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 2igo_1_A DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.256 176.300 -0.073 0.000 1.140 43 M CA 0.000 55.304 55.300 0.007 0.000 0.988 43 M CB 0.000 32.417 32.600 -0.305 0.000 1.302 44 D N 4.172 124.560 120.400 -0.019 0.000 2.354 44 D HA 0.289 4.929 4.640 -0.000 0.000 0.238 44 D C 1.123 177.331 176.300 -0.153 0.000 1.250 44 D CA 0.247 54.149 54.000 -0.164 0.000 0.911 44 D CB 0.772 41.342 40.800 -0.384 0.000 1.163 44 D HN 0.789 nan 8.370 nan 0.000 0.456 45 I N -3.114 117.349 120.570 -0.180 0.000 4.081 45 I HA 0.272 4.442 4.170 -0.000 0.000 0.333 45 I C 0.122 176.195 176.117 -0.073 0.000 1.413 45 I CA -0.386 60.873 61.300 -0.069 0.000 1.110 45 I CB 0.167 38.137 38.000 -0.049 0.000 1.082 45 I HN -0.061 nan 8.210 nan 0.000 0.402 46 K N 1.072 121.277 120.400 -0.325 0.000 2.502 46 K HA 0.578 4.898 4.320 -0.000 0.000 0.254 46 K C -1.857 174.416 176.600 -0.546 0.000 0.947 46 K CA -0.519 55.610 56.287 -0.263 0.000 0.834 46 K CB 0.818 33.227 32.500 -0.152 0.000 1.112 46 K HN 0.159 nan 8.250 nan 0.000 0.427 47 Y N 1.107 121.390 120.300 -0.028 0.000 2.633 47 Y HA 0.280 4.830 4.550 -0.000 0.000 0.339 47 Y C 0.768 176.639 175.900 -0.050 0.000 1.045 47 Y CA -0.749 57.326 58.100 -0.042 0.000 1.098 47 Y CB 1.816 40.247 38.460 -0.048 0.000 1.296 47 Y HN 0.580 nan 8.280 nan 0.000 0.494 48 D N -0.008 120.468 120.400 0.127 0.000 2.120 48 D HA 0.033 4.673 4.640 -0.000 0.000 0.202 48 D C -0.358 175.923 176.300 -0.032 0.000 0.972 48 D CA 1.405 55.464 54.000 0.098 0.000 0.837 48 D CB 0.267 41.210 40.800 0.239 0.000 0.989 48 D HN 0.099 nan 8.370 nan 0.000 0.469 49 V N 1.331 121.217 119.914 -0.047 0.000 2.638 49 V HA 0.368 4.488 4.120 -0.000 0.000 0.306 49 V C -0.253 175.732 176.094 -0.182 0.000 1.052 49 V CA -1.031 61.145 62.300 -0.206 0.000 0.885 49 V CB 2.354 34.026 31.823 -0.252 0.000 0.999 49 V HN -0.017 nan 8.190 nan 0.000 0.424 50 V N 3.169 122.933 119.914 -0.251 0.000 2.513 50 V HA 0.750 4.870 4.120 -0.000 0.000 0.299 50 V C -0.589 175.435 176.094 -0.117 0.000 1.035 50 V CA -0.603 61.610 62.300 -0.145 0.000 0.889 50 V CB 1.710 33.529 31.823 -0.005 0.000 0.988 50 V HN 0.684 nan 8.190 nan 0.000 0.440 51 I N 4.080 124.604 120.570 -0.076 0.000 2.433 51 I HA 0.489 4.658 4.170 -0.000 0.000 0.292 51 I C -0.590 175.540 176.117 0.022 0.000 1.001 51 I CA -0.966 60.280 61.300 -0.091 0.000 1.119 51 I CB 2.297 40.226 38.000 -0.119 0.000 1.289 51 I HN 0.444 nan 8.210 nan 0.000 0.438 52 V N 5.336 125.250 119.914 0.001 0.000 2.348 52 V HA 0.780 4.900 4.120 -0.000 0.000 0.270 52 V C 0.429 176.524 176.094 0.001 0.000 1.037 52 V CA -0.289 62.037 62.300 0.043 0.000 0.872 52 V CB 0.500 32.324 31.823 0.003 0.000 1.002 52 V HN 1.063 nan 8.190 nan 0.000 0.464 53 G N 3.859 112.675 108.800 0.026 0.000 3.069 53 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.686 53 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.686 53 G C -0.043 174.866 174.900 0.015 0.000 1.161 53 G CA -0.247 44.861 45.100 0.013 0.000 0.804 53 G HN 1.252 nan 8.290 nan 0.000 0.608 54 S N 1.138 116.852 115.700 0.024 0.000 2.574 54 S HA 0.598 5.068 4.470 -0.000 0.000 0.242 54 S C 1.323 175.935 174.600 0.021 0.000 0.982 54 S CA 0.727 58.948 58.200 0.036 0.000 0.977 54 S CB 0.582 63.817 63.200 0.058 0.000 0.814 54 S HN 1.900 nan 8.310 nan 0.000 0.464 55 G N 2.695 111.498 108.800 0.005 0.000 2.570 55 G HA2 0.386 4.346 3.960 -0.000 0.000 0.276 55 G HA3 0.386 4.346 3.960 -0.000 0.000 0.276 55 G C -1.111 173.771 174.900 -0.030 0.000 1.346 55 G CA -1.223 43.866 45.100 -0.018 0.000 1.034 55 G HN 0.254 nan 8.290 nan 0.000 0.512 56 P HA -0.074 nan 4.420 nan 0.000 0.220 56 P C 1.732 178.982 177.300 -0.083 0.000 1.148 56 P CA 0.835 63.888 63.100 -0.077 0.000 0.803 56 P CB 0.162 31.836 31.700 -0.043 0.000 0.782 57 I N 0.178 120.733 120.570 -0.025 0.000 2.333 57 I HA -0.037 4.133 4.170 -0.000 0.000 0.246 57 I C 2.731 178.901 176.117 0.089 0.000 1.106 57 I CA 1.535 62.851 61.300 0.027 0.000 1.411 57 I CB -2.361 35.682 38.000 0.072 0.000 1.082 57 I HN 0.000 nan 8.210 nan 0.000 0.420 58 G N 0.231 109.057 108.800 0.042 0.000 2.442 58 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 58 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 58 G C 1.764 176.648 174.900 -0.028 0.000 1.141 58 G CA 0.979 46.090 45.100 0.019 0.000 0.763 58 G HN 0.409 nan 8.290 nan 0.000 0.554 59 C N 0.574 119.838 119.300 -0.060 0.000 2.432 59 C HA 0.039 4.498 4.460 -0.000 0.000 0.280 59 C C 3.181 178.031 174.990 -0.232 0.000 1.353 59 C CA 1.351 60.289 59.018 -0.134 0.000 1.766 59 C CB -0.922 26.794 27.740 -0.039 0.000 1.924 59 C HN 0.450 nan 8.230 nan 0.000 0.509 60 T N 0.047 114.496 114.554 -0.176 0.000 2.674 60 T HA -0.164 4.186 4.350 -0.000 0.000 0.265 60 T C 1.473 176.011 174.700 -0.269 0.000 1.039 60 T CA 1.628 63.592 62.100 -0.227 0.000 1.150 60 T CB -0.457 68.307 68.868 -0.173 0.000 0.864 60 T HN 0.549 nan 8.240 nan 0.000 0.427 61 Y N 1.589 121.740 120.300 -0.248 0.000 2.114 61 Y HA -0.137 4.413 4.550 -0.000 0.000 0.282 61 Y C 2.782 178.455 175.900 -0.380 0.000 1.165 61 Y CA 1.080 59.013 58.100 -0.279 0.000 1.148 61 Y CB -0.711 37.602 38.460 -0.244 0.000 0.972 61 Y HN 0.205 nan 8.280 nan 0.000 0.504 62 A N 0.140 122.758 122.820 -0.337 0.000 1.877 62 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 62 A C 2.303 179.303 177.584 -0.973 0.000 1.186 62 A CA 1.901 53.483 52.037 -0.757 0.000 0.620 62 A CB -0.792 17.495 19.000 -1.189 0.000 0.822 62 A HN 0.427 nan 8.150 nan 0.000 0.443 63 R N -0.440 119.547 120.500 -0.854 0.000 2.080 63 R HA -0.172 4.168 4.340 -0.000 0.000 0.236 63 R C 2.041 178.131 176.300 -0.350 0.000 1.137 63 R CA 1.812 57.588 56.100 -0.540 0.000 0.943 63 R CB -0.293 29.717 30.300 -0.485 0.000 0.846 63 R HN 0.567 nan 8.270 nan 0.000 0.431 64 E N 0.415 120.431 120.200 -0.307 0.000 2.077 64 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 64 E C 2.128 178.657 176.600 -0.119 0.000 0.989 64 E CA 1.240 57.535 56.400 -0.175 0.000 0.800 64 E CB -0.076 29.514 29.700 -0.185 0.000 0.746 64 E HN 0.434 nan 8.360 nan 0.000 0.452 65 L N 0.097 121.223 121.223 -0.162 0.000 2.202 65 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 65 L C 2.520 179.432 176.870 0.070 0.000 1.083 65 L CA 0.190 55.002 54.840 -0.048 0.000 0.790 65 L CB -0.261 41.660 42.059 -0.230 0.000 0.942 65 L HN -0.077 nan 8.230 nan 0.000 0.452 66 V N 0.729 120.584 119.914 -0.098 0.000 2.332 66 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 66 V C 2.620 178.729 176.094 0.024 0.000 1.055 66 V CA 2.139 64.420 62.300 -0.032 0.000 1.038 66 V CB -1.281 30.459 31.823 -0.137 0.000 0.651 66 V HN 0.573 nan 8.190 nan 0.000 0.450 67 G N -0.653 108.141 108.800 -0.009 0.000 2.448 67 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.219 67 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.219 67 G C 1.449 176.368 174.900 0.032 0.000 1.127 67 G CA 0.830 45.938 45.100 0.015 0.000 0.766 67 G HN 0.642 nan 8.290 nan 0.000 0.552 68 A N -0.627 122.231 122.820 0.064 0.000 2.275 68 A HA 0.507 4.826 4.320 -0.000 0.000 0.212 68 A C 1.827 179.393 177.584 -0.031 0.000 1.201 68 A CA 1.169 53.244 52.037 0.063 0.000 0.843 68 A CB -0.235 18.875 19.000 0.182 0.000 0.873 68 A HN 1.513 nan 8.150 nan 0.000 0.492 69 G N -2.174 106.620 108.800 -0.010 0.000 2.144 69 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 69 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 69 G C -0.106 174.700 174.900 -0.157 0.000 0.988 69 G CA 0.009 45.060 45.100 -0.081 0.000 0.659 69 G HN 0.375 nan 8.290 nan 0.000 0.522 70 Y N 0.404 120.688 120.300 -0.027 0.000 2.301 70 Y HA 0.471 5.021 4.550 -0.000 0.000 0.328 70 Y C 1.051 176.925 175.900 -0.044 0.000 1.242 70 Y CA -0.056 58.025 58.100 -0.033 0.000 1.323 70 Y CB 0.834 39.269 38.460 -0.043 0.000 1.266 70 Y HN 0.092 nan 8.280 nan 0.000 0.527 71 K N 2.654 123.120 120.400 0.110 0.000 2.292 71 K HA 0.400 4.720 4.320 -0.000 0.000 0.290 71 K C -1.594 175.096 176.600 0.149 0.000 1.083 71 K CA -0.139 56.187 56.287 0.066 0.000 0.918 71 K CB 0.009 32.510 32.500 0.001 0.000 1.089 71 K HN 0.489 nan 8.250 nan 0.000 0.473 72 V N 3.462 123.442 119.914 0.111 0.000 2.459 72 V HA 0.570 4.690 4.120 -0.000 0.000 0.295 72 V C -0.236 175.737 176.094 -0.201 0.000 1.029 72 V CA -0.892 61.426 62.300 0.030 0.000 0.874 72 V CB 1.369 33.265 31.823 0.121 0.000 0.985 72 V HN 0.898 nan 8.190 nan 0.000 0.438 73 A N 5.911 128.451 122.820 -0.466 0.000 2.337 73 A HA 0.922 5.242 4.320 -0.000 0.000 0.329 73 A C -0.613 176.603 177.584 -0.614 0.000 1.146 73 A CA -0.608 50.923 52.037 -0.843 0.000 0.800 73 A CB 1.474 19.610 19.000 -1.441 0.000 1.220 73 A HN 0.897 nan 8.150 nan 0.000 0.472 74 M N 2.353 121.515 119.600 -0.731 0.000 2.395 74 M HA 0.736 5.216 4.480 -0.000 0.000 0.307 74 M C -2.101 173.837 176.300 -0.604 0.000 1.091 74 M CA -0.446 54.607 55.300 -0.412 0.000 0.919 74 M CB 1.207 33.779 32.600 -0.048 0.000 1.662 74 M HN 0.603 nan 8.290 nan 0.000 0.440 75 F N 2.049 121.983 119.950 -0.027 0.000 2.492 75 F HA 0.594 5.121 4.527 -0.000 0.000 0.327 75 F C -0.110 175.681 175.800 -0.015 0.000 1.079 75 F CA -0.442 57.562 58.000 0.006 0.000 0.967 75 F CB 1.470 40.450 39.000 -0.033 0.000 1.169 75 F HN 0.456 nan 8.300 nan 0.000 0.472 76 D N 2.373 122.858 120.400 0.142 0.000 2.934 76 D HA 0.201 4.841 4.640 -0.000 0.000 0.230 76 D C 0.386 176.704 176.300 0.031 0.000 1.204 76 D CA -0.332 53.704 54.000 0.060 0.000 0.873 76 D CB 2.385 43.204 40.800 0.033 0.000 1.645 76 D HN 0.640 nan 8.370 nan 0.000 0.502 77 I N 1.956 122.499 120.570 -0.046 0.000 2.614 77 I HA 0.036 4.206 4.170 -0.000 0.000 0.258 77 I C 1.140 177.212 176.117 -0.076 0.000 1.189 77 I CA 0.782 62.011 61.300 -0.120 0.000 1.462 77 I CB 0.140 37.952 38.000 -0.313 0.000 1.092 77 I HN 0.345 nan 8.210 nan 0.000 0.442 78 G N 0.015 108.790 108.800 -0.041 0.000 2.543 78 G HA2 0.350 4.310 3.960 -0.000 0.000 0.290 78 G HA3 0.350 4.310 3.960 -0.000 0.000 0.290 78 G C -0.799 174.116 174.900 0.024 0.000 1.310 78 G CA -0.414 44.688 45.100 0.002 0.000 1.025 78 G HN 0.300 nan 8.290 nan 0.000 0.502 79 E N -1.376 118.844 120.200 0.033 0.000 2.281 79 E HA 0.355 4.705 4.350 -0.000 0.000 0.262 79 E C -0.364 176.257 176.600 0.036 0.000 0.933 79 E CA -0.771 55.651 56.400 0.037 0.000 0.809 79 E CB 2.507 32.232 29.700 0.041 0.000 1.242 79 E HN 0.254 nan 8.360 nan 0.000 0.418 80 I N 2.619 123.209 120.570 0.034 0.000 2.598 80 I HA -0.045 4.125 4.170 -0.000 0.000 0.284 80 I C -0.147 175.997 176.117 0.045 0.000 1.140 80 I CA 0.830 62.152 61.300 0.036 0.000 1.420 80 I CB 0.118 38.135 38.000 0.028 0.000 1.387 80 I HN 0.534 nan 8.210 nan 0.000 0.553 81 D N 3.252 123.685 120.400 0.054 0.000 3.453 81 D HA 0.052 4.692 4.640 -0.000 0.000 0.312 81 D C -0.416 175.937 176.300 0.088 0.000 1.349 81 D CA -0.369 53.670 54.000 0.065 0.000 0.739 81 D CB -0.017 40.819 40.800 0.059 0.000 1.312 81 D HN 0.255 nan 8.370 nan 0.000 0.628 82 S N -0.122 115.634 115.700 0.093 0.000 2.902 82 S HA 0.638 5.108 4.470 -0.000 0.000 0.250 82 S C 0.831 175.500 174.600 0.114 0.000 1.046 82 S CA -0.079 58.195 58.200 0.123 0.000 1.069 82 S CB 0.996 64.271 63.200 0.126 0.000 0.967 82 S HN 0.910 nan 8.310 nan 0.000 0.530 83 G N 1.757 110.613 108.800 0.093 0.000 2.584 83 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.229 83 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.229 83 G C 0.331 175.265 174.900 0.056 0.000 1.320 83 G CA -0.191 44.955 45.100 0.077 0.000 0.891 83 G HN 0.323 nan 8.290 nan 0.000 0.573 84 L N 0.454 121.704 121.223 0.046 0.000 2.291 84 L HA 0.090 4.430 4.340 -0.000 0.000 0.214 84 L C 1.411 178.295 176.870 0.023 0.000 1.120 84 L CA 1.067 55.923 54.840 0.028 0.000 0.799 84 L CB -0.377 41.693 42.059 0.018 0.000 0.925 84 L HN 0.344 nan 8.230 nan 0.000 0.446 85 K N 1.906 122.329 120.400 0.039 0.000 2.250 85 K HA 0.316 4.635 4.320 -0.000 0.000 0.285 85 K C -0.288 176.336 176.600 0.040 0.000 1.097 85 K CA -0.165 56.142 56.287 0.033 0.000 0.913 85 K CB 0.741 33.273 32.500 0.053 0.000 1.179 85 K HN 0.106 nan 8.250 nan 0.000 0.462 86 I N 2.041 122.620 120.570 0.015 0.000 2.598 86 I HA -0.057 4.113 4.170 -0.000 0.000 0.284 86 I C 1.330 177.469 176.117 0.036 0.000 1.140 86 I CA 0.688 62.003 61.300 0.024 0.000 1.420 86 I CB 0.294 38.299 38.000 0.008 0.000 1.387 86 I HN 0.972 nan 8.210 nan 0.000 0.553 87 G N 4.363 113.196 108.800 0.055 0.000 2.160 87 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.251 87 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.251 87 G C 0.302 175.256 174.900 0.089 0.000 1.008 87 G CA 0.114 45.251 45.100 0.062 0.000 0.724 87 G HN 0.969 nan 8.290 nan 0.000 0.514 88 A N -0.493 122.394 122.820 0.111 0.000 2.272 88 A HA 0.640 4.960 4.320 -0.000 0.000 0.275 88 A C 0.554 178.271 177.584 0.221 0.000 1.096 88 A CA -0.371 51.768 52.037 0.171 0.000 0.822 88 A CB 0.327 19.426 19.000 0.164 0.000 1.088 88 A HN 0.603 nan 8.150 nan 0.000 0.495 89 H N 0.609 119.820 119.070 0.235 0.000 2.848 89 H HA 0.100 4.656 4.556 -0.000 0.000 0.317 89 H C 0.752 176.213 175.328 0.221 0.000 1.046 89 H CA 0.643 56.845 56.048 0.257 0.000 1.470 89 H CB 0.810 30.745 29.762 0.288 0.000 1.483 89 H HN 0.669 nan 8.280 nan 0.000 0.548 90 K N 3.577 124.184 120.400 0.345 0.000 2.362 90 K HA -0.130 4.190 4.320 -0.000 0.000 0.200 90 K C 1.708 178.556 176.600 0.415 0.000 1.046 90 K CA 0.751 57.293 56.287 0.426 0.000 0.952 90 K CB 0.317 33.091 32.500 0.456 0.000 0.753 90 K HN 0.433 nan 8.250 nan 0.000 0.466 91 K N 1.186 121.658 120.400 0.121 0.000 2.504 91 K HA -0.027 4.292 4.320 -0.000 0.000 0.195 91 K C 0.416 177.039 176.600 0.039 0.000 1.036 91 K CA 0.569 56.590 56.287 -0.443 0.000 0.984 91 K CB 0.207 31.963 32.500 -1.240 0.000 0.788 91 K HN -0.022 nan 8.250 nan 0.000 0.488 92 N N 1.981 120.824 118.700 0.239 0.000 2.623 92 N HA -0.012 4.728 4.740 -0.000 0.000 0.263 92 N C -0.826 174.982 175.510 0.496 0.000 1.218 92 N CA 0.327 53.586 53.050 0.348 0.000 0.949 92 N CB 0.622 39.343 38.487 0.390 0.000 1.270 92 N HN 0.284 nan 8.380 nan 0.000 0.507 93 T N -4.209 110.607 114.554 0.436 0.000 2.925 93 T HA 0.338 4.687 4.350 -0.000 0.000 0.285 93 T C 1.560 176.492 174.700 0.387 0.000 1.021 93 T CA -0.789 61.524 62.100 0.355 0.000 1.042 93 T CB 1.753 70.776 68.868 0.260 0.000 1.037 93 T HN -0.183 nan 8.240 nan 0.000 0.481 94 V N 1.225 121.300 119.914 0.269 0.000 2.392 94 V HA -0.135 3.984 4.120 -0.000 0.000 0.249 94 V C 2.800 178.984 176.094 0.150 0.000 1.059 94 V CA 2.348 64.791 62.300 0.239 0.000 1.051 94 V CB -1.026 30.850 31.823 0.088 0.000 0.658 94 V HN 1.044 nan 8.190 nan 0.000 0.455 95 E N -0.274 119.953 120.200 0.044 0.000 2.077 95 E HA -0.216 4.133 4.350 -0.000 0.000 0.193 95 E C 2.007 178.559 176.600 -0.080 0.000 0.989 95 E CA 1.657 58.016 56.400 -0.069 0.000 0.800 95 E CB -0.344 29.244 29.700 -0.188 0.000 0.746 95 E HN 0.673 nan 8.360 nan 0.000 0.452 96 Y N 0.688 121.081 120.300 0.156 0.000 2.314 96 Y HA -0.030 4.520 4.550 -0.000 0.000 0.293 96 Y C 2.122 178.079 175.900 0.094 0.000 1.129 96 Y CA 1.253 59.439 58.100 0.144 0.000 1.201 96 Y CB -0.134 38.423 38.460 0.161 0.000 0.999 96 Y HN 0.174 nan 8.280 nan 0.000 0.541 97 Q N -0.410 119.525 119.800 0.224 0.000 2.432 97 Q HA -0.085 4.255 4.340 -0.000 0.000 0.205 97 Q C 1.664 177.744 176.000 0.134 0.000 0.945 97 Q CA 0.648 56.535 55.803 0.141 0.000 0.924 97 Q CB 0.040 28.803 28.738 0.041 0.000 1.016 97 Q HN 0.429 nan 8.270 nan 0.000 0.503 98 K N 0.324 120.802 120.400 0.130 0.000 2.365 98 K HA 0.057 4.376 4.320 -0.000 0.000 0.197 98 K C 0.334 176.991 176.600 0.094 0.000 1.042 98 K CA 0.457 56.801 56.287 0.095 0.000 0.987 98 K CB 0.484 33.026 32.500 0.070 0.000 0.779 98 K HN 0.092 nan 8.250 nan 0.000 0.484 99 N N 1.138 119.915 118.700 0.128 0.000 2.723 99 N HA 0.058 4.798 4.740 -0.000 0.000 0.290 99 N C 0.162 175.816 175.510 0.240 0.000 1.882 99 N CA 0.018 53.157 53.050 0.148 0.000 0.851 99 N CB 1.033 39.588 38.487 0.114 0.000 1.234 99 N HN 0.020 nan 8.380 nan 0.000 0.491 100 I N 0.965 121.659 120.570 0.207 0.000 2.286 100 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 100 I C 1.030 177.288 176.117 0.235 0.000 1.115 100 I CA 1.542 62.974 61.300 0.219 0.000 1.392 100 I CB 0.114 38.199 38.000 0.141 0.000 1.065 100 I HN 0.168 nan 8.210 nan 0.000 0.418 101 D N 0.955 121.483 120.400 0.213 0.000 2.265 101 D HA -0.183 4.457 4.640 -0.000 0.000 0.208 101 D C 1.923 178.322 176.300 0.166 0.000 0.977 101 D CA 0.705 54.823 54.000 0.196 0.000 0.871 101 D CB -0.071 40.870 40.800 0.235 0.000 0.925 101 D HN 0.305 nan 8.370 nan 0.000 0.485 102 K N 0.054 120.591 120.400 0.230 0.000 2.283 102 K HA -0.087 4.233 4.320 -0.000 0.000 0.202 102 K C 1.782 178.495 176.600 0.187 0.000 1.048 102 K CA 0.021 56.453 56.287 0.243 0.000 0.948 102 K CB -0.444 32.266 32.500 0.349 0.000 0.742 102 K HN 0.221 nan 8.250 nan 0.000 0.458 103 F N 1.556 121.500 119.950 -0.010 0.000 2.293 103 F HA -0.166 4.361 4.527 -0.000 0.000 0.300 103 F C 1.903 177.598 175.800 -0.175 0.000 1.086 103 F CA 0.525 58.350 58.000 -0.292 0.000 1.375 103 F CB -0.126 38.678 39.000 -0.326 0.000 1.045 103 F HN -0.295 nan 8.300 nan 0.000 0.516 104 V N 0.541 120.383 119.914 -0.119 0.000 2.370 104 V HA -0.399 3.721 4.120 -0.000 0.000 0.252 104 V C 1.843 177.788 176.094 -0.248 0.000 1.068 104 V CA 2.461 64.651 62.300 -0.183 0.000 1.061 104 V CB -1.014 30.714 31.823 -0.157 0.000 0.656 104 V HN 0.393 nan 8.190 nan 0.000 0.455 105 N N -0.292 118.281 118.700 -0.212 0.000 2.188 105 N HA -0.118 4.621 4.740 -0.000 0.000 0.184 105 N C 1.653 177.012 175.510 -0.251 0.000 1.018 105 N CA 1.217 54.161 53.050 -0.176 0.000 0.858 105 N CB -0.264 38.177 38.487 -0.077 0.000 0.989 105 N HN 0.330 nan 8.380 nan 0.000 0.426 106 V N 1.243 120.892 119.914 -0.441 0.000 2.343 106 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 106 V C 2.033 177.830 176.094 -0.495 0.000 1.051 106 V CA 1.433 63.404 62.300 -0.548 0.000 1.036 106 V CB -0.510 30.678 31.823 -1.058 0.000 0.654 106 V HN 0.306 nan 8.190 nan 0.000 0.451 107 I N -0.384 119.840 120.570 -0.577 0.000 2.142 107 I HA -0.317 3.853 4.170 -0.000 0.000 0.240 107 I C 2.724 178.729 176.117 -0.186 0.000 1.078 107 I CA 1.731 62.838 61.300 -0.323 0.000 1.343 107 I CB -0.415 37.442 38.000 -0.239 0.000 1.046 107 I HN 0.342 nan 8.210 nan 0.000 0.405 108 Q N 0.379 120.071 119.800 -0.180 0.000 2.124 108 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 108 Q C 2.308 178.253 176.000 -0.091 0.000 0.977 108 Q CA 1.566 57.296 55.803 -0.121 0.000 0.850 108 Q CB -0.453 28.212 28.738 -0.122 0.000 0.901 108 Q HN 0.653 nan 8.270 nan 0.000 0.429 109 G N 1.177 109.914 108.800 -0.105 0.000 2.470 109 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 109 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 109 G C 1.129 176.002 174.900 -0.046 0.000 1.121 109 G CA 0.936 45.994 45.100 -0.069 0.000 0.766 109 G HN 0.501 nan 8.290 nan 0.000 0.553 110 Q N -0.850 118.918 119.800 -0.055 0.000 2.189 110 Q HA 0.374 4.713 4.340 -0.000 0.000 0.223 110 Q C 0.266 176.266 176.000 -0.000 0.000 0.828 110 Q CA -0.286 55.505 55.803 -0.019 0.000 0.967 110 Q CB 0.167 28.892 28.738 -0.022 0.000 1.139 110 Q HN 0.260 nan 8.270 nan 0.000 0.497 111 L N 2.197 123.413 121.223 -0.012 0.000 2.261 111 L HA 0.436 4.775 4.340 -0.000 0.000 0.289 111 L C -0.744 176.136 176.870 0.017 0.000 1.059 111 L CA -0.619 54.225 54.840 0.006 0.000 0.816 111 L CB 0.966 43.018 42.059 -0.011 0.000 1.191 111 L HN 0.184 nan 8.230 nan 0.000 0.431 112 M N 2.422 122.049 119.600 0.045 0.000 2.149 112 M HA 0.255 4.734 4.480 -0.000 0.000 0.342 112 M C 0.176 176.509 176.300 0.057 0.000 1.068 112 M CA 0.039 55.372 55.300 0.055 0.000 0.991 112 M CB 1.696 34.350 32.600 0.089 0.000 1.596 112 M HN 0.336 nan 8.290 nan 0.000 0.439 113 S N 1.824 117.546 115.700 0.037 0.000 2.552 113 S HA 0.081 4.551 4.470 -0.000 0.000 0.289 113 S C 1.424 176.055 174.600 0.050 0.000 1.304 113 S CA -0.565 57.655 58.200 0.034 0.000 1.063 113 S CB 0.570 63.779 63.200 0.015 0.000 0.848 113 S HN 0.589 nan 8.310 nan 0.000 0.499 114 V N 2.432 122.387 119.914 0.068 0.000 2.346 114 V HA 0.025 4.144 4.120 -0.000 0.000 0.244 114 V C 1.172 177.264 176.094 -0.003 0.000 1.037 114 V CA 1.343 63.674 62.300 0.052 0.000 1.029 114 V CB 0.110 32.006 31.823 0.123 0.000 0.663 114 V HN 0.783 nan 8.190 nan 0.000 0.454 115 S N -0.531 115.187 115.700 0.029 0.000 2.736 115 S HA 0.549 5.019 4.470 -0.000 0.000 0.285 115 S C -1.164 173.433 174.600 -0.004 0.000 1.163 115 S CA -0.436 57.743 58.200 -0.035 0.000 1.025 115 S CB 1.533 64.674 63.200 -0.097 0.000 1.030 115 S HN -0.007 nan 8.310 nan 0.000 0.486 116 V N 7.999 127.898 119.914 -0.025 0.000 2.378 116 V HA 0.552 4.672 4.120 -0.000 0.000 0.288 116 V C -1.957 174.115 176.094 -0.036 0.000 1.016 116 V CA -1.768 60.517 62.300 -0.024 0.000 0.840 116 V CB 1.619 33.428 31.823 -0.023 0.000 0.994 116 V HN 0.716 nan 8.190 nan 0.000 0.431 117 P HA 0.172 nan 4.420 nan 0.000 0.274 117 P C -0.157 177.114 177.300 -0.048 0.000 1.256 117 P CA -0.132 62.944 63.100 -0.040 0.000 0.795 117 P CB 1.036 32.714 31.700 -0.036 0.000 1.038 118 V N 2.353 122.241 119.914 -0.043 0.000 2.599 118 V HA -0.031 4.089 4.120 -0.000 0.000 0.300 118 V C 1.269 177.307 176.094 -0.093 0.000 1.034 118 V CA 0.176 62.446 62.300 -0.050 0.000 1.115 118 V CB -0.590 31.225 31.823 -0.013 0.000 0.934 118 V HN 0.620 nan 8.190 nan 0.000 0.485 119 N N 3.720 122.354 118.700 -0.109 0.000 2.458 119 N HA 0.083 4.822 4.740 -0.000 0.000 0.270 119 N C 0.602 175.925 175.510 -0.311 0.000 1.102 119 N CA 0.318 53.274 53.050 -0.156 0.000 0.967 119 N CB 1.516 39.941 38.487 -0.103 0.000 1.078 119 N HN 0.848 nan 8.380 nan 0.000 0.471 120 T N 1.049 115.290 114.554 -0.521 0.000 3.228 120 T HA 0.268 4.618 4.350 -0.000 0.000 0.278 120 T C 0.826 174.960 174.700 -0.944 0.000 1.014 120 T CA -0.443 60.874 62.100 -1.305 0.000 0.904 120 T CB -0.433 67.843 68.868 -0.988 0.000 1.110 120 T HN 0.288 nan 8.240 nan 0.000 0.541 121 L N 2.044 123.032 121.223 -0.390 0.000 2.455 121 L HA 0.315 4.655 4.340 -0.000 0.000 0.272 121 L C 0.110 177.014 176.870 0.056 0.000 1.174 121 L CA -0.601 54.158 54.840 -0.135 0.000 0.869 121 L CB 0.789 42.807 42.059 -0.069 0.000 1.130 121 L HN 0.083 nan 8.230 nan 0.000 0.474 122 V N 5.068 125.042 119.914 0.101 0.000 2.432 122 V HA 0.154 4.274 4.120 -0.000 0.000 0.271 122 V C 0.201 176.366 176.094 0.118 0.000 1.046 122 V CA -0.436 61.986 62.300 0.203 0.000 0.945 122 V CB 1.579 33.506 31.823 0.174 0.000 0.992 122 V HN 0.398 nan 8.190 nan 0.000 0.471 123 V N 5.557 125.542 119.914 0.117 0.000 2.311 123 V HA 0.315 4.434 4.120 -0.000 0.000 0.275 123 V C 0.289 176.415 176.094 0.053 0.000 1.022 123 V CA -0.427 61.916 62.300 0.071 0.000 0.830 123 V CB 1.341 33.206 31.823 0.071 0.000 1.012 123 V HN 1.074 nan 8.190 nan 0.000 0.452 124 D N 2.023 122.446 120.400 0.039 0.000 2.462 124 D HA 0.006 4.646 4.640 -0.000 0.000 0.221 124 D C 1.111 177.421 176.300 0.017 0.000 1.173 124 D CA 0.201 54.215 54.000 0.024 0.000 0.831 124 D CB 0.356 41.168 40.800 0.021 0.000 1.001 124 D HN 0.545 nan 8.370 nan 0.000 0.499 125 T N -1.808 112.759 114.554 0.021 0.000 3.228 125 T HA 0.333 4.683 4.350 -0.000 0.000 0.278 125 T C 0.703 175.415 174.700 0.020 0.000 1.014 125 T CA -0.566 61.545 62.100 0.018 0.000 0.904 125 T CB -0.257 68.622 68.868 0.018 0.000 1.110 125 T HN 0.016 nan 8.240 nan 0.000 0.541 126 L N 1.834 123.070 121.223 0.023 0.000 2.482 126 L HA 0.288 4.628 4.340 -0.000 0.000 0.273 126 L C 1.176 178.058 176.870 0.020 0.000 1.228 126 L CA -0.491 54.365 54.840 0.028 0.000 0.827 126 L CB 0.337 42.416 42.059 0.034 0.000 1.099 126 L HN 0.243 nan 8.230 nan 0.000 0.494 127 S N 1.433 117.148 115.700 0.025 0.000 2.568 127 S HA 0.093 4.563 4.470 -0.000 0.000 0.282 127 S C -1.429 173.180 174.600 0.014 0.000 1.338 127 S CA -1.032 57.180 58.200 0.020 0.000 1.045 127 S CB 0.828 64.043 63.200 0.025 0.000 0.873 127 S HN 0.390 nan 8.310 nan 0.000 0.516 128 P HA -0.097 nan 4.420 nan 0.000 0.218 128 P C 1.368 178.671 177.300 0.004 0.000 1.146 128 P CA 1.446 64.545 63.100 -0.002 0.000 0.813 128 P CB -0.185 31.512 31.700 -0.005 0.000 0.778 129 T N -5.391 109.174 114.554 0.018 0.000 3.055 129 T HA 0.063 4.412 4.350 -0.000 0.000 0.265 129 T C 1.019 175.753 174.700 0.056 0.000 1.111 129 T CA 0.177 62.296 62.100 0.031 0.000 1.118 129 T CB -0.604 68.284 68.868 0.033 0.000 0.909 129 T HN -0.091 nan 8.240 nan 0.000 0.501 130 S N 1.429 117.165 115.700 0.061 0.000 2.548 130 S HA 0.306 4.776 4.470 -0.000 0.000 0.277 130 S C -0.565 174.120 174.600 0.143 0.000 1.315 130 S CA -1.017 57.248 58.200 0.109 0.000 1.050 130 S CB 0.195 63.451 63.200 0.095 0.000 0.918 130 S HN 0.595 nan 8.310 nan 0.000 0.497 131 W N 3.137 124.445 121.300 0.013 0.000 2.210 131 W HA 0.222 4.881 4.660 -0.000 0.000 0.330 131 W C 0.198 176.731 176.519 0.024 0.000 1.334 131 W CA 0.239 57.591 57.345 0.012 0.000 1.227 131 W CB 0.293 29.759 29.460 0.011 0.000 1.178 131 W HN 0.490 nan 8.180 nan 0.000 0.560 132 Q N 3.752 123.180 119.800 -0.620 0.000 2.345 132 Q HA 0.539 4.879 4.340 -0.000 0.000 0.275 132 Q C -0.836 174.629 176.000 -0.891 0.000 1.063 132 Q CA -0.949 54.572 55.803 -0.470 0.000 0.819 132 Q CB 2.189 30.764 28.738 -0.271 0.000 1.356 132 Q HN 0.597 nan 8.270 nan 0.000 0.418 133 A N 1.203 123.778 122.820 -0.408 0.000 2.388 133 A HA 0.276 4.595 4.320 -0.000 0.000 0.257 133 A C 0.569 177.988 177.584 -0.276 0.000 1.095 133 A CA 0.002 51.891 52.037 -0.246 0.000 0.791 133 A CB 0.601 19.718 19.000 0.195 0.000 1.029 133 A HN 0.785 nan 8.150 nan 0.000 0.489 134 S N -0.195 115.362 115.700 -0.238 0.000 2.528 134 S HA 0.101 4.570 4.470 -0.000 0.000 0.219 134 S C 0.857 175.340 174.600 -0.196 0.000 0.985 134 S CA 0.921 58.999 58.200 -0.204 0.000 0.914 134 S CB -0.142 62.962 63.200 -0.160 0.000 0.776 134 S HN 1.104 nan 8.310 nan 0.000 0.526 135 T N -1.470 113.001 114.554 -0.139 0.000 2.864 135 T HA 0.617 4.967 4.350 -0.000 0.000 0.299 135 T C -0.902 173.743 174.700 -0.092 0.000 1.166 135 T CA -0.742 61.279 62.100 -0.131 0.000 1.007 135 T CB 0.719 69.615 68.868 0.046 0.000 1.219 135 T HN -0.099 nan 8.240 nan 0.000 0.506 136 F N 3.202 123.223 119.950 0.119 0.000 2.652 136 F HA 0.370 4.897 4.527 -0.000 0.000 0.352 136 F C 0.480 176.308 175.800 0.047 0.000 1.259 136 F CA -1.870 56.154 58.000 0.039 0.000 1.249 136 F CB -1.075 37.925 39.000 0.000 0.000 1.628 136 F HN 0.560 nan 8.300 nan 0.000 0.654 137 F N -0.834 119.212 119.950 0.161 0.000 2.399 137 F HA 0.550 5.077 4.527 -0.000 0.000 0.313 137 F C 0.024 175.894 175.800 0.118 0.000 1.202 137 F CA -1.649 56.425 58.000 0.123 0.000 1.192 137 F CB -0.184 38.879 39.000 0.105 0.000 1.256 137 F HN -0.174 nan 8.300 nan 0.000 0.558 138 V N 2.991 123.034 119.914 0.215 0.000 2.425 138 V HA 0.219 4.339 4.120 -0.000 0.000 0.276 138 V C 0.119 176.225 176.094 0.019 0.000 1.017 138 V CA 0.073 62.422 62.300 0.081 0.000 1.062 138 V CB -1.123 30.774 31.823 0.122 0.000 0.997 138 V HN 0.727 nan 8.190 nan 0.000 0.476 139 R N 3.708 124.115 120.500 -0.156 0.000 2.837 139 R HA 0.519 4.859 4.340 -0.000 0.000 0.271 139 R C 0.236 176.490 176.300 -0.076 0.000 0.993 139 R CA -1.072 54.923 56.100 -0.176 0.000 0.931 139 R CB 0.963 31.021 30.300 -0.404 0.000 1.206 139 R HN 0.570 nan 8.270 nan 0.000 0.474 140 N N 0.310 118.990 118.700 -0.032 0.000 2.725 140 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 140 N C 0.530 176.029 175.510 -0.019 0.000 1.103 140 N CA 1.559 54.595 53.050 -0.025 0.000 0.707 140 N CB -1.177 37.287 38.487 -0.039 0.000 1.043 140 N HN 1.074 nan 8.380 nan 0.000 0.553 141 G N -1.763 107.032 108.800 -0.008 0.000 2.168 141 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.263 141 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.263 141 G C 0.313 175.207 174.900 -0.011 0.000 0.977 141 G CA 1.067 46.164 45.100 -0.004 0.000 0.659 141 G HN 1.360 nan 8.290 nan 0.000 0.533 142 S N -0.565 115.122 115.700 -0.021 0.000 2.576 142 S HA 0.422 4.892 4.470 -0.000 0.000 0.272 142 S C 0.173 174.760 174.600 -0.021 0.000 1.352 142 S CA 0.166 58.349 58.200 -0.028 0.000 1.021 142 S CB 1.658 64.833 63.200 -0.042 0.000 0.887 142 S HN 0.725 nan 8.310 nan 0.000 0.542 143 N N 2.041 120.720 118.700 -0.035 0.000 2.501 143 N HA 0.363 5.102 4.740 -0.000 0.000 0.245 143 N C -1.705 173.785 175.510 -0.033 0.000 0.974 143 N CA -2.557 50.465 53.050 -0.046 0.000 0.941 143 N CB 1.281 39.711 38.487 -0.095 0.000 1.122 143 N HN 0.367 nan 8.380 nan 0.000 0.507 144 P HA -0.039 nan 4.420 nan 0.000 0.234 144 P C 0.274 177.591 177.300 0.029 0.000 1.167 144 P CA 0.775 63.888 63.100 0.022 0.000 0.763 144 P CB 0.573 32.303 31.700 0.049 0.000 0.835 145 E N -0.147 120.053 120.200 -0.000 0.000 2.274 145 E HA -0.093 4.256 4.350 -0.000 0.000 0.194 145 E C 0.918 177.516 176.600 -0.003 0.000 0.996 145 E CA 0.578 56.996 56.400 0.030 0.000 0.840 145 E CB -0.137 29.502 29.700 -0.102 0.000 0.772 145 E HN 0.304 nan 8.360 nan 0.000 0.491 146 Q N 2.295 122.058 119.800 -0.061 0.000 2.307 146 Q HA 0.025 4.365 4.340 -0.000 0.000 0.259 146 Q C -0.812 175.190 176.000 0.003 0.000 0.998 146 Q CA -0.175 55.589 55.803 -0.066 0.000 0.923 146 Q CB 0.718 29.406 28.738 -0.083 0.000 1.196 146 Q HN -0.188 nan 8.270 nan 0.000 0.416 147 D N 6.017 126.440 120.400 0.039 0.000 2.371 147 D HA 0.060 4.700 4.640 -0.000 0.000 0.256 147 D C -1.694 174.620 176.300 0.023 0.000 1.193 147 D CA -1.868 52.158 54.000 0.043 0.000 0.881 147 D CB 1.291 42.132 40.800 0.068 0.000 1.143 147 D HN 0.436 nan 8.370 nan 0.000 0.473 148 P HA -0.073 nan 4.420 nan 0.000 0.226 148 P C 1.166 178.466 177.300 0.000 0.000 1.153 148 P CA 0.669 63.764 63.100 -0.007 0.000 0.777 148 P CB 0.319 32.003 31.700 -0.027 0.000 0.794 149 L N -1.228 120.000 121.223 0.008 0.000 2.607 149 L HA 0.213 4.553 4.340 -0.000 0.000 0.228 149 L C 1.516 178.399 176.870 0.023 0.000 1.123 149 L CA 0.168 55.015 54.840 0.010 0.000 0.890 149 L CB -0.133 41.929 42.059 0.005 0.000 1.103 149 L HN -0.191 nan 8.230 nan 0.000 0.468 150 R N -0.267 120.256 120.500 0.038 0.000 2.661 150 R HA 0.210 4.549 4.340 -0.000 0.000 0.429 150 R C -0.357 175.998 176.300 0.090 0.000 1.044 150 R CA -0.272 55.864 56.100 0.059 0.000 1.065 150 R CB 0.365 30.704 30.300 0.064 0.000 1.377 150 R HN 0.058 nan 8.270 nan 0.000 0.600 151 N N 0.641 119.370 118.700 0.049 0.000 2.477 151 N HA 0.360 5.100 4.740 -0.000 0.000 0.284 151 N C -0.651 174.776 175.510 -0.138 0.000 1.182 151 N CA -0.518 52.547 53.050 0.025 0.000 0.949 151 N CB 1.109 39.605 38.487 0.014 0.000 1.204 151 N HN 0.086 nan 8.380 nan 0.000 0.526 152 L N 2.018 123.016 121.223 -0.375 0.000 2.417 152 L HA 0.219 4.559 4.340 -0.000 0.000 0.258 152 L C 1.383 178.078 176.870 -0.290 0.000 1.088 152 L CA -0.302 54.186 54.840 -0.586 0.000 0.975 152 L CB 0.583 41.893 42.059 -1.249 0.000 1.341 152 L HN 0.625 nan 8.230 nan 0.000 0.431 153 S N -0.153 115.462 115.700 -0.142 0.000 2.447 153 S HA -0.093 4.376 4.470 -0.000 0.000 0.233 153 S C 1.790 176.350 174.600 -0.066 0.000 1.006 153 S CA 0.836 58.998 58.200 -0.064 0.000 0.957 153 S CB -0.098 63.077 63.200 -0.043 0.000 0.773 153 S HN 0.651 nan 8.310 nan 0.000 0.507 154 G N 0.551 109.292 108.800 -0.099 0.000 2.572 154 G HA2 0.063 4.022 3.960 -0.000 0.000 0.216 154 G HA3 0.063 4.022 3.960 -0.000 0.000 0.216 154 G C 0.634 175.489 174.900 -0.076 0.000 1.133 154 G CA -0.223 44.829 45.100 -0.079 0.000 0.791 154 G HN 0.374 nan 8.290 nan 0.000 0.538 155 Q N 0.476 120.209 119.800 -0.112 0.000 2.361 155 Q HA 0.483 4.823 4.340 -0.000 0.000 0.276 155 Q C -0.116 175.900 176.000 0.027 0.000 1.022 155 Q CA 0.368 56.139 55.803 -0.054 0.000 0.898 155 Q CB 1.374 30.062 28.738 -0.083 0.000 1.246 155 Q HN 0.285 nan 8.270 nan 0.000 0.410 156 A N 1.758 124.600 122.820 0.036 0.000 2.609 156 A HA 0.718 5.038 4.320 -0.000 0.000 0.291 156 A C -0.966 176.652 177.584 0.057 0.000 1.096 156 A CA -0.551 51.514 52.037 0.046 0.000 0.684 156 A CB 1.299 20.315 19.000 0.026 0.000 1.282 156 A HN 0.473 nan 8.150 nan 0.000 0.412 157 V N -2.001 117.958 119.914 0.075 0.000 3.046 157 V HA 0.958 5.078 4.120 -0.000 0.000 0.316 157 V C -0.338 175.817 176.094 0.101 0.000 1.104 157 V CA -0.546 61.814 62.300 0.100 0.000 1.006 157 V CB 1.570 33.486 31.823 0.156 0.000 1.058 157 V HN 0.909 nan 8.190 nan 0.000 0.440 158 T N 2.242 116.854 114.554 0.097 0.000 2.863 158 T HA 0.630 4.979 4.350 -0.000 0.000 0.285 158 T C -0.456 174.282 174.700 0.063 0.000 1.009 158 T CA -0.568 61.574 62.100 0.069 0.000 0.989 158 T CB 1.346 70.243 68.868 0.047 0.000 1.004 158 T HN 0.773 nan 8.240 nan 0.000 0.455 159 R N 2.235 122.762 120.500 0.044 0.000 2.415 159 R HA 0.624 4.964 4.340 -0.000 0.000 0.292 159 R C -0.978 175.334 176.300 0.019 0.000 1.295 159 R CA -0.612 55.492 56.100 0.007 0.000 1.137 159 R CB 0.999 31.279 30.300 -0.033 0.000 1.135 159 R HN 0.519 nan 8.270 nan 0.000 0.560 160 V N -1.592 118.332 119.914 0.018 0.000 3.178 160 V HA 0.443 4.563 4.120 -0.000 0.000 0.302 160 V C 0.023 176.130 176.094 0.023 0.000 1.262 160 V CA -1.207 61.108 62.300 0.025 0.000 1.030 160 V CB 1.864 33.705 31.823 0.030 0.000 1.074 160 V HN 0.160 nan 8.190 nan 0.000 0.438 161 V N 2.716 122.648 119.914 0.029 0.000 2.599 161 V HA 0.508 4.628 4.120 -0.000 0.000 0.300 161 V C 1.692 177.807 176.094 0.034 0.000 1.034 161 V CA 1.919 64.239 62.300 0.033 0.000 1.115 161 V CB 0.195 32.040 31.823 0.037 0.000 0.934 161 V HN 2.053 nan 8.190 nan 0.000 0.485 162 G N 3.175 111.993 108.800 0.030 0.000 2.213 162 G HA2 -0.032 3.927 3.960 -0.000 0.000 0.236 162 G HA3 -0.032 3.927 3.960 -0.000 0.000 0.236 162 G C 1.007 175.902 174.900 -0.009 0.000 0.991 162 G CA 0.301 45.412 45.100 0.018 0.000 0.629 162 G HN 2.107 nan 8.290 nan 0.000 0.517 163 G N 0.186 108.988 108.800 0.002 0.000 2.602 163 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.306 163 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.306 163 G C 1.201 176.093 174.900 -0.014 0.000 1.301 163 G CA 1.345 46.444 45.100 -0.001 0.000 0.974 163 G HN 1.097 nan 8.290 nan 0.000 0.547 164 M N 1.467 121.056 119.600 -0.019 0.000 2.557 164 M HA -0.007 4.473 4.480 -0.000 0.000 0.259 164 M C 2.726 178.992 176.300 -0.058 0.000 1.086 164 M CA 1.687 56.986 55.300 -0.001 0.000 1.096 164 M CB -0.200 32.424 32.600 0.040 0.000 1.424 164 M HN 0.711 nan 8.290 nan 0.000 0.488 165 S N -0.343 115.225 115.700 -0.220 0.000 2.555 165 S HA -0.071 4.399 4.470 -0.000 0.000 0.230 165 S C 1.672 176.203 174.600 -0.115 0.000 0.978 165 S CA 1.201 59.125 58.200 -0.460 0.000 0.934 165 S CB -0.906 61.956 63.200 -0.562 0.000 0.766 165 S HN 0.573 nan 8.310 nan 0.000 0.533 166 T N -2.393 112.112 114.554 -0.082 0.000 3.118 166 T HA 0.479 4.829 4.350 -0.000 0.000 0.260 166 T C 1.186 175.729 174.700 -0.262 0.000 1.139 166 T CA 0.525 62.556 62.100 -0.116 0.000 1.085 166 T CB -0.012 68.856 68.868 0.001 0.000 0.934 166 T HN 0.599 nan 8.240 nan 0.000 0.518 167 A N 0.024 122.776 122.820 -0.113 0.000 2.653 167 A HA 0.429 4.748 4.320 -0.000 0.000 0.248 167 A C 0.549 178.345 177.584 0.354 0.000 1.211 167 A CA -0.782 51.343 52.037 0.147 0.000 0.991 167 A CB -0.029 19.044 19.000 0.122 0.000 1.252 167 A HN 0.617 nan 8.150 nan 0.000 0.593 168 W N -0.155 121.169 121.300 0.039 0.000 2.086 168 W HA 0.480 5.140 4.660 -0.000 0.000 0.355 168 W C -0.030 176.591 176.519 0.169 0.000 1.313 168 W CA 0.530 57.951 57.345 0.127 0.000 1.358 168 W CB -0.681 28.833 29.460 0.090 0.000 1.166 168 W HN -0.057 nan 8.180 nan 0.000 0.630 169 T N 0.750 115.243 114.554 -0.102 0.000 3.100 169 T HA 0.022 4.372 4.350 -0.000 0.000 0.253 169 T C 0.960 175.207 174.700 -0.754 0.000 1.118 169 T CA 0.923 62.791 62.100 -0.387 0.000 1.058 169 T CB -0.603 68.201 68.868 -0.108 0.000 0.953 169 T HN 0.645 nan 8.240 nan 0.000 0.515 170 C N 1.143 119.597 119.300 -1.410 0.000 4.465 170 C HA -0.119 4.341 4.460 -0.000 0.000 0.274 170 C C 1.141 175.641 174.990 -0.817 0.000 1.337 170 C CA -0.744 57.236 59.018 -1.729 0.000 1.822 170 C CB -2.861 24.343 27.740 -0.893 0.000 1.357 170 C HN 0.755 nan 8.230 nan 0.000 0.753 171 A N 1.122 123.652 122.820 -0.483 0.000 2.347 171 A HA 0.572 4.891 4.320 -0.000 0.000 0.287 171 A C 0.745 178.228 177.584 -0.169 0.000 1.199 171 A CA 1.009 52.914 52.037 -0.219 0.000 0.851 171 A CB 0.207 19.140 19.000 -0.112 0.000 1.118 171 A HN 1.332 nan 8.150 nan 0.000 0.525 172 T N 1.769 116.247 114.554 -0.127 0.000 3.401 172 T HA 0.531 4.881 4.350 -0.000 0.000 0.341 172 T C -2.734 171.915 174.700 -0.086 0.000 1.674 172 T CA -1.581 60.479 62.100 -0.066 0.000 1.600 172 T CB 0.614 69.478 68.868 -0.007 0.000 0.974 172 T HN 0.448 nan 8.240 nan 0.000 0.672 173 P HA 0.378 nan 4.420 nan 0.000 0.281 173 P C -0.170 176.991 177.300 -0.231 0.000 1.249 173 P CA -0.687 62.308 63.100 -0.175 0.000 0.810 173 P CB 1.143 32.699 31.700 -0.241 0.000 1.008 174 R N 1.031 121.312 120.500 -0.365 0.000 2.594 174 R HA 0.323 4.663 4.340 -0.000 0.000 0.272 174 R C 0.086 176.260 176.300 -0.211 0.000 1.074 174 R CA -0.317 55.371 56.100 -0.686 0.000 1.105 174 R CB 0.096 29.864 30.300 -0.887 0.000 1.008 174 R HN 0.383 nan 8.270 nan 0.000 0.472 175 F N 2.185 121.890 119.950 -0.409 0.000 2.412 175 F HA 0.029 4.555 4.527 -0.000 0.000 0.348 175 F C 1.082 176.686 175.800 -0.327 0.000 1.102 175 F CA -1.450 56.340 58.000 -0.351 0.000 1.196 175 F CB 0.179 38.967 39.000 -0.353 0.000 1.144 175 F HN 0.546 nan 8.300 nan 0.000 0.541 176 D N 2.447 122.768 120.400 -0.132 0.000 2.398 176 D HA 0.103 4.743 4.640 -0.000 0.000 0.247 176 D C 1.059 177.275 176.300 -0.140 0.000 1.227 176 D CA -0.396 53.530 54.000 -0.122 0.000 0.980 176 D CB 0.554 41.302 40.800 -0.087 0.000 1.106 176 D HN 0.474 nan 8.370 nan 0.000 0.493 177 R N -0.446 119.998 120.500 -0.093 0.000 2.091 177 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 177 R C 2.009 178.261 176.300 -0.080 0.000 1.136 177 R CA 1.449 57.503 56.100 -0.078 0.000 0.959 177 R CB -0.218 30.070 30.300 -0.019 0.000 0.856 177 R HN 0.647 nan 8.270 nan 0.000 0.437 178 E N 0.431 120.584 120.200 -0.079 0.000 2.265 178 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 178 E C 1.433 177.943 176.600 -0.150 0.000 0.996 178 E CA 0.966 57.333 56.400 -0.056 0.000 0.832 178 E CB 0.243 29.960 29.700 0.028 0.000 0.756 178 E HN 0.410 nan 8.360 nan 0.000 0.491 179 Q N -0.643 118.977 119.800 -0.300 0.000 2.352 179 Q HA 0.125 4.465 4.340 -0.000 0.000 0.212 179 Q C 0.379 176.284 176.000 -0.159 0.000 0.888 179 Q CA -0.138 55.407 55.803 -0.430 0.000 0.934 179 Q CB 0.806 28.993 28.738 -0.920 0.000 1.093 179 Q HN -0.073 nan 8.270 nan 0.000 0.523 180 R N 2.078 122.524 120.500 -0.090 0.000 2.407 180 R HA 0.303 4.643 4.340 -0.000 0.000 0.303 180 R C -2.541 173.738 176.300 -0.035 0.000 0.981 180 R CA -2.063 53.978 56.100 -0.099 0.000 0.905 180 R CB 0.990 31.050 30.300 -0.400 0.000 1.099 180 R HN -0.122 nan 8.270 nan 0.000 0.459 181 P HA 0.050 nan 4.420 nan 0.000 0.275 181 P C -0.556 176.903 177.300 0.266 0.000 1.228 181 P CA -0.107 63.076 63.100 0.139 0.000 0.786 181 P CB 0.712 32.501 31.700 0.149 0.000 0.927 182 L N 2.998 124.340 121.223 0.198 0.000 2.380 182 L HA 0.146 4.486 4.340 -0.000 0.000 0.273 182 L C 1.661 178.677 176.870 0.243 0.000 1.138 182 L CA -0.180 54.848 54.840 0.313 0.000 0.832 182 L CB 0.321 42.610 42.059 0.383 0.000 1.124 182 L HN 0.373 nan 8.230 nan 0.000 0.454 183 L N 3.715 125.123 121.223 0.309 0.000 2.609 183 L HA 0.206 4.546 4.340 -0.000 0.000 0.230 183 L C -0.251 176.802 176.870 0.306 0.000 1.087 183 L CA 0.163 55.075 54.840 0.120 0.000 0.874 183 L CB 0.691 42.609 42.059 -0.234 0.000 1.114 183 L HN 0.320 nan 8.230 nan 0.000 0.488 184 V N 0.988 121.101 119.914 0.331 0.000 2.577 184 V HA 0.225 4.345 4.120 -0.000 0.000 0.303 184 V C -0.352 175.842 176.094 0.166 0.000 1.042 184 V CA -1.071 61.355 62.300 0.210 0.000 0.872 184 V CB 1.876 33.763 31.823 0.107 0.000 0.998 184 V HN 0.172 nan 8.190 nan 0.000 0.423 185 K N 2.157 122.509 120.400 -0.080 0.000 2.154 185 K HA 0.406 4.726 4.320 -0.000 0.000 0.264 185 K C -0.339 176.230 176.600 -0.052 0.000 1.008 185 K CA -0.492 55.710 56.287 -0.142 0.000 0.937 185 K CB 0.564 32.778 32.500 -0.478 0.000 1.002 185 K HN 0.599 nan 8.250 nan 0.000 0.469 186 D N 0.945 121.338 120.400 -0.010 0.000 2.701 186 D HA -0.170 4.470 4.640 -0.000 0.000 0.235 186 D C -0.826 175.481 176.300 0.011 0.000 1.155 186 D CA 1.484 55.484 54.000 -0.001 0.000 0.649 186 D CB -0.768 40.016 40.800 -0.026 0.000 1.050 186 D HN 0.778 nan 8.370 nan 0.000 0.425 187 D N -1.664 118.756 120.400 0.034 0.000 2.914 187 D HA 0.306 4.945 4.640 -0.000 0.000 0.236 187 D C 0.973 177.310 176.300 0.063 0.000 1.405 187 D CA 0.234 54.257 54.000 0.039 0.000 0.900 187 D CB 0.111 40.928 40.800 0.028 0.000 1.518 187 D HN 0.009 nan 8.370 nan 0.000 0.548 188 A N 1.860 124.718 122.820 0.064 0.000 1.948 188 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 188 A C 1.643 179.276 177.584 0.082 0.000 1.177 188 A CA 1.621 53.705 52.037 0.078 0.000 0.636 188 A CB -0.010 19.028 19.000 0.062 0.000 0.815 188 A HN 0.431 nan 8.150 nan 0.000 0.449 189 D N -0.355 120.083 120.400 0.064 0.000 2.149 189 D HA 0.065 4.705 4.640 -0.000 0.000 0.201 189 D C 2.225 178.566 176.300 0.067 0.000 0.972 189 D CA 1.306 55.343 54.000 0.061 0.000 0.835 189 D CB -0.374 40.453 40.800 0.045 0.000 0.966 189 D HN 0.429 nan 8.370 nan 0.000 0.476 190 A N 0.869 123.725 122.820 0.061 0.000 1.898 190 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 190 A C 1.958 179.587 177.584 0.076 0.000 1.181 190 A CA 1.849 53.919 52.037 0.054 0.000 0.620 190 A CB -0.583 18.441 19.000 0.040 0.000 0.819 190 A HN 0.135 nan 8.150 nan 0.000 0.442 191 D N -0.090 120.378 120.400 0.114 0.000 2.092 191 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 191 D C 1.323 177.777 176.300 0.257 0.000 0.994 191 D CA 1.754 55.867 54.000 0.188 0.000 0.828 191 D CB -0.180 40.758 40.800 0.230 0.000 0.963 191 D HN 0.343 nan 8.370 nan 0.000 0.450 192 D N -0.571 119.954 120.400 0.208 0.000 2.123 192 D HA -0.117 4.523 4.640 -0.000 0.000 0.196 192 D C 1.932 178.343 176.300 0.185 0.000 0.992 192 D CA 1.502 55.627 54.000 0.209 0.000 0.833 192 D CB -0.527 40.351 40.800 0.131 0.000 0.954 192 D HN 0.326 nan 8.370 nan 0.000 0.455 193 A N 0.447 123.337 122.820 0.116 0.000 1.930 193 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 193 A C 2.123 179.740 177.584 0.056 0.000 1.175 193 A CA 1.833 53.917 52.037 0.078 0.000 0.627 193 A CB -0.495 18.532 19.000 0.045 0.000 0.815 193 A HN 0.196 nan 8.150 nan 0.000 0.443 194 E N -0.861 119.353 120.200 0.023 0.000 2.047 194 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 194 E C 1.687 178.201 176.600 -0.144 0.000 0.987 194 E CA 1.529 57.870 56.400 -0.099 0.000 0.799 194 E CB -0.476 29.121 29.700 -0.171 0.000 0.752 194 E HN 0.715 nan 8.360 nan 0.000 0.449 195 W N 0.785 122.057 121.300 -0.047 0.000 2.363 195 W HA -0.103 4.557 4.660 -0.000 0.000 0.296 195 W C 2.129 178.654 176.519 0.010 0.000 1.212 195 W CA 1.218 58.505 57.345 -0.098 0.000 1.260 195 W CB -0.362 29.088 29.460 -0.017 0.000 1.131 195 W HN 0.262 nan 8.180 nan 0.000 0.530 196 D N 0.116 120.698 120.400 0.303 0.000 2.104 196 D HA -0.248 4.392 4.640 -0.000 0.000 0.194 196 D C 2.182 178.560 176.300 0.130 0.000 0.994 196 D CA 1.734 55.870 54.000 0.228 0.000 0.830 196 D CB -0.203 40.682 40.800 0.143 0.000 0.959 196 D HN -0.002 nan 8.370 nan 0.000 0.452 197 R N -0.193 120.332 120.500 0.042 0.000 2.075 197 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 197 R C 2.428 178.689 176.300 -0.066 0.000 1.126 197 R CA 1.043 57.132 56.100 -0.020 0.000 0.963 197 R CB -0.330 29.938 30.300 -0.052 0.000 0.858 197 R HN 0.267 nan 8.270 nan 0.000 0.435 198 L N -0.276 120.872 121.223 -0.125 0.000 1.994 198 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 198 L C 2.429 179.231 176.870 -0.114 0.000 1.071 198 L CA 1.319 56.032 54.840 -0.212 0.000 0.745 198 L CB -0.759 41.063 42.059 -0.395 0.000 0.892 198 L HN 0.171 nan 8.230 nan 0.000 0.431 199 Y N 0.424 120.733 120.300 0.015 0.000 2.207 199 Y HA -0.250 4.300 4.550 -0.000 0.000 0.287 199 Y C 2.891 178.773 175.900 -0.030 0.000 1.156 199 Y CA 1.604 59.718 58.100 0.023 0.000 1.182 199 Y CB -1.165 37.339 38.460 0.073 0.000 0.979 199 Y HN 0.150 nan 8.280 nan 0.000 0.521 200 T N -0.473 114.153 114.554 0.121 0.000 2.777 200 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 200 T C 1.987 176.653 174.700 -0.057 0.000 1.040 200 T CA 1.576 63.699 62.100 0.037 0.000 1.141 200 T CB -0.127 68.755 68.868 0.023 0.000 0.868 200 T HN 0.238 nan 8.240 nan 0.000 0.444 201 K N 0.870 121.180 120.400 -0.150 0.000 2.025 201 K HA 0.029 4.348 4.320 -0.000 0.000 0.207 201 K C 2.541 178.815 176.600 -0.543 0.000 1.049 201 K CA 1.079 57.145 56.287 -0.368 0.000 0.933 201 K CB -0.298 31.950 32.500 -0.421 0.000 0.714 201 K HN 0.247 nan 8.250 nan 0.000 0.438 202 A N 1.407 124.031 122.820 -0.328 0.000 1.908 202 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 202 A C 1.845 179.440 177.584 0.020 0.000 1.181 202 A CA 1.908 53.829 52.037 -0.194 0.000 0.627 202 A CB -0.570 18.433 19.000 0.006 0.000 0.818 202 A HN 0.482 nan 8.150 nan 0.000 0.445 203 E N 0.181 120.432 120.200 0.086 0.000 2.118 203 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 203 E C 2.385 179.066 176.600 0.134 0.000 0.992 203 E CA 1.532 58.024 56.400 0.153 0.000 0.804 203 E CB -0.199 29.563 29.700 0.103 0.000 0.741 203 E HN 0.837 nan 8.360 nan 0.000 0.458 204 S N 0.155 115.877 115.700 0.037 0.000 2.368 204 S HA -0.180 4.290 4.470 -0.000 0.000 0.224 204 S C 1.930 176.658 174.600 0.213 0.000 1.029 204 S CA 0.745 58.995 58.200 0.084 0.000 0.988 204 S CB -0.485 62.736 63.200 0.035 0.000 0.838 204 S HN 0.203 nan 8.310 nan 0.000 0.462 205 Y N 0.720 121.035 120.300 0.024 0.000 2.181 205 Y HA 0.107 4.657 4.550 -0.000 0.000 0.288 205 Y C 2.061 177.988 175.900 0.045 0.000 1.146 205 Y CA -0.106 57.973 58.100 -0.035 0.000 1.164 205 Y CB -1.103 37.248 38.460 -0.181 0.000 0.982 205 Y HN 0.293 nan 8.280 nan 0.000 0.515 206 F N 0.151 120.261 119.950 0.266 0.000 2.710 206 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 206 F C 0.838 176.758 175.800 0.200 0.000 1.137 206 F CA 0.245 58.395 58.000 0.250 0.000 1.444 206 F CB -0.310 38.859 39.000 0.281 0.000 1.111 206 F HN -0.013 nan 8.300 nan 0.000 0.580 207 Q N 0.564 120.560 119.800 0.326 0.000 2.463 207 Q HA -0.189 4.151 4.340 -0.000 0.000 0.299 207 Q C 0.039 176.133 176.000 0.158 0.000 1.353 207 Q CA 0.729 56.651 55.803 0.197 0.000 0.828 207 Q CB -2.614 26.217 28.738 0.156 0.000 1.157 207 Q HN 0.210 nan 8.270 nan 0.000 0.436 208 T N -0.090 114.568 114.554 0.174 0.000 2.916 208 T HA 0.493 4.842 4.350 -0.000 0.000 0.303 208 T C 0.761 175.497 174.700 0.061 0.000 1.025 208 T CA 0.535 62.702 62.100 0.110 0.000 1.142 208 T CB 1.377 70.317 68.868 0.121 0.000 0.947 208 T HN 0.493 nan 8.240 nan 0.000 0.544 209 G N 0.577 109.398 108.800 0.034 0.000 2.684 209 G HA2 0.544 4.504 3.960 -0.000 0.000 0.290 209 G HA3 0.544 4.504 3.960 -0.000 0.000 0.290 209 G C -0.050 174.862 174.900 0.021 0.000 1.425 209 G CA -0.676 44.434 45.100 0.017 0.000 0.822 209 G HN 0.624 nan 8.290 nan 0.000 0.482 210 T N -2.202 112.364 114.554 0.021 0.000 3.339 210 T HA 0.290 4.640 4.350 -0.000 0.000 0.292 210 T C 0.061 174.783 174.700 0.037 0.000 1.012 210 T CA 0.386 62.511 62.100 0.040 0.000 0.937 210 T CB 0.361 69.257 68.868 0.047 0.000 1.164 210 T HN 0.520 nan 8.240 nan 0.000 0.509 211 D N 0.217 120.618 120.400 0.001 0.000 2.520 211 D HA 0.038 4.677 4.640 -0.000 0.000 0.223 211 D C 1.308 177.544 176.300 -0.106 0.000 1.186 211 D CA -0.062 53.918 54.000 -0.033 0.000 0.821 211 D CB -0.075 40.697 40.800 -0.045 0.000 1.072 211 D HN 0.265 nan 8.370 nan 0.000 0.518 212 Q N -0.338 119.387 119.800 -0.124 0.000 2.364 212 Q HA 0.126 4.465 4.340 -0.000 0.000 0.207 212 Q C 0.299 175.902 176.000 -0.662 0.000 0.970 212 Q CA 0.931 56.516 55.803 -0.364 0.000 0.888 212 Q CB -0.272 28.216 28.738 -0.417 0.000 0.951 212 Q HN 0.293 nan 8.270 nan 0.000 0.469 213 F N -0.161 119.626 119.950 -0.272 0.000 2.735 213 F HA 0.227 4.754 4.527 -0.000 0.000 0.304 213 F C 1.151 176.761 175.800 -0.317 0.000 1.119 213 F CA -0.531 57.266 58.000 -0.339 0.000 1.280 213 F CB 0.409 39.117 39.000 -0.486 0.000 0.994 213 F HN -0.004 nan 8.300 nan 0.000 0.520 214 K N 0.141 120.461 120.400 -0.134 0.000 2.283 214 K HA -0.087 4.232 4.320 -0.000 0.000 0.202 214 K C 0.842 177.370 176.600 -0.121 0.000 1.048 214 K CA 1.505 57.766 56.287 -0.043 0.000 0.948 214 K CB -0.117 32.338 32.500 -0.076 0.000 0.742 214 K HN 0.304 nan 8.250 nan 0.000 0.458 215 E N 1.697 121.713 120.200 -0.307 0.000 2.496 215 E HA 0.060 4.410 4.350 -0.000 0.000 0.200 215 E C -0.828 175.617 176.600 -0.258 0.000 1.016 215 E CA -0.366 55.624 56.400 -0.683 0.000 0.962 215 E CB 0.931 30.127 29.700 -0.839 0.000 1.071 215 E HN 0.225 nan 8.360 nan 0.000 0.457 216 S N 0.339 116.054 115.700 0.025 0.000 2.523 216 S HA 0.183 4.653 4.470 -0.000 0.000 0.275 216 S C 1.220 175.932 174.600 0.187 0.000 1.281 216 S CA -0.484 57.790 58.200 0.123 0.000 1.050 216 S CB 0.545 63.864 63.200 0.199 0.000 0.937 216 S HN 0.247 nan 8.310 nan 0.000 0.492 217 I N 4.633 125.198 120.570 -0.008 0.000 2.179 217 I HA -0.155 4.014 4.170 -0.000 0.000 0.242 217 I C 2.764 178.730 176.117 -0.252 0.000 1.088 217 I CA 1.128 62.179 61.300 -0.416 0.000 1.357 217 I CB -0.234 37.274 38.000 -0.821 0.000 1.051 217 I HN 0.702 nan 8.210 nan 0.000 0.409 218 R N -0.431 120.005 120.500 -0.106 0.000 2.081 218 R HA -0.234 4.106 4.340 -0.000 0.000 0.235 218 R C 2.385 178.723 176.300 0.062 0.000 1.131 218 R CA 1.782 57.863 56.100 -0.031 0.000 0.960 218 R CB -0.608 29.684 30.300 -0.013 0.000 0.856 218 R HN 0.429 nan 8.270 nan 0.000 0.436 219 H N 1.043 120.135 119.070 0.037 0.000 2.293 219 H HA -0.039 4.517 4.556 -0.000 0.000 0.300 219 H C 1.755 177.155 175.328 0.120 0.000 1.082 219 H CA 1.851 57.941 56.048 0.069 0.000 1.308 219 H CB -0.112 29.719 29.762 0.116 0.000 1.375 219 H HN 0.117 nan 8.280 nan 0.000 0.495 220 N N 0.085 118.894 118.700 0.182 0.000 2.309 220 N HA -0.123 4.617 4.740 -0.000 0.000 0.182 220 N C 2.003 177.652 175.510 0.231 0.000 1.018 220 N CA 1.001 54.191 53.050 0.234 0.000 0.876 220 N CB -0.141 38.691 38.487 0.576 0.000 0.972 220 N HN 0.339 nan 8.380 nan 0.000 0.434 221 L N 0.992 122.352 121.223 0.228 0.000 2.027 221 L HA -0.081 4.258 4.340 -0.000 0.000 0.206 221 L C 2.094 179.018 176.870 0.091 0.000 1.074 221 L CA 1.294 56.274 54.840 0.234 0.000 0.745 221 L CB -0.439 41.710 42.059 0.151 0.000 0.898 221 L HN -0.150 nan 8.230 nan 0.000 0.433 222 V N -0.640 119.281 119.914 0.012 0.000 2.323 222 V HA -0.214 3.906 4.120 -0.000 0.000 0.244 222 V C 2.422 178.445 176.094 -0.118 0.000 1.041 222 V CA 1.521 63.795 62.300 -0.043 0.000 1.025 222 V CB -0.608 31.169 31.823 -0.077 0.000 0.656 222 V HN 0.513 nan 8.190 nan 0.000 0.451 223 L N 1.128 122.245 121.223 -0.176 0.000 2.012 223 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 223 L C 2.154 178.957 176.870 -0.111 0.000 1.073 223 L CA 2.102 56.825 54.840 -0.194 0.000 0.748 223 L CB -1.023 40.861 42.059 -0.290 0.000 0.891 223 L HN 0.308 nan 8.230 nan 0.000 0.431 224 N N -0.078 118.602 118.700 -0.033 0.000 2.166 224 N HA -0.200 4.539 4.740 -0.000 0.000 0.186 224 N C 1.829 177.322 175.510 -0.029 0.000 1.019 224 N CA 1.355 54.405 53.050 -0.001 0.000 0.856 224 N CB -0.310 38.204 38.487 0.045 0.000 0.993 224 N HN 0.330 nan 8.380 nan 0.000 0.426 225 K N 1.314 121.693 120.400 -0.035 0.000 2.025 225 K HA 0.072 4.392 4.320 -0.000 0.000 0.207 225 K C 1.911 178.462 176.600 -0.081 0.000 1.049 225 K CA 0.896 57.162 56.287 -0.035 0.000 0.933 225 K CB -0.395 32.102 32.500 -0.006 0.000 0.714 225 K HN 0.114 nan 8.250 nan 0.000 0.438 226 L N 0.074 121.174 121.223 -0.205 0.000 2.093 226 L HA -0.130 4.209 4.340 -0.000 0.000 0.208 226 L C 2.230 178.910 176.870 -0.317 0.000 1.085 226 L CA 1.502 56.096 54.840 -0.411 0.000 0.755 226 L CB -0.790 40.567 42.059 -1.171 0.000 0.904 226 L HN 0.242 nan 8.230 nan 0.000 0.435 227 T N -0.602 113.825 114.554 -0.212 0.000 2.635 227 T HA -0.286 4.064 4.350 -0.000 0.000 0.267 227 T C 1.770 176.526 174.700 0.092 0.000 1.040 227 T CA 1.860 63.998 62.100 0.064 0.000 1.156 227 T CB -0.165 68.744 68.868 0.069 0.000 0.863 227 T HN 0.385 nan 8.240 nan 0.000 0.430 228 E N 0.565 120.782 120.200 0.027 0.000 2.038 228 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 228 E C 2.270 178.876 176.600 0.010 0.000 1.000 228 E CA 1.167 57.576 56.400 0.016 0.000 0.803 228 E CB 0.012 29.704 29.700 -0.013 0.000 0.750 228 E HN 0.391 nan 8.360 nan 0.000 0.448 229 E N -0.469 119.724 120.200 -0.012 0.000 2.160 229 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 229 E C 1.075 177.550 176.600 -0.209 0.000 0.991 229 E CA 1.071 57.395 56.400 -0.126 0.000 0.810 229 E CB -0.079 29.510 29.700 -0.186 0.000 0.742 229 E HN 0.489 nan 8.360 nan 0.000 0.466 230 Y N 0.356 120.699 120.300 0.071 0.000 2.681 230 Y HA 0.181 4.730 4.550 -0.000 0.000 0.267 230 Y C 0.549 176.515 175.900 0.111 0.000 1.166 230 Y CA -0.398 57.782 58.100 0.132 0.000 1.209 230 Y CB 0.424 39.062 38.460 0.297 0.000 1.161 230 Y HN -0.313 nan 8.280 nan 0.000 0.534 231 K N 0.665 121.161 120.400 0.160 0.000 2.491 231 K HA 0.022 4.342 4.320 -0.000 0.000 0.279 231 K C 1.170 177.830 176.600 0.100 0.000 1.026 231 K CA 1.391 57.747 56.287 0.116 0.000 1.070 231 K CB 0.129 32.664 32.500 0.058 0.000 0.887 231 K HN 0.693 nan 8.250 nan 0.000 0.481 232 G N 3.029 111.887 108.800 0.098 0.000 2.184 232 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.264 232 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.264 232 G C 0.648 175.602 174.900 0.090 0.000 0.975 232 G CA 0.830 45.976 45.100 0.077 0.000 0.642 232 G HN 0.721 nan 8.290 nan 0.000 0.536 233 Q N -1.547 118.334 119.800 0.135 0.000 2.577 233 Q HA 0.270 4.610 4.340 -0.000 0.000 0.242 233 Q C 1.090 177.171 176.000 0.135 0.000 0.818 233 Q CA 0.117 56.008 55.803 0.147 0.000 0.962 233 Q CB 0.970 29.830 28.738 0.203 0.000 1.272 233 Q HN 0.488 nan 8.270 nan 0.000 0.593 234 R N 0.529 121.119 120.500 0.149 0.000 2.740 234 R HA 0.406 4.746 4.340 -0.000 0.000 0.273 234 R C -1.587 174.716 176.300 0.005 0.000 0.998 234 R CA -0.740 55.348 56.100 -0.020 0.000 0.900 234 R CB 1.711 31.790 30.300 -0.368 0.000 1.223 234 R HN -0.037 nan 8.270 nan 0.000 0.466 235 D N 1.313 121.648 120.400 -0.107 0.000 2.181 235 D HA 0.402 5.042 4.640 -0.000 0.000 0.248 235 D C -0.734 175.404 176.300 -0.270 0.000 1.020 235 D CA 0.052 54.028 54.000 -0.040 0.000 0.891 235 D CB 1.312 42.105 40.800 -0.012 0.000 1.187 235 D HN 0.142 nan 8.370 nan 0.000 0.443 236 F N 0.530 120.480 119.950 0.000 0.000 2.546 236 F HA 0.375 4.901 4.527 -0.000 0.000 0.320 236 F C 0.561 176.368 175.800 0.013 0.000 1.076 236 F CA -0.587 57.406 58.000 -0.012 0.000 0.928 236 F CB 1.876 40.864 39.000 -0.021 0.000 1.189 236 F HN 0.213 nan 8.300 nan 0.000 0.465 237 Q N 0.045 119.957 119.800 0.186 0.000 2.737 237 Q HA 0.325 4.665 4.340 -0.000 0.000 0.307 237 Q C -1.569 174.538 176.000 0.178 0.000 0.905 237 Q CA -1.305 54.588 55.803 0.151 0.000 0.753 237 Q CB 1.702 30.496 28.738 0.092 0.000 1.463 237 Q HN 0.597 nan 8.270 nan 0.000 0.455 238 Q N 1.009 120.937 119.800 0.214 0.000 2.311 238 Q HA 0.199 4.539 4.340 -0.000 0.000 0.272 238 Q C -0.469 175.599 176.000 0.114 0.000 1.012 238 Q CA -0.124 55.819 55.803 0.234 0.000 0.891 238 Q CB 0.449 29.306 28.738 0.198 0.000 1.201 238 Q HN 0.558 nan 8.270 nan 0.000 0.391 239 I N 6.944 127.559 120.570 0.076 0.000 2.906 239 I HA -0.125 4.045 4.170 -0.000 0.000 0.302 239 I C -1.988 174.146 176.117 0.029 0.000 1.220 239 I CA -1.024 60.295 61.300 0.030 0.000 1.441 239 I CB 0.082 38.065 38.000 -0.028 0.000 1.336 239 I HN 0.452 nan 8.210 nan 0.000 0.565 240 P HA 0.230 nan 4.420 nan 0.000 0.271 240 P C -0.937 176.357 177.300 -0.011 0.000 1.233 240 P CA 0.129 63.232 63.100 0.005 0.000 0.764 240 P CB 0.478 32.166 31.700 -0.020 0.000 0.825 241 L N 2.546 123.778 121.223 0.014 0.000 2.365 241 L HA 0.632 4.972 4.340 -0.000 0.000 0.273 241 L C 0.266 177.140 176.870 0.008 0.000 1.000 241 L CA -1.148 53.703 54.840 0.019 0.000 0.819 241 L CB 2.078 44.225 42.059 0.148 0.000 1.284 241 L HN 0.259 nan 8.230 nan 0.000 0.418 242 A N 3.305 126.094 122.820 -0.052 0.000 2.539 242 A HA 0.757 5.077 4.320 -0.000 0.000 0.306 242 A C 0.011 177.640 177.584 0.075 0.000 1.392 242 A CA 0.119 52.175 52.037 0.032 0.000 1.060 242 A CB -0.264 18.723 19.000 -0.022 0.000 1.134 242 A HN 0.819 nan 8.150 nan 0.000 0.542 243 A N 2.078 124.902 122.820 0.006 0.000 2.586 243 A HA 0.693 5.012 4.320 -0.000 0.000 0.296 243 A C -0.534 176.932 177.584 -0.196 0.000 1.040 243 A CA -0.455 51.472 52.037 -0.183 0.000 0.701 243 A CB 0.603 19.297 19.000 -0.509 0.000 1.277 243 A HN 0.730 nan 8.150 nan 0.000 0.413 244 T N 1.499 115.904 114.554 -0.248 0.000 2.879 244 T HA 0.514 4.863 4.350 -0.000 0.000 0.290 244 T C -0.077 174.460 174.700 -0.271 0.000 0.993 244 T CA -0.460 61.522 62.100 -0.198 0.000 0.975 244 T CB 1.339 70.154 68.868 -0.089 0.000 0.981 244 T HN 0.748 nan 8.240 nan 0.000 0.439 245 R N 2.044 122.370 120.500 -0.289 0.000 2.438 245 R HA 0.312 4.652 4.340 -0.000 0.000 0.287 245 R C 0.596 176.805 176.300 -0.151 0.000 1.077 245 R CA -0.417 55.505 56.100 -0.296 0.000 1.034 245 R CB 0.411 30.492 30.300 -0.365 0.000 0.993 245 R HN 0.388 nan 8.270 nan 0.000 0.459 246 R N 0.828 121.290 120.500 -0.064 0.000 2.287 246 R HA 0.155 4.494 4.340 -0.000 0.000 0.197 246 R C 0.074 176.364 176.300 -0.018 0.000 0.900 246 R CA 0.637 56.736 56.100 -0.001 0.000 1.052 246 R CB 0.393 30.755 30.300 0.104 0.000 1.117 246 R HN 0.768 nan 8.270 nan 0.000 0.568 247 S N -1.396 114.298 115.700 -0.009 0.000 2.611 247 S HA 0.393 4.863 4.470 -0.000 0.000 0.268 247 S C -2.642 171.927 174.600 -0.052 0.000 1.156 247 S CA -1.030 57.157 58.200 -0.022 0.000 0.817 247 S CB 2.166 65.374 63.200 0.013 0.000 1.122 247 S HN -0.246 nan 8.310 nan 0.000 0.466 248 P HA 0.038 nan 4.420 nan 0.000 0.225 248 P C 0.998 178.269 177.300 -0.048 0.000 1.148 248 P CA 1.587 64.644 63.100 -0.072 0.000 0.779 248 P CB -0.172 31.504 31.700 -0.040 0.000 0.780 249 T N -6.817 107.741 114.554 0.007 0.000 3.091 249 T HA 0.278 4.628 4.350 -0.000 0.000 0.277 249 T C -0.192 174.566 174.700 0.097 0.000 0.996 249 T CA -0.321 61.805 62.100 0.044 0.000 0.897 249 T CB -0.515 68.399 68.868 0.076 0.000 1.109 249 T HN -0.124 nan 8.240 nan 0.000 0.534 250 F N 1.627 121.515 119.950 -0.103 0.000 2.562 250 F HA 0.655 5.182 4.527 -0.000 0.000 0.319 250 F C -1.472 174.194 175.800 -0.224 0.000 1.154 250 F CA -1.110 56.822 58.000 -0.113 0.000 0.931 250 F CB 2.000 40.952 39.000 -0.080 0.000 1.198 250 F HN -0.132 nan 8.300 nan 0.000 0.444 251 V N 5.313 124.751 119.914 -0.793 0.000 2.409 251 V HA 0.247 4.366 4.120 -0.000 0.000 0.291 251 V C -0.277 175.208 176.094 -1.014 0.000 1.020 251 V CA -0.842 60.946 62.300 -0.855 0.000 0.848 251 V CB 1.575 32.736 31.823 -1.103 0.000 0.990 251 V HN 0.721 nan 8.190 nan 0.000 0.430 252 E N 4.761 124.677 120.200 -0.473 0.000 2.003 252 E HA 0.108 4.458 4.350 -0.000 0.000 0.279 252 E C -0.946 175.457 176.600 -0.327 0.000 1.132 252 E CA -0.501 55.780 56.400 -0.198 0.000 0.888 252 E CB 0.365 30.123 29.700 0.096 0.000 1.056 252 E HN 0.623 nan 8.360 nan 0.000 0.399 253 W N 2.950 124.144 121.300 -0.176 0.000 2.190 253 W HA 0.103 4.763 4.660 -0.000 0.000 0.330 253 W C 0.655 177.211 176.519 0.061 0.000 1.299 253 W CA -0.527 56.699 57.345 -0.199 0.000 1.215 253 W CB 0.846 29.938 29.460 -0.613 0.000 1.147 253 W HN 0.322 nan 8.180 nan 0.000 0.563 254 S N 1.512 117.445 115.700 0.388 0.000 2.645 254 S HA 0.635 5.105 4.470 -0.000 0.000 0.266 254 S C 0.137 175.196 174.600 0.766 0.000 1.258 254 S CA -0.599 57.897 58.200 0.494 0.000 0.990 254 S CB 1.211 64.711 63.200 0.501 0.000 0.967 254 S HN 0.518 nan 8.310 nan 0.000 0.556 255 S N -0.440 115.641 115.700 0.635 0.000 2.724 255 S HA 0.693 5.163 4.470 -0.000 0.000 0.278 255 S C 0.872 175.670 174.600 0.330 0.000 1.190 255 S CA -0.325 58.191 58.200 0.527 0.000 0.860 255 S CB 0.433 63.868 63.200 0.392 0.000 1.206 255 S HN 0.734 nan 8.310 nan 0.000 0.507 256 A N 1.752 124.660 122.820 0.148 0.000 1.915 256 A HA -0.235 4.084 4.320 -0.000 0.000 0.220 256 A C 2.020 179.653 177.584 0.083 0.000 1.198 256 A CA 2.350 54.432 52.037 0.074 0.000 0.647 256 A CB -1.706 17.312 19.000 0.031 0.000 0.825 256 A HN 0.872 nan 8.150 nan 0.000 0.456 257 N N -0.743 118.015 118.700 0.096 0.000 2.149 257 N HA -0.166 4.574 4.740 -0.000 0.000 0.188 257 N C 1.600 177.137 175.510 0.045 0.000 1.019 257 N CA 2.085 55.165 53.050 0.050 0.000 0.857 257 N CB -0.268 38.263 38.487 0.073 0.000 0.997 257 N HN 0.496 nan 8.380 nan 0.000 0.426 258 T N 0.569 115.200 114.554 0.128 0.000 2.720 258 T HA -0.084 4.265 4.350 -0.000 0.000 0.268 258 T C 2.055 176.790 174.700 0.059 0.000 1.037 258 T CA 1.359 63.540 62.100 0.134 0.000 1.144 258 T CB -0.256 68.773 68.868 0.268 0.000 0.864 258 T HN 0.077 nan 8.240 nan 0.000 0.444 259 V N -0.589 119.341 119.914 0.026 0.000 2.379 259 V HA 0.170 4.290 4.120 -0.000 0.000 0.245 259 V C 0.488 176.540 176.094 -0.070 0.000 1.044 259 V CA 0.911 63.150 62.300 -0.102 0.000 1.036 259 V CB -0.401 31.306 31.823 -0.194 0.000 0.664 259 V HN 0.484 nan 8.190 nan 0.000 0.453 260 F N 0.952 120.774 119.950 -0.214 0.000 2.623 260 F HA 0.374 4.901 4.527 -0.000 0.000 0.323 260 F C 0.194 175.872 175.800 -0.202 0.000 1.158 260 F CA -1.555 56.287 58.000 -0.264 0.000 1.030 260 F CB 1.377 40.165 39.000 -0.354 0.000 1.280 260 F HN 0.128 nan 8.300 nan 0.000 0.474 261 D N 4.921 124.842 120.400 -0.798 0.000 2.371 261 D HA -0.055 4.585 4.640 -0.000 0.000 0.221 261 D C 1.195 177.212 176.300 -0.472 0.000 0.986 261 D CA 1.159 54.856 54.000 -0.505 0.000 0.899 261 D CB -0.040 40.519 40.800 -0.402 0.000 0.902 261 D HN 0.700 nan 8.370 nan 0.000 0.530 262 L N -1.903 118.855 121.223 -0.774 0.000 4.696 262 L HA -0.242 4.098 4.340 -0.000 0.000 0.425 262 L C -0.138 176.714 176.870 -0.030 0.000 1.115 262 L CA 0.481 55.190 54.840 -0.219 0.000 0.996 262 L CB -1.400 40.681 42.059 0.037 0.000 2.077 262 L HN 0.216 nan 8.230 nan 0.000 0.792 263 Q N 0.799 120.474 119.800 -0.208 0.000 2.327 263 Q HA 0.243 4.583 4.340 -0.000 0.000 0.254 263 Q C 0.380 176.453 176.000 0.122 0.000 0.952 263 Q CA -0.154 55.616 55.803 -0.054 0.000 0.884 263 Q CB 0.641 29.306 28.738 -0.120 0.000 1.224 263 Q HN 0.123 nan 8.270 nan 0.000 0.422 264 N N 1.837 120.593 118.700 0.092 0.000 2.492 264 N HA 0.089 4.828 4.740 -0.000 0.000 0.262 264 N C -0.284 175.287 175.510 0.100 0.000 1.202 264 N CA 0.349 53.453 53.050 0.089 0.000 0.926 264 N CB 0.595 39.039 38.487 -0.071 0.000 1.078 264 N HN 0.233 nan 8.380 nan 0.000 0.454 265 R N 1.575 122.166 120.500 0.152 0.000 2.803 265 R HA 0.514 4.854 4.340 -0.000 0.000 0.276 265 R C -2.348 173.999 176.300 0.078 0.000 0.978 265 R CA -1.659 54.513 56.100 0.119 0.000 0.939 265 R CB 1.479 31.881 30.300 0.169 0.000 1.179 265 R HN 0.373 nan 8.270 nan 0.000 0.472 266 P HA 0.099 nan 4.420 nan 0.000 0.272 266 P C -1.310 176.040 177.300 0.082 0.000 1.223 266 P CA -0.247 62.930 63.100 0.129 0.000 0.784 266 P CB 0.629 32.460 31.700 0.217 0.000 0.923 267 N N -1.294 117.443 118.700 0.063 0.000 2.972 267 N HA 0.236 4.976 4.740 -0.000 0.000 0.262 267 N C 0.563 176.087 175.510 0.024 0.000 1.478 267 N CA -0.740 52.329 53.050 0.032 0.000 0.841 267 N CB -0.549 37.944 38.487 0.010 0.000 1.512 267 N HN 0.034 nan 8.380 nan 0.000 0.548 268 T N -0.651 113.909 114.554 0.009 0.000 2.699 268 T HA -0.116 4.233 4.350 -0.000 0.000 0.268 268 T C 0.251 174.951 174.700 0.001 0.000 1.036 268 T CA 1.769 63.871 62.100 0.004 0.000 1.147 268 T CB -0.483 68.383 68.868 -0.003 0.000 0.862 268 T HN 0.539 nan 8.240 nan 0.000 0.446 269 D N 0.778 121.174 120.400 -0.008 0.000 2.355 269 D HA 0.244 4.884 4.640 -0.000 0.000 0.218 269 D C 0.680 176.978 176.300 -0.003 0.000 1.004 269 D CA 0.267 54.260 54.000 -0.013 0.000 0.880 269 D CB 0.243 41.025 40.800 -0.030 0.000 0.911 269 D HN 0.378 nan 8.370 nan 0.000 0.528 270 A N 1.470 124.297 122.820 0.012 0.000 3.409 270 A HA 0.294 4.614 4.320 -0.000 0.000 0.282 270 A C -2.003 175.624 177.584 0.072 0.000 1.064 270 A CA -0.778 51.280 52.037 0.036 0.000 0.889 270 A CB 0.922 19.939 19.000 0.028 0.000 1.251 270 A HN -0.168 nan 8.150 nan 0.000 0.538 271 P HA -0.062 nan 4.420 nan 0.000 0.233 271 P C 0.533 177.934 177.300 0.167 0.000 1.167 271 P CA 1.055 64.210 63.100 0.090 0.000 0.770 271 P CB 0.380 32.103 31.700 0.039 0.000 0.837 272 E N -0.454 119.851 120.200 0.175 0.000 2.481 272 E HA 0.096 4.446 4.350 -0.000 0.000 0.198 272 E C 0.268 177.065 176.600 0.327 0.000 1.027 272 E CA -0.045 56.523 56.400 0.281 0.000 0.900 272 E CB 0.301 30.089 29.700 0.147 0.000 0.993 272 E HN 0.461 nan 8.360 nan 0.000 0.482 273 E N 1.013 121.338 120.200 0.208 0.000 2.227 273 E HA 0.432 4.782 4.350 -0.000 0.000 0.268 273 E C -0.326 176.299 176.600 0.043 0.000 0.990 273 E CA -0.546 55.922 56.400 0.113 0.000 0.856 273 E CB 1.480 31.248 29.700 0.112 0.000 1.159 273 E HN -0.094 nan 8.360 nan 0.000 0.401 274 R N 1.823 122.314 120.500 -0.015 0.000 2.483 274 R HA 0.464 4.804 4.340 -0.000 0.000 0.303 274 R C -1.528 174.844 176.300 0.120 0.000 0.987 274 R CA -0.581 55.480 56.100 -0.065 0.000 0.881 274 R CB 1.105 31.232 30.300 -0.288 0.000 1.177 274 R HN 0.409 nan 8.270 nan 0.000 0.451 275 F N 2.217 122.140 119.950 -0.046 0.000 2.622 275 F HA 0.420 4.947 4.527 -0.000 0.000 0.318 275 F C -1.791 173.934 175.800 -0.125 0.000 1.135 275 F CA -0.647 57.324 58.000 -0.049 0.000 1.015 275 F CB 1.969 41.018 39.000 0.082 0.000 1.275 275 F HN 0.413 nan 8.300 nan 0.000 0.457 276 N N 4.651 122.630 118.700 -1.202 0.000 2.295 276 N HA 0.613 5.353 4.740 -0.000 0.000 0.293 276 N C -2.046 172.348 175.510 -1.860 0.000 1.040 276 N CA -0.639 51.635 53.050 -1.294 0.000 0.840 276 N CB 2.430 40.317 38.487 -1.000 0.000 1.468 276 N HN 0.598 nan 8.380 nan 0.000 0.478 277 L N 2.360 122.712 121.223 -1.451 0.000 2.307 277 L HA 0.662 5.002 4.340 -0.000 0.000 0.284 277 L C -1.673 174.603 176.870 -0.990 0.000 1.023 277 L CA -0.292 53.957 54.840 -0.985 0.000 0.810 277 L CB 0.242 42.116 42.059 -0.307 0.000 1.231 277 L HN 0.457 nan 8.230 nan 0.000 0.423 278 F N 6.250 125.936 119.950 -0.441 0.000 2.434 278 F HA 0.550 5.077 4.527 -0.000 0.000 0.367 278 F C -2.153 173.591 175.800 -0.094 0.000 1.093 278 F CA -2.069 55.775 58.000 -0.260 0.000 1.085 278 F CB 0.793 39.614 39.000 -0.299 0.000 1.322 278 F HN 0.412 nan 8.300 nan 0.000 0.452 279 P HA 0.327 nan 4.420 nan 0.000 0.276 279 P C -0.074 177.284 177.300 0.097 0.000 1.261 279 P CA -0.238 62.906 63.100 0.072 0.000 0.800 279 P CB 1.056 32.777 31.700 0.035 0.000 1.066 280 A N -0.909 121.949 122.820 0.063 0.000 2.791 280 A HA -0.086 4.234 4.320 -0.000 0.000 0.292 280 A C -0.108 177.501 177.584 0.042 0.000 1.487 280 A CA 0.678 52.742 52.037 0.046 0.000 0.760 280 A CB -2.410 16.619 19.000 0.047 0.000 1.031 280 A HN 0.256 nan 8.150 nan 0.000 0.503 281 V N -0.352 119.599 119.914 0.062 0.000 2.443 281 V HA 0.678 4.798 4.120 -0.000 0.000 0.293 281 V C 0.543 176.628 176.094 -0.016 0.000 1.021 281 V CA -0.316 62.015 62.300 0.051 0.000 0.848 281 V CB 1.628 33.573 31.823 0.204 0.000 0.998 281 V HN 1.524 nan 8.190 nan 0.000 0.424 282 A N 4.179 126.953 122.820 -0.077 0.000 2.302 282 A HA 0.486 4.805 4.320 -0.000 0.000 0.295 282 A C 0.127 177.660 177.584 -0.086 0.000 1.235 282 A CA -0.178 51.797 52.037 -0.104 0.000 0.876 282 A CB -0.096 18.870 19.000 -0.057 0.000 1.133 282 A HN 0.868 nan 8.150 nan 0.000 0.533 283 C N 2.601 121.836 119.300 -0.108 0.000 2.435 283 C HA 0.347 4.807 4.460 -0.000 0.000 0.375 283 C C 1.392 176.344 174.990 -0.064 0.000 1.281 283 C CA -0.233 58.713 59.018 -0.120 0.000 1.963 283 C CB -0.158 27.511 27.740 -0.118 0.000 2.490 283 C HN 1.010 nan 8.230 nan 0.000 0.557 284 E N 0.740 120.935 120.200 -0.009 0.000 2.332 284 E HA 0.115 4.465 4.350 -0.000 0.000 0.202 284 E C 0.043 176.657 176.600 0.022 0.000 0.877 284 E CA 0.353 56.779 56.400 0.042 0.000 0.979 284 E CB 0.489 30.286 29.700 0.161 0.000 0.969 284 E HN 0.689 nan 8.360 nan 0.000 0.495 285 R N 0.499 121.023 120.500 0.040 0.000 2.629 285 R HA 0.392 4.732 4.340 -0.000 0.000 0.266 285 R C -0.875 175.421 176.300 -0.007 0.000 1.051 285 R CA -0.732 55.370 56.100 0.004 0.000 0.895 285 R CB 1.658 31.947 30.300 -0.019 0.000 1.246 285 R HN -0.108 nan 8.270 nan 0.000 0.459 286 V N -0.906 118.985 119.914 -0.037 0.000 2.532 286 V HA 0.605 4.724 4.120 -0.000 0.000 0.295 286 V C 0.094 176.145 176.094 -0.072 0.000 1.041 286 V CA -0.870 61.373 62.300 -0.096 0.000 0.926 286 V CB 1.751 33.478 31.823 -0.159 0.000 0.992 286 V HN 0.480 nan 8.190 nan 0.000 0.457 287 V N 5.378 125.229 119.914 -0.106 0.000 2.383 287 V HA 0.454 4.574 4.120 -0.000 0.000 0.275 287 V C 0.613 176.680 176.094 -0.044 0.000 1.036 287 V CA -0.420 61.840 62.300 -0.066 0.000 0.889 287 V CB 0.863 32.659 31.823 -0.045 0.000 0.985 287 V HN 0.935 nan 8.190 nan 0.000 0.459 288 R N 3.858 124.349 120.500 -0.014 0.000 2.410 288 R HA 0.310 4.650 4.340 -0.000 0.000 0.288 288 R C 0.344 176.676 176.300 0.054 0.000 1.051 288 R CA -0.606 55.546 56.100 0.087 0.000 1.021 288 R CB 0.710 31.037 30.300 0.045 0.000 1.032 288 R HN 0.868 nan 8.270 nan 0.000 0.481 289 N N 1.529 120.275 118.700 0.077 0.000 2.326 289 N HA -0.026 4.714 4.740 -0.000 0.000 0.239 289 N C 0.541 176.048 175.510 -0.004 0.000 1.301 289 N CA 0.192 53.255 53.050 0.021 0.000 0.909 289 N CB 0.497 38.991 38.487 0.012 0.000 1.156 289 N HN 0.583 nan 8.380 nan 0.000 0.462 290 A N 0.475 123.285 122.820 -0.017 0.000 2.019 290 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 290 A C 2.185 179.744 177.584 -0.042 0.000 1.164 290 A CA 0.874 52.895 52.037 -0.028 0.000 0.644 290 A CB -0.734 18.252 19.000 -0.024 0.000 0.805 290 A HN 0.656 nan 8.150 nan 0.000 0.449 291 L N -0.878 120.311 121.223 -0.057 0.000 2.554 291 L HA -0.014 4.326 4.340 -0.000 0.000 0.226 291 L C 0.029 176.812 176.870 -0.146 0.000 1.137 291 L CA -0.032 54.758 54.840 -0.084 0.000 0.863 291 L CB -0.387 41.622 42.059 -0.083 0.000 0.985 291 L HN 0.396 nan 8.230 nan 0.000 0.451 292 N N 0.200 118.806 118.700 -0.157 0.000 2.725 292 N HA -0.181 4.558 4.740 -0.000 0.000 0.251 292 N C 0.860 175.805 175.510 -0.941 0.000 1.031 292 N CA 1.050 53.904 53.050 -0.325 0.000 0.720 292 N CB -1.166 37.278 38.487 -0.072 0.000 0.930 292 N HN 0.531 nan 8.380 nan 0.000 0.543 293 S N -2.092 113.170 115.700 -0.730 0.000 2.632 293 S HA 0.252 4.721 4.470 -0.000 0.000 0.237 293 S C 0.270 174.596 174.600 -0.458 0.000 1.037 293 S CA -0.202 57.604 58.200 -0.658 0.000 1.009 293 S CB 1.569 64.609 63.200 -0.267 0.000 0.974 293 S HN 0.399 nan 8.310 nan 0.000 0.544 294 E N 0.374 120.437 120.200 -0.229 0.000 2.375 294 E HA 0.418 4.767 4.350 -0.000 0.000 0.280 294 E C -1.666 175.115 176.600 0.302 0.000 0.972 294 E CA -0.855 55.631 56.400 0.143 0.000 0.782 294 E CB 1.291 31.048 29.700 0.095 0.000 1.229 294 E HN 0.077 nan 8.360 nan 0.000 0.439 295 I N 3.480 124.202 120.570 0.254 0.000 2.428 295 I HA 0.112 4.282 4.170 -0.000 0.000 0.289 295 I C 0.995 177.050 176.117 -0.103 0.000 1.019 295 I CA 0.170 61.447 61.300 -0.038 0.000 1.351 295 I CB 1.179 38.916 38.000 -0.439 0.000 1.412 295 I HN 0.692 nan 8.210 nan 0.000 0.513 296 E N 3.084 123.223 120.200 -0.101 0.000 2.389 296 E HA 0.088 4.437 4.350 -0.000 0.000 0.199 296 E C 0.208 176.831 176.600 0.037 0.000 0.978 296 E CA 0.340 56.745 56.400 0.009 0.000 0.912 296 E CB 0.550 30.266 29.700 0.028 0.000 0.907 296 E HN 0.725 nan 8.360 nan 0.000 0.494 297 S N -0.428 115.209 115.700 -0.105 0.000 2.615 297 S HA 0.483 4.953 4.470 -0.000 0.000 0.268 297 S C -1.499 173.070 174.600 -0.051 0.000 1.146 297 S CA -1.077 57.156 58.200 0.055 0.000 0.818 297 S CB 1.268 64.521 63.200 0.088 0.000 1.111 297 S HN 0.016 nan 8.310 nan 0.000 0.465 298 L N 1.912 123.211 121.223 0.127 0.000 2.305 298 L HA 0.661 5.001 4.340 -0.000 0.000 0.284 298 L C -0.706 176.169 176.870 0.009 0.000 1.013 298 L CA -0.183 54.686 54.840 0.048 0.000 0.819 298 L CB 1.131 43.257 42.059 0.112 0.000 1.227 298 L HN 1.005 nan 8.230 nan 0.000 0.417 299 H N 5.443 124.471 119.070 -0.070 0.000 2.668 299 H HA 0.568 5.123 4.556 -0.000 0.000 0.303 299 H C -0.364 174.910 175.328 -0.091 0.000 1.074 299 H CA -0.041 55.971 56.048 -0.061 0.000 1.406 299 H CB 0.549 30.281 29.762 -0.050 0.000 1.442 299 H HN 0.675 nan 8.280 nan 0.000 0.482 300 I N 1.567 121.804 120.570 -0.555 0.000 3.067 300 I HA 0.457 4.627 4.170 -0.000 0.000 0.312 300 I C -1.086 174.863 176.117 -0.280 0.000 1.073 300 I CA -1.063 60.008 61.300 -0.382 0.000 1.016 300 I CB 2.541 40.278 38.000 -0.437 0.000 1.227 300 I HN 0.674 nan 8.210 nan 0.000 0.456 301 H N 2.147 121.099 119.070 -0.196 0.000 3.013 301 H HA 0.219 4.775 4.556 -0.000 0.000 0.326 301 H C -1.693 173.629 175.328 -0.011 0.000 0.973 301 H CA -0.696 55.294 56.048 -0.096 0.000 1.369 301 H CB 1.434 31.172 29.762 -0.041 0.000 1.598 301 H HN 0.785 nan 8.280 nan 0.000 0.518 302 D N 5.505 125.949 120.400 0.073 0.000 2.325 302 D HA 0.024 4.664 4.640 -0.000 0.000 0.251 302 D C 0.957 177.162 176.300 -0.158 0.000 1.196 302 D CA -0.195 53.815 54.000 0.017 0.000 0.866 302 D CB 1.196 42.102 40.800 0.177 0.000 1.101 302 D HN 0.677 nan 8.370 nan 0.000 0.476 303 L N 4.128 125.235 121.223 -0.194 0.000 2.478 303 L HA -0.060 4.280 4.340 -0.000 0.000 0.223 303 L C 1.785 178.611 176.870 -0.073 0.000 1.140 303 L CA 0.083 54.782 54.840 -0.234 0.000 0.842 303 L CB 0.007 42.001 42.059 -0.109 0.000 0.953 303 L HN 0.516 nan 8.230 nan 0.000 0.452 304 I N -0.842 119.719 120.570 -0.013 0.000 2.499 304 I HA -0.107 4.063 4.170 -0.000 0.000 0.243 304 I C 2.706 178.845 176.117 0.035 0.000 1.085 304 I CA 1.480 62.793 61.300 0.022 0.000 1.422 304 I CB -1.089 36.936 38.000 0.041 0.000 1.165 304 I HN 0.241 nan 8.210 nan 0.000 0.440 305 S N 0.744 116.477 115.700 0.055 0.000 2.428 305 S HA 0.016 4.485 4.470 -0.000 0.000 0.230 305 S C 1.859 176.495 174.600 0.060 0.000 1.014 305 S CA 1.069 59.308 58.200 0.064 0.000 0.957 305 S CB -0.211 63.047 63.200 0.096 0.000 0.784 305 S HN 0.639 nan 8.310 nan 0.000 0.499 306 G N 0.922 109.771 108.800 0.081 0.000 2.176 306 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.253 306 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.253 306 G C -0.342 174.642 174.900 0.140 0.000 0.979 306 G CA 0.193 45.393 45.100 0.166 0.000 0.641 306 G HN 0.575 nan 8.290 nan 0.000 0.530 307 D N 0.424 120.845 120.400 0.035 0.000 2.372 307 D HA 0.465 5.105 4.640 -0.000 0.000 0.243 307 D C 0.817 176.973 176.300 -0.240 0.000 1.121 307 D CA 0.277 54.154 54.000 -0.206 0.000 0.898 307 D CB 0.568 41.141 40.800 -0.379 0.000 1.202 307 D HN 0.293 nan 8.370 nan 0.000 0.428 308 R N 1.726 121.953 120.500 -0.454 0.000 2.476 308 R HA 0.437 4.777 4.340 -0.000 0.000 0.305 308 R C -0.834 175.167 176.300 -0.497 0.000 0.965 308 R CA -0.586 55.312 56.100 -0.337 0.000 0.867 308 R CB 0.982 31.164 30.300 -0.195 0.000 1.176 308 R HN 0.301 nan 8.270 nan 0.000 0.447 309 F N 0.252 120.056 119.950 -0.244 0.000 2.631 309 F HA 0.415 4.942 4.527 -0.000 0.000 0.328 309 F C 0.506 176.183 175.800 -0.204 0.000 1.067 309 F CA -1.055 56.843 58.000 -0.169 0.000 0.969 309 F CB 1.547 40.462 39.000 -0.142 0.000 1.332 309 F HN 0.106 nan 8.300 nan 0.000 0.490 310 E N 2.041 122.344 120.200 0.172 0.000 2.145 310 E HA 0.386 4.735 4.350 -0.000 0.000 0.270 310 E C -0.990 175.659 176.600 0.082 0.000 0.906 310 E CA -0.498 55.966 56.400 0.107 0.000 0.761 310 E CB 2.321 32.100 29.700 0.131 0.000 1.116 310 E HN 0.254 nan 8.360 nan 0.000 0.408 311 I N 2.390 122.985 120.570 0.042 0.000 2.392 311 I HA 0.275 4.445 4.170 -0.000 0.000 0.295 311 I C 0.476 176.705 176.117 0.186 0.000 0.985 311 I CA -0.592 60.755 61.300 0.079 0.000 1.221 311 I CB 1.143 39.145 38.000 0.003 0.000 1.366 311 I HN 0.191 nan 8.210 nan 0.000 0.467 312 K N 4.057 124.566 120.400 0.181 0.000 2.182 312 K HA 0.835 5.154 4.320 -0.000 0.000 0.262 312 K C -0.865 175.814 176.600 0.132 0.000 0.957 312 K CA -0.484 55.925 56.287 0.204 0.000 0.842 312 K CB 2.688 35.268 32.500 0.134 0.000 1.099 312 K HN 0.814 nan 8.250 nan 0.000 0.438 313 A N 1.938 124.764 122.820 0.011 0.000 2.594 313 A HA 0.328 4.648 4.320 -0.000 0.000 0.291 313 A C -0.282 177.194 177.584 -0.180 0.000 1.105 313 A CA -0.614 51.300 52.037 -0.206 0.000 0.694 313 A CB 0.993 19.683 19.000 -0.516 0.000 1.291 313 A HN 0.663 nan 8.150 nan 0.000 0.410 314 D N -0.498 119.834 120.400 -0.113 0.000 2.149 314 D HA 0.085 4.725 4.640 -0.000 0.000 0.201 314 D C 0.343 176.537 176.300 -0.176 0.000 0.972 314 D CA 1.769 55.760 54.000 -0.016 0.000 0.835 314 D CB 0.117 40.965 40.800 0.080 0.000 0.966 314 D HN 0.220 nan 8.370 nan 0.000 0.476 315 V N 0.568 120.221 119.914 -0.435 0.000 2.638 315 V HA 0.263 4.383 4.120 -0.000 0.000 0.306 315 V C -1.296 174.517 176.094 -0.467 0.000 1.052 315 V CA -0.877 61.159 62.300 -0.440 0.000 0.885 315 V CB 1.862 33.278 31.823 -0.678 0.000 0.999 315 V HN -0.065 nan 8.190 nan 0.000 0.424 316 Y N 3.087 123.373 120.300 -0.023 0.000 2.328 316 Y HA 0.688 5.237 4.550 -0.000 0.000 0.337 316 Y C -0.059 175.811 175.900 -0.050 0.000 0.966 316 Y CA -0.872 57.205 58.100 -0.037 0.000 1.136 316 Y CB 2.067 40.509 38.460 -0.029 0.000 1.170 316 Y HN 0.357 nan 8.280 nan 0.000 0.470 317 V N 5.511 125.387 119.914 -0.064 0.000 2.487 317 V HA 0.406 4.526 4.120 -0.000 0.000 0.298 317 V C -0.457 175.503 176.094 -0.223 0.000 1.028 317 V CA -0.943 61.208 62.300 -0.249 0.000 0.860 317 V CB 1.780 33.247 31.823 -0.593 0.000 0.991 317 V HN 0.588 nan 8.190 nan 0.000 0.427 318 L N 5.118 126.203 121.223 -0.231 0.000 2.276 318 L HA 0.543 4.883 4.340 -0.000 0.000 0.286 318 L C 0.262 177.023 176.870 -0.183 0.000 1.024 318 L CA -0.200 54.529 54.840 -0.185 0.000 0.826 318 L CB 1.596 43.529 42.059 -0.211 0.000 1.211 318 L HN 0.815 nan 8.230 nan 0.000 0.422 319 T N -1.640 112.839 114.554 -0.125 0.000 3.624 319 T HA 0.345 4.694 4.350 -0.000 0.000 0.244 319 T C 0.683 175.384 174.700 0.001 0.000 1.063 319 T CA -0.183 61.884 62.100 -0.055 0.000 1.252 319 T CB 1.013 69.846 68.868 -0.058 0.000 1.021 319 T HN 0.524 nan 8.240 nan 0.000 0.590 320 A N 0.849 123.680 122.820 0.018 0.000 2.337 320 A HA 0.756 5.076 4.320 -0.000 0.000 0.227 320 A C 1.377 179.034 177.584 0.121 0.000 1.259 320 A CA 0.073 52.145 52.037 0.059 0.000 0.870 320 A CB -0.826 18.206 19.000 0.054 0.000 0.927 320 A HN 1.675 nan 8.150 nan 0.000 0.497 321 G N -2.555 106.314 108.800 0.115 0.000 2.662 321 G HA2 0.258 4.217 3.960 -0.000 0.000 0.686 321 G HA3 0.258 4.217 3.960 -0.000 0.000 0.686 321 G C 0.758 175.755 174.900 0.161 0.000 1.271 321 G CA -0.308 44.869 45.100 0.129 0.000 0.816 321 G HN 1.291 nan 8.290 nan 0.000 0.608 322 A N -0.295 122.607 122.820 0.136 0.000 1.940 322 A HA 0.177 4.497 4.320 -0.000 0.000 0.219 322 A C 2.653 180.323 177.584 0.144 0.000 1.176 322 A CA 3.318 55.430 52.037 0.125 0.000 0.631 322 A CB -0.389 18.663 19.000 0.086 0.000 0.814 322 A HN 1.609 nan 8.150 nan 0.000 0.446 323 V N -0.969 118.990 119.914 0.075 0.000 2.302 323 V HA -0.200 3.920 4.120 -0.000 0.000 0.243 323 V C 2.230 178.344 176.094 0.034 0.000 1.036 323 V CA 2.148 64.464 62.300 0.027 0.000 1.020 323 V CB -1.099 30.623 31.823 -0.168 0.000 0.657 323 V HN 0.735 nan 8.190 nan 0.000 0.453 324 H N -0.072 119.070 119.070 0.120 0.000 2.462 324 H HA -0.040 4.515 4.556 -0.000 0.000 0.292 324 H C 2.284 177.604 175.328 -0.013 0.000 1.049 324 H CA 0.990 57.062 56.048 0.040 0.000 1.334 324 H CB 0.056 29.820 29.762 0.004 0.000 1.404 324 H HN 0.329 nan 8.280 nan 0.000 0.544 325 N N -0.061 118.714 118.700 0.124 0.000 2.104 325 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 325 N C 1.769 177.263 175.510 -0.027 0.000 1.024 325 N CA 1.817 54.872 53.050 0.008 0.000 0.853 325 N CB -0.506 37.968 38.487 -0.022 0.000 1.008 325 N HN 0.333 nan 8.380 nan 0.000 0.424 326 T N 0.815 115.427 114.554 0.096 0.000 2.777 326 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 326 T C 1.848 176.396 174.700 -0.254 0.000 1.040 326 T CA 1.027 63.175 62.100 0.081 0.000 1.141 326 T CB -0.177 68.893 68.868 0.336 0.000 0.868 326 T HN 0.351 nan 8.240 nan 0.000 0.444 327 Q N 0.204 119.738 119.800 -0.444 0.000 2.061 327 Q HA -0.140 4.199 4.340 -0.000 0.000 0.204 327 Q C 2.313 178.027 176.000 -0.476 0.000 0.984 327 Q CA 1.254 56.458 55.803 -0.999 0.000 0.846 327 Q CB -0.270 28.229 28.738 -0.399 0.000 0.902 327 Q HN 0.337 nan 8.270 nan 0.000 0.421 328 L N 0.788 121.875 121.223 -0.228 0.000 2.046 328 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 328 L C 2.102 178.891 176.870 -0.134 0.000 1.077 328 L CA 1.602 56.353 54.840 -0.149 0.000 0.747 328 L CB -0.786 41.205 42.059 -0.114 0.000 0.896 328 L HN 0.338 nan 8.230 nan 0.000 0.432 329 L N -1.854 119.270 121.223 -0.165 0.000 2.017 329 L HA -0.221 4.118 4.340 -0.000 0.000 0.208 329 L C 2.424 179.340 176.870 0.078 0.000 1.073 329 L CA 1.097 55.873 54.840 -0.107 0.000 0.745 329 L CB -0.637 41.264 42.059 -0.263 0.000 0.894 329 L HN 0.097 nan 8.230 nan 0.000 0.432 330 V N -0.205 119.672 119.914 -0.062 0.000 2.427 330 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 330 V C 2.046 178.121 176.094 -0.031 0.000 1.051 330 V CA 1.878 64.166 62.300 -0.019 0.000 1.048 330 V CB -0.678 31.102 31.823 -0.072 0.000 0.666 330 V HN 0.479 nan 8.190 nan 0.000 0.456 331 N N -0.040 118.598 118.700 -0.102 0.000 2.520 331 N HA -0.092 4.648 4.740 -0.000 0.000 0.185 331 N C 1.546 177.038 175.510 -0.029 0.000 1.068 331 N CA 1.041 54.053 53.050 -0.062 0.000 0.911 331 N CB -0.009 38.427 38.487 -0.084 0.000 0.961 331 N HN 0.370 nan 8.380 nan 0.000 0.446 332 S N -1.662 114.047 115.700 0.015 0.000 2.540 332 S HA 0.322 4.792 4.470 -0.000 0.000 0.218 332 S C 1.052 175.615 174.600 -0.062 0.000 0.977 332 S CA 0.271 58.484 58.200 0.021 0.000 0.918 332 S CB 0.675 63.956 63.200 0.135 0.000 0.806 332 S HN 0.535 nan 8.310 nan 0.000 0.496 333 G N 1.035 109.805 108.800 -0.050 0.000 2.163 333 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.213 333 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.213 333 G C -0.086 174.680 174.900 -0.222 0.000 0.991 333 G CA -0.616 44.399 45.100 -0.141 0.000 0.653 333 G HN 0.388 nan 8.290 nan 0.000 0.518 334 F N 0.840 120.757 119.950 -0.054 0.000 2.370 334 F HA 0.561 5.088 4.527 -0.000 0.000 0.324 334 F C 1.613 177.419 175.800 0.011 0.000 1.116 334 F CA 1.016 58.996 58.000 -0.034 0.000 1.123 334 F CB 0.957 39.907 39.000 -0.083 0.000 1.238 334 F HN 0.789 nan 8.300 nan 0.000 0.536 335 G N 1.688 110.631 108.800 0.237 0.000 2.566 335 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.280 335 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.280 335 G C -0.779 174.198 174.900 0.128 0.000 1.225 335 G CA 0.128 45.338 45.100 0.183 0.000 0.966 335 G HN 0.858 nan 8.290 nan 0.000 0.560 336 Q N -1.147 118.736 119.800 0.138 0.000 2.305 336 Q HA 0.627 4.967 4.340 -0.000 0.000 0.271 336 Q C -1.078 175.009 176.000 0.146 0.000 1.046 336 Q CA -0.998 54.867 55.803 0.103 0.000 0.798 336 Q CB 1.763 30.541 28.738 0.067 0.000 1.286 336 Q HN 0.871 nan 8.270 nan 0.000 0.435 337 L N 3.595 124.893 121.223 0.125 0.000 2.371 337 L HA 0.763 5.102 4.340 -0.000 0.000 0.272 337 L C 0.361 177.318 176.870 0.145 0.000 1.124 337 L CA 1.929 56.871 54.840 0.170 0.000 0.816 337 L CB 1.011 43.142 42.059 0.121 0.000 1.129 337 L HN 0.862 nan 8.230 nan 0.000 0.448 338 G N 3.720 112.663 108.800 0.237 0.000 2.685 338 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.387 338 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.387 338 G C -0.577 174.239 174.900 -0.141 0.000 1.324 338 G CA -0.298 44.900 45.100 0.163 0.000 0.878 338 G HN 0.881 nan 8.290 nan 0.000 0.527 339 R N 0.782 120.985 120.500 -0.495 0.000 2.484 339 R HA 0.367 4.706 4.340 -0.000 0.000 0.293 339 R C -1.944 173.924 176.300 -0.719 0.000 1.023 339 R CA -0.756 54.613 56.100 -1.218 0.000 1.037 339 R CB -0.008 29.822 30.300 -0.783 0.000 0.951 339 R HN 0.318 nan 8.270 nan 0.000 0.418 340 P HA -0.103 nan 4.420 nan 0.000 0.260 340 P C -1.272 175.871 177.300 -0.263 0.000 1.172 340 P CA 0.663 63.529 63.100 -0.389 0.000 0.760 340 P CB 0.284 31.770 31.700 -0.357 0.000 0.773 341 N N 4.055 122.658 118.700 -0.161 0.000 2.617 341 N HA 0.189 4.929 4.740 -0.000 0.000 0.263 341 N C -1.911 173.556 175.510 -0.071 0.000 1.074 341 N CA -1.935 51.047 53.050 -0.114 0.000 0.841 341 N CB 1.323 39.751 38.487 -0.098 0.000 1.221 341 N HN 0.167 nan 8.380 nan 0.000 0.529 342 P HA 0.018 nan 4.420 nan 0.000 0.242 342 P C 0.561 177.845 177.300 -0.027 0.000 1.197 342 P CA 0.420 63.497 63.100 -0.039 0.000 0.765 342 P CB 0.302 31.979 31.700 -0.040 0.000 0.936 343 A N -0.661 122.140 122.820 -0.032 0.000 2.275 343 A HA 0.080 4.399 4.320 -0.000 0.000 0.212 343 A C 1.168 178.740 177.584 -0.020 0.000 1.201 343 A CA 0.062 52.085 52.037 -0.023 0.000 0.843 343 A CB -0.458 18.527 19.000 -0.025 0.000 0.873 343 A HN 0.122 nan 8.150 nan 0.000 0.492 344 N N 0.951 119.638 118.700 -0.023 0.000 2.791 344 N HA 0.250 4.990 4.740 -0.000 0.000 0.265 344 N C -3.335 172.169 175.510 -0.009 0.000 1.580 344 N CA -1.088 51.953 53.050 -0.016 0.000 0.809 344 N CB 1.213 39.688 38.487 -0.020 0.000 1.178 344 N HN 0.022 nan 8.380 nan 0.000 0.499 345 P HA 0.243 nan 4.420 nan 0.000 0.275 345 P C -2.472 174.840 177.300 0.020 0.000 1.228 345 P CA -0.796 62.311 63.100 0.012 0.000 0.786 345 P CB 0.340 32.050 31.700 0.016 0.000 0.927 346 P HA 0.149 nan 4.420 nan 0.000 0.277 346 P C 0.554 177.879 177.300 0.042 0.000 1.240 346 P CA -0.164 62.960 63.100 0.039 0.000 0.798 346 P CB 1.302 33.041 31.700 0.064 0.000 0.979 347 E N 0.474 120.692 120.200 0.030 0.000 2.072 347 E HA -0.036 4.314 4.350 -0.000 0.000 0.191 347 E C 0.203 176.835 176.600 0.054 0.000 0.985 347 E CA 0.897 57.313 56.400 0.027 0.000 0.801 347 E CB 0.054 29.755 29.700 0.002 0.000 0.750 347 E HN 0.428 nan 8.360 nan 0.000 0.452 348 L N 0.935 122.198 121.223 0.068 0.000 2.329 348 L HA 0.279 4.618 4.340 -0.000 0.000 0.279 348 L C 0.204 177.201 176.870 0.211 0.000 1.014 348 L CA -0.691 54.234 54.840 0.143 0.000 0.814 348 L CB 1.798 43.907 42.059 0.084 0.000 1.257 348 L HN 0.100 nan 8.230 nan 0.000 0.424 349 L N 3.216 124.589 121.223 0.250 0.000 3.823 349 L HA -0.179 4.161 4.340 -0.000 0.000 0.525 349 L C -1.401 175.583 176.870 0.190 0.000 1.247 349 L CA -0.482 54.502 54.840 0.241 0.000 0.776 349 L CB -0.849 41.381 42.059 0.285 0.000 1.443 349 L HN 0.610 nan 8.230 nan 0.000 0.831 350 P HA -0.117 nan 4.420 nan 0.000 0.225 350 P C 1.211 178.611 177.300 0.167 0.000 1.148 350 P CA 1.037 64.217 63.100 0.134 0.000 0.779 350 P CB 0.337 32.096 31.700 0.099 0.000 0.780 351 S N -0.836 114.981 115.700 0.195 0.000 2.575 351 S HA 0.089 4.559 4.470 -0.000 0.000 0.215 351 S C 0.773 175.535 174.600 0.270 0.000 0.966 351 S CA -0.447 57.914 58.200 0.268 0.000 0.911 351 S CB -0.574 62.757 63.200 0.220 0.000 0.780 351 S HN 0.060 nan 8.310 nan 0.000 0.514 352 L N 2.248 123.608 121.223 0.228 0.000 2.499 352 L HA 0.414 4.754 4.340 -0.000 0.000 0.273 352 L C 1.205 178.222 176.870 0.246 0.000 1.195 352 L CA 1.225 56.203 54.840 0.229 0.000 0.882 352 L CB -0.295 41.888 42.059 0.207 0.000 1.133 352 L HN 0.344 nan 8.230 nan 0.000 0.483 353 G N 2.431 111.388 108.800 0.261 0.000 2.184 353 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.264 353 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.264 353 G C 0.458 175.494 174.900 0.226 0.000 0.975 353 G CA 0.403 45.660 45.100 0.260 0.000 0.642 353 G HN 0.838 nan 8.290 nan 0.000 0.536 354 S N -1.496 114.346 115.700 0.237 0.000 2.664 354 S HA 0.645 5.115 4.470 -0.000 0.000 0.304 354 S C 0.379 175.143 174.600 0.273 0.000 1.099 354 S CA 0.125 58.411 58.200 0.144 0.000 1.003 354 S CB 0.901 64.124 63.200 0.038 0.000 1.092 354 S HN 0.949 nan 8.310 nan 0.000 0.525 355 Y N -1.158 119.210 120.300 0.113 0.000 4.490 355 Y HA -0.206 4.344 4.550 -0.000 0.000 0.233 355 Y C 0.500 176.483 175.900 0.139 0.000 1.101 355 Y CA 0.187 58.352 58.100 0.108 0.000 2.010 355 Y CB -2.424 36.096 38.460 0.099 0.000 1.622 355 Y HN 0.628 nan 8.280 nan 0.000 0.675 356 I N 0.070 120.792 120.570 0.254 0.000 2.754 356 I HA 0.453 4.622 4.170 -0.000 0.000 0.285 356 I C 0.678 176.973 176.117 0.297 0.000 1.166 356 I CA 0.528 61.986 61.300 0.264 0.000 1.417 356 I CB 1.187 39.346 38.000 0.266 0.000 1.382 356 I HN 0.218 nan 8.210 nan 0.000 0.588 357 T N 1.814 116.509 114.554 0.235 0.000 2.861 357 T HA 0.673 5.023 4.350 -0.000 0.000 0.287 357 T C -0.677 174.078 174.700 0.091 0.000 1.003 357 T CA -0.707 61.522 62.100 0.216 0.000 0.977 357 T CB 2.033 70.966 68.868 0.108 0.000 0.996 357 T HN 0.830 nan 8.240 nan 0.000 0.448 358 E N 1.230 121.462 120.200 0.054 0.000 2.340 358 E HA 0.390 4.740 4.350 -0.000 0.000 0.273 358 E C -1.015 175.716 176.600 0.218 0.000 0.891 358 E CA -0.617 55.755 56.400 -0.047 0.000 0.757 358 E CB 2.054 31.480 29.700 -0.457 0.000 1.231 358 E HN 0.710 nan 8.360 nan 0.000 0.439 359 Q N 0.899 120.832 119.800 0.223 0.000 2.299 359 Q HA 0.458 4.798 4.340 -0.000 0.000 0.246 359 Q C -0.473 175.744 176.000 0.362 0.000 0.935 359 Q CA -0.543 55.436 55.803 0.293 0.000 0.887 359 Q CB 1.350 30.282 28.738 0.324 0.000 1.223 359 Q HN 0.463 nan 8.270 nan 0.000 0.439 360 S N 1.428 117.242 115.700 0.191 0.000 2.564 360 S HA 0.305 4.775 4.470 -0.000 0.000 0.278 360 S C -0.709 173.924 174.600 0.055 0.000 1.333 360 S CA -0.461 57.704 58.200 -0.059 0.000 1.048 360 S CB 0.359 63.430 63.200 -0.215 0.000 0.900 360 S HN 0.356 nan 8.310 nan 0.000 0.505 361 L N 5.008 126.236 121.223 0.008 0.000 2.381 361 L HA 0.727 5.066 4.340 -0.000 0.000 0.274 361 L C -0.714 176.002 176.870 -0.256 0.000 0.988 361 L CA -0.677 54.071 54.840 -0.154 0.000 0.824 361 L CB 1.548 43.501 42.059 -0.177 0.000 1.263 361 L HN 0.467 nan 8.230 nan 0.000 0.410 362 V N 2.039 121.717 119.914 -0.393 0.000 2.769 362 V HA 0.760 4.880 4.120 -0.000 0.000 0.312 362 V C -0.966 174.970 176.094 -0.263 0.000 1.058 362 V CA -0.706 61.286 62.300 -0.513 0.000 0.952 362 V CB 1.702 33.026 31.823 -0.830 0.000 1.019 362 V HN 0.826 nan 8.190 nan 0.000 0.445 363 F N 3.872 123.589 119.950 -0.389 0.000 2.628 363 F HA 0.838 5.364 4.527 -0.000 0.000 0.309 363 F C -0.438 175.209 175.800 -0.255 0.000 1.108 363 F CA -0.235 57.613 58.000 -0.253 0.000 0.971 363 F CB 1.404 40.297 39.000 -0.178 0.000 1.279 363 F HN 1.220 nan 8.300 nan 0.000 0.441 364 C N 2.894 121.473 119.300 -1.203 0.000 3.332 364 C HA 0.839 5.299 4.460 -0.000 0.000 0.329 364 C C -1.663 172.681 174.990 -1.077 0.000 1.434 364 C CA -0.639 57.666 59.018 -1.189 0.000 1.314 364 C CB 1.717 29.034 27.740 -0.706 0.000 1.664 364 C HN 0.968 nan 8.230 nan 0.000 0.457 365 Q N 0.418 119.877 119.800 -0.569 0.000 2.433 365 Q HA 0.791 5.130 4.340 -0.000 0.000 0.279 365 Q C -0.583 175.430 176.000 0.022 0.000 1.105 365 Q CA -0.276 55.426 55.803 -0.168 0.000 0.815 365 Q CB 2.720 31.360 28.738 -0.164 0.000 1.403 365 Q HN 0.945 nan 8.270 nan 0.000 0.435 366 T N -2.677 111.964 114.554 0.145 0.000 2.916 366 T HA 0.710 5.060 4.350 -0.000 0.000 0.292 366 T C -0.686 174.064 174.700 0.083 0.000 1.064 366 T CA -0.731 61.429 62.100 0.100 0.000 1.011 366 T CB 1.256 70.197 68.868 0.120 0.000 1.152 366 T HN 0.261 nan 8.240 nan 0.000 0.510 367 V N 2.450 122.382 119.914 0.030 0.000 2.378 367 V HA 0.406 4.526 4.120 -0.000 0.000 0.288 367 V C 0.207 176.306 176.094 0.007 0.000 1.016 367 V CA -0.885 61.424 62.300 0.015 0.000 0.840 367 V CB 1.147 32.969 31.823 -0.002 0.000 0.994 367 V HN 1.024 nan 8.190 nan 0.000 0.431 368 M N 4.883 124.496 119.600 0.022 0.000 2.248 368 M HA 0.069 4.548 4.480 -0.000 0.000 0.343 368 M C 0.923 177.225 176.300 0.003 0.000 1.243 368 M CA 0.719 56.034 55.300 0.025 0.000 1.025 368 M CB 0.564 33.177 32.600 0.021 0.000 1.759 368 M HN 0.934 nan 8.290 nan 0.000 0.452 369 S N 2.751 118.449 115.700 -0.002 0.000 2.563 369 S HA 0.022 4.491 4.470 -0.000 0.000 0.284 369 S C 1.039 175.637 174.600 -0.003 0.000 1.331 369 S CA 0.016 58.207 58.200 -0.015 0.000 1.047 369 S CB 0.359 63.546 63.200 -0.021 0.000 0.859 369 S HN 0.820 nan 8.310 nan 0.000 0.514 370 T N 2.387 116.936 114.554 -0.009 0.000 2.653 370 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 370 T C 1.648 176.353 174.700 0.008 0.000 1.035 370 T CA 2.055 64.155 62.100 -0.000 0.000 1.154 370 T CB -0.579 68.286 68.868 -0.005 0.000 0.862 370 T HN 0.786 nan 8.240 nan 0.000 0.441 371 E N 0.614 120.815 120.200 0.002 0.000 2.038 371 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 371 E C 2.322 178.937 176.600 0.025 0.000 1.000 371 E CA 1.114 57.519 56.400 0.008 0.000 0.803 371 E CB -0.355 29.343 29.700 -0.003 0.000 0.750 371 E HN 0.451 nan 8.360 nan 0.000 0.448 372 L N 0.769 122.009 121.223 0.028 0.000 2.046 372 L HA -0.205 4.134 4.340 -0.000 0.000 0.208 372 L C 2.517 179.424 176.870 0.062 0.000 1.077 372 L CA 0.578 55.450 54.840 0.052 0.000 0.747 372 L CB -0.414 41.676 42.059 0.051 0.000 0.896 372 L HN 0.189 nan 8.230 nan 0.000 0.432 373 I N 0.126 120.719 120.570 0.039 0.000 2.163 373 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 373 I C 2.213 178.359 176.117 0.049 0.000 1.085 373 I CA 1.610 62.930 61.300 0.033 0.000 1.347 373 I CB -1.149 36.861 38.000 0.017 0.000 1.044 373 I HN 0.296 nan 8.210 nan 0.000 0.408 374 D N 0.754 121.182 120.400 0.046 0.000 2.149 374 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 374 D C 2.363 178.711 176.300 0.080 0.000 0.990 374 D CA 1.746 55.778 54.000 0.053 0.000 0.839 374 D CB -0.175 40.647 40.800 0.037 0.000 0.948 374 D HN 0.387 nan 8.370 nan 0.000 0.460 375 S N 0.021 115.777 115.700 0.093 0.000 2.419 375 S HA -0.133 4.336 4.470 -0.000 0.000 0.235 375 S C 2.155 176.901 174.600 0.242 0.000 1.019 375 S CA 0.863 59.149 58.200 0.144 0.000 0.982 375 S CB -0.549 62.729 63.200 0.129 0.000 0.789 375 S HN 0.095 nan 8.310 nan 0.000 0.490 376 V N 2.903 122.934 119.914 0.195 0.000 2.469 376 V HA -0.158 3.962 4.120 -0.000 0.000 0.251 376 V C 2.199 178.432 176.094 0.232 0.000 1.064 376 V CA 2.128 64.566 62.300 0.230 0.000 1.066 376 V CB -0.782 31.086 31.823 0.076 0.000 0.667 376 V HN 0.824 nan 8.190 nan 0.000 0.461 377 K N 0.140 120.635 120.400 0.158 0.000 2.498 377 K HA 0.180 4.499 4.320 -0.000 0.000 0.207 377 K C 1.616 178.285 176.600 0.115 0.000 1.033 377 K CA 0.678 57.042 56.287 0.129 0.000 1.138 377 K CB 0.184 32.737 32.500 0.088 0.000 0.860 377 K HN 0.414 nan 8.250 nan 0.000 0.490 378 S N 0.974 116.760 115.700 0.143 0.000 2.402 378 S HA -0.193 4.277 4.470 -0.000 0.000 0.233 378 S C 0.979 175.599 174.600 0.034 0.000 1.030 378 S CA 1.496 59.740 58.200 0.074 0.000 1.003 378 S CB -0.275 62.952 63.200 0.045 0.000 0.813 378 S HN 0.315 nan 8.310 nan 0.000 0.477 379 D N 0.453 120.887 120.400 0.057 0.000 2.349 379 D HA 0.266 4.906 4.640 -0.000 0.000 0.214 379 D C 0.068 176.405 176.300 0.061 0.000 1.063 379 D CA 0.234 54.249 54.000 0.026 0.000 0.847 379 D CB 0.048 40.852 40.800 0.006 0.000 0.933 379 D HN 0.359 nan 8.370 nan 0.000 0.513 380 M N 0.464 120.102 119.600 0.063 0.000 2.277 380 M HA 0.247 4.727 4.480 -0.000 0.000 0.350 380 M C 0.168 176.486 176.300 0.031 0.000 1.180 380 M CA -0.058 55.281 55.300 0.066 0.000 1.103 380 M CB 1.184 33.816 32.600 0.054 0.000 1.577 380 M HN -0.316 nan 8.290 nan 0.000 0.459 381 T N 4.216 118.780 114.554 0.017 0.000 2.749 381 T HA 0.617 4.967 4.350 -0.000 0.000 0.287 381 T C 0.163 174.826 174.700 -0.061 0.000 0.970 381 T CA -0.326 61.764 62.100 -0.017 0.000 0.980 381 T CB 0.404 69.261 68.868 -0.018 0.000 0.924 381 T HN 0.423 nan 8.240 nan 0.000 0.456 382 I N 3.474 124.002 120.570 -0.070 0.000 2.388 382 I HA 0.302 4.471 4.170 -0.000 0.000 0.281 382 I C 0.700 176.747 176.117 -0.117 0.000 1.046 382 I CA -0.483 60.732 61.300 -0.140 0.000 1.187 382 I CB 0.684 38.640 38.000 -0.074 0.000 1.351 382 I HN 0.281 nan 8.210 nan 0.000 0.472 383 R N 5.026 125.427 120.500 -0.165 0.000 2.288 383 R HA 0.469 4.808 4.340 -0.000 0.000 0.330 383 R C 0.762 177.027 176.300 -0.059 0.000 1.069 383 R CA 0.702 56.743 56.100 -0.099 0.000 0.941 383 R CB 0.520 30.762 30.300 -0.095 0.000 0.998 383 R HN 0.930 nan 8.270 nan 0.000 0.452 384 G N 2.216 111.041 108.800 0.041 0.000 2.499 384 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.232 384 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.232 384 G C -0.778 174.274 174.900 0.254 0.000 1.251 384 G CA -0.237 44.940 45.100 0.128 0.000 0.917 384 G HN 0.591 nan 8.290 nan 0.000 0.580 385 T N -0.093 114.632 114.554 0.285 0.000 2.841 385 T HA 0.666 5.016 4.350 -0.000 0.000 0.285 385 T C -2.988 171.663 174.700 -0.081 0.000 0.991 385 T CA -1.335 60.856 62.100 0.152 0.000 0.966 385 T CB 2.408 71.307 68.868 0.052 0.000 0.962 385 T HN 0.503 nan 8.240 nan 0.000 0.438 386 P HA 0.247 nan 4.420 nan 0.000 0.262 386 P C 1.299 178.333 177.300 -0.444 0.000 1.182 386 P CA 1.265 63.770 63.100 -0.992 0.000 0.761 386 P CB 0.232 31.560 31.700 -0.621 0.000 0.795 387 G N 2.035 110.609 108.800 -0.377 0.000 2.320 387 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.242 387 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.242 387 G C 0.249 175.097 174.900 -0.087 0.000 1.033 387 G CA -0.152 44.846 45.100 -0.169 0.000 0.620 387 G HN 0.550 nan 8.290 nan 0.000 0.517 388 E N -0.152 120.006 120.200 -0.070 0.000 2.349 388 E HA 0.510 4.859 4.350 -0.000 0.000 0.262 388 E C 1.381 178.004 176.600 0.037 0.000 1.088 388 E CA -0.803 55.594 56.400 -0.005 0.000 0.899 388 E CB 0.893 30.599 29.700 0.010 0.000 1.044 388 E HN 0.053 nan 8.360 nan 0.000 0.420 389 L N 1.715 122.959 121.223 0.035 0.000 2.043 389 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 389 L C 2.142 179.047 176.870 0.058 0.000 1.075 389 L CA 2.339 57.202 54.840 0.038 0.000 0.752 389 L CB -0.720 41.354 42.059 0.025 0.000 0.891 389 L HN 0.746 nan 8.230 nan 0.000 0.432 390 T N -5.401 109.196 114.554 0.071 0.000 3.069 390 T HA 0.022 4.372 4.350 -0.000 0.000 0.252 390 T C 0.656 175.413 174.700 0.096 0.000 1.053 390 T CA -0.500 61.639 62.100 0.066 0.000 0.964 390 T CB -0.721 68.169 68.868 0.038 0.000 1.005 390 T HN 0.086 nan 8.240 nan 0.000 0.532 391 Y N 2.977 123.275 120.300 -0.003 0.000 2.996 391 Y HA 0.100 4.650 4.550 -0.000 0.000 0.367 391 Y C 0.115 176.015 175.900 -0.001 0.000 1.251 391 Y CA 0.429 58.528 58.100 -0.002 0.000 1.614 391 Y CB -0.181 38.276 38.460 -0.005 0.000 1.123 391 Y HN 0.175 nan 8.280 nan 0.000 0.571 392 S N 4.319 119.804 115.700 -0.358 0.000 2.547 392 S HA 0.715 5.185 4.470 -0.000 0.000 0.281 392 S C -1.452 172.854 174.600 -0.491 0.000 1.118 392 S CA -0.801 57.211 58.200 -0.313 0.000 0.947 392 S CB 1.420 64.533 63.200 -0.146 0.000 1.053 392 S HN 0.442 nan 8.310 nan 0.000 0.482 393 V N 3.633 123.353 119.914 -0.324 0.000 2.444 393 V HA 0.765 4.885 4.120 -0.000 0.000 0.294 393 V C 0.045 176.109 176.094 -0.052 0.000 1.022 393 V CA -0.563 61.617 62.300 -0.200 0.000 0.850 393 V CB 1.439 33.188 31.823 -0.122 0.000 0.992 393 V HN 1.011 nan 8.190 nan 0.000 0.426 394 T N 1.649 116.197 114.554 -0.010 0.000 2.864 394 T HA 0.842 5.192 4.350 -0.000 0.000 0.299 394 T C -1.144 173.634 174.700 0.130 0.000 1.166 394 T CA -0.767 61.357 62.100 0.041 0.000 1.007 394 T CB 2.253 71.097 68.868 -0.040 0.000 1.219 394 T HN 0.870 nan 8.240 nan 0.000 0.506 395 Y N -1.564 118.726 120.300 -0.017 0.000 2.562 395 Y HA 0.738 5.287 4.550 -0.000 0.000 0.345 395 Y C -0.766 175.127 175.900 -0.012 0.000 1.045 395 Y CA -1.256 56.837 58.100 -0.012 0.000 1.028 395 Y CB 1.004 39.466 38.460 0.003 0.000 1.297 395 Y HN 0.677 nan 8.280 nan 0.000 0.463 396 T N 5.074 119.621 114.554 -0.011 0.000 2.747 396 T HA 0.335 4.684 4.350 -0.000 0.000 0.301 396 T C -2.750 171.947 174.700 -0.004 0.000 0.952 396 T CA -1.246 60.803 62.100 -0.086 0.000 0.983 396 T CB 0.343 69.193 68.868 -0.029 0.000 0.930 396 T HN 0.385 nan 8.240 nan 0.000 0.494 397 P HA 0.262 nan 4.420 nan 0.000 0.266 397 P C 1.072 178.407 177.300 0.059 0.000 1.215 397 P CA 0.586 63.728 63.100 0.070 0.000 0.763 397 P CB 0.325 32.018 31.700 -0.012 0.000 0.806 398 G N 2.202 111.052 108.800 0.083 0.000 2.176 398 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.253 398 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.253 398 G C 0.511 175.422 174.900 0.018 0.000 0.979 398 G CA -0.036 45.090 45.100 0.043 0.000 0.641 398 G HN 0.831 nan 8.290 nan 0.000 0.530 399 A N 0.176 123.005 122.820 0.016 0.000 2.409 399 A HA 0.694 5.014 4.320 -0.000 0.000 0.246 399 A C 1.692 179.264 177.584 -0.020 0.000 1.099 399 A CA 1.397 53.431 52.037 -0.004 0.000 0.789 399 A CB 0.371 19.369 19.000 -0.003 0.000 1.053 399 A HN 1.726 nan 8.150 nan 0.000 0.503 400 S N -1.664 114.018 115.700 -0.030 0.000 2.526 400 S HA -0.020 4.450 4.470 -0.000 0.000 0.220 400 S C 1.146 175.711 174.600 -0.058 0.000 1.017 400 S CA 0.795 58.970 58.200 -0.041 0.000 0.930 400 S CB -0.454 62.728 63.200 -0.031 0.000 0.856 400 S HN 0.864 nan 8.310 nan 0.000 0.497 401 T N 0.948 115.468 114.554 -0.056 0.000 3.055 401 T HA 0.155 4.505 4.350 -0.000 0.000 0.265 401 T C 0.461 175.098 174.700 -0.105 0.000 1.111 401 T CA -0.077 61.980 62.100 -0.071 0.000 1.118 401 T CB -0.644 68.191 68.868 -0.054 0.000 0.909 401 T HN 0.252 nan 8.240 nan 0.000 0.501 402 N N 2.406 121.045 118.700 -0.102 0.000 2.440 402 N HA 0.090 4.829 4.740 -0.000 0.000 0.265 402 N C 1.005 176.355 175.510 -0.266 0.000 1.239 402 N CA 0.029 52.990 53.050 -0.148 0.000 0.909 402 N CB 0.700 39.130 38.487 -0.096 0.000 1.066 402 N HN 0.224 nan 8.380 nan 0.000 0.474 403 K N 1.501 121.642 120.400 -0.433 0.000 2.366 403 K HA -0.001 4.319 4.320 -0.000 0.000 0.198 403 K C -0.140 175.871 176.600 -0.982 0.000 1.044 403 K CA 0.786 56.656 56.287 -0.696 0.000 0.973 403 K CB 0.118 32.109 32.500 -0.848 0.000 0.767 403 K HN 0.570 nan 8.250 nan 0.000 0.475 404 H N -0.029 118.716 119.070 -0.541 0.000 2.690 404 H HA 0.306 4.861 4.556 -0.000 0.000 0.368 404 H C -2.417 172.580 175.328 -0.553 0.000 1.150 404 H CA -2.715 52.827 56.048 -0.844 0.000 1.174 404 H CB 1.517 30.353 29.762 -1.544 0.000 1.684 404 H HN -0.137 nan 8.280 nan 0.000 0.538 405 P HA 0.001 nan 4.420 nan 0.000 0.272 405 P C 0.384 177.475 177.300 -0.348 0.000 1.230 405 P CA -0.199 62.703 63.100 -0.330 0.000 0.788 405 P CB 1.300 32.773 31.700 -0.378 0.000 0.949 406 D N 0.632 120.962 120.400 -0.117 0.000 2.149 406 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 406 D C 1.933 178.226 176.300 -0.011 0.000 0.990 406 D CA 1.300 55.299 54.000 -0.002 0.000 0.839 406 D CB -0.520 40.383 40.800 0.172 0.000 0.948 406 D HN 0.617 nan 8.370 nan 0.000 0.460 407 W N 0.318 121.683 121.300 0.109 0.000 2.342 407 W HA -0.163 4.496 4.660 -0.000 0.000 0.297 407 W C 1.983 178.569 176.519 0.111 0.000 1.213 407 W CA 0.258 57.663 57.345 0.101 0.000 1.251 407 W CB -1.370 28.148 29.460 0.095 0.000 1.136 407 W HN 0.069 nan 8.180 nan 0.000 0.526 408 W N 3.385 124.161 121.300 -0.875 0.000 2.380 408 W HA -0.169 4.491 4.660 -0.000 0.000 0.317 408 W C 1.968 178.197 176.519 -0.484 0.000 1.196 408 W CA 1.767 58.609 57.345 -0.839 0.000 1.307 408 W CB -1.069 27.695 29.460 -1.160 0.000 1.157 408 W HN -0.117 nan 8.180 nan 0.000 0.483 409 N N 1.009 119.625 118.700 -0.140 0.000 2.149 409 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 409 N C 1.519 176.657 175.510 -0.620 0.000 1.019 409 N CA 2.051 54.838 53.050 -0.438 0.000 0.857 409 N CB -0.652 37.311 38.487 -0.874 0.000 0.997 409 N HN 0.290 nan 8.380 nan 0.000 0.426 410 E N 1.381 121.302 120.200 -0.466 0.000 2.072 410 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 410 E C 1.606 178.221 176.600 0.026 0.000 0.985 410 E CA 1.322 57.684 56.400 -0.064 0.000 0.801 410 E CB 0.047 29.842 29.700 0.158 0.000 0.750 410 E HN 0.249 nan 8.360 nan 0.000 0.452 411 K N -0.462 119.946 120.400 0.014 0.000 2.057 411 K HA -0.079 4.240 4.320 -0.000 0.000 0.207 411 K C 2.099 178.698 176.600 -0.003 0.000 1.049 411 K CA 1.351 57.653 56.287 0.026 0.000 0.931 411 K CB -0.068 32.440 32.500 0.014 0.000 0.714 411 K HN 0.029 nan 8.250 nan 0.000 0.440 412 V N 1.812 121.687 119.914 -0.065 0.000 2.379 412 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 412 V C 2.351 178.473 176.094 0.047 0.000 1.044 412 V CA 1.554 63.832 62.300 -0.037 0.000 1.036 412 V CB -0.368 31.422 31.823 -0.055 0.000 0.664 412 V HN 0.330 nan 8.190 nan 0.000 0.453 413 K N 0.541 120.961 120.400 0.033 0.000 1.991 413 K HA -0.255 4.065 4.320 -0.000 0.000 0.212 413 K C 2.006 178.664 176.600 0.097 0.000 1.049 413 K CA 2.181 58.527 56.287 0.098 0.000 0.932 413 K CB -0.265 32.360 32.500 0.208 0.000 0.717 413 K HN 0.433 nan 8.250 nan 0.000 0.441 414 N N 0.247 119.009 118.700 0.103 0.000 2.166 414 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 414 N C 1.758 177.320 175.510 0.088 0.000 1.019 414 N CA 1.417 54.520 53.050 0.090 0.000 0.856 414 N CB -0.682 37.863 38.487 0.097 0.000 0.993 414 N HN 0.446 nan 8.380 nan 0.000 0.426 415 H N 0.843 119.932 119.070 0.032 0.000 2.293 415 H HA 0.075 4.631 4.556 -0.000 0.000 0.300 415 H C 2.002 177.358 175.328 0.047 0.000 1.082 415 H CA 1.812 57.880 56.048 0.033 0.000 1.308 415 H CB -0.131 29.571 29.762 -0.099 0.000 1.375 415 H HN 0.090 nan 8.280 nan 0.000 0.495 416 M N -0.744 118.820 119.600 -0.060 0.000 2.213 416 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 416 M C 1.840 178.173 176.300 0.054 0.000 1.062 416 M CA 1.161 56.445 55.300 -0.027 0.000 1.105 416 M CB 0.028 32.700 32.600 0.120 0.000 1.385 416 M HN 0.341 nan 8.290 nan 0.000 0.417 417 M N -0.521 119.107 119.600 0.047 0.000 2.334 417 M HA -0.063 4.416 4.480 -0.000 0.000 0.266 417 M C 1.940 178.217 176.300 -0.038 0.000 1.082 417 M CA 1.375 56.717 55.300 0.070 0.000 1.141 417 M CB -0.767 31.866 32.600 0.056 0.000 1.380 417 M HN 0.297 nan 8.290 nan 0.000 0.440 418 Q N -0.650 119.059 119.800 -0.152 0.000 2.354 418 Q HA 0.007 4.347 4.340 -0.000 0.000 0.203 418 Q C 0.070 175.705 176.000 -0.608 0.000 0.933 418 Q CA 0.786 56.383 55.803 -0.343 0.000 0.901 418 Q CB 0.509 29.032 28.738 -0.359 0.000 1.007 418 Q HN 0.579 nan 8.270 nan 0.000 0.495 419 H N 0.286 119.250 119.070 -0.178 0.000 2.379 419 H HA 0.236 4.792 4.556 -0.000 0.000 0.229 419 H C 0.325 175.538 175.328 -0.192 0.000 1.423 419 H CA -0.100 55.843 56.048 -0.175 0.000 1.375 419 H CB 0.526 30.127 29.762 -0.268 0.000 1.592 419 H HN 0.202 nan 8.280 nan 0.000 0.507 420 Q N 0.683 120.431 119.800 -0.085 0.000 2.364 420 Q HA -0.112 4.228 4.340 -0.000 0.000 0.207 420 Q C 1.865 177.790 176.000 -0.125 0.000 0.970 420 Q CA 0.937 56.644 55.803 -0.159 0.000 0.888 420 Q CB 0.413 29.008 28.738 -0.239 0.000 0.951 420 Q HN 0.541 nan 8.270 nan 0.000 0.469 421 E N 1.007 121.186 120.200 -0.034 0.000 2.435 421 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 421 E C -0.393 176.233 176.600 0.043 0.000 1.029 421 E CA 0.414 56.815 56.400 0.000 0.000 0.865 421 E CB 0.067 29.790 29.700 0.037 0.000 0.833 421 E HN 0.136 nan 8.360 nan 0.000 0.510 422 D N 2.182 122.620 120.400 0.063 0.000 2.249 422 D HA 0.126 4.765 4.640 -0.000 0.000 0.246 422 D C -1.616 174.724 176.300 0.067 0.000 1.114 422 D CA -2.137 51.930 54.000 0.111 0.000 0.854 422 D CB 1.589 42.480 40.800 0.153 0.000 1.132 422 D HN -0.150 nan 8.370 nan 0.000 0.461 423 P HA 0.121 nan 4.420 nan 0.000 0.249 423 P C -0.310 177.028 177.300 0.064 0.000 1.229 423 P CA 0.135 63.267 63.100 0.054 0.000 0.788 423 P CB 0.304 32.030 31.700 0.043 0.000 1.072 424 L N 1.738 123.011 121.223 0.084 0.000 2.334 424 L HA 0.386 4.726 4.340 -0.000 0.000 0.273 424 L C -1.307 175.609 176.870 0.075 0.000 1.013 424 L CA -2.265 52.605 54.840 0.050 0.000 0.816 424 L CB 2.563 44.627 42.059 0.008 0.000 1.278 424 L HN -0.305 nan 8.230 nan 0.000 0.431 425 P HA 0.061 nan 4.420 nan 0.000 0.240 425 P C 0.306 177.516 177.300 -0.151 0.000 1.190 425 P CA 0.543 63.663 63.100 0.033 0.000 0.781 425 P CB 0.494 32.206 31.700 0.020 0.000 0.931 426 I N 2.504 122.902 120.570 -0.288 0.000 2.471 426 I HA 0.170 4.340 4.170 -0.000 0.000 0.286 426 I C -2.086 173.559 176.117 -0.787 0.000 1.079 426 I CA -2.559 58.489 61.300 -0.421 0.000 1.398 426 I CB 0.300 38.131 38.000 -0.282 0.000 1.403 426 I HN -0.206 nan 8.210 nan 0.000 0.530 427 P HA -0.015 nan 4.420 nan 0.000 0.267 427 P C 0.340 177.381 177.300 -0.433 0.000 1.200 427 P CA 0.018 62.697 63.100 -0.700 0.000 0.772 427 P CB 0.337 31.889 31.700 -0.247 0.000 0.855 428 F N 0.959 120.743 119.950 -0.275 0.000 2.126 428 F HA -0.145 4.381 4.527 -0.000 0.000 0.299 428 F C 1.758 177.504 175.800 -0.089 0.000 1.096 428 F CA 1.601 59.508 58.000 -0.155 0.000 1.255 428 F CB -0.980 37.949 39.000 -0.118 0.000 0.997 428 F HN 0.399 nan 8.300 nan 0.000 0.479 429 E N -0.093 120.190 120.200 0.137 0.000 2.419 429 E HA -0.005 4.345 4.350 -0.000 0.000 0.190 429 E C -0.264 176.358 176.600 0.036 0.000 1.040 429 E CA -0.162 56.289 56.400 0.084 0.000 0.900 429 E CB -0.370 29.383 29.700 0.088 0.000 1.054 429 E HN 0.237 nan 8.360 nan 0.000 0.462 430 D N 2.626 123.026 120.400 -0.001 0.000 2.450 430 D HA 0.036 4.676 4.640 -0.000 0.000 0.247 430 D C -2.291 174.027 176.300 0.030 0.000 1.162 430 D CA -1.530 52.459 54.000 -0.018 0.000 0.879 430 D CB 0.811 41.560 40.800 -0.084 0.000 1.163 430 D HN -0.126 nan 8.370 nan 0.000 0.472 431 P HA 0.050 nan 4.420 nan 0.000 0.271 431 P C -0.531 176.881 177.300 0.186 0.000 1.233 431 P CA -0.335 62.864 63.100 0.166 0.000 0.789 431 P CB 0.382 32.196 31.700 0.190 0.000 0.951 432 E N 1.807 122.131 120.200 0.206 0.000 2.418 432 E HA 0.102 4.451 4.350 -0.000 0.000 0.261 432 E C -2.230 174.384 176.600 0.024 0.000 1.070 432 E CA -1.798 54.640 56.400 0.063 0.000 0.931 432 E CB -1.129 28.558 29.700 -0.021 0.000 0.954 432 E HN 0.314 nan 8.360 nan 0.000 0.439 433 P HA 0.064 nan 4.420 nan 0.000 0.275 433 P C -0.438 176.861 177.300 -0.002 0.000 1.227 433 P CA -0.049 63.108 63.100 0.095 0.000 0.781 433 P CB 0.585 32.300 31.700 0.024 0.000 0.906 434 Q N 1.511 121.413 119.800 0.170 0.000 3.484 434 Q HA 0.327 4.667 4.340 -0.000 0.000 0.255 434 Q C -0.974 175.114 176.000 0.147 0.000 0.909 434 Q CA -0.379 55.396 55.803 -0.047 0.000 0.774 434 Q CB 1.379 29.839 28.738 -0.464 0.000 1.431 434 Q HN 0.208 nan 8.270 nan 0.000 0.423 435 V N 0.616 120.577 119.914 0.079 0.000 2.715 435 V HA 0.743 4.863 4.120 -0.000 0.000 0.310 435 V C 0.067 176.182 176.094 0.035 0.000 1.054 435 V CA -0.480 61.869 62.300 0.082 0.000 0.928 435 V CB 2.143 33.962 31.823 -0.006 0.000 1.007 435 V HN 0.475 nan 8.190 nan 0.000 0.437 436 T N 1.628 116.235 114.554 0.088 0.000 2.916 436 T HA 0.476 4.826 4.350 -0.000 0.000 0.305 436 T C -0.936 173.714 174.700 -0.083 0.000 1.119 436 T CA -0.308 61.786 62.100 -0.009 0.000 1.008 436 T CB 1.816 70.659 68.868 -0.041 0.000 1.129 436 T HN 0.828 nan 8.240 nan 0.000 0.480 437 T N 4.856 119.204 114.554 -0.343 0.000 2.770 437 T HA 0.614 4.964 4.350 -0.000 0.000 0.283 437 T C -0.115 174.432 174.700 -0.255 0.000 0.988 437 T CA -0.603 61.126 62.100 -0.619 0.000 0.957 437 T CB -0.038 67.982 68.868 -1.413 0.000 0.930 437 T HN 0.525 nan 8.240 nan 0.000 0.443 438 L N 4.598 125.746 121.223 -0.125 0.000 2.436 438 L HA 0.418 4.758 4.340 -0.000 0.000 0.265 438 L C 0.694 177.566 176.870 0.003 0.000 1.168 438 L CA -0.955 53.898 54.840 0.021 0.000 0.815 438 L CB 0.344 42.409 42.059 0.010 0.000 1.109 438 L HN 0.647 nan 8.230 nan 0.000 0.462 439 F N 2.869 122.739 119.950 -0.133 0.000 2.623 439 F HA -0.075 4.452 4.527 -0.000 0.000 0.381 439 F C 0.246 175.774 175.800 -0.453 0.000 1.081 439 F CA 0.661 58.481 58.000 -0.301 0.000 1.293 439 F CB 0.198 39.077 39.000 -0.203 0.000 1.006 439 F HN 0.394 nan 8.300 nan 0.000 0.578 440 Q N 6.163 125.441 119.800 -0.869 0.000 2.462 440 Q HA 0.240 4.580 4.340 -0.000 0.000 0.285 440 Q C -2.031 173.508 176.000 -0.770 0.000 1.035 440 Q CA -1.734 53.661 55.803 -0.681 0.000 0.799 440 Q CB 1.465 29.692 28.738 -0.851 0.000 1.452 440 Q HN 0.243 nan 8.270 nan 0.000 0.404 441 P HA -0.203 nan 4.420 nan 0.000 0.217 441 P C 1.098 178.164 177.300 -0.389 0.000 1.151 441 P CA 2.089 65.001 63.100 -0.313 0.000 0.849 441 P CB 0.283 31.896 31.700 -0.145 0.000 0.787 442 S N -1.974 113.502 115.700 -0.373 0.000 2.527 442 S HA -0.067 4.402 4.470 -0.000 0.000 0.222 442 S C 0.460 174.868 174.600 -0.320 0.000 0.985 442 S CA 0.064 58.127 58.200 -0.228 0.000 0.921 442 S CB -1.148 62.025 63.200 -0.045 0.000 0.772 442 S HN 0.427 nan 8.310 nan 0.000 0.529 443 H N -1.366 117.247 119.070 -0.762 0.000 2.661 443 H HA 0.460 5.016 4.556 -0.000 0.000 0.243 443 H C -3.322 170.839 175.328 -1.944 0.000 1.410 443 H CA -1.718 53.461 56.048 -1.449 0.000 1.509 443 H CB 0.420 29.631 29.762 -0.920 0.000 1.761 443 H HN 0.046 nan 8.280 nan 0.000 0.576 444 P HA 0.108 nan 4.420 nan 0.000 0.220 444 P C -1.266 175.351 177.300 -1.140 0.000 1.806 444 P CA 0.135 61.992 63.100 -2.073 0.000 0.976 444 P CB -1.024 30.037 31.700 -1.065 0.000 1.952 445 W N -0.202 120.783 121.300 -0.524 0.000 3.167 445 W HA 0.522 5.182 4.660 -0.000 0.000 0.324 445 W C -0.661 175.960 176.519 0.169 0.000 1.230 445 W CA -1.269 56.104 57.345 0.047 0.000 1.184 445 W CB 0.059 29.565 29.460 0.076 0.000 1.414 445 W HN 0.009 nan 8.180 nan 0.000 0.551 446 H N 1.189 120.539 119.070 0.468 0.000 2.551 446 H HA 0.665 5.220 4.556 -0.000 0.000 0.358 446 H C -0.109 175.393 175.328 0.291 0.000 1.151 446 H CA 0.564 56.780 56.048 0.279 0.000 1.374 446 H CB 1.325 31.170 29.762 0.139 0.000 1.473 446 H HN 0.569 nan 8.280 nan 0.000 0.574 447 T N 1.939 116.151 114.554 -0.569 0.000 2.893 447 T HA 0.527 4.877 4.350 -0.000 0.000 0.293 447 T C -0.840 173.598 174.700 -0.437 0.000 1.027 447 T CA -1.121 60.708 62.100 -0.451 0.000 0.988 447 T CB 1.690 70.154 68.868 -0.673 0.000 1.043 447 T HN 0.655 nan 8.240 nan 0.000 0.461 448 Q N 1.677 121.439 119.800 -0.064 0.000 2.285 448 Q HA 0.578 4.918 4.340 -0.000 0.000 0.269 448 Q C -1.262 174.679 176.000 -0.098 0.000 1.030 448 Q CA -0.643 55.027 55.803 -0.222 0.000 0.788 448 Q CB 2.711 31.180 28.738 -0.449 0.000 1.266 448 Q HN 0.718 nan 8.270 nan 0.000 0.438 449 I N 3.613 124.079 120.570 -0.175 0.000 2.495 449 I HA 0.395 4.564 4.170 -0.000 0.000 0.277 449 I C -0.443 175.582 176.117 -0.154 0.000 1.045 449 I CA -0.304 60.758 61.300 -0.396 0.000 1.135 449 I CB 0.513 38.141 38.000 -0.619 0.000 1.241 449 I HN 0.777 nan 8.210 nan 0.000 0.469 450 H N 3.968 122.853 119.070 -0.308 0.000 2.954 450 H HA 0.645 5.201 4.556 -0.000 0.000 0.262 450 H C -1.244 174.002 175.328 -0.137 0.000 1.515 450 H CA -1.334 54.601 56.048 -0.189 0.000 1.179 450 H CB 1.388 31.063 29.762 -0.146 0.000 1.888 450 H HN 0.131 nan 8.280 nan 0.000 0.645 451 R N 1.490 121.788 120.500 -0.336 0.000 2.514 451 R HA 0.263 4.602 4.340 -0.000 0.000 0.296 451 R C -1.591 174.482 176.300 -0.379 0.000 1.012 451 R CA -0.620 55.275 56.100 -0.342 0.000 0.897 451 R CB 1.681 31.913 30.300 -0.113 0.000 1.184 451 R HN 0.873 nan 8.270 nan 0.000 0.440 452 D N 0.807 120.978 120.400 -0.382 0.000 2.467 452 D HA 0.483 5.122 4.640 -0.000 0.000 0.245 452 D C -0.241 176.042 176.300 -0.027 0.000 1.038 452 D CA -0.864 53.027 54.000 -0.181 0.000 1.038 452 D CB 0.658 41.380 40.800 -0.131 0.000 1.278 452 D HN 0.387 nan 8.370 nan 0.000 0.564 453 A N -0.275 122.554 122.820 0.016 0.000 2.587 453 A HA 0.349 4.669 4.320 -0.000 0.000 0.235 453 A C -0.726 176.932 177.584 0.124 0.000 1.044 453 A CA 0.272 52.367 52.037 0.097 0.000 0.754 453 A CB -0.678 18.406 19.000 0.141 0.000 0.968 453 A HN 0.488 nan 8.150 nan 0.000 0.509 454 F N 1.492 121.380 119.950 -0.103 0.000 2.619 454 F HA 0.508 5.034 4.527 -0.000 0.000 0.308 454 F C 0.207 175.815 175.800 -0.319 0.000 1.097 454 F CA -0.146 57.671 58.000 -0.304 0.000 0.953 454 F CB 2.068 40.739 39.000 -0.548 0.000 1.287 454 F HN 0.589 nan 8.300 nan 0.000 0.446 455 S N 3.928 119.054 115.700 -0.956 0.000 2.466 455 S HA 0.453 4.923 4.470 -0.000 0.000 0.313 455 S C -1.199 173.033 174.600 -0.614 0.000 1.078 455 S CA -0.446 57.412 58.200 -0.571 0.000 1.115 455 S CB -0.372 62.571 63.200 -0.428 0.000 1.006 455 S HN 0.462 nan 8.310 nan 0.000 0.487 456 Y N 2.360 122.666 120.300 0.009 0.000 2.359 456 Y HA 0.480 5.030 4.550 -0.000 0.000 0.330 456 Y C 1.551 177.493 175.900 0.070 0.000 1.143 456 Y CA 0.269 58.481 58.100 0.187 0.000 1.318 456 Y CB 0.424 39.027 38.460 0.239 0.000 1.234 456 Y HN 0.867 nan 8.280 nan 0.000 0.522 457 G N 1.106 110.044 108.800 0.230 0.000 2.664 457 G HA2 0.242 4.202 3.960 -0.000 0.000 0.242 457 G HA3 0.242 4.202 3.960 -0.000 0.000 0.242 457 G C 0.952 175.937 174.900 0.140 0.000 1.225 457 G CA -0.057 45.125 45.100 0.137 0.000 0.849 457 G HN 0.939 nan 8.290 nan 0.000 0.581 458 A N 0.596 123.469 122.820 0.087 0.000 1.927 458 A HA -0.103 4.216 4.320 -0.000 0.000 0.220 458 A C 2.548 180.172 177.584 0.068 0.000 1.185 458 A CA 2.225 54.304 52.037 0.069 0.000 0.639 458 A CB -0.622 18.406 19.000 0.046 0.000 0.820 458 A HN 0.613 nan 8.150 nan 0.000 0.451 459 V N -0.312 119.645 119.914 0.072 0.000 2.453 459 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 459 V C 2.600 178.737 176.094 0.072 0.000 1.048 459 V CA 2.043 64.380 62.300 0.062 0.000 1.049 459 V CB -0.811 31.047 31.823 0.058 0.000 0.672 459 V HN 0.644 nan 8.190 nan 0.000 0.457 460 Q N -0.455 119.416 119.800 0.117 0.000 2.124 460 Q HA -0.250 4.089 4.340 -0.000 0.000 0.202 460 Q C 2.209 178.232 176.000 0.039 0.000 0.977 460 Q CA 1.384 57.269 55.803 0.136 0.000 0.850 460 Q CB -0.221 28.713 28.738 0.328 0.000 0.901 460 Q HN 0.642 nan 8.270 nan 0.000 0.429 461 Q N -0.116 119.720 119.800 0.060 0.000 2.508 461 Q HA -0.092 4.248 4.340 -0.000 0.000 0.214 461 Q C 1.873 177.862 176.000 -0.019 0.000 0.979 461 Q CA 0.511 56.311 55.803 -0.005 0.000 0.911 461 Q CB -0.017 28.748 28.738 0.045 0.000 0.969 461 Q HN 0.186 nan 8.270 nan 0.000 0.504 462 S N -0.143 115.557 115.700 -0.000 0.000 2.453 462 S HA -0.021 4.448 4.470 -0.000 0.000 0.231 462 S C 0.832 175.422 174.600 -0.018 0.000 1.005 462 S CA 0.184 58.383 58.200 -0.002 0.000 0.949 462 S CB 0.252 63.460 63.200 0.012 0.000 0.774 462 S HN 0.145 nan 8.310 nan 0.000 0.510 463 I N 2.807 123.353 120.570 -0.039 0.000 2.365 463 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 463 I C 0.348 176.415 176.117 -0.082 0.000 1.004 463 I CA -0.874 60.396 61.300 -0.050 0.000 1.311 463 I CB 0.825 38.795 38.000 -0.050 0.000 1.401 463 I HN 0.173 nan 8.210 nan 0.000 0.491 464 D N 4.211 124.582 120.400 -0.048 0.000 2.458 464 D HA -0.036 4.604 4.640 -0.000 0.000 0.243 464 D C 1.121 177.378 176.300 -0.072 0.000 1.146 464 D CA 0.123 54.099 54.000 -0.040 0.000 0.877 464 D CB 1.204 42.006 40.800 0.003 0.000 1.176 464 D HN 0.630 nan 8.370 nan 0.000 0.461 465 S N 4.142 119.788 115.700 -0.090 0.000 2.442 465 S HA -0.161 4.309 4.470 -0.000 0.000 0.236 465 S C 1.654 176.224 174.600 -0.050 0.000 1.007 465 S CA 0.484 58.616 58.200 -0.114 0.000 0.965 465 S CB -0.048 63.099 63.200 -0.089 0.000 0.773 465 S HN 0.544 nan 8.310 nan 0.000 0.504 466 R N 0.816 121.303 120.500 -0.021 0.000 2.241 466 R HA 0.143 4.483 4.340 -0.000 0.000 0.224 466 R C 1.655 177.939 176.300 -0.026 0.000 1.101 466 R CA 1.056 57.144 56.100 -0.022 0.000 0.995 466 R CB -0.545 29.736 30.300 -0.031 0.000 0.870 466 R HN 0.456 nan 8.270 nan 0.000 0.463 467 L N 0.107 121.315 121.223 -0.026 0.000 2.446 467 L HA 0.158 4.498 4.340 -0.000 0.000 0.219 467 L C 0.681 177.549 176.870 -0.003 0.000 1.116 467 L CA 0.067 54.898 54.840 -0.014 0.000 0.844 467 L CB 0.133 42.183 42.059 -0.015 0.000 0.970 467 L HN 0.051 nan 8.230 nan 0.000 0.457 468 I N 0.114 120.675 120.570 -0.015 0.000 2.440 468 I HA 0.235 4.405 4.170 -0.000 0.000 0.294 468 I C -0.576 175.552 176.117 0.018 0.000 0.995 468 I CA -0.382 60.922 61.300 0.006 0.000 1.306 468 I CB 1.854 39.839 38.000 -0.025 0.000 1.407 468 I HN -0.299 nan 8.210 nan 0.000 0.501 469 V N 4.801 124.745 119.914 0.050 0.000 2.638 469 V HA 0.278 4.398 4.120 -0.000 0.000 0.306 469 V C -0.848 175.231 176.094 -0.025 0.000 1.052 469 V CA -0.905 61.383 62.300 -0.020 0.000 0.885 469 V CB 2.041 33.854 31.823 -0.017 0.000 0.999 469 V HN 0.603 nan 8.190 nan 0.000 0.424 470 D N 2.889 123.204 120.400 -0.142 0.000 2.302 470 D HA 0.386 5.026 4.640 -0.000 0.000 0.248 470 D C -0.889 175.312 176.300 -0.166 0.000 1.094 470 D CA 0.094 54.042 54.000 -0.088 0.000 0.897 470 D CB 1.127 41.889 40.800 -0.062 0.000 1.200 470 D HN 0.431 nan 8.370 nan 0.000 0.429 471 W N 1.067 122.322 121.300 -0.075 0.000 2.600 471 W HA 0.454 5.114 4.660 -0.000 0.000 0.325 471 W C 0.231 176.765 176.519 0.026 0.000 1.034 471 W CA -0.850 56.494 57.345 -0.001 0.000 1.226 471 W CB 1.345 30.689 29.460 -0.194 0.000 1.379 471 W HN -0.068 nan 8.180 nan 0.000 0.466 472 R N 2.927 123.640 120.500 0.356 0.000 2.502 472 R HA 0.507 4.847 4.340 -0.000 0.000 0.298 472 R C -1.608 174.856 176.300 0.272 0.000 1.018 472 R CA -0.810 55.368 56.100 0.131 0.000 0.899 472 R CB 1.676 31.997 30.300 0.034 0.000 1.181 472 R HN 0.175 nan 8.270 nan 0.000 0.444 473 F N 2.793 122.585 119.950 -0.263 0.000 2.495 473 F HA 0.547 5.073 4.527 -0.000 0.000 0.327 473 F C -0.396 175.305 175.800 -0.165 0.000 1.103 473 F CA -1.567 56.398 58.000 -0.057 0.000 0.949 473 F CB 1.245 40.153 39.000 -0.154 0.000 1.142 473 F HN 0.294 nan 8.300 nan 0.000 0.457 474 F N 0.999 121.142 119.950 0.322 0.000 2.507 474 F HA 0.656 5.183 4.527 -0.000 0.000 0.328 474 F C 0.566 176.575 175.800 0.348 0.000 1.136 474 F CA -1.140 57.041 58.000 0.303 0.000 0.930 474 F CB 1.624 40.852 39.000 0.379 0.000 1.166 474 F HN 0.518 nan 8.300 nan 0.000 0.436 475 G N 2.027 111.073 108.800 0.410 0.000 2.477 475 G HA2 0.665 4.625 3.960 -0.000 0.000 0.304 475 G HA3 0.665 4.625 3.960 -0.000 0.000 0.304 475 G C -0.887 174.204 174.900 0.319 0.000 1.175 475 G CA -1.009 44.315 45.100 0.373 0.000 0.907 475 G HN 0.704 nan 8.290 nan 0.000 0.509 476 R N -0.884 119.798 120.500 0.304 0.000 2.540 476 R HA 0.703 5.043 4.340 -0.000 0.000 0.287 476 R C -1.013 175.386 176.300 0.166 0.000 0.980 476 R CA -0.636 55.564 56.100 0.168 0.000 0.966 476 R CB 1.460 31.875 30.300 0.193 0.000 1.106 476 R HN 0.284 nan 8.270 nan 0.000 0.480 477 T N 1.569 116.186 114.554 0.105 0.000 2.792 477 T HA 0.133 4.483 4.350 -0.000 0.000 0.280 477 T C -0.750 174.029 174.700 0.131 0.000 0.990 477 T CA -0.635 61.578 62.100 0.188 0.000 0.960 477 T CB 1.383 70.439 68.868 0.314 0.000 0.939 477 T HN 0.653 nan 8.240 nan 0.000 0.439 478 E N 4.382 124.664 120.200 0.137 0.000 2.415 478 E HA 0.107 4.457 4.350 -0.000 0.000 0.263 478 E C -2.150 174.526 176.600 0.127 0.000 0.995 478 E CA -1.588 54.882 56.400 0.117 0.000 0.915 478 E CB 0.485 30.246 29.700 0.100 0.000 0.951 478 E HN 0.194 nan 8.360 nan 0.000 0.449 479 P HA 0.091 nan 4.420 nan 0.000 0.271 479 P C -1.198 176.252 177.300 0.250 0.000 1.226 479 P CA 0.178 63.417 63.100 0.232 0.000 0.765 479 P CB 0.625 32.487 31.700 0.269 0.000 0.835 480 K N 2.526 123.013 120.400 0.145 0.000 2.427 480 K HA 0.149 4.469 4.320 -0.000 0.000 0.252 480 K C 0.879 177.287 176.600 -0.321 0.000 0.931 480 K CA -0.634 55.649 56.287 -0.006 0.000 0.793 480 K CB 2.359 34.819 32.500 -0.066 0.000 1.211 480 K HN 0.451 nan 8.250 nan 0.000 0.426 481 E N 2.157 121.989 120.200 -0.614 0.000 2.153 481 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 481 E C 0.933 177.257 176.600 -0.461 0.000 0.988 481 E CA 1.407 57.175 56.400 -1.053 0.000 0.811 481 E CB 0.508 29.802 29.700 -0.677 0.000 0.746 481 E HN 0.531 nan 8.360 nan 0.000 0.466 482 E N 0.316 120.356 120.200 -0.265 0.000 2.427 482 E HA -0.088 4.261 4.350 -0.000 0.000 0.196 482 E C 0.000 176.528 176.600 -0.120 0.000 1.028 482 E CA 0.219 56.523 56.400 -0.160 0.000 0.864 482 E CB -0.215 29.410 29.700 -0.124 0.000 0.813 482 E HN 0.047 nan 8.360 nan 0.000 0.514 483 N N 1.969 120.584 118.700 -0.143 0.000 2.408 483 N HA 0.190 4.930 4.740 -0.000 0.000 0.257 483 N C -0.792 174.766 175.510 0.081 0.000 1.064 483 N CA 0.059 53.070 53.050 -0.065 0.000 0.952 483 N CB 1.092 39.479 38.487 -0.166 0.000 1.093 483 N HN 0.109 nan 8.380 nan 0.000 0.490 484 K N 1.096 121.608 120.400 0.187 0.000 2.477 484 K HA 0.470 4.790 4.320 -0.000 0.000 0.255 484 K C -1.224 175.544 176.600 0.280 0.000 0.952 484 K CA -0.928 55.493 56.287 0.224 0.000 0.826 484 K CB 2.365 34.996 32.500 0.218 0.000 1.331 484 K HN 0.165 nan 8.250 nan 0.000 0.437 485 L N 3.521 124.861 121.223 0.195 0.000 2.305 485 L HA 0.588 4.928 4.340 -0.000 0.000 0.284 485 L C -1.348 175.474 176.870 -0.079 0.000 1.013 485 L CA -0.046 54.749 54.840 -0.074 0.000 0.819 485 L CB 0.572 42.596 42.059 -0.058 0.000 1.227 485 L HN 0.728 nan 8.230 nan 0.000 0.417 486 W N 3.674 124.690 121.300 -0.474 0.000 2.992 486 W HA 0.638 5.297 4.660 -0.001 0.000 0.342 486 W C -2.199 173.868 176.519 -0.753 0.000 1.176 486 W CA -1.221 55.895 57.345 -0.382 0.000 1.118 486 W CB 0.904 30.294 29.460 -0.116 0.000 1.457 486 W HN 0.344 nan 8.180 nan 0.000 0.573 487 F N 1.606 121.743 119.950 0.313 0.000 2.529 487 F HA 0.348 4.874 4.527 -0.000 0.000 0.320 487 F C 0.792 176.751 175.800 0.264 0.000 1.118 487 F CA -0.943 57.126 58.000 0.116 0.000 0.915 487 F CB 2.111 41.158 39.000 0.078 0.000 1.161 487 F HN 0.271 nan 8.300 nan 0.000 0.445 488 S N 1.015 116.850 115.700 0.224 0.000 2.562 488 S HA 0.062 4.532 4.470 -0.000 0.000 0.281 488 S C 0.726 175.472 174.600 0.243 0.000 1.333 488 S CA -0.556 57.807 58.200 0.271 0.000 1.052 488 S CB 0.389 63.656 63.200 0.111 0.000 0.884 488 S HN 0.689 nan 8.310 nan 0.000 0.506 489 D N 2.809 123.341 120.400 0.220 0.000 2.340 489 D HA 0.122 4.762 4.640 -0.000 0.000 0.220 489 D C 0.922 177.284 176.300 0.105 0.000 1.039 489 D CA 0.413 54.498 54.000 0.143 0.000 0.866 489 D CB 0.183 41.050 40.800 0.111 0.000 0.913 489 D HN 0.495 nan 8.370 nan 0.000 0.523 490 K N -0.326 120.139 120.400 0.109 0.000 2.485 490 K HA 0.132 4.452 4.320 -0.000 0.000 0.200 490 K C 0.062 176.705 176.600 0.072 0.000 1.344 490 K CA -0.177 56.158 56.287 0.080 0.000 0.948 490 K CB 0.914 33.460 32.500 0.077 0.000 1.454 490 K HN -0.040 nan 8.250 nan 0.000 0.502 491 I N 3.326 123.941 120.570 0.075 0.000 2.519 491 I HA 0.121 4.291 4.170 -0.000 0.000 0.287 491 I C 0.568 176.721 176.117 0.061 0.000 1.047 491 I CA 0.050 61.383 61.300 0.055 0.000 1.381 491 I CB 1.050 39.071 38.000 0.034 0.000 1.417 491 I HN 0.241 nan 8.210 nan 0.000 0.540 492 T N 0.884 115.471 114.554 0.055 0.000 2.916 492 T HA 0.585 4.935 4.350 -0.000 0.000 0.292 492 T C -0.392 174.347 174.700 0.065 0.000 1.055 492 T CA -0.903 61.238 62.100 0.069 0.000 1.009 492 T CB 2.405 71.311 68.868 0.062 0.000 1.118 492 T HN 0.552 nan 8.240 nan 0.000 0.497 493 D N 0.814 121.270 120.400 0.094 0.000 2.469 493 D HA 0.488 5.128 4.640 -0.000 0.000 0.278 493 D C 1.663 178.006 176.300 0.071 0.000 1.231 493 D CA -0.380 53.680 54.000 0.100 0.000 1.075 493 D CB -0.162 40.738 40.800 0.166 0.000 1.121 493 D HN 0.658 nan 8.370 nan 0.000 0.571 494 A N -1.547 121.306 122.820 0.056 0.000 2.121 494 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 494 A C 1.184 178.588 177.584 -0.301 0.000 1.154 494 A CA 0.848 52.812 52.037 -0.123 0.000 0.679 494 A CB -0.940 17.946 19.000 -0.189 0.000 0.795 494 A HN 0.541 nan 8.150 nan 0.000 0.458 495 Y N -1.294 119.021 120.300 0.026 0.000 2.607 495 Y HA 0.244 4.794 4.550 -0.000 0.000 0.266 495 Y C 0.715 176.642 175.900 0.045 0.000 1.178 495 Y CA -0.196 57.921 58.100 0.028 0.000 1.226 495 Y CB -0.331 38.127 38.460 -0.003 0.000 1.144 495 Y HN 0.442 nan 8.280 nan 0.000 0.528 496 N N -0.228 118.547 118.700 0.126 0.000 2.747 496 N HA -0.165 4.574 4.740 -0.000 0.000 0.249 496 N C -0.655 174.914 175.510 0.099 0.000 1.107 496 N CA 0.518 53.623 53.050 0.092 0.000 0.707 496 N CB -0.502 38.030 38.487 0.074 0.000 1.054 496 N HN 0.128 nan 8.380 nan 0.000 0.555 497 M N -0.343 119.331 119.600 0.123 0.000 2.573 497 M HA 0.436 4.915 4.480 -0.000 0.000 0.309 497 M C -2.106 174.261 176.300 0.112 0.000 1.202 497 M CA -1.992 53.366 55.300 0.097 0.000 0.975 497 M CB 0.410 33.062 32.600 0.087 0.000 1.600 497 M HN -0.257 nan 8.290 nan 0.000 0.479 498 P HA 0.007 nan 4.420 nan 0.000 0.263 498 P C -0.675 176.790 177.300 0.276 0.000 1.195 498 P CA 0.071 63.275 63.100 0.173 0.000 0.762 498 P CB 0.247 32.053 31.700 0.177 0.000 0.799 499 Q N 7.030 126.935 119.800 0.174 0.000 2.297 499 Q HA 0.197 4.537 4.340 -0.000 0.000 0.267 499 Q C -2.311 173.652 176.000 -0.061 0.000 1.006 499 Q CA -2.078 53.773 55.803 0.080 0.000 0.896 499 Q CB -0.120 28.613 28.738 -0.007 0.000 1.186 499 Q HN 0.279 nan 8.270 nan 0.000 0.392 500 P HA 0.129 nan 4.420 nan 0.000 0.271 500 P C -1.063 175.729 177.300 -0.847 0.000 1.216 500 P CA -0.124 62.540 63.100 -0.727 0.000 0.771 500 P CB 1.071 32.463 31.700 -0.513 0.000 0.864 501 T N 3.041 116.866 114.554 -1.216 0.000 2.916 501 T HA 0.527 4.877 4.350 -0.000 0.000 0.298 501 T C -0.722 173.293 174.700 -1.141 0.000 1.031 501 T CA -0.097 61.299 62.100 -1.175 0.000 0.993 501 T CB 0.545 68.371 68.868 -1.737 0.000 1.045 501 T HN 0.036 nan 8.240 nan 0.000 0.454 502 F N 1.923 121.598 119.950 -0.458 0.000 2.458 502 F HA 0.523 5.050 4.527 -0.000 0.000 0.330 502 F C 0.541 176.300 175.800 -0.069 0.000 1.082 502 F CA -1.119 56.747 58.000 -0.223 0.000 0.995 502 F CB 1.299 40.212 39.000 -0.146 0.000 1.170 502 F HN 0.400 nan 8.300 nan 0.000 0.478 503 D N 3.404 123.985 120.400 0.301 0.000 2.408 503 D HA 0.207 4.847 4.640 -0.000 0.000 0.261 503 D C -1.743 174.693 176.300 0.227 0.000 1.190 503 D CA -0.051 54.105 54.000 0.261 0.000 0.910 503 D CB 0.273 41.254 40.800 0.302 0.000 1.097 503 D HN 0.288 nan 8.370 nan 0.000 0.522 504 F N 3.079 123.024 119.950 -0.008 0.000 2.578 504 F HA 0.603 5.130 4.527 -0.000 0.000 0.311 504 F C -1.050 174.643 175.800 -0.178 0.000 1.094 504 F CA -0.613 57.314 58.000 -0.122 0.000 0.923 504 F CB 1.420 40.277 39.000 -0.238 0.000 1.230 504 F HN 0.014 nan 8.300 nan 0.000 0.450 505 R N 4.032 124.049 120.500 -0.806 0.000 2.740 505 R HA 0.348 4.688 4.340 -0.000 0.000 0.273 505 R C -1.701 174.023 176.300 -0.960 0.000 0.998 505 R CA -0.949 54.803 56.100 -0.581 0.000 0.900 505 R CB 1.756 31.909 30.300 -0.246 0.000 1.223 505 R HN 0.582 nan 8.270 nan 0.000 0.466 506 F N 2.635 122.417 119.950 -0.279 0.000 2.543 506 F HA 0.194 4.720 4.527 -0.000 0.000 0.375 506 F C -1.343 174.349 175.800 -0.180 0.000 1.075 506 F CA -1.189 56.712 58.000 -0.165 0.000 1.225 506 F CB -0.075 38.940 39.000 0.024 0.000 1.099 506 F HN 0.119 nan 8.300 nan 0.000 0.561 507 P HA 0.136 nan 4.420 nan 0.000 0.268 507 P C -0.607 176.712 177.300 0.032 0.000 1.205 507 P CA -0.243 62.840 63.100 -0.028 0.000 0.771 507 P CB 0.560 32.254 31.700 -0.009 0.000 0.858 508 A N 2.505 125.328 122.820 0.005 0.000 2.448 508 A HA 0.521 4.841 4.320 -0.000 0.000 0.239 508 A C 1.104 178.704 177.584 0.028 0.000 1.080 508 A CA 0.950 52.996 52.037 0.015 0.000 0.779 508 A CB -1.039 17.961 19.000 0.001 0.000 1.026 508 A HN 0.837 nan 8.150 nan 0.000 0.499 509 G N 0.117 108.936 108.800 0.031 0.000 2.513 509 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.227 509 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.227 509 G C 0.964 175.896 174.900 0.053 0.000 1.176 509 G CA 0.688 45.811 45.100 0.038 0.000 0.967 509 G HN 1.042 nan 8.290 nan 0.000 0.587 510 R N -0.144 120.394 120.500 0.063 0.000 2.103 510 R HA -0.088 4.252 4.340 -0.000 0.000 0.242 510 R C 2.745 179.105 176.300 0.099 0.000 1.142 510 R CA 2.771 58.919 56.100 0.079 0.000 0.960 510 R CB -0.849 29.500 30.300 0.082 0.000 0.858 510 R HN 0.605 nan 8.270 nan 0.000 0.439 511 T N -0.135 114.482 114.554 0.105 0.000 2.746 511 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 511 T C 1.897 176.657 174.700 0.100 0.000 1.039 511 T CA 1.719 63.898 62.100 0.133 0.000 1.142 511 T CB -0.116 68.853 68.868 0.169 0.000 0.866 511 T HN 0.265 nan 8.240 nan 0.000 0.444 512 S N 0.557 116.301 115.700 0.073 0.000 2.371 512 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 512 S C 2.020 176.636 174.600 0.027 0.000 1.029 512 S CA 0.695 58.909 58.200 0.023 0.000 0.978 512 S CB -0.152 63.056 63.200 0.014 0.000 0.833 512 S HN 0.422 nan 8.310 nan 0.000 0.466 513 K N 1.432 121.863 120.400 0.052 0.000 2.057 513 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 513 K C 1.793 178.452 176.600 0.099 0.000 1.049 513 K CA 1.389 57.714 56.287 0.063 0.000 0.931 513 K CB -0.156 32.384 32.500 0.066 0.000 0.714 513 K HN 0.383 nan 8.250 nan 0.000 0.440 514 E N -0.101 120.182 120.200 0.139 0.000 2.106 514 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 514 E C 1.946 178.650 176.600 0.173 0.000 0.984 514 E CA 0.940 57.482 56.400 0.236 0.000 0.806 514 E CB -0.070 29.800 29.700 0.283 0.000 0.750 514 E HN 0.422 nan 8.360 nan 0.000 0.458 515 A N 1.300 124.189 122.820 0.115 0.000 1.902 515 A HA -0.238 4.081 4.320 -0.000 0.000 0.217 515 A C 2.069 179.735 177.584 0.137 0.000 1.181 515 A CA 1.731 53.833 52.037 0.108 0.000 0.623 515 A CB -0.356 18.672 19.000 0.046 0.000 0.818 515 A HN 0.132 nan 8.150 nan 0.000 0.443 516 E N 0.639 120.903 120.200 0.107 0.000 2.072 516 E HA -0.164 4.185 4.350 -0.000 0.000 0.191 516 E C 1.361 177.957 176.600 -0.007 0.000 0.985 516 E CA 1.575 58.035 56.400 0.100 0.000 0.801 516 E CB -0.351 29.377 29.700 0.047 0.000 0.750 516 E HN 0.509 nan 8.360 nan 0.000 0.452 517 D N -0.061 120.339 120.400 -0.001 0.000 2.158 517 D HA -0.217 4.423 4.640 -0.000 0.000 0.197 517 D C 1.924 178.007 176.300 -0.362 0.000 0.995 517 D CA 1.391 55.376 54.000 -0.024 0.000 0.846 517 D CB -0.344 40.573 40.800 0.195 0.000 0.941 517 D HN 0.331 nan 8.370 nan 0.000 0.456 518 M N -0.416 118.790 119.600 -0.657 0.000 2.132 518 M HA -0.166 4.313 4.480 -0.000 0.000 0.263 518 M C 2.041 177.919 176.300 -0.703 0.000 1.065 518 M CA 1.106 55.640 55.300 -1.277 0.000 1.122 518 M CB 0.011 32.108 32.600 -0.839 0.000 1.365 518 M HN -0.026 nan 8.290 nan 0.000 0.411 519 M N 0.334 119.654 119.600 -0.467 0.000 2.080 519 M HA -0.171 4.308 4.480 -0.000 0.000 0.260 519 M C 1.737 177.826 176.300 -0.353 0.000 1.068 519 M CA 2.364 57.386 55.300 -0.463 0.000 1.109 519 M CB -1.000 31.406 32.600 -0.323 0.000 1.342 519 M HN 0.238 nan 8.290 nan 0.000 0.405 520 T N -0.041 114.374 114.554 -0.232 0.000 2.788 520 T HA -0.150 4.199 4.350 -0.000 0.000 0.268 520 T C 1.462 176.086 174.700 -0.128 0.000 1.044 520 T CA 1.758 63.775 62.100 -0.140 0.000 1.139 520 T CB -0.543 68.289 68.868 -0.060 0.000 0.867 520 T HN 0.548 nan 8.240 nan 0.000 0.454 521 D N 0.572 120.884 120.400 -0.147 0.000 2.144 521 D HA -0.052 4.587 4.640 -0.000 0.000 0.199 521 D C 2.063 178.355 176.300 -0.014 0.000 0.984 521 D CA 0.806 54.833 54.000 0.045 0.000 0.834 521 D CB -0.203 40.715 40.800 0.196 0.000 0.955 521 D HN 0.307 nan 8.370 nan 0.000 0.465 522 M N -0.513 118.834 119.600 -0.422 0.000 2.132 522 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 522 M C 1.936 177.934 176.300 -0.503 0.000 1.065 522 M CA 1.336 56.098 55.300 -0.897 0.000 1.122 522 M CB -0.192 31.564 32.600 -1.407 0.000 1.365 522 M HN 0.168 nan 8.290 nan 0.000 0.411 523 C N -0.109 118.993 119.300 -0.329 0.000 2.413 523 C HA -0.117 4.343 4.460 -0.000 0.000 0.276 523 C C 2.687 177.587 174.990 -0.150 0.000 1.248 523 C CA 0.948 59.888 59.018 -0.130 0.000 1.742 523 C CB -1.039 26.676 27.740 -0.041 0.000 2.017 523 C HN 0.522 nan 8.230 nan 0.000 0.481 524 V N 0.517 120.372 119.914 -0.098 0.000 2.358 524 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 524 V C 2.346 178.424 176.094 -0.027 0.000 1.047 524 V CA 2.272 64.545 62.300 -0.044 0.000 1.035 524 V CB -0.623 31.221 31.823 0.035 0.000 0.658 524 V HN 0.611 nan 8.190 nan 0.000 0.452 525 M N 0.575 120.196 119.600 0.034 0.000 2.236 525 M HA -0.112 4.368 4.480 -0.000 0.000 0.266 525 M C 2.411 178.612 176.300 -0.167 0.000 1.070 525 M CA 1.893 57.299 55.300 0.176 0.000 1.137 525 M CB -0.107 32.750 32.600 0.428 0.000 1.378 525 M HN 0.520 nan 8.290 nan 0.000 0.426 526 S N 0.612 115.910 115.700 -0.670 0.000 2.399 526 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 526 S C 1.963 176.181 174.600 -0.637 0.000 1.022 526 S CA 0.935 58.313 58.200 -1.370 0.000 0.983 526 S CB -0.823 61.319 63.200 -1.764 0.000 0.803 526 S HN 0.558 nan 8.310 nan 0.000 0.480 527 A N 1.807 124.351 122.820 -0.459 0.000 2.125 527 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 527 A C 2.126 179.587 177.584 -0.205 0.000 1.156 527 A CA 1.246 53.066 52.037 -0.362 0.000 0.671 527 A CB -0.519 18.284 19.000 -0.328 0.000 0.794 527 A HN 0.637 nan 8.150 nan 0.000 0.459 528 K N -0.709 119.617 120.400 -0.122 0.000 2.366 528 K HA 0.063 4.382 4.320 -0.000 0.000 0.198 528 K C 1.116 177.714 176.600 -0.003 0.000 1.044 528 K CA 0.619 56.880 56.287 -0.044 0.000 0.973 528 K CB 0.045 32.556 32.500 0.018 0.000 0.767 528 K HN 0.383 nan 8.250 nan 0.000 0.475 529 I N -0.639 119.946 120.570 0.026 0.000 3.039 529 I HA 0.152 4.322 4.170 -0.000 0.000 0.270 529 I C 1.118 177.252 176.117 0.028 0.000 1.150 529 I CA 0.618 61.978 61.300 0.100 0.000 1.448 529 I CB -0.036 38.168 38.000 0.340 0.000 1.197 529 I HN 0.094 nan 8.210 nan 0.000 0.450 530 G N -0.779 107.989 108.800 -0.054 0.000 2.356 530 G HA2 0.472 4.432 3.960 -0.000 0.000 0.294 530 G HA3 0.472 4.432 3.960 -0.000 0.000 0.294 530 G C -0.645 174.116 174.900 -0.232 0.000 1.423 530 G CA -0.155 44.886 45.100 -0.098 0.000 0.806 530 G HN 0.285 nan 8.290 nan 0.000 0.527 531 G N -1.094 107.565 108.800 -0.235 0.000 2.572 531 G HA2 0.529 4.489 3.960 -0.000 0.000 0.261 531 G HA3 0.529 4.489 3.960 -0.000 0.000 0.261 531 G C -0.318 174.410 174.900 -0.288 0.000 1.197 531 G CA -0.514 44.358 45.100 -0.380 0.000 0.870 531 G HN 0.423 nan 8.290 nan 0.000 0.548 532 F N -0.423 119.433 119.950 -0.156 0.000 2.578 532 F HA 0.133 4.660 4.527 -0.000 0.000 0.376 532 F C 0.800 176.540 175.800 -0.100 0.000 1.085 532 F CA -0.852 57.050 58.000 -0.164 0.000 1.260 532 F CB 0.589 39.486 39.000 -0.171 0.000 1.095 532 F HN 0.145 nan 8.300 nan 0.000 0.573 533 L N 6.941 128.234 121.223 0.118 0.000 2.500 533 L HA 0.306 4.645 4.340 -0.000 0.000 0.272 533 L C -2.327 174.592 176.870 0.081 0.000 1.149 533 L CA -1.740 53.145 54.840 0.076 0.000 0.897 533 L CB -0.223 41.875 42.059 0.066 0.000 1.178 533 L HN 0.295 nan 8.230 nan 0.000 0.473 534 P HA 0.190 nan 4.420 nan 0.000 0.264 534 P C 0.658 178.010 177.300 0.086 0.000 1.183 534 P CA 1.053 64.194 63.100 0.068 0.000 0.763 534 P CB 0.676 32.410 31.700 0.057 0.000 0.807 535 G N 1.952 110.798 108.800 0.076 0.000 2.234 535 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.235 535 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.235 535 G C 0.489 175.479 174.900 0.149 0.000 0.997 535 G CA 0.197 45.365 45.100 0.114 0.000 0.623 535 G HN 0.527 nan 8.290 nan 0.000 0.514 536 S N 0.937 116.696 115.700 0.097 0.000 2.526 536 S HA 0.523 4.993 4.470 -0.000 0.000 0.220 536 S C 0.403 174.910 174.600 -0.155 0.000 1.159 536 S CA -0.544 57.696 58.200 0.065 0.000 1.196 536 S CB 0.257 63.470 63.200 0.023 0.000 1.225 536 S HN 0.472 nan 8.310 nan 0.000 0.432 537 L N 2.428 123.552 121.223 -0.165 0.000 2.464 537 L HA 0.353 4.693 4.340 -0.000 0.000 0.264 537 L C -2.073 174.490 176.870 -0.512 0.000 1.199 537 L CA -2.179 52.423 54.840 -0.396 0.000 0.818 537 L CB -0.067 41.834 42.059 -0.263 0.000 1.102 537 L HN 0.077 nan 8.230 nan 0.000 0.473 538 P HA 0.015 nan 4.420 nan 0.000 0.264 538 P C -1.390 175.678 177.300 -0.387 0.000 1.193 538 P CA 0.079 62.782 63.100 -0.661 0.000 0.763 538 P CB 0.492 31.727 31.700 -0.774 0.000 0.810 539 Q N 1.421 121.038 119.800 -0.305 0.000 2.527 539 Q HA 0.465 4.805 4.340 -0.000 0.000 0.280 539 Q C -1.570 174.307 176.000 -0.205 0.000 0.977 539 Q CA -0.828 54.886 55.803 -0.147 0.000 0.837 539 Q CB 0.610 29.333 28.738 -0.025 0.000 1.454 539 Q HN 0.101 nan 8.270 nan 0.000 0.387 540 F N 1.589 121.482 119.950 -0.094 0.000 2.412 540 F HA 0.349 4.876 4.527 -0.000 0.000 0.348 540 F C 0.485 176.251 175.800 -0.057 0.000 1.102 540 F CA -0.410 57.534 58.000 -0.094 0.000 1.196 540 F CB 1.095 40.031 39.000 -0.107 0.000 1.144 540 F HN 0.417 nan 8.300 nan 0.000 0.541 541 M N 1.763 121.417 119.600 0.090 0.000 2.255 541 M HA 0.134 4.614 4.480 -0.000 0.000 0.336 541 M C 0.231 176.575 176.300 0.073 0.000 1.135 541 M CA -0.650 54.671 55.300 0.036 0.000 1.145 541 M CB 0.483 33.058 32.600 -0.042 0.000 1.473 541 M HN 0.576 nan 8.290 nan 0.000 0.462 542 E N 2.772 122.990 120.200 0.030 0.000 2.653 542 E HA -0.054 4.296 4.350 -0.000 0.000 0.264 542 E C -2.152 174.467 176.600 0.032 0.000 0.949 542 E CA -0.972 55.442 56.400 0.023 0.000 0.953 542 E CB 0.327 30.015 29.700 -0.020 0.000 0.925 542 E HN 0.214 nan 8.360 nan 0.000 0.475 543 P HA 0.055 nan 4.420 nan 0.000 0.266 543 P C 0.193 177.406 177.300 -0.145 0.000 1.215 543 P CA 1.048 64.170 63.100 0.037 0.000 0.763 543 P CB 0.754 32.444 31.700 -0.017 0.000 0.806 544 G N 2.669 111.386 108.800 -0.137 0.000 2.194 544 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.236 544 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.236 544 G C 0.732 175.565 174.900 -0.111 0.000 0.987 544 G CA 0.119 45.091 45.100 -0.213 0.000 0.635 544 G HN 0.520 nan 8.290 nan 0.000 0.520 545 L N 1.055 122.234 121.223 -0.073 0.000 2.127 545 L HA 0.144 4.484 4.340 -0.000 0.000 0.211 545 L C 2.796 179.634 176.870 -0.052 0.000 1.089 545 L CA 2.527 57.331 54.840 -0.060 0.000 0.757 545 L CB -0.391 41.632 42.059 -0.061 0.000 0.899 545 L HN 0.487 nan 8.230 nan 0.000 0.434 546 V N -0.209 119.674 119.914 -0.052 0.000 2.720 546 V HA -0.172 3.948 4.120 -0.000 0.000 0.256 546 V C 1.562 177.563 176.094 -0.155 0.000 1.082 546 V CA 1.243 63.489 62.300 -0.089 0.000 1.101 546 V CB -0.303 31.495 31.823 -0.042 0.000 0.693 546 V HN 0.506 nan 8.190 nan 0.000 0.479 547 L N -0.150 121.049 121.223 -0.040 0.000 3.608 547 L HA -0.243 4.097 4.340 -0.000 0.000 0.422 547 L C 0.356 177.373 176.870 0.244 0.000 1.260 547 L CA 0.868 55.746 54.840 0.064 0.000 0.889 547 L CB -2.500 39.612 42.059 0.088 0.000 1.821 547 L HN 0.560 nan 8.230 nan 0.000 0.884 548 H N -0.719 118.450 119.070 0.165 0.000 2.475 548 H HA 0.267 4.823 4.556 -0.000 0.000 0.276 548 H C 0.581 176.050 175.328 0.236 0.000 1.126 548 H CA -1.062 55.130 56.048 0.241 0.000 1.023 548 H CB 0.711 30.661 29.762 0.312 0.000 1.669 548 H HN 0.210 nan 8.280 nan 0.000 0.573 549 L N 1.903 123.272 121.223 0.242 0.000 2.578 549 L HA 0.167 4.506 4.340 -0.000 0.000 0.279 549 L C 0.584 177.589 176.870 0.226 0.000 1.227 549 L CA 0.820 55.749 54.840 0.149 0.000 0.900 549 L CB 0.289 42.396 42.059 0.080 0.000 1.144 549 L HN 0.264 nan 8.230 nan 0.000 0.496 550 G N 1.866 110.811 108.800 0.241 0.000 2.798 550 G HA2 0.558 4.518 3.960 -0.000 0.000 0.286 550 G HA3 0.558 4.518 3.960 -0.000 0.000 0.286 550 G C 0.314 175.321 174.900 0.179 0.000 1.389 550 G CA -0.317 44.941 45.100 0.263 0.000 0.894 550 G HN 1.374 nan 8.290 nan 0.000 0.488 551 G N -1.389 107.484 108.800 0.121 0.000 2.176 551 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.253 551 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.253 551 G C 1.436 176.402 174.900 0.110 0.000 0.979 551 G CA 1.511 46.692 45.100 0.135 0.000 0.641 551 G HN 1.904 nan 8.290 nan 0.000 0.530 552 T N -1.649 112.924 114.554 0.031 0.000 2.962 552 T HA 0.124 4.473 4.350 -0.000 0.000 0.270 552 T C 1.032 175.826 174.700 0.156 0.000 1.088 552 T CA 1.908 64.067 62.100 0.099 0.000 1.127 552 T CB -0.338 68.600 68.868 0.116 0.000 0.883 552 T HN 1.522 nan 8.240 nan 0.000 0.493 553 H N -0.166 118.980 119.070 0.127 0.000 2.600 553 H HA 0.476 5.032 4.556 -0.000 0.000 0.224 553 H C -0.177 175.195 175.328 0.074 0.000 1.413 553 H CA -1.335 54.764 56.048 0.084 0.000 1.401 553 H CB -0.236 29.540 29.762 0.023 0.000 1.772 553 H HN 0.349 nan 8.280 nan 0.000 0.528 554 R N 0.729 121.324 120.500 0.158 0.000 2.615 554 R HA 0.373 4.713 4.340 -0.000 0.000 0.270 554 R C -0.336 176.028 176.300 0.106 0.000 1.081 554 R CA -0.830 55.330 56.100 0.100 0.000 1.154 554 R CB 1.064 31.413 30.300 0.082 0.000 1.063 554 R HN 0.455 nan 8.270 nan 0.000 0.519 555 M N 1.039 120.677 119.600 0.063 0.000 2.274 555 M HA 0.442 4.922 4.480 -0.000 0.000 0.344 555 M C -0.494 175.807 176.300 0.002 0.000 1.161 555 M CA 0.234 55.548 55.300 0.022 0.000 1.126 555 M CB 1.580 34.167 32.600 -0.022 0.000 1.522 555 M HN 0.942 nan 8.290 nan 0.000 0.461 556 G N 2.102 110.918 108.800 0.027 0.000 2.548 556 G HA2 0.401 4.360 3.960 -0.000 0.000 0.301 556 G HA3 0.401 4.360 3.960 -0.000 0.000 0.301 556 G C -0.916 173.999 174.900 0.025 0.000 1.349 556 G CA -0.664 44.400 45.100 -0.060 0.000 0.792 556 G HN 0.653 nan 8.290 nan 0.000 0.481 557 F N -0.022 120.028 119.950 0.166 0.000 2.234 557 F HA 0.269 4.796 4.527 -0.000 0.000 0.296 557 F C 1.085 177.012 175.800 0.212 0.000 1.089 557 F CA 1.104 59.202 58.000 0.164 0.000 1.343 557 F CB 0.393 39.449 39.000 0.093 0.000 1.040 557 F HN 0.394 nan 8.300 nan 0.000 0.498 558 D N -1.129 119.435 120.400 0.273 0.000 2.863 558 D HA 0.126 4.766 4.640 -0.000 0.000 0.245 558 D C 0.665 176.796 176.300 -0.281 0.000 1.211 558 D CA -0.235 53.770 54.000 0.008 0.000 0.888 558 D CB 1.291 42.115 40.800 0.041 0.000 1.483 558 D HN 0.063 nan 8.370 nan 0.000 0.533 559 E N 3.140 122.829 120.200 -0.852 0.000 2.038 559 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 559 E C 1.388 177.788 176.600 -0.334 0.000 1.000 559 E CA 1.261 57.111 56.400 -0.917 0.000 0.803 559 E CB 0.261 29.298 29.700 -1.105 0.000 0.750 559 E HN 0.458 nan 8.360 nan 0.000 0.448 560 K N 0.241 120.497 120.400 -0.240 0.000 2.031 560 K HA -0.137 4.182 4.320 -0.000 0.000 0.205 560 K C 2.008 178.568 176.600 -0.067 0.000 1.049 560 K CA 1.521 57.741 56.287 -0.112 0.000 0.939 560 K CB 0.046 32.497 32.500 -0.081 0.000 0.717 560 K HN 0.077 nan 8.250 nan 0.000 0.438 561 E N 0.158 120.324 120.200 -0.055 0.000 2.152 561 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 561 E C 0.721 177.314 176.600 -0.011 0.000 0.983 561 E CA 1.027 57.419 56.400 -0.013 0.000 0.818 561 E CB 0.197 29.904 29.700 0.012 0.000 0.758 561 E HN 0.365 nan 8.360 nan 0.000 0.467 562 D N 0.128 120.513 120.400 -0.024 0.000 2.368 562 D HA 0.057 4.697 4.640 -0.000 0.000 0.218 562 D C -0.650 175.579 176.300 -0.118 0.000 1.112 562 D CA -0.022 53.959 54.000 -0.033 0.000 0.834 562 D CB 0.119 40.938 40.800 0.031 0.000 0.953 562 D HN 0.062 nan 8.370 nan 0.000 0.505 563 N N 0.665 119.288 118.700 -0.127 0.000 2.667 563 N HA -0.189 4.551 4.740 -0.000 0.000 0.263 563 N C -0.285 175.130 175.510 -0.158 0.000 1.038 563 N CA 0.589 53.532 53.050 -0.178 0.000 0.749 563 N CB -1.374 36.852 38.487 -0.435 0.000 0.892 563 N HN 0.410 nan 8.380 nan 0.000 0.546 564 C N -3.457 115.833 119.300 -0.017 0.000 3.213 564 C HA 0.790 5.250 4.460 -0.000 0.000 0.319 564 C C 1.369 176.528 174.990 0.281 0.000 1.386 564 C CA -0.673 58.416 59.018 0.117 0.000 1.494 564 C CB 1.618 29.454 27.740 0.161 0.000 1.905 564 C HN 0.490 nan 8.230 nan 0.000 0.456 565 C N 0.119 119.623 119.300 0.339 0.000 3.095 565 C HA 0.484 4.944 4.460 -0.000 0.000 0.472 565 C C 0.689 175.795 174.990 0.193 0.000 1.348 565 C CA 0.627 59.838 59.018 0.322 0.000 2.206 565 C CB -0.266 27.582 27.740 0.181 0.000 3.088 565 C HN 0.943 nan 8.230 nan 0.000 0.599 566 V N 1.260 121.184 119.914 0.017 0.000 3.001 566 V HA 0.711 4.830 4.120 -0.000 0.000 0.314 566 V C -0.679 175.077 176.094 -0.564 0.000 1.099 566 V CA -0.650 61.399 62.300 -0.417 0.000 0.989 566 V CB 1.472 33.165 31.823 -0.217 0.000 1.040 566 V HN 0.412 nan 8.190 nan 0.000 0.434 567 N N 0.501 118.702 118.700 -0.832 0.000 2.431 567 N HA 0.245 4.985 4.740 -0.000 0.000 0.289 567 N C 1.013 176.393 175.510 -0.216 0.000 1.277 567 N CA 0.251 53.049 53.050 -0.421 0.000 0.972 567 N CB -0.207 38.046 38.487 -0.389 0.000 1.143 567 N HN 0.926 nan 8.380 nan 0.000 0.578 568 T N -4.680 109.796 114.554 -0.130 0.000 3.113 568 T HA 0.019 4.369 4.350 -0.000 0.000 0.263 568 T C 0.116 174.750 174.700 -0.110 0.000 1.143 568 T CA 0.579 62.604 62.100 -0.127 0.000 1.090 568 T CB -0.385 68.432 68.868 -0.085 0.000 0.922 568 T HN 0.433 nan 8.240 nan 0.000 0.521 569 D N 1.178 121.503 120.400 -0.124 0.000 2.328 569 D HA 0.169 4.809 4.640 -0.000 0.000 0.221 569 D C 0.499 176.812 176.300 0.021 0.000 1.072 569 D CA 0.092 54.043 54.000 -0.082 0.000 0.850 569 D CB 0.060 40.715 40.800 -0.242 0.000 0.922 569 D HN 0.316 nan 8.370 nan 0.000 0.516 570 S N 0.368 116.045 115.700 -0.037 0.000 3.587 570 S HA -0.258 4.212 4.470 -0.000 0.000 0.337 570 S C 0.498 175.090 174.600 -0.014 0.000 1.119 570 S CA 0.486 58.696 58.200 0.017 0.000 0.976 570 S CB -1.310 61.980 63.200 0.149 0.000 0.922 570 S HN 0.473 nan 8.310 nan 0.000 0.503 571 R N 0.872 121.220 120.500 -0.253 0.000 2.368 571 R HA 0.522 4.862 4.340 -0.000 0.000 0.302 571 R C -0.099 175.872 176.300 -0.549 0.000 1.002 571 R CA -0.530 55.214 56.100 -0.593 0.000 0.929 571 R CB 0.814 30.697 30.300 -0.695 0.000 1.073 571 R HN 0.129 nan 8.270 nan 0.000 0.464 572 V N 5.840 125.466 119.914 -0.481 0.000 2.585 572 V HA 0.041 4.161 4.120 -0.000 0.000 0.296 572 V C 0.125 176.124 176.094 -0.159 0.000 1.035 572 V CA 0.157 62.263 62.300 -0.323 0.000 1.084 572 V CB 0.000 31.623 31.823 -0.333 0.000 0.953 572 V HN 0.569 nan 8.190 nan 0.000 0.483 573 F N 3.600 123.578 119.950 0.046 0.000 2.629 573 F HA 0.396 4.923 4.527 -0.000 0.000 0.377 573 F C 1.599 177.528 175.800 0.215 0.000 1.101 573 F CA 1.523 59.581 58.000 0.095 0.000 1.301 573 F CB -0.033 39.018 39.000 0.085 0.000 1.062 573 F HN 0.787 nan 8.300 nan 0.000 0.583 574 G N 1.977 110.957 108.800 0.300 0.000 2.253 574 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.251 574 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.251 574 G C -0.110 174.720 174.900 -0.116 0.000 0.998 574 G CA -0.434 44.737 45.100 0.118 0.000 0.621 574 G HN 0.434 nan 8.290 nan 0.000 0.524 575 F N 1.076 121.045 119.950 0.030 0.000 2.427 575 F HA 0.639 5.166 4.527 -0.000 0.000 0.346 575 F C 1.322 177.100 175.800 -0.036 0.000 1.120 575 F CA -1.059 56.944 58.000 0.005 0.000 1.033 575 F CB 1.713 40.712 39.000 -0.001 0.000 1.126 575 F HN -0.257 nan 8.300 nan 0.000 0.462 576 K N 1.687 122.164 120.400 0.129 0.000 2.148 576 K HA -0.076 4.243 4.320 -0.000 0.000 0.204 576 K C 0.832 177.629 176.600 0.327 0.000 1.050 576 K CA 1.026 57.435 56.287 0.204 0.000 0.942 576 K CB -0.142 32.494 32.500 0.226 0.000 0.724 576 K HN 0.653 nan 8.250 nan 0.000 0.446 577 N N 0.047 118.914 118.700 0.279 0.000 2.377 577 N HA 0.056 4.796 4.740 -0.000 0.000 0.259 577 N C -0.779 174.836 175.510 0.176 0.000 1.332 577 N CA -0.368 52.891 53.050 0.348 0.000 0.877 577 N CB -0.069 38.677 38.487 0.431 0.000 1.299 577 N HN -0.051 nan 8.380 nan 0.000 0.501 578 L N 0.377 121.479 121.223 -0.202 0.000 2.381 578 L HA 0.714 5.054 4.340 -0.000 0.000 0.274 578 L C -1.834 174.672 176.870 -0.607 0.000 0.988 578 L CA -0.619 54.094 54.840 -0.211 0.000 0.824 578 L CB 1.087 43.011 42.059 -0.225 0.000 1.263 578 L HN -0.025 nan 8.230 nan 0.000 0.410 579 F N 4.729 124.595 119.950 -0.140 0.000 2.563 579 F HA 0.682 5.209 4.527 -0.000 0.000 0.316 579 F C -0.537 175.107 175.800 -0.259 0.000 1.076 579 F CA -0.658 57.241 58.000 -0.169 0.000 0.921 579 F CB 1.941 40.872 39.000 -0.115 0.000 1.209 579 F HN 0.216 nan 8.300 nan 0.000 0.462 580 L N 1.516 122.694 121.223 -0.075 0.000 2.342 580 L HA 0.887 5.227 4.340 -0.000 0.000 0.271 580 L C 0.013 176.874 176.870 -0.014 0.000 1.008 580 L CA -0.815 53.904 54.840 -0.203 0.000 0.818 580 L CB 2.042 43.837 42.059 -0.439 0.000 1.296 580 L HN 0.782 nan 8.230 nan 0.000 0.427 581 G N -0.046 108.761 108.800 0.011 0.000 2.533 581 G HA2 0.804 4.763 3.960 -0.000 0.000 0.304 581 G HA3 0.804 4.763 3.960 -0.000 0.000 0.304 581 G C -0.614 174.406 174.900 0.200 0.000 1.263 581 G CA -0.333 44.883 45.100 0.193 0.000 0.964 581 G HN 0.967 nan 8.290 nan 0.000 0.479 582 G N -1.705 107.202 108.800 0.178 0.000 2.354 582 G HA2 0.077 4.037 3.960 -0.000 0.000 0.582 582 G HA3 0.077 4.037 3.960 -0.000 0.000 0.582 582 G C 0.660 175.614 174.900 0.090 0.000 1.316 582 G CA 0.035 45.218 45.100 0.138 0.000 0.995 582 G HN 1.192 nan 8.290 nan 0.000 0.573 583 C N 0.654 119.985 119.300 0.052 0.000 2.437 583 C HA 0.232 4.691 4.460 -0.000 0.000 0.283 583 C C 3.036 178.006 174.990 -0.033 0.000 1.424 583 C CA 1.653 60.681 59.018 0.017 0.000 1.782 583 C CB -1.291 26.492 27.740 0.071 0.000 1.833 583 C HN 1.306 nan 8.230 nan 0.000 0.532 584 G N 1.506 110.197 108.800 -0.181 0.000 2.485 584 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.221 584 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.221 584 G C 1.419 175.956 174.900 -0.605 0.000 1.115 584 G CA 0.948 45.639 45.100 -0.681 0.000 0.751 584 G HN 0.568 nan 8.290 nan 0.000 0.567 585 N N 0.300 118.883 118.700 -0.195 0.000 2.396 585 N HA 0.024 4.764 4.740 -0.000 0.000 0.180 585 N C 0.911 176.439 175.510 0.029 0.000 1.028 585 N CA 0.171 53.241 53.050 0.033 0.000 0.893 585 N CB 0.063 38.614 38.487 0.107 0.000 0.967 585 N HN 0.314 nan 8.380 nan 0.000 0.440 586 I N 3.087 123.673 120.570 0.027 0.000 2.517 586 I HA 0.038 4.208 4.170 -0.000 0.000 0.285 586 I C -1.345 174.866 176.117 0.157 0.000 1.106 586 I CA -1.014 60.331 61.300 0.075 0.000 1.402 586 I CB 1.226 39.222 38.000 -0.007 0.000 1.399 586 I HN -0.077 nan 8.210 nan 0.000 0.535 587 P HA 0.065 nan 4.420 nan 0.000 0.267 587 P C 0.246 177.641 177.300 0.158 0.000 1.289 587 P CA 0.200 63.374 63.100 0.125 0.000 0.866 587 P CB 0.218 31.950 31.700 0.053 0.000 1.309 588 T N -2.110 112.574 114.554 0.216 0.000 2.897 588 T HA 0.682 5.032 4.350 -0.000 0.000 0.278 588 T C 0.189 175.031 174.700 0.237 0.000 0.981 588 T CA -0.863 61.354 62.100 0.195 0.000 0.973 588 T CB 1.148 70.110 68.868 0.158 0.000 1.092 588 T HN 0.050 nan 8.240 nan 0.000 0.543 589 A N 1.710 124.599 122.820 0.115 0.000 2.302 589 A HA 0.625 4.944 4.320 -0.000 0.000 0.295 589 A C -0.713 176.835 177.584 -0.059 0.000 1.235 589 A CA -0.862 51.184 52.037 0.015 0.000 0.876 589 A CB -0.802 18.232 19.000 0.056 0.000 1.133 589 A HN 0.866 nan 8.150 nan 0.000 0.533 590 Y N -0.541 119.675 120.300 -0.141 0.000 2.512 590 Y HA 0.716 5.265 4.550 -0.000 0.000 0.348 590 Y C 0.729 176.486 175.900 -0.239 0.000 0.990 590 Y CA -0.700 57.118 58.100 -0.470 0.000 1.033 590 Y CB 1.403 39.339 38.460 -0.875 0.000 1.259 590 Y HN 0.394 nan 8.280 nan 0.000 0.461 591 G N 0.337 109.034 108.800 -0.170 0.000 2.709 591 G HA2 0.410 4.369 3.960 -0.000 0.000 0.208 591 G HA3 0.410 4.369 3.960 -0.000 0.000 0.208 591 G C 0.422 175.411 174.900 0.148 0.000 1.129 591 G CA 0.206 45.419 45.100 0.188 0.000 0.793 591 G HN 0.946 nan 8.290 nan 0.000 0.524 592 A N 0.700 123.415 122.820 -0.175 0.000 2.327 592 A HA 0.509 4.829 4.320 -0.000 0.000 0.255 592 A C -0.102 177.367 177.584 -0.192 0.000 1.099 592 A CA -0.489 51.331 52.037 -0.361 0.000 0.801 592 A CB 0.109 18.880 19.000 -0.382 0.000 1.062 592 A HN 0.331 nan 8.150 nan 0.000 0.496 593 N N 1.495 119.955 118.700 -0.401 0.000 2.497 593 N HA 0.283 5.023 4.740 -0.000 0.000 0.268 593 N C -2.042 173.366 175.510 -0.170 0.000 1.171 593 N CA -1.072 51.719 53.050 -0.431 0.000 0.948 593 N CB 0.555 38.862 38.487 -0.301 0.000 1.069 593 N HN 0.400 nan 8.380 nan 0.000 0.460 594 P HA -0.003 nan 4.420 nan 0.000 0.235 594 P C 0.514 177.716 177.300 -0.163 0.000 1.177 594 P CA 0.672 63.677 63.100 -0.159 0.000 0.785 594 P CB 0.312 31.901 31.700 -0.184 0.000 0.885 595 T N 1.066 115.600 114.554 -0.034 0.000 2.720 595 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 595 T C 1.774 176.567 174.700 0.155 0.000 1.037 595 T CA 1.062 63.205 62.100 0.071 0.000 1.144 595 T CB -0.853 68.091 68.868 0.127 0.000 0.864 595 T HN 0.010 nan 8.240 nan 0.000 0.444 596 L N 1.045 122.377 121.223 0.182 0.000 2.042 596 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 596 L C 2.554 179.504 176.870 0.134 0.000 1.076 596 L CA 1.777 56.778 54.840 0.268 0.000 0.749 596 L CB -1.093 41.102 42.059 0.226 0.000 0.893 596 L HN 0.210 nan 8.230 nan 0.000 0.432 597 T N -0.507 113.991 114.554 -0.093 0.000 2.746 597 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 597 T C 1.898 176.509 174.700 -0.149 0.000 1.039 597 T CA 1.279 63.216 62.100 -0.272 0.000 1.142 597 T CB -0.479 67.783 68.868 -1.010 0.000 0.866 597 T HN 0.517 nan 8.240 nan 0.000 0.444 598 A N 1.515 124.259 122.820 -0.127 0.000 1.902 598 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 598 A C 2.314 179.877 177.584 -0.036 0.000 1.181 598 A CA 1.825 53.831 52.037 -0.051 0.000 0.623 598 A CB -0.739 18.252 19.000 -0.015 0.000 0.818 598 A HN 0.528 nan 8.150 nan 0.000 0.443 599 M N -0.192 119.397 119.600 -0.017 0.000 2.117 599 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 599 M C 2.156 178.380 176.300 -0.127 0.000 1.065 599 M CA 2.180 57.443 55.300 -0.061 0.000 1.114 599 M CB -0.200 32.372 32.600 -0.048 0.000 1.361 599 M HN 0.385 nan 8.290 nan 0.000 0.408 600 S N 1.260 116.882 115.700 -0.130 0.000 2.359 600 S HA -0.162 4.308 4.470 -0.000 0.000 0.224 600 S C 1.764 176.181 174.600 -0.305 0.000 1.035 600 S CA 1.612 59.663 58.200 -0.248 0.000 1.018 600 S CB -0.638 62.360 63.200 -0.338 0.000 0.876 600 S HN 0.529 nan 8.310 nan 0.000 0.448 601 L N 1.107 122.191 121.223 -0.232 0.000 2.079 601 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 601 L C 2.799 179.547 176.870 -0.204 0.000 1.081 601 L CA 1.221 55.930 54.840 -0.219 0.000 0.752 601 L CB -0.762 41.238 42.059 -0.098 0.000 0.896 601 L HN 0.335 nan 8.230 nan 0.000 0.433 602 A N 0.327 123.025 122.820 -0.204 0.000 1.902 602 A HA -0.167 4.152 4.320 -0.000 0.000 0.217 602 A C 2.224 179.497 177.584 -0.519 0.000 1.181 602 A CA 1.428 53.230 52.037 -0.393 0.000 0.623 602 A CB -0.609 18.177 19.000 -0.357 0.000 0.818 602 A HN 0.335 nan 8.150 nan 0.000 0.443 603 I N -0.469 119.893 120.570 -0.347 0.000 2.127 603 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 603 I C 2.554 178.508 176.117 -0.271 0.000 1.075 603 I CA 2.040 63.168 61.300 -0.287 0.000 1.334 603 I CB -0.276 37.580 38.000 -0.240 0.000 1.040 603 I HN 0.382 nan 8.210 nan 0.000 0.405 604 K N 0.537 120.775 120.400 -0.270 0.000 2.074 604 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 604 K C 2.354 178.865 176.600 -0.149 0.000 1.048 604 K CA 1.990 58.146 56.287 -0.218 0.000 0.926 604 K CB -0.192 32.144 32.500 -0.274 0.000 0.713 604 K HN 0.160 nan 8.250 nan 0.000 0.444 605 S N -0.104 115.490 115.700 -0.177 0.000 2.359 605 S HA -0.189 4.280 4.470 -0.000 0.000 0.224 605 S C 2.070 176.562 174.600 -0.179 0.000 1.035 605 S CA 1.571 59.706 58.200 -0.108 0.000 1.018 605 S CB -0.543 62.634 63.200 -0.038 0.000 0.876 605 S HN 0.585 nan 8.310 nan 0.000 0.448 606 C N 1.511 120.607 119.300 -0.339 0.000 2.422 606 C HA 0.004 4.463 4.460 -0.000 0.000 0.279 606 C C 2.497 177.399 174.990 -0.146 0.000 1.305 606 C CA 0.755 59.597 59.018 -0.294 0.000 1.757 606 C CB -1.511 26.024 27.740 -0.342 0.000 1.962 606 C HN 0.689 nan 8.230 nan 0.000 0.499 607 E N -0.392 119.746 120.200 -0.103 0.000 2.058 607 E HA -0.277 4.072 4.350 -0.000 0.000 0.194 607 E C 1.857 178.466 176.600 0.015 0.000 0.997 607 E CA 1.651 58.026 56.400 -0.041 0.000 0.801 607 E CB -0.381 29.292 29.700 -0.046 0.000 0.746 607 E HN 0.822 nan 8.360 nan 0.000 0.450 608 Y N 1.476 121.747 120.300 -0.049 0.000 2.128 608 Y HA -0.258 4.291 4.550 -0.000 0.000 0.284 608 Y C 2.018 177.953 175.900 0.058 0.000 1.154 608 Y CA 1.633 59.750 58.100 0.028 0.000 1.149 608 Y CB -0.185 38.337 38.460 0.105 0.000 0.976 608 Y HN -0.053 nan 8.280 nan 0.000 0.505 609 I N 0.356 120.971 120.570 0.075 0.000 2.163 609 I HA -0.366 3.804 4.170 -0.000 0.000 0.243 609 I C 2.310 178.474 176.117 0.079 0.000 1.085 609 I CA 1.843 63.162 61.300 0.031 0.000 1.347 609 I CB -0.453 37.343 38.000 -0.340 0.000 1.044 609 I HN 0.181 nan 8.210 nan 0.000 0.408 610 K N 0.290 120.704 120.400 0.024 0.000 2.209 610 K HA -0.181 4.139 4.320 -0.000 0.000 0.204 610 K C 1.895 178.534 176.600 0.066 0.000 1.048 610 K CA 1.124 57.492 56.287 0.135 0.000 0.940 610 K CB -0.089 32.463 32.500 0.087 0.000 0.729 610 K HN 0.446 nan 8.250 nan 0.000 0.451 611 Q N -0.419 119.350 119.800 -0.052 0.000 2.360 611 Q HA 0.098 4.438 4.340 -0.000 0.000 0.202 611 Q C 0.870 176.740 176.000 -0.216 0.000 0.915 611 Q CA 0.293 56.026 55.803 -0.117 0.000 0.943 611 Q CB 0.565 29.219 28.738 -0.141 0.000 1.064 611 Q HN 0.255 nan 8.270 nan 0.000 0.511 612 N N -0.993 117.550 118.700 -0.262 0.000 2.168 612 N HA 0.143 4.882 4.740 -0.000 0.000 0.216 612 N C -0.927 174.159 175.510 -0.707 0.000 1.259 612 N CA 0.280 53.019 53.050 -0.520 0.000 0.902 612 N CB 1.082 39.063 38.487 -0.843 0.000 1.079 612 N HN -0.001 nan 8.380 nan 0.000 0.507 613 F N 0.618 120.586 119.950 0.030 0.000 2.556 613 F HA 0.345 4.871 4.527 -0.000 0.000 0.314 613 F C 0.119 176.047 175.800 0.214 0.000 1.106 613 F CA -0.632 57.448 58.000 0.133 0.000 0.911 613 F CB 1.938 41.024 39.000 0.144 0.000 1.190 613 F HN -0.391 nan 8.300 nan 0.000 0.448 614 T N 4.338 119.061 114.554 0.283 0.000 2.767 614 T HA 0.397 4.747 4.350 -0.000 0.000 0.288 614 T C -2.492 172.237 174.700 0.049 0.000 0.963 614 T CA -1.367 60.798 62.100 0.108 0.000 1.019 614 T CB 1.010 69.907 68.868 0.049 0.000 0.923 614 T HN 0.142 nan 8.240 nan 0.000 0.468 615 P HA 0.125 nan 4.420 nan 0.000 0.266 615 P C 0.002 177.236 177.300 -0.110 0.000 1.195 615 P CA -0.447 62.425 63.100 -0.379 0.000 0.768 615 P CB 0.252 31.559 31.700 -0.656 0.000 0.838 616 S N 3.077 118.754 115.700 -0.037 0.000 2.566 616 S HA 0.221 4.690 4.470 -0.000 0.000 0.280 616 S C -2.134 172.463 174.600 -0.005 0.000 1.343 616 S CA -0.909 57.285 58.200 -0.009 0.000 1.036 616 S CB -0.981 62.220 63.200 0.001 0.000 0.866 616 S HN 0.297 nan 8.310 nan 0.000 0.526 617 P HA 0.179 nan 4.420 nan 0.000 0.271 617 P C -0.755 176.635 177.300 0.150 0.000 1.216 617 P CA -0.464 62.675 63.100 0.065 0.000 0.771 617 P CB 0.097 31.826 31.700 0.049 0.000 0.864 618 F N 3.528 123.462 119.950 -0.026 0.000 2.509 618 F HA 0.202 4.729 4.527 -0.000 0.000 0.350 618 F C 0.681 176.473 175.800 -0.014 0.000 1.220 618 F CA -0.453 57.537 58.000 -0.016 0.000 1.151 618 F CB -0.782 38.210 39.000 -0.014 0.000 1.379 618 F HN 0.159 nan 8.300 nan 0.000 0.610 619 T N 0.000 114.750 114.554 0.327 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.175 62.100 0.125 0.000 1.349 619 T CB 0.000 68.922 68.868 0.090 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658