.182 0.000 2.727 360 T HA 0.255 4.605 4.350 -0.000 0.000 0.298 360 T C -2.342 172.438 174.700 0.134 0.000 0.942 360 T CA -1.466 60.825 62.100 0.318 0.000 0.997 360 T CB 0.632 69.837 68.868 0.561 0.000 0.917 360 T HN 0.125 nan 8.240 nan 0.000 0.487 361 P HA 0.094 nan 4.420 nan 0.000 0.271 361 P C -0.717 176.553 177.300 -0.049 0.000 1.220 361 P CA -0.294 62.761 63.100 -0.075 0.000 0.768 361 P CB 0.616 32.255 31.700 -0.102 0.000 0.848 362 Q N 0.787 120.495 119.800 -0.153 0.000 2.433 362 Q HA 0.408 4.748 4.340 -0.000 0.000 0.279 362 Q C -0.532 175.358 176.000 -0.184 0.000 1.105 362 Q CA -1.122 54.540 55.803 -0.236 0.000 0.815 362 Q CB 1.647 30.101 28.738 -0.474 0.000 1.403 362 Q HN 0.382 nan 8.270 nan 0.000 0.435 363 E N 1.445 121.568 120.200 -0.128 0.000 2.415 363 E HA 0.034 4.384 4.350 -0.000 0.000 0.260 363 E C -1.020 175.590 176.600 0.017 0.000 1.016 363 E CA 0.413 56.785 56.400 -0.046 0.000 0.924 363 E CB 0.588 30.275 29.700 -0.021 0.000 0.961 363 E HN 0.370 nan 8.360 nan 0.000 0.459 364 K N 1.611 122.015 120.400 0.005 0.000 2.313 364 K HA 0.190 4.510 4.320 -0.000 0.000 0.235 364 K C 1.307 177.986 176.600 0.132 0.000 1.035 364 K CA -0.167 56.177 56.287 0.095 0.000 0.868 364 K CB 1.355 33.778 32.500 -0.128 0.000 1.232 364 K HN 0.580 nan 8.250 nan 0.000 0.459 365 S N 0.473 116.291 115.700 0.196 0.000 2.392 365 S HA -0.248 4.222 4.470 -0.000 0.000 0.232 365 S C 0.362 174.992 174.600 0.050 0.000 1.041 365 S CA 1.466 59.729 58.200 0.104 0.000 1.026 365 S CB -0.586 62.675 63.200 0.101 0.000 0.845 365 S HN 0.721 nan 8.310 nan 0.000 0.465 366 E N 0.205 120.425 120.200 0.033 0.000 3.352 366 E HA 0.589 4.939 4.350 -0.000 0.000 0.254 366 E C 0.185 176.784 176.600 -0.002 0.000 1.229 366 E CA -0.581 55.825 56.400 0.010 0.000 0.949 366 E CB 0.453 30.154 29.700 0.000 0.000 1.373 366 E HN 0.503 nan 8.360 nan 0.000 0.392 367 G N 0.834 109.638 108.800 0.006 0.000 2.434 367 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.671 367 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.671 367 G C -0.770 174.133 174.900 0.005 0.000 1.280 367 G CA -0.700 44.404 45.100 0.006 0.000 0.975 367 G HN 0.167 nan 8.290 nan 0.000 0.510 368 T N 1.108 115.673 114.554 0.019 0.000 2.864 368 T HA 0.612 4.962 4.350 -0.000 0.000 0.310 368 T C -1.032 173.701 174.700 0.056 0.000 1.040 368 T CA -0.045 62.059 62.100 0.006 0.000 0.977 368 T CB 0.910 69.777 68.868 -0.001 0.000 0.976 368 T HN 0.813 nan 8.240 nan 0.000 0.459 369 Y N 2.130 122.346 120.300 -0.141 0.000 2.669 369 Y HA 0.608 5.158 4.550 -0.000 0.000 0.335 369 Y C 0.384 176.178 175.900 -0.177 0.000 1.116 369 Y CA -1.375 56.640 58.100 -0.141 0.000 1.081 369 Y CB 0.858 39.235 38.460 -0.138 0.000 1.297 369 Y HN 0.801 nan 8.280 nan 0.000 0.484 370 C N -0.179 118.705 119.300 -0.694 0.000 2.574 370 C HA 0.823 5.283 4.460 -0.000 0.000 0.335 370 C C -0.119 174.724 174.990 -0.244 0.000 1.493 370 C CA -0.913 57.829 59.018 -0.460 0.000 2.217 370 C CB -0.053 27.361 27.740 -0.544 0.000 2.056 370 C HN 0.783 nan 8.230 nan 0.000 0.607 371 C N -0.047 119.145 119.300 -0.180 0.000 2.971 371 C HA 0.980 5.439 4.460 -0.000 0.000 0.310 371 C C 0.683 175.632 174.990 -0.069 0.000 1.285 371 C CA 0.866 59.821 59.018 -0.106 0.000 1.593 371 C CB 0.643 28.284 27.740 -0.166 0.000 2.076 371 C HN 1.986 nan 8.230 nan 0.000 0.472 372 G N 2.308 111.110 108.800 0.002 0.000 2.760 372 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.246 372 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.246 372 G C -3.129 171.751 174.900 -0.033 0.000 1.359 372 G CA -0.727 44.391 45.100 0.030 0.000 0.861 372 G HN 0.650 nan 8.290 nan 0.000 0.541 373 P HA 0.485 nan 4.420 nan 0.000 0.275 373 P C -0.495 176.891 177.300 0.143 0.000 1.227 373 P CA -0.085 63.059 63.100 0.073 0.000 0.781 373 P CB 1.843 33.577 31.700 0.055 0.000 0.906 374 V N 4.570 124.520 119.914 0.060 0.000 2.709 374 V HA 0.469 4.589 4.120 -0.000 0.000 0.308 374 V C -2.673 173.386 176.094 -0.059 0.000 1.062 374 V CA -2.958 59.343 62.300 0.001 0.000 0.901 374 V CB 2.302 34.125 31.823 0.000 0.000 1.003 374 V HN 0.367 nan 8.190 nan 0.000 0.425 375 P HA 0.171 nan 4.420 nan 0.000 0.271 375 P C 0.805 177.993 177.300 -0.187 0.000 1.220 375 P CA 0.084 63.059 63.100 -0.209 0.000 0.768 375 P CB 1.175 32.602 31.700 -0.455 0.000 0.848 376 V N 4.277 124.121 119.914 -0.116 0.000 2.343 376 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 376 V C 2.404 178.378 176.094 -0.201 0.000 1.051 376 V CA 1.718 63.888 62.300 -0.218 0.000 1.036 376 V CB -0.894 30.714 31.823 -0.357 0.000 0.654 376 V HN 0.635 nan 8.190 nan 0.000 0.451 377 R N -0.218 120.212 120.500 -0.116 0.000 2.152 377 R HA -0.158 4.182 4.340 -0.000 0.000 0.232 377 R C 2.290 178.585 176.300 -0.008 0.000 1.117 377 R CA 1.394 57.482 56.100 -0.020 0.000 0.981 377 R CB -0.326 30.048 30.300 0.123 0.000 0.870 377 R HN 0.549 nan 8.270 nan 0.000 0.451 378 A N 1.030 123.712 122.820 -0.230 0.000 1.898 378 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 378 A C 1.954 179.518 177.584 -0.034 0.000 1.181 378 A CA 0.967 52.848 52.037 -0.259 0.000 0.620 378 A CB -0.282 18.342 19.000 -0.625 0.000 0.819 378 A HN 0.170 nan 8.150 nan 0.000 0.442 379 I N 0.177 120.746 120.570 -0.002 0.000 2.286 379 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 379 I C 2.334 178.623 176.117 0.288 0.000 1.115 379 I CA 1.907 63.322 61.300 0.190 0.000 1.392 379 I CB -1.165 36.960 38.000 0.208 0.000 1.065 379 I HN 0.453 nan 8.210 nan 0.000 0.418 380 K N 0.900 121.375 120.400 0.125 0.000 2.097 380 K HA -0.206 4.114 4.320 -0.000 0.000 0.205 380 K C 1.854 178.592 176.600 0.231 0.000 1.050 380 K CA 1.392 57.740 56.287 0.101 0.000 0.938 380 K CB 0.112 32.535 32.500 -0.129 0.000 0.718 380 K HN 0.017 nan 8.250 nan 0.000 0.442 381 E N -0.802 119.535 120.200 0.228 0.000 2.435 381 E HA 0.049 4.399 4.350 -0.000 0.000 0.195 381 E C 0.669 177.410 176.600 0.236 0.000 1.029 381 E CA 0.829 57.401 56.400 0.286 0.000 0.865 381 E CB 0.465 30.314 29.700 0.249 0.000 0.833 381 E HN 0.551 nan 8.360 nan 0.000 0.510 382 G N 1.145 110.054 108.800 0.182 0.000 2.136 382 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.242 382 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.242 382 G C 0.123 174.956 174.900 -0.112 0.000 0.989 382 G CA 0.287 45.360 45.100 -0.044 0.000 0.682 382 G HN 0.306 nan 8.290 nan 0.000 0.522 383 D N 0.665 121.053 120.400 -0.019 0.000 2.688 383 D HA 0.343 4.983 4.640 -0.000 0.000 0.228 383 D C 1.920 178.175 176.300 -0.075 0.000 1.116 383 D CA -0.579 53.417 54.000 -0.006 0.000 1.023 383 D CB -0.204 40.666 40.800 0.117 0.000 1.100 383 D HN 0.093 nan 8.370 nan 0.000 0.487 384 L N 1.174 122.306 121.223 -0.153 0.000 2.447 384 L HA -0.136 4.204 4.340 -0.000 0.000 0.225 384 L C 2.368 179.184 176.870 -0.090 0.000 1.148 384 L CA 1.079 55.824 54.840 -0.158 0.000 0.808 384 L CB -0.914 40.999 42.059 -0.243 0.000 0.928 384 L HN 0.295 nan 8.230 nan 0.000 0.448 385 S N -3.759 111.904 115.700 -0.062 0.000 2.527 385 S HA 0.030 4.500 4.470 -0.000 0.000 0.222 385 S C 1.049 175.620 174.600 -0.047 0.000 0.985 385 S CA -0.121 58.052 58.200 -0.045 0.000 0.921 385 S CB -0.732 62.450 63.200 -0.029 0.000 0.772 385 S HN 0.347 nan 8.310 nan 0.000 0.529 386 T N 3.167 117.691 114.554 -0.051 0.000 2.916 386 T HA 0.187 4.537 4.350 -0.000 0.000 0.303 386 T C -0.097 174.533 174.700 -0.117 0.000 1.025 386 T CA -0.079 61.976 62.100 -0.076 0.000 1.142 386 T CB 0.742 69.528 68.868 -0.137 0.000 0.947 386 T HN 0.361 nan 8.240 nan 0.000 0.544 387 K N 2.251 122.535 120.400 -0.194 0.000 2.218 387 K HA 0.271 4.591 4.320 -0.000 0.000 0.276 387 K C -1.244 175.206 176.600 -0.250 0.000 1.022 387 K CA -0.429 55.632 56.287 -0.376 0.000 0.946 387 K CB 0.433 32.525 32.500 -0.679 0.000 1.000 387 K HN 0.560 nan 8.250 nan 0.000 0.468 388 Y N 2.029 122.319 120.300 -0.017 0.000 2.377 388 Y HA 0.157 4.707 4.550 -0.000 0.000 0.339 388 Y C 0.007 175.911 175.900 0.008 0.000 1.011 388 Y CA -0.573 57.527 58.100 -0.001 0.000 1.093 388 Y CB 1.666 40.129 38.460 0.005 0.000 1.201 388 Y HN 0.819 nan 8.280 nan 0.000 0.455 389 D N 0.823 121.332 120.400 0.182 0.000 2.945 389 D HA -0.262 4.378 4.640 -0.000 0.000 0.225 389 D C 1.294 177.713 176.300 0.198 0.000 1.158 389 D CA 0.838 54.961 54.000 0.205 0.000 0.805 389 D CB -0.991 39.877 40.800 0.113 0.000 1.098 389 D HN 0.773 nan 8.370 nan 0.000 0.426 390 A N 0.619 123.499 122.820 0.099 0.000 1.927 390 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 390 A C 0.309 177.939 177.584 0.077 0.000 1.185 390 A CA 2.138 54.209 52.037 0.056 0.000 0.639 390 A CB -1.086 17.903 19.000 -0.019 0.000 0.820 390 A HN 0.367 nan 8.150 nan 0.000 0.451 391 P HA -0.142 nan 4.420 nan 0.000 0.220 391 P C 1.164 178.401 177.300 -0.105 0.000 1.148 391 P CA 0.995 64.054 63.100 -0.068 0.000 0.803 391 P CB -0.231 31.354 31.700 -0.190 0.000 0.782 392 F N 0.217 120.152 119.950 -0.025 0.000 2.098 392 F HA -0.129 4.398 4.527 -0.000 0.000 0.294 392 F C 2.645 178.387 175.800 -0.097 0.000 1.107 392 F CA 1.135 59.091 58.000 -0.073 0.000 1.234 392 F CB -1.457 37.485 39.000 -0.097 0.000 1.002 392 F HN -0.315 nan 8.300 nan 0.000 0.472 393 V N -0.228 119.736 119.914 0.084 0.000 2.332 393 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 393 V C 2.126 178.221 176.094 0.002 0.000 1.055 393 V CA 1.779 64.026 62.300 -0.088 0.000 1.038 393 V CB -0.909 30.838 31.823 -0.125 0.000 0.651 393 V HN 0.321 nan 8.190 nan 0.000 0.450 394 F N 1.483 121.405 119.950 -0.048 0.000 2.161 394 F HA -0.216 4.311 4.527 -0.000 0.000 0.300 394 F C 2.239 177.982 175.800 -0.095 0.000 1.089 394 F CA 1.453 59.429 58.000 -0.041 0.000 1.282 394 F CB -0.457 38.498 39.000 -0.074 0.000 1.010 394 F HN 0.083 nan 8.300 nan 0.000 0.485 395 A N 0.198 122.964 122.820 -0.089 0.000 1.873 395 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 395 A C 2.125 179.606 177.584 -0.171 0.000 1.186 395 A CA 1.551 53.471 52.037 -0.194 0.000 0.616 395 A CB -0.845 18.058 19.000 -0.162 0.000 0.823 395 A HN 0.446 nan 8.150 nan 0.000 0.442 396 E N -0.395 119.743 120.200 -0.102 0.000 2.169 396 E HA -0.180 4.170 4.350 -0.000 0.000 0.202 396 E C 1.807 178.401 176.600 -0.009 0.000 1.016 396 E CA 1.656 58.039 56.400 -0.028 0.000 0.817 396 E CB -0.333 29.353 29.700 -0.024 0.000 0.736 396 E HN 0.411 nan 8.360 nan 0.000 0.462 397 V N 1.024 120.886 119.914 -0.088 0.000 3.565 397 V HA 0.026 4.146 4.120 -0.000 0.000 0.260 397 V C 1.126 177.133 176.094 -0.145 0.000 1.231 397 V CA 0.622 62.877 62.300 -0.076 0.000 1.100 397 V CB 0.091 31.887 31.823 -0.044 0.000 0.807 397 V HN 0.170 nan 8.190 nan 0.000 0.454 398 N N -0.187 118.318 118.700 -0.325 0.000 2.145 398 N HA 0.272 5.012 4.740 -0.000 0.000 0.219 398 N C 0.744 176.106 175.510 -0.248 0.000 1.266 398 N CA 0.479 53.318 53.050 -0.352 0.000 0.902 398 N CB 0.961 38.925 38.487 -0.871 0.000 1.078 398 N HN 0.342 nan 8.380 nan 0.000 0.513 399 A N 1.077 123.768 122.820 -0.217 0.000 2.583 399 A HA 0.022 4.342 4.320 -0.000 0.000 0.231 399 A C 0.009 177.588 177.584 -0.008 0.000 1.065 399 A CA 0.633 52.593 52.037 -0.128 0.000 0.760 399 A CB 0.067 19.015 19.000 -0.088 0.000 1.001 399 A HN 0.118 nan 8.150 nan 0.000 0.509 400 D N -0.010 120.412 120.400 0.036 0.000 2.256 400 D HA 0.553 5.193 4.640 -0.000 0.000 0.246 400 D C -0.879 175.433 176.300 0.020 0.000 1.042 400 D CA -0.094 53.940 54.000 0.057 0.000 0.841 400 D CB 1.603 42.459 40.800 0.092 0.000 1.223 400 D HN 0.224 nan 8.370 nan 0.000 0.470 401 V N 3.175 123.102 119.914 0.022 0.000 2.581 401 V HA 0.562 4.682 4.120 -0.000 0.000 0.303 401 V C -0.281 175.784 176.094 -0.048 0.000 1.041 401 V CA -0.789 61.520 62.300 0.015 0.000 0.907 401 V CB 1.953 33.843 31.823 0.112 0.000 0.994 401 V HN 0.405 nan 8.190 nan 0.000 0.442 402 V N 3.026 122.871 119.914 -0.115 0.000 2.483 402 V HA 0.436 4.556 4.120 -0.000 0.000 0.297 402 V C -0.811 175.067 176.094 -0.360 0.000 1.027 402 V CA -0.682 61.445 62.300 -0.288 0.000 0.855 402 V CB 1.905 33.507 31.823 -0.368 0.000 0.995 402 V HN 0.836 nan 8.190 nan 0.000 0.424 403 D N 4.202 124.380 120.400 -0.369 0.000 2.373 403 D HA 0.298 4.938 4.640 -0.000 0.000 0.227 403 D C -0.921 175.128 176.300 -0.417 0.000 1.091 403 D CA -0.061 53.782 54.000 -0.262 0.000 0.840 403 D CB 1.509 42.246 40.800 -0.105 0.000 1.060 403 D HN 0.450 nan 8.370 nan 0.000 0.502 404 W N 2.534 123.673 121.300 -0.269 0.000 2.496 404 W HA 0.383 5.043 4.660 -0.000 0.000 0.327 404 W C 0.140 176.566 176.519 -0.154 0.000 1.086 404 W CA -0.813 56.382 57.345 -0.250 0.000 1.222 404 W CB 1.224 30.431 29.460 -0.422 0.000 1.304 404 W HN 0.126 nan 8.180 nan 0.000 0.547 405 I N 3.543 124.161 120.570 0.080 0.000 2.328 405 I HA 0.131 4.301 4.170 -0.000 0.000 0.287 405 I C 0.204 176.326 176.117 0.009 0.000 1.012 405 I CA -1.277 59.970 61.300 -0.088 0.000 1.195 405 I CB 0.723 38.380 38.000 -0.571 0.000 1.350 405 I HN 0.525 nan 8.210 nan 0.000 0.464 406 Q N 6.050 125.907 119.800 0.096 0.000 2.259 406 Q HA 0.510 4.850 4.340 -0.000 0.000 0.249 406 Q C -0.909 175.139 176.000 0.080 0.000 0.914 406 Q CA -0.452 55.416 55.803 0.108 0.000 0.904 406 Q CB 2.597 31.413 28.738 0.130 0.000 1.213 406 Q HN 0.678 nan 8.270 nan 0.000 0.428 407 Q N 0.755 120.614 119.800 0.097 0.000 3.274 407 Q HA 0.270 4.610 4.340 -0.000 0.000 0.303 407 Q C -1.109 174.942 176.000 0.085 0.000 1.005 407 Q CA -0.930 54.941 55.803 0.114 0.000 0.831 407 Q CB 1.605 30.460 28.738 0.196 0.000 1.538 407 Q HN 0.728 nan 8.270 nan 0.000 0.481 408 D N 1.610 122.063 120.400 0.088 0.000 2.308 408 D HA 0.136 4.776 4.640 -0.000 0.000 0.251 408 D C -0.608 175.728 176.300 0.059 0.000 1.127 408 D CA 0.601 54.638 54.000 0.061 0.000 0.876 408 D CB 1.109 41.944 40.800 0.057 0.000 1.176 408 D HN 0.673 nan 8.370 nan 0.000 0.446 409 D N 0.943 121.364 120.400 0.035 0.000 3.108 409 D HA -0.120 4.520 4.640 -0.000 0.000 0.214 409 D C 0.997 177.304 176.300 0.011 0.000 1.098 409 D CA 1.114 55.128 54.000 0.024 0.000 0.901 409 D CB -1.190 39.632 40.800 0.036 0.000 1.091 409 D HN 0.718 nan 8.370 nan 0.000 0.435 410 G N -0.104 108.699 108.800 0.005 0.000 2.280 410 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.282 410 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.282 410 G C 0.370 175.248 174.900 -0.037 0.000 1.000 410 G CA 1.228 46.316 45.100 -0.020 0.000 0.751 410 G HN 1.496 nan 8.290 nan 0.000 0.515 411 S N -1.495 114.199 115.700 -0.009 0.000 2.564 411 S HA 0.615 5.085 4.470 -0.000 0.000 0.278 411 S C -0.014 174.514 174.600 -0.121 0.000 1.333 411 S CA -0.467 57.693 58.200 -0.068 0.000 1.048 411 S CB 2.662 65.873 63.200 0.018 0.000 0.900 411 S HN 0.800 nan 8.310 nan 0.000 0.505 412 V N 4.332 124.082 119.914 -0.273 0.000 2.487 412 V HA 0.424 4.544 4.120 -0.000 0.000 0.298 412 V C -0.677 175.248 176.094 -0.281 0.000 1.028 412 V CA -0.625 61.571 62.300 -0.174 0.000 0.860 412 V CB 1.438 33.163 31.823 -0.164 0.000 0.991 412 V HN 0.963 nan 8.190 nan 0.000 0.427 413 H N 3.689 122.894 119.070 0.224 0.000 2.529 413 H HA 0.352 4.908 4.556 -0.000 0.000 0.348 413 H C -0.398 175.078 175.328 0.247 0.000 1.079 413 H CA -0.859 55.337 56.048 0.247 0.000 1.198 413 H CB 2.153 31.987 29.762 0.119 0.000 1.521 413 H HN 0.509 nan 8.280 nan 0.000 0.514 414 K N 2.556 123.102 120.400 0.243 0.000 2.378 414 K HA 0.096 4.416 4.320 -0.000 0.000 0.288 414 K C 0.141 176.671 176.600 -0.117 0.000 1.057 414 K CA -0.341 55.756 56.287 -0.317 0.000 0.971 414 K CB 0.410 32.586 32.500 -0.541 0.000 0.975 414 K HN 0.659 nan 8.250 nan 0.000 0.475 415 S N 4.104 119.713 115.700 -0.152 0.000 2.601 415 S HA 0.342 4.812 4.470 -0.000 0.000 0.271 415 S C 0.266 174.818 174.600 -0.080 0.000 1.305 415 S CA -0.894 57.291 58.200 -0.024 0.000 1.022 415 S CB 0.612 63.809 63.200 -0.005 0.000 0.940 415 S HN 0.539 nan 8.310 nan 0.000 0.525 416 I N 2.757 123.311 120.570 -0.027 0.000 2.371 416 I HA 0.290 4.460 4.170 -0.000 0.000 0.290 416 I C 0.097 176.195 176.117 -0.032 0.000 1.028 416 I CA -0.252 61.024 61.300 -0.040 0.000 1.345 416 I CB 0.689 38.675 38.000 -0.024 0.000 1.407 416 I HN 0.639 nan 8.210 nan 0.000 0.501 417 N N 6.164 124.841 118.700 -0.038 0.000 2.576 417 N HA 0.301 5.041 4.740 -0.000 0.000 0.269 417 N C 0.070 175.575 175.510 -0.008 0.000 1.058 417 N CA -0.549 52.488 53.050 -0.021 0.000 0.860 417 N CB 1.029 39.499 38.487 -0.029 0.000 1.249 417 N HN 0.427 nan 8.380 nan 0.000 0.525 418 R N 0.490 120.991 120.500 0.003 0.000 2.334 418 R HA 0.072 4.412 4.340 -0.000 0.000 0.216 418 R C 1.478 177.792 176.300 0.022 0.000 0.905 418 R CA 0.524 56.632 56.100 0.013 0.000 1.064 418 R CB 0.311 30.620 30.300 0.015 0.000 1.046 418 R HN 0.551 nan 8.270 nan 0.000 0.508 419 S N 0.224 115.938 115.700 0.023 0.000 2.461 419 S HA -0.007 4.463 4.470 -0.000 0.000 0.228 419 S C 0.742 175.366 174.600 0.039 0.000 1.005 419 S CA 0.062 58.280 58.200 0.031 0.000 0.942 419 S CB 0.062 63.281 63.200 0.031 0.000 0.776 419 S HN 0.129 nan 8.310 nan 0.000 0.514 420 L N 1.852 123.098 121.223 0.037 0.000 2.265 420 L HA 0.653 4.993 4.340 -0.000 0.000 0.289 420 L C -1.206 175.699 176.870 0.058 0.000 1.033 420 L CA -0.596 54.275 54.840 0.052 0.000 0.814 420 L CB 0.934 43.024 42.059 0.052 0.000 1.203 420 L HN 0.257 nan 8.230 nan 0.000 0.423 421 I N 5.736 126.348 120.570 0.070 0.000 2.468 421 I HA 0.300 4.470 4.170 -0.000 0.000 0.285 421 I C -0.548 175.622 176.117 0.088 0.000 1.039 421 I CA -0.889 60.455 61.300 0.074 0.000 1.074 421 I CB 2.037 40.078 38.000 0.068 0.000 1.228 421 I HN 0.196 nan 8.210 nan 0.000 0.436 422 V N 5.044 125.009 119.914 0.085 0.000 2.715 422 V HA 0.408 4.528 4.120 -0.000 0.000 0.299 422 V C 0.958 177.100 176.094 0.080 0.000 1.054 422 V CA 0.292 62.644 62.300 0.086 0.000 1.077 422 V CB 0.882 32.742 31.823 0.062 0.000 0.972 422 V HN 1.082 nan 8.190 nan 0.000 0.484 423 G N 4.156 113.012 108.800 0.093 0.000 2.587 423 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.274 423 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.274 423 G C 0.075 175.026 174.900 0.084 0.000 1.046 423 G CA 0.174 45.319 45.100 0.075 0.000 1.308 423 G HN 0.602 nan 8.290 nan 0.000 0.529 424 L N -0.220 121.079 121.223 0.126 0.000 2.265 424 L HA 0.332 4.672 4.340 -0.000 0.000 0.195 424 L C 1.700 178.626 176.870 0.094 0.000 1.083 424 L CA 1.007 55.917 54.840 0.117 0.000 0.798 424 L CB 0.118 42.250 42.059 0.122 0.000 0.989 424 L HN 0.346 nan 8.230 nan 0.000 0.472 425 K N 1.137 121.646 120.400 0.182 0.000 2.920 425 K HA 0.369 4.689 4.320 -0.000 0.000 0.175 425 K C -0.796 175.852 176.600 0.080 0.000 1.099 425 K CA -0.200 56.136 56.287 0.081 0.000 0.939 425 K CB 1.022 33.489 32.500 -0.055 0.000 1.148 425 K HN 0.104 nan 8.250 nan 0.000 0.613 426 I N 1.965 122.513 120.570 -0.037 0.000 2.769 426 I HA -0.067 4.103 4.170 -0.000 0.000 0.285 426 I C 0.060 176.059 176.117 -0.198 0.000 1.173 426 I CA 0.804 61.997 61.300 -0.178 0.000 1.389 426 I CB -0.060 37.806 38.000 -0.223 0.000 1.404 426 I HN 0.289 nan 8.210 nan 0.000 0.544 427 S N 4.317 119.861 115.700 -0.260 0.000 2.536 427 S HA 0.709 5.179 4.470 -0.000 0.000 0.298 427 S C -0.140 174.257 174.600 -0.338 0.000 1.083 427 S CA -0.626 57.349 58.200 -0.373 0.000 0.995 427 S CB 2.593 65.457 63.200 -0.559 0.000 1.058 427 S HN 0.735 nan 8.310 nan 0.000 0.488 428 T N 0.941 115.296 114.554 -0.332 0.000 2.889 428 T HA 0.396 4.746 4.350 -0.000 0.000 0.315 428 T C -1.393 173.321 174.700 0.023 0.000 1.291 428 T CA -0.786 61.270 62.100 -0.074 0.000 1.028 428 T CB 1.176 69.958 68.868 -0.142 0.000 1.235 428 T HN 0.615 nan 8.240 nan 0.000 0.491 429 K N 2.253 122.831 120.400 0.296 0.000 2.436 429 K HA 0.330 4.650 4.320 -0.000 0.000 0.275 429 K C 0.115 176.798 176.600 0.139 0.000 0.999 429 K CA -0.096 56.373 56.287 0.304 0.000 0.980 429 K CB 0.276 32.972 32.500 0.328 0.000 0.919 429 K HN 0.558 nan 8.250 nan 0.000 0.484 430 S N 1.808 117.570 115.700 0.104 0.000 2.579 430 S HA 0.007 4.477 4.470 -0.000 0.000 0.275 430 S C -0.430 174.175 174.600 0.008 0.000 1.345 430 S CA -0.751 57.477 58.200 0.046 0.000 1.031 430 S CB 1.178 64.398 63.200 0.034 0.000 0.892 430 S HN 0.533 nan 8.310 nan 0.000 0.529 431 V N 2.929 122.817 119.914 -0.042 0.000 2.470 431 V HA 0.536 4.656 4.120 -0.000 0.000 0.276 431 V C 1.121 177.153 176.094 -0.103 0.000 1.040 431 V CA 0.856 63.063 62.300 -0.154 0.000 1.008 431 V CB -0.286 31.401 31.823 -0.226 0.000 0.990 431 V HN 1.258 nan 8.190 nan 0.000 0.477 432 G N 5.359 114.094 108.800 -0.109 0.000 2.184 432 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.264 432 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.264 432 G C 0.232 175.122 174.900 -0.017 0.000 0.975 432 G CA 0.722 45.784 45.100 -0.063 0.000 0.642 432 G HN 1.339 nan 8.290 nan 0.000 0.536 433 R N -1.383 119.122 120.500 0.008 0.000 2.817 433 R HA 0.672 5.012 4.340 -0.000 0.000 0.268 433 R C -0.434 175.930 176.300 0.107 0.000 1.027 433 R CA -0.697 55.431 56.100 0.048 0.000 0.928 433 R CB 0.518 30.841 30.300 0.038 0.000 1.228 433 R HN -0.115 nan 8.270 nan 0.000 0.469 434 D N 0.553 121.052 120.400 0.166 0.000 2.349 434 D HA 0.018 4.658 4.640 -0.000 0.000 0.224 434 D C -0.426 176.008 176.300 0.224 0.000 1.029 434 D CA 0.712 54.903 54.000 0.318 0.000 0.879 434 D CB 0.150 41.190 40.800 0.401 0.000 0.906 434 D HN 0.377 nan 8.370 nan 0.000 0.528 435 E N 0.464 120.735 120.200 0.118 0.000 2.392 435 E HA 0.130 4.480 4.350 -0.000 0.000 0.259 435 E C 0.481 177.111 176.600 0.050 0.000 1.108 435 E CA -0.241 56.188 56.400 0.049 0.000 0.916 435 E CB 1.026 30.735 29.700 0.014 0.000 0.989 435 E HN -0.058 nan 8.360 nan 0.000 0.432 436 R N 1.662 122.138 120.500 -0.040 0.000 2.357 436 R HA 0.123 4.463 4.340 -0.000 0.000 0.296 436 R C -0.556 175.633 176.300 -0.184 0.000 1.052 436 R CA -0.244 55.743 56.100 -0.188 0.000 0.988 436 R CB 0.712 30.767 30.300 -0.408 0.000 1.025 436 R HN 0.597 nan 8.270 nan 0.000 0.469 437 E N 3.285 123.373 120.200 -0.186 0.000 2.156 437 E HA 0.031 4.381 4.350 -0.000 0.000 0.279 437 E C -1.227 175.274 176.600 -0.165 0.000 0.965 437 E CA -0.651 55.679 56.400 -0.116 0.000 0.789 437 E CB 1.157 30.829 29.700 -0.046 0.000 1.098 437 E HN 0.507 nan 8.360 nan 0.000 0.397 438 D N 5.498 125.837 120.400 -0.101 0.000 2.316 438 D HA 0.087 4.727 4.640 -0.000 0.000 0.245 438 D C 0.720 177.004 176.300 -0.027 0.000 1.171 438 D CA -0.275 53.673 54.000 -0.087 0.000 0.856 438 D CB 0.710 41.482 40.800 -0.046 0.000 1.090 438 D HN 0.616 nan 8.370 nan 0.000 0.476 439 I N 1.007 121.509 120.570 -0.113 0.000 3.914 439 I HA 0.090 4.260 4.170 -0.000 0.000 0.333 439 I C 1.051 177.051 176.117 -0.195 0.000 1.449 439 I CA -0.462 60.703 61.300 -0.225 0.000 1.135 439 I CB 0.142 38.015 38.000 -0.211 0.000 1.073 439 I HN 0.044 nan 8.210 nan 0.000 0.401 440 T N 1.923 116.441 114.554 -0.060 0.000 2.737 440 T HA -0.239 4.111 4.350 -0.000 0.000 0.269 440 T C 1.886 176.604 174.700 0.030 0.000 1.040 440 T CA 2.417 64.532 62.100 0.025 0.000 1.142 440 T CB -0.740 68.156 68.868 0.046 0.000 0.861 440 T HN 0.670 nan 8.240 nan 0.000 0.456 441 H N 1.144 120.244 119.070 0.050 0.000 2.489 441 H HA -0.048 4.508 4.556 -0.000 0.000 0.293 441 H C 2.117 177.431 175.328 -0.024 0.000 1.066 441 H CA 1.628 57.687 56.048 0.017 0.000 1.305 441 H CB -0.790 28.980 29.762 0.013 0.000 1.386 441 H HN 0.535 nan 8.280 nan 0.000 0.551 442 T N -2.662 111.620 114.554 -0.454 0.000 3.067 442 T HA -0.055 4.295 4.350 -0.000 0.000 0.261 442 T C 1.364 175.891 174.700 -0.288 0.000 1.110 442 T CA 0.333 62.238 62.100 -0.325 0.000 1.113 442 T CB -0.491 68.151 68.868 -0.377 0.000 0.917 442 T HN 0.359 nan 8.240 nan 0.000 0.499 443 Y N 1.006 121.241 120.300 -0.109 0.000 2.507 443 Y HA 0.510 5.060 4.550 -0.000 0.000 0.263 443 Y C 0.804 176.691 175.900 -0.021 0.000 1.093 443 Y CA -0.346 57.740 58.100 -0.023 0.000 1.285 443 Y CB 0.659 39.137 38.460 0.030 0.000 1.115 443 Y HN 0.105 nan 8.280 nan 0.000 0.533 444 K N -0.963 119.483 120.400 0.077 0.000 2.523 444 K HA 0.332 4.652 4.320 -0.000 0.000 0.257 444 K C -1.818 174.775 176.600 -0.012 0.000 0.932 444 K CA -0.795 55.531 56.287 0.064 0.000 0.812 444 K CB 1.848 34.435 32.500 0.144 0.000 1.326 444 K HN -0.259 nan 8.250 nan 0.000 0.433 445 Y N 1.342 121.704 120.300 0.103 0.000 2.300 445 Y HA 0.225 4.775 4.550 -0.000 0.000 0.328 445 Y C -1.861 174.058 175.900 0.032 0.000 1.270 445 Y CA -1.820 56.315 58.100 0.058 0.000 1.352 445 Y CB 0.166 38.634 38.460 0.013 0.000 1.286 445 Y HN 0.396 nan 8.280 nan 0.000 0.536 446 P HA -0.050 nan 4.420 nan 0.000 0.266 446 P C -0.909 176.431 177.300 0.067 0.000 1.193 446 P CA 0.178 63.347 63.100 0.115 0.000 0.770 446 P CB 0.369 32.124 31.700 0.092 0.000 0.836 447 E N 1.603 121.834 120.200 0.051 0.000 2.465 447 E HA 0.179 4.529 4.350 -0.000 0.000 0.260 447 E C 1.198 177.796 176.600 -0.002 0.000 0.980 447 E CA 0.583 56.999 56.400 0.027 0.000 0.927 447 E CB -0.230 29.499 29.700 0.047 0.000 0.934 447 E HN 0.787 nan 8.360 nan 0.000 0.459 448 G N 2.854 111.631 108.800 -0.037 0.000 2.179 448 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.257 448 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.257 448 G C 0.313 175.183 174.900 -0.050 0.000 1.010 448 G CA 0.593 45.669 45.100 -0.040 0.000 0.736 448 G HN 0.645 nan 8.290 nan 0.000 0.513 449 S N -0.861 114.799 115.700 -0.067 0.000 2.693 449 S HA 0.724 5.194 4.470 -0.000 0.000 0.276 449 S C 1.759 176.288 174.600 -0.118 0.000 1.192 449 S CA 0.692 58.849 58.200 -0.072 0.000 0.994 449 S CB 1.730 64.899 63.200 -0.051 0.000 1.012 449 S HN 1.466 nan 8.310 nan 0.000 0.550 450 S N 0.720 116.348 115.700 -0.121 0.000 2.368 450 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 450 S C 1.615 176.099 174.600 -0.193 0.000 1.029 450 S CA 0.986 59.109 58.200 -0.128 0.000 0.988 450 S CB -0.896 62.242 63.200 -0.103 0.000 0.838 450 S HN 0.846 nan 8.310 nan 0.000 0.462 451 E N 1.779 121.789 120.200 -0.316 0.000 2.153 451 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 451 E C 2.016 178.380 176.600 -0.393 0.000 0.988 451 E CA 1.264 57.339 56.400 -0.542 0.000 0.811 451 E CB -0.581 28.383 29.700 -1.227 0.000 0.746 451 E HN 0.863 nan 8.360 nan 0.000 0.466 452 E N 1.540 121.576 120.200 -0.272 0.000 2.077 452 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 452 E C 2.342 178.709 176.600 -0.388 0.000 0.989 452 E CA 0.933 57.166 56.400 -0.277 0.000 0.800 452 E CB -0.026 29.457 29.700 -0.361 0.000 0.746 452 E HN 0.134 nan 8.360 nan 0.000 0.452 453 R N 0.337 120.687 120.500 -0.252 0.000 2.083 453 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 453 R C 2.270 178.565 176.300 -0.008 0.000 1.137 453 R CA 1.898 57.928 56.100 -0.118 0.000 0.951 453 R CB 0.006 30.260 30.300 -0.076 0.000 0.851 453 R HN 0.159 nan 8.270 nan 0.000 0.434 454 E N 0.276 120.456 120.200 -0.032 0.000 2.038 454 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 454 E C 1.969 178.635 176.600 0.109 0.000 1.000 454 E CA 1.542 57.955 56.400 0.021 0.000 0.803 454 E CB -0.603 29.084 29.700 -0.022 0.000 0.750 454 E HN 0.478 nan 8.360 nan 0.000 0.448 455 A N 0.723 123.640 122.820 0.162 0.000 1.908 455 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 455 A C 2.232 180.097 177.584 0.468 0.000 1.181 455 A CA 1.308 53.535 52.037 0.317 0.000 0.627 455 A CB -1.023 18.248 19.000 0.451 0.000 0.818 455 A HN 0.259 nan 8.150 nan 0.000 0.445 456 F N -0.142 119.930 119.950 0.203 0.000 2.325 456 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 456 F C 2.664 178.535 175.800 0.119 0.000 1.090 456 F CA 0.974 59.109 58.000 0.226 0.000 1.392 456 F CB -0.164 38.946 39.000 0.184 0.000 1.053 456 F HN 0.194 nan 8.300 nan 0.000 0.521 457 T N -0.196 114.518 114.554 0.266 0.000 2.770 457 T HA -0.124 4.226 4.350 -0.000 0.000 0.263 457 T C 1.763 176.516 174.700 0.089 0.000 1.039 457 T CA 0.914 63.098 62.100 0.140 0.000 1.142 457 T CB -0.244 68.679 68.868 0.091 0.000 0.868 457 T HN 0.211 nan 8.240 nan 0.000 0.435 458 R N 1.146 121.696 120.500 0.084 0.000 2.285 458 R HA 0.166 4.506 4.340 -0.000 0.000 0.213 458 R C 1.958 178.236 176.300 -0.036 0.000 1.068 458 R CA 0.849 56.966 56.100 0.029 0.000 1.004 458 R CB -0.106 30.218 30.300 0.040 0.000 0.873 458 R HN 0.290 nan 8.270 nan 0.000 0.467 459 A N 0.671 123.464 122.820 -0.045 0.000 2.390 459 A HA 0.108 4.428 4.320 -0.000 0.000 0.232 459 A C -0.147 177.383 177.584 -0.090 0.000 1.233 459 A CA -0.464 51.450 52.037 -0.206 0.000 0.907 459 A CB 0.188 18.861 19.000 -0.545 0.000 0.967 459 A HN 0.290 nan 8.150 nan 0.000 0.512 460 N N 0.384 119.089 118.700 0.008 0.000 2.696 460 N HA -0.221 4.519 4.740 -0.000 0.000 0.256 460 N C -0.318 175.249 175.510 0.096 0.000 1.031 460 N CA 1.234 54.305 53.050 0.035 0.000 0.730 460 N CB -1.158 37.327 38.487 -0.003 0.000 0.894 460 N HN 0.777 nan 8.380 nan 0.000 0.544 461 H N -0.208 118.854 119.070 -0.013 0.000 2.924 461 H HA 0.310 4.866 4.556 -0.000 0.000 0.229 461 H C 0.763 176.094 175.328 0.004 0.000 1.345 461 H CA -0.340 55.669 56.048 -0.065 0.000 1.044 461 H CB -0.230 29.428 29.762 -0.173 0.000 2.221 461 H HN 0.295 nan 8.280 nan 0.000 0.574 462 L N 0.160 121.384 121.223 0.001 0.000 2.675 462 L HA 0.049 4.389 4.340 -0.000 0.000 0.238 462 L C 0.100 176.944 176.870 -0.044 0.000 1.155 462 L CA 0.037 54.898 54.840 0.035 0.000 0.881 462 L CB -0.353 41.747 42.059 0.069 0.000 1.008 462 L HN 0.324 nan 8.230 nan 0.000 0.443 463 N N 3.002 121.595 118.700 -0.177 0.000 2.406 463 N HA 0.060 4.800 4.740 -0.000 0.000 0.265 463 N C 0.322 175.751 175.510 -0.135 0.000 1.203 463 N CA 0.297 53.269 53.050 -0.129 0.000 0.945 463 N CB 0.380 38.808 38.487 -0.099 0.000 1.165 463 N HN 0.364 nan 8.380 nan 0.000 0.485 464 K N -0.155 120.229 120.400 -0.027 0.000 3.477 464 K HA 0.070 4.390 4.320 -0.000 0.000 0.127 464 K C -0.076 176.540 176.600 0.026 0.000 0.937 464 K CA -0.215 56.085 56.287 0.022 0.000 0.929 464 K CB -1.022 31.537 32.500 0.098 0.000 0.648 464 K HN 0.121 nan 8.250 nan 0.000 0.373 465 L N 1.591 122.822 121.223 0.014 0.000 2.362 465 L HA 0.125 4.465 4.340 -0.000 0.000 0.219 465 L C 0.716 177.595 176.870 0.014 0.000 1.134 465 L CA 0.863 55.713 54.840 0.016 0.000 0.807 465 L CB -0.475 41.593 42.059 0.015 0.000 0.927 465 L HN 0.591 nan 8.230 nan 0.000 0.447 466 A N 0.430 123.257 122.820 0.011 0.000 1.935 466 A HA -0.181 4.139 4.320 -0.000 0.000 0.488 466 A C 1.187 178.773 177.584 0.003 0.000 0.501 466 A CA 0.335 52.376 52.037 0.007 0.000 0.379 466 A CB -0.430 18.578 19.000 0.014 0.000 2.852 466 A HN 0.378 nan 8.150 nan 0.000 0.390 467 E N 1.944 122.139 120.200 -0.007 0.000 2.110 467 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 467 E C 1.357 177.958 176.600 0.001 0.000 0.988 467 E CA 1.363 57.758 56.400 -0.008 0.000 0.804 467 E CB -0.206 29.478 29.700 -0.027 0.000 0.745 467 E HN 0.901 nan 8.360 nan 0.000 0.458 468 K N -0.353 120.048 120.400 0.001 0.000 3.290 468 K HA -0.329 3.991 4.320 -0.000 0.000 0.309 468 K C 1.070 177.674 176.600 0.008 0.000 1.207 468 K CA 1.380 57.671 56.287 0.007 0.000 0.939 468 K CB -1.306 31.201 32.500 0.012 0.000 1.230 468 K HN 0.273 nan 8.250 nan 0.000 0.428 469 E N 1.375 121.578 120.200 0.005 0.000 2.245 469 E HA -0.283 4.067 4.350 -0.000 0.000 0.217 469 E C 0.307 176.912 176.600 0.007 0.000 1.069 469 E CA 1.499 57.904 56.400 0.008 0.000 0.877 469 E CB -0.304 29.399 29.700 0.005 0.000 0.757 469 E HN 0.500 nan 8.360 nan 0.000 0.464 470 E N 0.330 120.531 120.200 0.001 0.000 2.401 470 E HA -0.243 4.107 4.350 -0.000 0.000 0.272 470 E C -0.467 176.132 176.600 -0.002 0.000 1.895 470 E CA 0.406 56.807 56.400 0.001 0.000 0.997 470 E CB -0.284 29.424 29.700 0.014 0.000 0.834 470 E HN 0.192 nan 8.360 nan 0.000 0.334 471 T N 2.896 117.432 114.554 -0.030 0.000 3.228 471 T HA 0.140 4.490 4.350 -0.000 0.000 0.261 471 T C 1.570 176.267 174.700 -0.004 0.000 1.171 471 T CA 0.720 62.789 62.100 -0.050 0.000 1.056 471 T CB -0.093 68.677 68.868 -0.164 0.000 0.938 471 T HN 0.914 nan 8.240 nan 0.000 0.539 472 G N 1.160 109.968 108.800 0.014 0.000 2.267 472 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 472 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 472 G C 0.186 175.105 174.900 0.031 0.000 0.998 472 G CA -0.002 45.123 45.100 0.041 0.000 0.620 472 G HN 0.494 nan 8.290 nan 0.000 0.529 473 M N 0.965 120.558 119.600 -0.011 0.000 2.314 473 M HA 0.639 5.119 4.480 -0.000 0.000 0.342 473 M C 0.312 176.598 176.300 -0.023 0.000 1.171 473 M CA 0.330 55.611 55.300 -0.032 0.000 1.098 473 M CB 1.744 34.270 32.600 -0.124 0.000 1.559 473 M HN 0.691 nan 8.290 nan 0.000 0.459 474 A N 3.387 126.204 122.820 -0.005 0.000 2.556 474 A HA 0.954 5.274 4.320 -0.000 0.000 0.294 474 A C -1.372 176.223 177.584 0.018 0.000 1.091 474 A CA -0.771 51.272 52.037 0.011 0.000 0.704 474 A CB 2.526 21.546 19.000 0.034 0.000 1.300 474 A HN 0.930 nan 8.150 nan 0.000 0.406 475 M N 1.422 121.039 119.600 0.028 0.000 2.414 475 M HA 0.639 5.119 4.480 -0.000 0.000 0.287 475 M C -1.464 174.871 176.300 0.060 0.000 1.181 475 M CA -0.380 54.946 55.300 0.044 0.000 0.933 475 M CB 1.909 34.516 32.600 0.012 0.000 1.732 475 M HN 1.056 nan 8.290 nan 0.000 0.486 476 R N 3.213 123.771 120.500 0.096 0.000 2.734 476 R HA 0.621 4.961 4.340 -0.000 0.000 0.271 476 R C -1.789 174.580 176.300 0.115 0.000 1.021 476 R CA -1.019 55.133 56.100 0.087 0.000 0.893 476 R CB 1.104 31.448 30.300 0.074 0.000 1.244 476 R HN 0.552 nan 8.270 nan 0.000 0.464 477 I N 1.750 122.376 120.570 0.093 0.000 2.395 477 I HA 0.393 4.563 4.170 -0.000 0.000 0.289 477 I C 0.190 176.379 176.117 0.121 0.000 1.023 477 I CA -0.535 60.831 61.300 0.111 0.000 1.350 477 I CB 1.076 39.123 38.000 0.079 0.000 1.409 477 I HN 0.594 nan 8.210 nan 0.000 0.507 478 R N 3.262 123.871 120.500 0.183 0.000 2.711 478 R HA 0.510 4.850 4.340 -0.000 0.000 0.284 478 R C 0.661 177.117 176.300 0.260 0.000 0.968 478 R CA -0.454 55.750 56.100 0.174 0.000 0.924 478 R CB 2.100 32.492 30.300 0.154 0.000 1.162 478 R HN 0.506 nan 8.270 nan 0.000 0.465 479 V N -0.090 119.933 119.914 0.182 0.000 3.635 479 V HA 0.431 4.551 4.120 -0.000 0.000 0.266 479 V C 0.990 177.216 176.094 0.220 0.000 1.316 479 V CA 1.152 63.560 62.300 0.181 0.000 1.060 479 V CB 0.228 32.071 31.823 0.033 0.000 0.820 479 V HN 0.971 nan 8.190 nan 0.000 0.447 480 G N 1.099 109.991 108.800 0.153 0.000 4.754 480 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.222 480 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.222 480 G C 0.127 175.056 174.900 0.050 0.000 1.377 480 G CA 0.862 46.025 45.100 0.104 0.000 0.942 480 G HN 1.057 nan 8.290 nan 0.000 0.671 481 Q N -0.377 119.446 119.800 0.039 0.000 2.590 481 Q HA 0.701 5.041 4.340 -0.000 0.000 0.295 481 Q C -0.185 175.755 176.000 -0.100 0.000 0.973 481 Q CA -0.056 55.737 55.803 -0.017 0.000 0.768 481 Q CB 1.054 29.791 28.738 -0.000 0.000 1.479 481 Q HN 0.876 nan 8.270 nan 0.000 0.419 482 S N 0.439 116.059 115.700 -0.133 0.000 2.558 482 S HA 0.361 4.831 4.470 -0.000 0.000 0.291 482 S C -0.621 173.818 174.600 -0.270 0.000 1.306 482 S CA 0.029 58.076 58.200 -0.254 0.000 1.056 482 S CB 0.009 63.120 63.200 -0.149 0.000 0.836 482 S HN 0.421 nan 8.310 nan 0.000 0.504 483 M N 4.327 123.670 119.600 -0.427 0.000 2.602 483 M HA 0.570 5.050 4.480 -0.000 0.000 0.312 483 M C -0.530 175.546 176.300 -0.373 0.000 1.181 483 M CA -0.766 54.255 55.300 -0.466 0.000 0.910 483 M CB 1.434 33.399 32.600 -1.059 0.000 1.723 483 M HN 0.375 nan 8.290 nan 0.000 0.459 484 N N 1.132 119.701 118.700 -0.218 0.000 2.384 484 N HA 0.433 5.173 4.740 -0.000 0.000 0.301 484 N C -1.052 174.413 175.510 -0.075 0.000 1.133 484 N CA -0.613 52.350 53.050 -0.145 0.000 0.853 484 N CB 1.372 39.812 38.487 -0.078 0.000 1.241 484 N HN 0.714 nan 8.380 nan 0.000 0.502 485 M N 1.474 121.030 119.600 -0.074 0.000 2.390 485 M HA 0.082 4.562 4.480 -0.000 0.000 0.353 485 M C 0.918 177.263 176.300 0.074 0.000 1.623 485 M CA 1.061 56.386 55.300 0.042 0.000 1.065 485 M CB -1.076 31.528 32.600 0.007 0.000 2.025 485 M HN 0.931 nan 8.290 nan 0.000 0.461 486 G N 3.074 111.990 108.800 0.193 0.000 2.211 486 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.201 486 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.201 486 G C 0.004 174.781 174.900 -0.206 0.000 0.997 486 G CA 0.276 45.213 45.100 -0.272 0.000 0.652 486 G HN 0.991 nan 8.290 nan 0.000 0.500 487 S N -0.130 115.653 115.700 0.139 0.000 2.689 487 S HA 0.783 5.253 4.470 -0.000 0.000 0.306 487 S C -0.994 173.831 174.600 0.375 0.000 1.104 487 S CA -0.558 57.741 58.200 0.165 0.000 0.973 487 S CB 2.667 65.942 63.200 0.126 0.000 1.121 487 S HN 0.061 nan 8.310 nan 0.000 0.523 488 D N 0.730 121.277 120.400 0.245 0.000 2.229 488 D HA 0.736 5.376 4.640 -0.000 0.000 0.249 488 D C -0.480 175.972 176.300 0.253 0.000 1.027 488 D CA 0.021 54.118 54.000 0.161 0.000 0.923 488 D CB 1.180 42.007 40.800 0.045 0.000 1.174 488 D HN 0.615 nan 8.370 nan 0.000 0.443 489 F N -1.905 118.070 119.950 0.040 0.000 2.741 489 F HA 0.407 4.934 4.527 -0.000 0.000 0.311 489 F C -1.438 174.320 175.800 -0.070 0.000 1.149 489 F CA -1.135 56.858 58.000 -0.010 0.000 0.930 489 F CB 1.244 40.231 39.000 -0.021 0.000 1.312 489 F HN -0.088 nan 8.300 nan 0.000 0.450 490 D N 1.850 122.289 120.400 0.065 0.000 2.198 490 D HA 0.611 5.251 4.640 -0.000 0.000 0.247 490 D C -0.476 175.617 176.300 -0.345 0.000 1.010 490 D CA -0.241 53.613 54.000 -0.242 0.000 0.880 490 D CB 2.581 43.182 40.800 -0.331 0.000 1.209 490 D HN 0.689 nan 8.370 nan 0.000 0.451 491 V N -1.708 117.869 119.914 -0.561 0.000 3.155 491 V HA 0.817 4.937 4.120 -0.000 0.000 0.313 491 V C -1.123 174.460 176.094 -0.851 0.000 1.162 491 V CA -0.823 61.220 62.300 -0.428 0.000 1.048 491 V CB 1.752 33.546 31.823 -0.049 0.000 1.092 491 V HN 0.351 nan 8.190 nan 0.000 0.447 492 F N -0.115 119.881 119.950 0.076 0.000 2.578 492 F HA 0.846 5.373 4.527 -0.000 0.000 0.311 492 F C 0.320 176.167 175.800 0.078 0.000 1.094 492 F CA -0.566 57.479 58.000 0.075 0.000 0.923 492 F CB 2.079 41.138 39.000 0.099 0.000 1.230 492 F HN 0.834 nan 8.300 nan 0.000 0.450 493 A N 1.267 124.219 122.820 0.219 0.000 2.279 493 A HA 0.463 4.783 4.320 -0.000 0.000 0.306 493 A C -1.312 176.375 177.584 0.172 0.000 1.300 493 A CA -0.310 51.815 52.037 0.145 0.000 0.925 493 A CB -0.369 18.671 19.000 0.067 0.000 1.152 493 A HN 0.842 nan 8.150 nan 0.000 0.544 494 H N 2.649 121.775 119.070 0.093 0.000 2.641 494 H HA 0.573 5.129 4.556 -0.000 0.000 0.295 494 H C -0.651 174.700 175.328 0.038 0.000 1.070 494 H CA -0.223 55.864 56.048 0.065 0.000 1.257 494 H CB 0.286 30.081 29.762 0.054 0.000 1.393 494 H HN 0.577 nan 8.280 nan 0.000 0.464 495 I N 4.244 124.665 120.570 -0.248 0.000 2.392 495 I HA 0.233 4.403 4.170 -0.000 0.000 0.295 495 I C -0.029 176.001 176.117 -0.144 0.000 0.985 495 I CA -0.355 60.867 61.300 -0.130 0.000 1.221 495 I CB 1.824 39.766 38.000 -0.096 0.000 1.366 495 I HN 0.532 nan 8.210 nan 0.000 0.467 496 T N 4.278 118.816 114.554 -0.026 0.000 2.815 496 T HA 0.231 4.581 4.350 -0.000 0.000 0.289 496 T C -0.344 174.370 174.700 0.023 0.000 1.000 496 T CA -0.538 61.573 62.100 0.018 0.000 0.958 496 T CB 0.618 69.535 68.868 0.081 0.000 0.944 496 T HN 0.436 nan 8.240 nan 0.000 0.442 497 N N 3.322 122.037 118.700 0.025 0.000 2.816 497 N HA 0.165 4.905 4.740 -0.000 0.000 0.236 497 N C -0.469 175.040 175.510 -0.001 0.000 1.076 497 N CA -0.564 52.503 53.050 0.029 0.000 0.902 497 N CB 0.306 38.812 38.487 0.032 0.000 1.149 497 N HN 0.300 nan 8.380 nan 0.000 0.506 498 N N 2.084 120.807 118.700 0.040 0.000 3.331 498 N HA 0.231 4.971 4.740 -0.000 0.000 0.303 498 N C -1.303 174.192 175.510 -0.025 0.000 1.326 498 N CA 0.126 53.243 53.050 0.112 0.000 1.207 498 N CB 0.051 38.634 38.487 0.160 0.000 1.477 498 N HN 0.358 nan 8.380 nan 0.000 0.541 499 T N -1.073 113.200 114.554 -0.470 0.000 2.843 499 T HA 0.496 4.846 4.350 -0.000 0.000 0.302 499 T C 0.739 174.649 174.700 -1.316 0.000 1.232 499 T CA -0.400 61.332 62.100 -0.614 0.000 1.009 499 T CB 1.510 70.244 68.868 -0.223 0.000 1.254 499 T HN 0.121 nan 8.240 nan 0.000 0.504 500 A N 0.658 122.981 122.820 -0.829 0.000 2.072 500 A HA 0.273 4.593 4.320 -0.000 0.000 0.216 500 A C 0.711 178.053 177.584 -0.403 0.000 1.156 500 A CA 0.835 52.530 52.037 -0.570 0.000 0.701 500 A CB -0.240 18.710 19.000 -0.082 0.000 0.816 500 A HN 0.727 nan 8.150 nan 0.000 0.458 501 E N 0.778 120.703 120.200 -0.459 0.000 2.349 501 E HA 0.356 4.706 4.350 -0.000 0.000 0.265 501 E C -0.184 176.044 176.600 -0.621 0.000 1.064 501 E CA -0.191 55.898 56.400 -0.519 0.000 0.886 501 E CB 0.610 29.906 29.700 -0.673 0.000 1.036 501 E HN 0.597 nan 8.360 nan 0.000 0.413 502 E N 1.910 121.830 120.200 -0.466 0.000 2.133 502 E HA 0.284 4.634 4.350 -0.000 0.000 0.274 502 E C -1.007 175.408 176.600 -0.307 0.000 0.930 502 E CA -0.619 55.585 56.400 -0.327 0.000 0.770 502 E CB 0.743 30.347 29.700 -0.161 0.000 1.104 502 E HN 0.402 nan 8.360 nan 0.000 0.403 503 Y N 1.515 121.770 120.300 -0.075 0.000 2.453 503 Y HA 0.457 5.007 4.550 -0.000 0.000 0.326 503 Y C -0.075 175.792 175.900 -0.056 0.000 1.186 503 Y CA -1.219 56.840 58.100 -0.068 0.000 1.200 503 Y CB 1.948 40.362 38.460 -0.077 0.000 1.247 503 Y HN 0.302 nan 8.280 nan 0.000 0.482 504 V N 2.548 122.542 119.914 0.133 0.000 2.409 504 V HA 0.374 4.494 4.120 -0.000 0.000 0.290 504 V C -0.655 175.453 176.094 0.025 0.000 1.017 504 V CA -0.740 61.592 62.300 0.054 0.000 0.841 504 V CB 0.543 32.384 31.823 0.031 0.000 1.003 504 V HN 0.910 nan 8.190 nan 0.000 0.426 505 C N 4.164 123.464 119.300 0.001 0.000 3.119 505 C HA 0.833 5.293 4.460 -0.000 0.000 0.359 505 C C -0.042 174.934 174.990 -0.024 0.000 1.486 505 C CA -1.155 57.838 59.018 -0.042 0.000 1.556 505 C CB 2.244 29.934 27.740 -0.082 0.000 2.063 505 C HN 0.961 nan 8.230 nan 0.000 0.454 506 R N 0.485 120.960 120.500 -0.041 0.000 2.670 506 R HA 0.854 5.194 4.340 -0.000 0.000 0.289 506 R C -1.753 174.532 176.300 -0.025 0.000 0.965 506 R CA -0.537 55.560 56.100 -0.005 0.000 0.899 506 R CB 1.240 31.543 30.300 0.005 0.000 1.173 506 R HN 0.536 nan 8.270 nan 0.000 0.456 507 L N 3.340 124.566 121.223 0.005 0.000 2.349 507 L HA 0.411 4.751 4.340 -0.000 0.000 0.278 507 L C -1.605 175.249 176.870 -0.027 0.000 0.996 507 L CA -0.937 53.888 54.840 -0.025 0.000 0.825 507 L CB 1.895 43.946 42.059 -0.013 0.000 1.243 507 L HN 0.570 nan 8.230 nan 0.000 0.412 508 L N 6.400 127.532 121.223 -0.152 0.000 2.280 508 L HA 0.494 4.834 4.340 -0.000 0.000 0.287 508 L C -0.619 176.050 176.870 -0.335 0.000 1.023 508 L CA -0.505 54.117 54.840 -0.364 0.000 0.819 508 L CB 1.069 42.587 42.059 -0.903 0.000 1.212 508 L HN 0.482 nan 8.230 nan 0.000 0.420 509 L N 3.549 124.688 121.223 -0.142 0.000 2.317 509 L HA 0.648 4.988 4.340 -0.000 0.000 0.281 509 L C -0.202 176.691 176.870 0.039 0.000 1.024 509 L CA -0.170 54.638 54.840 -0.054 0.000 0.810 509 L CB 1.763 43.817 42.059 -0.008 0.000 1.240 509 L HN 0.757 nan 8.230 nan 0.000 0.427 510 C N 3.384 122.711 119.300 0.045 0.000 2.811 510 C HA 0.910 5.370 4.460 -0.000 0.000 0.352 510 C C -0.773 174.258 174.990 0.069 0.000 1.098 510 C CA -0.451 58.646 59.018 0.131 0.000 1.295 510 C CB 0.580 28.472 27.740 0.253 0.000 1.758 510 C HN 0.997 nan 8.230 nan 0.000 0.488 511 A N 6.164 129.018 122.820 0.056 0.000 2.343 511 A HA 0.995 5.315 4.320 -0.000 0.000 0.316 511 A C -0.675 176.932 177.584 0.039 0.000 1.104 511 A CA -0.623 51.435 52.037 0.034 0.000 0.768 511 A CB 0.894 19.899 19.000 0.007 0.000 1.213 511 A HN 0.967 nan 8.150 nan 0.000 0.456 512 R N 0.948 121.470 120.500 0.037 0.000 2.771 512 R HA 0.675 5.015 4.340 -0.000 0.000 0.274 512 R C -0.469 175.850 176.300 0.033 0.000 0.987 512 R CA -0.687 55.434 56.100 0.036 0.000 0.908 512 R CB 1.160 31.480 30.300 0.034 0.000 1.213 512 R HN 0.664 nan 8.270 nan 0.000 0.468 513 T N -0.875 113.702 114.554 0.038 0.000 2.900 513 T HA 0.406 4.756 4.350 -0.000 0.000 0.307 513 T C 0.484 175.201 174.700 0.028 0.000 1.065 513 T CA -0.553 61.569 62.100 0.036 0.000 1.105 513 T CB 0.772 69.672 68.868 0.054 0.000 0.979 513 T HN 0.407 nan 8.240 nan 0.000 0.544 514 V N -0.234 119.700 119.914 0.033 0.000 2.971 514 V HA 0.696 4.816 4.120 -0.000 0.000 0.309 514 V C 0.193 176.310 176.094 0.038 0.000 1.130 514 V CA -1.280 61.031 62.300 0.020 0.000 0.964 514 V CB 1.558 33.389 31.823 0.013 0.000 1.029 514 V HN 1.224 nan 8.190 nan 0.000 0.427 515 S N 1.739 117.443 115.700 0.006 0.000 2.632 515 S HA 0.364 4.834 4.470 -0.000 0.000 0.267 515 S C 0.822 175.413 174.600 -0.014 0.000 1.276 515 S CA 0.185 58.408 58.200 0.038 0.000 0.998 515 S CB 0.513 63.710 63.200 -0.006 0.000 0.953 515 S HN 1.326 nan 8.310 nan 0.000 0.547 516 Y N 1.309 121.561 120.300 -0.081 0.000 2.333 516 Y HA -0.070 4.480 4.550 -0.000 0.000 0.290 516 Y C 1.502 177.173 175.900 -0.383 0.000 1.144 516 Y CA 1.406 59.375 58.100 -0.218 0.000 1.228 516 Y CB -0.621 37.619 38.460 -0.366 0.000 0.985 516 Y HN 0.709 nan 8.280 nan 0.000 0.542 517 N N 0.289 118.206 118.700 -1.306 0.000 2.370 517 N HA 0.163 4.903 4.740 -0.000 0.000 0.198 517 N C 1.339 176.165 175.510 -1.141 0.000 1.156 517 N CA 0.781 52.731 53.050 -1.833 0.000 0.839 517 N CB 0.256 37.215 38.487 -2.547 0.000 0.989 517 N HN 0.678 nan 8.380 nan 0.000 0.468 518 G N 0.374 108.851 108.800 -0.538 0.000 2.213 518 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 518 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 518 G C -0.085 174.702 174.900 -0.188 0.000 0.992 518 G CA -0.095 44.836 45.100 -0.282 0.000 0.632 518 G HN 0.356 nan 8.290 nan 0.000 0.511 519 I N 2.786 123.233 120.570 -0.206 0.000 2.576 519 I HA 0.219 4.389 4.170 -0.000 0.000 0.288 519 I C 0.991 177.071 176.117 -0.062 0.000 1.126 519 I CA -0.055 61.176 61.300 -0.114 0.000 1.362 519 I CB 0.340 38.282 38.000 -0.097 0.000 1.419 519 I HN 0.057 nan 8.210 nan 0.000 0.533 520 L N 6.503 127.700 121.223 -0.043 0.000 2.416 520 L HA 0.351 4.691 4.340 -0.000 0.000 0.272 520 L C 1.081 177.947 176.870 -0.007 0.000 1.161 520 L CA -0.064 54.764 54.840 -0.019 0.000 0.845 520 L CB 0.520 42.571 42.059 -0.014 0.000 1.119 520 L HN 0.686 nan 8.230 nan 0.000 0.464 521 G N 2.961 111.764 108.800 0.005 0.000 2.642 521 G HA2 0.589 4.549 3.960 -0.000 0.000 0.291 521 G HA3 0.589 4.549 3.960 -0.000 0.000 0.291 521 G C -2.641 172.266 174.900 0.012 0.000 1.345 521 G CA -1.072 44.033 45.100 0.008 0.000 1.043 521 G HN 0.392 nan 8.290 nan 0.000 0.528 522 P HA 0.135 nan 4.420 nan 0.000 0.272 522 P C -0.181 177.129 177.300 0.017 0.000 1.223 522 P CA -0.150 62.955 63.100 0.008 0.000 0.784 522 P CB 0.827 32.526 31.700 -0.002 0.000 0.923 523 E N 0.305 120.515 120.200 0.017 0.000 2.565 523 E HA -0.050 4.300 4.350 -0.000 0.000 0.268 523 E C 0.321 176.933 176.600 0.020 0.000 1.000 523 E CA 0.540 56.955 56.400 0.025 0.000 0.964 523 E CB -0.039 29.673 29.700 0.020 0.000 0.955 523 E HN 0.577 nan 8.360 nan 0.000 0.459 524 C N 0.333 119.649 119.300 0.027 0.000 3.395 524 C HA 0.659 5.119 4.460 -0.000 0.000 0.264 524 C C 0.283 175.273 174.990 0.000 0.000 2.141 524 C CA -0.099 58.934 59.018 0.024 0.000 1.689 524 C CB -0.516 27.273 27.740 0.082 0.000 3.416 524 C HN 0.733 nan 8.230 nan 0.000 0.432 525 G N 1.115 109.914 108.800 -0.001 0.000 2.093 525 G HA2 0.531 4.491 3.960 -0.000 0.000 0.298 525 G HA3 0.531 4.491 3.960 -0.000 0.000 0.298 525 G C -0.930 173.981 174.900 0.018 0.000 1.713 525 G CA 0.404 45.492 45.100 -0.020 0.000 0.907 525 G HN 1.058 nan 8.290 nan 0.000 0.702 526 T N -1.313 113.258 114.554 0.029 0.000 2.883 526 T HA 0.861 5.211 4.350 -0.000 0.000 0.301 526 T C -0.783 173.958 174.700 0.068 0.000 1.158 526 T CA -1.029 61.133 62.100 0.103 0.000 1.007 526 T CB 2.927 71.887 68.868 0.153 0.000 1.186 526 T HN 0.905 nan 8.240 nan 0.000 0.499 527 K N 1.028 121.501 120.400 0.121 0.000 2.569 527 K HA 0.521 4.841 4.320 -0.000 0.000 0.259 527 K C -2.089 174.579 176.600 0.113 0.000 0.932 527 K CA -0.888 55.410 56.287 0.019 0.000 0.833 527 K CB 1.566 34.049 32.500 -0.027 0.000 1.340 527 K HN 0.855 nan 8.250 nan 0.000 0.429 528 Y N 2.005 122.374 120.300 0.116 0.000 2.512 528 Y HA 0.737 5.287 4.550 -0.000 0.000 0.348 528 Y C -1.772 174.164 175.900 0.061 0.000 0.990 528 Y CA -1.306 56.861 58.100 0.110 0.000 1.033 528 Y CB 1.433 40.026 38.460 0.223 0.000 1.259 528 Y HN 0.335 nan 8.280 nan 0.000 0.461 529 L N 4.680 126.047 121.223 0.240 0.000 2.406 529 L HA 0.420 4.760 4.340 -0.000 0.000 0.272 529 L C -0.056 176.937 176.870 0.204 0.000 0.980 529 L CA -0.593 54.342 54.840 0.158 0.000 0.831 529 L CB 2.316 44.412 42.059 0.060 0.000 1.253 529 L HN 0.864 nan 8.230 nan 0.000 0.406 530 L N 2.108 123.460 121.223 0.216 0.000 2.513 530 L HA 0.230 4.570 4.340 -0.000 0.000 0.222 530 L C 0.642 177.555 176.870 0.072 0.000 1.096 530 L CA 0.404 55.327 54.840 0.138 0.000 0.857 530 L CB 0.137 42.279 42.059 0.137 0.000 1.026 530 L HN 0.603 nan 8.230 nan 0.000 0.469 531 N N 0.638 119.377 118.700 0.065 0.000 2.642 531 N HA 0.220 4.960 4.740 -0.000 0.000 0.308 531 N C -0.710 174.818 175.510 0.029 0.000 1.914 531 N CA -0.074 52.999 53.050 0.039 0.000 0.893 531 N CB 1.398 39.906 38.487 0.035 0.000 1.322 531 N HN 0.121 nan 8.380 nan 0.000 0.490 532 L N 1.897 123.136 121.223 0.026 0.000 2.500 532 L HA 0.128 4.468 4.340 -0.000 0.000 0.272 532 L C -0.024 176.856 176.870 0.017 0.000 1.149 532 L CA 0.579 55.429 54.840 0.017 0.000 0.897 532 L CB 0.184 42.248 42.059 0.009 0.000 1.178 532 L HN 0.106 nan 8.230 nan 0.000 0.473 533 T N 5.734 120.297 114.554 0.014 0.000 2.728 533 T HA 0.400 4.750 4.350 -0.000 0.000 0.296 533 T C 0.031 174.738 174.700 0.013 0.000 0.940 533 T CA -0.470 61.639 62.100 0.015 0.000 1.013 533 T CB 0.653 69.525 68.868 0.006 0.000 0.912 533 T HN 0.365 nan 8.240 nan 0.000 0.484 534 L N 3.939 125.180 121.223 0.030 0.000 2.262 534 L HA 0.344 4.684 4.340 -0.000 0.000 0.288 534 L C 0.678 177.549 176.870 0.002 0.000 1.035 534 L CA -0.916 53.940 54.840 0.026 0.000 0.820 534 L CB 0.677 42.778 42.059 0.069 0.000 1.204 534 L HN 0.524 nan 8.230 nan 0.000 0.424 535 E N 4.832 125.021 120.200 -0.017 0.000 2.392 535 E HA 0.198 4.548 4.350 -0.000 0.000 0.259 535 E C -2.255 174.301 176.600 -0.073 0.000 1.108 535 E CA -1.708 54.668 56.400 -0.040 0.000 0.916 535 E CB 0.249 29.938 29.700 -0.017 0.000 0.989 535 E HN 0.283 nan 8.360 nan 0.000 0.432 536 P HA -0.001 nan 4.420 nan 0.000 0.271 536 P C -0.274 176.959 177.300 -0.112 0.000 1.216 536 P CA -0.047 62.905 63.100 -0.247 0.000 0.776 536 P CB 0.100 31.642 31.700 -0.264 0.000 0.881 537 F N -0.971 118.975 119.950 -0.008 0.000 3.004 537 F HA -0.235 4.292 4.527 -0.000 0.000 0.264 537 F C 0.340 176.143 175.800 0.005 0.000 0.979 537 F CA 0.613 58.615 58.000 0.003 0.000 0.896 537 F CB -2.041 36.957 39.000 -0.003 0.000 0.813 537 F HN 0.210 nan 8.300 nan 0.000 0.804 538 S N -1.278 114.477 115.700 0.092 0.000 2.697 538 S HA 0.726 5.196 4.470 -0.000 0.000 0.289 538 S C -0.493 174.124 174.600 0.030 0.000 1.149 538 S CA -1.194 57.044 58.200 0.063 0.000 0.850 538 S CB 2.852 66.072 63.200 0.032 0.000 1.151 538 S HN 0.238 nan 8.310 nan 0.000 0.491 539 E N 0.458 120.661 120.200 0.004 0.000 2.312 539 E HA 0.560 4.910 4.350 -0.000 0.000 0.267 539 E C -1.189 175.333 176.600 -0.129 0.000 0.894 539 E CA -0.749 55.610 56.400 -0.069 0.000 0.773 539 E CB 2.450 32.152 29.700 0.004 0.000 1.241 539 E HN 0.310 nan 8.360 nan 0.000 0.432 540 K N 0.724 120.977 120.400 -0.244 0.000 2.422 540 K HA 0.437 4.757 4.320 -0.000 0.000 0.251 540 K C -1.518 174.913 176.600 -0.282 0.000 0.933 540 K CA -0.523 55.655 56.287 -0.181 0.000 0.798 540 K CB 2.122 34.567 32.500 -0.092 0.000 1.238 540 K HN 0.353 nan 8.250 nan 0.000 0.428 541 S N 2.706 118.333 115.700 -0.122 0.000 2.596 541 S HA 0.442 4.912 4.470 -0.000 0.000 0.318 541 S C -1.356 173.313 174.600 0.116 0.000 1.097 541 S CA -0.600 57.599 58.200 -0.002 0.000 1.080 541 S CB 1.006 64.236 63.200 0.050 0.000 0.991 541 S HN 0.301 nan 8.310 nan 0.000 0.471 542 V N 8.232 128.238 119.914 0.153 0.000 2.370 542 V HA 0.547 4.667 4.120 -0.000 0.000 0.283 542 V C -2.018 174.191 176.094 0.192 0.000 1.023 542 V CA -1.824 60.559 62.300 0.138 0.000 0.857 542 V CB 1.534 33.392 31.823 0.059 0.000 0.985 542 V HN 0.723 nan 8.190 nan 0.000 0.443 543 P HA 0.420 nan 4.420 nan 0.000 0.281 543 P C -1.164 176.059 177.300 -0.128 0.000 1.249 543 P CA -0.559 62.512 63.100 -0.048 0.000 0.810 543 P CB 2.077 33.806 31.700 0.047 0.000 1.008 544 L N 3.165 124.239 121.223 -0.249 0.000 2.441 544 L HA 0.400 4.740 4.340 -0.000 0.000 0.270 544 L C -1.106 175.626 176.870 -0.231 0.000 0.973 544 L CA -0.756 53.979 54.840 -0.174 0.000 0.842 544 L CB 1.181 43.163 42.059 -0.129 0.000 1.239 544 L HN 0.440 nan 8.230 nan 0.000 0.406 545 C N 6.705 125.893 119.300 -0.187 0.000 2.482 545 C HA 0.567 5.027 4.460 -0.000 0.000 0.378 545 C C 0.238 175.073 174.990 -0.259 0.000 1.284 545 C CA -0.577 58.313 59.018 -0.214 0.000 1.826 545 C CB -1.272 26.383 27.740 -0.141 0.000 2.473 545 C HN 0.721 nan 8.230 nan 0.000 0.562 546 I N 7.698 127.998 120.570 -0.450 0.000 2.355 546 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 546 I C -0.261 175.625 176.117 -0.386 0.000 0.999 546 I CA -0.145 60.864 61.300 -0.485 0.000 1.163 546 I CB 1.002 38.512 38.000 -0.817 0.000 1.316 546 I HN 0.483 nan 8.210 nan 0.000 0.454 547 L N 5.759 126.893 121.223 -0.148 0.000 2.322 547 L HA 0.282 4.622 4.340 -0.000 0.000 0.279 547 L C 0.805 177.537 176.870 -0.231 0.000 1.036 547 L CA -0.594 54.183 54.840 -0.105 0.000 0.807 547 L CB 1.302 43.296 42.059 -0.108 0.000 1.226 547 L HN 0.533 nan 8.230 nan 0.000 0.433 548 Y N 1.527 121.571 120.300 -0.427 0.000 2.114 548 Y HA -0.268 4.282 4.550 -0.000 0.000 0.282 548 Y C 2.177 177.660 175.900 -0.695 0.000 1.165 548 Y CA 1.855 59.399 58.100 -0.927 0.000 1.148 548 Y CB 0.163 38.389 38.460 -0.389 0.000 0.972 548 Y HN 0.623 nan 8.280 nan 0.000 0.504 549 E N 0.580 120.508 120.200 -0.454 0.000 2.219 549 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 549 E C 1.874 178.246 176.600 -0.381 0.000 0.998 549 E CA 1.462 57.617 56.400 -0.407 0.000 0.818 549 E CB -0.182 29.410 29.700 -0.179 0.000 0.741 549 E HN 0.601 nan 8.360 nan 0.000 0.477 550 K N -0.387 119.811 120.400 -0.337 0.000 2.323 550 K HA -0.036 4.284 4.320 -0.000 0.000 0.197 550 K C 1.622 178.147 176.600 -0.126 0.000 1.043 550 K CA 0.500 56.672 56.287 -0.192 0.000 0.997 550 K CB 0.221 32.659 32.500 -0.104 0.000 0.807 550 K HN 0.237 nan 8.250 nan 0.000 0.497 551 Y N -0.326 119.885 120.300 -0.149 0.000 2.430 551 Y HA 0.220 4.770 4.550 -0.000 0.000 0.248 551 Y C 1.656 177.472 175.900 -0.141 0.000 1.108 551 Y CA -0.669 57.370 58.100 -0.101 0.000 1.264 551 Y CB -0.353 38.089 38.460 -0.030 0.000 1.172 551 Y HN -0.141 nan 8.280 nan 0.000 0.520 552 R N 0.577 120.791 120.500 -0.476 0.000 2.120 552 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 552 R C 0.679 176.886 176.300 -0.155 0.000 1.123 552 R CA 1.915 57.767 56.100 -0.413 0.000 0.975 552 R CB -0.598 29.095 30.300 -1.011 0.000 0.866 552 R HN 0.210 nan 8.270 nan 0.000 0.446 553 D N 0.851 121.167 120.400 -0.141 0.000 2.123 553 D HA -0.064 4.576 4.640 -0.000 0.000 0.200 553 D C 1.429 177.717 176.300 -0.021 0.000 0.976 553 D CA 1.321 55.277 54.000 -0.074 0.000 0.831 553 D CB -0.110 40.644 40.800 -0.077 0.000 0.974 553 D HN 0.348 nan 8.370 nan 0.000 0.469 554 C N 0.333 119.636 119.300 0.005 0.000 3.038 554 C HA 0.338 4.798 4.460 -0.000 0.000 0.279 554 C C 0.864 175.889 174.990 0.058 0.000 1.276 554 C CA -0.992 58.042 59.018 0.025 0.000 1.697 554 C CB -0.795 26.956 27.740 0.018 0.000 2.032 554 C HN 0.159 nan 8.230 nan 0.000 0.636 555 L N 2.988 124.268 121.223 0.095 0.000 2.499 555 L HA 0.249 4.589 4.340 -0.000 0.000 0.273 555 L C 1.049 177.980 176.870 0.101 0.000 1.195 555 L CA 0.972 55.879 54.840 0.110 0.000 0.882 555 L CB 0.592 42.754 42.059 0.173 0.000 1.133 555 L HN 0.418 nan 8.230 nan 0.000 0.483 556 T N 0.238 114.854 114.554 0.104 0.000 2.824 556 T HA 0.250 4.600 4.350 -0.000 0.000 0.277 556 T C 0.817 175.596 174.700 0.133 0.000 0.975 556 T CA -0.369 61.811 62.100 0.132 0.000 0.966 556 T CB 0.651 69.618 68.868 0.164 0.000 1.054 556 T HN 0.709 nan 8.240 nan 0.000 0.533 557 E N -0.020 120.270 120.200 0.151 0.000 2.515 557 E HA -0.004 4.346 4.350 -0.000 0.000 0.201 557 E C 1.661 178.336 176.600 0.124 0.000 1.071 557 E CA 0.344 56.819 56.400 0.125 0.000 0.880 557 E CB -0.088 29.682 29.700 0.117 0.000 0.828 557 E HN 0.532 nan 8.360 nan 0.000 0.540 558 S N 0.730 116.522 115.700 0.153 0.000 2.593 558 S HA -0.004 4.466 4.470 -0.000 0.000 0.217 558 S C 0.095 174.832 174.600 0.229 0.000 0.966 558 S CA -0.166 58.154 58.200 0.199 0.000 0.914 558 S CB 0.068 63.414 63.200 0.243 0.000 0.776 558 S HN 0.305 nan 8.310 nan 0.000 0.523 559 N N 1.354 120.110 118.700 0.093 0.000 2.714 559 N HA -0.150 4.590 4.740 -0.000 0.000 0.252 559 N C -1.033 174.445 175.510 -0.053 0.000 1.014 559 N CA 0.611 53.620 53.050 -0.068 0.000 0.735 559 N CB -1.740 36.539 38.487 -0.347 0.000 0.924 559 N HN 0.437 nan 8.380 nan 0.000 0.540 560 L N -0.080 121.179 121.223 0.060 0.000 2.334 560 L HA 0.652 4.992 4.340 -0.000 0.000 0.276 560 L C 0.511 177.396 176.870 0.025 0.000 1.014 560 L CA -0.689 54.201 54.840 0.083 0.000 0.815 560 L CB 1.614 43.776 42.059 0.171 0.000 1.268 560 L HN 0.018 nan 8.230 nan 0.000 0.428 561 I N 2.404 122.983 120.570 0.015 0.000 2.619 561 I HA 0.346 4.516 4.170 -0.000 0.000 0.292 561 I C -0.640 175.500 176.117 0.038 0.000 1.100 561 I CA -0.675 60.631 61.300 0.010 0.000 1.043 561 I CB 2.611 40.601 38.000 -0.016 0.000 1.239 561 I HN 0.530 nan 8.210 nan 0.000 0.420 562 K N 5.918 126.340 120.400 0.037 0.000 2.339 562 K HA 0.599 4.919 4.320 -0.000 0.000 0.264 562 K C -1.474 175.147 176.600 0.034 0.000 0.986 562 K CA -0.458 55.853 56.287 0.039 0.000 0.866 562 K CB 1.604 34.121 32.500 0.030 0.000 1.103 562 K HN 0.395 nan 8.250 nan 0.000 0.441 563 V N 4.690 124.627 119.914 0.037 0.000 2.509 563 V HA 0.439 4.559 4.120 -0.000 0.000 0.284 563 V C 0.035 176.143 176.094 0.022 0.000 1.047 563 V CA -0.629 61.689 62.300 0.030 0.000 0.952 563 V CB 1.306 33.151 31.823 0.035 0.000 0.988 563 V HN 0.773 nan 8.190 nan 0.000 0.469 564 R N 2.863 123.371 120.500 0.013 0.000 2.628 564 R HA 0.799 5.139 4.340 -0.000 0.000 0.288 564 R C -1.203 175.081 176.300 -0.026 0.000 0.980 564 R CA -0.445 55.653 56.100 -0.003 0.000 0.891 564 R CB 1.995 32.293 30.300 -0.004 0.000 1.188 564 R HN 0.830 nan 8.270 nan 0.000 0.450 565 A N 4.179 126.980 122.820 -0.033 0.000 2.398 565 A HA 0.571 4.891 4.320 -0.000 0.000 0.301 565 A C -1.975 175.574 177.584 -0.059 0.000 1.041 565 A CA -0.614 51.392 52.037 -0.052 0.000 0.711 565 A CB 1.666 20.656 19.000 -0.018 0.000 1.240 565 A HN 0.529 nan 8.150 nan 0.000 0.420 566 L N 2.699 123.863 121.223 -0.097 0.000 2.376 566 L HA 0.775 5.115 4.340 -0.000 0.000 0.275 566 L C -1.479 175.349 176.870 -0.071 0.000 0.987 566 L CA -0.589 54.211 54.840 -0.066 0.000 0.828 566 L CB 1.604 43.617 42.059 -0.076 0.000 1.249 566 L HN 0.704 nan 8.230 nan 0.000 0.409 567 L N 6.383 127.572 121.223 -0.057 0.000 2.333 567 L HA 0.811 5.151 4.340 -0.000 0.000 0.280 567 L C -1.306 175.477 176.870 -0.144 0.000 1.004 567 L CA -0.428 54.358 54.840 -0.090 0.000 0.820 567 L CB 1.831 43.836 42.059 -0.090 0.000 1.247 567 L HN 0.478 nan 8.230 nan 0.000 0.416 568 V N 4.285 124.084 119.914 -0.191 0.000 2.588 568 V HA 0.724 4.844 4.120 -0.000 0.000 0.304 568 V C -1.053 174.852 176.094 -0.314 0.000 1.042 568 V CA -0.378 61.701 62.300 -0.368 0.000 0.877 568 V CB 1.910 33.432 31.823 -0.502 0.000 0.996 568 V HN 0.944 nan 8.190 nan 0.000 0.425 569 E N 9.199 129.176 120.200 -0.371 0.000 2.073 569 E HA 0.537 4.887 4.350 -0.000 0.000 0.269 569 E C -2.045 174.400 176.600 -0.258 0.000 0.917 569 E CA -2.075 54.158 56.400 -0.278 0.000 0.757 569 E CB 1.879 31.368 29.700 -0.352 0.000 1.111 569 E HN 0.491 nan 8.360 nan 0.000 0.410 570 P HA -0.194 nan 4.420 nan 0.000 0.218 570 P C 1.157 178.405 177.300 -0.087 0.000 1.148 570 P CA 0.691 63.712 63.100 -0.131 0.000 0.822 570 P CB 0.299 31.953 31.700 -0.077 0.000 0.784 571 V N 1.257 121.138 119.914 -0.055 0.000 2.214 571 V HA -0.242 3.878 4.120 -0.000 0.000 0.244 571 V C 2.717 178.793 176.094 -0.030 0.000 1.045 571 V CA 2.135 64.423 62.300 -0.020 0.000 0.993 571 V CB -1.137 30.699 31.823 0.021 0.000 0.633 571 V HN -0.018 nan 8.190 nan 0.000 0.449 572 I N 0.026 120.572 120.570 -0.041 0.000 2.928 572 I HA -0.015 4.155 4.170 -0.000 0.000 0.266 572 I C 1.078 177.150 176.117 -0.076 0.000 1.234 572 I CA 0.823 62.100 61.300 -0.039 0.000 1.483 572 I CB -0.548 37.431 38.000 -0.037 0.000 1.097 572 I HN 0.592 nan 8.210 nan 0.000 0.455 573 N N 1.160 119.772 118.700 -0.146 0.000 2.771 573 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 573 N C -0.211 175.120 175.510 -0.300 0.000 1.069 573 N CA 0.660 53.568 53.050 -0.238 0.000 0.688 573 N CB -1.023 37.361 38.487 -0.172 0.000 0.928 573 N HN 0.305 nan 8.380 nan 0.000 0.551 574 S N 0.683 116.172 115.700 -0.353 0.000 2.508 574 S HA 0.598 5.068 4.470 -0.000 0.000 0.284 574 S C -0.944 173.353 174.600 -0.504 0.000 1.192 574 S CA -0.424 57.610 58.200 -0.275 0.000 1.070 574 S CB 0.408 63.487 63.200 -0.201 0.000 1.004 574 S HN 0.269 nan 8.310 nan 0.000 0.493 575 Y N 3.673 123.927 120.300 -0.077 0.000 2.334 575 Y HA 0.552 5.102 4.550 -0.000 0.000 0.336 575 Y C -0.319 175.540 175.900 -0.069 0.000 0.960 575 Y CA -0.837 57.224 58.100 -0.065 0.000 1.164 575 Y CB 1.322 39.766 38.460 -0.027 0.000 1.155 575 Y HN 0.462 nan 8.280 nan 0.000 0.478 576 L N 5.240 126.470 121.223 0.012 0.000 2.298 576 L HA 0.520 4.860 4.340 -0.000 0.000 0.284 576 L C -1.267 175.606 176.870 0.006 0.000 1.013 576 L CA -0.610 54.224 54.840 -0.010 0.000 0.824 576 L CB 0.852 42.876 42.059 -0.059 0.000 1.221 576 L HN 0.637 nan 8.230 nan 0.000 0.418 577 L N 4.512 125.739 121.223 0.007 0.000 2.334 577 L HA 0.919 5.259 4.340 -0.000 0.000 0.276 577 L C -0.809 176.060 176.870 -0.002 0.000 1.014 577 L CA -0.565 54.275 54.840 0.001 0.000 0.815 577 L CB 1.813 43.870 42.059 -0.003 0.000 1.268 577 L HN 0.787 nan 8.230 nan 0.000 0.428 578 A N 4.249 127.069 122.820 -0.001 0.000 2.488 578 A HA 0.684 5.004 4.320 -0.000 0.000 0.295 578 A C -1.322 176.269 177.584 0.011 0.000 1.045 578 A CA -0.578 51.466 52.037 0.011 0.000 0.703 578 A CB 1.673 20.686 19.000 0.021 0.000 1.271 578 A HN 0.765 nan 8.150 nan 0.000 0.400 579 E N 0.558 120.769 120.200 0.018 0.000 2.392 579 E HA 0.755 5.105 4.350 -0.000 0.000 0.269 579 E C -0.852 175.770 176.600 0.036 0.000 0.924 579 E CA -0.973 55.440 56.400 0.021 0.000 0.784 579 E CB 2.901 32.607 29.700 0.010 0.000 1.292 579 E HN 0.582 nan 8.360 nan 0.000 0.447 580 R N 1.243 121.769 120.500 0.043 0.000 2.594 580 R HA 0.177 4.517 4.340 -0.000 0.000 0.265 580 R C -1.850 174.487 176.300 0.062 0.000 1.070 580 R CA -0.536 55.597 56.100 0.055 0.000 0.909 580 R CB 1.439 31.772 30.300 0.055 0.000 1.243 580 R HN 0.518 nan 8.270 nan 0.000 0.455 581 D N 4.480 124.928 120.400 0.080 0.000 2.329 581 D HA 0.228 4.868 4.640 -0.000 0.000 0.232 581 D C -0.336 176.022 176.300 0.098 0.000 1.088 581 D CA -0.427 53.631 54.000 0.097 0.000 0.835 581 D CB 1.656 42.539 40.800 0.138 0.000 1.078 581 D HN 0.132 nan 8.370 nan 0.000 0.495 582 L N 2.476 123.740 121.223 0.067 0.000 2.350 582 L HA 0.230 4.570 4.340 -0.000 0.000 0.275 582 L C -0.379 176.521 176.870 0.051 0.000 1.099 582 L CA -0.561 54.290 54.840 0.018 0.000 0.808 582 L CB 0.363 42.404 42.059 -0.030 0.000 1.149 582 L HN 0.314 nan 8.230 nan 0.000 0.442 583 Y N 3.507 123.739 120.300 -0.113 0.000 2.328 583 Y HA 0.548 5.098 4.550 -0.000 0.000 0.336 583 Y C -0.888 174.882 175.900 -0.217 0.000 0.960 583 Y CA -0.899 57.160 58.100 -0.069 0.000 1.134 583 Y CB 0.948 39.468 38.460 0.101 0.000 1.166 583 Y HN 0.385 nan 8.280 nan 0.000 0.464 584 L N 5.679 126.421 121.223 -0.801 0.000 2.290 584 L HA 0.309 4.649 4.340 -0.000 0.000 0.284 584 L C 0.040 176.419 176.870 -0.818 0.000 1.078 584 L CA -0.611 53.818 54.840 -0.684 0.000 0.815 584 L CB 1.060 42.841 42.059 -0.465 0.000 1.162 584 L HN 0.641 nan 8.230 nan 0.000 0.435 585 E N 2.932 122.869 120.200 -0.439 0.000 2.360 585 E HA 0.092 4.442 4.350 -0.000 0.000 0.269 585 E C -0.384 176.156 176.600 -0.099 0.000 1.022 585 E CA -0.142 56.167 56.400 -0.150 0.000 0.887 585 E CB 0.624 30.316 29.700 -0.014 0.000 0.990 585 E HN 0.386 nan 8.360 nan 0.000 0.426 586 N N 3.877 122.577 118.700 -0.000 0.000 2.463 586 N HA 0.344 5.084 4.740 -0.000 0.000 0.270 586 N C -2.364 173.154 175.510 0.013 0.000 1.205 586 N CA -1.384 51.672 53.050 0.009 0.000 0.974 586 N CB 0.425 38.947 38.487 0.059 0.000 1.197 586 N HN 0.421 nan 8.380 nan 0.000 0.504 587 P HA 0.064 nan 4.420 nan 0.000 0.272 587 P C -0.346 176.948 177.300 -0.011 0.000 1.223 587 P CA -0.096 62.986 63.100 -0.031 0.000 0.784 587 P CB 0.940 32.594 31.700 -0.077 0.000 0.923 588 E N 1.536 121.731 120.200 -0.009 0.000 2.390 588 E HA 0.207 4.557 4.350 -0.000 0.000 0.261 588 E C -0.525 176.071 176.600 -0.006 0.000 1.076 588 E CA -0.499 55.901 56.400 0.001 0.000 0.905 588 E CB 0.374 30.069 29.700 -0.009 0.000 0.984 588 E HN 0.351 nan 8.360 nan 0.000 0.427 589 I N 4.792 125.370 120.570 0.014 0.000 2.307 589 I HA 0.150 4.320 4.170 -0.000 0.000 0.289 589 I C -0.076 176.031 176.117 -0.017 0.000 1.021 589 I CA -0.843 60.477 61.300 0.033 0.000 1.224 589 I CB 0.967 39.034 38.000 0.112 0.000 1.376 589 I HN 0.278 nan 8.210 nan 0.000 0.470 590 K N 7.762 128.140 120.400 -0.036 0.000 2.298 590 K HA 0.489 4.809 4.320 -0.000 0.000 0.280 590 K C -0.496 176.058 176.600 -0.077 0.000 1.032 590 K CA -0.119 56.132 56.287 -0.061 0.000 0.958 590 K CB 1.355 33.821 32.500 -0.058 0.000 0.978 590 K HN 0.532 nan 8.250 nan 0.000 0.472 591 I N 3.247 123.767 120.570 -0.082 0.000 2.468 591 I HA 0.267 4.437 4.170 -0.000 0.000 0.284 591 I C -0.137 175.937 176.117 -0.071 0.000 1.038 591 I CA -0.586 60.664 61.300 -0.083 0.000 1.083 591 I CB 1.592 39.544 38.000 -0.079 0.000 1.223 591 I HN 0.266 nan 8.210 nan 0.000 0.443 592 R N 5.777 126.237 120.500 -0.067 0.000 2.407 592 R HA 0.613 4.953 4.340 -0.000 0.000 0.303 592 R C -0.809 175.466 176.300 -0.042 0.000 0.981 592 R CA -0.776 55.294 56.100 -0.051 0.000 0.905 592 R CB 1.868 32.139 30.300 -0.049 0.000 1.099 592 R HN 0.410 nan 8.270 nan 0.000 0.459 593 I N 5.557 126.109 120.570 -0.029 0.000 2.330 593 I HA 0.223 4.393 4.170 -0.000 0.000 0.286 593 I C -0.258 175.851 176.117 -0.014 0.000 1.025 593 I CA -0.381 60.909 61.300 -0.018 0.000 1.197 593 I CB 0.964 38.959 38.000 -0.007 0.000 1.358 593 I HN 0.452 nan 8.210 nan 0.000 0.467 594 L N 6.008 127.222 121.223 -0.015 0.000 2.275 594 L HA 0.783 5.123 4.340 -0.000 0.000 0.288 594 L C 0.762 177.629 176.870 -0.005 0.000 1.046 594 L CA -0.322 54.510 54.840 -0.012 0.000 0.805 594 L CB 1.104 43.154 42.059 -0.016 0.000 1.193 594 L HN 0.819 nan 8.230 nan 0.000 0.426 595 G N 2.821 111.619 108.800 -0.003 0.000 2.603 595 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 595 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 595 G C -0.948 173.954 174.900 0.005 0.000 1.286 595 G CA -0.880 44.220 45.100 0.001 0.000 0.871 595 G HN 0.621 nan 8.290 nan 0.000 0.568 596 E N 1.594 121.799 120.200 0.007 0.000 2.229 596 E HA 0.369 4.719 4.350 -0.000 0.000 0.283 596 E C -1.944 174.666 176.600 0.016 0.000 1.030 596 E CA -1.516 54.890 56.400 0.010 0.000 0.836 596 E CB 1.514 31.219 29.700 0.009 0.000 1.068 596 E HN 0.335 nan 8.360 nan 0.000 0.401 597 P HA 0.063 nan 4.420 nan 0.000 0.263 597 P C -1.093 176.229 177.300 0.036 0.000 1.601 597 P CA 0.183 63.303 63.100 0.033 0.000 1.161 597 P CB 0.147 31.867 31.700 0.034 0.000 1.730 598 K N 1.724 122.145 120.400 0.035 0.000 2.371 598 K HA 0.266 4.586 4.320 -0.000 0.000 0.251 598 K C -0.024 176.599 176.600 0.039 0.000 0.934 598 K CA -0.925 55.382 56.287 0.034 0.000 0.798 598 K CB 2.229 34.743 32.500 0.022 0.000 1.204 598 K HN 0.266 nan 8.250 nan 0.000 0.427 599 Q N 2.249 122.074 119.800 0.042 0.000 2.304 599 Q HA -0.121 4.219 4.340 -0.000 0.000 0.301 599 Q C -0.626 175.384 176.000 0.017 0.000 1.063 599 Q CA 0.680 56.505 55.803 0.038 0.000 0.947 599 Q CB 0.298 29.055 28.738 0.031 0.000 1.201 599 Q HN 0.459 nan 8.270 nan 0.000 0.389 600 K N 2.294 122.700 120.400 0.010 0.000 3.974 600 K HA -0.225 4.095 4.320 -0.000 0.000 0.280 600 K C -1.812 174.792 176.600 0.007 0.000 0.949 600 K CA 1.128 57.416 56.287 0.000 0.000 0.817 600 K CB -0.823 31.670 32.500 -0.012 0.000 1.535 600 K HN 0.727 nan 8.250 nan 0.000 0.444 601 R N 1.694 122.202 120.500 0.013 0.000 2.579 601 R HA 0.183 4.523 4.340 -0.000 0.000 0.260 601 R C -0.777 175.531 176.300 0.014 0.000 1.103 601 R CA -1.094 55.013 56.100 0.012 0.000 0.942 601 R CB 0.884 31.193 30.300 0.014 0.000 1.251 601 R HN 0.145 nan 8.270 nan 0.000 0.450 602 K N 2.579 122.985 120.400 0.010 0.000 2.530 602 K HA 0.029 4.349 4.320 -0.000 0.000 0.280 602 K C -0.399 176.208 176.600 0.011 0.000 1.004 602 K CA 0.264 56.556 56.287 0.010 0.000 1.071 602 K CB 0.243 32.747 32.500 0.006 0.000 0.876 602 K HN 0.253 nan 8.250 nan 0.000 0.487 603 L N 3.877 125.107 121.223 0.012 0.000 2.438 603 L HA 0.346 4.686 4.340 -0.000 0.000 0.270 603 L C -1.043 175.830 176.870 0.005 0.000 0.972 603 L CA -0.852 53.996 54.840 0.012 0.000 0.831 603 L CB 2.097 44.169 42.059 0.023 0.000 1.273 603 L HN 0.209 nan 8.230 nan 0.000 0.405 604 V N 3.729 123.642 119.914 -0.002 0.000 2.417 604 V HA 0.771 4.891 4.120 -0.000 0.000 0.291 604 V C 0.259 176.342 176.094 -0.019 0.000 1.024 604 V CA -0.686 61.607 62.300 -0.011 0.000 0.861 604 V CB 1.650 33.464 31.823 -0.014 0.000 0.985 604 V HN 0.888 nan 8.190 nan 0.000 0.436 605 A N 3.888 126.691 122.820 -0.028 0.000 2.287 605 A HA 0.665 4.985 4.320 -0.000 0.000 0.317 605 A C -0.219 177.320 177.584 -0.074 0.000 1.220 605 A CA -0.518 51.493 52.037 -0.043 0.000 0.835 605 A CB 0.684 19.663 19.000 -0.034 0.000 1.180 605 A HN 0.847 nan 8.150 nan 0.000 0.500 606 E N 2.563 122.713 120.200 -0.084 0.000 2.081 606 E HA 0.472 4.822 4.350 -0.000 0.000 0.276 606 E C -0.777 175.725 176.600 -0.163 0.000 0.950 606 E CA -0.510 55.820 56.400 -0.116 0.000 0.776 606 E CB 1.034 30.684 29.700 -0.084 0.000 1.094 606 E HN 0.629 nan 8.360 nan 0.000 0.402 607 V N 1.880 121.626 119.914 -0.280 0.000 2.581 607 V HA 0.859 4.979 4.120 -0.000 0.000 0.303 607 V C -0.422 175.382 176.094 -0.483 0.000 1.041 607 V CA -0.416 61.656 62.300 -0.380 0.000 0.907 607 V CB 1.393 32.903 31.823 -0.522 0.000 0.994 607 V HN 0.664 nan 8.190 nan 0.000 0.442 608 S N 4.474 120.017 115.700 -0.261 0.000 2.588 608 S HA 0.920 5.390 4.470 -0.000 0.000 0.269 608 S C -1.164 173.449 174.600 0.023 0.000 1.157 608 S CA -0.547 57.592 58.200 -0.102 0.000 0.824 608 S CB 1.705 64.859 63.200 -0.078 0.000 1.126 608 S HN 2.285 nan 8.310 nan 0.000 0.464 609 L N -1.424 119.821 121.223 0.038 0.000 2.568 609 L HA 0.784 5.124 4.340 -0.000 0.000 0.257 609 L C -1.113 175.698 176.870 -0.099 0.000 1.024 609 L CA -0.734 54.065 54.840 -0.067 0.000 0.854 609 L CB 1.681 43.621 42.059 -0.197 0.000 1.460 609 L HN 0.945 nan 8.230 nan 0.000 0.409 610 Q N 1.566 121.303 119.800 -0.104 0.000 2.322 610 Q HA 0.410 4.750 4.340 -0.000 0.000 0.265 610 Q C -0.764 175.173 176.000 -0.105 0.000 0.985 610 Q CA -0.637 55.115 55.803 -0.084 0.000 0.849 610 Q CB 1.266 29.970 28.738 -0.056 0.000 1.274 610 Q HN 0.794 nan 8.270 nan 0.000 0.449 611 N N 5.696 124.341 118.700 -0.092 0.000 2.414 611 N HA -0.013 4.727 4.740 -0.000 0.000 0.268 611 N C -1.851 173.614 175.510 -0.075 0.000 1.286 611 N CA -1.057 51.944 53.050 -0.081 0.000 0.896 611 N CB 0.966 39.427 38.487 -0.042 0.000 1.093 611 N HN 0.496 nan 8.380 nan 0.000 0.480 612 P HA 0.022 nan 4.420 nan 0.000 0.245 612 P C 0.083 177.298 177.300 -0.142 0.000 1.203 612 P CA 0.432 63.476 63.100 -0.094 0.000 0.792 612 P CB 0.500 32.151 31.700 -0.082 0.000 0.997 613 L N 1.967 123.101 121.223 -0.149 0.000 2.439 613 L HA 0.260 4.600 4.340 -0.000 0.000 0.261 613 L C -0.950 175.810 176.870 -0.184 0.000 1.153 613 L CA -2.002 52.689 54.840 -0.249 0.000 0.808 613 L CB 0.473 42.436 42.059 -0.160 0.000 1.126 613 L HN -0.216 nan 8.230 nan 0.000 0.460 614 P HA 0.004 nan 4.420 nan 0.000 0.249 614 P C -0.114 177.163 177.300 -0.038 0.000 1.229 614 P CA 0.470 63.507 63.100 -0.105 0.000 0.788 614 P CB 0.246 31.890 31.700 -0.093 0.000 1.072 615 V N -3.984 115.916 119.914 -0.023 0.000 3.164 615 V HA 0.903 5.023 4.120 -0.000 0.000 0.313 615 V C -0.314 175.788 176.094 0.014 0.000 1.188 615 V CA -1.616 60.694 62.300 0.016 0.000 1.058 615 V CB 1.141 32.998 31.823 0.057 0.000 1.110 615 V HN -0.007 nan 8.190 nan 0.000 0.453 616 A N 1.078 123.912 122.820 0.023 0.000 2.322 616 A HA 0.763 5.083 4.320 -0.000 0.000 0.269 616 A C -0.662 176.947 177.584 0.041 0.000 1.094 616 A CA -0.433 51.620 52.037 0.027 0.000 0.807 616 A CB 0.372 19.386 19.000 0.024 0.000 1.047 616 A HN 0.821 nan 8.150 nan 0.000 0.487 617 L N 1.543 122.797 121.223 0.052 0.000 2.289 617 L HA 0.477 4.817 4.340 -0.000 0.000 0.285 617 L C 0.311 177.214 176.870 0.055 0.000 1.049 617 L CA 0.430 55.313 54.840 0.073 0.000 0.804 617 L CB 1.074 43.210 42.059 0.128 0.000 1.195 617 L HN 0.824 nan 8.230 nan 0.000 0.428 618 E N 1.071 121.289 120.200 0.031 0.000 2.312 618 E HA 0.603 4.953 4.350 -0.000 0.000 0.267 618 E C 0.132 176.717 176.600 -0.025 0.000 0.894 618 E CA -0.351 56.055 56.400 0.010 0.000 0.773 618 E CB 1.769 31.473 29.700 0.007 0.000 1.241 618 E HN 0.718 nan 8.360 nan 0.000 0.432 619 G N 1.430 110.210 108.800 -0.034 0.000 2.198 619 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.257 619 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.257 619 G C 0.142 174.957 174.900 -0.142 0.000 1.042 619 G CA -0.132 44.926 45.100 -0.071 0.000 0.791 619 G HN 0.552 nan 8.290 nan 0.000 0.502 620 C N 0.689 119.915 119.300 -0.123 0.000 2.642 620 C HA 0.571 5.031 4.460 -0.000 0.000 0.420 620 C C 0.995 175.815 174.990 -0.284 0.000 1.349 620 C CA 0.673 59.535 59.018 -0.260 0.000 1.821 620 C CB -0.083 27.668 27.740 0.018 0.000 2.637 620 C HN 0.606 nan 8.230 nan 0.000 0.605 621 T N 3.602 117.819 114.554 -0.561 0.000 3.071 621 T HA 0.425 4.775 4.350 -0.000 0.000 0.311 621 T C -0.879 173.591 174.700 -0.383 0.000 1.042 621 T CA -0.186 61.722 62.100 -0.321 0.000 1.028 621 T CB 0.629 69.345 68.868 -0.253 0.000 1.068 621 T HN 0.331 nan 8.240 nan 0.000 0.451 622 F N 2.033 121.962 119.950 -0.035 0.000 2.422 622 F HA 0.641 5.168 4.527 -0.000 0.000 0.333 622 F C 0.881 176.682 175.800 0.002 0.000 1.095 622 F CA -0.328 57.697 58.000 0.041 0.000 1.038 622 F CB 1.908 40.973 39.000 0.109 0.000 1.156 622 F HN 0.394 nan 8.300 nan 0.000 0.483 623 T N 2.641 117.319 114.554 0.208 0.000 2.886 623 T HA 0.730 5.080 4.350 -0.000 0.000 0.292 623 T C -1.066 173.699 174.700 0.107 0.000 1.012 623 T CA -0.717 61.444 62.100 0.101 0.000 0.982 623 T CB 1.906 70.785 68.868 0.019 0.000 1.018 623 T HN 0.291 nan 8.240 nan 0.000 0.451 624 V N 2.377 122.330 119.914 0.066 0.000 3.049 624 V HA 0.827 4.947 4.120 -0.000 0.000 0.309 624 V C -0.802 175.299 176.094 0.012 0.000 1.148 624 V CA -0.841 61.487 62.300 0.045 0.000 0.990 624 V CB 2.245 34.095 31.823 0.046 0.000 1.039 624 V HN 1.102 nan 8.190 nan 0.000 0.430 625 E N 1.896 122.091 120.200 -0.007 0.000 2.432 625 E HA 0.746 5.096 4.350 -0.000 0.000 0.279 625 E C -0.744 175.833 176.600 -0.039 0.000 1.099 625 E CA -0.669 55.714 56.400 -0.028 0.000 0.859 625 E CB 2.073 31.743 29.700 -0.051 0.000 1.402 625 E HN 1.330 nan 8.360 nan 0.000 0.451 626 G N -0.193 108.578 108.800 -0.049 0.000 2.050 626 G HA2 0.484 4.444 3.960 -0.000 0.000 0.274 626 G HA3 0.484 4.444 3.960 -0.000 0.000 0.274 626 G C -0.917 173.937 174.900 -0.077 0.000 1.733 626 G CA -0.370 44.699 45.100 -0.052 0.000 0.905 626 G HN 0.779 nan 8.290 nan 0.000 0.728 627 A N 0.879 123.646 122.820 -0.089 0.000 2.515 627 A HA 0.655 4.975 4.320 -0.000 0.000 0.263 627 A C 1.648 179.035 177.584 -0.327 0.000 1.096 627 A CA 1.527 53.483 52.037 -0.135 0.000 0.769 627 A CB -0.019 18.931 19.000 -0.084 0.000 1.040 627 A HN 2.820 nan 8.150 nan 0.000 0.505 628 G N 1.105 109.674 108.800 -0.386 0.000 2.278 628 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.210 628 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.210 628 G C 0.425 175.119 174.900 -0.343 0.000 1.000 628 G CA 0.325 45.001 45.100 -0.706 0.000 0.635 628 G HN 0.700 nan 8.290 nan 0.000 0.495 629 L N 1.573 122.689 121.223 -0.179 0.000 2.575 629 L HA 0.421 4.761 4.340 -0.000 0.000 0.228 629 L C 1.204 178.072 176.870 -0.003 0.000 1.075 629 L CA 1.961 56.780 54.840 -0.034 0.000 0.867 629 L CB -0.004 42.059 42.059 0.007 0.000 1.097 629 L HN 0.614 nan 8.230 nan 0.000 0.485 630 T N -4.575 109.973 114.554 -0.011 0.000 2.942 630 T HA 0.349 4.699 4.350 -0.000 0.000 0.327 630 T C 0.346 175.055 174.700 0.014 0.000 1.360 630 T CA -0.669 61.436 62.100 0.009 0.000 1.055 630 T CB 2.098 70.970 68.868 0.008 0.000 1.261 630 T HN -0.181 nan 8.240 nan 0.000 0.485 631 E N 0.420 120.638 120.200 0.029 0.000 2.400 631 E HA 0.145 4.495 4.350 -0.000 0.000 0.195 631 E C 0.179 176.796 176.600 0.028 0.000 1.012 631 E CA 0.544 56.967 56.400 0.038 0.000 0.875 631 E CB 0.543 30.272 29.700 0.047 0.000 0.859 631 E HN 0.644 nan 8.360 nan 0.000 0.498 632 E N 1.014 121.227 120.200 0.022 0.000 2.227 632 E HA 0.207 4.557 4.350 -0.000 0.000 0.268 632 E C -0.420 176.190 176.600 0.017 0.000 0.907 632 E CA -0.540 55.873 56.400 0.022 0.000 0.786 632 E CB 2.127 31.841 29.700 0.022 0.000 1.191 632 E HN -0.024 nan 8.360 nan 0.000 0.411 633 Q N 2.495 122.306 119.800 0.019 0.000 2.304 633 Q HA 0.083 4.423 4.340 -0.000 0.000 0.260 633 Q C -0.712 175.300 176.000 0.020 0.000 0.965 633 Q CA -0.120 55.692 55.803 0.015 0.000 0.898 633 Q CB 0.632 29.383 28.738 0.020 0.000 1.196 633 Q HN 0.144 nan 8.270 nan 0.000 0.402 634 K N 2.849 123.262 120.400 0.021 0.000 2.123 634 K HA 0.469 4.789 4.320 -0.000 0.000 0.259 634 K C -0.877 175.746 176.600 0.037 0.000 0.960 634 K CA -0.449 55.854 56.287 0.027 0.000 0.872 634 K CB 2.026 34.541 32.500 0.025 0.000 1.079 634 K HN 0.627 nan 8.250 nan 0.000 0.440 635 T N 0.566 115.142 114.554 0.038 0.000 2.912 635 T HA 0.443 4.793 4.350 -0.000 0.000 0.299 635 T C -0.988 173.746 174.700 0.056 0.000 1.052 635 T CA -0.631 61.496 62.100 0.046 0.000 0.996 635 T CB 1.817 70.698 68.868 0.022 0.000 1.070 635 T HN 0.176 nan 8.240 nan 0.000 0.465 636 V N 2.919 122.886 119.914 0.088 0.000 2.524 636 V HA 0.373 4.493 4.120 -0.000 0.000 0.297 636 V C -0.355 175.799 176.094 0.099 0.000 1.035 636 V CA -0.909 61.447 62.300 0.093 0.000 0.867 636 V CB 1.867 33.757 31.823 0.113 0.000 1.004 636 V HN 0.867 nan 8.190 nan 0.000 0.426 637 E N 4.632 124.866 120.200 0.057 0.000 2.283 637 E HA 0.550 4.900 4.350 -0.000 0.000 0.271 637 E C -1.019 175.618 176.600 0.061 0.000 1.031 637 E CA -0.814 55.606 56.400 0.034 0.000 0.868 637 E CB 1.843 31.546 29.700 0.005 0.000 1.094 637 E HN 0.395 nan 8.360 nan 0.000 0.401 638 I N 3.633 124.237 120.570 0.056 0.000 2.354 638 I HA 0.127 4.297 4.170 -0.000 0.000 0.286 638 I C -1.345 174.798 176.117 0.043 0.000 1.007 638 I CA -2.380 58.965 61.300 0.076 0.000 1.167 638 I CB 0.604 38.676 38.000 0.120 0.000 1.320 638 I HN 0.414 nan 8.210 nan 0.000 0.458 639 P HA -0.119 nan 4.420 nan 0.000 0.215 639 P C 0.047 177.362 177.300 0.024 0.000 1.157 639 P CA 1.331 64.445 63.100 0.024 0.000 0.874 639 P CB 0.430 32.144 31.700 0.023 0.000 0.790 640 D N 0.728 121.147 120.400 0.032 0.000 2.229 640 D HA 0.259 4.899 4.640 -0.000 0.000 0.249 640 D C -2.008 174.314 176.300 0.037 0.000 1.027 640 D CA -1.630 52.388 54.000 0.030 0.000 0.923 640 D CB 0.581 41.398 40.800 0.029 0.000 1.174 640 D HN 0.172 nan 8.370 nan 0.000 0.443 641 P HA 0.046 nan 4.420 nan 0.000 0.269 641 P C -0.454 176.873 177.300 0.044 0.000 1.209 641 P CA -0.298 62.824 63.100 0.036 0.000 0.776 641 P CB 0.777 32.492 31.700 0.026 0.000 0.876 642 V N 2.715 122.663 119.914 0.057 0.000 2.318 642 V HA 0.152 4.272 4.120 -0.000 0.000 0.271 642 V C 0.776 176.892 176.094 0.035 0.000 1.030 642 V CA -0.422 61.911 62.300 0.054 0.000 0.844 642 V CB 0.335 32.205 31.823 0.079 0.000 1.015 642 V HN 0.505 nan 8.190 nan 0.000 0.460 643 E N 3.064 123.278 120.200 0.023 0.000 2.408 643 E HA 0.371 4.721 4.350 -0.000 0.000 0.259 643 E C 1.435 178.036 176.600 0.002 0.000 1.110 643 E CA 0.728 57.135 56.400 0.013 0.000 0.929 643 E CB 0.992 30.697 29.700 0.009 0.000 0.971 643 E HN 0.703 nan 8.360 nan 0.000 0.438 644 A N 2.476 125.293 122.820 -0.004 0.000 1.944 644 A HA -0.301 4.019 4.320 -0.000 0.000 0.222 644 A C 1.884 179.452 177.584 -0.026 0.000 1.237 644 A CA 2.708 54.734 52.037 -0.019 0.000 0.668 644 A CB -1.211 17.777 19.000 -0.020 0.000 0.830 644 A HN 0.680 nan 8.150 nan 0.000 0.471 645 G N -1.338 107.451 108.800 -0.018 0.000 2.719 645 G HA2 0.247 4.207 3.960 -0.000 0.000 0.211 645 G HA3 0.247 4.207 3.960 -0.000 0.000 0.211 645 G C 0.360 175.248 174.900 -0.019 0.000 1.140 645 G CA 0.143 45.230 45.100 -0.022 0.000 0.790 645 G HN 0.444 nan 8.290 nan 0.000 0.529 646 E N 1.229 121.423 120.200 -0.011 0.000 2.458 646 E HA 0.133 4.483 4.350 -0.000 0.000 0.264 646 E C 0.409 177.003 176.600 -0.010 0.000 1.097 646 E CA 0.208 56.605 56.400 -0.005 0.000 0.973 646 E CB 0.555 30.259 29.700 0.007 0.000 0.963 646 E HN 0.741 nan 8.360 nan 0.000 0.451 647 E N -0.829 119.369 120.200 -0.004 0.000 2.235 647 E HA 0.549 4.899 4.350 -0.000 0.000 0.265 647 E C -1.110 175.505 176.600 0.024 0.000 0.940 647 E CA -0.956 55.440 56.400 -0.006 0.000 0.819 647 E CB 1.436 31.130 29.700 -0.011 0.000 1.206 647 E HN 0.102 nan 8.360 nan 0.000 0.409 648 V N 1.390 121.333 119.914 0.049 0.000 2.555 648 V HA 0.571 4.691 4.120 -0.000 0.000 0.302 648 V C -0.463 175.712 176.094 0.135 0.000 1.038 648 V CA -0.855 61.527 62.300 0.135 0.000 0.887 648 V CB 1.275 33.251 31.823 0.255 0.000 0.991 648 V HN 0.790 nan 8.190 nan 0.000 0.434 649 K N 3.209 123.665 120.400 0.093 0.000 2.525 649 K HA 0.822 5.142 4.320 -0.000 0.000 0.254 649 K C -1.432 175.149 176.600 -0.032 0.000 0.934 649 K CA -0.539 55.739 56.287 -0.017 0.000 0.802 649 K CB 2.506 34.989 32.500 -0.029 0.000 1.295 649 K HN 0.790 nan 8.250 nan 0.000 0.433 650 V N -0.077 119.748 119.914 -0.149 0.000 3.181 650 V HA 0.719 4.839 4.120 -0.000 0.000 0.308 650 V C -1.632 174.379 176.094 -0.138 0.000 1.214 650 V CA -1.117 61.122 62.300 -0.101 0.000 1.053 650 V CB 2.053 33.853 31.823 -0.038 0.000 1.069 650 V HN 0.841 nan 8.190 nan 0.000 0.441 651 R N 2.808 123.262 120.500 -0.077 0.000 2.480 651 R HA 0.722 5.062 4.340 -0.000 0.000 0.306 651 R C -1.251 175.022 176.300 -0.046 0.000 0.958 651 R CA -0.844 55.215 56.100 -0.069 0.000 0.861 651 R CB 1.875 32.149 30.300 -0.043 0.000 1.171 651 R HN 0.724 nan 8.270 nan 0.000 0.445 652 M N 2.038 121.610 119.600 -0.048 0.000 2.336 652 M HA 0.339 4.819 4.480 -0.000 0.000 0.342 652 M C -0.478 175.814 176.300 -0.013 0.000 1.128 652 M CA -0.406 54.881 55.300 -0.022 0.000 1.016 652 M CB 1.553 34.142 32.600 -0.019 0.000 1.665 652 M HN 0.420 nan 8.290 nan 0.000 0.445 653 D N 4.040 124.438 120.400 -0.003 0.000 2.274 653 D HA 0.589 5.229 4.640 -0.000 0.000 0.239 653 D C -0.549 175.755 176.300 0.006 0.000 1.104 653 D CA -0.175 53.826 54.000 0.001 0.000 0.840 653 D CB 1.915 42.717 40.800 0.003 0.000 1.100 653 D HN 0.439 nan 8.370 nan 0.000 0.477 654 L N 0.941 122.169 121.223 0.008 0.000 2.319 654 L HA 0.586 4.926 4.340 -0.000 0.000 0.267 654 L C -0.144 176.735 176.870 0.016 0.000 1.011 654 L CA -1.115 53.733 54.840 0.013 0.000 0.818 654 L CB 2.195 44.264 42.059 0.016 0.000 1.316 654 L HN 0.048 nan 8.230 nan 0.000 0.432 655 V N 1.619 121.544 119.914 0.019 0.000 2.467 655 V HA 0.207 4.327 4.120 -0.000 0.000 0.260 655 V C -2.322 173.788 176.094 0.026 0.000 0.963 655 V CA -1.140 61.172 62.300 0.019 0.000 0.856 655 V CB 0.949 32.780 31.823 0.014 0.000 1.087 655 V HN 0.583 nan 8.190 nan 0.000 0.467 656 P HA 0.132 nan 4.420 nan 0.000 0.267 656 P C -0.014 177.315 177.300 0.048 0.000 1.209 656 P CA 0.017 63.151 63.100 0.056 0.000 0.763 656 P CB 1.775 33.526 31.700 0.085 0.000 0.816 657 L N 3.179 124.433 121.223 0.052 0.000 2.693 657 L HA 0.248 4.588 4.340 -0.000 0.000 0.235 657 L C 0.448 177.166 176.870 -0.253 0.000 1.127 657 L CA 0.392 55.174 54.840 -0.097 0.000 0.914 657 L CB -1.109 40.843 42.059 -0.177 0.000 1.193 657 L HN 0.463 nan 8.230 nan 0.000 0.502 658 H N -1.797 117.311 119.070 0.064 0.000 2.768 658 H HA 0.567 5.123 4.556 -0.000 0.000 0.371 658 H C -0.176 175.309 175.328 0.263 0.000 1.151 658 H CA -0.692 55.443 56.048 0.145 0.000 1.165 658 H CB 1.392 31.243 29.762 0.148 0.000 1.722 658 H HN -0.125 nan 8.280 nan 0.000 0.543 659 M N 1.165 120.948 119.600 0.304 0.000 2.267 659 M HA 0.466 4.946 4.480 -0.000 0.000 0.303 659 M C 0.661 177.044 176.300 0.138 0.000 1.164 659 M CA 0.463 55.877 55.300 0.191 0.000 1.060 659 M CB 1.019 33.682 32.600 0.105 0.000 1.455 659 M HN 0.968 nan 8.290 nan 0.000 0.483 660 G N 0.615 109.405 108.800 -0.016 0.000 2.655 660 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.680 660 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.680 660 G C -1.492 173.138 174.900 -0.450 0.000 1.302 660 G CA -0.957 44.046 45.100 -0.162 0.000 0.872 660 G HN 0.784 nan 8.290 nan 0.000 0.540 661 L N 1.523 122.533 121.223 -0.356 0.000 2.416 661 L HA 0.712 5.052 4.340 -0.000 0.000 0.272 661 L C 0.092 176.651 176.870 -0.517 0.000 1.161 661 L CA -0.097 54.550 54.840 -0.321 0.000 0.845 661 L CB 0.281 42.266 42.059 -0.123 0.000 1.119 661 L HN 0.750 nan 8.230 nan 0.000 0.464 662 H N 3.715 122.811 119.070 0.044 0.000 2.974 662 H HA 0.406 4.962 4.556 -0.000 0.000 0.366 662 H C -0.992 174.359 175.328 0.038 0.000 1.155 662 H CA -0.896 55.171 56.048 0.033 0.000 1.186 662 H CB 1.452 31.236 29.762 0.037 0.000 1.799 662 H HN 0.551 nan 8.280 nan 0.000 0.541 663 K N 1.866 122.353 120.400 0.146 0.000 2.183 663 K HA 0.280 4.600 4.320 -0.000 0.000 0.274 663 K C -0.404 176.259 176.600 0.105 0.000 1.009 663 K CA -0.908 55.451 56.287 0.120 0.000 0.888 663 K CB 1.798 34.312 32.500 0.024 0.000 1.078 663 K HN 0.209 nan 8.250 nan 0.000 0.459 664 L N 5.275 126.575 121.223 0.129 0.000 2.261 664 L HA 0.247 4.587 4.340 -0.000 0.000 0.289 664 L C -0.705 176.232 176.870 0.112 0.000 1.059 664 L CA -0.422 54.470 54.840 0.087 0.000 0.816 664 L CB 1.148 43.251 42.059 0.072 0.000 1.191 664 L HN 0.384 nan 8.230 nan 0.000 0.431 665 V N 6.352 126.301 119.914 0.059 0.000 2.472 665 V HA 0.769 4.889 4.120 -0.000 0.000 0.290 665 V C -0.940 175.193 176.094 0.066 0.000 1.037 665 V CA -0.273 62.071 62.300 0.075 0.000 0.908 665 V CB 1.803 33.613 31.823 -0.022 0.000 0.985 665 V HN 0.697 nan 8.190 nan 0.000 0.454 666 V N 5.230 125.214 119.914 0.117 0.000 2.823 666 V HA 0.737 4.857 4.120 -0.000 0.000 0.312 666 V C -0.882 175.309 176.094 0.161 0.000 1.072 666 V CA -0.488 61.896 62.300 0.140 0.000 0.937 666 V CB 2.148 34.075 31.823 0.173 0.000 1.013 666 V HN 1.215 nan 8.190 nan 0.000 0.430 667 N N 3.628 122.426 118.700 0.164 0.000 2.238 667 N HA 0.618 5.358 4.740 -0.000 0.000 0.302 667 N C -1.804 173.785 175.510 0.132 0.000 1.072 667 N CA -0.513 52.610 53.050 0.123 0.000 0.792 667 N CB 1.921 40.424 38.487 0.027 0.000 1.425 667 N HN 0.741 nan 8.380 nan 0.000 0.478 668 F N 1.979 121.869 119.950 -0.099 0.000 2.495 668 F HA 0.610 5.137 4.527 -0.000 0.000 0.327 668 F C -0.595 175.065 175.800 -0.234 0.000 1.103 668 F CA -0.538 57.254 58.000 -0.347 0.000 0.949 668 F CB 1.632 40.355 39.000 -0.462 0.000 1.142 668 F HN 0.480 nan 8.300 nan 0.000 0.457 669 E N 3.049 122.619 120.200 -1.050 0.000 2.293 669 E HA 0.695 5.045 4.350 -0.000 0.000 0.270 669 E C -1.473 174.598 176.600 -0.883 0.000 0.879 669 E CA -0.436 55.553 56.400 -0.684 0.000 0.756 669 E CB 2.018 31.478 29.700 -0.400 0.000 1.208 669 E HN 0.745 nan 8.360 nan 0.000 0.428 670 S N 1.953 117.390 115.700 -0.438 0.000 2.703 670 S HA 0.286 4.756 4.470 -0.000 0.000 0.273 670 S C 0.057 174.594 174.600 -0.104 0.000 1.178 670 S CA -0.151 57.887 58.200 -0.269 0.000 0.838 670 S CB 0.494 63.609 63.200 -0.143 0.000 1.178 670 S HN 0.512 nan 8.310 nan 0.000 0.494 671 D N 0.618 120.990 120.400 -0.047 0.000 2.149 671 D HA -0.037 4.603 4.640 -0.000 0.000 0.201 671 D C 0.960 177.272 176.300 0.020 0.000 0.972 671 D CA 1.085 55.076 54.000 -0.015 0.000 0.835 671 D CB -0.198 40.598 40.800 -0.006 0.000 0.966 671 D HN 0.637 nan 8.370 nan 0.000 0.476 672 K N -0.663 119.766 120.400 0.049 0.000 2.402 672 K HA 0.297 4.617 4.320 -0.000 0.000 0.204 672 K C 0.116 176.786 176.600 0.116 0.000 1.056 672 K CA -0.258 56.080 56.287 0.086 0.000 1.069 672 K CB 1.820 34.382 32.500 0.102 0.000 0.888 672 K HN 0.082 nan 8.250 nan 0.000 0.546 673 L N 2.241 123.532 121.223 0.114 0.000 2.471 673 L HA 0.374 4.714 4.340 -0.000 0.000 0.263 673 L C -1.530 175.421 176.870 0.135 0.000 0.985 673 L CA -0.299 54.631 54.840 0.150 0.000 0.868 673 L CB 1.211 43.388 42.059 0.197 0.000 1.203 673 L HN -0.004 nan 8.230 nan 0.000 0.429 674 K N 2.867 123.323 120.400 0.094 0.000 2.281 674 K HA 0.701 5.021 4.320 -0.000 0.000 0.242 674 K C 0.629 177.267 176.600 0.064 0.000 0.971 674 K CA -0.141 56.172 56.287 0.045 0.000 0.834 674 K CB 2.077 34.593 32.500 0.027 0.000 1.181 674 K HN 0.588 nan 8.250 nan 0.000 0.435 675 A N 0.209 123.043 122.820 0.023 0.000 2.783 675 A HA -0.142 4.178 4.320 -0.000 0.000 0.292 675 A C 0.179 177.815 177.584 0.088 0.000 1.495 675 A CA 0.805 52.866 52.037 0.040 0.000 0.787 675 A CB -2.213 16.812 19.000 0.042 0.000 1.017 675 A HN 0.508 nan 8.150 nan 0.000 0.516 676 V N 0.019 120.014 119.914 0.136 0.000 2.455 676 V HA 0.583 4.703 4.120 -0.000 0.000 0.273 676 V C 0.376 176.558 176.094 0.148 0.000 1.045 676 V CA -0.576 61.810 62.300 0.144 0.000 0.976 676 V CB 0.813 32.719 31.823 0.138 0.000 0.993 676 V HN 0.400 nan 8.190 nan 0.000 0.475 677 K N 4.924 125.403 120.400 0.131 0.000 2.132 677 K HA 0.894 5.214 4.320 -0.000 0.000 0.241 677 K C 0.182 176.882 176.600 0.167 0.000 1.000 677 K CA 0.013 56.386 56.287 0.143 0.000 0.911 677 K CB 1.603 34.175 32.500 0.121 0.000 1.093 677 K HN 1.129 nan 8.250 nan 0.000 0.460 678 G N 0.104 109.027 108.800 0.204 0.000 2.579 678 G HA2 0.597 4.557 3.960 -0.000 0.000 0.292 678 G HA3 0.597 4.557 3.960 -0.000 0.000 0.292 678 G C -1.730 173.350 174.900 0.301 0.000 1.484 678 G CA -0.877 44.348 45.100 0.208 0.000 0.813 678 G HN 0.444 nan 8.290 nan 0.000 0.515 679 F N -0.850 119.142 119.950 0.069 0.000 2.741 679 F HA 0.953 5.480 4.527 -0.000 0.000 0.313 679 F C -1.064 174.769 175.800 0.054 0.000 1.153 679 F CA -1.508 56.529 58.000 0.061 0.000 0.931 679 F CB 2.182 41.233 39.000 0.085 0.000 1.335 679 F HN 0.738 nan 8.300 nan 0.000 0.460 680 R N 1.894 122.438 120.500 0.073 0.000 2.522 680 R HA 0.378 4.718 4.340 -0.000 0.000 0.273 680 R C -2.231 174.150 176.300 0.135 0.000 1.133 680 R CA -0.524 55.547 56.100 -0.049 0.000 0.969 680 R CB 0.953 31.213 30.300 -0.067 0.000 1.235 680 R HN 0.758 nan 8.270 nan 0.000 0.433 681 N N 2.766 121.554 118.700 0.147 0.000 2.470 681 N HA 0.200 4.940 4.740 -0.000 0.000 0.268 681 N C -0.943 174.613 175.510 0.076 0.000 1.136 681 N CA 0.054 53.187 53.050 0.138 0.000 0.961 681 N CB 1.556 40.124 38.487 0.135 0.000 1.067 681 N HN 0.273 nan 8.380 nan 0.000 0.468 682 V N 4.218 124.179 119.914 0.079 0.000 2.448 682 V HA 0.277 4.397 4.120 -0.000 0.000 0.295 682 V C 1.428 177.544 176.094 0.037 0.000 1.025 682 V CA -0.660 61.678 62.300 0.063 0.000 0.859 682 V CB 1.909 33.786 31.823 0.089 0.000 0.988 682 V HN 0.508 nan 8.190 nan 0.000 0.431 683 I N 3.262 123.843 120.570 0.018 0.000 2.339 683 I HA 0.152 4.322 4.170 -0.000 0.000 0.245 683 I C 1.025 177.142 176.117 0.001 0.000 1.096 683 I CA 0.973 62.266 61.300 -0.013 0.000 1.408 683 I CB -0.163 37.833 38.000 -0.007 0.000 1.092 683 I HN 0.606 nan 8.210 nan 0.000 0.423 684 I N 1.157 121.750 120.570 0.039 0.000 8.319 684 I HA -0.216 3.954 4.170 -0.000 0.000 0.126 684 I C 0.657 176.803 176.117 0.049 0.000 1.836 684 I CA 0.281 61.619 61.300 0.064 0.000 2.073 684 I CB -1.136 36.946 38.000 0.137 0.000 3.775 684 I HN 0.347 nan 8.210 nan 0.000 0.180 685 G N 7.125 115.948 108.800 0.039 0.000 2.702 685 G HA2 0.750 4.710 3.960 -0.000 0.000 0.254 685 G HA3 0.750 4.710 3.960 -0.000 0.000 0.254 685 G C -2.533 172.388 174.900 0.035 0.000 1.380 685 G CA -0.787 44.332 45.100 0.032 0.000 1.042 685 G HN 0.425 nan 8.290 nan 0.000 0.557 686 P HA 0.228 nan 4.420 nan 0.000 0.266 686 P C 0.254 177.566 177.300 0.019 0.000 1.195 686 P CA 0.159 63.272 63.100 0.022 0.000 0.768 686 P CB 0.793 32.503 31.700 0.016 0.000 0.838 687 A N 0.000 122.829 122.820 0.016 0.000 2.254 687 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 687 A CA 0.000 52.044 52.037 0.012 0.000 0.836 687 A CB 0.000 19.004 19.000 0.006 0.000 0.831 687 A HN 0.000 nan 8.150 nan 0.000 0.486