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 3fgu_1_A DATA FIRST_RESID 5 DATA SEQUENCE NLYFQGMKKE KVEQILAEFQ LQEEDLKKVM RRMQKEMDRG LRLETHEEAS DATA SEQUENCE VKMLPTYVRS TPXXSEVGDF LSLDLGGTNF RVMLVKVGEX XXGQWSVKTK DATA SEQUENCE HQMYSIPEDA MTGTAEMLFD YISECISDFL DKHQMKXXKL PLGFTFSFPV DATA SEQUENCE RHEDIDKGIL LNWTKGFKAS GAEGNNVVGL LRDAIKRRGD FEMDVVAMVN DATA SEQUENCE DTVATMISCY YEDHQCEVGM IVGTGCNACY MEEMQNVELV EGDEGRMCVN DATA SEQUENCE TEWGAFGDSG ELDEFLLEYD RLVDESSANP GQQLYEKLIG GKYMGELVRL DATA SEQUENCE VLLRLVDENL LFHGEASEQL RTRGAFETRF VSQVESDTGD RKQIYNILST DATA SEQUENCE LGLRPSTTDC DIVRRACESV STRAAHMCSA GLAGVINRMR ESRSEDVMRI DATA SEQUENCE TVGVDGSVYK LHPSFKERFH ASVRRLTPSC EITFIESEEG SGRGAALVSA DATA SEQUENCE VACK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.566 175.510 0.094 0.000 1.280 5 N CA 0.000 53.127 53.050 0.129 0.000 0.885 5 N CB 0.000 38.549 38.487 0.103 0.000 1.341 6 L N 1.345 122.597 121.223 0.049 0.000 2.191 6 L HA -0.098 4.279 4.340 0.062 0.000 0.212 6 L C 2.177 179.053 176.870 0.010 0.000 1.103 6 L CA 1.623 56.481 54.840 0.031 0.000 0.769 6 L CB -0.670 41.404 42.059 0.025 0.000 0.908 6 L HN 0.661 nan 8.230 nan 0.000 0.438 7 Y N -0.753 119.449 120.300 -0.164 0.000 2.224 7 Y HA -0.254 4.333 4.550 0.062 0.000 0.289 7 Y C 2.138 177.892 175.900 -0.242 0.000 1.146 7 Y CA 1.440 59.381 58.100 -0.266 0.000 1.182 7 Y CB -0.357 37.833 38.460 -0.449 0.000 0.983 7 Y HN 0.137 nan 8.280 nan 0.000 0.524 8 F N -0.612 119.300 119.950 -0.062 0.000 2.416 8 F HA -0.144 4.419 4.527 0.062 0.000 0.296 8 F C 2.264 177.989 175.800 -0.125 0.000 1.099 8 F CA 0.256 58.178 58.000 -0.130 0.000 1.427 8 F CB -0.070 38.925 39.000 -0.007 0.000 1.079 8 F HN 0.014 nan 8.300 nan 0.000 0.536 9 Q N 0.206 120.047 119.800 0.068 0.000 2.119 9 Q HA -0.076 4.301 4.340 0.062 0.000 0.201 9 Q C 2.526 178.500 176.000 -0.043 0.000 0.972 9 Q CA 1.454 57.264 55.803 0.012 0.000 0.847 9 Q CB -1.153 27.592 28.738 0.012 0.000 0.903 9 Q HN 0.461 nan 8.270 nan 0.000 0.433 10 G N 0.280 109.027 108.800 -0.087 0.000 2.448 10 G HA2 -0.165 3.832 3.960 0.062 0.000 0.218 10 G HA3 -0.165 3.832 3.960 0.062 0.000 0.218 10 G C 1.419 176.231 174.900 -0.147 0.000 1.135 10 G CA 0.349 45.383 45.100 -0.111 0.000 0.784 10 G HN 0.139 nan 8.290 nan 0.000 0.543 11 M N 0.475 119.944 119.600 -0.219 0.000 2.175 11 M HA 0.077 4.594 4.480 0.062 0.000 0.264 11 M C 2.363 178.617 176.300 -0.076 0.000 1.063 11 M CA 1.002 56.196 55.300 -0.177 0.000 1.119 11 M CB -0.778 31.699 32.600 -0.206 0.000 1.377 11 M HN 0.200 nan 8.290 nan 0.000 0.415 12 K N 0.266 120.634 120.400 -0.053 0.000 2.032 12 K HA -0.153 4.204 4.320 0.062 0.000 0.209 12 K C 2.053 178.620 176.600 -0.055 0.000 1.048 12 K CA 1.237 57.496 56.287 -0.047 0.000 0.927 12 K CB -0.085 32.386 32.500 -0.048 0.000 0.712 12 K HN 0.324 nan 8.250 nan 0.000 0.441 13 K N 0.815 121.180 120.400 -0.058 0.000 2.097 13 K HA -0.143 4.214 4.320 0.062 0.000 0.205 13 K C 1.993 178.568 176.600 -0.042 0.000 1.050 13 K CA 1.119 57.374 56.287 -0.052 0.000 0.938 13 K CB 0.033 32.504 32.500 -0.048 0.000 0.718 13 K HN 0.231 nan 8.250 nan 0.000 0.442 14 E N 0.777 120.951 120.200 -0.045 0.000 2.106 14 E HA -0.164 4.223 4.350 0.062 0.000 0.192 14 E C 1.849 178.438 176.600 -0.018 0.000 0.984 14 E CA 1.118 57.499 56.400 -0.031 0.000 0.806 14 E CB 0.148 29.826 29.700 -0.037 0.000 0.750 14 E HN 0.232 nan 8.360 nan 0.000 0.458 15 K N 0.268 120.655 120.400 -0.022 0.000 2.062 15 K HA -0.068 4.289 4.320 0.062 0.000 0.205 15 K C 2.187 178.784 176.600 -0.005 0.000 1.051 15 K CA 0.709 56.990 56.287 -0.011 0.000 0.941 15 K CB 0.018 32.509 32.500 -0.014 0.000 0.719 15 K HN -0.046 nan 8.250 nan 0.000 0.440 16 V N 2.173 122.075 119.914 -0.020 0.000 2.282 16 V HA -0.261 3.896 4.120 0.062 0.000 0.249 16 V C 2.188 178.282 176.094 0.000 0.000 1.057 16 V CA 1.803 64.091 62.300 -0.020 0.000 1.032 16 V CB -0.389 31.404 31.823 -0.050 0.000 0.645 16 V HN 0.307 nan 8.190 nan 0.000 0.447 17 E N -0.091 120.107 120.200 -0.003 0.000 2.118 17 E HA -0.251 4.136 4.350 0.062 0.000 0.195 17 E C 2.269 178.888 176.600 0.031 0.000 0.992 17 E CA 1.369 57.775 56.400 0.011 0.000 0.804 17 E CB -0.332 29.370 29.700 0.003 0.000 0.741 17 E HN 0.723 nan 8.360 nan 0.000 0.458 18 Q N 0.187 120.003 119.800 0.027 0.000 2.050 18 Q HA -0.104 4.273 4.340 0.062 0.000 0.202 18 Q C 2.414 178.447 176.000 0.055 0.000 0.980 18 Q CA 1.230 57.054 55.803 0.035 0.000 0.840 18 Q CB -0.188 28.565 28.738 0.024 0.000 0.898 18 Q HN 0.299 nan 8.270 nan 0.000 0.424 19 I N 0.449 121.056 120.570 0.063 0.000 2.179 19 I HA -0.277 3.930 4.170 0.062 0.000 0.242 19 I C 2.093 178.309 176.117 0.164 0.000 1.088 19 I CA 1.090 62.452 61.300 0.103 0.000 1.357 19 I CB -0.230 37.830 38.000 0.100 0.000 1.051 19 I HN 0.216 nan 8.210 nan 0.000 0.409 20 L N 0.528 121.837 121.223 0.143 0.000 2.275 20 L HA -0.132 4.245 4.340 0.062 0.000 0.215 20 L C 2.787 179.799 176.870 0.238 0.000 1.119 20 L CA 0.780 55.743 54.840 0.207 0.000 0.790 20 L CB -0.682 41.415 42.059 0.064 0.000 0.919 20 L HN 0.243 nan 8.230 nan 0.000 0.443 21 A N -0.029 122.877 122.820 0.143 0.000 2.084 21 A HA -0.278 4.079 4.320 0.062 0.000 0.221 21 A C 2.208 179.869 177.584 0.128 0.000 1.161 21 A CA 1.816 53.923 52.037 0.117 0.000 0.653 21 A CB -0.481 18.562 19.000 0.073 0.000 0.802 21 A HN 0.489 nan 8.150 nan 0.000 0.457 22 E N -1.244 119.031 120.200 0.126 0.000 2.209 22 E HA -0.186 4.201 4.350 0.062 0.000 0.196 22 E C 1.113 177.695 176.600 -0.030 0.000 0.993 22 E CA 1.066 57.483 56.400 0.028 0.000 0.819 22 E CB -0.187 29.495 29.700 -0.030 0.000 0.745 22 E HN 0.725 nan 8.360 nan 0.000 0.477 23 F N 1.107 121.103 119.950 0.076 0.000 2.748 23 F HA 0.035 4.598 4.527 0.062 0.000 0.299 23 F C 1.003 176.834 175.800 0.052 0.000 1.154 23 F CA 0.369 58.405 58.000 0.060 0.000 1.446 23 F CB 0.073 39.083 39.000 0.017 0.000 1.112 23 F HN -0.125 nan 8.300 nan 0.000 0.584 24 Q N 1.143 121.063 119.800 0.201 0.000 2.337 24 Q HA 0.344 4.721 4.340 0.062 0.000 0.270 24 Q C -0.744 175.338 176.000 0.137 0.000 1.002 24 Q CA 0.238 56.131 55.803 0.150 0.000 0.888 24 Q CB 0.846 29.653 28.738 0.115 0.000 1.222 24 Q HN 0.236 nan 8.270 nan 0.000 0.400 25 L N 2.890 124.194 121.223 0.135 0.000 2.376 25 L HA 0.291 4.668 4.340 0.062 0.000 0.275 25 L C -0.380 176.531 176.870 0.069 0.000 0.987 25 L CA -1.079 53.818 54.840 0.095 0.000 0.828 25 L CB 1.635 43.716 42.059 0.037 0.000 1.249 25 L HN 0.468 nan 8.230 nan 0.000 0.409 26 Q N 1.345 121.181 119.800 0.059 0.000 2.492 26 Q HA -0.021 4.356 4.340 0.062 0.000 0.238 26 Q C 1.010 177.000 176.000 -0.016 0.000 1.045 26 Q CA 0.064 55.884 55.803 0.028 0.000 0.934 26 Q CB 0.680 29.443 28.738 0.041 0.000 1.276 26 Q HN 0.654 nan 8.270 nan 0.000 0.521 27 E N 0.596 120.773 120.200 -0.038 0.000 2.153 27 E HA -0.266 4.121 4.350 0.062 0.000 0.194 27 E C 1.162 177.736 176.600 -0.043 0.000 0.988 27 E CA 1.605 57.963 56.400 -0.069 0.000 0.811 27 E CB 0.153 29.812 29.700 -0.069 0.000 0.746 27 E HN 0.571 nan 8.360 nan 0.000 0.466 28 E N 0.838 121.032 120.200 -0.010 0.000 2.152 28 E HA -0.172 4.215 4.350 0.062 0.000 0.192 28 E C 1.315 177.936 176.600 0.036 0.000 0.983 28 E CA 1.592 57.999 56.400 0.012 0.000 0.818 28 E CB -0.160 29.555 29.700 0.026 0.000 0.758 28 E HN 0.367 nan 8.360 nan 0.000 0.467 29 D N 0.149 120.578 120.400 0.048 0.000 2.117 29 D HA -0.151 4.526 4.640 0.062 0.000 0.197 29 D C 2.007 178.261 176.300 -0.076 0.000 0.987 29 D CA 0.986 55.029 54.000 0.072 0.000 0.829 29 D CB -0.217 40.626 40.800 0.073 0.000 0.961 29 D HN 0.286 nan 8.370 nan 0.000 0.460 30 L N 0.589 121.752 121.223 -0.101 0.000 2.046 30 L HA -0.142 4.235 4.340 0.062 0.000 0.208 30 L C 2.400 179.221 176.870 -0.081 0.000 1.077 30 L CA 1.092 55.860 54.840 -0.121 0.000 0.747 30 L CB -0.332 41.646 42.059 -0.135 0.000 0.896 30 L HN -0.021 nan 8.230 nan 0.000 0.432 31 K N 0.210 120.579 120.400 -0.051 0.000 2.148 31 K HA -0.208 4.149 4.320 0.062 0.000 0.204 31 K C 2.155 178.751 176.600 -0.007 0.000 1.050 31 K CA 1.153 57.420 56.287 -0.034 0.000 0.942 31 K CB -0.027 32.460 32.500 -0.022 0.000 0.724 31 K HN 0.181 nan 8.250 nan 0.000 0.446 32 K N 0.949 121.366 120.400 0.028 0.000 2.025 32 K HA -0.112 4.245 4.320 0.062 0.000 0.207 32 K C 1.975 178.632 176.600 0.094 0.000 1.049 32 K CA 1.040 57.378 56.287 0.085 0.000 0.933 32 K CB 0.047 32.648 32.500 0.170 0.000 0.714 32 K HN -0.116 nan 8.250 nan 0.000 0.438 33 V N 1.753 121.698 119.914 0.051 0.000 2.332 33 V HA -0.313 3.844 4.120 0.062 0.000 0.248 33 V C 2.411 178.480 176.094 -0.041 0.000 1.055 33 V CA 2.149 64.485 62.300 0.060 0.000 1.038 33 V CB -0.447 31.341 31.823 -0.059 0.000 0.651 33 V HN 0.494 nan 8.190 nan 0.000 0.450 34 M N -0.341 119.207 119.600 -0.088 0.000 2.065 34 M HA -0.244 4.273 4.480 0.062 0.000 0.259 34 M C 2.514 178.746 176.300 -0.112 0.000 1.069 34 M CA 2.008 57.228 55.300 -0.133 0.000 1.110 34 M CB -0.229 32.313 32.600 -0.097 0.000 1.328 34 M HN 0.168 nan 8.290 nan 0.000 0.405 35 R N -0.441 120.030 120.500 -0.047 0.000 2.083 35 R HA -0.143 4.234 4.340 0.062 0.000 0.237 35 R C 2.288 178.585 176.300 -0.005 0.000 1.137 35 R CA 1.947 58.034 56.100 -0.022 0.000 0.951 35 R CB -0.349 29.955 30.300 0.007 0.000 0.851 35 R HN 0.470 nan 8.270 nan 0.000 0.434 36 R N -0.020 120.510 120.500 0.050 0.000 2.083 36 R HA -0.161 4.216 4.340 0.062 0.000 0.237 36 R C 2.294 178.617 176.300 0.037 0.000 1.137 36 R CA 1.800 57.986 56.100 0.143 0.000 0.951 36 R CB -0.330 30.172 30.300 0.337 0.000 0.851 36 R HN 0.128 nan 8.270 nan 0.000 0.434 37 M N 1.145 120.559 119.600 -0.310 0.000 2.108 37 M HA -0.209 4.308 4.480 0.062 0.000 0.261 37 M C 1.884 177.991 176.300 -0.321 0.000 1.066 37 M CA 1.806 56.661 55.300 -0.741 0.000 1.107 37 M CB -0.073 31.987 32.600 -0.901 0.000 1.356 37 M HN 0.059 nan 8.290 nan 0.000 0.406 38 Q N -0.502 119.187 119.800 -0.187 0.000 2.079 38 Q HA -0.221 4.156 4.340 0.062 0.000 0.200 38 Q C 2.166 178.137 176.000 -0.048 0.000 0.974 38 Q CA 1.796 57.537 55.803 -0.104 0.000 0.840 38 Q CB -0.287 28.403 28.738 -0.080 0.000 0.898 38 Q HN 0.619 nan 8.270 nan 0.000 0.430 39 K N 0.632 121.019 120.400 -0.021 0.000 2.057 39 K HA -0.192 4.165 4.320 0.062 0.000 0.207 39 K C 1.770 178.393 176.600 0.039 0.000 1.049 39 K CA 1.238 57.536 56.287 0.019 0.000 0.931 39 K CB 0.189 32.715 32.500 0.043 0.000 0.714 39 K HN 0.027 nan 8.250 nan 0.000 0.440 40 E N 0.544 120.774 120.200 0.050 0.000 2.106 40 E HA -0.160 4.227 4.350 0.062 0.000 0.192 40 E C 2.008 178.644 176.600 0.061 0.000 0.984 40 E CA 1.249 57.701 56.400 0.087 0.000 0.806 40 E CB -0.155 29.654 29.700 0.181 0.000 0.750 40 E HN 0.461 nan 8.360 nan 0.000 0.458 41 M N 0.417 120.029 119.600 0.020 0.000 2.117 41 M HA -0.185 4.332 4.480 0.062 0.000 0.262 41 M C 2.016 178.354 176.300 0.063 0.000 1.065 41 M CA 1.631 56.958 55.300 0.045 0.000 1.114 41 M CB -0.289 32.313 32.600 0.003 0.000 1.361 41 M HN -0.036 nan 8.290 nan 0.000 0.408 42 D N 0.173 120.597 120.400 0.041 0.000 2.116 42 D HA -0.180 4.497 4.640 0.062 0.000 0.193 42 D C 1.973 178.310 176.300 0.062 0.000 0.998 42 D CA 1.635 55.663 54.000 0.047 0.000 0.836 42 D CB 0.122 40.941 40.800 0.031 0.000 0.951 42 D HN 0.183 nan 8.370 nan 0.000 0.449 43 R N -0.687 119.852 120.500 0.065 0.000 2.081 43 R HA 0.018 4.395 4.340 0.062 0.000 0.235 43 R C 2.518 178.881 176.300 0.104 0.000 1.131 43 R CA 1.290 57.433 56.100 0.073 0.000 0.960 43 R CB -0.510 29.828 30.300 0.063 0.000 0.856 43 R HN 0.264 nan 8.270 nan 0.000 0.436 44 G N 0.426 109.299 108.800 0.122 0.000 2.448 44 G HA2 -0.203 3.794 3.960 0.062 0.000 0.219 44 G HA3 -0.203 3.794 3.960 0.062 0.000 0.219 44 G C 1.309 176.369 174.900 0.267 0.000 1.127 44 G CA 0.421 45.644 45.100 0.204 0.000 0.766 44 G HN 0.165 nan 8.290 nan 0.000 0.552 45 L N -0.614 120.697 121.223 0.147 0.000 2.313 45 L HA 0.191 4.568 4.340 0.062 0.000 0.214 45 L C 1.414 178.317 176.870 0.055 0.000 1.119 45 L CA 0.156 55.046 54.840 0.084 0.000 0.809 45 L CB 0.045 42.147 42.059 0.071 0.000 0.933 45 L HN 0.030 nan 8.230 nan 0.000 0.449 46 R N -0.286 120.263 120.500 0.083 0.000 2.368 46 R HA 0.159 4.536 4.340 0.062 0.000 0.302 46 R C 0.711 177.060 176.300 0.082 0.000 1.002 46 R CA -0.713 55.423 56.100 0.061 0.000 0.929 46 R CB 1.405 31.739 30.300 0.057 0.000 1.073 46 R HN -0.116 nan 8.270 nan 0.000 0.464 47 L N 2.328 123.579 121.223 0.047 0.000 2.013 47 L HA -0.228 4.149 4.340 0.062 0.000 0.212 47 L C 2.192 179.107 176.870 0.075 0.000 1.073 47 L CA 1.817 56.688 54.840 0.051 0.000 0.753 47 L CB -0.734 41.338 42.059 0.023 0.000 0.890 47 L HN 0.745 nan 8.230 nan 0.000 0.432 48 E N -0.988 119.247 120.200 0.057 0.000 2.118 48 E HA -0.223 4.164 4.350 0.062 0.000 0.195 48 E C 1.502 178.138 176.600 0.061 0.000 0.992 48 E CA 1.945 58.376 56.400 0.051 0.000 0.804 48 E CB 0.200 29.923 29.700 0.038 0.000 0.741 48 E HN 0.653 nan 8.360 nan 0.000 0.458 49 T N -3.486 111.114 114.554 0.076 0.000 3.010 49 T HA 0.025 4.412 4.350 0.062 0.000 0.257 49 T C 1.369 176.118 174.700 0.082 0.000 1.020 49 T CA 0.291 62.431 62.100 0.068 0.000 0.938 49 T CB -0.188 68.715 68.868 0.058 0.000 1.049 49 T HN 0.192 nan 8.240 nan 0.000 0.522 50 H N 2.504 121.594 119.070 0.033 0.000 2.319 50 H HA -0.103 4.490 4.556 0.061 0.000 0.297 50 H C 2.028 177.380 175.328 0.040 0.000 1.097 50 H CA 2.300 58.370 56.048 0.038 0.000 1.285 50 H CB -0.030 29.753 29.762 0.034 0.000 1.368 50 H HN 0.226 nan 8.280 nan 0.000 0.495 51 E N 0.208 120.375 120.200 -0.055 0.000 2.106 51 E HA -0.170 4.217 4.350 0.062 0.000 0.192 51 E C 2.131 178.675 176.600 -0.093 0.000 0.984 51 E CA 1.477 57.819 56.400 -0.096 0.000 0.806 51 E CB -0.275 29.434 29.700 0.014 0.000 0.750 51 E HN 0.937 nan 8.360 nan 0.000 0.458 52 E N 0.881 121.052 120.200 -0.048 0.000 2.318 52 E HA 0.170 4.557 4.350 0.062 0.000 0.193 52 E C 0.628 177.210 176.600 -0.031 0.000 0.998 52 E CA 0.367 56.750 56.400 -0.028 0.000 0.859 52 E CB 0.023 29.722 29.700 -0.003 0.000 0.812 52 E HN 0.029 nan 8.360 nan 0.000 0.492 53 A N 1.798 124.589 122.820 -0.048 0.000 2.546 53 A HA 0.085 4.442 4.320 0.062 0.000 0.243 53 A C 1.300 178.875 177.584 -0.015 0.000 1.063 53 A CA 0.390 52.418 52.037 -0.016 0.000 0.757 53 A CB 0.275 19.271 19.000 -0.007 0.000 0.991 53 A HN 0.406 nan 8.150 nan 0.000 0.503 54 S N 1.621 117.347 115.700 0.043 0.000 2.470 54 S HA 0.054 4.561 4.470 0.062 0.000 0.225 54 S C 0.399 175.066 174.600 0.113 0.000 1.006 54 S CA 0.696 58.936 58.200 0.066 0.000 0.934 54 S CB -0.183 63.062 63.200 0.075 0.000 0.778 54 S HN 0.509 nan 8.310 nan 0.000 0.517 55 V N 3.206 123.200 119.914 0.132 0.000 2.304 55 V HA 0.350 4.507 4.120 0.062 0.000 0.269 55 V C 0.650 176.815 176.094 0.118 0.000 1.036 55 V CA -0.596 61.796 62.300 0.153 0.000 0.840 55 V CB 1.238 33.159 31.823 0.162 0.000 1.036 55 V HN 0.211 nan 8.190 nan 0.000 0.466 56 K N 3.579 124.049 120.400 0.116 0.000 2.365 56 K HA 0.195 4.552 4.320 0.062 0.000 0.197 56 K C 0.845 177.586 176.600 0.236 0.000 1.042 56 K CA 0.162 56.522 56.287 0.122 0.000 0.987 56 K CB -0.034 32.531 32.500 0.109 0.000 0.779 56 K HN 0.660 nan 8.250 nan 0.000 0.484 57 M N 0.822 120.525 119.600 0.173 0.000 2.516 57 M HA -0.224 4.293 4.480 0.062 0.000 0.183 57 M C -0.746 175.617 176.300 0.105 0.000 0.928 57 M CA 0.688 56.076 55.300 0.146 0.000 0.573 57 M CB -2.534 30.162 32.600 0.160 0.000 1.126 57 M HN -0.008 nan 8.290 nan 0.000 0.859 58 L N 2.240 123.519 121.223 0.092 0.000 2.281 58 L HA 0.349 4.726 4.340 0.062 0.000 0.285 58 L C -1.577 175.281 176.870 -0.020 0.000 1.074 58 L CA -1.775 53.111 54.840 0.077 0.000 0.817 58 L CB 0.606 42.747 42.059 0.136 0.000 1.168 58 L HN 0.103 nan 8.230 nan 0.000 0.434 59 P HA -0.008 nan 4.420 nan 0.000 0.265 59 P C 0.598 177.780 177.300 -0.198 0.000 1.193 59 P CA 0.025 62.985 63.100 -0.232 0.000 0.765 59 P CB 0.688 32.166 31.700 -0.371 0.000 0.823 60 T N -0.742 113.628 114.554 -0.307 0.000 3.022 60 T HA 0.040 4.427 4.350 0.062 0.000 0.250 60 T C 0.520 175.067 174.700 -0.256 0.000 1.060 60 T CA -0.042 61.832 62.100 -0.377 0.000 1.013 60 T CB -0.866 67.831 68.868 -0.285 0.000 0.982 60 T HN 0.297 nan 8.240 nan 0.000 0.508 61 Y N 0.207 120.362 120.300 -0.243 0.000 4.324 61 Y HA -0.181 4.405 4.550 0.061 0.000 0.224 61 Y C 0.009 175.814 175.900 -0.158 0.000 1.113 61 Y CA 0.027 58.027 58.100 -0.166 0.000 1.887 61 Y CB -2.475 35.914 38.460 -0.118 0.000 1.602 61 Y HN 0.217 nan 8.280 nan 0.000 0.654 62 V N 2.332 122.180 119.914 -0.110 0.000 2.364 62 V HA 0.385 4.542 4.120 0.062 0.000 0.272 62 V C 0.575 176.580 176.094 -0.149 0.000 1.036 62 V CA -0.835 61.394 62.300 -0.119 0.000 0.880 62 V CB 1.310 33.049 31.823 -0.141 0.000 0.991 62 V HN 0.092 nan 8.190 nan 0.000 0.460 63 R N 2.527 122.950 120.500 -0.129 0.000 2.782 63 R HA 0.428 4.805 4.340 0.062 0.000 0.258 63 R C 1.395 177.604 176.300 -0.151 0.000 1.055 63 R CA -0.054 55.967 56.100 -0.132 0.000 1.065 63 R CB 1.459 31.702 30.300 -0.094 0.000 1.172 63 R HN 0.737 nan 8.270 nan 0.000 0.510 64 S N -0.378 115.241 115.700 -0.135 0.000 2.368 64 S HA -0.121 4.386 4.470 0.062 0.000 0.224 64 S C 1.245 175.769 174.600 -0.127 0.000 1.029 64 S CA 1.106 59.226 58.200 -0.135 0.000 0.988 64 S CB -0.192 62.954 63.200 -0.090 0.000 0.838 64 S HN 0.634 nan 8.310 nan 0.000 0.462 65 T N 4.380 118.878 114.554 -0.093 0.000 3.145 65 T HA 0.579 4.966 4.350 0.062 0.000 0.348 65 T C -2.461 172.194 174.700 -0.075 0.000 1.299 65 T CA -1.798 60.258 62.100 -0.073 0.000 1.037 65 T CB -0.047 68.793 68.868 -0.047 0.000 1.122 65 T HN 0.279 nan 8.240 nan 0.000 0.600 70 E N -0.203 120.011 120.200 0.023 0.000 2.292 70 E HA 0.742 5.129 4.350 0.062 0.000 0.258 70 E C -0.098 176.553 176.600 0.086 0.000 1.115 70 E CA -0.361 56.089 56.400 0.083 0.000 0.929 70 E CB 1.655 31.466 29.700 0.185 0.000 1.161 70 E HN 1.172 nan 8.360 nan 0.000 0.453 71 V N -1.396 118.582 119.914 0.107 0.000 3.164 71 V HA 1.022 5.179 4.120 0.062 0.000 0.313 71 V C 0.357 176.547 176.094 0.160 0.000 1.188 71 V CA 0.108 62.459 62.300 0.086 0.000 1.058 71 V CB 0.840 32.639 31.823 -0.039 0.000 1.110 71 V HN 1.012 nan 8.190 nan 0.000 0.453 72 G N 1.017 109.887 108.800 0.115 0.000 2.447 72 G HA2 -0.010 3.987 3.960 0.062 0.000 0.220 72 G HA3 -0.010 3.987 3.960 0.062 0.000 0.220 72 G C -1.360 173.591 174.900 0.085 0.000 1.261 72 G CA -0.087 45.039 45.100 0.044 0.000 1.000 72 G HN 1.127 nan 8.290 nan 0.000 0.515 73 D N 0.417 120.769 120.400 -0.079 0.000 2.308 73 D HA 0.649 5.326 4.640 0.062 0.000 0.251 73 D C -0.223 175.924 176.300 -0.255 0.000 1.127 73 D CA 0.592 54.565 54.000 -0.045 0.000 0.876 73 D CB 0.697 41.465 40.800 -0.052 0.000 1.176 73 D HN 0.332 nan 8.370 nan 0.000 0.446 74 F N 0.866 120.822 119.950 0.009 0.000 2.577 74 F HA 0.450 5.003 4.527 0.043 0.000 0.318 74 F C -0.383 175.427 175.800 0.016 0.000 1.065 74 F CA -1.195 56.810 58.000 0.009 0.000 0.929 74 F CB 1.443 40.441 39.000 -0.003 0.000 1.237 74 F HN 0.073 nan 8.300 nan 0.000 0.468 75 L N 1.635 122.961 121.223 0.172 0.000 2.322 75 L HA 0.662 5.039 4.340 0.062 0.000 0.281 75 L C -0.660 176.259 176.870 0.081 0.000 1.014 75 L CA 0.098 54.989 54.840 0.085 0.000 0.815 75 L CB 1.538 43.619 42.059 0.037 0.000 1.247 75 L HN 0.509 nan 8.230 nan 0.000 0.421 76 S N 5.168 120.874 115.700 0.010 0.000 2.473 76 S HA 0.717 5.224 4.470 0.062 0.000 0.307 76 S C -0.756 173.811 174.600 -0.056 0.000 1.094 76 S CA -0.566 57.645 58.200 0.019 0.000 1.070 76 S CB 1.153 64.363 63.200 0.016 0.000 1.019 76 S HN 0.474 nan 8.310 nan 0.000 0.480 77 L N 2.605 123.855 121.223 0.045 0.000 2.334 77 L HA 0.657 5.034 4.340 0.062 0.000 0.273 77 L C -0.486 176.505 176.870 0.202 0.000 1.013 77 L CA -0.713 54.141 54.840 0.023 0.000 0.816 77 L CB 1.383 43.523 42.059 0.135 0.000 1.278 77 L HN 0.530 nan 8.230 nan 0.000 0.431 78 D N 3.151 123.584 120.400 0.054 0.000 2.686 78 D HA 0.416 5.093 4.640 0.062 0.000 0.249 78 D C -1.866 174.647 176.300 0.354 0.000 1.260 78 D CA -0.335 53.782 54.000 0.194 0.000 0.910 78 D CB 2.464 43.282 40.800 0.030 0.000 1.323 78 D HN 0.287 nan 8.370 nan 0.000 0.561 79 L N 3.593 125.138 121.223 0.536 0.000 2.376 79 L HA 0.774 5.151 4.340 0.062 0.000 0.275 79 L C 0.392 177.378 176.870 0.193 0.000 0.987 79 L CA 0.153 55.343 54.840 0.583 0.000 0.828 79 L CB 1.796 44.407 42.059 0.920 0.000 1.249 79 L HN 0.598 nan 8.230 nan 0.000 0.409 80 G N 2.310 111.156 108.800 0.076 0.000 4.187 80 G HA2 0.244 4.241 3.960 0.062 0.000 0.174 80 G HA3 0.244 4.241 3.960 0.062 0.000 0.174 80 G C 0.257 175.102 174.900 -0.092 0.000 0.947 80 G CA 0.359 45.263 45.100 -0.327 0.000 0.940 80 G HN 0.989 nan 8.290 nan 0.000 0.410 81 G N 0.192 109.048 108.800 0.092 0.000 2.641 81 G HA2 0.429 4.426 3.960 0.062 0.000 0.239 81 G HA3 0.429 4.426 3.960 0.062 0.000 0.239 81 G C 1.351 176.414 174.900 0.270 0.000 1.402 81 G CA 1.182 46.369 45.100 0.146 0.000 1.046 81 G HN 0.583 nan 8.290 nan 0.000 0.565 82 T N -1.443 113.205 114.554 0.158 0.000 3.035 82 T HA -0.017 4.370 4.350 0.062 0.000 0.268 82 T C 0.584 175.380 174.700 0.160 0.000 1.109 82 T CA 0.814 62.987 62.100 0.122 0.000 1.119 82 T CB -0.450 68.442 68.868 0.041 0.000 0.900 82 T HN 0.528 nan 8.240 nan 0.000 0.503 83 N N 0.603 119.417 118.700 0.189 0.000 2.321 83 N HA 0.453 5.230 4.740 0.062 0.000 0.299 83 N C -1.591 174.113 175.510 0.324 0.000 1.048 83 N CA -1.399 51.788 53.050 0.228 0.000 0.836 83 N CB 0.961 39.530 38.487 0.137 0.000 1.269 83 N HN 0.298 nan 8.380 nan 0.000 0.486 84 F N 1.423 121.522 119.950 0.248 0.000 2.410 84 F HA 0.521 5.089 4.527 0.069 0.000 0.349 84 F C -0.198 175.752 175.800 0.249 0.000 1.117 84 F CA -0.836 57.320 58.000 0.261 0.000 1.104 84 F CB 0.904 40.073 39.000 0.281 0.000 1.122 84 F HN 0.327 nan 8.300 nan 0.000 0.483 85 R N 5.370 125.584 120.500 -0.477 0.000 2.494 85 R HA 0.675 5.052 4.340 0.062 0.000 0.305 85 R C -1.563 174.349 176.300 -0.648 0.000 0.959 85 R CA -1.077 54.793 56.100 -0.384 0.000 0.864 85 R CB 2.279 32.477 30.300 -0.169 0.000 1.159 85 R HN 0.456 nan 8.270 nan 0.000 0.446 86 V N 4.302 123.908 119.914 -0.514 0.000 2.628 86 V HA 0.627 4.784 4.120 0.062 0.000 0.306 86 V C -0.185 175.492 176.094 -0.695 0.000 1.045 86 V CA -0.836 61.073 62.300 -0.651 0.000 0.905 86 V CB 1.733 33.092 31.823 -0.774 0.000 0.997 86 V HN 0.864 nan 8.190 nan 0.000 0.436 87 M N 4.746 124.015 119.600 -0.552 0.000 2.414 87 M HA 0.722 5.239 4.480 0.062 0.000 0.287 87 M C -2.171 174.079 176.300 -0.084 0.000 1.181 87 M CA -0.691 54.447 55.300 -0.270 0.000 0.933 87 M CB 2.076 34.637 32.600 -0.065 0.000 1.732 87 M HN 0.489 nan 8.290 nan 0.000 0.486 88 L N 4.197 125.489 121.223 0.115 0.000 2.276 88 L HA 0.825 5.202 4.340 0.062 0.000 0.286 88 L C -1.395 175.544 176.870 0.114 0.000 1.061 88 L CA -0.279 54.645 54.840 0.139 0.000 0.807 88 L CB 1.553 43.699 42.059 0.145 0.000 1.177 88 L HN 0.724 nan 8.230 nan 0.000 0.429 89 V N 4.893 124.887 119.914 0.134 0.000 2.709 89 V HA 0.642 4.799 4.120 0.062 0.000 0.308 89 V C -0.852 175.352 176.094 0.183 0.000 1.062 89 V CA -0.725 61.658 62.300 0.137 0.000 0.901 89 V CB 2.019 33.900 31.823 0.097 0.000 1.003 89 V HN 0.822 nan 8.190 nan 0.000 0.425 90 K N 4.334 124.843 120.400 0.181 0.000 2.211 90 K HA 0.689 5.046 4.320 0.062 0.000 0.275 90 K C -0.900 175.749 176.600 0.082 0.000 1.024 90 K CA -0.203 56.200 56.287 0.194 0.000 0.887 90 K CB 1.757 34.420 32.500 0.272 0.000 1.084 90 K HN 0.613 nan 8.250 nan 0.000 0.463 91 V N 2.561 122.437 119.914 -0.062 0.000 2.417 91 V HA 0.805 4.962 4.120 0.062 0.000 0.291 91 V C 0.327 176.011 176.094 -0.683 0.000 1.024 91 V CA -0.515 61.560 62.300 -0.375 0.000 0.861 91 V CB 1.580 33.201 31.823 -0.336 0.000 0.985 91 V HN 0.871 nan 8.190 nan 0.000 0.436 92 G N 3.312 111.253 108.800 -1.432 0.000 2.708 92 G HA2 0.655 4.652 3.960 0.062 0.000 0.289 92 G HA3 0.655 4.652 3.960 0.062 0.000 0.289 92 G C -1.245 172.893 174.900 -1.269 0.000 1.416 92 G CA -0.478 43.760 45.100 -1.437 0.000 0.829 92 G HN 0.443 nan 8.290 nan 0.000 0.480 98 Q N 1.341 121.272 119.800 0.219 0.000 2.274 98 Q HA 0.442 4.819 4.340 0.062 0.000 0.256 98 Q C 0.001 175.873 176.000 -0.213 0.000 0.927 98 Q CA -0.481 55.275 55.803 -0.078 0.000 0.939 98 Q CB 1.022 29.660 28.738 -0.167 0.000 1.201 98 Q HN 0.625 nan 8.270 nan 0.000 0.426 99 W N 0.962 121.974 121.300 -0.481 0.000 2.253 99 W HA 0.734 5.403 4.660 0.015 0.000 0.348 99 W C -0.634 175.690 176.519 -0.324 0.000 1.229 99 W CA -0.982 55.901 57.345 -0.770 0.000 1.335 99 W CB 0.467 29.435 29.460 -0.820 0.000 1.165 99 W HN 0.606 nan 8.180 nan 0.000 0.631 100 S N 0.613 116.393 115.700 0.134 0.000 2.546 100 S HA 0.635 5.142 4.470 0.062 0.000 0.274 100 S C -1.424 173.297 174.600 0.201 0.000 1.121 100 S CA -0.969 57.318 58.200 0.145 0.000 0.887 100 S CB 1.985 65.178 63.200 -0.011 0.000 1.094 100 S HN 0.780 nan 8.310 nan 0.000 0.474 101 V N 1.924 121.968 119.914 0.215 0.000 2.668 101 V HA 0.572 4.729 4.120 0.062 0.000 0.304 101 V C -0.756 175.410 176.094 0.119 0.000 1.071 101 V CA -0.762 61.627 62.300 0.148 0.000 0.894 101 V CB 1.744 33.650 31.823 0.138 0.000 1.008 101 V HN 1.080 nan 8.190 nan 0.000 0.425 102 K N 3.824 124.276 120.400 0.086 0.000 2.378 102 K HA 0.263 4.620 4.320 0.062 0.000 0.288 102 K C 0.863 177.529 176.600 0.111 0.000 1.057 102 K CA 0.704 57.046 56.287 0.092 0.000 0.971 102 K CB 0.991 33.531 32.500 0.068 0.000 0.975 102 K HN 0.973 nan 8.250 nan 0.000 0.475 103 T N 1.059 115.681 114.554 0.114 0.000 3.026 103 T HA 0.229 4.616 4.350 0.062 0.000 0.245 103 T C 0.135 174.872 174.700 0.062 0.000 1.004 103 T CA -0.101 62.053 62.100 0.089 0.000 1.069 103 T CB 0.388 69.301 68.868 0.075 0.000 1.005 103 T HN 0.309 nan 8.240 nan 0.000 0.472 104 K N 1.875 122.309 120.400 0.056 0.000 2.464 104 K HA 0.531 4.888 4.320 0.062 0.000 0.253 104 K C -1.623 175.084 176.600 0.177 0.000 0.933 104 K CA -0.498 55.765 56.287 -0.040 0.000 0.801 104 K CB 2.114 34.368 32.500 -0.410 0.000 1.271 104 K HN 0.763 nan 8.250 nan 0.000 0.430 105 H N -1.073 118.120 119.070 0.205 0.000 2.974 105 H HA 0.595 5.180 4.556 0.049 0.000 0.366 105 H C -1.274 174.205 175.328 0.252 0.000 1.155 105 H CA -0.805 55.342 56.048 0.163 0.000 1.186 105 H CB 1.867 31.655 29.762 0.043 0.000 1.799 105 H HN 0.420 nan 8.280 nan 0.000 0.541 106 Q N 2.689 122.627 119.800 0.231 0.000 2.340 106 Q HA 0.386 4.763 4.340 0.062 0.000 0.276 106 Q C -1.638 174.278 176.000 -0.141 0.000 1.048 106 Q CA -1.239 54.613 55.803 0.082 0.000 0.832 106 Q CB 2.820 31.671 28.738 0.189 0.000 1.373 106 Q HN 0.787 nan 8.270 nan 0.000 0.409 107 M N 3.002 122.442 119.600 -0.266 0.000 2.528 107 M HA 0.496 5.013 4.480 0.062 0.000 0.321 107 M C -2.086 173.983 176.300 -0.386 0.000 1.153 107 M CA -0.386 54.798 55.300 -0.194 0.000 0.951 107 M CB 1.351 33.923 32.600 -0.048 0.000 1.705 107 M HN 0.742 nan 8.290 nan 0.000 0.451 108 Y N 0.513 120.919 120.300 0.177 0.000 2.462 108 Y HA 0.403 4.988 4.550 0.059 0.000 0.346 108 Y C 0.227 176.294 175.900 0.278 0.000 0.976 108 Y CA -0.591 57.658 58.100 0.248 0.000 1.044 108 Y CB 2.098 40.742 38.460 0.306 0.000 1.230 108 Y HN 0.703 nan 8.280 nan 0.000 0.455 109 S N 3.088 119.005 115.700 0.361 0.000 2.505 109 S HA 0.445 4.952 4.470 0.062 0.000 0.276 109 S C -0.353 174.379 174.600 0.219 0.000 1.274 109 S CA -0.508 57.830 58.200 0.230 0.000 1.053 109 S CB -0.203 63.073 63.200 0.126 0.000 0.919 109 S HN 0.492 nan 8.310 nan 0.000 0.490 110 I N 7.753 128.393 120.570 0.117 0.000 2.337 110 I HA 0.253 4.460 4.170 0.062 0.000 0.291 110 I C -1.751 174.206 176.117 -0.267 0.000 1.046 110 I CA -2.121 59.121 61.300 -0.096 0.000 1.324 110 I CB 0.703 38.679 38.000 -0.041 0.000 1.409 110 I HN 0.453 nan 8.210 nan 0.000 0.494 111 P HA -0.008 nan 4.420 nan 0.000 0.267 111 P C 0.447 177.571 177.300 -0.294 0.000 1.200 111 P CA -0.061 62.835 63.100 -0.340 0.000 0.772 111 P CB 0.975 32.434 31.700 -0.403 0.000 0.855 112 E N 1.997 122.069 120.200 -0.215 0.000 2.085 112 E HA -0.205 4.182 4.350 0.062 0.000 0.194 112 E C 1.446 177.916 176.600 -0.217 0.000 0.994 112 E CA 1.621 57.898 56.400 -0.205 0.000 0.801 112 E CB -0.427 29.185 29.700 -0.146 0.000 0.743 112 E HN 0.619 nan 8.360 nan 0.000 0.453 113 D N 0.293 120.581 120.400 -0.186 0.000 2.190 113 D HA -0.175 4.502 4.640 0.062 0.000 0.200 113 D C 1.699 177.884 176.300 -0.191 0.000 0.992 113 D CA 1.403 55.306 54.000 -0.162 0.000 0.854 113 D CB -0.244 40.481 40.800 -0.126 0.000 0.936 113 D HN 0.130 nan 8.370 nan 0.000 0.462 114 A N 0.414 123.081 122.820 -0.255 0.000 2.016 114 A HA 0.065 4.422 4.320 0.062 0.000 0.217 114 A C 2.383 179.764 177.584 -0.339 0.000 1.162 114 A CA 0.595 52.473 52.037 -0.264 0.000 0.662 114 A CB -0.406 18.396 19.000 -0.330 0.000 0.812 114 A HN 0.141 nan 8.150 nan 0.000 0.450 115 M N -1.463 117.870 119.600 -0.445 0.000 2.388 115 M HA -0.015 4.502 4.480 0.062 0.000 0.265 115 M C 1.204 177.169 176.300 -0.559 0.000 1.088 115 M CA 1.243 56.121 55.300 -0.704 0.000 1.134 115 M CB 0.235 32.311 32.600 -0.873 0.000 1.384 115 M HN 0.304 nan 8.290 nan 0.000 0.447 116 T N -0.709 113.638 114.554 -0.345 0.000 3.040 116 T HA 0.221 4.607 4.350 0.062 0.000 0.266 116 T C 0.955 175.573 174.700 -0.136 0.000 1.005 116 T CA 0.122 62.086 62.100 -0.227 0.000 0.906 116 T CB 0.469 69.230 68.868 -0.179 0.000 1.082 116 T HN 0.443 nan 8.240 nan 0.000 0.531 117 G N 2.093 110.815 108.800 -0.131 0.000 3.152 117 G HA2 0.358 4.355 3.960 0.062 0.000 0.157 117 G HA3 0.358 4.355 3.960 0.062 0.000 0.157 117 G C 0.337 175.227 174.900 -0.017 0.000 1.786 117 G CA 0.265 45.326 45.100 -0.065 0.000 1.055 117 G HN 0.446 nan 8.290 nan 0.000 0.528 118 T N -2.936 111.626 114.554 0.013 0.000 2.943 118 T HA 0.577 4.964 4.350 0.062 0.000 0.284 118 T C 1.429 176.205 174.700 0.126 0.000 1.015 118 T CA 0.376 62.520 62.100 0.073 0.000 1.042 118 T CB 1.707 70.615 68.868 0.067 0.000 1.055 118 T HN 0.741 nan 8.240 nan 0.000 0.500 119 A N 0.641 123.594 122.820 0.222 0.000 1.948 119 A HA -0.135 4.222 4.320 0.062 0.000 0.220 119 A C 2.230 180.040 177.584 0.378 0.000 1.177 119 A CA 2.126 54.395 52.037 0.386 0.000 0.636 119 A CB -1.181 18.072 19.000 0.421 0.000 0.815 119 A HN 1.066 nan 8.150 nan 0.000 0.449 120 E N -0.566 119.766 120.200 0.220 0.000 2.058 120 E HA -0.252 4.135 4.350 0.062 0.000 0.194 120 E C 2.023 178.711 176.600 0.146 0.000 0.997 120 E CA 1.724 58.225 56.400 0.168 0.000 0.801 120 E CB -0.259 29.497 29.700 0.093 0.000 0.746 120 E HN 0.662 nan 8.360 nan 0.000 0.450 121 M N 0.033 119.690 119.600 0.096 0.000 2.073 121 M HA -0.195 4.322 4.480 0.062 0.000 0.258 121 M C 2.406 178.736 176.300 0.049 0.000 1.070 121 M CA 1.239 56.571 55.300 0.053 0.000 1.103 121 M CB -0.404 32.197 32.600 0.002 0.000 1.321 121 M HN 0.250 nan 8.290 nan 0.000 0.405 122 L N -0.012 121.221 121.223 0.018 0.000 1.971 122 L HA -0.193 4.184 4.340 0.062 0.000 0.215 122 L C 2.015 178.796 176.870 -0.149 0.000 1.072 122 L CA 2.140 56.914 54.840 -0.111 0.000 0.758 122 L CB -0.875 41.061 42.059 -0.205 0.000 0.889 122 L HN 0.180 nan 8.230 nan 0.000 0.433 123 F N -0.526 119.462 119.950 0.063 0.000 2.367 123 F HA -0.082 4.481 4.527 0.060 0.000 0.298 123 F C 2.195 177.983 175.800 -0.020 0.000 1.094 123 F CA 0.811 58.820 58.000 0.015 0.000 1.409 123 F CB -0.514 38.506 39.000 0.033 0.000 1.064 123 F HN 0.148 nan 8.300 nan 0.000 0.528 124 D N -0.489 120.004 120.400 0.155 0.000 2.104 124 D HA -0.264 4.413 4.640 0.062 0.000 0.194 124 D C 1.984 178.309 176.300 0.042 0.000 0.994 124 D CA 1.423 55.473 54.000 0.084 0.000 0.830 124 D CB -0.770 40.077 40.800 0.080 0.000 0.959 124 D HN 0.332 nan 8.370 nan 0.000 0.452 125 Y N 1.073 121.325 120.300 -0.079 0.000 2.165 125 Y HA -0.186 4.403 4.550 0.064 0.000 0.286 125 Y C 2.241 178.004 175.900 -0.229 0.000 1.155 125 Y CA 1.284 59.305 58.100 -0.132 0.000 1.164 125 Y CB -0.161 38.211 38.460 -0.146 0.000 0.978 125 Y HN -0.060 nan 8.280 nan 0.000 0.513 126 I N -0.778 119.563 120.570 -0.381 0.000 2.208 126 I HA -0.363 3.844 4.170 0.062 0.000 0.245 126 I C 2.333 178.245 176.117 -0.341 0.000 1.097 126 I CA 1.701 62.599 61.300 -0.669 0.000 1.363 126 I CB -0.516 37.110 38.000 -0.623 0.000 1.051 126 I HN 0.192 nan 8.210 nan 0.000 0.413 127 S N 0.008 115.644 115.700 -0.106 0.000 2.383 127 S HA -0.214 4.293 4.470 0.062 0.000 0.227 127 S C 1.858 176.510 174.600 0.086 0.000 1.026 127 S CA 1.276 59.538 58.200 0.105 0.000 0.981 127 S CB -0.275 62.991 63.200 0.111 0.000 0.818 127 S HN 0.484 nan 8.310 nan 0.000 0.472 128 E N 0.671 120.827 120.200 -0.073 0.000 2.049 128 E HA -0.230 4.157 4.350 0.062 0.000 0.198 128 E C 1.986 178.443 176.600 -0.239 0.000 1.007 128 E CA 1.718 58.048 56.400 -0.117 0.000 0.809 128 E CB -0.289 29.316 29.700 -0.160 0.000 0.749 128 E HN 0.496 nan 8.360 nan 0.000 0.450 129 C N 0.435 119.430 119.300 -0.508 0.000 2.413 129 C HA -0.142 4.355 4.460 0.062 0.000 0.276 129 C C 2.639 177.427 174.990 -0.337 0.000 1.236 129 C CA 0.805 59.376 59.018 -0.745 0.000 1.735 129 C CB -0.987 26.192 27.740 -0.935 0.000 2.031 129 C HN 0.511 nan 8.230 nan 0.000 0.474 130 I N 1.895 122.380 120.570 -0.142 0.000 2.208 130 I HA -0.212 3.995 4.170 0.062 0.000 0.245 130 I C 2.513 178.482 176.117 -0.248 0.000 1.097 130 I CA 2.033 63.236 61.300 -0.161 0.000 1.363 130 I CB -0.517 37.328 38.000 -0.257 0.000 1.051 130 I HN 0.396 nan 8.210 nan 0.000 0.413 131 S N 0.200 115.813 115.700 -0.146 0.000 2.368 131 S HA -0.239 4.268 4.470 0.062 0.000 0.224 131 S C 1.625 176.238 174.600 0.022 0.000 1.029 131 S CA 1.453 59.639 58.200 -0.024 0.000 0.988 131 S CB -0.661 62.679 63.200 0.233 0.000 0.838 131 S HN 0.547 nan 8.310 nan 0.000 0.462 132 D N 0.937 121.356 120.400 0.032 0.000 2.123 132 D HA -0.193 4.484 4.640 0.062 0.000 0.196 132 D C 1.674 178.062 176.300 0.147 0.000 0.992 132 D CA 1.141 55.190 54.000 0.080 0.000 0.833 132 D CB -0.348 40.515 40.800 0.104 0.000 0.954 132 D HN 0.343 nan 8.370 nan 0.000 0.455 133 F N 0.604 120.601 119.950 0.078 0.000 2.146 133 F HA 0.000 4.551 4.527 0.039 0.000 0.298 133 F C 1.847 177.726 175.800 0.132 0.000 1.096 133 F CA 1.176 59.276 58.000 0.167 0.000 1.275 133 F CB -0.143 38.955 39.000 0.162 0.000 1.008 133 F HN 0.007 nan 8.300 nan 0.000 0.480 134 L N -0.343 120.935 121.223 0.093 0.000 2.275 134 L HA -0.159 4.218 4.340 0.062 0.000 0.215 134 L C 1.960 178.796 176.870 -0.055 0.000 1.119 134 L CA 0.813 55.642 54.840 -0.020 0.000 0.790 134 L CB -0.725 41.293 42.059 -0.069 0.000 0.919 134 L HN 0.090 nan 8.230 nan 0.000 0.443 135 D N 0.561 120.933 120.400 -0.046 0.000 2.085 135 D HA -0.128 4.549 4.640 0.062 0.000 0.199 135 D C 1.961 178.168 176.300 -0.155 0.000 0.981 135 D CA 1.065 55.026 54.000 -0.064 0.000 0.834 135 D CB -0.002 40.782 40.800 -0.027 0.000 0.992 135 D HN 0.133 nan 8.370 nan 0.000 0.457 136 K N -0.061 120.195 120.400 -0.241 0.000 2.589 136 K HA -0.122 4.235 4.320 0.062 0.000 0.195 136 K C 0.300 176.366 176.600 -0.891 0.000 1.040 136 K CA 0.784 56.776 56.287 -0.490 0.000 0.950 136 K CB -0.122 32.071 32.500 -0.512 0.000 0.781 136 K HN 0.410 nan 8.250 nan 0.000 0.486 137 H N -0.912 117.986 119.070 -0.287 0.000 3.007 137 H HA 0.096 4.703 4.556 0.086 0.000 0.251 137 H C -0.757 174.472 175.328 -0.164 0.000 1.188 137 H CA -0.443 55.444 56.048 -0.267 0.000 1.017 137 H CB 0.757 30.259 29.762 -0.433 0.000 1.805 137 H HN -0.032 nan 8.280 nan 0.000 0.659 138 Q N 0.904 120.664 119.800 -0.067 0.000 2.435 138 Q HA -0.220 4.157 4.340 0.062 0.000 0.312 138 Q C 0.107 176.098 176.000 -0.015 0.000 1.333 138 Q CA 1.354 57.134 55.803 -0.037 0.000 0.883 138 Q CB -1.427 27.290 28.738 -0.035 0.000 1.170 138 Q HN 0.789 nan 8.270 nan 0.000 0.443 139 M N -3.437 116.155 119.600 -0.013 0.000 3.039 139 M HA 0.377 4.894 4.480 0.062 0.000 0.442 139 M C 0.032 176.336 176.300 0.007 0.000 1.408 139 M CA -0.564 54.736 55.300 -0.001 0.000 0.804 139 M CB 0.874 33.473 32.600 -0.001 0.000 1.471 139 M HN 0.044 nan 8.290 nan 0.000 0.516 144 L N 2.255 123.459 121.223 -0.032 0.000 2.472 144 L HA 0.442 4.819 4.340 0.062 0.000 0.260 144 L C -2.062 174.755 176.870 -0.089 0.000 1.209 144 L CA -1.590 53.190 54.840 -0.100 0.000 0.817 144 L CB -0.265 41.746 42.059 -0.081 0.000 1.106 144 L HN 0.375 nan 8.230 nan 0.000 0.479 145 P HA 0.279 nan 4.420 nan 0.000 0.286 145 P C -1.115 176.242 177.300 0.095 0.000 1.269 145 P CA -0.398 62.671 63.100 -0.051 0.000 0.787 145 P CB 1.085 32.720 31.700 -0.108 0.000 0.920 146 L N 3.606 124.907 121.223 0.130 0.000 2.313 146 L HA 0.734 5.111 4.340 0.062 0.000 0.283 146 L C -0.022 176.955 176.870 0.178 0.000 1.013 146 L CA -0.307 54.618 54.840 0.141 0.000 0.816 146 L CB 1.046 43.165 42.059 0.101 0.000 1.236 146 L HN 0.489 nan 8.230 nan 0.000 0.419 147 G N 4.325 113.241 108.800 0.192 0.000 2.372 147 G HA2 0.411 4.408 3.960 0.062 0.000 0.323 147 G HA3 0.411 4.408 3.960 0.062 0.000 0.323 147 G C -1.476 173.595 174.900 0.286 0.000 1.152 147 G CA -0.403 44.820 45.100 0.204 0.000 0.906 147 G HN 0.573 nan 8.290 nan 0.000 0.460 148 F N 3.098 123.128 119.950 0.134 0.000 2.366 148 F HA 0.306 4.869 4.527 0.060 0.000 0.366 148 F C 0.221 176.147 175.800 0.210 0.000 1.096 148 F CA -0.887 57.224 58.000 0.186 0.000 1.060 148 F CB 1.198 40.316 39.000 0.198 0.000 1.282 148 F HN 0.299 nan 8.300 nan 0.000 0.450 149 T N 6.710 121.496 114.554 0.387 0.000 2.738 149 T HA 0.111 4.498 4.350 0.062 0.000 0.293 149 T C -0.874 173.881 174.700 0.092 0.000 0.913 149 T CA 0.367 62.564 62.100 0.161 0.000 1.103 149 T CB 0.016 68.948 68.868 0.107 0.000 0.880 149 T HN 0.476 nan 8.240 nan 0.000 0.526 150 F N 2.975 122.749 119.950 -0.292 0.000 2.610 150 F HA 0.360 4.923 4.527 0.059 0.000 0.355 150 F C 0.028 175.724 175.800 -0.174 0.000 1.140 150 F CA -0.705 57.069 58.000 -0.378 0.000 1.037 150 F CB 1.151 39.617 39.000 -0.890 0.000 1.287 150 F HN 0.374 nan 8.300 nan 0.000 0.457 151 S N 6.880 122.160 115.700 -0.700 0.000 3.812 151 S HA 0.430 4.937 4.470 0.062 0.000 0.195 151 S C -0.941 172.877 174.600 -1.303 0.000 1.460 151 S CA -0.132 57.593 58.200 -0.792 0.000 1.052 151 S CB -0.735 62.061 63.200 -0.673 0.000 1.385 151 S HN 0.474 nan 8.310 nan 0.000 0.490 152 F N 1.107 120.761 119.950 -0.492 0.000 2.645 152 F HA 0.428 4.992 4.527 0.061 0.000 0.310 152 F C -2.571 173.153 175.800 -0.127 0.000 1.102 152 F CA -2.512 55.283 58.000 -0.341 0.000 0.952 152 F CB 1.351 40.031 39.000 -0.533 0.000 1.326 152 F HN -0.055 nan 8.300 nan 0.000 0.456 153 P HA 0.126 nan 4.420 nan 0.000 0.265 153 P C -0.915 176.454 177.300 0.115 0.000 1.222 153 P CA 0.266 63.434 63.100 0.112 0.000 0.767 153 P CB 0.980 32.744 31.700 0.106 0.000 0.801 154 V N 5.421 125.408 119.914 0.123 0.000 2.588 154 V HA 0.367 4.524 4.120 0.062 0.000 0.304 154 V C 0.483 176.609 176.094 0.053 0.000 1.042 154 V CA -0.776 61.553 62.300 0.048 0.000 0.877 154 V CB 2.418 34.234 31.823 -0.011 0.000 0.996 154 V HN 0.439 nan 8.190 nan 0.000 0.425 155 R N 3.730 124.230 120.500 0.001 0.000 2.198 155 R HA 0.330 4.707 4.340 0.062 0.000 0.339 155 R C -0.474 175.824 176.300 -0.004 0.000 1.020 155 R CA -0.320 55.818 56.100 0.063 0.000 0.864 155 R CB 0.166 30.508 30.300 0.070 0.000 1.105 155 R HN 0.755 nan 8.270 nan 0.000 0.463 156 H N 2.873 122.011 119.070 0.113 0.000 2.525 156 H HA 0.084 4.677 4.556 0.061 0.000 0.339 156 H C 0.361 175.745 175.328 0.093 0.000 1.109 156 H CA -0.020 56.097 56.048 0.116 0.000 1.352 156 H CB 1.782 31.692 29.762 0.248 0.000 1.461 156 H HN 0.584 nan 8.280 nan 0.000 0.533 157 E N 0.608 120.809 120.200 0.001 0.000 2.307 157 E HA -0.004 4.383 4.350 0.062 0.000 0.195 157 E C -0.010 176.231 176.600 -0.598 0.000 0.975 157 E CA 0.317 56.620 56.400 -0.161 0.000 0.878 157 E CB 0.858 30.488 29.700 -0.116 0.000 0.845 157 E HN 0.521 nan 8.360 nan 0.000 0.488 158 D N -1.578 118.526 120.400 -0.493 0.000 2.838 158 D HA 0.050 4.727 4.640 0.062 0.000 0.334 158 D C 0.137 176.359 176.300 -0.131 0.000 1.315 158 D CA -0.612 52.998 54.000 -0.651 0.000 0.917 158 D CB 0.901 41.485 40.800 -0.359 0.000 1.435 158 D HN -0.123 nan 8.370 nan 0.000 0.517 159 I N 1.087 121.620 120.570 -0.062 0.000 2.454 159 I HA -0.137 4.070 4.170 0.062 0.000 0.254 159 I C 0.906 177.091 176.117 0.114 0.000 1.156 159 I CA 1.776 63.111 61.300 0.060 0.000 1.433 159 I CB -0.256 37.760 38.000 0.027 0.000 1.082 159 I HN 0.356 nan 8.210 nan 0.000 0.432 160 D N -1.031 119.402 120.400 0.056 0.000 2.431 160 D HA 0.132 4.809 4.640 0.062 0.000 0.213 160 D C 0.529 176.839 176.300 0.016 0.000 1.130 160 D CA -0.110 53.920 54.000 0.050 0.000 0.834 160 D CB -0.098 40.716 40.800 0.022 0.000 0.985 160 D HN 0.192 nan 8.370 nan 0.000 0.504 161 K N -0.185 120.215 120.400 -0.001 0.000 2.553 161 K HA 0.598 4.955 4.320 0.062 0.000 0.250 161 K C -1.295 175.228 176.600 -0.129 0.000 0.953 161 K CA -0.642 55.605 56.287 -0.068 0.000 0.800 161 K CB 1.776 34.229 32.500 -0.078 0.000 1.243 161 K HN 0.117 nan 8.250 nan 0.000 0.435 162 G N 3.131 111.802 108.800 -0.215 0.000 2.616 162 G HA2 0.430 4.427 3.960 0.062 0.000 0.294 162 G HA3 0.430 4.427 3.960 0.062 0.000 0.294 162 G C -1.400 173.359 174.900 -0.235 0.000 1.489 162 G CA -0.964 43.952 45.100 -0.308 0.000 0.836 162 G HN 0.660 nan 8.290 nan 0.000 0.527 163 I N -0.754 119.714 120.570 -0.170 0.000 2.498 163 I HA 0.808 5.015 4.170 0.062 0.000 0.301 163 I C -0.262 175.790 176.117 -0.108 0.000 0.984 163 I CA -1.211 60.010 61.300 -0.132 0.000 1.204 163 I CB 1.803 39.749 38.000 -0.090 0.000 1.362 163 I HN 0.418 nan 8.210 nan 0.000 0.471 164 L N 5.897 127.046 121.223 -0.123 0.000 2.418 164 L HA 0.266 4.643 4.340 0.062 0.000 0.274 164 L C 0.334 177.134 176.870 -0.117 0.000 1.135 164 L CA 0.369 55.138 54.840 -0.118 0.000 0.870 164 L CB 0.664 42.555 42.059 -0.280 0.000 1.154 164 L HN 0.813 nan 8.230 nan 0.000 0.462 165 L N 4.450 125.639 121.223 -0.057 0.000 2.049 165 L HA 0.101 4.478 4.340 0.062 0.000 0.203 165 L C 0.515 177.356 176.870 -0.048 0.000 1.074 165 L CA 0.690 55.514 54.840 -0.026 0.000 0.749 165 L CB -0.245 41.830 42.059 0.027 0.000 0.907 165 L HN 0.883 nan 8.230 nan 0.000 0.439 166 N N -2.790 115.879 118.700 -0.052 0.000 2.745 166 N HA 0.078 4.855 4.740 0.062 0.000 0.256 166 N C -1.780 173.723 175.510 -0.012 0.000 1.268 166 N CA -0.753 52.269 53.050 -0.046 0.000 0.887 166 N CB 0.723 39.244 38.487 0.058 0.000 1.575 166 N HN -0.068 nan 8.380 nan 0.000 0.496 167 W N 1.288 122.627 121.300 0.066 0.000 2.137 167 W HA 0.287 4.983 4.660 0.060 0.000 0.344 167 W C 1.000 177.619 176.519 0.167 0.000 1.286 167 W CA 0.198 57.561 57.345 0.030 0.000 1.240 167 W CB 0.967 30.448 29.460 0.034 0.000 1.141 167 W HN 0.583 nan 8.180 nan 0.000 0.579 168 T N -1.956 112.965 114.554 0.613 0.000 2.812 168 T HA 0.425 4.812 4.350 0.062 0.000 0.294 168 T C -0.403 174.605 174.700 0.512 0.000 1.159 168 T CA -1.200 61.184 62.100 0.473 0.000 1.008 168 T CB 1.664 70.754 68.868 0.369 0.000 1.289 168 T HN 0.524 nan 8.240 nan 0.000 0.514 169 K N 0.219 120.862 120.400 0.405 0.000 3.071 169 K HA -0.174 4.183 4.320 0.062 0.000 0.265 169 K C 1.064 177.877 176.600 0.355 0.000 1.060 169 K CA 0.839 57.335 56.287 0.349 0.000 0.767 169 K CB -1.911 30.745 32.500 0.259 0.000 1.241 169 K HN 1.678 nan 8.250 nan 0.000 0.486 170 G N -0.763 108.218 108.800 0.303 0.000 2.199 170 G HA2 -0.341 3.656 3.960 0.062 0.000 0.254 170 G HA3 -0.341 3.656 3.960 0.062 0.000 0.254 170 G C 0.112 175.057 174.900 0.074 0.000 0.982 170 G CA 0.205 45.405 45.100 0.167 0.000 0.632 170 G HN 0.244 nan 8.290 nan 0.000 0.529 171 F N 1.187 121.080 119.950 -0.096 0.000 2.529 171 F HA 0.512 5.076 4.527 0.061 0.000 0.365 171 F C 1.527 177.023 175.800 -0.506 0.000 1.102 171 F CA 0.497 58.205 58.000 -0.486 0.000 1.271 171 F CB 1.022 39.500 39.000 -0.871 0.000 1.120 171 F HN -0.041 nan 8.300 nan 0.000 0.579 172 K N 2.521 122.600 120.400 -0.535 0.000 2.932 172 K HA 0.328 4.685 4.320 0.062 0.000 0.194 172 K C -0.555 175.951 176.600 -0.157 0.000 1.132 172 K CA -0.285 55.874 56.287 -0.213 0.000 1.071 172 K CB 0.906 33.373 32.500 -0.056 0.000 0.727 172 K HN 0.562 nan 8.250 nan 0.000 0.441 173 A N 1.790 124.413 122.820 -0.328 0.000 2.454 173 A HA 0.269 4.626 4.320 0.062 0.000 0.260 173 A C 0.629 178.425 177.584 0.354 0.000 1.106 173 A CA -0.056 51.997 52.037 0.027 0.000 0.780 173 A CB 0.182 19.198 19.000 0.027 0.000 1.044 173 A HN 0.333 nan 8.150 nan 0.000 0.498 174 S N 2.122 117.950 115.700 0.213 0.000 2.592 174 S HA 0.544 5.051 4.470 0.062 0.000 0.271 174 S C 1.059 175.782 174.600 0.205 0.000 1.326 174 S CA 0.205 58.527 58.200 0.203 0.000 1.024 174 S CB 1.030 64.300 63.200 0.117 0.000 0.921 174 S HN 2.512 nan 8.310 nan 0.000 0.527 175 G N 0.749 109.645 108.800 0.160 0.000 2.143 175 G HA2 -0.093 3.904 3.960 0.062 0.000 0.249 175 G HA3 -0.093 3.904 3.960 0.062 0.000 0.249 175 G C 0.605 175.576 174.900 0.118 0.000 0.981 175 G CA 0.230 45.399 45.100 0.115 0.000 0.665 175 G HN 1.497 nan 8.290 nan 0.000 0.528 176 A N -0.473 122.443 122.820 0.159 0.000 2.013 176 A HA 0.557 4.914 4.320 0.062 0.000 0.204 176 A C 0.918 178.439 177.584 -0.105 0.000 1.262 176 A CA 0.950 53.038 52.037 0.086 0.000 0.800 176 A CB 0.144 19.331 19.000 0.311 0.000 0.909 176 A HN 0.519 nan 8.150 nan 0.000 0.472 177 E N -0.216 119.903 120.200 -0.134 0.000 2.415 177 E HA 0.349 4.736 4.350 0.062 0.000 0.263 177 E C 0.969 177.517 176.600 -0.087 0.000 0.995 177 E CA 0.599 56.899 56.400 -0.167 0.000 0.915 177 E CB 0.145 29.776 29.700 -0.115 0.000 0.951 177 E HN 0.713 nan 8.360 nan 0.000 0.449 178 G N 2.998 111.744 108.800 -0.090 0.000 2.162 178 G HA2 -0.253 3.744 3.960 0.062 0.000 0.260 178 G HA3 -0.253 3.744 3.960 0.062 0.000 0.260 178 G C 0.013 174.873 174.900 -0.067 0.000 0.976 178 G CA -0.086 44.978 45.100 -0.060 0.000 0.655 178 G HN 0.505 nan 8.290 nan 0.000 0.533 179 N N -0.047 118.598 118.700 -0.091 0.000 2.404 179 N HA 0.407 5.184 4.740 0.062 0.000 0.297 179 N C -0.455 174.973 175.510 -0.137 0.000 1.163 179 N CA -0.827 52.162 53.050 -0.101 0.000 0.864 179 N CB 0.988 39.417 38.487 -0.097 0.000 1.247 179 N HN 0.177 nan 8.380 nan 0.000 0.510 180 N N 0.560 119.177 118.700 -0.138 0.000 2.431 180 N HA 0.021 4.798 4.740 0.062 0.000 0.265 180 N C 0.843 176.224 175.510 -0.216 0.000 1.184 180 N CA 0.092 53.045 53.050 -0.160 0.000 0.943 180 N CB 0.525 38.935 38.487 -0.129 0.000 1.080 180 N HN 0.242 nan 8.380 nan 0.000 0.477 181 V N 3.969 123.728 119.914 -0.258 0.000 2.427 181 V HA -0.183 3.974 4.120 0.062 0.000 0.248 181 V C 2.123 178.065 176.094 -0.254 0.000 1.051 181 V CA 1.217 63.306 62.300 -0.351 0.000 1.048 181 V CB -0.301 31.177 31.823 -0.575 0.000 0.666 181 V HN 0.587 nan 8.190 nan 0.000 0.456 182 V N 0.989 120.821 119.914 -0.138 0.000 2.407 182 V HA -0.176 3.981 4.120 0.062 0.000 0.248 182 V C 2.599 178.623 176.094 -0.116 0.000 1.055 182 V CA 2.122 64.395 62.300 -0.045 0.000 1.049 182 V CB -1.269 30.550 31.823 -0.007 0.000 0.662 182 V HN 0.614 nan 8.190 nan 0.000 0.455 183 G N -0.271 108.436 108.800 -0.156 0.000 2.418 183 G HA2 -0.199 3.798 3.960 0.062 0.000 0.217 183 G HA3 -0.199 3.798 3.960 0.062 0.000 0.217 183 G C 1.576 176.338 174.900 -0.231 0.000 1.158 183 G CA 0.854 45.859 45.100 -0.159 0.000 0.771 183 G HN 0.472 nan 8.290 nan 0.000 0.545 184 L N -0.372 120.626 121.223 -0.375 0.000 2.046 184 L HA -0.022 4.355 4.340 0.062 0.000 0.208 184 L C 2.669 179.168 176.870 -0.619 0.000 1.077 184 L CA 0.508 54.990 54.840 -0.597 0.000 0.747 184 L CB -0.402 41.033 42.059 -1.040 0.000 0.896 184 L HN 0.235 nan 8.230 nan 0.000 0.432 185 L N -0.115 120.797 121.223 -0.518 0.000 2.027 185 L HA -0.155 4.222 4.340 0.062 0.000 0.206 185 L C 2.709 179.519 176.870 -0.100 0.000 1.074 185 L CA 1.649 56.377 54.840 -0.186 0.000 0.745 185 L CB -0.519 41.496 42.059 -0.073 0.000 0.898 185 L HN 0.055 nan 8.230 nan 0.000 0.433 186 R N -0.262 120.174 120.500 -0.107 0.000 2.091 186 R HA -0.182 4.195 4.340 0.062 0.000 0.238 186 R C 1.941 178.182 176.300 -0.097 0.000 1.136 186 R CA 1.682 57.734 56.100 -0.081 0.000 0.959 186 R CB -0.590 29.667 30.300 -0.072 0.000 0.856 186 R HN 0.456 nan 8.270 nan 0.000 0.437 187 D N 0.291 120.621 120.400 -0.117 0.000 2.123 187 D HA -0.148 4.529 4.640 0.062 0.000 0.196 187 D C 1.768 178.019 176.300 -0.081 0.000 0.992 187 D CA 1.657 55.597 54.000 -0.099 0.000 0.833 187 D CB -0.266 40.470 40.800 -0.107 0.000 0.954 187 D HN 0.280 nan 8.370 nan 0.000 0.455 188 A N 0.399 123.180 122.820 -0.064 0.000 1.929 188 A HA -0.073 4.284 4.320 0.062 0.000 0.216 188 A C 2.375 179.920 177.584 -0.065 0.000 1.176 188 A CA 0.638 52.665 52.037 -0.016 0.000 0.628 188 A CB -0.599 18.452 19.000 0.085 0.000 0.816 188 A HN 0.175 nan 8.150 nan 0.000 0.444 189 I N -0.716 119.791 120.570 -0.105 0.000 2.179 189 I HA -0.280 3.927 4.170 0.062 0.000 0.242 189 I C 2.484 178.417 176.117 -0.307 0.000 1.088 189 I CA 1.730 62.865 61.300 -0.275 0.000 1.357 189 I CB -0.231 37.618 38.000 -0.252 0.000 1.051 189 I HN 0.198 nan 8.210 nan 0.000 0.409 190 K N 0.524 120.809 120.400 -0.191 0.000 2.103 190 K HA -0.155 4.202 4.320 0.062 0.000 0.207 190 K C 2.210 178.736 176.600 -0.124 0.000 1.048 190 K CA 1.328 57.524 56.287 -0.151 0.000 0.930 190 K CB -0.146 32.292 32.500 -0.104 0.000 0.716 190 K HN 0.150 nan 8.250 nan 0.000 0.444 191 R N -0.224 120.215 120.500 -0.100 0.000 2.081 191 R HA -0.103 4.274 4.340 0.062 0.000 0.235 191 R C 2.416 178.670 176.300 -0.077 0.000 1.131 191 R CA 1.569 57.627 56.100 -0.070 0.000 0.960 191 R CB -0.110 30.164 30.300 -0.043 0.000 0.856 191 R HN 0.129 nan 8.270 nan 0.000 0.436 192 R N -0.321 120.113 120.500 -0.109 0.000 2.057 192 R HA -0.062 4.315 4.340 0.062 0.000 0.229 192 R C 0.829 177.052 176.300 -0.128 0.000 1.136 192 R CA 1.338 57.376 56.100 -0.105 0.000 0.952 192 R CB -0.115 30.113 30.300 -0.120 0.000 0.848 192 R HN 0.378 nan 8.270 nan 0.000 0.430 193 G N 1.651 110.323 108.800 -0.213 0.000 2.273 193 G HA2 -0.240 3.757 3.960 0.062 0.000 0.280 193 G HA3 -0.240 3.757 3.960 0.062 0.000 0.280 193 G C 0.026 174.841 174.900 -0.141 0.000 1.047 193 G CA 0.764 45.752 45.100 -0.187 0.000 0.869 193 G HN 0.699 nan 8.290 nan 0.000 0.502 194 D N -1.156 119.148 120.400 -0.160 0.000 2.469 194 D HA 0.321 4.998 4.640 0.062 0.000 0.213 194 D C 0.564 176.926 176.300 0.103 0.000 1.135 194 D CA 0.332 54.323 54.000 -0.014 0.000 0.834 194 D CB -0.034 40.795 40.800 0.048 0.000 1.009 194 D HN 0.749 nan 8.370 nan 0.000 0.507 195 F N -0.484 119.468 119.950 0.003 0.000 2.692 195 F HA 0.785 5.354 4.527 0.070 0.000 0.320 195 F C -1.260 174.542 175.800 0.002 0.000 1.123 195 F CA -1.204 56.801 58.000 0.007 0.000 0.961 195 F CB 1.314 40.325 39.000 0.019 0.000 1.383 195 F HN -0.317 nan 8.300 nan 0.000 0.483 196 E N 1.759 122.122 120.200 0.273 0.000 2.292 196 E HA 0.553 4.940 4.350 0.062 0.000 0.272 196 E C -1.470 175.267 176.600 0.228 0.000 0.881 196 E CA -1.111 55.371 56.400 0.136 0.000 0.754 196 E CB 2.429 32.159 29.700 0.049 0.000 1.201 196 E HN 0.465 nan 8.360 nan 0.000 0.425 197 M N 1.643 121.353 119.600 0.184 0.000 2.446 197 M HA 0.269 4.786 4.480 0.062 0.000 0.294 197 M C -1.114 175.237 176.300 0.084 0.000 1.158 197 M CA -0.712 54.682 55.300 0.156 0.000 0.899 197 M CB 2.006 34.739 32.600 0.221 0.000 1.687 197 M HN 0.437 nan 8.290 nan 0.000 0.455 198 D N 2.940 123.375 120.400 0.058 0.000 2.453 198 D HA 0.247 4.924 4.640 0.062 0.000 0.223 198 D C -0.662 175.676 176.300 0.062 0.000 1.183 198 D CA -0.061 53.965 54.000 0.043 0.000 0.933 198 D CB 0.823 41.637 40.800 0.023 0.000 1.038 198 D HN 0.282 nan 8.370 nan 0.000 0.513 199 V N 4.763 124.715 119.914 0.064 0.000 2.390 199 V HA -0.016 4.141 4.120 0.062 0.000 0.260 199 V C 1.475 177.619 176.094 0.083 0.000 1.043 199 V CA -0.130 62.219 62.300 0.083 0.000 1.047 199 V CB 1.100 32.968 31.823 0.075 0.000 1.066 199 V HN 0.366 nan 8.190 nan 0.000 0.481 200 V N 3.998 123.975 119.914 0.106 0.000 3.263 200 V HA 0.475 4.632 4.120 0.062 0.000 0.248 200 V C 0.859 177.010 176.094 0.096 0.000 1.145 200 V CA 1.233 63.590 62.300 0.095 0.000 1.107 200 V CB 0.760 32.653 31.823 0.118 0.000 0.797 200 V HN 0.895 nan 8.190 nan 0.000 0.467 201 A N 0.217 123.113 122.820 0.126 0.000 2.547 201 A HA 0.789 5.146 4.320 0.062 0.000 0.297 201 A C -1.057 176.635 177.584 0.180 0.000 1.056 201 A CA -0.402 51.709 52.037 0.124 0.000 0.688 201 A CB 1.711 20.764 19.000 0.088 0.000 1.282 201 A HN 0.170 nan 8.150 nan 0.000 0.400 202 M N 2.922 122.633 119.600 0.186 0.000 2.321 202 M HA 0.716 5.233 4.480 0.062 0.000 0.315 202 M C -1.497 174.921 176.300 0.196 0.000 1.052 202 M CA -0.703 54.720 55.300 0.206 0.000 0.936 202 M CB 1.709 34.413 32.600 0.172 0.000 1.639 202 M HN 1.093 nan 8.290 nan 0.000 0.433 203 V N 1.634 121.627 119.914 0.132 0.000 3.007 203 V HA 0.571 4.728 4.120 0.062 0.000 0.311 203 V C -0.708 175.419 176.094 0.056 0.000 1.120 203 V CA -0.978 61.367 62.300 0.075 0.000 0.980 203 V CB 1.705 33.541 31.823 0.022 0.000 1.033 203 V HN 1.001 nan 8.190 nan 0.000 0.429 204 N N 1.749 120.463 118.700 0.025 0.000 2.444 204 N HA 0.030 4.807 4.740 0.062 0.000 0.255 204 N C 0.575 176.046 175.510 -0.065 0.000 1.255 204 N CA 0.354 53.383 53.050 -0.034 0.000 0.933 204 N CB 1.563 40.023 38.487 -0.045 0.000 1.143 204 N HN 1.004 nan 8.380 nan 0.000 0.453 205 D N 0.592 120.927 120.400 -0.108 0.000 2.178 205 D HA -0.193 4.484 4.640 0.062 0.000 0.201 205 D C 1.686 177.932 176.300 -0.090 0.000 0.980 205 D CA 1.912 55.854 54.000 -0.096 0.000 0.842 205 D CB -0.917 39.809 40.800 -0.124 0.000 0.948 205 D HN 0.702 nan 8.370 nan 0.000 0.472 206 T N -1.033 113.455 114.554 -0.110 0.000 2.746 206 T HA -0.133 4.254 4.350 0.062 0.000 0.267 206 T C 2.207 176.855 174.700 -0.087 0.000 1.039 206 T CA 1.515 63.548 62.100 -0.112 0.000 1.142 206 T CB -0.943 67.833 68.868 -0.154 0.000 0.866 206 T HN 0.087 nan 8.240 nan 0.000 0.444 207 V N 2.480 122.344 119.914 -0.085 0.000 2.307 207 V HA -0.044 4.113 4.120 0.062 0.000 0.245 207 V C 3.318 179.376 176.094 -0.060 0.000 1.045 207 V CA 1.561 63.813 62.300 -0.080 0.000 1.024 207 V CB -1.577 30.194 31.823 -0.086 0.000 0.651 207 V HN 0.691 nan 8.190 nan 0.000 0.449 208 A N 0.093 122.884 122.820 -0.047 0.000 1.892 208 A HA -0.284 4.073 4.320 0.062 0.000 0.218 208 A C 2.410 179.980 177.584 -0.023 0.000 1.188 208 A CA 2.832 54.851 52.037 -0.031 0.000 0.631 208 A CB -1.208 17.780 19.000 -0.019 0.000 0.822 208 A HN 0.510 nan 8.150 nan 0.000 0.447 209 T N -0.329 114.207 114.554 -0.029 0.000 2.684 209 T HA -0.214 4.173 4.350 0.062 0.000 0.267 209 T C 1.937 176.638 174.700 0.002 0.000 1.036 209 T CA 1.728 63.818 62.100 -0.017 0.000 1.148 209 T CB -0.318 68.528 68.868 -0.037 0.000 0.863 209 T HN 0.522 nan 8.240 nan 0.000 0.436 210 M N 0.605 120.199 119.600 -0.010 0.000 2.067 210 M HA -0.102 4.415 4.480 0.062 0.000 0.260 210 M C 1.918 178.241 176.300 0.040 0.000 1.069 210 M CA 1.743 57.050 55.300 0.011 0.000 1.117 210 M CB -0.235 32.356 32.600 -0.016 0.000 1.334 210 M HN 0.111 nan 8.290 nan 0.000 0.407 211 I N 0.656 121.227 120.570 0.002 0.000 2.226 211 I HA -0.233 3.974 4.170 0.062 0.000 0.245 211 I C 2.755 178.915 176.117 0.071 0.000 1.100 211 I CA 1.878 63.178 61.300 -0.001 0.000 1.374 211 I CB -1.710 36.255 38.000 -0.059 0.000 1.057 211 I HN 0.491 nan 8.210 nan 0.000 0.413 212 S N -0.021 115.712 115.700 0.055 0.000 2.419 212 S HA -0.155 4.352 4.470 0.062 0.000 0.233 212 S C 1.958 176.637 174.600 0.132 0.000 1.016 212 S CA 1.019 59.266 58.200 0.079 0.000 0.974 212 S CB -0.874 62.354 63.200 0.047 0.000 0.786 212 S HN 0.471 nan 8.310 nan 0.000 0.492 213 C N 0.409 119.790 119.300 0.134 0.000 2.626 213 C HA 0.344 4.841 4.460 0.062 0.000 0.266 213 C C 1.928 177.038 174.990 0.199 0.000 1.317 213 C CA -0.359 58.746 59.018 0.145 0.000 1.716 213 C CB -2.182 25.620 27.740 0.104 0.000 1.819 213 C HN 0.730 nan 8.230 nan 0.000 0.578 214 Y N -0.109 120.261 120.300 0.117 0.000 2.286 214 Y HA -0.115 4.470 4.550 0.059 0.000 0.293 214 Y C 2.350 178.422 175.900 0.286 0.000 1.124 214 Y CA 1.508 59.693 58.100 0.143 0.000 1.178 214 Y CB -0.580 37.906 38.460 0.042 0.000 1.010 214 Y HN 0.395 nan 8.280 nan 0.000 0.536 215 Y N 1.080 121.520 120.300 0.233 0.000 2.165 215 Y HA -0.266 4.330 4.550 0.076 0.000 0.286 215 Y C 2.288 178.241 175.900 0.087 0.000 1.155 215 Y CA 2.406 60.632 58.100 0.210 0.000 1.164 215 Y CB -0.270 38.309 38.460 0.199 0.000 0.978 215 Y HN 0.274 nan 8.280 nan 0.000 0.513 216 E N -0.950 119.307 120.200 0.095 0.000 2.385 216 E HA -0.047 4.340 4.350 0.062 0.000 0.194 216 E C -0.465 176.058 176.600 -0.130 0.000 1.013 216 E CA 0.476 56.848 56.400 -0.046 0.000 0.866 216 E CB 0.406 30.153 29.700 0.079 0.000 0.832 216 E HN 0.228 nan 8.360 nan 0.000 0.500 217 D N -0.967 119.376 120.400 -0.094 0.000 2.365 217 D HA 0.054 4.731 4.640 0.062 0.000 0.235 217 D C -0.395 175.839 176.300 -0.111 0.000 1.368 217 D CA -0.376 53.550 54.000 -0.122 0.000 1.001 217 D CB 0.411 41.183 40.800 -0.046 0.000 1.364 217 D HN 0.017 nan 8.370 nan 0.000 0.577 218 H N 1.472 120.287 119.070 -0.425 0.000 2.559 218 H HA 0.048 4.640 4.556 0.060 0.000 0.273 218 H C 1.317 176.527 175.328 -0.196 0.000 1.000 218 H CA 0.735 56.402 56.048 -0.635 0.000 1.195 218 H CB 0.444 29.870 29.762 -0.559 0.000 1.368 218 H HN 0.420 nan 8.280 nan 0.000 0.592 219 Q N -0.587 119.212 119.800 -0.000 0.000 2.435 219 Q HA -0.012 4.365 4.340 0.062 0.000 0.207 219 Q C 0.719 176.748 176.000 0.049 0.000 0.956 219 Q CA 0.082 55.899 55.803 0.023 0.000 0.917 219 Q CB -0.333 28.396 28.738 -0.016 0.000 0.997 219 Q HN 0.286 nan 8.270 nan 0.000 0.497 220 C N 2.659 122.005 119.300 0.077 0.000 2.595 220 C HA 0.077 4.574 4.460 0.062 0.000 0.374 220 C C 0.894 175.963 174.990 0.132 0.000 1.250 220 C CA 0.037 59.112 59.018 0.096 0.000 1.595 220 C CB -0.973 26.835 27.740 0.113 0.000 2.257 220 C HN 0.351 nan 8.230 nan 0.000 0.568 221 E N 3.140 123.388 120.200 0.080 0.000 2.693 221 E HA 0.226 4.613 4.350 0.062 0.000 0.214 221 E C -0.648 175.990 176.600 0.063 0.000 0.990 221 E CA 0.008 56.448 56.400 0.066 0.000 1.047 221 E CB 1.047 30.787 29.700 0.066 0.000 1.039 221 E HN 0.551 nan 8.360 nan 0.000 0.475 222 V N 0.450 120.396 119.914 0.054 0.000 2.709 222 V HA 0.628 4.785 4.120 0.062 0.000 0.308 222 V C 0.090 176.199 176.094 0.025 0.000 1.062 222 V CA -0.985 61.349 62.300 0.057 0.000 0.901 222 V CB 1.985 33.846 31.823 0.064 0.000 1.003 222 V HN 0.179 nan 8.190 nan 0.000 0.425 223 G N 3.478 112.273 108.800 -0.007 0.000 2.513 223 G HA2 0.756 4.753 3.960 0.062 0.000 0.317 223 G HA3 0.756 4.753 3.960 0.062 0.000 0.317 223 G C -1.176 173.675 174.900 -0.082 0.000 1.277 223 G CA -0.569 44.509 45.100 -0.037 0.000 0.955 223 G HN 0.613 nan 8.290 nan 0.000 0.484 224 M N 2.507 122.061 119.600 -0.077 0.000 2.386 224 M HA 0.557 5.074 4.480 0.062 0.000 0.293 224 M C -1.744 174.486 176.300 -0.117 0.000 1.120 224 M CA -0.882 54.357 55.300 -0.103 0.000 0.909 224 M CB 2.086 34.690 32.600 0.005 0.000 1.661 224 M HN 0.230 nan 8.290 nan 0.000 0.452 225 I N 5.190 125.697 120.570 -0.104 0.000 2.406 225 I HA 0.413 4.620 4.170 0.062 0.000 0.290 225 I C -0.746 175.347 176.117 -0.041 0.000 0.999 225 I CA -0.665 60.581 61.300 -0.089 0.000 1.124 225 I CB 1.746 39.688 38.000 -0.096 0.000 1.289 225 I HN 0.440 nan 8.210 nan 0.000 0.441 226 V N 5.956 125.826 119.914 -0.074 0.000 2.315 226 V HA 0.625 4.782 4.120 0.062 0.000 0.265 226 V C 0.529 176.550 176.094 -0.121 0.000 1.019 226 V CA -0.287 61.960 62.300 -0.089 0.000 0.824 226 V CB 0.706 32.433 31.823 -0.159 0.000 1.072 226 V HN 0.964 nan 8.190 nan 0.000 0.448 227 G N 1.771 110.519 108.800 -0.086 0.000 3.392 227 G HA2 0.299 4.296 3.960 0.062 0.000 0.185 227 G HA3 0.299 4.296 3.960 0.062 0.000 0.185 227 G C 0.923 175.775 174.900 -0.080 0.000 1.206 227 G CA 0.691 45.740 45.100 -0.085 0.000 0.776 227 G HN 0.300 nan 8.290 nan 0.000 0.697 228 T N 0.592 115.102 114.554 -0.073 0.000 2.665 228 T HA 0.088 4.475 4.350 0.062 0.000 0.268 228 T C 1.295 175.972 174.700 -0.038 0.000 1.035 228 T CA 1.570 63.620 62.100 -0.083 0.000 1.151 228 T CB -0.495 68.331 68.868 -0.069 0.000 0.862 228 T HN 0.651 nan 8.240 nan 0.000 0.438 229 G N -1.301 107.495 108.800 -0.007 0.000 2.820 229 G HA2 0.510 4.507 3.960 0.062 0.000 0.291 229 G HA3 0.510 4.507 3.960 0.062 0.000 0.291 229 G C -1.385 173.559 174.900 0.074 0.000 1.323 229 G CA -0.522 44.618 45.100 0.068 0.000 1.055 229 G HN 0.434 nan 8.290 nan 0.000 0.520 230 C N 0.624 120.017 119.300 0.155 0.000 2.642 230 C HA 0.811 5.308 4.460 0.062 0.000 0.344 230 C C -0.771 174.425 174.990 0.345 0.000 1.110 230 C CA -0.742 58.425 59.018 0.248 0.000 1.298 230 C CB 0.452 28.373 27.740 0.302 0.000 1.827 230 C HN 0.953 nan 8.230 nan 0.000 0.467 231 N N 2.740 121.506 118.700 0.110 0.000 3.046 231 N HA 0.842 5.619 4.740 0.062 0.000 0.243 231 N C -1.489 173.572 175.510 -0.748 0.000 1.452 231 N CA 0.286 53.113 53.050 -0.371 0.000 0.882 231 N CB 2.101 40.474 38.487 -0.190 0.000 1.425 231 N HN 1.170 nan 8.380 nan 0.000 0.517 232 A N -0.074 122.094 122.820 -1.087 0.000 2.572 232 A HA 0.715 5.072 4.320 0.062 0.000 0.295 232 A C -0.782 176.547 177.584 -0.426 0.000 1.072 232 A CA -0.495 51.049 52.037 -0.822 0.000 0.691 232 A CB 0.061 18.242 19.000 -1.364 0.000 1.291 232 A HN 1.209 nan 8.150 nan 0.000 0.404 233 C N -0.210 118.966 119.300 -0.208 0.000 2.779 233 C HA 1.057 5.554 4.460 0.062 0.000 0.314 233 C C -0.841 174.190 174.990 0.068 0.000 1.231 233 C CA -0.964 58.013 59.018 -0.069 0.000 1.652 233 C CB 0.516 28.187 27.740 -0.115 0.000 2.198 233 C HN 1.694 nan 8.230 nan 0.000 0.483 234 Y N -0.274 119.964 120.300 -0.102 0.000 2.609 234 Y HA 0.717 5.304 4.550 0.062 0.000 0.336 234 Y C -0.782 175.077 175.900 -0.067 0.000 1.129 234 Y CA -1.540 56.519 58.100 -0.069 0.000 1.040 234 Y CB 1.012 39.444 38.460 -0.045 0.000 1.310 234 Y HN 0.575 nan 8.280 nan 0.000 0.460 235 M N 3.222 122.732 119.600 -0.151 0.000 2.341 235 M HA 0.202 4.719 4.480 0.062 0.000 0.336 235 M C -0.360 175.829 176.300 -0.185 0.000 1.489 235 M CA 0.133 55.311 55.300 -0.203 0.000 1.278 235 M CB -0.414 32.141 32.600 -0.074 0.000 1.657 235 M HN 0.796 nan 8.290 nan 0.000 0.455 236 E N 2.809 122.763 120.200 -0.410 0.000 2.319 236 E HA 0.210 4.597 4.350 0.062 0.000 0.268 236 E C -0.501 176.043 176.600 -0.093 0.000 1.050 236 E CA -0.265 56.022 56.400 -0.188 0.000 0.878 236 E CB 0.847 30.362 29.700 -0.309 0.000 1.066 236 E HN 0.326 nan 8.360 nan 0.000 0.406 237 E N 4.061 124.252 120.200 -0.016 0.000 2.376 237 E HA -0.026 4.361 4.350 0.062 0.000 0.266 237 E C 0.891 177.460 176.600 -0.052 0.000 1.009 237 E CA -0.044 56.340 56.400 -0.026 0.000 0.902 237 E CB 0.480 30.180 29.700 0.000 0.000 0.972 237 E HN 0.648 nan 8.360 nan 0.000 0.439 238 M N 2.184 121.745 119.600 -0.065 0.000 2.267 238 M HA -0.223 4.294 4.480 0.062 0.000 0.263 238 M C 1.881 178.148 176.300 -0.054 0.000 1.063 238 M CA 1.679 56.933 55.300 -0.076 0.000 1.090 238 M CB -0.686 31.871 32.600 -0.072 0.000 1.392 238 M HN 0.528 nan 8.290 nan 0.000 0.422 239 Q N -1.174 118.606 119.800 -0.034 0.000 2.364 239 Q HA -0.104 4.273 4.340 0.062 0.000 0.207 239 Q C 0.999 176.988 176.000 -0.017 0.000 0.970 239 Q CA 1.132 56.921 55.803 -0.022 0.000 0.888 239 Q CB -0.325 28.405 28.738 -0.013 0.000 0.951 239 Q HN 0.436 nan 8.270 nan 0.000 0.469 240 N N 0.452 119.143 118.700 -0.016 0.000 2.325 240 N HA 0.078 4.855 4.740 0.062 0.000 0.182 240 N C -0.443 175.057 175.510 -0.016 0.000 1.088 240 N CA 0.215 53.264 53.050 -0.002 0.000 0.879 240 N CB 0.992 39.493 38.487 0.023 0.000 0.983 240 N HN 0.038 nan 8.380 nan 0.000 0.471 241 V N 2.455 122.340 119.914 -0.048 0.000 2.276 241 V HA 0.114 4.271 4.120 0.062 0.000 0.249 241 V C 1.180 177.231 176.094 -0.072 0.000 1.160 241 V CA -0.116 62.137 62.300 -0.078 0.000 1.042 241 V CB 0.176 31.917 31.823 -0.136 0.000 1.224 241 V HN 0.114 nan 8.190 nan 0.000 0.496 242 E N 2.690 122.860 120.200 -0.050 0.000 2.338 242 E HA -0.080 4.307 4.350 0.062 0.000 0.197 242 E C 1.576 178.141 176.600 -0.058 0.000 1.007 242 E CA 0.580 56.955 56.400 -0.041 0.000 0.849 242 E CB 0.174 29.863 29.700 -0.019 0.000 0.774 242 E HN 0.543 nan 8.360 nan 0.000 0.506 243 L N 0.787 121.952 121.223 -0.095 0.000 2.492 243 L HA 0.063 4.440 4.340 0.062 0.000 0.223 243 L C 0.629 177.457 176.870 -0.070 0.000 1.132 243 L CA 0.676 55.451 54.840 -0.108 0.000 0.850 243 L CB 0.033 41.974 42.059 -0.197 0.000 0.966 243 L HN -0.099 nan 8.230 nan 0.000 0.454 244 V N -0.613 119.249 119.914 -0.085 0.000 2.628 244 V HA 0.285 4.442 4.120 0.062 0.000 0.306 244 V C 0.030 176.102 176.094 -0.036 0.000 1.045 244 V CA -1.175 61.088 62.300 -0.062 0.000 0.905 244 V CB 2.555 34.269 31.823 -0.183 0.000 0.997 244 V HN 0.004 nan 8.190 nan 0.000 0.436 245 E N 1.914 122.114 120.200 0.001 0.000 2.373 245 E HA 0.530 4.917 4.350 0.062 0.000 0.267 245 E C 0.254 176.847 176.600 -0.012 0.000 1.032 245 E CA 1.409 57.809 56.400 -0.001 0.000 0.889 245 E CB 0.942 30.651 29.700 0.014 0.000 0.984 245 E HN 1.250 nan 8.360 nan 0.000 0.425 246 G N 3.322 112.112 108.800 -0.016 0.000 2.674 246 G HA2 -0.106 3.891 3.960 0.062 0.000 0.686 246 G HA3 -0.106 3.891 3.960 0.062 0.000 0.686 246 G C -0.531 174.351 174.900 -0.029 0.000 1.195 246 G CA -0.339 44.749 45.100 -0.019 0.000 0.776 246 G HN 0.557 nan 8.290 nan 0.000 0.654 247 D N 0.301 120.686 120.400 -0.024 0.000 2.513 247 D HA 0.205 4.882 4.640 0.062 0.000 0.222 247 D C 0.461 176.745 176.300 -0.026 0.000 1.210 247 D CA 0.222 54.207 54.000 -0.025 0.000 0.825 247 D CB 1.121 41.911 40.800 -0.017 0.000 1.037 247 D HN 0.444 nan 8.370 nan 0.000 0.506 248 E N 0.289 120.473 120.200 -0.028 0.000 2.156 248 E HA 0.507 4.894 4.350 0.062 0.000 0.279 248 E C 0.763 177.343 176.600 -0.035 0.000 0.965 248 E CA -0.113 56.272 56.400 -0.026 0.000 0.789 248 E CB 1.271 30.959 29.700 -0.020 0.000 1.098 248 E HN 0.154 nan 8.360 nan 0.000 0.397 249 G N 3.266 112.047 108.800 -0.032 0.000 2.539 249 G HA2 -0.295 3.702 3.960 0.062 0.000 0.256 249 G HA3 -0.295 3.702 3.960 0.062 0.000 0.256 249 G C -0.480 174.388 174.900 -0.053 0.000 1.233 249 G CA -0.086 44.991 45.100 -0.038 0.000 0.936 249 G HN 0.547 nan 8.290 nan 0.000 0.571 250 R N -1.135 119.323 120.500 -0.070 0.000 2.795 250 R HA 0.816 5.193 4.340 0.062 0.000 0.275 250 R C -0.074 176.146 176.300 -0.133 0.000 0.981 250 R CA -0.566 55.477 56.100 -0.094 0.000 0.917 250 R CB 1.865 32.117 30.300 -0.080 0.000 1.202 250 R HN 0.750 nan 8.270 nan 0.000 0.469 251 M N 1.550 121.043 119.600 -0.178 0.000 2.386 251 M HA 0.358 4.875 4.480 0.062 0.000 0.293 251 M C -1.164 174.963 176.300 -0.288 0.000 1.120 251 M CA -0.730 54.434 55.300 -0.227 0.000 0.909 251 M CB 1.836 34.279 32.600 -0.262 0.000 1.661 251 M HN 0.765 nan 8.290 nan 0.000 0.452 252 C N 4.305 123.439 119.300 -0.277 0.000 2.648 252 C HA 0.458 4.955 4.460 0.062 0.000 0.419 252 C C -0.222 174.561 174.990 -0.345 0.000 1.352 252 C CA -0.084 58.748 59.018 -0.310 0.000 1.816 252 C CB -0.427 27.175 27.740 -0.230 0.000 2.598 252 C HN 0.593 nan 8.230 nan 0.000 0.598 253 V N 7.110 126.756 119.914 -0.447 0.000 2.417 253 V HA 0.305 4.462 4.120 0.062 0.000 0.291 253 V C 0.036 176.016 176.094 -0.190 0.000 1.024 253 V CA -0.462 61.639 62.300 -0.332 0.000 0.861 253 V CB 1.687 33.278 31.823 -0.387 0.000 0.985 253 V HN 0.867 nan 8.190 nan 0.000 0.436 254 N N 3.048 121.688 118.700 -0.100 0.000 2.415 254 N HA 0.097 4.874 4.740 0.062 0.000 0.246 254 N C 1.333 176.845 175.510 0.002 0.000 1.078 254 N CA 0.427 53.444 53.050 -0.055 0.000 0.942 254 N CB 1.540 40.013 38.487 -0.023 0.000 1.140 254 N HN 0.823 nan 8.380 nan 0.000 0.501 255 T N 0.170 114.725 114.554 0.000 0.000 2.788 255 T HA -0.102 4.285 4.350 0.062 0.000 0.268 255 T C 0.177 174.935 174.700 0.096 0.000 1.044 255 T CA 0.609 62.754 62.100 0.075 0.000 1.139 255 T CB -0.284 68.631 68.868 0.078 0.000 0.867 255 T HN 0.565 nan 8.240 nan 0.000 0.454 256 E N 0.752 120.978 120.200 0.044 0.000 2.252 256 E HA -0.158 4.229 4.350 0.062 0.000 0.218 256 E C 0.150 176.902 176.600 0.255 0.000 1.253 256 E CA 0.777 57.243 56.400 0.111 0.000 0.705 256 E CB -1.777 27.993 29.700 0.117 0.000 1.172 256 E HN 0.989 nan 8.360 nan 0.000 0.369 257 W N -0.743 120.626 121.300 0.115 0.000 2.825 257 W HA 0.251 4.949 4.660 0.063 0.000 0.243 257 W C 1.521 178.195 176.519 0.259 0.000 1.293 257 W CA 0.471 57.876 57.345 0.099 0.000 1.403 257 W CB -1.186 28.272 29.460 -0.003 0.000 1.134 257 W HN 0.131 nan 8.180 nan 0.000 0.666 258 G N 1.362 110.601 108.800 0.733 0.000 2.450 258 G HA2 -0.147 3.850 3.960 0.062 0.000 0.220 258 G HA3 -0.147 3.850 3.960 0.062 0.000 0.220 258 G C 1.670 176.808 174.900 0.397 0.000 1.130 258 G CA 1.582 47.018 45.100 0.561 0.000 0.760 258 G HN 0.469 nan 8.290 nan 0.000 0.557 259 A N -0.321 122.691 122.820 0.320 0.000 2.251 259 A HA 0.453 4.810 4.320 0.062 0.000 0.209 259 A C 0.674 178.393 177.584 0.225 0.000 1.187 259 A CA -0.640 51.531 52.037 0.223 0.000 0.823 259 A CB -0.340 18.763 19.000 0.172 0.000 0.846 259 A HN 0.263 nan 8.150 nan 0.000 0.486 260 F N 0.850 120.864 119.950 0.107 0.000 2.607 260 F HA 0.379 4.943 4.527 0.062 0.000 0.374 260 F C 1.390 177.228 175.800 0.064 0.000 1.104 260 F CA 1.122 59.126 58.000 0.007 0.000 1.296 260 F CB 0.343 39.209 39.000 -0.223 0.000 1.085 260 F HN 0.350 nan 8.300 nan 0.000 0.584 261 G N 4.010 112.435 108.800 -0.626 0.000 2.258 261 G HA2 -0.319 3.678 3.960 0.062 0.000 0.233 261 G HA3 -0.319 3.678 3.960 0.062 0.000 0.233 261 G C 0.895 175.692 174.900 -0.171 0.000 1.006 261 G CA 0.277 45.130 45.100 -0.412 0.000 0.620 261 G HN 0.586 nan 8.290 nan 0.000 0.511 262 D N 0.905 121.258 120.400 -0.079 0.000 2.264 262 D HA 0.122 4.799 4.640 0.062 0.000 0.208 262 D C 2.061 178.340 176.300 -0.036 0.000 0.966 262 D CA 1.437 55.421 54.000 -0.026 0.000 0.864 262 D CB -0.069 40.743 40.800 0.021 0.000 0.933 262 D HN 0.386 nan 8.370 nan 0.000 0.499 263 S N -1.029 114.637 115.700 -0.057 0.000 2.583 263 S HA 0.395 4.902 4.470 0.062 0.000 0.239 263 S C 1.321 175.880 174.600 -0.068 0.000 0.966 263 S CA 0.250 58.422 58.200 -0.047 0.000 0.973 263 S CB 0.735 63.920 63.200 -0.025 0.000 0.794 263 S HN 0.388 nan 8.310 nan 0.000 0.463 264 G N 1.651 110.394 108.800 -0.095 0.000 2.157 264 G HA2 -0.233 3.764 3.960 0.062 0.000 0.239 264 G HA3 -0.233 3.764 3.960 0.062 0.000 0.239 264 G C 0.448 175.273 174.900 -0.125 0.000 0.982 264 G CA 0.186 45.230 45.100 -0.094 0.000 0.650 264 G HN 0.507 nan 8.290 nan 0.000 0.527 265 E N -0.333 119.738 120.200 -0.216 0.000 2.347 265 E HA 0.263 4.650 4.350 0.062 0.000 0.196 265 E C 2.185 178.667 176.600 -0.197 0.000 1.008 265 E CA 0.702 56.948 56.400 -0.256 0.000 0.852 265 E CB 0.018 29.408 29.700 -0.517 0.000 0.783 265 E HN 0.610 nan 8.360 nan 0.000 0.505 266 L N 0.264 121.385 121.223 -0.169 0.000 2.808 266 L HA 0.142 4.519 4.340 0.062 0.000 0.246 266 L C 0.689 177.596 176.870 0.062 0.000 1.153 266 L CA -0.204 54.677 54.840 0.069 0.000 0.956 266 L CB 0.422 42.500 42.059 0.032 0.000 1.270 266 L HN -0.051 nan 8.230 nan 0.000 0.528 267 D N 0.963 121.328 120.400 -0.059 0.000 2.123 267 D HA -0.252 4.425 4.640 0.062 0.000 0.196 267 D C 1.888 178.092 176.300 -0.160 0.000 0.992 267 D CA 1.204 55.150 54.000 -0.091 0.000 0.833 267 D CB 0.188 40.930 40.800 -0.096 0.000 0.954 267 D HN 0.346 nan 8.370 nan 0.000 0.455 268 E N -0.882 119.131 120.200 -0.311 0.000 2.219 268 E HA -0.196 4.191 4.350 0.062 0.000 0.198 268 E C 1.043 177.300 176.600 -0.571 0.000 0.998 268 E CA 0.881 56.958 56.400 -0.537 0.000 0.818 268 E CB -0.023 29.156 29.700 -0.869 0.000 0.741 268 E HN 0.282 nan 8.360 nan 0.000 0.477 269 F N -0.045 119.885 119.950 -0.033 0.000 2.720 269 F HA 0.246 4.811 4.527 0.062 0.000 0.301 269 F C 0.643 176.414 175.800 -0.049 0.000 1.103 269 F CA -0.153 57.830 58.000 -0.028 0.000 1.291 269 F CB 0.236 39.240 39.000 0.007 0.000 1.086 269 F HN -0.155 nan 8.300 nan 0.000 0.592 270 L N 1.803 123.069 121.223 0.073 0.000 2.380 270 L HA 0.193 4.570 4.340 0.062 0.000 0.273 270 L C -0.250 176.592 176.870 -0.048 0.000 1.138 270 L CA -0.473 54.378 54.840 0.018 0.000 0.832 270 L CB 0.424 42.482 42.059 -0.002 0.000 1.124 270 L HN -0.102 nan 8.230 nan 0.000 0.454 271 L N 2.127 123.306 121.223 -0.073 0.000 2.376 271 L HA 0.190 4.567 4.340 0.062 0.000 0.267 271 L C 1.468 178.221 176.870 -0.195 0.000 1.035 271 L CA -0.151 54.591 54.840 -0.162 0.000 0.800 271 L CB 1.046 42.980 42.059 -0.209 0.000 1.290 271 L HN 0.682 nan 8.230 nan 0.000 0.462 272 E N -0.180 119.803 120.200 -0.362 0.000 2.130 272 E HA -0.288 4.099 4.350 0.062 0.000 0.196 272 E C 1.430 177.858 176.600 -0.286 0.000 0.998 272 E CA 2.140 58.317 56.400 -0.372 0.000 0.806 272 E CB -0.473 28.936 29.700 -0.484 0.000 0.738 272 E HN 0.639 nan 8.360 nan 0.000 0.459 273 Y N 1.780 122.075 120.300 -0.009 0.000 2.293 273 Y HA -0.097 4.490 4.550 0.062 0.000 0.291 273 Y C 2.117 178.039 175.900 0.037 0.000 1.137 273 Y CA 1.019 59.143 58.100 0.040 0.000 1.202 273 Y CB -0.188 38.336 38.460 0.107 0.000 0.990 273 Y HN 0.027 nan 8.280 nan 0.000 0.537 274 D N 0.151 120.636 120.400 0.141 0.000 2.117 274 D HA -0.114 4.563 4.640 0.062 0.000 0.198 274 D C 2.114 178.432 176.300 0.029 0.000 0.982 274 D CA 0.838 54.884 54.000 0.078 0.000 0.828 274 D CB -0.136 40.692 40.800 0.047 0.000 0.967 274 D HN 0.291 nan 8.370 nan 0.000 0.464 275 R N 0.691 121.191 120.500 -0.001 0.000 2.073 275 R HA -0.030 4.347 4.340 0.062 0.000 0.234 275 R C 2.693 178.998 176.300 0.009 0.000 1.134 275 R CA 0.389 56.481 56.100 -0.012 0.000 0.952 275 R CB -1.103 29.173 30.300 -0.039 0.000 0.850 275 R HN 0.288 nan 8.270 nan 0.000 0.433 276 L N 0.390 121.626 121.223 0.022 0.000 2.046 276 L HA -0.148 4.229 4.340 0.062 0.000 0.208 276 L C 2.591 179.502 176.870 0.069 0.000 1.077 276 L CA 0.941 55.809 54.840 0.046 0.000 0.747 276 L CB -0.572 41.525 42.059 0.063 0.000 0.896 276 L HN -0.065 nan 8.230 nan 0.000 0.432 277 V N 0.018 119.986 119.914 0.089 0.000 2.343 277 V HA -0.328 3.829 4.120 0.062 0.000 0.247 277 V C 2.249 178.382 176.094 0.064 0.000 1.051 277 V CA 2.182 64.544 62.300 0.103 0.000 1.036 277 V CB -0.423 31.475 31.823 0.126 0.000 0.654 277 V HN 0.503 nan 8.190 nan 0.000 0.451 278 D N -0.022 120.389 120.400 0.017 0.000 2.123 278 D HA -0.204 4.473 4.640 0.062 0.000 0.196 278 D C 2.171 178.488 176.300 0.027 0.000 0.992 278 D CA 1.678 55.676 54.000 -0.003 0.000 0.833 278 D CB -0.084 40.705 40.800 -0.018 0.000 0.954 278 D HN 0.551 nan 8.370 nan 0.000 0.455 279 E N -0.643 119.576 120.200 0.031 0.000 2.150 279 E HA -0.089 4.298 4.350 0.062 0.000 0.193 279 E C 1.786 178.413 176.600 0.046 0.000 0.985 279 E CA 1.169 57.589 56.400 0.033 0.000 0.814 279 E CB 0.001 29.715 29.700 0.024 0.000 0.752 279 E HN 0.324 nan 8.360 nan 0.000 0.466 280 S N 0.215 115.950 115.700 0.060 0.000 2.575 280 S HA 0.042 4.549 4.470 0.062 0.000 0.215 280 S C 0.861 175.513 174.600 0.086 0.000 0.966 280 S CA -0.254 57.986 58.200 0.067 0.000 0.911 280 S CB 0.010 63.253 63.200 0.071 0.000 0.780 280 S HN 0.121 nan 8.310 nan 0.000 0.514 281 S N 0.661 116.420 115.700 0.100 0.000 2.669 281 S HA 0.746 5.253 4.470 0.062 0.000 0.270 281 S C 1.236 175.902 174.600 0.111 0.000 1.225 281 S CA -0.323 57.960 58.200 0.138 0.000 0.991 281 S CB 1.108 64.406 63.200 0.162 0.000 0.987 281 S HN 0.407 nan 8.310 nan 0.000 0.552 282 A N 0.902 123.800 122.820 0.131 0.000 2.066 282 A HA 0.062 4.419 4.320 0.062 0.000 0.218 282 A C 0.983 178.638 177.584 0.119 0.000 1.157 282 A CA 0.890 52.992 52.037 0.109 0.000 0.670 282 A CB -0.817 18.248 19.000 0.109 0.000 0.804 282 A HN 0.942 nan 8.150 nan 0.000 0.453 283 N N -0.480 118.299 118.700 0.133 0.000 2.723 283 N HA 0.223 5.000 4.740 0.062 0.000 0.290 283 N C -3.452 172.108 175.510 0.084 0.000 1.882 283 N CA -1.998 51.125 53.050 0.122 0.000 0.851 283 N CB 0.076 38.660 38.487 0.161 0.000 1.234 283 N HN 0.050 nan 8.380 nan 0.000 0.491 284 P HA 0.156 nan 4.420 nan 0.000 0.264 284 P C 1.030 178.350 177.300 0.034 0.000 1.193 284 P CA 1.045 64.170 63.100 0.042 0.000 0.763 284 P CB 0.606 32.329 31.700 0.039 0.000 0.810 285 G N 1.947 110.758 108.800 0.019 0.000 2.199 285 G HA2 -0.223 3.774 3.960 0.062 0.000 0.254 285 G HA3 -0.223 3.774 3.960 0.062 0.000 0.254 285 G C 0.005 174.918 174.900 0.022 0.000 0.982 285 G CA -0.118 44.991 45.100 0.014 0.000 0.632 285 G HN 0.610 nan 8.290 nan 0.000 0.529 286 Q N -0.840 118.981 119.800 0.035 0.000 2.351 286 Q HA 0.624 5.001 4.340 0.062 0.000 0.273 286 Q C 0.105 176.137 176.000 0.053 0.000 1.077 286 Q CA -0.950 54.886 55.803 0.056 0.000 0.843 286 Q CB 1.214 30.003 28.738 0.085 0.000 1.367 286 Q HN 0.181 nan 8.270 nan 0.000 0.449 287 Q N 0.753 120.606 119.800 0.088 0.000 2.463 287 Q HA -0.226 4.151 4.340 0.062 0.000 0.299 287 Q C 0.343 176.372 176.000 0.049 0.000 1.353 287 Q CA 0.541 56.409 55.803 0.108 0.000 0.828 287 Q CB -1.805 27.006 28.738 0.121 0.000 1.157 287 Q HN 0.782 nan 8.270 nan 0.000 0.436 288 L N -1.605 119.653 121.223 0.058 0.000 2.072 288 L HA -0.153 4.224 4.340 0.062 0.000 0.205 288 L C 2.080 178.996 176.870 0.075 0.000 1.079 288 L CA 1.541 56.392 54.840 0.018 0.000 0.752 288 L CB -0.469 41.593 42.059 0.006 0.000 0.906 288 L HN 0.383 nan 8.230 nan 0.000 0.436 289 Y N 1.348 121.671 120.300 0.039 0.000 2.145 289 Y HA -0.319 4.267 4.550 0.061 0.000 0.286 289 Y C 2.648 178.596 175.900 0.081 0.000 1.145 289 Y CA 2.074 60.225 58.100 0.084 0.000 1.148 289 Y CB -0.190 38.388 38.460 0.197 0.000 0.981 289 Y HN 0.233 nan 8.280 nan 0.000 0.507 290 E N 0.301 120.585 120.200 0.140 0.000 2.118 290 E HA -0.254 4.133 4.350 0.062 0.000 0.195 290 E C 1.820 178.420 176.600 0.000 0.000 0.992 290 E CA 1.609 58.063 56.400 0.090 0.000 0.804 290 E CB -0.154 29.678 29.700 0.220 0.000 0.741 290 E HN 0.485 nan 8.360 nan 0.000 0.458 291 K N -0.080 120.222 120.400 -0.163 0.000 2.439 291 K HA -0.022 4.335 4.320 0.062 0.000 0.197 291 K C 1.745 178.291 176.600 -0.090 0.000 1.041 291 K CA 0.470 56.536 56.287 -0.369 0.000 0.970 291 K CB 0.121 32.304 32.500 -0.528 0.000 0.773 291 K HN 0.250 nan 8.250 nan 0.000 0.479 292 L N -0.109 121.077 121.223 -0.062 0.000 2.509 292 L HA 0.050 4.427 4.340 0.062 0.000 0.222 292 L C 1.616 178.483 176.870 -0.006 0.000 1.123 292 L CA 0.637 55.465 54.840 -0.019 0.000 0.856 292 L CB 0.068 42.093 42.059 -0.058 0.000 0.985 292 L HN 0.135 nan 8.230 nan 0.000 0.456 293 I N -1.557 119.001 120.570 -0.020 0.000 4.033 293 I HA 0.183 4.390 4.170 0.062 0.000 0.296 293 I C 1.473 177.617 176.117 0.045 0.000 1.210 293 I CA -0.040 61.263 61.300 0.005 0.000 1.341 293 I CB -0.049 37.901 38.000 -0.083 0.000 1.369 293 I HN 0.049 nan 8.210 nan 0.000 0.453 294 G N 0.410 109.291 108.800 0.134 0.000 2.544 294 G HA2 0.273 4.270 3.960 0.062 0.000 0.242 294 G HA3 0.273 4.270 3.960 0.062 0.000 0.242 294 G C 1.037 175.970 174.900 0.055 0.000 1.247 294 G CA 0.271 45.447 45.100 0.127 0.000 0.840 294 G HN 0.351 nan 8.290 nan 0.000 0.578 295 G N 0.142 108.909 108.800 -0.055 0.000 2.471 295 G HA2 -0.173 3.824 3.960 0.062 0.000 0.219 295 G HA3 -0.173 3.824 3.960 0.062 0.000 0.219 295 G C 1.539 176.345 174.900 -0.158 0.000 1.125 295 G CA 0.885 45.931 45.100 -0.091 0.000 0.775 295 G HN 0.636 nan 8.290 nan 0.000 0.548 296 K N -0.658 119.557 120.400 -0.309 0.000 2.211 296 K HA -0.103 4.254 4.320 0.062 0.000 0.204 296 K C 1.408 177.635 176.600 -0.622 0.000 1.047 296 K CA 1.206 57.141 56.287 -0.587 0.000 0.935 296 K CB -0.138 31.780 32.500 -0.970 0.000 0.728 296 K HN 0.572 nan 8.250 nan 0.000 0.452 297 Y N -1.789 118.525 120.300 0.025 0.000 2.430 297 Y HA 0.152 4.740 4.550 0.062 0.000 0.254 297 Y C 1.905 177.829 175.900 0.040 0.000 1.088 297 Y CA -0.362 57.761 58.100 0.039 0.000 1.267 297 Y CB 0.017 38.506 38.460 0.048 0.000 1.204 297 Y HN -0.070 nan 8.280 nan 0.000 0.515 298 M N 0.610 120.294 119.600 0.141 0.000 2.067 298 M HA -0.100 4.417 4.480 0.062 0.000 0.260 298 M C 2.279 178.635 176.300 0.093 0.000 1.069 298 M CA 2.340 57.700 55.300 0.100 0.000 1.117 298 M CB -0.417 32.215 32.600 0.054 0.000 1.334 298 M HN 0.415 nan 8.290 nan 0.000 0.407 299 G N -0.459 108.406 108.800 0.108 0.000 2.418 299 G HA2 -0.289 3.708 3.960 0.062 0.000 0.217 299 G HA3 -0.289 3.708 3.960 0.062 0.000 0.217 299 G C 1.210 176.209 174.900 0.165 0.000 1.158 299 G CA 1.307 46.533 45.100 0.210 0.000 0.771 299 G HN 0.543 nan 8.290 nan 0.000 0.545 300 E N 0.426 120.700 120.200 0.122 0.000 2.118 300 E HA -0.066 4.321 4.350 0.062 0.000 0.195 300 E C 2.489 179.143 176.600 0.089 0.000 0.992 300 E CA 0.715 57.183 56.400 0.114 0.000 0.804 300 E CB -0.439 29.338 29.700 0.128 0.000 0.741 300 E HN 0.453 nan 8.360 nan 0.000 0.458 301 L N -0.578 120.701 121.223 0.094 0.000 2.012 301 L HA -0.206 4.171 4.340 0.062 0.000 0.210 301 L C 2.411 179.235 176.870 -0.076 0.000 1.073 301 L CA 1.163 56.045 54.840 0.071 0.000 0.748 301 L CB -0.455 41.670 42.059 0.111 0.000 0.891 301 L HN 0.128 nan 8.230 nan 0.000 0.431 302 V N -0.450 119.377 119.914 -0.144 0.000 2.295 302 V HA -0.296 3.861 4.120 0.062 0.000 0.246 302 V C 2.626 178.489 176.094 -0.384 0.000 1.049 302 V CA 1.776 63.868 62.300 -0.346 0.000 1.024 302 V CB -0.668 30.869 31.823 -0.476 0.000 0.648 302 V HN 0.439 nan 8.190 nan 0.000 0.447 303 R N -0.492 119.854 120.500 -0.257 0.000 2.103 303 R HA -0.203 4.174 4.340 0.062 0.000 0.242 303 R C 2.193 178.471 176.300 -0.037 0.000 1.142 303 R CA 1.691 57.727 56.100 -0.106 0.000 0.960 303 R CB -0.270 30.083 30.300 0.087 0.000 0.858 303 R HN 0.323 nan 8.270 nan 0.000 0.439 304 L N 0.036 121.260 121.223 0.001 0.000 2.141 304 L HA -0.112 4.265 4.340 0.062 0.000 0.209 304 L C 2.285 179.190 176.870 0.060 0.000 1.094 304 L CA 1.142 56.040 54.840 0.097 0.000 0.763 304 L CB -0.614 41.573 42.059 0.213 0.000 0.908 304 L HN 0.041 nan 8.230 nan 0.000 0.437 305 V N -0.563 119.217 119.914 -0.223 0.000 2.261 305 V HA -0.288 3.869 4.120 0.062 0.000 0.246 305 V C 2.504 178.523 176.094 -0.125 0.000 1.047 305 V CA 1.471 63.567 62.300 -0.339 0.000 1.015 305 V CB -0.538 30.991 31.823 -0.490 0.000 0.642 305 V HN 0.325 nan 8.190 nan 0.000 0.446 306 L N -0.696 120.440 121.223 -0.146 0.000 2.127 306 L HA -0.201 4.176 4.340 0.062 0.000 0.211 306 L C 2.497 179.377 176.870 0.016 0.000 1.089 306 L CA 1.021 55.812 54.840 -0.083 0.000 0.757 306 L CB -0.622 41.404 42.059 -0.056 0.000 0.899 306 L HN 0.315 nan 8.230 nan 0.000 0.434 307 L N -0.255 121.001 121.223 0.054 0.000 2.056 307 L HA -0.160 4.217 4.340 0.062 0.000 0.207 307 L C 2.697 179.620 176.870 0.088 0.000 1.078 307 L CA 1.555 56.450 54.840 0.092 0.000 0.749 307 L CB -1.234 40.885 42.059 0.101 0.000 0.901 307 L HN 0.283 nan 8.230 nan 0.000 0.433 308 R N -0.564 120.004 120.500 0.114 0.000 2.091 308 R HA -0.183 4.194 4.340 0.062 0.000 0.238 308 R C 2.147 178.486 176.300 0.065 0.000 1.136 308 R CA 1.232 57.406 56.100 0.123 0.000 0.959 308 R CB -0.088 30.355 30.300 0.238 0.000 0.856 308 R HN 0.190 nan 8.270 nan 0.000 0.437 309 L N 0.525 121.763 121.223 0.024 0.000 2.083 309 L HA -0.146 4.231 4.340 0.062 0.000 0.209 309 L C 2.517 179.361 176.870 -0.045 0.000 1.083 309 L CA 1.426 56.246 54.840 -0.035 0.000 0.752 309 L CB -1.089 40.907 42.059 -0.107 0.000 0.899 309 L HN 0.179 nan 8.230 nan 0.000 0.433 310 V N -1.920 117.986 119.914 -0.014 0.000 2.548 310 V HA -0.202 3.955 4.120 0.062 0.000 0.249 310 V C 2.126 178.246 176.094 0.043 0.000 1.055 310 V CA 2.059 64.377 62.300 0.030 0.000 1.065 310 V CB -0.566 31.341 31.823 0.140 0.000 0.681 310 V HN 0.394 nan 8.190 nan 0.000 0.462 311 D N 0.382 120.809 120.400 0.046 0.000 2.178 311 D HA -0.146 4.531 4.640 0.062 0.000 0.202 311 D C 2.007 178.323 176.300 0.027 0.000 0.974 311 D CA 1.316 55.340 54.000 0.042 0.000 0.841 311 D CB -0.121 40.707 40.800 0.046 0.000 0.953 311 D HN 0.616 nan 8.370 nan 0.000 0.478 312 E N -0.056 120.156 120.200 0.019 0.000 2.489 312 E HA 0.015 4.402 4.350 0.062 0.000 0.193 312 E C 0.101 176.700 176.600 -0.001 0.000 1.057 312 E CA 0.009 56.414 56.400 0.009 0.000 0.866 312 E CB -0.081 29.624 29.700 0.009 0.000 0.916 312 E HN 0.308 nan 8.360 nan 0.000 0.500 313 N N -0.286 118.414 118.700 0.001 0.000 2.815 313 N HA -0.173 4.604 4.740 0.062 0.000 0.249 313 N C 0.142 175.633 175.510 -0.031 0.000 1.114 313 N CA 0.275 53.324 53.050 -0.002 0.000 0.717 313 N CB -1.225 37.264 38.487 0.003 0.000 1.074 313 N HN 0.141 nan 8.380 nan 0.000 0.555 314 L N -1.147 120.040 121.223 -0.060 0.000 2.766 314 L HA 0.389 4.766 4.340 0.062 0.000 0.242 314 L C 0.238 177.005 176.870 -0.173 0.000 1.136 314 L CA 0.242 55.026 54.840 -0.094 0.000 0.933 314 L CB 0.455 42.466 42.059 -0.079 0.000 1.241 314 L HN 0.169 nan 8.230 nan 0.000 0.522 315 L N -0.236 120.856 121.223 -0.219 0.000 2.482 315 L HA 0.318 4.695 4.340 0.062 0.000 0.263 315 L C -0.916 175.771 176.870 -0.306 0.000 0.957 315 L CA -0.689 53.871 54.840 -0.467 0.000 0.836 315 L CB 2.179 43.815 42.059 -0.705 0.000 1.324 315 L HN -0.014 nan 8.230 nan 0.000 0.406 316 F N 4.161 124.074 119.950 -0.061 0.000 3.091 316 F HA -0.233 4.331 4.527 0.061 0.000 0.288 316 F C 1.177 177.013 175.800 0.060 0.000 0.907 316 F CA 1.074 59.060 58.000 -0.024 0.000 1.028 316 F CB -2.630 36.380 39.000 0.017 0.000 1.022 316 F HN 0.831 nan 8.300 nan 0.000 0.665 317 H N -2.130 117.017 119.070 0.129 0.000 2.921 317 H HA -0.183 4.410 4.556 0.062 0.000 0.281 317 H C 1.730 177.099 175.328 0.068 0.000 1.165 317 H CA 1.846 57.941 56.048 0.079 0.000 1.151 317 H CB -1.252 28.558 29.762 0.081 0.000 1.311 317 H HN 1.384 nan 8.280 nan 0.000 0.361 318 G N 0.079 108.976 108.800 0.162 0.000 2.148 318 G HA2 -0.285 3.712 3.960 0.062 0.000 0.254 318 G HA3 -0.285 3.712 3.960 0.062 0.000 0.254 318 G C -0.057 174.923 174.900 0.133 0.000 0.981 318 G CA 0.573 45.743 45.100 0.118 0.000 0.670 318 G HN 0.561 nan 8.290 nan 0.000 0.528 319 E N 0.104 120.413 120.200 0.182 0.000 2.191 319 E HA 0.618 5.005 4.350 0.062 0.000 0.263 319 E C 0.041 176.735 176.600 0.158 0.000 0.881 319 E CA -0.197 56.288 56.400 0.141 0.000 0.757 319 E CB 1.833 31.600 29.700 0.112 0.000 1.147 319 E HN 0.590 nan 8.360 nan 0.000 0.414 320 A N 2.407 125.298 122.820 0.119 0.000 2.292 320 A HA 0.462 4.819 4.320 0.062 0.000 0.319 320 A C 0.342 177.944 177.584 0.030 0.000 1.206 320 A CA -0.667 51.429 52.037 0.098 0.000 0.835 320 A CB 0.725 19.795 19.000 0.118 0.000 1.164 320 A HN 0.638 nan 8.150 nan 0.000 0.505 321 S N 1.548 117.232 115.700 -0.027 0.000 2.600 321 S HA 0.157 4.664 4.470 0.062 0.000 0.265 321 S C 0.933 175.529 174.600 -0.006 0.000 1.325 321 S CA 0.334 58.512 58.200 -0.036 0.000 1.002 321 S CB 0.774 63.921 63.200 -0.087 0.000 0.921 321 S HN 0.729 nan 8.310 nan 0.000 0.554 322 E N 0.785 120.981 120.200 -0.007 0.000 2.070 322 E HA -0.204 4.183 4.350 0.062 0.000 0.197 322 E C 2.143 178.750 176.600 0.011 0.000 1.004 322 E CA 1.973 58.375 56.400 0.004 0.000 0.805 322 E CB -0.487 29.212 29.700 -0.002 0.000 0.744 322 E HN 0.803 nan 8.360 nan 0.000 0.451 323 Q N -0.832 118.970 119.800 0.002 0.000 2.124 323 Q HA -0.127 4.250 4.340 0.062 0.000 0.202 323 Q C 2.125 178.153 176.000 0.046 0.000 0.977 323 Q CA 1.228 57.041 55.803 0.018 0.000 0.850 323 Q CB -0.161 28.580 28.738 0.004 0.000 0.901 323 Q HN 0.251 nan 8.270 nan 0.000 0.429 324 L N 0.483 121.730 121.223 0.040 0.000 2.217 324 L HA -0.099 4.278 4.340 0.062 0.000 0.211 324 L C 1.513 178.437 176.870 0.090 0.000 1.107 324 L CA 1.565 56.456 54.840 0.084 0.000 0.783 324 L CB 0.045 42.141 42.059 0.061 0.000 0.919 324 L HN -0.025 nan 8.230 nan 0.000 0.442 325 R N -0.934 119.604 120.500 0.063 0.000 2.317 325 R HA 0.106 4.483 4.340 0.062 0.000 0.208 325 R C 0.348 176.680 176.300 0.054 0.000 0.914 325 R CA 0.546 56.682 56.100 0.061 0.000 1.060 325 R CB -0.326 30.003 30.300 0.048 0.000 1.015 325 R HN 0.444 nan 8.270 nan 0.000 0.498 326 T N -1.118 113.468 114.554 0.054 0.000 2.837 326 T HA 0.308 4.695 4.350 0.062 0.000 0.285 326 T C 0.204 174.936 174.700 0.053 0.000 0.984 326 T CA -0.867 61.260 62.100 0.044 0.000 1.049 326 T CB 1.448 70.334 68.868 0.031 0.000 0.947 326 T HN 0.013 nan 8.240 nan 0.000 0.472 327 R N 1.862 122.388 120.500 0.044 0.000 2.585 327 R HA 0.374 4.751 4.340 0.062 0.000 0.275 327 R C 1.714 178.036 176.300 0.036 0.000 1.018 327 R CA 1.204 57.333 56.100 0.047 0.000 1.072 327 R CB -0.134 30.190 30.300 0.039 0.000 0.953 327 R HN 1.160 nan 8.270 nan 0.000 0.419 328 G N 1.573 110.400 108.800 0.044 0.000 2.175 328 G HA2 -0.406 3.591 3.960 0.062 0.000 0.265 328 G HA3 -0.406 3.591 3.960 0.062 0.000 0.265 328 G C 0.931 175.827 174.900 -0.007 0.000 0.979 328 G CA 0.556 45.663 45.100 0.012 0.000 0.663 328 G HN 0.746 nan 8.290 nan 0.000 0.533 329 A N -0.580 122.265 122.820 0.042 0.000 1.930 329 A HA 0.408 4.765 4.320 0.062 0.000 0.217 329 A C 1.089 178.708 177.584 0.060 0.000 1.175 329 A CA 1.206 53.270 52.037 0.045 0.000 0.627 329 A CB -0.114 18.938 19.000 0.088 0.000 0.815 329 A HN 0.993 nan 8.150 nan 0.000 0.443 330 F N 2.271 122.234 119.950 0.021 0.000 2.464 330 F HA 0.256 4.820 4.527 0.062 0.000 0.353 330 F C 0.410 176.108 175.800 -0.170 0.000 1.191 330 F CA -0.558 57.477 58.000 0.058 0.000 1.147 330 F CB -0.051 39.014 39.000 0.108 0.000 1.294 330 F HN 0.262 nan 8.300 nan 0.000 0.583 331 E N 2.425 122.164 120.200 -0.767 0.000 2.390 331 E HA 0.032 4.419 4.350 0.062 0.000 0.261 331 E C 1.197 177.558 176.600 -0.399 0.000 1.076 331 E CA -0.029 55.939 56.400 -0.720 0.000 0.905 331 E CB 0.988 29.965 29.700 -1.205 0.000 0.984 331 E HN 0.550 nan 8.360 nan 0.000 0.427 332 T N 2.092 116.531 114.554 -0.191 0.000 2.788 332 T HA -0.190 4.197 4.350 0.062 0.000 0.268 332 T C 1.754 176.437 174.700 -0.029 0.000 1.044 332 T CA 1.505 63.581 62.100 -0.039 0.000 1.139 332 T CB -0.133 68.708 68.868 -0.044 0.000 0.867 332 T HN 0.521 nan 8.240 nan 0.000 0.454 333 R N 0.562 120.992 120.500 -0.116 0.000 2.159 333 R HA -0.085 4.292 4.340 0.062 0.000 0.237 333 R C 1.702 178.066 176.300 0.108 0.000 1.131 333 R CA 1.412 57.497 56.100 -0.025 0.000 0.982 333 R CB -0.843 29.435 30.300 -0.037 0.000 0.868 333 R HN 0.275 nan 8.270 nan 0.000 0.453 334 F N 1.420 121.276 119.950 -0.158 0.000 2.216 334 F HA -0.051 4.513 4.527 0.061 0.000 0.300 334 F C 2.427 178.198 175.800 -0.048 0.000 1.085 334 F CA -0.087 57.758 58.000 -0.258 0.000 1.326 334 F CB -0.809 37.725 39.000 -0.776 0.000 1.027 334 F HN -0.165 nan 8.300 nan 0.000 0.497 335 V N -0.654 119.441 119.914 0.301 0.000 2.307 335 V HA -0.262 3.895 4.120 0.062 0.000 0.245 335 V C 2.360 178.524 176.094 0.117 0.000 1.045 335 V CA 2.003 64.490 62.300 0.313 0.000 1.024 335 V CB -1.065 30.944 31.823 0.310 0.000 0.651 335 V HN 0.267 nan 8.190 nan 0.000 0.449 336 S N -0.519 115.195 115.700 0.023 0.000 2.359 336 S HA -0.316 4.191 4.470 0.062 0.000 0.224 336 S C 2.009 176.515 174.600 -0.156 0.000 1.035 336 S CA 1.847 59.905 58.200 -0.237 0.000 1.018 336 S CB -0.369 62.754 63.200 -0.128 0.000 0.876 336 S HN 0.645 nan 8.310 nan 0.000 0.448 337 Q N 0.331 120.110 119.800 -0.037 0.000 2.050 337 Q HA -0.072 4.305 4.340 0.062 0.000 0.202 337 Q C 2.339 178.319 176.000 -0.033 0.000 0.980 337 Q CA 1.378 57.161 55.803 -0.034 0.000 0.840 337 Q CB -0.385 28.343 28.738 -0.016 0.000 0.898 337 Q HN 0.332 nan 8.270 nan 0.000 0.424 338 V N 1.408 121.328 119.914 0.009 0.000 2.287 338 V HA -0.278 3.879 4.120 0.062 0.000 0.248 338 V C 1.683 177.778 176.094 0.002 0.000 1.053 338 V CA 2.076 64.397 62.300 0.034 0.000 1.027 338 V CB -0.416 31.485 31.823 0.131 0.000 0.646 338 V HN 0.402 nan 8.190 nan 0.000 0.447 339 E N -0.423 119.755 120.200 -0.035 0.000 2.481 339 E HA -0.030 4.357 4.350 0.062 0.000 0.195 339 E C 2.065 178.611 176.600 -0.090 0.000 1.047 339 E CA 0.601 56.964 56.400 -0.062 0.000 0.867 339 E CB 0.025 29.673 29.700 -0.087 0.000 0.858 339 E HN 0.490 nan 8.360 nan 0.000 0.513 340 S N 0.950 116.593 115.700 -0.095 0.000 2.527 340 S HA -0.065 4.442 4.470 0.062 0.000 0.222 340 S C 0.446 175.023 174.600 -0.039 0.000 0.985 340 S CA 0.017 58.175 58.200 -0.070 0.000 0.921 340 S CB -0.101 63.057 63.200 -0.070 0.000 0.772 340 S HN 0.285 nan 8.310 nan 0.000 0.529 341 D N 1.901 122.284 120.400 -0.028 0.000 2.488 341 D HA 0.014 4.691 4.640 0.062 0.000 0.238 341 D C 1.352 177.645 176.300 -0.012 0.000 1.138 341 D CA 0.625 54.617 54.000 -0.014 0.000 0.873 341 D CB 0.863 41.662 40.800 -0.002 0.000 1.183 341 D HN 0.199 nan 8.370 nan 0.000 0.458 342 T N 0.712 115.260 114.554 -0.010 0.000 3.100 342 T HA 0.282 4.669 4.350 0.062 0.000 0.253 342 T C 1.448 176.144 174.700 -0.007 0.000 1.118 342 T CA 0.422 62.517 62.100 -0.009 0.000 1.058 342 T CB 0.253 69.115 68.868 -0.010 0.000 0.953 342 T HN 0.655 nan 8.240 nan 0.000 0.515 343 G N 2.143 110.941 108.800 -0.005 0.000 2.545 343 G HA2 -0.213 3.784 3.960 0.062 0.000 0.195 343 G HA3 -0.213 3.784 3.960 0.062 0.000 0.195 343 G C 0.619 175.517 174.900 -0.004 0.000 1.009 343 G CA 0.420 45.518 45.100 -0.004 0.000 0.703 343 G HN 0.620 nan 8.290 nan 0.000 0.479 344 D N 0.484 120.880 120.400 -0.006 0.000 2.355 344 D HA 0.194 4.871 4.640 0.062 0.000 0.218 344 D C 1.430 177.725 176.300 -0.007 0.000 1.004 344 D CA 0.612 54.605 54.000 -0.012 0.000 0.880 344 D CB -0.240 40.549 40.800 -0.019 0.000 0.911 344 D HN 0.569 nan 8.370 nan 0.000 0.528 345 R N -1.322 119.183 120.500 0.008 0.000 3.919 345 R HA -0.172 4.205 4.340 0.062 0.000 0.412 345 R C 1.167 177.501 176.300 0.057 0.000 1.102 345 R CA 1.224 57.344 56.100 0.034 0.000 1.082 345 R CB -2.084 28.242 30.300 0.044 0.000 1.671 345 R HN 0.212 nan 8.270 nan 0.000 0.540 346 K N 0.673 121.089 120.400 0.027 0.000 2.097 346 K HA -0.105 4.252 4.320 0.062 0.000 0.205 346 K C 1.707 178.343 176.600 0.060 0.000 1.050 346 K CA 1.535 57.845 56.287 0.038 0.000 0.938 346 K CB -0.039 32.462 32.500 0.001 0.000 0.718 346 K HN 0.359 nan 8.250 nan 0.000 0.442 347 Q N 0.465 120.279 119.800 0.023 0.000 2.079 347 Q HA -0.085 4.292 4.340 0.062 0.000 0.200 347 Q C 2.158 178.148 176.000 -0.017 0.000 0.974 347 Q CA 1.166 56.964 55.803 -0.008 0.000 0.840 347 Q CB -0.050 28.674 28.738 -0.023 0.000 0.898 347 Q HN 0.328 nan 8.270 nan 0.000 0.430 348 I N -0.295 120.287 120.570 0.021 0.000 2.226 348 I HA -0.303 3.904 4.170 0.062 0.000 0.245 348 I C 2.275 178.416 176.117 0.040 0.000 1.100 348 I CA 1.296 62.616 61.300 0.033 0.000 1.374 348 I CB -0.463 37.579 38.000 0.070 0.000 1.057 348 I HN 0.207 nan 8.210 nan 0.000 0.413 349 Y N 2.574 122.858 120.300 -0.026 0.000 2.128 349 Y HA -0.293 4.293 4.550 0.061 0.000 0.284 349 Y C 2.477 178.338 175.900 -0.066 0.000 1.154 349 Y CA 1.886 59.970 58.100 -0.026 0.000 1.149 349 Y CB -0.303 38.145 38.460 -0.019 0.000 0.976 349 Y HN 0.190 nan 8.280 nan 0.000 0.505 350 N N 0.476 119.178 118.700 0.003 0.000 2.188 350 N HA -0.174 4.603 4.740 0.062 0.000 0.184 350 N C 2.001 177.356 175.510 -0.257 0.000 1.018 350 N CA 1.732 54.720 53.050 -0.103 0.000 0.858 350 N CB -0.455 38.014 38.487 -0.030 0.000 0.989 350 N HN 0.452 nan 8.380 nan 0.000 0.426 351 I N 1.037 121.422 120.570 -0.308 0.000 2.163 351 I HA -0.257 3.950 4.170 0.062 0.000 0.243 351 I C 1.906 177.770 176.117 -0.422 0.000 1.085 351 I CA 1.121 62.108 61.300 -0.522 0.000 1.347 351 I CB -0.137 37.515 38.000 -0.580 0.000 1.044 351 I HN 0.055 nan 8.210 nan 0.000 0.408 352 L N -0.879 120.165 121.223 -0.298 0.000 2.240 352 L HA -0.111 4.266 4.340 0.062 0.000 0.211 352 L C 2.618 179.282 176.870 -0.343 0.000 1.106 352 L CA 0.651 55.337 54.840 -0.257 0.000 0.793 352 L CB -0.510 41.449 42.059 -0.167 0.000 0.927 352 L HN 0.185 nan 8.230 nan 0.000 0.446 353 S N -0.247 115.192 115.700 -0.436 0.000 2.356 353 S HA -0.188 4.319 4.470 0.062 0.000 0.223 353 S C 1.971 176.422 174.600 -0.249 0.000 1.032 353 S CA 2.132 60.089 58.200 -0.405 0.000 1.005 353 S CB -0.191 62.724 63.200 -0.475 0.000 0.867 353 S HN 0.426 nan 8.310 nan 0.000 0.449 354 T N 2.147 116.562 114.554 -0.230 0.000 3.007 354 T HA 0.114 4.501 4.350 0.062 0.000 0.270 354 T C 1.330 175.951 174.700 -0.132 0.000 1.107 354 T CA 0.681 62.683 62.100 -0.163 0.000 1.118 354 T CB -0.218 68.548 68.868 -0.170 0.000 0.889 354 T HN 0.315 nan 8.240 nan 0.000 0.506 355 L N 0.704 121.830 121.223 -0.161 0.000 2.645 355 L HA 0.249 4.626 4.340 0.062 0.000 0.235 355 L C 1.758 178.551 176.870 -0.128 0.000 1.150 355 L CA 0.051 54.827 54.840 -0.108 0.000 0.911 355 L CB -0.522 41.486 42.059 -0.085 0.000 1.077 355 L HN 0.434 nan 8.230 nan 0.000 0.438 356 G N 0.250 108.966 108.800 -0.141 0.000 2.153 356 G HA2 -0.286 3.711 3.960 0.062 0.000 0.252 356 G HA3 -0.286 3.711 3.960 0.062 0.000 0.252 356 G C 0.086 174.883 174.900 -0.172 0.000 0.994 356 G CA 0.100 45.124 45.100 -0.127 0.000 0.698 356 G HN 0.280 nan 8.290 nan 0.000 0.521 357 L N -0.624 120.444 121.223 -0.258 0.000 2.352 357 L HA 0.718 5.095 4.340 0.062 0.000 0.269 357 L C 0.780 177.494 176.870 -0.261 0.000 1.034 357 L CA -1.195 53.435 54.840 -0.350 0.000 0.806 357 L CB 1.279 42.931 42.059 -0.678 0.000 1.244 357 L HN -0.103 nan 8.230 nan 0.000 0.447 358 R N 2.279 122.681 120.500 -0.163 0.000 2.664 358 R HA 0.317 4.694 4.340 0.062 0.000 0.281 358 R C -2.453 173.883 176.300 0.061 0.000 1.383 358 R CA -1.633 54.444 56.100 -0.039 0.000 1.563 358 R CB 0.470 30.795 30.300 0.042 0.000 1.131 358 R HN 0.344 nan 8.270 nan 0.000 0.599 359 P HA 0.066 nan 4.420 nan 0.000 0.276 359 P C 0.302 177.743 177.300 0.234 0.000 1.230 359 P CA -0.049 63.172 63.100 0.201 0.000 0.776 359 P CB 1.150 32.954 31.700 0.175 0.000 0.888 360 S N 1.524 117.325 115.700 0.169 0.000 2.625 360 S HA 0.113 4.620 4.470 0.062 0.000 0.262 360 S C 1.400 176.069 174.600 0.115 0.000 1.223 360 S CA 0.164 58.434 58.200 0.115 0.000 0.993 360 S CB -0.437 62.783 63.200 0.033 0.000 1.051 360 S HN 0.448 nan 8.310 nan 0.000 0.562 361 T N 0.563 115.157 114.554 0.067 0.000 2.896 361 T HA -0.024 4.363 4.350 0.062 0.000 0.263 361 T C 2.106 176.824 174.700 0.030 0.000 1.050 361 T CA 1.805 63.934 62.100 0.050 0.000 1.140 361 T CB -0.968 67.915 68.868 0.025 0.000 0.877 361 T HN 0.908 nan 8.240 nan 0.000 0.457 362 T N -0.053 114.505 114.554 0.007 0.000 2.942 362 T HA -0.087 4.300 4.350 0.062 0.000 0.265 362 T C 1.569 176.242 174.700 -0.044 0.000 1.062 362 T CA 1.103 63.191 62.100 -0.021 0.000 1.139 362 T CB -0.371 68.476 68.868 -0.035 0.000 0.883 362 T HN 0.144 nan 8.240 nan 0.000 0.468 363 D N 1.028 121.402 120.400 -0.042 0.000 2.106 363 D HA -0.102 4.575 4.640 0.062 0.000 0.191 363 D C 2.403 178.696 176.300 -0.012 0.000 0.997 363 D CA 1.414 55.366 54.000 -0.081 0.000 0.834 363 D CB -0.869 39.971 40.800 0.067 0.000 0.956 363 D HN 0.472 nan 8.370 nan 0.000 0.448 364 C N 1.046 120.388 119.300 0.071 0.000 2.413 364 C HA -0.150 4.347 4.460 0.062 0.000 0.277 364 C C 2.273 177.282 174.990 0.032 0.000 1.228 364 C CA 0.641 59.709 59.018 0.084 0.000 1.731 364 C CB -0.797 27.008 27.740 0.108 0.000 2.042 364 C HN 0.358 nan 8.230 nan 0.000 0.468 365 D N 0.674 121.079 120.400 0.008 0.000 2.144 365 D HA -0.075 4.602 4.640 0.062 0.000 0.199 365 D C 1.862 178.141 176.300 -0.035 0.000 0.984 365 D CA 1.107 55.100 54.000 -0.011 0.000 0.834 365 D CB -0.416 40.375 40.800 -0.015 0.000 0.955 365 D HN 0.496 nan 8.370 nan 0.000 0.465 366 I N 0.287 120.819 120.570 -0.063 0.000 2.315 366 I HA -0.189 4.018 4.170 0.062 0.000 0.248 366 I C 2.322 178.376 176.117 -0.106 0.000 1.117 366 I CA 0.434 61.675 61.300 -0.100 0.000 1.404 366 I CB -0.001 37.908 38.000 -0.150 0.000 1.071 366 I HN -0.121 nan 8.210 nan 0.000 0.419 367 V N 0.750 120.619 119.914 -0.075 0.000 2.358 367 V HA -0.271 3.886 4.120 0.062 0.000 0.246 367 V C 2.617 178.693 176.094 -0.030 0.000 1.047 367 V CA 1.799 64.073 62.300 -0.044 0.000 1.035 367 V CB -0.761 31.110 31.823 0.080 0.000 0.658 367 V HN 0.398 nan 8.190 nan 0.000 0.452 368 R N -0.106 120.391 120.500 -0.004 0.000 2.083 368 R HA -0.176 4.201 4.340 0.062 0.000 0.237 368 R C 2.599 178.875 176.300 -0.040 0.000 1.137 368 R CA 1.517 57.615 56.100 -0.003 0.000 0.951 368 R CB -0.184 30.117 30.300 0.003 0.000 0.851 368 R HN 0.299 nan 8.270 nan 0.000 0.434 369 R N 0.068 120.532 120.500 -0.059 0.000 2.127 369 R HA -0.100 4.277 4.340 0.062 0.000 0.238 369 R C 2.093 178.310 176.300 -0.138 0.000 1.134 369 R CA 1.408 57.459 56.100 -0.081 0.000 0.975 369 R CB -0.711 29.546 30.300 -0.072 0.000 0.865 369 R HN 0.351 nan 8.270 nan 0.000 0.447 370 A N 0.275 122.994 122.820 -0.168 0.000 1.873 370 A HA -0.156 4.201 4.320 0.062 0.000 0.215 370 A C 2.627 180.029 177.584 -0.304 0.000 1.186 370 A CA 1.493 53.368 52.037 -0.270 0.000 0.616 370 A CB -0.838 17.999 19.000 -0.272 0.000 0.823 370 A HN 0.393 nan 8.150 nan 0.000 0.442 371 C N -0.363 118.828 119.300 -0.182 0.000 2.429 371 C HA -0.086 4.411 4.460 0.062 0.000 0.277 371 C C 2.640 177.581 174.990 -0.080 0.000 1.262 371 C CA 1.148 60.108 59.018 -0.096 0.000 1.733 371 C CB -1.319 26.447 27.740 0.043 0.000 2.010 371 C HN 0.678 nan 8.230 nan 0.000 0.483 372 E N 0.815 120.968 120.200 -0.078 0.000 2.110 372 E HA -0.146 4.241 4.350 0.062 0.000 0.193 372 E C 2.232 178.740 176.600 -0.153 0.000 0.988 372 E CA 1.495 57.855 56.400 -0.067 0.000 0.804 372 E CB -0.202 29.467 29.700 -0.052 0.000 0.745 372 E HN 0.591 nan 8.360 nan 0.000 0.458 373 S N 0.594 116.144 115.700 -0.250 0.000 2.371 373 S HA -0.097 4.410 4.470 0.062 0.000 0.224 373 S C 2.263 176.565 174.600 -0.495 0.000 1.029 373 S CA 0.747 58.733 58.200 -0.356 0.000 0.978 373 S CB -0.089 62.813 63.200 -0.497 0.000 0.833 373 S HN 0.047 nan 8.310 nan 0.000 0.466 374 V N 2.532 122.091 119.914 -0.593 0.000 2.307 374 V HA -0.141 4.016 4.120 0.062 0.000 0.245 374 V C 2.715 178.726 176.094 -0.139 0.000 1.045 374 V CA 1.962 64.022 62.300 -0.400 0.000 1.024 374 V CB -0.957 30.667 31.823 -0.332 0.000 0.651 374 V HN 0.686 nan 8.190 nan 0.000 0.449 375 S N -0.819 114.810 115.700 -0.118 0.000 2.406 375 S HA -0.167 4.340 4.470 0.062 0.000 0.228 375 S C 1.904 176.426 174.600 -0.129 0.000 1.020 375 S CA 1.581 59.736 58.200 -0.075 0.000 0.965 375 S CB -0.603 62.520 63.200 -0.129 0.000 0.798 375 S HN 0.553 nan 8.310 nan 0.000 0.488 376 T N 2.102 116.533 114.554 -0.205 0.000 2.777 376 T HA -0.007 4.380 4.350 0.062 0.000 0.266 376 T C 1.886 176.346 174.700 -0.400 0.000 1.040 376 T CA 1.298 63.173 62.100 -0.375 0.000 1.141 376 T CB -0.304 68.351 68.868 -0.354 0.000 0.868 376 T HN 0.441 nan 8.240 nan 0.000 0.444 377 R N 0.834 121.239 120.500 -0.158 0.000 2.096 377 R HA -0.041 4.336 4.340 0.062 0.000 0.235 377 R C 2.604 178.902 176.300 -0.004 0.000 1.127 377 R CA 1.351 57.441 56.100 -0.017 0.000 0.968 377 R CB -0.419 29.989 30.300 0.180 0.000 0.861 377 R HN 0.381 nan 8.270 nan 0.000 0.440 378 A N 0.828 123.659 122.820 0.018 0.000 1.877 378 A HA -0.133 4.224 4.320 0.062 0.000 0.216 378 A C 2.370 180.016 177.584 0.102 0.000 1.186 378 A CA 1.768 53.870 52.037 0.109 0.000 0.620 378 A CB -0.863 18.274 19.000 0.228 0.000 0.822 378 A HN 0.521 nan 8.150 nan 0.000 0.443 379 A N -0.735 121.975 122.820 -0.183 0.000 1.883 379 A HA -0.236 4.121 4.320 0.062 0.000 0.217 379 A C 1.986 179.539 177.584 -0.053 0.000 1.186 379 A CA 1.852 53.523 52.037 -0.608 0.000 0.624 379 A CB -1.088 17.392 19.000 -0.867 0.000 0.822 379 A HN 0.785 nan 8.150 nan 0.000 0.444 380 H N -2.013 116.981 119.070 -0.127 0.000 2.363 380 H HA -0.033 4.560 4.556 0.061 0.000 0.301 380 H C 2.235 177.531 175.328 -0.053 0.000 1.074 380 H CA 1.054 57.047 56.048 -0.091 0.000 1.354 380 H CB -0.085 29.627 29.762 -0.083 0.000 1.397 380 H HN 0.305 nan 8.280 nan 0.000 0.516 381 M N 0.168 119.817 119.600 0.081 0.000 2.117 381 M HA -0.205 4.312 4.480 0.062 0.000 0.262 381 M C 2.719 179.063 176.300 0.073 0.000 1.065 381 M CA 0.750 56.074 55.300 0.040 0.000 1.114 381 M CB -1.012 31.559 32.600 -0.048 0.000 1.361 381 M HN 0.408 nan 8.290 nan 0.000 0.408 382 C N 0.753 120.101 119.300 0.079 0.000 2.413 382 C HA -0.158 4.339 4.460 0.062 0.000 0.276 382 C C 3.257 178.469 174.990 0.369 0.000 1.248 382 C CA 1.854 60.997 59.018 0.208 0.000 1.742 382 C CB -1.029 26.932 27.740 0.367 0.000 2.017 382 C HN 0.747 nan 8.230 nan 0.000 0.481 383 S N 1.173 117.050 115.700 0.294 0.000 2.399 383 S HA -0.083 4.424 4.470 0.062 0.000 0.231 383 S C 2.036 176.612 174.600 -0.039 0.000 1.022 383 S CA 1.567 59.748 58.200 -0.032 0.000 0.983 383 S CB -0.666 62.376 63.200 -0.264 0.000 0.803 383 S HN 0.780 nan 8.310 nan 0.000 0.480 384 A N 1.605 124.404 122.820 -0.034 0.000 1.969 384 A HA 0.268 4.625 4.320 0.062 0.000 0.218 384 A C 2.320 179.808 177.584 -0.160 0.000 1.169 384 A CA 1.425 53.407 52.037 -0.092 0.000 0.635 384 A CB -1.557 17.390 19.000 -0.087 0.000 0.810 384 A HN 0.659 nan 8.150 nan 0.000 0.445 385 G N -0.671 107.984 108.800 -0.243 0.000 2.395 385 G HA2 -0.079 3.918 3.960 0.062 0.000 0.214 385 G HA3 -0.079 3.918 3.960 0.062 0.000 0.214 385 G C 1.530 176.388 174.900 -0.071 0.000 1.177 385 G CA 0.727 45.502 45.100 -0.541 0.000 0.794 385 G HN 0.376 nan 8.290 nan 0.000 0.532 386 L N 0.673 122.008 121.223 0.186 0.000 2.083 386 L HA -0.012 4.365 4.340 0.062 0.000 0.209 386 L C 3.161 180.147 176.870 0.194 0.000 1.083 386 L CA 1.539 56.653 54.840 0.457 0.000 0.752 386 L CB -0.346 42.100 42.059 0.645 0.000 0.899 386 L HN 0.326 nan 8.230 nan 0.000 0.433 387 A N -0.315 122.546 122.820 0.068 0.000 1.930 387 A HA -0.098 4.259 4.320 0.062 0.000 0.217 387 A C 2.283 179.854 177.584 -0.021 0.000 1.175 387 A CA 1.378 53.419 52.037 0.005 0.000 0.627 387 A CB -1.072 17.902 19.000 -0.044 0.000 0.815 387 A HN 0.497 nan 8.150 nan 0.000 0.443 388 G N -0.386 108.386 108.800 -0.046 0.000 2.440 388 G HA2 -0.141 3.856 3.960 0.062 0.000 0.218 388 G HA3 -0.141 3.856 3.960 0.062 0.000 0.218 388 G C 1.507 176.355 174.900 -0.086 0.000 1.154 388 G CA 1.326 46.377 45.100 -0.083 0.000 0.767 388 G HN 0.312 nan 8.290 nan 0.000 0.552 389 V N 1.002 120.885 119.914 -0.051 0.000 2.307 389 V HA -0.121 4.036 4.120 0.062 0.000 0.245 389 V C 2.777 178.771 176.094 -0.168 0.000 1.045 389 V CA 1.566 63.762 62.300 -0.173 0.000 1.024 389 V CB -0.376 31.391 31.823 -0.092 0.000 0.651 389 V HN 0.381 nan 8.190 nan 0.000 0.449 390 I N 0.320 120.856 120.570 -0.057 0.000 2.252 390 I HA -0.198 4.009 4.170 0.062 0.000 0.245 390 I C 2.409 178.496 176.117 -0.051 0.000 1.102 390 I CA 1.296 62.571 61.300 -0.043 0.000 1.385 390 I CB -0.510 37.484 38.000 -0.010 0.000 1.064 390 I HN 0.345 nan 8.210 nan 0.000 0.414 391 N N 0.899 119.570 118.700 -0.049 0.000 2.104 391 N HA -0.176 4.601 4.740 0.062 0.000 0.190 391 N C 1.922 177.400 175.510 -0.055 0.000 1.024 391 N CA 1.231 54.253 53.050 -0.047 0.000 0.853 391 N CB -0.369 38.091 38.487 -0.045 0.000 1.008 391 N HN 0.306 nan 8.380 nan 0.000 0.424 392 R N 0.419 120.869 120.500 -0.083 0.000 2.083 392 R HA -0.032 4.345 4.340 0.062 0.000 0.237 392 R C 2.284 178.547 176.300 -0.061 0.000 1.137 392 R CA 1.381 57.429 56.100 -0.086 0.000 0.951 392 R CB -0.205 30.007 30.300 -0.148 0.000 0.851 392 R HN 0.275 nan 8.270 nan 0.000 0.434 393 M N -0.758 118.797 119.600 -0.076 0.000 2.159 393 M HA -0.172 4.345 4.480 0.062 0.000 0.263 393 M C 2.405 178.705 176.300 -0.001 0.000 1.063 393 M CA 1.502 56.795 55.300 -0.012 0.000 1.110 393 M CB -0.273 32.330 32.600 0.005 0.000 1.374 393 M HN 0.083 nan 8.290 nan 0.000 0.411 394 R N 0.544 121.035 120.500 -0.016 0.000 2.081 394 R HA -0.149 4.228 4.340 0.062 0.000 0.235 394 R C 1.950 178.246 176.300 -0.008 0.000 1.131 394 R CA 1.443 57.536 56.100 -0.011 0.000 0.960 394 R CB -0.014 30.276 30.300 -0.017 0.000 0.856 394 R HN 0.308 nan 8.270 nan 0.000 0.436 395 E N 0.196 120.389 120.200 -0.011 0.000 2.106 395 E HA -0.099 4.288 4.350 0.062 0.000 0.192 395 E C 2.038 178.639 176.600 0.000 0.000 0.984 395 E CA 1.296 57.692 56.400 -0.007 0.000 0.806 395 E CB -0.154 29.539 29.700 -0.011 0.000 0.750 395 E HN 0.301 nan 8.360 nan 0.000 0.458 396 S N 1.030 116.734 115.700 0.006 0.000 2.382 396 S HA -0.096 4.411 4.470 0.062 0.000 0.228 396 S C 1.264 175.873 174.600 0.015 0.000 1.027 396 S CA 0.921 59.131 58.200 0.017 0.000 0.991 396 S CB -0.016 63.206 63.200 0.037 0.000 0.823 396 S HN 0.170 nan 8.310 nan 0.000 0.469 397 R N 1.249 121.757 120.500 0.013 0.000 2.531 397 R HA 0.359 4.736 4.340 0.062 0.000 0.260 397 R C 0.437 176.740 176.300 0.005 0.000 1.144 397 R CA 0.043 56.150 56.100 0.011 0.000 1.171 397 R CB 0.304 30.612 30.300 0.013 0.000 1.199 397 R HN 0.244 nan 8.270 nan 0.000 0.594 398 S N 0.295 115.997 115.700 0.004 0.000 2.694 398 S HA 0.161 4.668 4.470 0.062 0.000 0.211 398 S C -0.658 173.942 174.600 -0.000 0.000 1.328 398 S CA -0.749 57.452 58.200 0.001 0.000 1.236 398 S CB -0.369 62.832 63.200 0.001 0.000 1.121 398 S HN 0.571 nan 8.310 nan 0.000 0.517 399 E N 0.391 120.590 120.200 -0.002 0.000 2.335 399 E HA 0.298 4.685 4.350 0.062 0.000 0.280 399 E C -1.158 175.438 176.600 -0.006 0.000 0.918 399 E CA -0.801 55.597 56.400 -0.004 0.000 0.765 399 E CB 0.939 30.637 29.700 -0.004 0.000 1.218 399 E HN 0.054 nan 8.360 nan 0.000 0.425 400 D N 0.819 121.215 120.400 -0.007 0.000 2.194 400 D HA 0.022 4.699 4.640 0.062 0.000 0.204 400 D C 0.555 176.849 176.300 -0.010 0.000 0.964 400 D CA 1.011 55.006 54.000 -0.008 0.000 0.846 400 D CB 0.546 41.342 40.800 -0.007 0.000 0.962 400 D HN 0.162 nan 8.370 nan 0.000 0.490 401 V N 1.804 121.712 119.914 -0.010 0.000 2.407 401 V HA 0.269 4.426 4.120 0.062 0.000 0.291 401 V C -0.223 175.862 176.094 -0.014 0.000 1.018 401 V CA -0.546 61.746 62.300 -0.013 0.000 0.842 401 V CB 2.223 34.038 31.823 -0.013 0.000 0.996 401 V HN -0.017 nan 8.190 nan 0.000 0.426 402 M N 5.493 125.083 119.600 -0.017 0.000 2.180 402 M HA 0.554 5.071 4.480 0.062 0.000 0.350 402 M C -0.331 175.953 176.300 -0.027 0.000 1.125 402 M CA -0.409 54.880 55.300 -0.018 0.000 1.031 402 M CB 0.928 33.518 32.600 -0.017 0.000 1.623 402 M HN 0.573 nan 8.290 nan 0.000 0.451 403 R N 4.589 125.073 120.500 -0.027 0.000 2.295 403 R HA 0.673 5.050 4.340 0.062 0.000 0.324 403 R C -1.284 174.993 176.300 -0.039 0.000 0.968 403 R CA -0.623 55.455 56.100 -0.037 0.000 0.837 403 R CB 1.518 31.799 30.300 -0.031 0.000 1.133 403 R HN 0.655 nan 8.270 nan 0.000 0.450 404 I N 0.684 121.216 120.570 -0.064 0.000 2.752 404 I HA 0.257 4.464 4.170 0.062 0.000 0.295 404 I C -0.959 175.091 176.117 -0.112 0.000 1.219 404 I CA -0.077 61.184 61.300 -0.065 0.000 1.030 404 I CB 2.817 40.782 38.000 -0.058 0.000 1.259 404 I HN 0.460 nan 8.210 nan 0.000 0.423 405 T N 5.680 120.185 114.554 -0.081 0.000 2.859 405 T HA 0.637 5.024 4.350 0.062 0.000 0.281 405 T C -0.902 173.743 174.700 -0.091 0.000 1.005 405 T CA -0.457 61.581 62.100 -0.104 0.000 1.025 405 T CB 1.515 70.357 68.868 -0.044 0.000 0.977 405 T HN 0.303 nan 8.240 nan 0.000 0.458 406 V N 2.391 122.218 119.914 -0.144 0.000 2.384 406 V HA 0.662 4.819 4.120 0.062 0.000 0.287 406 V C 0.703 176.830 176.094 0.055 0.000 1.020 406 V CA -0.889 61.389 62.300 -0.037 0.000 0.850 406 V CB 1.602 33.411 31.823 -0.023 0.000 0.987 406 V HN 1.038 nan 8.190 nan 0.000 0.436 407 G N 3.617 112.446 108.800 0.047 0.000 2.325 407 G HA2 0.591 4.588 3.960 0.062 0.000 0.298 407 G HA3 0.591 4.588 3.960 0.062 0.000 0.298 407 G C -0.922 173.974 174.900 -0.006 0.000 1.134 407 G CA -0.287 44.838 45.100 0.041 0.000 0.876 407 G HN 0.569 nan 8.290 nan 0.000 0.452 408 V N 2.602 122.483 119.914 -0.054 0.000 2.709 408 V HA 0.555 4.712 4.120 0.062 0.000 0.308 408 V C -0.967 175.025 176.094 -0.170 0.000 1.062 408 V CA -0.772 61.395 62.300 -0.222 0.000 0.901 408 V CB 2.124 33.553 31.823 -0.658 0.000 1.003 408 V HN 0.789 nan 8.190 nan 0.000 0.425 409 D N 1.190 121.497 120.400 -0.154 0.000 2.559 409 D HA 0.828 5.505 4.640 0.062 0.000 0.250 409 D C -0.248 176.010 176.300 -0.070 0.000 1.135 409 D CA 0.733 54.690 54.000 -0.072 0.000 0.955 409 D CB 2.404 43.175 40.800 -0.048 0.000 1.442 409 D HN 1.109 nan 8.370 nan 0.000 0.471 410 G N -0.354 108.429 108.800 -0.028 0.000 2.697 410 G HA2 0.102 4.099 3.960 0.062 0.000 0.684 410 G HA3 0.102 4.099 3.960 0.062 0.000 0.684 410 G C 0.619 175.510 174.900 -0.015 0.000 1.274 410 G CA 0.331 45.408 45.100 -0.037 0.000 0.806 410 G HN 0.675 nan 8.290 nan 0.000 0.644 411 S N -0.252 115.424 115.700 -0.040 0.000 2.423 411 S HA -0.058 4.449 4.470 0.062 0.000 0.231 411 S C 2.282 176.846 174.600 -0.061 0.000 1.014 411 S CA 2.130 60.308 58.200 -0.036 0.000 0.965 411 S CB -0.024 63.149 63.200 -0.044 0.000 0.785 411 S HN 1.248 nan 8.310 nan 0.000 0.495 412 V N 0.767 120.599 119.914 -0.137 0.000 2.255 412 V HA -0.108 4.049 4.120 0.062 0.000 0.243 412 V C 2.211 178.106 176.094 -0.331 0.000 1.038 412 V CA 1.945 64.079 62.300 -0.277 0.000 1.008 412 V CB -1.106 30.431 31.823 -0.475 0.000 0.645 412 V HN 0.578 nan 8.190 nan 0.000 0.449 413 Y N 1.047 121.080 120.300 -0.445 0.000 2.114 413 Y HA -0.294 4.293 4.550 0.061 0.000 0.282 413 Y C 2.570 178.435 175.900 -0.058 0.000 1.165 413 Y CA 2.167 60.130 58.100 -0.228 0.000 1.148 413 Y CB -0.086 38.277 38.460 -0.162 0.000 0.972 413 Y HN 0.139 nan 8.280 nan 0.000 0.504 414 K N -0.576 119.904 120.400 0.133 0.000 2.116 414 K HA -0.022 4.335 4.320 0.062 0.000 0.203 414 K C 1.742 178.356 176.600 0.023 0.000 1.052 414 K CA 1.453 57.805 56.287 0.108 0.000 0.952 414 K CB -0.000 32.571 32.500 0.120 0.000 0.729 414 K HN 0.354 nan 8.250 nan 0.000 0.446 415 L N -0.654 120.575 121.223 0.010 0.000 2.575 415 L HA 0.096 4.473 4.340 0.062 0.000 0.228 415 L C 1.005 177.880 176.870 0.008 0.000 1.075 415 L CA -0.253 54.589 54.840 0.003 0.000 0.867 415 L CB 0.092 42.149 42.059 -0.004 0.000 1.097 415 L HN 0.251 nan 8.230 nan 0.000 0.485 416 H N 3.474 122.506 119.070 -0.063 0.000 2.764 416 H HA 0.070 4.662 4.556 0.061 0.000 0.341 416 H C -1.694 173.620 175.328 -0.023 0.000 1.072 416 H CA -1.226 54.802 56.048 -0.033 0.000 1.444 416 H CB 1.784 31.530 29.762 -0.028 0.000 1.458 416 H HN -0.066 nan 8.280 nan 0.000 0.572 417 P HA -0.040 nan 4.420 nan 0.000 0.236 417 P C 0.558 177.900 177.300 0.070 0.000 1.177 417 P CA 0.709 63.787 63.100 -0.037 0.000 0.773 417 P CB 0.512 32.146 31.700 -0.110 0.000 0.878 418 S N -3.460 112.406 115.700 0.276 0.000 2.744 418 S HA 0.108 4.615 4.470 0.062 0.000 0.265 418 S C 1.353 176.014 174.600 0.102 0.000 1.065 418 S CA -0.512 57.788 58.200 0.166 0.000 1.191 418 S CB -1.218 62.063 63.200 0.135 0.000 1.150 418 S HN -0.070 nan 8.310 nan 0.000 0.646 419 F N 3.371 123.314 119.950 -0.012 0.000 2.043 419 F HA -0.049 4.515 4.527 0.062 0.000 0.297 419 F C 2.385 178.035 175.800 -0.250 0.000 1.121 419 F CA 2.248 60.092 58.000 -0.261 0.000 1.199 419 F CB -0.259 38.505 39.000 -0.393 0.000 0.968 419 F HN 0.120 nan 8.300 nan 0.000 0.478 420 K N -0.165 120.150 120.400 -0.141 0.000 2.052 420 K HA -0.318 4.039 4.320 0.062 0.000 0.215 420 K C 1.930 178.141 176.600 -0.649 0.000 1.053 420 K CA 2.453 58.375 56.287 -0.609 0.000 0.934 420 K CB -0.242 31.877 32.500 -0.636 0.000 0.717 420 K HN 0.325 nan 8.250 nan 0.000 0.450 421 E N -0.289 119.733 120.200 -0.296 0.000 2.046 421 E HA -0.094 4.293 4.350 0.062 0.000 0.190 421 E C 2.065 178.594 176.600 -0.119 0.000 0.982 421 E CA 1.138 57.458 56.400 -0.134 0.000 0.800 421 E CB 0.018 29.696 29.700 -0.037 0.000 0.756 421 E HN 0.240 nan 8.360 nan 0.000 0.449 422 R N -0.414 119.999 120.500 -0.146 0.000 2.081 422 R HA -0.112 4.265 4.340 0.062 0.000 0.235 422 R C 2.243 178.472 176.300 -0.118 0.000 1.131 422 R CA 1.360 57.393 56.100 -0.112 0.000 0.960 422 R CB -0.451 29.743 30.300 -0.178 0.000 0.856 422 R HN 0.202 nan 8.270 nan 0.000 0.436 423 F N 0.945 120.635 119.950 -0.434 0.000 2.102 423 F HA -0.225 4.339 4.527 0.062 0.000 0.298 423 F C 2.015 177.700 175.800 -0.192 0.000 1.105 423 F CA 1.784 59.547 58.000 -0.396 0.000 1.239 423 F CB -0.182 38.471 39.000 -0.579 0.000 0.991 423 F HN 0.080 nan 8.300 nan 0.000 0.474 424 H N -0.535 118.377 119.070 -0.263 0.000 2.321 424 H HA -0.092 4.500 4.556 0.061 0.000 0.300 424 H C 2.410 177.621 175.328 -0.195 0.000 1.087 424 H CA 0.771 56.626 56.048 -0.321 0.000 1.319 424 H CB -0.377 29.272 29.762 -0.189 0.000 1.379 424 H HN 0.400 nan 8.280 nan 0.000 0.501 425 A N 0.219 123.033 122.820 -0.010 0.000 1.883 425 A HA -0.245 4.112 4.320 0.062 0.000 0.217 425 A C 2.477 180.004 177.584 -0.095 0.000 1.186 425 A CA 2.000 54.020 52.037 -0.028 0.000 0.624 425 A CB -0.873 18.117 19.000 -0.017 0.000 0.822 425 A HN 0.384 nan 8.150 nan 0.000 0.444 426 S N -0.847 114.753 115.700 -0.165 0.000 2.355 426 S HA -0.110 4.397 4.470 0.062 0.000 0.222 426 S C 1.936 176.401 174.600 -0.225 0.000 1.031 426 S CA 1.430 59.489 58.200 -0.235 0.000 0.993 426 S CB -0.542 62.482 63.200 -0.293 0.000 0.859 426 S HN 0.305 nan 8.310 nan 0.000 0.453 427 V N 1.958 121.687 119.914 -0.309 0.000 2.324 427 V HA -0.224 3.933 4.120 0.062 0.000 0.250 427 V C 2.665 178.713 176.094 -0.077 0.000 1.060 427 V CA 2.283 64.448 62.300 -0.224 0.000 1.042 427 V CB -0.753 30.911 31.823 -0.265 0.000 0.650 427 V HN 0.406 nan 8.190 nan 0.000 0.450 428 R N -0.595 119.881 120.500 -0.040 0.000 2.081 428 R HA -0.091 4.286 4.340 0.062 0.000 0.235 428 R C 2.567 178.848 176.300 -0.033 0.000 1.131 428 R CA 1.383 57.480 56.100 -0.005 0.000 0.960 428 R CB -0.330 29.984 30.300 0.023 0.000 0.856 428 R HN 0.454 nan 8.270 nan 0.000 0.436 429 R N 0.188 120.652 120.500 -0.060 0.000 2.105 429 R HA -0.126 4.251 4.340 0.062 0.000 0.239 429 R C 1.875 178.137 176.300 -0.062 0.000 1.135 429 R CA 1.276 57.337 56.100 -0.065 0.000 0.967 429 R CB -0.250 29.996 30.300 -0.091 0.000 0.861 429 R HN 0.248 nan 8.270 nan 0.000 0.442 430 L N 0.013 121.193 121.223 -0.073 0.000 2.567 430 L HA 0.049 4.426 4.340 0.062 0.000 0.225 430 L C 0.697 177.539 176.870 -0.047 0.000 1.119 430 L CA 0.411 55.212 54.840 -0.066 0.000 0.871 430 L CB 0.254 42.262 42.059 -0.084 0.000 1.036 430 L HN 0.140 nan 8.230 nan 0.000 0.459 431 T N -2.034 112.498 114.554 -0.036 0.000 3.444 431 T HA 0.350 4.737 4.350 0.062 0.000 0.265 431 T C -2.492 172.195 174.700 -0.022 0.000 1.537 431 T CA -1.724 60.361 62.100 -0.026 0.000 1.530 431 T CB 0.228 69.086 68.868 -0.016 0.000 0.958 431 T HN -0.138 nan 8.240 nan 0.000 0.684 432 P HA 0.229 nan 4.420 nan 0.000 0.271 432 P C 0.381 177.670 177.300 -0.018 0.000 1.218 432 P CA 0.269 63.358 63.100 -0.019 0.000 0.780 432 P CB 0.951 32.639 31.700 -0.019 0.000 0.901 433 S N -0.761 114.929 115.700 -0.015 0.000 3.490 433 S HA -0.127 4.380 4.470 0.062 0.000 0.301 433 S C 0.093 174.682 174.600 -0.018 0.000 1.233 433 S CA 0.733 58.924 58.200 -0.015 0.000 0.914 433 S CB -1.744 61.448 63.200 -0.014 0.000 1.047 433 S HN 0.645 nan 8.310 nan 0.000 0.602 434 C N 1.605 120.893 119.300 -0.020 0.000 2.455 434 C HA 0.535 5.032 4.460 0.062 0.000 0.320 434 C C 0.193 175.166 174.990 -0.029 0.000 1.226 434 C CA -0.883 58.120 59.018 -0.026 0.000 1.569 434 C CB 1.619 29.341 27.740 -0.029 0.000 2.200 434 C HN 0.502 nan 8.230 nan 0.000 0.491 435 E N 2.458 122.636 120.200 -0.038 0.000 2.063 435 E HA 0.406 4.793 4.350 0.062 0.000 0.265 435 E C -0.981 175.570 176.600 -0.082 0.000 0.919 435 E CA 0.032 56.405 56.400 -0.044 0.000 0.756 435 E CB 0.943 30.621 29.700 -0.036 0.000 1.120 435 E HN 0.564 nan 8.360 nan 0.000 0.414 436 I N 2.565 123.068 120.570 -0.113 0.000 2.330 436 I HA 0.165 4.372 4.170 0.062 0.000 0.289 436 I C 0.152 176.066 176.117 -0.338 0.000 1.001 436 I CA -0.377 60.762 61.300 -0.268 0.000 1.193 436 I CB 1.505 39.292 38.000 -0.355 0.000 1.345 436 I HN 0.223 nan 8.210 nan 0.000 0.461 437 T N 6.319 120.681 114.554 -0.319 0.000 2.799 437 T HA 0.496 4.883 4.350 0.062 0.000 0.286 437 T C -0.458 174.039 174.700 -0.337 0.000 0.973 437 T CA -0.172 61.798 62.100 -0.217 0.000 1.035 437 T CB 0.435 69.247 68.868 -0.092 0.000 0.932 437 T HN 0.110 nan 8.240 nan 0.000 0.469 438 F N 2.880 122.837 119.950 0.011 0.000 2.427 438 F HA 0.591 5.155 4.527 0.060 0.000 0.346 438 F C 0.280 176.145 175.800 0.107 0.000 1.120 438 F CA -1.018 57.035 58.000 0.089 0.000 1.033 438 F CB 0.929 40.026 39.000 0.162 0.000 1.126 438 F HN 0.297 nan 8.300 nan 0.000 0.462 439 I N 2.449 123.170 120.570 0.252 0.000 2.509 439 I HA 0.303 4.510 4.170 0.062 0.000 0.293 439 I C -0.522 175.704 176.117 0.182 0.000 1.020 439 I CA -0.869 60.544 61.300 0.189 0.000 1.088 439 I CB 2.075 40.143 38.000 0.112 0.000 1.267 439 I HN 0.533 nan 8.210 nan 0.000 0.430 440 E N 3.891 124.206 120.200 0.191 0.000 2.229 440 E HA 0.225 4.612 4.350 0.062 0.000 0.283 440 E C -0.299 176.359 176.600 0.097 0.000 1.030 440 E CA -0.423 56.069 56.400 0.153 0.000 0.836 440 E CB 1.258 31.080 29.700 0.202 0.000 1.068 440 E HN 0.653 nan 8.360 nan 0.000 0.401 441 S N 2.670 118.406 115.700 0.060 0.000 2.576 441 S HA 0.062 4.569 4.470 0.062 0.000 0.276 441 S C 0.077 174.704 174.600 0.046 0.000 1.339 441 S CA -0.743 57.487 58.200 0.050 0.000 1.039 441 S CB 1.296 64.513 63.200 0.029 0.000 0.902 441 S HN 0.576 nan 8.310 nan 0.000 0.516 442 E N 1.155 121.382 120.200 0.045 0.000 2.113 442 E HA 0.094 4.481 4.350 0.062 0.000 0.273 442 E C -0.664 175.947 176.600 0.020 0.000 0.924 442 E CA -0.304 56.115 56.400 0.032 0.000 0.764 442 E CB 0.299 30.022 29.700 0.038 0.000 1.104 442 E HN 0.706 nan 8.360 nan 0.000 0.406 443 E N 2.543 122.744 120.200 0.001 0.000 2.269 443 E HA -0.227 4.160 4.350 0.062 0.000 0.223 443 E C 0.778 177.379 176.600 0.001 0.000 1.244 443 E CA 0.822 57.217 56.400 -0.009 0.000 0.713 443 E CB -1.756 27.937 29.700 -0.011 0.000 1.178 443 E HN 0.899 nan 8.360 nan 0.000 0.370 444 G N 1.061 109.862 108.800 0.002 0.000 2.491 444 G HA2 -0.375 3.622 3.960 0.062 0.000 0.218 444 G HA3 -0.375 3.622 3.960 0.062 0.000 0.218 444 G C 1.531 176.429 174.900 -0.003 0.000 1.180 444 G CA 1.628 46.731 45.100 0.004 0.000 0.774 444 G HN 0.559 nan 8.290 nan 0.000 0.562 445 S N 0.737 116.431 115.700 -0.011 0.000 2.355 445 S HA 0.075 4.582 4.470 0.062 0.000 0.222 445 S C 2.508 177.110 174.600 0.003 0.000 1.031 445 S CA 1.760 59.956 58.200 -0.007 0.000 0.993 445 S CB -0.854 62.341 63.200 -0.009 0.000 0.859 445 S HN 0.487 nan 8.310 nan 0.000 0.453 446 G N 1.667 110.465 108.800 -0.005 0.000 2.421 446 G HA2 -0.120 3.877 3.960 0.062 0.000 0.216 446 G HA3 -0.120 3.877 3.960 0.062 0.000 0.216 446 G C 1.775 176.676 174.900 0.002 0.000 1.171 446 G CA 0.543 45.642 45.100 -0.002 0.000 0.775 446 G HN 0.558 nan 8.290 nan 0.000 0.543 447 R N 0.092 120.592 120.500 0.001 0.000 2.073 447 R HA 0.024 4.401 4.340 0.062 0.000 0.229 447 R C 2.932 179.214 176.300 -0.029 0.000 1.120 447 R CA 0.857 56.953 56.100 -0.007 0.000 0.967 447 R CB -0.599 29.710 30.300 0.015 0.000 0.862 447 R HN 0.350 nan 8.270 nan 0.000 0.436 448 G N 1.184 109.974 108.800 -0.016 0.000 2.446 448 G HA2 -0.291 3.706 3.960 0.062 0.000 0.217 448 G HA3 -0.291 3.706 3.960 0.062 0.000 0.217 448 G C 1.591 176.466 174.900 -0.041 0.000 1.168 448 G CA 0.908 45.992 45.100 -0.027 0.000 0.771 448 G HN 0.398 nan 8.290 nan 0.000 0.551 449 A N 1.262 124.073 122.820 -0.015 0.000 1.883 449 A HA 0.212 4.569 4.320 0.062 0.000 0.217 449 A C 2.856 180.420 177.584 -0.033 0.000 1.186 449 A CA 2.473 54.516 52.037 0.009 0.000 0.624 449 A CB -0.943 18.096 19.000 0.065 0.000 0.822 449 A HN 0.883 nan 8.150 nan 0.000 0.444 450 A N -0.457 122.321 122.820 -0.069 0.000 1.908 450 A HA -0.087 4.270 4.320 0.062 0.000 0.218 450 A C 2.194 179.521 177.584 -0.429 0.000 1.181 450 A CA 1.653 53.562 52.037 -0.214 0.000 0.627 450 A CB -0.612 18.298 19.000 -0.151 0.000 0.818 450 A HN 0.479 nan 8.150 nan 0.000 0.445 451 L N -0.767 120.294 121.223 -0.271 0.000 2.056 451 L HA -0.127 4.250 4.340 0.062 0.000 0.207 451 L C 2.485 179.219 176.870 -0.226 0.000 1.078 451 L CA 0.902 55.583 54.840 -0.265 0.000 0.749 451 L CB -0.371 41.598 42.059 -0.150 0.000 0.901 451 L HN 0.242 nan 8.230 nan 0.000 0.433 452 V N -1.215 118.606 119.914 -0.154 0.000 2.427 452 V HA -0.233 3.924 4.120 0.062 0.000 0.248 452 V C 2.518 178.558 176.094 -0.089 0.000 1.051 452 V CA 1.758 63.993 62.300 -0.107 0.000 1.048 452 V CB -0.263 31.522 31.823 -0.063 0.000 0.666 452 V HN 0.369 nan 8.190 nan 0.000 0.456 453 S N 0.737 116.377 115.700 -0.099 0.000 2.353 453 S HA -0.219 4.288 4.470 0.062 0.000 0.222 453 S C 2.290 176.877 174.600 -0.022 0.000 1.035 453 S CA 1.547 59.742 58.200 -0.009 0.000 1.025 453 S CB -0.638 62.619 63.200 0.094 0.000 0.902 453 S HN 0.655 nan 8.310 nan 0.000 0.440 454 A N 0.967 123.601 122.820 -0.310 0.000 1.986 454 A HA -0.096 4.261 4.320 0.062 0.000 0.220 454 A C 2.314 179.865 177.584 -0.056 0.000 1.171 454 A CA 1.651 53.564 52.037 -0.206 0.000 0.640 454 A CB -0.865 17.844 19.000 -0.486 0.000 0.811 454 A HN 0.355 nan 8.150 nan 0.000 0.451 455 V N -0.572 119.290 119.914 -0.085 0.000 2.283 455 V HA -0.165 3.992 4.120 0.062 0.000 0.243 455 V C 3.027 179.112 176.094 -0.014 0.000 1.039 455 V CA 1.827 64.095 62.300 -0.053 0.000 1.016 455 V CB -1.130 30.647 31.823 -0.076 0.000 0.650 455 V HN 0.598 nan 8.190 nan 0.000 0.449 456 A N -1.593 121.225 122.820 -0.004 0.000 2.019 456 A HA -0.259 4.098 4.320 0.062 0.000 0.219 456 A C 1.993 179.601 177.584 0.040 0.000 1.164 456 A CA 1.528 53.575 52.037 0.017 0.000 0.644 456 A CB -1.180 17.835 19.000 0.026 0.000 0.805 456 A HN 0.577 nan 8.150 nan 0.000 0.449 457 C N 0.564 119.907 119.300 0.072 0.000 2.473 457 C HA 0.142 4.639 4.460 0.062 0.000 0.357 457 C C 0.835 175.858 174.990 0.056 0.000 1.448 457 C CA 0.298 59.375 59.018 0.098 0.000 1.468 457 C CB -2.456 25.398 27.740 0.190 0.000 1.537 457 C HN 0.311 nan 8.230 nan 0.000 0.608 458 K N 0.000 120.420 120.400 0.033 0.000 2.780 458 K HA 0.000 4.357 4.320 0.062 0.000 0.191 458 K CA 0.000 56.298 56.287 0.019 0.000 0.838 458 K CB 0.000 32.506 32.500 0.011 0.000 1.064 458 K HN 0.000 nan 8.250 nan 0.000 0.543