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 3d54_1_E DATA FIRST_RESID 2 DATA SEQUENCE KLRYLNILKE KLGREPTFVE LQAFSVMWSE HCGYSHTKKY IRRLPKTXXX DATA SEQUENCE GNAGVVNLDD YYSVAFKIES HNHPSAIEPY NGAATGVGGI IRDVLAMGAR DATA SEQUENCE PTAIFDSLHM SRIIDGIIEG IADYGNSIGV PTVGGELRIS SLYAHNPLVN DATA SEQUENCE VLAAGVVRND MLVDSKASRP GQVIVIFGGA TGRDGXXXXX XXXXXXXXXX DATA SEQUENCE XTKLSIQVGD PFAEKMLIEA FLEMVEEGLV EGAQDLGAGG VLSATSELVA DATA SEQUENCE KGNLGAIVHL DRVPLREPDM EPWEILISES QERMAVVTSP QKASRILEIA DATA SEQUENCE RKHLLFGDVV AEVIEEPVYR VMYRNDLVME VPVQLLANAP EEDIVEYTPG DATA SEQUENCE KIPEFKRVEF EEVNAREVFE QYDHMVGTDT VVPPGFGAAV MRIKRDGGYS DATA SEQUENCE LVTHSRADLA LQDTYWGTLI AVLESVRKTL SVGAEPLAIT NCVNYGDPDV DATA SEQUENCE DPVGLSAMMT ALKNACEFSG VPVASGNASL YNTYQGKPIP PTLVVGMLGK DATA SEQUENCE VNPQKVAKPK PSKVFAVGWN DFELEREKEL WRAIRKLSEE GAFILSSSQL DATA SEQUENCE LTRTHVETFR EYGLKIEVKL PEVRPAHQMV LVFSERTPVV DVPVKEIGTL DATA SEQUENCE SR 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.678 176.600 0.129 0.000 0.988 2 K CA 0.000 56.372 56.287 0.142 0.000 0.838 2 K CB 0.000 32.573 32.500 0.121 0.000 1.064 3 L N -0.574 120.756 121.223 0.178 0.000 2.781 3 L HA 0.487 4.828 4.340 0.001 0.000 0.245 3 L C 1.679 178.623 176.870 0.122 0.000 1.118 3 L CA 0.696 55.606 54.840 0.117 0.000 0.918 3 L CB 0.769 42.879 42.059 0.084 0.000 1.246 3 L HN 0.624 nan 8.230 nan 0.000 0.526 4 R N -2.904 117.707 120.500 0.184 0.000 2.599 4 R HA 0.093 4.434 4.340 0.001 0.000 0.248 4 R C 0.722 177.058 176.300 0.059 0.000 0.970 4 R CA 0.129 56.274 56.100 0.075 0.000 1.188 4 R CB 0.243 30.541 30.300 -0.004 0.000 1.736 4 R HN 0.228 nan 8.270 nan 0.000 0.504 5 Y N 0.710 121.056 120.300 0.077 0.000 2.578 5 Y HA -0.052 4.498 4.550 0.001 0.000 0.297 5 Y C 1.859 177.856 175.900 0.160 0.000 1.176 5 Y CA 0.368 58.541 58.100 0.121 0.000 1.315 5 Y CB 0.141 38.709 38.460 0.180 0.000 1.031 5 Y HN 0.068 nan 8.280 nan 0.000 0.524 6 L N 0.432 121.789 121.223 0.224 0.000 2.072 6 L HA -0.156 4.184 4.340 0.001 0.000 0.205 6 L C 1.815 178.730 176.870 0.075 0.000 1.079 6 L CA 1.796 56.710 54.840 0.123 0.000 0.752 6 L CB -0.572 41.534 42.059 0.078 0.000 0.906 6 L HN 0.158 nan 8.230 nan 0.000 0.436 7 N N 0.121 118.856 118.700 0.058 0.000 2.309 7 N HA -0.120 4.621 4.740 0.001 0.000 0.182 7 N C 1.621 177.150 175.510 0.032 0.000 1.018 7 N CA 1.442 54.508 53.050 0.027 0.000 0.876 7 N CB -0.009 38.482 38.487 0.008 0.000 0.972 7 N HN 0.397 nan 8.380 nan 0.000 0.434 8 I N 0.578 121.189 120.570 0.069 0.000 2.876 8 I HA -0.064 4.106 4.170 0.001 0.000 0.264 8 I C 2.123 178.326 176.117 0.143 0.000 1.204 8 I CA 0.475 61.827 61.300 0.088 0.000 1.485 8 I CB -0.786 37.261 38.000 0.078 0.000 1.103 8 I HN 0.068 nan 8.210 nan 0.000 0.446 9 L N 1.064 122.364 121.223 0.128 0.000 2.249 9 L HA 0.041 4.381 4.340 0.001 0.000 0.207 9 L C 2.283 179.101 176.870 -0.086 0.000 1.090 9 L CA 1.580 56.403 54.840 -0.029 0.000 0.802 9 L CB -0.458 41.473 42.059 -0.213 0.000 0.947 9 L HN -0.064 nan 8.230 nan 0.000 0.453 10 K N 0.129 120.503 120.400 -0.042 0.000 2.148 10 K HA -0.172 4.149 4.320 0.001 0.000 0.204 10 K C 1.775 178.360 176.600 -0.025 0.000 1.050 10 K CA 1.694 57.957 56.287 -0.040 0.000 0.942 10 K CB -0.044 32.444 32.500 -0.021 0.000 0.724 10 K HN 0.640 nan 8.250 nan 0.000 0.446 11 E N 0.042 120.238 120.200 -0.008 0.000 2.435 11 E HA -0.055 4.295 4.350 0.001 0.000 0.195 11 E C 1.188 177.789 176.600 0.002 0.000 1.029 11 E CA 0.580 56.979 56.400 -0.001 0.000 0.865 11 E CB 0.290 29.993 29.700 0.004 0.000 0.833 11 E HN -0.016 nan 8.360 nan 0.000 0.510 12 K N 0.310 120.709 120.400 -0.002 0.000 2.354 12 K HA 0.218 4.539 4.320 0.001 0.000 0.194 12 K C 1.678 178.267 176.600 -0.017 0.000 1.045 12 K CA 0.189 56.480 56.287 0.005 0.000 1.026 12 K CB 0.574 33.094 32.500 0.034 0.000 0.866 12 K HN 0.263 nan 8.250 nan 0.000 0.530 13 L N -0.787 120.410 121.223 -0.043 0.000 2.425 13 L HA 0.149 4.489 4.340 0.001 0.000 0.215 13 L C 1.141 177.998 176.870 -0.022 0.000 1.065 13 L CA 0.688 55.502 54.840 -0.044 0.000 0.842 13 L CB 0.062 42.071 42.059 -0.083 0.000 1.033 13 L HN 0.323 nan 8.230 nan 0.000 0.474 14 G N 1.438 110.226 108.800 -0.019 0.000 2.143 14 G HA2 -0.262 3.698 3.960 0.001 0.000 0.249 14 G HA3 -0.262 3.698 3.960 0.001 0.000 0.249 14 G C 0.312 175.206 174.900 -0.011 0.000 0.981 14 G CA 0.630 45.724 45.100 -0.010 0.000 0.665 14 G HN 0.507 nan 8.290 nan 0.000 0.528 15 R N -2.381 118.109 120.500 -0.017 0.000 3.034 15 R HA 0.713 5.053 4.340 0.001 0.000 0.264 15 R C -1.402 174.885 176.300 -0.021 0.000 1.030 15 R CA -1.120 54.971 56.100 -0.014 0.000 0.903 15 R CB 0.472 30.767 30.300 -0.009 0.000 1.414 15 R HN -0.005 nan 8.270 nan 0.000 0.429 16 E N 1.411 121.601 120.200 -0.016 0.000 2.266 16 E HA 0.409 4.759 4.350 0.001 0.000 0.277 16 E C -2.176 174.412 176.600 -0.020 0.000 1.018 16 E CA -1.776 54.613 56.400 -0.018 0.000 0.840 16 E CB 1.516 31.211 29.700 -0.008 0.000 1.082 16 E HN 0.307 nan 8.360 nan 0.000 0.395 17 P HA 0.106 nan 4.420 nan 0.000 0.278 17 P C -0.221 177.078 177.300 -0.002 0.000 1.238 17 P CA -0.295 62.788 63.100 -0.028 0.000 0.794 17 P CB 0.588 32.254 31.700 -0.057 0.000 0.955 18 T N -1.427 113.133 114.554 0.010 0.000 2.770 18 T HA 0.174 4.524 4.350 0.001 0.000 0.281 18 T C 0.739 175.460 174.700 0.035 0.000 0.981 18 T CA -0.246 61.874 62.100 0.035 0.000 0.955 18 T CB 0.058 68.950 68.868 0.039 0.000 1.060 18 T HN 0.171 nan 8.240 nan 0.000 0.531 19 F N 0.343 120.226 119.950 -0.112 0.000 2.502 19 F HA 0.093 4.620 4.527 0.001 0.000 0.298 19 F C 1.959 177.614 175.800 -0.240 0.000 1.111 19 F CA 0.474 58.351 58.000 -0.204 0.000 1.445 19 F CB -0.487 38.356 39.000 -0.260 0.000 1.081 19 F HN 0.354 nan 8.300 nan 0.000 0.558 20 V N -0.379 119.447 119.914 -0.148 0.000 2.488 20 V HA -0.175 3.946 4.120 0.001 0.000 0.246 20 V C 2.006 178.027 176.094 -0.121 0.000 1.046 20 V CA 1.845 64.070 62.300 -0.126 0.000 1.053 20 V CB -0.670 31.164 31.823 0.019 0.000 0.679 20 V HN 0.243 nan 8.190 nan 0.000 0.458 21 E N 0.309 120.474 120.200 -0.058 0.000 2.112 21 E HA -0.087 4.263 4.350 0.001 0.000 0.190 21 E C 2.160 178.777 176.600 0.029 0.000 0.979 21 E CA 0.820 57.246 56.400 0.043 0.000 0.814 21 E CB -0.085 29.672 29.700 0.094 0.000 0.762 21 E HN 0.469 nan 8.360 nan 0.000 0.460 22 L N 1.076 122.234 121.223 -0.109 0.000 2.083 22 L HA -0.203 4.138 4.340 0.001 0.000 0.209 22 L C 2.234 178.982 176.870 -0.204 0.000 1.083 22 L CA 1.227 55.983 54.840 -0.141 0.000 0.752 22 L CB 0.111 42.062 42.059 -0.180 0.000 0.899 22 L HN 0.055 nan 8.230 nan 0.000 0.433 23 Q N -0.736 118.843 119.800 -0.369 0.000 2.269 23 Q HA 0.014 4.354 4.340 0.001 0.000 0.201 23 Q C 2.208 178.109 176.000 -0.165 0.000 0.946 23 Q CA 1.166 56.767 55.803 -0.337 0.000 0.877 23 Q CB -0.084 28.316 28.738 -0.563 0.000 0.963 23 Q HN 0.638 nan 8.270 nan 0.000 0.472 24 A N -0.234 122.490 122.820 -0.160 0.000 1.872 24 A HA -0.058 4.263 4.320 0.001 0.000 0.214 24 A C 1.609 179.006 177.584 -0.311 0.000 1.187 24 A CA 0.824 52.730 52.037 -0.218 0.000 0.614 24 A CB -0.626 18.203 19.000 -0.285 0.000 0.826 24 A HN 0.273 nan 8.150 nan 0.000 0.442 25 F N -0.562 119.249 119.950 -0.231 0.000 2.811 25 F HA 0.088 4.615 4.527 0.001 0.000 0.301 25 F C 2.468 178.172 175.800 -0.160 0.000 1.151 25 F CA 0.797 58.602 58.000 -0.327 0.000 1.412 25 F CB 0.252 38.928 39.000 -0.541 0.000 1.113 25 F HN 0.223 nan 8.300 nan 0.000 0.579 26 S N -0.854 114.858 115.700 0.020 0.000 2.496 26 S HA 0.009 4.480 4.470 0.001 0.000 0.224 26 S C 1.752 176.349 174.600 -0.005 0.000 0.996 26 S CA 0.589 58.796 58.200 0.011 0.000 0.927 26 S CB 0.046 63.223 63.200 -0.039 0.000 0.774 26 S HN 0.112 nan 8.310 nan 0.000 0.524 27 V N 0.899 120.798 119.914 -0.024 0.000 3.212 27 V HA 0.205 4.325 4.120 0.001 0.000 0.244 27 V C 2.064 178.152 176.094 -0.011 0.000 1.151 27 V CA 0.387 62.670 62.300 -0.029 0.000 1.119 27 V CB 0.010 31.810 31.823 -0.038 0.000 0.838 27 V HN 0.386 nan 8.190 nan 0.000 0.470 28 M N -1.308 118.274 119.600 -0.030 0.000 2.288 28 M HA 0.030 4.510 4.480 0.001 0.000 0.266 28 M C 1.049 177.509 176.300 0.267 0.000 1.072 28 M CA 1.100 56.407 55.300 0.012 0.000 1.132 28 M CB -0.579 31.898 32.600 -0.204 0.000 1.386 28 M HN 0.462 nan 8.290 nan 0.000 0.432 29 W N 1.312 122.604 121.300 -0.013 0.000 2.937 29 W HA 0.281 4.941 4.660 0.001 0.000 0.435 29 W C 0.993 177.406 176.519 -0.176 0.000 0.912 29 W CA -1.114 56.201 57.345 -0.050 0.000 2.209 29 W CB -0.854 28.620 29.460 0.024 0.000 1.144 29 W HN 0.083 nan 8.180 nan 0.000 0.762 30 S N -0.858 114.867 115.700 0.041 0.000 2.671 30 S HA 0.243 4.714 4.470 0.001 0.000 0.272 30 S C 0.942 175.493 174.600 -0.082 0.000 1.174 30 S CA -0.215 57.949 58.200 -0.059 0.000 1.004 30 S CB 1.694 64.863 63.200 -0.052 0.000 1.077 30 S HN 0.011 nan 8.310 nan 0.000 0.553 31 E N -0.996 119.162 120.200 -0.070 0.000 2.489 31 E HA 0.103 4.453 4.350 0.001 0.000 0.193 31 E C 1.292 177.801 176.600 -0.152 0.000 1.057 31 E CA 0.649 57.027 56.400 -0.036 0.000 0.866 31 E CB -0.335 29.444 29.700 0.131 0.000 0.916 31 E HN 0.823 nan 8.360 nan 0.000 0.500 32 H N -1.138 117.778 119.070 -0.258 0.000 2.287 32 H HA 0.050 4.606 4.556 0.001 0.000 0.309 32 H C 1.251 176.314 175.328 -0.440 0.000 1.059 32 H CA 1.978 57.829 56.048 -0.327 0.000 1.357 32 H CB 0.079 29.679 29.762 -0.270 0.000 1.409 32 H HN 0.315 nan 8.280 nan 0.000 0.515 33 C N -0.153 119.008 119.300 -0.231 0.000 2.469 33 C HA 0.721 5.182 4.460 0.001 0.000 0.298 33 C C 1.670 176.610 174.990 -0.084 0.000 1.436 33 C CA 0.043 58.941 59.018 -0.200 0.000 1.783 33 C CB -0.370 27.344 27.740 -0.043 0.000 2.726 33 C HN 0.577 nan 8.230 nan 0.000 0.541 34 G N -1.259 107.448 108.800 -0.154 0.000 2.826 34 G HA2 0.304 4.264 3.960 0.001 0.000 0.197 34 G HA3 0.304 4.264 3.960 0.001 0.000 0.197 34 G C 0.147 175.098 174.900 0.086 0.000 1.072 34 G CA -0.175 44.927 45.100 0.002 0.000 0.733 34 G HN 0.542 nan 8.290 nan 0.000 0.674 35 Y N 1.165 121.473 120.300 0.013 0.000 2.973 35 Y HA -0.229 4.321 4.550 0.000 0.000 0.153 35 Y C 1.761 177.688 175.900 0.044 0.000 1.748 35 Y CA 0.107 58.228 58.100 0.035 0.000 0.920 35 Y CB -1.790 36.677 38.460 0.012 0.000 1.478 35 Y HN 0.193 nan 8.280 nan 0.000 0.366 36 S N -0.858 114.962 115.700 0.201 0.000 2.404 36 S HA -0.077 4.393 4.470 0.001 0.000 0.223 36 S C 0.951 175.633 174.600 0.136 0.000 1.040 36 S CA 0.979 59.261 58.200 0.137 0.000 0.957 36 S CB -0.025 63.266 63.200 0.152 0.000 0.826 36 S HN 0.673 nan 8.310 nan 0.000 0.491 37 H N 0.978 120.155 119.070 0.178 0.000 2.538 37 H HA 0.237 4.793 4.556 0.001 0.000 0.286 37 H C 1.235 176.728 175.328 0.275 0.000 1.035 37 H CA 1.000 57.169 56.048 0.202 0.000 1.169 37 H CB 0.086 29.948 29.762 0.167 0.000 1.417 37 H HN 0.402 nan 8.280 nan 0.000 0.567 38 T N -4.135 110.629 114.554 0.351 0.000 3.029 38 T HA 0.080 4.430 4.350 0.001 0.000 0.256 38 T C 1.648 176.485 174.700 0.228 0.000 0.914 38 T CA -0.397 61.907 62.100 0.340 0.000 0.880 38 T CB 0.424 69.438 68.868 0.245 0.000 1.246 38 T HN 0.008 nan 8.240 nan 0.000 0.523 39 K N 1.661 122.147 120.400 0.142 0.000 2.074 39 K HA -0.071 4.249 4.320 0.001 0.000 0.209 39 K C 2.246 178.852 176.600 0.010 0.000 1.048 39 K CA 1.452 57.762 56.287 0.037 0.000 0.926 39 K CB -0.052 32.469 32.500 0.035 0.000 0.713 39 K HN 0.235 nan 8.250 nan 0.000 0.444 40 K N -0.708 119.684 120.400 -0.014 0.000 2.155 40 K HA -0.107 4.213 4.320 0.001 0.000 0.203 40 K C 1.805 178.359 176.600 -0.078 0.000 1.052 40 K CA 1.152 57.379 56.287 -0.099 0.000 0.948 40 K CB 0.056 32.431 32.500 -0.208 0.000 0.728 40 K HN 0.156 nan 8.250 nan 0.000 0.448 41 Y N 0.151 120.431 120.300 -0.034 0.000 2.314 41 Y HA -0.056 4.494 4.550 0.001 0.000 0.293 41 Y C 1.873 177.741 175.900 -0.053 0.000 1.129 41 Y CA 0.705 58.782 58.100 -0.038 0.000 1.201 41 Y CB -0.011 38.424 38.460 -0.041 0.000 0.999 41 Y HN -0.009 nan 8.280 nan 0.000 0.541 42 I N -0.198 120.437 120.570 0.108 0.000 2.756 42 I HA -0.237 3.933 4.170 0.001 0.000 0.262 42 I C 2.003 178.108 176.117 -0.021 0.000 1.225 42 I CA 1.052 62.350 61.300 -0.003 0.000 1.472 42 I CB -0.098 37.848 38.000 -0.090 0.000 1.094 42 I HN 0.199 nan 8.210 nan 0.000 0.454 43 R N -0.139 120.356 120.500 -0.009 0.000 2.210 43 R HA 0.049 4.389 4.340 0.001 0.000 0.203 43 R C 2.058 178.354 176.300 -0.006 0.000 1.010 43 R CA 0.332 56.421 56.100 -0.018 0.000 1.008 43 R CB -0.039 30.246 30.300 -0.025 0.000 0.923 43 R HN 0.304 nan 8.270 nan 0.000 0.469 44 R N 0.529 121.036 120.500 0.011 0.000 2.236 44 R HA 0.106 4.446 4.340 0.001 0.000 0.208 44 R C 0.334 176.647 176.300 0.022 0.000 1.036 44 R CA 0.365 56.477 56.100 0.020 0.000 1.001 44 R CB 0.040 30.364 30.300 0.040 0.000 0.896 44 R HN 0.046 nan 8.270 nan 0.000 0.464 45 L N 3.311 124.542 121.223 0.014 0.000 2.331 45 L HA 0.258 4.598 4.340 0.001 0.000 0.278 45 L C -1.964 174.906 176.870 -0.000 0.000 1.106 45 L CA -2.119 52.724 54.840 0.005 0.000 0.824 45 L CB 0.427 42.478 42.059 -0.013 0.000 1.142 45 L HN -0.162 nan 8.230 nan 0.000 0.443 46 P HA 0.140 nan 4.420 nan 0.000 0.271 46 P C -0.812 176.489 177.300 0.002 0.000 1.233 46 P CA 0.009 63.115 63.100 0.010 0.000 0.764 46 P CB 0.851 32.564 31.700 0.022 0.000 0.825 47 K N 1.501 121.899 120.400 -0.003 0.000 2.416 47 K HA 0.484 4.804 4.320 0.001 0.000 0.244 47 K C 0.878 177.480 176.600 0.003 0.000 1.044 47 K CA -0.604 55.678 56.287 -0.009 0.000 0.972 47 K CB 0.633 33.121 32.500 -0.021 0.000 1.286 47 K HN 0.398 nan 8.250 nan 0.000 0.500 53 N N 0.276 118.982 118.700 0.009 0.000 2.296 53 N HA 0.599 5.340 4.740 0.001 0.000 0.294 53 N C -0.338 175.172 175.510 0.000 0.000 1.033 53 N CA -0.564 52.491 53.050 0.008 0.000 0.839 53 N CB 2.193 40.690 38.487 0.016 0.000 1.395 53 N HN 0.310 nan 8.380 nan 0.000 0.479 54 A N 1.398 124.211 122.820 -0.012 0.000 2.294 54 A HA 0.622 4.942 4.320 0.001 0.000 0.316 54 A C 0.964 178.522 177.584 -0.043 0.000 1.359 54 A CA 0.096 52.113 52.037 -0.032 0.000 0.956 54 A CB -0.280 18.692 19.000 -0.047 0.000 1.155 54 A HN 0.910 nan 8.150 nan 0.000 0.544 55 G N 1.205 109.981 108.800 -0.041 0.000 2.672 55 G HA2 0.037 3.998 3.960 0.001 0.000 0.197 55 G HA3 0.037 3.998 3.960 0.001 0.000 0.197 55 G C -0.134 174.788 174.900 0.037 0.000 0.995 55 G CA 0.160 45.229 45.100 -0.051 0.000 0.754 55 G HN 1.291 nan 8.290 nan 0.000 0.505 56 V N 0.875 120.821 119.914 0.054 0.000 2.628 56 V HA 0.864 4.984 4.120 0.001 0.000 0.306 56 V C -0.062 176.080 176.094 0.081 0.000 1.045 56 V CA -1.014 61.332 62.300 0.075 0.000 0.905 56 V CB 2.019 33.867 31.823 0.042 0.000 0.997 56 V HN 0.297 nan 8.190 nan 0.000 0.436 57 V N 2.326 122.283 119.914 0.070 0.000 2.709 57 V HA 0.420 4.541 4.120 0.001 0.000 0.308 57 V C -0.343 175.757 176.094 0.009 0.000 1.062 57 V CA -0.872 61.454 62.300 0.044 0.000 0.901 57 V CB 2.030 33.876 31.823 0.038 0.000 1.003 57 V HN 0.919 nan 8.190 nan 0.000 0.425 58 N N 1.867 120.578 118.700 0.017 0.000 2.470 58 N HA 0.373 5.113 4.740 0.001 0.000 0.268 58 N C 0.358 175.879 175.510 0.019 0.000 1.136 58 N CA -0.256 52.808 53.050 0.023 0.000 0.961 58 N CB 1.457 39.962 38.487 0.029 0.000 1.067 58 N HN 0.710 nan 8.380 nan 0.000 0.468 59 L N 1.919 123.162 121.223 0.033 0.000 2.435 59 L HA 0.342 4.682 4.340 0.001 0.000 0.195 59 L C 0.637 177.554 176.870 0.079 0.000 1.072 59 L CA 1.168 56.032 54.840 0.040 0.000 0.833 59 L CB 0.392 42.468 42.059 0.028 0.000 1.081 59 L HN 0.518 nan 8.230 nan 0.000 0.485 60 D N -1.098 119.377 120.400 0.125 0.000 2.540 60 D HA 0.094 4.735 4.640 0.001 0.000 0.229 60 D C -0.204 176.189 176.300 0.154 0.000 1.250 60 D CA 0.353 54.448 54.000 0.158 0.000 0.817 60 D CB 0.724 41.672 40.800 0.246 0.000 1.060 60 D HN 0.243 nan 8.370 nan 0.000 0.508 61 D N -0.427 120.041 120.400 0.113 0.000 2.614 61 D HA -0.290 4.350 4.640 0.001 0.000 0.182 61 D C 0.915 177.284 176.300 0.115 0.000 1.067 61 D CA 1.018 55.070 54.000 0.087 0.000 1.053 61 D CB -0.843 39.995 40.800 0.063 0.000 1.117 61 D HN 0.377 nan 8.370 nan 0.000 0.438 62 Y N -0.059 120.218 120.300 -0.038 0.000 2.314 62 Y HA 0.212 4.763 4.550 0.001 0.000 0.294 62 Y C 0.506 176.248 175.900 -0.264 0.000 1.139 62 Y CA 0.931 58.934 58.100 -0.162 0.000 1.162 62 Y CB 0.152 38.536 38.460 -0.128 0.000 1.121 62 Y HN -0.051 nan 8.280 nan 0.000 0.529 63 Y N -0.227 120.072 120.300 -0.003 0.000 2.621 63 Y HA 0.532 5.082 4.550 0.001 0.000 0.334 63 Y C -0.191 175.677 175.900 -0.053 0.000 1.074 63 Y CA -0.856 57.182 58.100 -0.103 0.000 1.149 63 Y CB 1.918 40.283 38.460 -0.158 0.000 1.302 63 Y HN -0.083 nan 8.280 nan 0.000 0.501 64 S N -0.365 115.417 115.700 0.137 0.000 2.566 64 S HA 0.650 5.120 4.470 0.001 0.000 0.273 64 S C -1.835 172.735 174.600 -0.050 0.000 1.157 64 S CA -0.915 57.302 58.200 0.028 0.000 0.938 64 S CB 0.727 63.945 63.200 0.029 0.000 1.087 64 S HN 0.348 nan 8.310 nan 0.000 0.474 65 V N 2.055 121.883 119.914 -0.143 0.000 2.465 65 V HA 0.785 4.905 4.120 0.001 0.000 0.279 65 V C 0.558 176.589 176.094 -0.104 0.000 1.045 65 V CA -0.274 61.864 62.300 -0.269 0.000 0.938 65 V CB 1.128 32.630 31.823 -0.535 0.000 0.986 65 V HN 1.210 nan 8.190 nan 0.000 0.467 66 A N 6.029 128.818 122.820 -0.052 0.000 2.303 66 A HA 0.935 5.255 4.320 0.001 0.000 0.320 66 A C -0.865 176.833 177.584 0.189 0.000 1.192 66 A CA -0.385 51.701 52.037 0.082 0.000 0.821 66 A CB 0.608 19.629 19.000 0.035 0.000 1.188 66 A HN 1.042 nan 8.150 nan 0.000 0.492 67 F N 0.565 120.465 119.950 -0.085 0.000 2.631 67 F HA 0.892 5.419 4.527 0.000 0.000 0.308 67 F C -0.950 174.813 175.800 -0.062 0.000 1.097 67 F CA -1.588 56.366 58.000 -0.076 0.000 0.952 67 F CB 1.277 40.222 39.000 -0.092 0.000 1.307 67 F HN 0.638 nan 8.300 nan 0.000 0.450 68 K N 2.517 122.806 120.400 -0.185 0.000 2.579 68 K HA 0.769 5.089 4.320 0.001 0.000 0.284 68 K C -2.357 174.155 176.600 -0.147 0.000 0.990 68 K CA -0.865 55.258 56.287 -0.273 0.000 0.880 68 K CB 3.040 35.445 32.500 -0.158 0.000 1.488 68 K HN 0.963 nan 8.250 nan 0.000 0.425 69 I N 1.356 121.844 120.570 -0.137 0.000 2.533 69 I HA 0.411 4.581 4.170 0.001 0.000 0.290 69 I C -1.311 174.794 176.117 -0.021 0.000 1.056 69 I CA -0.293 60.972 61.300 -0.057 0.000 1.057 69 I CB 1.889 39.853 38.000 -0.059 0.000 1.240 69 I HN 0.764 nan 8.210 nan 0.000 0.423 70 E N 3.922 124.138 120.200 0.026 0.000 2.320 70 E HA 0.593 4.943 4.350 0.001 0.000 0.264 70 E C -1.346 175.321 176.600 0.112 0.000 0.923 70 E CA -0.808 55.637 56.400 0.074 0.000 0.796 70 E CB 1.998 31.772 29.700 0.123 0.000 1.262 70 E HN 0.580 nan 8.360 nan 0.000 0.428 71 S N 1.416 117.195 115.700 0.130 0.000 2.596 71 S HA 0.385 4.855 4.470 0.001 0.000 0.318 71 S C -0.814 173.853 174.600 0.111 0.000 1.097 71 S CA -0.793 57.474 58.200 0.111 0.000 1.080 71 S CB 0.759 63.999 63.200 0.066 0.000 0.991 71 S HN 0.525 nan 8.310 nan 0.000 0.471 72 H N 3.631 122.722 119.070 0.035 0.000 2.340 72 H HA 0.330 4.886 4.556 0.000 0.000 0.233 72 H C -0.050 175.235 175.328 -0.072 0.000 1.435 72 H CA -0.523 55.543 56.048 0.031 0.000 1.389 72 H CB 0.531 30.298 29.762 0.009 0.000 1.491 72 H HN 0.671 nan 8.280 nan 0.000 0.518 73 N N 0.263 118.825 118.700 -0.231 0.000 2.387 73 N HA -0.079 4.661 4.740 0.001 0.000 0.176 73 N C 1.567 176.929 175.510 -0.247 0.000 1.022 73 N CA 0.468 53.356 53.050 -0.270 0.000 0.883 73 N CB 0.204 38.468 38.487 -0.373 0.000 1.019 73 N HN 0.633 nan 8.380 nan 0.000 0.435 74 H N 1.659 120.726 119.070 -0.006 0.000 2.299 74 H HA 0.028 4.585 4.556 0.001 0.000 0.302 74 H C -0.698 174.624 175.328 -0.010 0.000 1.078 74 H CA 1.023 57.058 56.048 -0.023 0.000 1.323 74 H CB -1.678 28.033 29.762 -0.085 0.000 1.381 74 H HN 0.269 nan 8.280 nan 0.000 0.498 75 P HA 0.036 nan 4.420 nan 0.000 0.229 75 P C 1.288 178.629 177.300 0.068 0.000 1.160 75 P CA 0.852 64.008 63.100 0.093 0.000 0.777 75 P CB 0.127 31.904 31.700 0.127 0.000 0.814 76 S N -0.225 115.508 115.700 0.054 0.000 2.489 76 S HA 0.116 4.587 4.470 0.001 0.000 0.228 76 S C 2.030 176.647 174.600 0.028 0.000 0.995 76 S CA 0.742 58.962 58.200 0.033 0.000 0.934 76 S CB -0.443 62.768 63.200 0.018 0.000 0.771 76 S HN 0.180 nan 8.310 nan 0.000 0.522 77 A N 2.238 125.078 122.820 0.032 0.000 1.854 77 A HA -0.025 4.296 4.320 0.001 0.000 0.214 77 A C 2.037 179.645 177.584 0.040 0.000 1.192 77 A CA 1.336 53.394 52.037 0.034 0.000 0.611 77 A CB -0.703 18.327 19.000 0.050 0.000 0.832 77 A HN 0.573 nan 8.150 nan 0.000 0.442 78 I N -2.348 118.252 120.570 0.049 0.000 2.193 78 I HA 0.023 4.194 4.170 0.001 0.000 0.240 78 I C 0.903 177.048 176.117 0.048 0.000 1.084 78 I CA 1.390 62.720 61.300 0.049 0.000 1.365 78 I CB -0.242 37.788 38.000 0.050 0.000 1.064 78 I HN 0.246 nan 8.210 nan 0.000 0.410 79 E N 0.892 121.124 120.200 0.053 0.000 2.244 79 E HA 0.337 4.687 4.350 0.001 0.000 0.260 79 E C -2.232 174.408 176.600 0.067 0.000 0.884 79 E CA -2.703 53.735 56.400 0.064 0.000 0.777 79 E CB 1.851 31.595 29.700 0.074 0.000 1.197 79 E HN -0.126 nan 8.360 nan 0.000 0.416 80 P HA -0.115 nan 4.420 nan 0.000 0.213 80 P C 0.773 178.133 177.300 0.099 0.000 1.170 80 P CA 0.969 64.113 63.100 0.074 0.000 0.893 80 P CB -0.115 31.629 31.700 0.072 0.000 0.784 81 Y N 1.282 121.596 120.300 0.023 0.000 2.034 81 Y HA -0.217 4.333 4.550 0.001 0.000 0.269 81 Y C 1.819 177.738 175.900 0.031 0.000 1.125 81 Y CA 1.808 59.927 58.100 0.032 0.000 1.097 81 Y CB -1.329 37.152 38.460 0.035 0.000 0.978 81 Y HN -0.121 nan 8.280 nan 0.000 0.480 82 N N 0.379 119.112 118.700 0.055 0.000 2.635 82 N HA -0.101 4.639 4.740 0.001 0.000 0.191 82 N C 1.521 176.986 175.510 -0.076 0.000 1.155 82 N CA 0.909 53.927 53.050 -0.053 0.000 0.927 82 N CB -0.266 38.286 38.487 0.109 0.000 0.976 82 N HN 0.626 nan 8.380 nan 0.000 0.448 83 G N 0.502 109.269 108.800 -0.056 0.000 2.497 83 G HA2 0.080 4.040 3.960 0.001 0.000 0.210 83 G HA3 0.080 4.040 3.960 0.001 0.000 0.210 83 G C 1.567 176.412 174.900 -0.093 0.000 1.177 83 G CA 0.593 45.674 45.100 -0.032 0.000 0.822 83 G HN 0.327 nan 8.290 nan 0.000 0.550 84 A N 1.066 123.819 122.820 -0.113 0.000 1.968 84 A HA 0.431 4.751 4.320 0.001 0.000 0.217 84 A C 2.698 180.124 177.584 -0.263 0.000 1.169 84 A CA 1.881 53.834 52.037 -0.141 0.000 0.638 84 A CB -0.568 18.383 19.000 -0.082 0.000 0.812 84 A HN 0.653 nan 8.150 nan 0.000 0.446 85 A N -0.776 121.848 122.820 -0.327 0.000 1.877 85 A HA -0.106 4.214 4.320 0.001 0.000 0.216 85 A C 2.296 179.524 177.584 -0.594 0.000 1.186 85 A CA 2.304 54.096 52.037 -0.408 0.000 0.620 85 A CB -1.328 17.413 19.000 -0.433 0.000 0.822 85 A HN 0.386 nan 8.150 nan 0.000 0.443 86 T N -0.215 114.095 114.554 -0.406 0.000 2.759 86 T HA -0.060 4.291 4.350 0.001 0.000 0.269 86 T C 1.914 176.256 174.700 -0.598 0.000 1.042 86 T CA 1.480 63.340 62.100 -0.399 0.000 1.140 86 T CB -0.594 68.149 68.868 -0.208 0.000 0.864 86 T HN 0.613 nan 8.240 nan 0.000 0.455 87 G N 0.970 109.411 108.800 -0.598 0.000 2.418 87 G HA2 -0.176 3.784 3.960 0.001 0.000 0.217 87 G HA3 -0.176 3.784 3.960 0.001 0.000 0.217 87 G C 1.660 176.263 174.900 -0.494 0.000 1.158 87 G CA 0.963 45.663 45.100 -0.667 0.000 0.771 87 G HN 0.465 nan 8.290 nan 0.000 0.545 88 V N 1.492 121.098 119.914 -0.513 0.000 2.515 88 V HA -0.023 4.098 4.120 0.001 0.000 0.250 88 V C 3.066 178.871 176.094 -0.482 0.000 1.058 88 V CA 1.711 63.748 62.300 -0.439 0.000 1.064 88 V CB -0.931 30.649 31.823 -0.406 0.000 0.675 88 V HN 0.428 nan 8.190 nan 0.000 0.461 89 G N 0.607 108.951 108.800 -0.760 0.000 2.433 89 G HA2 -0.145 3.816 3.960 0.001 0.000 0.216 89 G HA3 -0.145 3.816 3.960 0.001 0.000 0.216 89 G C 1.631 176.394 174.900 -0.228 0.000 1.186 89 G CA 0.858 45.685 45.100 -0.455 0.000 0.779 89 G HN 0.570 nan 8.290 nan 0.000 0.543 90 G N 0.311 108.955 108.800 -0.261 0.000 2.471 90 G HA2 -0.067 3.894 3.960 0.001 0.000 0.219 90 G HA3 -0.067 3.894 3.960 0.001 0.000 0.219 90 G C 1.620 176.467 174.900 -0.088 0.000 1.125 90 G CA 0.907 45.925 45.100 -0.138 0.000 0.775 90 G HN 0.396 nan 8.290 nan 0.000 0.548 91 I N 0.260 120.762 120.570 -0.114 0.000 2.867 91 I HA 0.199 4.370 4.170 0.001 0.000 0.265 91 I C 2.142 178.221 176.117 -0.063 0.000 1.162 91 I CA -0.032 61.229 61.300 -0.065 0.000 1.471 91 I CB 0.029 37.999 38.000 -0.050 0.000 1.123 91 I HN -0.017 nan 8.210 nan 0.000 0.440 92 I N 0.615 121.140 120.570 -0.075 0.000 2.315 92 I HA -0.205 3.965 4.170 0.001 0.000 0.248 92 I C 2.445 178.512 176.117 -0.084 0.000 1.117 92 I CA 1.278 62.547 61.300 -0.051 0.000 1.404 92 I CB -0.978 37.016 38.000 -0.011 0.000 1.071 92 I HN 0.285 nan 8.210 nan 0.000 0.419 93 R N 0.132 120.569 120.500 -0.104 0.000 2.090 93 R HA -0.136 4.204 4.340 0.001 0.000 0.228 93 R C 1.711 177.917 176.300 -0.157 0.000 1.110 93 R CA 0.978 56.984 56.100 -0.157 0.000 0.973 93 R CB -0.230 29.982 30.300 -0.146 0.000 0.869 93 R HN 0.241 nan 8.270 nan 0.000 0.440 94 D N 0.166 120.506 120.400 -0.100 0.000 2.350 94 D HA -0.064 4.577 4.640 0.001 0.000 0.216 94 D C 1.454 177.708 176.300 -0.075 0.000 0.968 94 D CA 0.595 54.549 54.000 -0.077 0.000 0.894 94 D CB 0.437 41.209 40.800 -0.047 0.000 0.909 94 D HN -0.004 nan 8.370 nan 0.000 0.520 95 V N 0.178 120.044 119.914 -0.080 0.000 2.795 95 V HA -0.053 4.068 4.120 0.001 0.000 0.243 95 V C 2.220 178.262 176.094 -0.086 0.000 1.069 95 V CA 0.370 62.637 62.300 -0.056 0.000 1.089 95 V CB 0.108 31.916 31.823 -0.025 0.000 0.756 95 V HN 0.137 nan 8.190 nan 0.000 0.471 96 L N 1.375 122.499 121.223 -0.164 0.000 2.201 96 L HA 0.047 4.388 4.340 0.001 0.000 0.212 96 L C 2.339 178.948 176.870 -0.435 0.000 1.105 96 L CA 2.059 56.730 54.840 -0.282 0.000 0.775 96 L CB -0.677 41.146 42.059 -0.395 0.000 0.913 96 L HN 0.230 nan 8.230 nan 0.000 0.440 97 A N -1.244 121.368 122.820 -0.346 0.000 2.178 97 A HA -0.152 4.169 4.320 0.001 0.000 0.218 97 A C 1.981 179.589 177.584 0.040 0.000 1.157 97 A CA 1.691 53.609 52.037 -0.198 0.000 0.689 97 A CB -0.551 18.388 19.000 -0.102 0.000 0.787 97 A HN 0.496 nan 8.150 nan 0.000 0.465 98 M N -1.659 117.957 119.600 0.026 0.000 2.371 98 M HA 0.269 4.750 4.480 0.001 0.000 0.246 98 M C 1.184 177.559 176.300 0.125 0.000 1.103 98 M CA 0.992 56.337 55.300 0.075 0.000 1.010 98 M CB 0.558 33.179 32.600 0.035 0.000 1.457 98 M HN 0.601 nan 8.290 nan 0.000 0.486 99 G N 0.111 109.034 108.800 0.204 0.000 2.136 99 G HA2 -0.124 3.837 3.960 0.001 0.000 0.242 99 G HA3 -0.124 3.837 3.960 0.001 0.000 0.242 99 G C 0.095 175.083 174.900 0.147 0.000 0.989 99 G CA 0.083 45.340 45.100 0.261 0.000 0.682 99 G HN 0.753 nan 8.290 nan 0.000 0.522 100 A N -0.340 122.531 122.820 0.084 0.000 2.312 100 A HA 0.844 5.164 4.320 0.001 0.000 0.328 100 A C 0.510 178.115 177.584 0.036 0.000 1.158 100 A CA -0.093 51.972 52.037 0.047 0.000 0.821 100 A CB 0.716 19.724 19.000 0.014 0.000 1.170 100 A HN 0.779 nan 8.150 nan 0.000 0.490 101 R N 2.172 122.692 120.500 0.033 0.000 2.267 101 R HA 0.335 4.675 4.340 0.001 0.000 0.319 101 R C -2.639 173.671 176.300 0.017 0.000 1.067 101 R CA -1.527 54.590 56.100 0.029 0.000 0.936 101 R CB 0.309 30.629 30.300 0.033 0.000 1.006 101 R HN 0.352 nan 8.270 nan 0.000 0.452 102 P HA -0.006 nan 4.420 nan 0.000 0.260 102 P C -0.242 177.082 177.300 0.039 0.000 1.207 102 P CA 0.413 63.526 63.100 0.021 0.000 0.780 102 P CB 1.003 32.712 31.700 0.014 0.000 0.789 103 T N 0.640 115.231 114.554 0.062 0.000 2.985 103 T HA 0.539 4.890 4.350 0.001 0.000 0.254 103 T C 0.442 175.215 174.700 0.123 0.000 1.021 103 T CA -0.164 61.994 62.100 0.096 0.000 0.957 103 T CB 0.393 69.358 68.868 0.161 0.000 1.047 103 T HN 0.390 nan 8.240 nan 0.000 0.511 104 A N 1.461 124.362 122.820 0.134 0.000 2.547 104 A HA 0.674 4.995 4.320 0.001 0.000 0.298 104 A C -1.192 176.499 177.584 0.177 0.000 1.062 104 A CA -1.201 50.930 52.037 0.156 0.000 0.748 104 A CB 0.788 19.946 19.000 0.263 0.000 1.288 104 A HN 0.657 nan 8.150 nan 0.000 0.396 105 I N -1.460 119.175 120.570 0.109 0.000 2.646 105 I HA 0.932 5.102 4.170 0.001 0.000 0.299 105 I C -1.168 175.005 176.117 0.092 0.000 1.036 105 I CA -0.938 60.433 61.300 0.119 0.000 1.074 105 I CB 1.901 39.904 38.000 0.004 0.000 1.258 105 I HN 0.457 nan 8.210 nan 0.000 0.430 106 F N 2.278 122.201 119.950 -0.045 0.000 2.561 106 F HA 0.477 5.005 4.527 0.001 0.000 0.321 106 F C -0.735 175.029 175.800 -0.060 0.000 1.065 106 F CA -0.538 57.436 58.000 -0.043 0.000 0.934 106 F CB 2.054 41.056 39.000 0.003 0.000 1.215 106 F HN 0.600 nan 8.300 nan 0.000 0.471 107 D N 0.977 121.431 120.400 0.089 0.000 2.505 107 D HA 0.121 4.761 4.640 0.001 0.000 0.250 107 D C -1.179 175.154 176.300 0.055 0.000 1.164 107 D CA -0.401 53.621 54.000 0.037 0.000 0.870 107 D CB 1.759 42.537 40.800 -0.037 0.000 1.160 107 D HN 0.283 nan 8.370 nan 0.000 0.549 108 S N 3.377 119.102 115.700 0.042 0.000 2.592 108 S HA 0.341 4.811 4.470 0.001 0.000 0.305 108 S C -0.552 173.940 174.600 -0.180 0.000 1.118 108 S CA -0.637 57.542 58.200 -0.035 0.000 1.075 108 S CB -0.361 62.883 63.200 0.074 0.000 1.107 108 S HN 0.331 nan 8.310 nan 0.000 0.503 109 L N 5.757 126.810 121.223 -0.283 0.000 2.307 109 L HA 0.522 4.862 4.340 0.001 0.000 0.282 109 L C 0.082 176.593 176.870 -0.599 0.000 1.051 109 L CA -0.077 54.589 54.840 -0.290 0.000 0.804 109 L CB 1.077 43.059 42.059 -0.128 0.000 1.197 109 L HN 0.590 nan 8.230 nan 0.000 0.431 110 H N 5.283 124.226 119.070 -0.212 0.000 3.092 110 H HA 0.562 5.119 4.556 0.000 0.000 0.308 110 H C -0.656 174.473 175.328 -0.332 0.000 1.047 110 H CA -0.262 55.538 56.048 -0.414 0.000 1.466 110 H CB 1.331 30.607 29.762 -0.810 0.000 1.597 110 H HN 0.557 nan 8.280 nan 0.000 0.512 111 M N 0.036 119.560 119.600 -0.126 0.000 2.846 111 M HA 0.241 4.721 4.480 0.001 0.000 0.282 111 M C 1.189 177.463 176.300 -0.043 0.000 1.266 111 M CA -0.766 54.501 55.300 -0.054 0.000 0.766 111 M CB 1.826 34.389 32.600 -0.061 0.000 1.739 111 M HN 0.332 nan 8.290 nan 0.000 0.442 112 S N -0.628 115.043 115.700 -0.048 0.000 2.439 112 S HA 0.172 4.643 4.470 0.001 0.000 0.224 112 S C 0.559 175.116 174.600 -0.072 0.000 1.029 112 S CA 0.011 58.171 58.200 -0.066 0.000 0.946 112 S CB 0.095 63.237 63.200 -0.096 0.000 0.797 112 S HN 0.730 nan 8.310 nan 0.000 0.504 113 R N 0.885 121.345 120.500 -0.066 0.000 2.739 113 R HA 0.441 4.782 4.340 0.001 0.000 0.271 113 R C -1.213 175.054 176.300 -0.054 0.000 1.010 113 R CA -1.004 55.061 56.100 -0.059 0.000 0.897 113 R CB 0.799 31.067 30.300 -0.053 0.000 1.236 113 R HN 0.290 nan 8.270 nan 0.000 0.466 114 I N 2.059 122.598 120.570 -0.051 0.000 2.593 114 I HA 0.191 4.361 4.170 0.001 0.000 0.304 114 I C 0.130 176.225 176.117 -0.036 0.000 1.176 114 I CA -0.057 61.214 61.300 -0.047 0.000 1.533 114 I CB -0.483 37.484 38.000 -0.054 0.000 1.492 114 I HN 0.315 nan 8.210 nan 0.000 0.704 115 I N 5.979 126.532 120.570 -0.028 0.000 2.576 115 I HA -0.055 4.115 4.170 0.001 0.000 0.288 115 I C 1.157 177.277 176.117 0.004 0.000 1.126 115 I CA 0.232 61.524 61.300 -0.013 0.000 1.362 115 I CB 0.082 38.078 38.000 -0.008 0.000 1.419 115 I HN 0.600 nan 8.210 nan 0.000 0.533 116 D N 5.432 125.833 120.400 0.001 0.000 2.228 116 D HA -0.164 4.476 4.640 0.001 0.000 0.203 116 D C 1.970 178.301 176.300 0.051 0.000 0.988 116 D CA 1.539 55.545 54.000 0.011 0.000 0.864 116 D CB 0.120 40.918 40.800 -0.004 0.000 0.928 116 D HN 0.800 nan 8.370 nan 0.000 0.469 117 G N 1.154 109.989 108.800 0.059 0.000 2.404 117 G HA2 -0.185 3.775 3.960 0.001 0.000 0.215 117 G HA3 -0.185 3.775 3.960 0.001 0.000 0.215 117 G C 1.803 176.796 174.900 0.155 0.000 1.174 117 G CA 0.218 45.387 45.100 0.115 0.000 0.780 117 G HN 0.260 nan 8.290 nan 0.000 0.537 118 I N 0.390 121.016 120.570 0.092 0.000 2.315 118 I HA -0.055 4.116 4.170 0.001 0.000 0.248 118 I C 2.598 178.776 176.117 0.102 0.000 1.117 118 I CA 0.515 61.859 61.300 0.073 0.000 1.404 118 I CB -0.168 37.853 38.000 0.036 0.000 1.071 118 I HN 0.144 nan 8.210 nan 0.000 0.419 119 I N 0.789 121.427 120.570 0.114 0.000 2.163 119 I HA -0.264 3.906 4.170 0.001 0.000 0.240 119 I C 2.357 178.613 176.117 0.232 0.000 1.081 119 I CA 1.572 62.969 61.300 0.163 0.000 1.353 119 I CB -0.332 37.702 38.000 0.056 0.000 1.054 119 I HN 0.183 nan 8.210 nan 0.000 0.407 120 E N 0.614 120.933 120.200 0.198 0.000 2.333 120 E HA -0.153 4.197 4.350 0.001 0.000 0.198 120 E C 2.163 178.970 176.600 0.344 0.000 1.007 120 E CA 0.845 57.400 56.400 0.258 0.000 0.845 120 E CB -0.191 29.645 29.700 0.226 0.000 0.766 120 E HN 0.615 nan 8.360 nan 0.000 0.507 121 G N 1.086 110.025 108.800 0.232 0.000 2.414 121 G HA2 -0.218 3.743 3.960 0.001 0.000 0.215 121 G HA3 -0.218 3.743 3.960 0.001 0.000 0.215 121 G C 1.515 176.394 174.900 -0.035 0.000 1.188 121 G CA 0.418 45.485 45.100 -0.056 0.000 0.783 121 G HN 0.116 nan 8.290 nan 0.000 0.537 122 I N 1.585 122.175 120.570 0.034 0.000 2.546 122 I HA 0.005 4.175 4.170 0.001 0.000 0.255 122 I C 3.077 179.204 176.117 0.016 0.000 1.163 122 I CA 0.853 62.127 61.300 -0.043 0.000 1.457 122 I CB -0.046 37.862 38.000 -0.154 0.000 1.092 122 I HN 0.223 nan 8.210 nan 0.000 0.434 123 A N 0.672 123.624 122.820 0.220 0.000 1.832 123 A HA -0.198 4.122 4.320 0.001 0.000 0.214 123 A C 1.954 179.658 177.584 0.200 0.000 1.200 123 A CA 1.904 54.125 52.037 0.307 0.000 0.610 123 A CB -0.754 18.474 19.000 0.380 0.000 0.842 123 A HN 0.297 nan 8.150 nan 0.000 0.444 124 D N -2.164 118.363 120.400 0.213 0.000 2.311 124 D HA -0.109 4.531 4.640 0.001 0.000 0.212 124 D C 1.355 177.729 176.300 0.123 0.000 0.972 124 D CA 1.125 55.235 54.000 0.184 0.000 0.887 124 D CB -0.162 40.816 40.800 0.298 0.000 0.915 124 D HN 0.616 nan 8.370 nan 0.000 0.497 125 Y N 0.266 120.571 120.300 0.007 0.000 2.314 125 Y HA 0.213 4.763 4.550 0.000 0.000 0.294 125 Y C 2.419 178.301 175.900 -0.030 0.000 1.139 125 Y CA 1.190 59.271 58.100 -0.031 0.000 1.162 125 Y CB -0.233 38.169 38.460 -0.095 0.000 1.121 125 Y HN -0.054 nan 8.280 nan 0.000 0.529 126 G N 0.256 109.162 108.800 0.176 0.000 2.422 126 G HA2 -0.258 3.702 3.960 0.001 0.000 0.218 126 G HA3 -0.258 3.702 3.960 0.001 0.000 0.218 126 G C 1.367 176.293 174.900 0.043 0.000 1.146 126 G CA 1.144 46.291 45.100 0.078 0.000 0.769 126 G HN 0.335 nan 8.290 nan 0.000 0.547 127 N N 0.815 119.547 118.700 0.054 0.000 2.270 127 N HA -0.028 4.712 4.740 0.001 0.000 0.181 127 N C 2.308 177.829 175.510 0.019 0.000 1.016 127 N CA 0.923 54.003 53.050 0.049 0.000 0.870 127 N CB -0.202 38.333 38.487 0.079 0.000 0.979 127 N HN 0.174 nan 8.380 nan 0.000 0.431 128 S N 0.938 116.632 115.700 -0.010 0.000 2.481 128 S HA 0.079 4.549 4.470 0.001 0.000 0.231 128 S C 1.789 176.360 174.600 -0.048 0.000 0.996 128 S CA 0.311 58.487 58.200 -0.041 0.000 0.942 128 S CB -0.033 63.105 63.200 -0.104 0.000 0.768 128 S HN 0.485 nan 8.310 nan 0.000 0.520 129 I N -2.107 118.434 120.570 -0.048 0.000 3.956 129 I HA 0.446 4.617 4.170 0.001 0.000 0.333 129 I C 1.131 177.250 176.117 0.003 0.000 1.302 129 I CA 0.103 61.386 61.300 -0.030 0.000 1.122 129 I CB -0.508 37.478 38.000 -0.023 0.000 1.013 129 I HN 0.194 nan 8.210 nan 0.000 0.405 130 G N 2.303 111.108 108.800 0.009 0.000 2.246 130 G HA2 -0.197 3.764 3.960 0.001 0.000 0.273 130 G HA3 -0.197 3.764 3.960 0.001 0.000 0.273 130 G C -0.088 174.822 174.900 0.015 0.000 1.055 130 G CA 0.272 45.380 45.100 0.013 0.000 0.851 130 G HN 0.318 nan 8.290 nan 0.000 0.500 131 V N 2.042 121.967 119.914 0.018 0.000 2.357 131 V HA 0.457 4.577 4.120 0.001 0.000 0.284 131 V C -1.486 174.613 176.094 0.009 0.000 1.018 131 V CA -1.753 60.559 62.300 0.020 0.000 0.841 131 V CB 1.907 33.747 31.823 0.028 0.000 0.991 131 V HN 0.262 nan 8.190 nan 0.000 0.437 132 P HA 0.121 nan 4.420 nan 0.000 0.271 132 P C -0.112 177.162 177.300 -0.043 0.000 1.226 132 P CA -0.009 63.090 63.100 -0.003 0.000 0.765 132 P CB 0.515 32.212 31.700 -0.004 0.000 0.835 133 T N 2.047 116.560 114.554 -0.068 0.000 3.162 133 T HA 0.174 4.524 4.350 0.001 0.000 0.316 133 T C 1.169 175.733 174.700 -0.227 0.000 1.182 133 T CA -0.383 61.596 62.100 -0.201 0.000 1.015 133 T CB -0.464 68.182 68.868 -0.370 0.000 1.089 133 T HN 0.302 nan 8.240 nan 0.000 0.646 134 V N 0.065 119.762 119.914 -0.361 0.000 3.416 134 V HA 0.671 4.791 4.120 0.001 0.000 0.334 134 V C 0.842 176.451 176.094 -0.808 0.000 1.271 134 V CA -0.063 61.974 62.300 -0.438 0.000 1.274 134 V CB -1.449 30.222 31.823 -0.254 0.000 1.153 134 V HN 0.949 nan 8.190 nan 0.000 0.433 135 G N -1.841 106.421 108.800 -0.897 0.000 2.347 135 G HA2 0.575 4.535 3.960 0.001 0.000 0.321 135 G HA3 0.575 4.535 3.960 0.001 0.000 0.321 135 G C -0.503 174.017 174.900 -0.633 0.000 1.412 135 G CA 0.169 44.765 45.100 -0.841 0.000 0.990 135 G HN 1.575 nan 8.290 nan 0.000 0.637 136 G N -1.013 107.704 108.800 -0.139 0.000 2.322 136 G HA2 0.608 4.568 3.960 0.001 0.000 0.295 136 G HA3 0.608 4.568 3.960 0.001 0.000 0.295 136 G C -1.341 173.631 174.900 0.120 0.000 1.369 136 G CA -0.350 44.810 45.100 0.100 0.000 0.821 136 G HN 0.696 nan 8.290 nan 0.000 0.536 137 E N -1.250 119.006 120.200 0.093 0.000 2.232 137 E HA 0.660 5.011 4.350 0.001 0.000 0.265 137 E C -1.132 175.441 176.600 -0.045 0.000 1.001 137 E CA -0.814 55.609 56.400 0.037 0.000 0.870 137 E CB 2.433 32.133 29.700 -0.001 0.000 1.175 137 E HN 0.248 nan 8.360 nan 0.000 0.407 138 L N 2.356 123.553 121.223 -0.043 0.000 2.435 138 L HA 0.187 4.527 4.340 0.001 0.000 0.259 138 L C -1.358 175.483 176.870 -0.049 0.000 1.563 138 L CA -0.151 54.647 54.840 -0.069 0.000 0.789 138 L CB 0.546 42.598 42.059 -0.010 0.000 0.989 138 L HN 0.276 nan 8.230 nan 0.000 0.522 139 R N 2.769 123.206 120.500 -0.104 0.000 2.308 139 R HA 0.445 4.785 4.340 0.001 0.000 0.325 139 R C -0.510 175.674 176.300 -0.192 0.000 1.161 139 R CA -0.386 55.724 56.100 0.016 0.000 1.022 139 R CB 0.373 30.854 30.300 0.301 0.000 1.091 139 R HN 0.278 nan 8.270 nan 0.000 0.497 140 I N 1.401 121.841 120.570 -0.217 0.000 2.304 140 I HA 0.243 4.413 4.170 0.001 0.000 0.291 140 I C 0.528 176.408 176.117 -0.396 0.000 1.018 140 I CA -0.043 61.117 61.300 -0.233 0.000 1.260 140 I CB 1.090 39.016 38.000 -0.123 0.000 1.390 140 I HN 0.351 nan 8.210 nan 0.000 0.475 141 S N 3.277 118.769 115.700 -0.347 0.000 2.537 141 S HA 0.288 4.759 4.470 0.001 0.000 0.271 141 S C 0.570 175.108 174.600 -0.104 0.000 1.148 141 S CA -0.489 57.519 58.200 -0.322 0.000 0.868 141 S CB 1.509 64.318 63.200 -0.652 0.000 1.115 141 S HN 0.609 nan 8.310 nan 0.000 0.461 142 S N 3.252 118.908 115.700 -0.073 0.000 2.660 142 S HA 0.091 4.561 4.470 0.001 0.000 0.228 142 S C 1.316 175.890 174.600 -0.043 0.000 0.966 142 S CA 0.219 58.390 58.200 -0.048 0.000 0.940 142 S CB -0.489 62.692 63.200 -0.032 0.000 0.773 142 S HN 0.620 nan 8.310 nan 0.000 0.535 143 L N -0.816 120.365 121.223 -0.069 0.000 2.375 143 L HA 0.210 4.550 4.340 0.001 0.000 0.215 143 L C 1.033 177.738 176.870 -0.274 0.000 1.108 143 L CA 0.787 55.528 54.840 -0.165 0.000 0.830 143 L CB -0.170 41.752 42.059 -0.228 0.000 0.959 143 L HN 0.316 nan 8.230 nan 0.000 0.457 144 Y N -1.430 118.841 120.300 -0.049 0.000 2.524 144 Y HA 0.277 4.828 4.550 0.000 0.000 0.266 144 Y C 2.006 177.861 175.900 -0.074 0.000 1.180 144 Y CA 0.054 58.129 58.100 -0.042 0.000 1.244 144 Y CB -0.361 38.077 38.460 -0.037 0.000 1.125 144 Y HN 0.059 nan 8.280 nan 0.000 0.524 145 A N -0.012 122.797 122.820 -0.018 0.000 1.873 145 A HA -0.220 4.100 4.320 0.001 0.000 0.218 145 A C 1.539 178.947 177.584 -0.293 0.000 1.193 145 A CA 1.868 53.793 52.037 -0.187 0.000 0.629 145 A CB -0.613 18.203 19.000 -0.308 0.000 0.826 145 A HN 0.519 nan 8.150 nan 0.000 0.447 146 H N -1.564 117.405 119.070 -0.168 0.000 2.517 146 H HA 0.233 4.789 4.556 0.001 0.000 0.282 146 H C -0.463 174.763 175.328 -0.169 0.000 1.023 146 H CA 0.192 56.038 56.048 -0.337 0.000 1.169 146 H CB -0.190 29.057 29.762 -0.858 0.000 1.454 146 H HN 0.541 nan 8.280 nan 0.000 0.556 147 N N 1.659 120.389 118.700 0.050 0.000 2.732 147 N HA 0.104 4.844 4.740 0.001 0.000 0.247 147 N C -2.936 172.656 175.510 0.135 0.000 1.305 147 N CA -0.979 52.127 53.050 0.093 0.000 0.762 147 N CB 2.114 40.672 38.487 0.119 0.000 1.361 147 N HN 0.011 nan 8.380 nan 0.000 0.545 148 P HA 0.301 nan 4.420 nan 0.000 0.281 148 P C -0.976 176.331 177.300 0.012 0.000 1.249 148 P CA -0.389 62.736 63.100 0.041 0.000 0.810 148 P CB 1.808 33.510 31.700 0.004 0.000 1.008 149 L N 1.815 123.032 121.223 -0.009 0.000 2.346 149 L HA 0.547 4.888 4.340 0.001 0.000 0.276 149 L C -0.383 176.515 176.870 0.046 0.000 1.006 149 L CA -1.095 53.750 54.840 0.008 0.000 0.817 149 L CB 2.313 44.367 42.059 -0.010 0.000 1.272 149 L HN 0.072 nan 8.230 nan 0.000 0.421 150 V N 2.143 122.076 119.914 0.032 0.000 2.398 150 V HA 0.280 4.400 4.120 0.001 0.000 0.282 150 V C -0.744 175.381 176.094 0.052 0.000 1.014 150 V CA -0.657 61.661 62.300 0.030 0.000 0.838 150 V CB 1.395 33.227 31.823 0.014 0.000 1.018 150 V HN 0.746 nan 8.190 nan 0.000 0.432 151 N N 2.991 121.730 118.700 0.065 0.000 2.501 151 N HA 0.540 5.281 4.740 0.001 0.000 0.245 151 N C -0.496 175.049 175.510 0.058 0.000 0.974 151 N CA -0.527 52.565 53.050 0.070 0.000 0.941 151 N CB 2.122 40.661 38.487 0.086 0.000 1.122 151 N HN 0.558 nan 8.380 nan 0.000 0.507 152 V N 0.848 120.787 119.914 0.043 0.000 2.439 152 V HA 0.472 4.592 4.120 0.001 0.000 0.282 152 V C -0.006 176.116 176.094 0.046 0.000 1.039 152 V CA -0.874 61.444 62.300 0.029 0.000 0.913 152 V CB 1.238 33.040 31.823 -0.034 0.000 0.983 152 V HN 0.558 nan 8.190 nan 0.000 0.460 153 L N 4.902 126.181 121.223 0.093 0.000 2.318 153 L HA 0.864 5.204 4.340 0.001 0.000 0.277 153 L C 0.362 177.309 176.870 0.128 0.000 1.008 153 L CA -0.375 54.517 54.840 0.086 0.000 0.846 153 L CB 0.963 43.059 42.059 0.060 0.000 1.220 153 L HN 0.957 nan 8.230 nan 0.000 0.423 154 A N 4.247 127.115 122.820 0.079 0.000 2.304 154 A HA 0.907 5.227 4.320 0.001 0.000 0.301 154 A C -0.436 177.220 177.584 0.120 0.000 1.132 154 A CA -0.013 52.076 52.037 0.087 0.000 0.819 154 A CB 1.295 20.313 19.000 0.031 0.000 1.094 154 A HN 0.882 nan 8.150 nan 0.000 0.492 155 A N 0.450 123.345 122.820 0.126 0.000 2.498 155 A HA 0.905 5.225 4.320 0.001 0.000 0.298 155 A C -0.138 177.473 177.584 0.045 0.000 1.075 155 A CA -0.040 52.064 52.037 0.112 0.000 0.714 155 A CB 1.733 20.809 19.000 0.127 0.000 1.299 155 A HN 2.144 nan 8.150 nan 0.000 0.407 156 G N -0.645 108.140 108.800 -0.025 0.000 2.718 156 G HA2 0.599 4.559 3.960 0.001 0.000 0.295 156 G HA3 0.599 4.559 3.960 0.001 0.000 0.295 156 G C -1.736 173.081 174.900 -0.138 0.000 1.421 156 G CA -0.404 44.666 45.100 -0.050 0.000 0.902 156 G HN 1.250 nan 8.290 nan 0.000 0.501 157 V N 0.496 120.337 119.914 -0.122 0.000 2.612 157 V HA 0.855 4.976 4.120 0.001 0.000 0.301 157 V C -0.545 175.533 176.094 -0.027 0.000 1.046 157 V CA -0.474 61.733 62.300 -0.155 0.000 0.946 157 V CB 1.644 33.343 31.823 -0.206 0.000 1.003 157 V HN 0.992 nan 8.190 nan 0.000 0.459 158 V N 6.596 126.537 119.914 0.046 0.000 3.147 158 V HA 0.584 4.704 4.120 0.001 0.000 0.299 158 V C -0.569 175.632 176.094 0.178 0.000 1.302 158 V CA -0.900 61.466 62.300 0.110 0.000 1.015 158 V CB 2.611 34.471 31.823 0.061 0.000 1.086 158 V HN 0.963 nan 8.190 nan 0.000 0.437 159 R N 3.314 123.862 120.500 0.081 0.000 2.582 159 R HA 0.393 4.733 4.340 0.001 0.000 0.271 159 R C 0.754 177.026 176.300 -0.047 0.000 1.078 159 R CA -0.395 55.634 56.100 -0.118 0.000 1.127 159 R CB 0.409 30.595 30.300 -0.190 0.000 1.038 159 R HN 0.749 nan 8.270 nan 0.000 0.500 160 N N 1.457 120.121 118.700 -0.059 0.000 2.409 160 N HA -0.108 4.633 4.740 0.001 0.000 0.179 160 N C 0.187 175.692 175.510 -0.007 0.000 1.032 160 N CA 0.897 53.941 53.050 -0.011 0.000 0.898 160 N CB 0.196 38.685 38.487 0.002 0.000 0.971 160 N HN 0.630 nan 8.380 nan 0.000 0.441 161 D N -0.268 120.121 120.400 -0.019 0.000 2.328 161 D HA 0.012 4.652 4.640 0.001 0.000 0.226 161 D C 0.905 177.200 176.300 -0.008 0.000 1.066 161 D CA 0.244 54.239 54.000 -0.009 0.000 0.861 161 D CB 0.243 41.038 40.800 -0.007 0.000 0.912 161 D HN 0.164 nan 8.370 nan 0.000 0.521 162 M N 0.482 120.079 119.600 -0.005 0.000 2.327 162 M HA 0.219 4.699 4.480 0.001 0.000 0.365 162 M C 0.274 176.587 176.300 0.021 0.000 0.992 162 M CA -0.380 54.922 55.300 0.004 0.000 0.985 162 M CB 1.247 33.850 32.600 0.006 0.000 1.673 162 M HN -0.031 nan 8.290 nan 0.000 0.586 163 L N 1.721 122.957 121.223 0.023 0.000 2.456 163 L HA 0.202 4.542 4.340 0.001 0.000 0.272 163 L C -0.444 176.452 176.870 0.044 0.000 1.189 163 L CA -0.042 54.821 54.840 0.038 0.000 0.846 163 L CB 0.789 42.867 42.059 0.031 0.000 1.111 163 L HN -0.128 nan 8.230 nan 0.000 0.475 164 V N 3.848 123.803 119.914 0.068 0.000 2.581 164 V HA 0.292 4.412 4.120 0.001 0.000 0.303 164 V C 0.035 176.173 176.094 0.073 0.000 1.041 164 V CA -0.823 61.525 62.300 0.080 0.000 0.907 164 V CB 1.691 33.603 31.823 0.148 0.000 0.994 164 V HN 0.699 nan 8.190 nan 0.000 0.442 165 D N 1.760 122.197 120.400 0.062 0.000 2.414 165 D HA 0.295 4.936 4.640 0.001 0.000 0.259 165 D C 0.546 176.885 176.300 0.064 0.000 1.269 165 D CA 0.294 54.325 54.000 0.052 0.000 1.028 165 D CB 1.525 42.350 40.800 0.041 0.000 1.093 165 D HN 0.692 nan 8.370 nan 0.000 0.545 166 S N -1.465 114.266 115.700 0.050 0.000 2.901 166 S HA 0.281 4.751 4.470 0.001 0.000 0.248 166 S C -0.295 174.331 174.600 0.044 0.000 1.021 166 S CA -0.716 57.515 58.200 0.051 0.000 1.090 166 S CB 0.013 63.234 63.200 0.035 0.000 1.039 166 S HN 0.479 nan 8.310 nan 0.000 0.514 167 K N -0.590 119.838 120.400 0.046 0.000 2.575 167 K HA 0.785 5.105 4.320 0.001 0.000 0.279 167 K C -1.228 175.398 176.600 0.044 0.000 0.969 167 K CA -1.063 55.249 56.287 0.041 0.000 0.868 167 K CB 1.304 33.823 32.500 0.032 0.000 1.457 167 K HN 0.096 nan 8.250 nan 0.000 0.426 168 A N 1.285 124.132 122.820 0.045 0.000 2.309 168 A HA 0.328 4.648 4.320 0.001 0.000 0.290 168 A C 0.884 178.489 177.584 0.035 0.000 1.206 168 A CA -0.219 51.844 52.037 0.043 0.000 0.850 168 A CB 0.196 19.226 19.000 0.050 0.000 1.118 168 A HN 0.833 nan 8.150 nan 0.000 0.523 169 S N 3.168 118.886 115.700 0.030 0.000 2.348 169 S HA 0.019 4.490 4.470 0.001 0.000 0.219 169 S C 0.925 175.539 174.600 0.024 0.000 1.033 169 S CA 0.783 58.998 58.200 0.025 0.000 0.974 169 S CB -0.260 62.952 63.200 0.020 0.000 0.868 169 S HN 0.894 nan 8.310 nan 0.000 0.459 170 R N 1.019 121.533 120.500 0.023 0.000 2.854 170 R HA 0.762 5.103 4.340 0.001 0.000 0.271 170 R C -3.580 172.734 176.300 0.024 0.000 0.996 170 R CA -2.351 53.762 56.100 0.021 0.000 0.961 170 R CB 0.415 30.725 30.300 0.016 0.000 1.182 170 R HN 0.021 nan 8.270 nan 0.000 0.479 171 P HA 0.222 nan 4.420 nan 0.000 0.276 171 P C 0.109 177.423 177.300 0.023 0.000 1.244 171 P CA 0.326 63.442 63.100 0.027 0.000 0.801 171 P CB 1.147 32.863 31.700 0.026 0.000 1.006 172 G N -0.329 108.486 108.800 0.025 0.000 2.179 172 G HA2 -0.191 3.769 3.960 0.001 0.000 0.220 172 G HA3 -0.191 3.769 3.960 0.001 0.000 0.220 172 G C 0.031 174.943 174.900 0.019 0.000 0.990 172 G CA -0.392 44.720 45.100 0.020 0.000 0.646 172 G HN 0.536 nan 8.290 nan 0.000 0.517 173 Q N -0.278 119.537 119.800 0.024 0.000 2.205 173 Q HA 0.658 4.998 4.340 0.001 0.000 0.249 173 Q C 0.260 176.279 176.000 0.032 0.000 0.948 173 Q CA -0.328 55.489 55.803 0.024 0.000 0.895 173 Q CB 2.500 31.253 28.738 0.026 0.000 1.249 173 Q HN 0.759 nan 8.270 nan 0.000 0.458 174 V N -1.254 118.678 119.914 0.029 0.000 2.769 174 V HA 0.633 4.753 4.120 0.001 0.000 0.312 174 V C -0.569 175.553 176.094 0.046 0.000 1.061 174 V CA -0.969 61.354 62.300 0.038 0.000 0.931 174 V CB 1.511 33.350 31.823 0.026 0.000 1.010 174 V HN 0.622 nan 8.190 nan 0.000 0.433 175 I N 3.358 123.967 120.570 0.064 0.000 2.321 175 I HA 0.524 4.694 4.170 0.001 0.000 0.291 175 I C -0.495 175.674 176.117 0.087 0.000 0.998 175 I CA -0.789 60.559 61.300 0.080 0.000 1.227 175 I CB 1.806 39.864 38.000 0.096 0.000 1.368 175 I HN 0.424 nan 8.210 nan 0.000 0.466 176 V N 7.012 126.984 119.914 0.096 0.000 2.435 176 V HA 0.411 4.531 4.120 0.001 0.000 0.290 176 V C 0.129 176.342 176.094 0.199 0.000 1.030 176 V CA -0.609 61.758 62.300 0.112 0.000 0.881 176 V CB 2.007 33.862 31.823 0.054 0.000 0.983 176 V HN 0.438 nan 8.190 nan 0.000 0.445 177 I N 6.213 126.905 120.570 0.203 0.000 2.354 177 I HA 0.562 4.733 4.170 0.001 0.000 0.292 177 I C -0.349 175.963 176.117 0.324 0.000 0.989 177 I CA -0.108 61.331 61.300 0.231 0.000 1.188 177 I CB 1.269 39.356 38.000 0.145 0.000 1.342 177 I HN 0.735 nan 8.210 nan 0.000 0.457 178 F N 4.001 123.992 119.950 0.068 0.000 2.726 178 F HA 0.949 5.476 4.527 0.001 0.000 0.324 178 F C 0.105 175.930 175.800 0.043 0.000 1.140 178 F CA -0.441 57.594 58.000 0.058 0.000 0.964 178 F CB 1.321 40.344 39.000 0.039 0.000 1.399 178 F HN 0.712 nan 8.300 nan 0.000 0.491 179 G N 0.050 108.783 108.800 -0.113 0.000 2.301 179 G HA2 0.400 4.361 3.960 0.001 0.000 0.194 179 G HA3 0.400 4.361 3.960 0.001 0.000 0.194 179 G C -0.052 174.792 174.900 -0.093 0.000 1.266 179 G CA -0.077 44.857 45.100 -0.277 0.000 1.210 179 G HN 1.649 nan 8.290 nan 0.000 0.524 180 G N 0.047 108.811 108.800 -0.059 0.000 2.611 180 G HA2 0.653 4.614 3.960 0.001 0.000 0.273 180 G HA3 0.653 4.614 3.960 0.001 0.000 0.273 180 G C 0.711 175.741 174.900 0.216 0.000 1.305 180 G CA 0.991 46.133 45.100 0.071 0.000 1.010 180 G HN 2.007 nan 8.290 nan 0.000 0.509 181 A N -0.970 122.008 122.820 0.263 0.000 2.371 181 A HA 0.575 4.895 4.320 0.001 0.000 0.257 181 A C 0.448 178.088 177.584 0.094 0.000 1.089 181 A CA -0.107 52.044 52.037 0.190 0.000 0.794 181 A CB 0.294 19.370 19.000 0.127 0.000 1.029 181 A HN 0.569 nan 8.150 nan 0.000 0.488 182 T N 2.253 116.844 114.554 0.063 0.000 2.832 182 T HA 0.557 4.907 4.350 0.001 0.000 0.313 182 T C 0.685 175.387 174.700 0.004 0.000 1.035 182 T CA 0.298 62.416 62.100 0.031 0.000 0.950 182 T CB 0.917 69.805 68.868 0.033 0.000 0.984 182 T HN 0.981 nan 8.240 nan 0.000 0.486 183 G N 1.848 110.646 108.800 -0.004 0.000 3.212 183 G HA2 0.487 4.447 3.960 0.001 0.000 0.188 183 G HA3 0.487 4.447 3.960 0.001 0.000 0.188 183 G C -0.634 174.238 174.900 -0.047 0.000 1.254 183 G CA -1.005 44.081 45.100 -0.024 0.000 0.957 183 G HN 0.503 nan 8.290 nan 0.000 0.596 184 R N 0.554 121.026 120.500 -0.048 0.000 2.593 184 R HA 0.293 4.633 4.340 0.001 0.000 0.282 184 R C -0.788 175.493 176.300 -0.031 0.000 1.300 184 R CA 0.052 56.115 56.100 -0.062 0.000 1.221 184 R CB 0.316 30.578 30.300 -0.063 0.000 1.157 184 R HN 0.409 nan 8.270 nan 0.000 0.555 185 D N 0.263 120.646 120.400 -0.029 0.000 2.520 185 D HA 0.196 4.836 4.640 0.001 0.000 0.223 185 D C 0.393 176.689 176.300 -0.006 0.000 1.186 185 D CA 0.071 54.067 54.000 -0.007 0.000 0.821 185 D CB 1.561 42.361 40.800 0.001 0.000 1.072 185 D HN 0.577 nan 8.370 nan 0.000 0.518 204 K N 0.130 120.548 120.400 0.031 0.000 2.868 204 K HA 0.491 4.811 4.320 0.001 0.000 0.217 204 K C -0.102 176.515 176.600 0.030 0.000 1.712 204 K CA -0.228 56.078 56.287 0.031 0.000 1.134 204 K CB 0.359 32.879 32.500 0.033 0.000 2.040 204 K HN -0.009 nan 8.250 nan 0.000 0.487 205 L N 1.826 123.068 121.223 0.032 0.000 3.073 205 L HA 0.283 4.624 4.340 0.001 0.000 0.242 205 L C -0.165 176.719 176.870 0.023 0.000 1.317 205 L CA 0.234 55.092 54.840 0.029 0.000 1.081 205 L CB 0.374 42.459 42.059 0.044 0.000 1.456 205 L HN 0.359 nan 8.230 nan 0.000 0.525 206 S N -1.969 113.744 115.700 0.021 0.000 2.560 206 S HA 0.292 4.763 4.470 0.001 0.000 0.281 206 S C 0.325 174.938 174.600 0.023 0.000 1.075 206 S CA -0.359 57.850 58.200 0.015 0.000 1.295 206 S CB -0.372 62.833 63.200 0.009 0.000 1.156 206 S HN 0.199 nan 8.310 nan 0.000 0.627 207 I N 2.298 122.886 120.570 0.029 0.000 2.331 207 I HA 0.688 4.858 4.170 0.001 0.000 0.292 207 I C -0.676 175.463 176.117 0.037 0.000 0.998 207 I CA -0.715 60.607 61.300 0.037 0.000 1.267 207 I CB 1.102 39.128 38.000 0.043 0.000 1.386 207 I HN 0.247 nan 8.210 nan 0.000 0.476 208 Q N 4.636 124.460 119.800 0.039 0.000 2.379 208 Q HA 0.728 5.068 4.340 0.001 0.000 0.278 208 Q C -1.697 174.332 176.000 0.049 0.000 1.068 208 Q CA -1.075 54.752 55.803 0.041 0.000 0.816 208 Q CB 2.697 31.453 28.738 0.030 0.000 1.387 208 Q HN 0.526 nan 8.270 nan 0.000 0.413 209 V N 1.056 121.010 119.914 0.066 0.000 2.539 209 V HA 0.671 4.791 4.120 0.001 0.000 0.292 209 V C 0.608 176.758 176.094 0.094 0.000 1.045 209 V CA -0.288 62.066 62.300 0.089 0.000 0.945 209 V CB 1.487 33.382 31.823 0.119 0.000 0.993 209 V HN 0.885 nan 8.190 nan 0.000 0.464 210 G N 0.996 109.869 108.800 0.121 0.000 2.420 210 G HA2 0.415 4.375 3.960 0.001 0.000 0.284 210 G HA3 0.415 4.375 3.960 0.001 0.000 0.284 210 G C -0.728 174.285 174.900 0.188 0.000 1.177 210 G CA -0.146 45.079 45.100 0.208 0.000 0.841 210 G HN 0.676 nan 8.290 nan 0.000 0.527 211 D N 2.023 122.508 120.400 0.141 0.000 2.485 211 D HA 0.263 4.903 4.640 0.001 0.000 0.256 211 D C -1.088 175.170 176.300 -0.070 0.000 1.141 211 D CA -2.226 51.811 54.000 0.061 0.000 0.942 211 D CB 1.603 42.452 40.800 0.082 0.000 1.003 211 D HN 0.094 nan 8.370 nan 0.000 0.507 212 P HA -0.165 nan 4.420 nan 0.000 0.221 212 P C 1.491 178.648 177.300 -0.240 0.000 1.145 212 P CA 0.430 63.126 63.100 -0.674 0.000 0.795 212 P CB 0.065 31.211 31.700 -0.924 0.000 0.775 213 F N 1.879 121.712 119.950 -0.196 0.000 2.146 213 F HA 0.044 4.572 4.527 0.001 0.000 0.298 213 F C 2.293 178.046 175.800 -0.077 0.000 1.096 213 F CA 1.298 59.233 58.000 -0.109 0.000 1.275 213 F CB -1.031 37.928 39.000 -0.068 0.000 1.008 213 F HN -0.078 nan 8.300 nan 0.000 0.480 214 A N -0.253 122.370 122.820 -0.328 0.000 2.015 214 A HA -0.162 4.159 4.320 0.001 0.000 0.219 214 A C 2.090 179.510 177.584 -0.273 0.000 1.163 214 A CA 1.580 53.385 52.037 -0.387 0.000 0.646 214 A CB -0.884 18.007 19.000 -0.181 0.000 0.806 214 A HN 0.521 nan 8.150 nan 0.000 0.448 215 E N 0.001 120.090 120.200 -0.186 0.000 2.106 215 E HA -0.188 4.162 4.350 0.001 0.000 0.192 215 E C 1.948 178.474 176.600 -0.124 0.000 0.984 215 E CA 1.545 57.875 56.400 -0.117 0.000 0.806 215 E CB -0.058 29.624 29.700 -0.031 0.000 0.750 215 E HN 0.449 nan 8.360 nan 0.000 0.458 216 K N -0.316 119.992 120.400 -0.153 0.000 2.062 216 K HA -0.040 4.280 4.320 0.001 0.000 0.205 216 K C 1.705 178.241 176.600 -0.107 0.000 1.051 216 K CA 1.311 57.538 56.287 -0.100 0.000 0.941 216 K CB -0.054 32.409 32.500 -0.063 0.000 0.719 216 K HN 0.126 nan 8.250 nan 0.000 0.440 217 M N 0.277 119.747 119.600 -0.216 0.000 2.394 217 M HA 0.007 4.488 4.480 0.001 0.000 0.264 217 M C 1.808 178.058 176.300 -0.084 0.000 1.073 217 M CA 0.855 56.068 55.300 -0.144 0.000 1.111 217 M CB -0.737 31.670 32.600 -0.322 0.000 1.401 217 M HN 0.208 nan 8.290 nan 0.000 0.448 218 L N -0.090 121.067 121.223 -0.110 0.000 2.209 218 L HA 0.037 4.378 4.340 0.001 0.000 0.207 218 L C 2.031 178.907 176.870 0.011 0.000 1.094 218 L CA 1.217 56.016 54.840 -0.068 0.000 0.790 218 L CB -0.264 41.687 42.059 -0.180 0.000 0.932 218 L HN 0.124 nan 8.230 nan 0.000 0.447 219 I N -0.650 119.904 120.570 -0.026 0.000 2.193 219 I HA -0.179 3.991 4.170 0.001 0.000 0.240 219 I C 2.183 178.323 176.117 0.039 0.000 1.084 219 I CA 0.940 62.245 61.300 0.009 0.000 1.365 219 I CB -0.337 37.656 38.000 -0.011 0.000 1.064 219 I HN 0.218 nan 8.210 nan 0.000 0.410 220 E N 0.948 121.143 120.200 -0.008 0.000 2.268 220 E HA -0.130 4.220 4.350 0.001 0.000 0.195 220 E C 2.135 178.581 176.600 -0.256 0.000 0.995 220 E CA 1.107 57.489 56.400 -0.030 0.000 0.836 220 E CB -0.055 29.692 29.700 0.077 0.000 0.763 220 E HN 0.497 nan 8.360 nan 0.000 0.491 221 A N 0.650 123.252 122.820 -0.363 0.000 1.855 221 A HA -0.092 4.228 4.320 0.001 0.000 0.213 221 A C 2.013 179.531 177.584 -0.110 0.000 1.195 221 A CA 0.656 52.392 52.037 -0.502 0.000 0.610 221 A CB -0.769 18.127 19.000 -0.174 0.000 0.837 221 A HN 0.235 nan 8.150 nan 0.000 0.444 222 F N 0.333 120.278 119.950 -0.007 0.000 2.134 222 F HA -0.092 4.436 4.527 0.001 0.000 0.299 222 F C 1.841 177.634 175.800 -0.012 0.000 1.097 222 F CA 1.572 59.612 58.000 0.066 0.000 1.264 222 F CB -0.113 38.975 39.000 0.146 0.000 1.001 222 F HN 0.117 nan 8.300 nan 0.000 0.479 223 L N -0.209 121.138 121.223 0.206 0.000 2.465 223 L HA -0.134 4.206 4.340 0.001 0.000 0.224 223 L C 2.174 179.047 176.870 0.006 0.000 1.145 223 L CA 0.962 55.872 54.840 0.117 0.000 0.834 223 L CB -0.396 41.731 42.059 0.113 0.000 0.944 223 L HN 0.231 nan 8.230 nan 0.000 0.451 224 E N -0.396 119.774 120.200 -0.050 0.000 2.276 224 E HA -0.071 4.279 4.350 0.001 0.000 0.193 224 E C 2.188 178.723 176.600 -0.108 0.000 0.983 224 E CA 0.289 56.655 56.400 -0.057 0.000 0.861 224 E CB 0.220 29.895 29.700 -0.041 0.000 0.817 224 E HN 0.490 nan 8.360 nan 0.000 0.485 225 M N -0.082 119.404 119.600 -0.191 0.000 2.254 225 M HA -0.098 4.382 4.480 0.001 0.000 0.265 225 M C 2.160 178.310 176.300 -0.249 0.000 1.066 225 M CA 0.708 55.850 55.300 -0.263 0.000 1.123 225 M CB 0.168 32.513 32.600 -0.425 0.000 1.388 225 M HN -0.016 nan 8.290 nan 0.000 0.425 226 V N 0.517 120.289 119.914 -0.236 0.000 2.323 226 V HA -0.208 3.912 4.120 0.001 0.000 0.244 226 V C 1.992 178.037 176.094 -0.082 0.000 1.041 226 V CA 1.808 64.014 62.300 -0.157 0.000 1.025 226 V CB -0.583 31.198 31.823 -0.070 0.000 0.656 226 V HN 0.454 nan 8.190 nan 0.000 0.451 227 E N -0.369 119.798 120.200 -0.056 0.000 2.338 227 E HA -0.224 4.127 4.350 0.001 0.000 0.197 227 E C 1.949 178.526 176.600 -0.040 0.000 1.007 227 E CA 0.803 57.184 56.400 -0.031 0.000 0.849 227 E CB 0.033 29.726 29.700 -0.012 0.000 0.774 227 E HN 0.528 nan 8.360 nan 0.000 0.506 228 E N -0.251 119.912 120.200 -0.062 0.000 2.478 228 E HA 0.019 4.370 4.350 0.001 0.000 0.194 228 E C 0.789 177.351 176.600 -0.063 0.000 1.045 228 E CA 0.564 56.928 56.400 -0.060 0.000 0.868 228 E CB 0.266 29.920 29.700 -0.076 0.000 0.885 228 E HN 0.275 nan 8.360 nan 0.000 0.505 229 G N 0.742 109.500 108.800 -0.070 0.000 2.221 229 G HA2 -0.263 3.698 3.960 0.001 0.000 0.265 229 G HA3 -0.263 3.698 3.960 0.001 0.000 0.265 229 G C 0.532 175.387 174.900 -0.075 0.000 1.041 229 G CA 0.627 45.689 45.100 -0.063 0.000 0.807 229 G HN 0.337 nan 8.290 nan 0.000 0.502 230 L N -0.997 120.161 121.223 -0.108 0.000 2.640 230 L HA 0.254 4.594 4.340 0.001 0.000 0.230 230 L C 0.687 177.478 176.870 -0.132 0.000 1.123 230 L CA -0.077 54.695 54.840 -0.114 0.000 0.900 230 L CB 0.500 42.478 42.059 -0.135 0.000 1.146 230 L HN 0.126 nan 8.230 nan 0.000 0.484 231 V N 0.385 120.208 119.914 -0.152 0.000 2.350 231 V HA 0.154 4.275 4.120 0.001 0.000 0.276 231 V C 0.608 176.663 176.094 -0.064 0.000 1.028 231 V CA -0.194 62.016 62.300 -0.150 0.000 0.860 231 V CB 1.384 33.043 31.823 -0.273 0.000 0.990 231 V HN 0.248 nan 8.190 nan 0.000 0.453 232 E N 3.058 123.239 120.200 -0.031 0.000 2.498 232 E HA 0.446 4.797 4.350 0.001 0.000 0.203 232 E C 0.769 177.383 176.600 0.023 0.000 1.013 232 E CA 0.327 56.725 56.400 -0.003 0.000 0.927 232 E CB 1.250 30.948 29.700 -0.003 0.000 1.012 232 E HN 0.885 nan 8.360 nan 0.000 0.482 233 G N 0.364 109.189 108.800 0.041 0.000 2.404 233 G HA2 0.567 4.527 3.960 0.001 0.000 0.298 233 G HA3 0.567 4.527 3.960 0.001 0.000 0.298 233 G C -1.810 173.164 174.900 0.123 0.000 1.577 233 G CA -0.149 44.996 45.100 0.075 0.000 0.847 233 G HN 0.146 nan 8.290 nan 0.000 0.598 234 A N 0.122 123.037 122.820 0.159 0.000 2.608 234 A HA 0.939 5.260 4.320 0.001 0.000 0.292 234 A C -1.140 176.527 177.584 0.139 0.000 1.066 234 A CA -0.495 51.675 52.037 0.221 0.000 0.676 234 A CB 2.269 21.542 19.000 0.454 0.000 1.277 234 A HN 1.366 nan 8.150 nan 0.000 0.413 235 Q N 0.606 120.474 119.800 0.114 0.000 2.391 235 Q HA 0.446 4.786 4.340 0.001 0.000 0.279 235 Q C -1.582 174.429 176.000 0.018 0.000 1.028 235 Q CA -0.492 55.341 55.803 0.050 0.000 0.836 235 Q CB 1.831 30.598 28.738 0.049 0.000 1.414 235 Q HN 0.897 nan 8.270 nan 0.000 0.397 236 D N 2.094 122.480 120.400 -0.022 0.000 2.344 236 D HA 0.214 4.854 4.640 0.001 0.000 0.244 236 D C -0.639 175.648 176.300 -0.021 0.000 1.134 236 D CA -0.261 53.708 54.000 -0.052 0.000 0.930 236 D CB 1.008 41.768 40.800 -0.066 0.000 1.175 236 D HN 0.383 nan 8.370 nan 0.000 0.437 237 L N 1.734 122.937 121.223 -0.034 0.000 2.356 237 L HA 0.434 4.775 4.340 0.001 0.000 0.264 237 L C 0.929 177.795 176.870 -0.007 0.000 1.029 237 L CA -0.091 54.742 54.840 -0.012 0.000 0.897 237 L CB 1.354 43.404 42.059 -0.015 0.000 1.256 237 L HN 0.743 nan 8.230 nan 0.000 0.444 238 G N 1.018 109.828 108.800 0.016 0.000 2.930 238 G HA2 0.543 4.503 3.960 0.001 0.000 0.209 238 G HA3 0.543 4.503 3.960 0.001 0.000 0.209 238 G C -0.037 174.897 174.900 0.057 0.000 2.018 238 G CA 0.240 45.367 45.100 0.044 0.000 0.751 238 G HN 0.573 nan 8.290 nan 0.000 0.770 239 A N -0.633 122.238 122.820 0.086 0.000 2.477 239 A HA 0.505 4.825 4.320 0.001 0.000 0.246 239 A C 1.562 179.169 177.584 0.039 0.000 1.078 239 A CA 1.190 53.274 52.037 0.080 0.000 0.770 239 A CB -0.340 18.761 19.000 0.168 0.000 1.011 239 A HN 2.305 nan 8.150 nan 0.000 0.494 240 G N 1.408 110.218 108.800 0.018 0.000 2.396 240 G HA2 0.070 4.030 3.960 0.001 0.000 0.242 240 G HA3 0.070 4.030 3.960 0.001 0.000 0.242 240 G C 1.827 176.730 174.900 0.006 0.000 1.069 240 G CA 1.035 46.136 45.100 0.002 0.000 0.633 240 G HN 3.011 nan 8.290 nan 0.000 0.517 241 G N -1.003 107.805 108.800 0.014 0.000 2.527 241 G HA2 -0.116 3.844 3.960 0.001 0.000 0.268 241 G HA3 -0.116 3.844 3.960 0.001 0.000 0.268 241 G C 1.228 176.145 174.900 0.028 0.000 1.175 241 G CA 2.176 47.286 45.100 0.017 0.000 0.962 241 G HN 1.528 nan 8.290 nan 0.000 0.560 242 V N 0.661 120.599 119.914 0.039 0.000 2.392 242 V HA -0.151 3.969 4.120 0.001 0.000 0.249 242 V C 2.866 179.015 176.094 0.093 0.000 1.059 242 V CA 2.785 65.124 62.300 0.066 0.000 1.051 242 V CB -0.921 30.943 31.823 0.068 0.000 0.658 242 V HN 0.784 nan 8.190 nan 0.000 0.455 243 L N 0.474 121.742 121.223 0.075 0.000 1.988 243 L HA -0.085 4.255 4.340 0.001 0.000 0.207 243 L C 2.480 179.340 176.870 -0.017 0.000 1.071 243 L CA 2.466 57.352 54.840 0.077 0.000 0.744 243 L CB -0.746 41.322 42.059 0.014 0.000 0.893 243 L HN 0.275 nan 8.230 nan 0.000 0.433 244 S N -1.489 114.193 115.700 -0.030 0.000 2.603 244 S HA 0.124 4.594 4.470 0.001 0.000 0.229 244 S C 1.618 176.209 174.600 -0.015 0.000 0.972 244 S CA 0.717 58.891 58.200 -0.043 0.000 0.935 244 S CB -0.241 62.946 63.200 -0.020 0.000 0.769 244 S HN 0.628 nan 8.310 nan 0.000 0.536 245 A N 0.673 123.501 122.820 0.014 0.000 1.938 245 A HA 0.127 4.447 4.320 0.001 0.000 0.207 245 A C 2.230 179.845 177.584 0.051 0.000 1.292 245 A CA 1.085 53.142 52.037 0.034 0.000 0.700 245 A CB -1.082 17.945 19.000 0.046 0.000 0.947 245 A HN 0.615 nan 8.150 nan 0.000 0.476 246 T N -0.823 113.784 114.554 0.089 0.000 2.951 246 T HA -0.105 4.245 4.350 0.001 0.000 0.268 246 T C 2.009 176.776 174.700 0.113 0.000 1.073 246 T CA 1.826 64.011 62.100 0.143 0.000 1.134 246 T CB -0.528 68.476 68.868 0.227 0.000 0.884 246 T HN 0.572 nan 8.240 nan 0.000 0.479 247 S N 1.712 117.381 115.700 -0.051 0.000 2.395 247 S HA 0.033 4.503 4.470 0.001 0.000 0.225 247 S C 1.910 176.430 174.600 -0.134 0.000 1.027 247 S CA 0.443 58.461 58.200 -0.304 0.000 0.965 247 S CB -0.417 62.387 63.200 -0.660 0.000 0.812 247 S HN 0.589 nan 8.310 nan 0.000 0.482 248 E N 0.588 120.747 120.200 -0.068 0.000 2.481 248 E HA 0.213 4.564 4.350 0.001 0.000 0.195 248 E C 1.574 178.179 176.600 0.008 0.000 1.047 248 E CA 0.131 56.518 56.400 -0.023 0.000 0.867 248 E CB -0.116 29.580 29.700 -0.006 0.000 0.858 248 E HN 0.503 nan 8.360 nan 0.000 0.513 249 L N 0.179 121.416 121.223 0.023 0.000 2.375 249 L HA -0.036 4.304 4.340 0.001 0.000 0.215 249 L C 1.863 178.761 176.870 0.046 0.000 1.108 249 L CA 0.430 55.297 54.840 0.045 0.000 0.830 249 L CB 0.451 42.550 42.059 0.066 0.000 0.959 249 L HN 0.110 nan 8.230 nan 0.000 0.457 250 V N -6.043 113.896 119.914 0.042 0.000 3.477 250 V HA 0.372 4.492 4.120 0.001 0.000 0.297 250 V C 1.808 177.922 176.094 0.033 0.000 1.433 250 V CA 0.584 62.913 62.300 0.049 0.000 1.052 250 V CB 0.173 32.043 31.823 0.079 0.000 0.895 250 V HN 0.126 nan 8.190 nan 0.000 0.438 251 A N 0.956 123.784 122.820 0.014 0.000 2.021 251 A HA 0.163 4.483 4.320 0.001 0.000 0.216 251 A C 2.029 179.625 177.584 0.020 0.000 1.163 251 A CA 1.040 53.083 52.037 0.011 0.000 0.676 251 A CB -0.200 18.796 19.000 -0.006 0.000 0.818 251 A HN 0.523 nan 8.150 nan 0.000 0.453 252 K N -0.555 119.857 120.400 0.020 0.000 2.404 252 K HA 0.138 4.459 4.320 0.001 0.000 0.194 252 K C 1.240 177.854 176.600 0.022 0.000 1.023 252 K CA 0.463 56.762 56.287 0.019 0.000 1.094 252 K CB 0.298 32.809 32.500 0.017 0.000 0.841 252 K HN 0.385 nan 8.250 nan 0.000 0.523 253 G N 0.129 108.945 108.800 0.027 0.000 3.079 253 G HA2 -0.049 3.911 3.960 0.001 0.000 0.233 253 G HA3 -0.049 3.911 3.960 0.001 0.000 0.233 253 G C 0.280 175.198 174.900 0.030 0.000 1.062 253 G CA -0.323 44.794 45.100 0.028 0.000 0.809 253 G HN 0.219 nan 8.290 nan 0.000 0.535 254 N N -0.697 118.022 118.700 0.031 0.000 2.800 254 N HA -0.134 4.606 4.740 0.001 0.000 0.250 254 N C 0.310 175.843 175.510 0.038 0.000 1.078 254 N CA 0.863 53.932 53.050 0.033 0.000 0.804 254 N CB -1.026 37.478 38.487 0.029 0.000 1.135 254 N HN 0.330 nan 8.380 nan 0.000 0.565 255 L N -0.824 120.424 121.223 0.042 0.000 2.687 255 L HA 0.782 5.122 4.340 0.001 0.000 0.252 255 L C 1.439 178.348 176.870 0.064 0.000 1.115 255 L CA -0.454 54.415 54.840 0.049 0.000 0.893 255 L CB 0.956 43.042 42.059 0.046 0.000 1.670 255 L HN 0.020 nan 8.230 nan 0.000 0.531 256 G N -1.284 107.560 108.800 0.073 0.000 3.140 256 G HA2 0.813 4.773 3.960 0.001 0.000 0.271 256 G HA3 0.813 4.773 3.960 0.001 0.000 0.271 256 G C -1.927 173.039 174.900 0.110 0.000 1.370 256 G CA -0.245 44.916 45.100 0.102 0.000 1.014 256 G HN 0.796 nan 8.290 nan 0.000 0.541 257 A N -0.856 122.040 122.820 0.128 0.000 2.594 257 A HA 0.645 4.966 4.320 0.001 0.000 0.296 257 A C -1.362 176.209 177.584 -0.022 0.000 1.061 257 A CA -0.548 51.540 52.037 0.085 0.000 0.689 257 A CB 0.996 20.087 19.000 0.150 0.000 1.280 257 A HN 0.733 nan 8.150 nan 0.000 0.406 258 I N 2.058 122.598 120.570 -0.050 0.000 2.354 258 I HA 0.427 4.597 4.170 0.001 0.000 0.286 258 I C -0.621 175.390 176.117 -0.176 0.000 1.007 258 I CA -0.890 60.322 61.300 -0.148 0.000 1.167 258 I CB 1.583 39.515 38.000 -0.112 0.000 1.320 258 I HN 0.288 nan 8.210 nan 0.000 0.458 259 V N 5.424 125.175 119.914 -0.273 0.000 2.394 259 V HA 0.272 4.393 4.120 0.001 0.000 0.282 259 V C 0.079 176.048 176.094 -0.207 0.000 1.031 259 V CA -0.587 61.609 62.300 -0.173 0.000 0.881 259 V CB 0.864 32.582 31.823 -0.176 0.000 0.982 259 V HN 0.581 nan 8.190 nan 0.000 0.451 260 H N 5.867 124.925 119.070 -0.020 0.000 2.641 260 H HA 0.338 4.894 4.556 0.001 0.000 0.295 260 H C 0.483 175.825 175.328 0.023 0.000 1.070 260 H CA -0.326 55.718 56.048 -0.005 0.000 1.257 260 H CB 1.727 31.477 29.762 -0.020 0.000 1.393 260 H HN 0.555 nan 8.280 nan 0.000 0.464 261 L N 1.904 123.223 121.223 0.159 0.000 2.599 261 L HA -0.073 4.267 4.340 0.001 0.000 0.230 261 L C 1.930 178.919 176.870 0.197 0.000 1.141 261 L CA 0.436 55.389 54.840 0.189 0.000 0.877 261 L CB -0.024 42.174 42.059 0.232 0.000 1.009 261 L HN 0.619 nan 8.230 nan 0.000 0.447 262 D N -0.457 119.972 120.400 0.049 0.000 2.347 262 D HA -0.136 4.505 4.640 0.001 0.000 0.213 262 D C 1.595 177.869 176.300 -0.043 0.000 0.985 262 D CA 0.309 54.223 54.000 -0.143 0.000 0.879 262 D CB 0.105 40.659 40.800 -0.410 0.000 0.919 262 D HN 0.212 nan 8.370 nan 0.000 0.526 263 R N 0.782 121.290 120.500 0.013 0.000 2.334 263 R HA 0.202 4.542 4.340 0.001 0.000 0.216 263 R C 0.153 176.484 176.300 0.051 0.000 0.905 263 R CA -0.133 55.977 56.100 0.018 0.000 1.064 263 R CB 0.471 30.780 30.300 0.014 0.000 1.046 263 R HN 0.107 nan 8.270 nan 0.000 0.508 264 V N 3.606 123.561 119.914 0.068 0.000 2.488 264 V HA 0.155 4.275 4.120 0.001 0.000 0.277 264 V C -2.077 174.057 176.094 0.066 0.000 1.046 264 V CA -1.661 60.685 62.300 0.078 0.000 0.986 264 V CB 1.152 33.023 31.823 0.081 0.000 0.989 264 V HN -0.047 nan 8.190 nan 0.000 0.475 265 P HA 0.141 nan 4.420 nan 0.000 0.257 265 P C -0.696 176.623 177.300 0.032 0.000 1.227 265 P CA 0.027 63.167 63.100 0.066 0.000 0.981 265 P CB -0.005 31.788 31.700 0.155 0.000 1.044 266 L N 2.694 123.917 121.223 0.000 0.000 2.375 266 L HA 0.393 4.733 4.340 0.001 0.000 0.271 266 L C 1.943 178.785 176.870 -0.047 0.000 1.107 266 L CA 0.045 54.879 54.840 -0.010 0.000 0.806 266 L CB 0.659 42.719 42.059 0.002 0.000 1.146 266 L HN 0.225 nan 8.230 nan 0.000 0.447 267 R N 0.558 121.037 120.500 -0.035 0.000 2.123 267 R HA 0.165 4.505 4.340 0.001 0.000 0.209 267 R C -0.218 176.058 176.300 -0.040 0.000 1.078 267 R CA 0.424 56.497 56.100 -0.044 0.000 1.028 267 R CB 0.502 30.793 30.300 -0.015 0.000 0.939 267 R HN 0.724 nan 8.270 nan 0.000 0.463 268 E N 1.688 121.869 120.200 -0.031 0.000 2.149 268 E HA 0.166 4.516 4.350 0.001 0.000 0.255 268 E C -2.081 174.505 176.600 -0.023 0.000 0.888 268 E CA -1.959 54.425 56.400 -0.028 0.000 0.742 268 E CB 1.935 31.617 29.700 -0.030 0.000 1.164 268 E HN 0.197 nan 8.360 nan 0.000 0.422 269 P HA -0.195 nan 4.420 nan 0.000 0.226 269 P C 0.008 177.318 177.300 0.016 0.000 1.146 269 P CA 1.043 64.147 63.100 0.006 0.000 0.773 269 P CB 0.167 31.869 31.700 0.004 0.000 0.772 270 D N -1.236 119.161 120.400 -0.004 0.000 2.519 270 D HA 0.066 4.706 4.640 0.001 0.000 0.238 270 D C 0.359 176.635 176.300 -0.041 0.000 1.192 270 D CA -0.096 53.898 54.000 -0.010 0.000 0.835 270 D CB -0.197 40.596 40.800 -0.011 0.000 0.975 270 D HN 0.214 nan 8.370 nan 0.000 0.490 271 M N 1.064 120.630 119.600 -0.057 0.000 2.233 271 M HA 0.185 4.665 4.480 0.001 0.000 0.355 271 M C 0.109 176.301 176.300 -0.179 0.000 1.191 271 M CA -0.380 54.843 55.300 -0.128 0.000 1.101 271 M CB 1.921 34.443 32.600 -0.130 0.000 1.592 271 M HN -0.132 nan 8.290 nan 0.000 0.461 272 E N 3.223 123.275 120.200 -0.248 0.000 2.331 272 E HA 0.111 4.461 4.350 0.001 0.000 0.272 272 E C -1.784 174.613 176.600 -0.337 0.000 1.036 272 E CA -1.666 54.583 56.400 -0.252 0.000 0.864 272 E CB 0.667 30.297 29.700 -0.117 0.000 1.035 272 E HN 0.371 nan 8.360 nan 0.000 0.408 273 P HA -0.249 nan 4.420 nan 0.000 0.219 273 P C 0.838 178.105 177.300 -0.054 0.000 1.151 273 P CA 1.405 64.353 63.100 -0.253 0.000 0.850 273 P CB -0.028 31.526 31.700 -0.243 0.000 0.784 274 W N -0.252 121.006 121.300 -0.070 0.000 2.476 274 W HA 0.062 4.723 4.660 0.000 0.000 0.281 274 W C 1.242 177.735 176.519 -0.043 0.000 1.230 274 W CA 0.693 58.008 57.345 -0.050 0.000 1.287 274 W CB -1.158 28.277 29.460 -0.041 0.000 1.108 274 W HN 0.044 nan 8.180 nan 0.000 0.567 275 E N 1.113 120.821 120.200 -0.820 0.000 2.208 275 E HA -0.097 4.254 4.350 0.001 0.000 0.193 275 E C 2.203 178.607 176.600 -0.328 0.000 0.988 275 E CA 1.232 57.152 56.400 -0.800 0.000 0.828 275 E CB -0.166 28.968 29.700 -0.944 0.000 0.763 275 E HN 0.304 nan 8.360 nan 0.000 0.478 276 I N 0.264 120.705 120.570 -0.215 0.000 2.500 276 I HA -0.180 3.990 4.170 0.001 0.000 0.252 276 I C 2.169 178.268 176.117 -0.031 0.000 1.142 276 I CA 0.335 61.582 61.300 -0.087 0.000 1.451 276 I CB 0.035 38.018 38.000 -0.029 0.000 1.093 276 I HN 0.134 nan 8.210 nan 0.000 0.430 277 L N 0.514 121.729 121.223 -0.014 0.000 2.049 277 L HA -0.011 4.330 4.340 0.001 0.000 0.203 277 L C 2.044 178.931 176.870 0.028 0.000 1.074 277 L CA 1.651 56.510 54.840 0.032 0.000 0.749 277 L CB -0.213 41.883 42.059 0.061 0.000 0.907 277 L HN 0.062 nan 8.230 nan 0.000 0.439 278 I N -0.736 119.852 120.570 0.029 0.000 3.564 278 I HA 0.027 4.198 4.170 0.001 0.000 0.294 278 I C 1.062 177.178 176.117 -0.001 0.000 1.289 278 I CA 0.186 61.508 61.300 0.037 0.000 1.325 278 I CB -0.431 37.647 38.000 0.130 0.000 1.039 278 I HN 0.161 nan 8.210 nan 0.000 0.474 279 S N 1.220 116.900 115.700 -0.032 0.000 2.509 279 S HA -0.004 4.466 4.470 0.001 0.000 0.287 279 S C 0.824 175.418 174.600 -0.011 0.000 1.248 279 S CA -0.024 58.154 58.200 -0.038 0.000 1.089 279 S CB -0.126 63.048 63.200 -0.044 0.000 0.900 279 S HN 0.407 nan 8.310 nan 0.000 0.496 280 E N 3.515 123.711 120.200 -0.007 0.000 2.405 280 E HA 0.138 4.488 4.350 0.001 0.000 0.214 280 E C -0.295 176.308 176.600 0.005 0.000 1.101 280 E CA -0.237 56.165 56.400 0.003 0.000 1.254 280 E CB 0.472 30.175 29.700 0.004 0.000 1.240 280 E HN 0.473 nan 8.360 nan 0.000 0.439 281 S N 1.548 117.249 115.700 0.002 0.000 2.564 281 S HA 0.078 4.549 4.470 0.001 0.000 0.278 281 S C 0.409 175.012 174.600 0.004 0.000 1.333 281 S CA -0.176 58.028 58.200 0.007 0.000 1.048 281 S CB 1.046 64.252 63.200 0.010 0.000 0.900 281 S HN 0.274 nan 8.310 nan 0.000 0.505 282 Q N 0.908 120.712 119.800 0.007 0.000 2.222 282 Q HA 0.254 4.594 4.340 0.001 0.000 0.211 282 Q C -0.101 175.891 176.000 -0.013 0.000 1.013 282 Q CA -0.450 55.350 55.803 -0.005 0.000 0.993 282 Q CB 0.299 29.040 28.738 0.004 0.000 1.151 282 Q HN 0.665 nan 8.270 nan 0.000 0.544 283 E N -0.550 119.630 120.200 -0.034 0.000 3.070 283 E HA -0.210 4.140 4.350 0.001 0.000 0.285 283 E C -1.010 175.502 176.600 -0.146 0.000 0.972 283 E CA 0.795 57.151 56.400 -0.073 0.000 0.915 283 E CB -0.774 28.898 29.700 -0.047 0.000 1.466 283 E HN 0.319 nan 8.360 nan 0.000 0.432 284 R N -0.437 119.982 120.500 -0.135 0.000 2.668 284 R HA 0.677 5.017 4.340 0.001 0.000 0.279 284 R C 0.035 176.200 176.300 -0.226 0.000 0.976 284 R CA -0.718 55.274 56.100 -0.179 0.000 0.978 284 R CB 1.054 31.308 30.300 -0.077 0.000 1.133 284 R HN -0.034 nan 8.270 nan 0.000 0.484 285 M N 0.599 120.015 119.600 -0.307 0.000 2.575 285 M HA 0.507 4.987 4.480 0.001 0.000 0.284 285 M C -1.499 174.816 176.300 0.026 0.000 1.253 285 M CA -0.726 54.449 55.300 -0.208 0.000 0.861 285 M CB 2.464 34.830 32.600 -0.391 0.000 1.733 285 M HN 0.742 nan 8.290 nan 0.000 0.462 286 A N 2.305 125.211 122.820 0.143 0.000 2.343 286 A HA 0.818 5.138 4.320 0.001 0.000 0.316 286 A C -1.276 176.478 177.584 0.283 0.000 1.104 286 A CA -0.555 51.604 52.037 0.203 0.000 0.768 286 A CB 1.221 20.299 19.000 0.130 0.000 1.213 286 A HN 0.526 nan 8.150 nan 0.000 0.456 287 V N 2.552 122.625 119.914 0.264 0.000 2.656 287 V HA 0.464 4.585 4.120 0.001 0.000 0.307 287 V C -0.488 175.670 176.094 0.106 0.000 1.051 287 V CA -0.625 61.792 62.300 0.196 0.000 0.893 287 V CB 1.901 33.798 31.823 0.123 0.000 0.999 287 V HN 0.659 nan 8.190 nan 0.000 0.426 288 V N 3.580 123.540 119.914 0.076 0.000 2.347 288 V HA 0.715 4.835 4.120 0.001 0.000 0.280 288 V C 0.182 176.285 176.094 0.016 0.000 1.021 288 V CA 0.066 62.397 62.300 0.051 0.000 0.847 288 V CB 1.343 33.200 31.823 0.056 0.000 0.990 288 V HN 1.028 nan 8.190 nan 0.000 0.444 289 T N 2.939 117.496 114.554 0.005 0.000 2.778 289 T HA 0.486 4.836 4.350 0.001 0.000 0.293 289 T C -0.387 174.308 174.700 -0.008 0.000 1.144 289 T CA -0.319 61.771 62.100 -0.016 0.000 1.010 289 T CB 2.100 70.941 68.868 -0.046 0.000 1.325 289 T HN 0.536 nan 8.240 nan 0.000 0.515 290 S N 2.702 118.393 115.700 -0.016 0.000 2.586 290 S HA 0.373 4.844 4.470 0.001 0.000 0.274 290 S C -1.574 173.017 174.600 -0.015 0.000 1.281 290 S CA -1.143 57.051 58.200 -0.011 0.000 1.035 290 S CB 1.509 64.701 63.200 -0.012 0.000 0.962 290 S HN 0.642 nan 8.310 nan 0.000 0.512 291 P HA -0.128 nan 4.420 nan 0.000 0.229 291 P C 0.338 177.627 177.300 -0.018 0.000 1.150 291 P CA 1.060 64.153 63.100 -0.013 0.000 0.765 291 P CB 0.194 31.889 31.700 -0.008 0.000 0.783 292 Q N -0.311 119.478 119.800 -0.019 0.000 2.376 292 Q HA 0.082 4.423 4.340 0.001 0.000 0.206 292 Q C 1.674 177.658 176.000 -0.028 0.000 0.921 292 Q CA 0.710 56.501 55.803 -0.021 0.000 0.911 292 Q CB 0.083 28.811 28.738 -0.018 0.000 1.032 292 Q HN 0.272 nan 8.270 nan 0.000 0.510 293 K N -0.116 120.264 120.400 -0.033 0.000 2.387 293 K HA 0.270 4.590 4.320 0.001 0.000 0.198 293 K C 1.099 177.665 176.600 -0.056 0.000 1.022 293 K CA 0.250 56.510 56.287 -0.045 0.000 1.128 293 K CB 0.675 33.145 32.500 -0.049 0.000 0.853 293 K HN 0.066 nan 8.250 nan 0.000 0.523 294 A N 0.990 123.782 122.820 -0.047 0.000 2.081 294 A HA -0.056 4.265 4.320 0.001 0.000 0.214 294 A C 2.048 179.601 177.584 -0.052 0.000 1.158 294 A CA 0.870 52.876 52.037 -0.052 0.000 0.724 294 A CB -0.104 18.875 19.000 -0.035 0.000 0.826 294 A HN 0.276 nan 8.150 nan 0.000 0.463 295 S N -0.881 114.794 115.700 -0.042 0.000 2.453 295 S HA 0.003 4.473 4.470 0.001 0.000 0.231 295 S C 1.857 176.431 174.600 -0.043 0.000 1.005 295 S CA 0.675 58.853 58.200 -0.036 0.000 0.949 295 S CB -0.197 62.986 63.200 -0.028 0.000 0.774 295 S HN 0.456 nan 8.310 nan 0.000 0.510 296 R N 0.197 120.665 120.500 -0.054 0.000 2.265 296 R HA 0.406 4.746 4.340 0.001 0.000 0.194 296 R C 1.842 178.089 176.300 -0.088 0.000 0.931 296 R CA 0.248 56.312 56.100 -0.060 0.000 1.032 296 R CB -0.211 30.055 30.300 -0.057 0.000 0.980 296 R HN 0.494 nan 8.270 nan 0.000 0.497 297 I N 0.504 121.006 120.570 -0.114 0.000 2.584 297 I HA -0.139 4.031 4.170 0.001 0.000 0.255 297 I C 1.720 177.719 176.117 -0.196 0.000 1.145 297 I CA 0.672 61.861 61.300 -0.184 0.000 1.462 297 I CB 0.245 38.120 38.000 -0.207 0.000 1.102 297 I HN 0.093 nan 8.210 nan 0.000 0.433 298 L N -0.099 121.052 121.223 -0.120 0.000 2.240 298 L HA -0.109 4.231 4.340 0.001 0.000 0.211 298 L C 2.089 178.930 176.870 -0.048 0.000 1.106 298 L CA 0.973 55.766 54.840 -0.079 0.000 0.793 298 L CB -0.492 41.548 42.059 -0.032 0.000 0.927 298 L HN 0.234 nan 8.230 nan 0.000 0.446 299 E N 0.394 120.567 120.200 -0.045 0.000 2.208 299 E HA -0.124 4.226 4.350 0.001 0.000 0.193 299 E C 2.214 178.809 176.600 -0.008 0.000 0.988 299 E CA 0.797 57.185 56.400 -0.020 0.000 0.828 299 E CB 0.127 29.815 29.700 -0.021 0.000 0.763 299 E HN 0.511 nan 8.360 nan 0.000 0.478 300 I N 0.585 121.134 120.570 -0.036 0.000 2.500 300 I HA -0.142 4.028 4.170 0.001 0.000 0.252 300 I C 2.402 178.559 176.117 0.068 0.000 1.142 300 I CA 0.476 61.784 61.300 0.013 0.000 1.451 300 I CB -0.100 37.850 38.000 -0.083 0.000 1.093 300 I HN 0.060 nan 8.210 nan 0.000 0.430 301 A N 0.836 123.631 122.820 -0.042 0.000 1.872 301 A HA -0.172 4.148 4.320 0.001 0.000 0.214 301 A C 2.381 179.999 177.584 0.056 0.000 1.187 301 A CA 1.278 53.322 52.037 0.012 0.000 0.614 301 A CB -0.510 18.475 19.000 -0.025 0.000 0.826 301 A HN 0.236 nan 8.150 nan 0.000 0.442 302 R N -0.395 120.128 120.500 0.039 0.000 2.193 302 R HA -0.072 4.268 4.340 0.001 0.000 0.229 302 R C 2.164 178.479 176.300 0.025 0.000 1.110 302 R CA 1.462 57.586 56.100 0.041 0.000 0.988 302 R CB -0.117 30.214 30.300 0.051 0.000 0.871 302 R HN 0.544 nan 8.270 nan 0.000 0.458 303 K N -0.777 119.642 120.400 0.032 0.000 2.167 303 K HA -0.100 4.220 4.320 0.001 0.000 0.203 303 K C 0.387 176.904 176.600 -0.138 0.000 1.052 303 K CA 1.157 57.422 56.287 -0.036 0.000 0.956 303 K CB 0.198 32.685 32.500 -0.022 0.000 0.735 303 K HN 0.302 nan 8.250 nan 0.000 0.451 304 H N 0.008 119.056 119.070 -0.036 0.000 2.537 304 H HA 0.196 4.752 4.556 0.001 0.000 0.295 304 H C -0.364 174.897 175.328 -0.111 0.000 1.054 304 H CA 0.050 56.065 56.048 -0.055 0.000 1.156 304 H CB 0.282 30.023 29.762 -0.036 0.000 1.468 304 H HN 0.080 nan 8.280 nan 0.000 0.551 305 L N -1.207 119.990 121.223 -0.043 0.000 4.625 305 L HA -0.275 4.066 4.340 0.001 0.000 0.428 305 L C -0.444 176.197 176.870 -0.383 0.000 1.129 305 L CA 0.706 55.475 54.840 -0.119 0.000 0.978 305 L CB -1.810 40.218 42.059 -0.052 0.000 2.043 305 L HN 0.276 nan 8.230 nan 0.000 0.847 306 L N -1.173 119.851 121.223 -0.332 0.000 2.375 306 L HA 0.595 4.936 4.340 0.001 0.000 0.268 306 L C 0.157 176.733 176.870 -0.490 0.000 1.058 306 L CA -0.602 53.922 54.840 -0.525 0.000 0.803 306 L CB 0.857 42.861 42.059 -0.091 0.000 1.212 306 L HN -0.159 nan 8.230 nan 0.000 0.451 307 F N -0.274 119.750 119.950 0.124 0.000 2.469 307 F HA 0.780 5.307 4.527 0.001 0.000 0.332 307 F C 0.639 176.529 175.800 0.150 0.000 1.103 307 F CA -0.706 57.358 58.000 0.107 0.000 0.979 307 F CB 1.944 40.987 39.000 0.073 0.000 1.137 307 F HN 0.410 nan 8.300 nan 0.000 0.463 308 G N 1.454 110.427 108.800 0.289 0.000 2.673 308 G HA2 0.508 4.468 3.960 0.001 0.000 0.292 308 G HA3 0.508 4.468 3.960 0.001 0.000 0.292 308 G C -2.597 172.390 174.900 0.145 0.000 1.450 308 G CA -0.517 44.723 45.100 0.233 0.000 0.837 308 G HN 0.592 nan 8.290 nan 0.000 0.505 309 D N -1.286 119.187 120.400 0.121 0.000 2.639 309 D HA 0.477 5.117 4.640 0.001 0.000 0.271 309 D C -0.738 175.601 176.300 0.066 0.000 1.254 309 D CA -0.341 53.701 54.000 0.071 0.000 0.810 309 D CB 2.372 43.208 40.800 0.059 0.000 1.351 309 D HN 0.326 nan 8.370 nan 0.000 0.427 310 V N 2.012 121.947 119.914 0.035 0.000 2.488 310 V HA 0.220 4.341 4.120 0.001 0.000 0.277 310 V C 1.259 177.381 176.094 0.046 0.000 1.046 310 V CA 0.091 62.412 62.300 0.034 0.000 0.986 310 V CB 0.989 32.816 31.823 0.006 0.000 0.989 310 V HN 0.550 nan 8.190 nan 0.000 0.475 311 V N 2.276 122.236 119.914 0.077 0.000 3.090 311 V HA 0.680 4.800 4.120 0.001 0.000 0.237 311 V C 0.692 176.870 176.094 0.140 0.000 1.209 311 V CA 0.695 63.057 62.300 0.104 0.000 1.209 311 V CB 0.171 32.056 31.823 0.103 0.000 0.971 311 V HN 0.795 nan 8.190 nan 0.000 0.477 312 A N 0.019 122.908 122.820 0.115 0.000 2.386 312 A HA 0.863 5.183 4.320 0.001 0.000 0.308 312 A C -0.919 176.726 177.584 0.102 0.000 1.128 312 A CA -0.656 51.447 52.037 0.111 0.000 0.789 312 A CB 1.682 20.733 19.000 0.084 0.000 1.325 312 A HN 0.482 nan 8.150 nan 0.000 0.437 313 E N 0.068 120.324 120.200 0.094 0.000 2.210 313 E HA 0.490 4.840 4.350 0.001 0.000 0.266 313 E C -1.354 175.283 176.600 0.062 0.000 0.883 313 E CA -0.671 55.775 56.400 0.076 0.000 0.761 313 E CB 2.282 32.035 29.700 0.089 0.000 1.156 313 E HN 0.363 nan 8.360 nan 0.000 0.412 314 V N 5.245 125.192 119.914 0.056 0.000 2.408 314 V HA 0.259 4.379 4.120 0.001 0.000 0.267 314 V C 0.358 176.480 176.094 0.046 0.000 1.047 314 V CA -0.216 62.117 62.300 0.055 0.000 0.937 314 V CB -0.517 31.337 31.823 0.052 0.000 0.999 314 V HN 0.517 nan 8.190 nan 0.000 0.472 315 I N 1.376 121.975 120.570 0.047 0.000 3.204 315 I HA 0.561 4.732 4.170 0.001 0.000 0.313 315 I C 1.147 177.288 176.117 0.039 0.000 1.082 315 I CA -0.579 60.745 61.300 0.039 0.000 1.033 315 I CB 1.177 39.198 38.000 0.036 0.000 1.304 315 I HN 0.467 nan 8.210 nan 0.000 0.536 316 E N 0.333 120.553 120.200 0.034 0.000 2.140 316 E HA -0.029 4.321 4.350 0.001 0.000 0.191 316 E C 0.547 177.168 176.600 0.035 0.000 0.973 316 E CA 0.125 56.544 56.400 0.032 0.000 0.829 316 E CB 0.306 30.022 29.700 0.026 0.000 0.781 316 E HN 0.659 nan 8.360 nan 0.000 0.466 317 E N 2.314 122.535 120.200 0.036 0.000 2.351 317 E HA 0.010 4.361 4.350 0.001 0.000 0.266 317 E C -2.114 174.515 176.600 0.050 0.000 1.031 317 E CA -1.866 54.557 56.400 0.039 0.000 0.911 317 E CB 0.750 30.471 29.700 0.035 0.000 0.986 317 E HN 0.046 nan 8.360 nan 0.000 0.446 318 P HA -0.006 nan 4.420 nan 0.000 0.237 318 P C -0.724 176.622 177.300 0.077 0.000 1.701 318 P CA 0.296 63.433 63.100 0.062 0.000 0.955 318 P CB -0.012 31.720 31.700 0.053 0.000 1.937 319 V N 2.112 122.080 119.914 0.090 0.000 2.914 319 V HA 0.456 4.577 4.120 0.001 0.000 0.314 319 V C -1.581 174.616 176.094 0.171 0.000 1.084 319 V CA -1.199 61.169 62.300 0.113 0.000 0.963 319 V CB 2.828 34.697 31.823 0.078 0.000 1.025 319 V HN 0.071 nan 8.190 nan 0.000 0.432 320 Y N 5.519 125.828 120.300 0.016 0.000 2.402 320 Y HA 0.610 5.160 4.550 0.001 0.000 0.332 320 Y C 0.027 175.924 175.900 -0.006 0.000 0.960 320 Y CA -0.536 57.565 58.100 0.002 0.000 1.228 320 Y CB 0.796 39.251 38.460 -0.007 0.000 1.120 320 Y HN 0.615 nan 8.280 nan 0.000 0.491 321 R N 4.934 125.300 120.500 -0.223 0.000 2.338 321 R HA 0.702 5.042 4.340 0.001 0.000 0.317 321 R C -1.784 174.282 176.300 -0.389 0.000 0.968 321 R CA -0.612 55.349 56.100 -0.230 0.000 0.849 321 R CB 1.049 31.266 30.300 -0.138 0.000 1.128 321 R HN 0.515 nan 8.270 nan 0.000 0.448 322 V N 6.549 126.277 119.914 -0.309 0.000 2.444 322 V HA 0.479 4.600 4.120 0.001 0.000 0.294 322 V C -0.085 175.926 176.094 -0.140 0.000 1.022 322 V CA -0.639 61.497 62.300 -0.273 0.000 0.850 322 V CB 1.542 33.218 31.823 -0.245 0.000 0.992 322 V HN 0.816 nan 8.190 nan 0.000 0.426 323 M N 3.891 123.415 119.600 -0.127 0.000 2.618 323 M HA 0.653 5.133 4.480 0.001 0.000 0.281 323 M C -1.950 174.399 176.300 0.081 0.000 1.267 323 M CA -0.934 54.346 55.300 -0.034 0.000 0.845 323 M CB 2.891 35.439 32.600 -0.086 0.000 1.732 323 M HN 0.518 nan 8.290 nan 0.000 0.461 324 Y N 1.562 121.854 120.300 -0.013 0.000 2.388 324 Y HA 0.498 5.049 4.550 0.001 0.000 0.328 324 Y C 0.826 176.753 175.900 0.045 0.000 0.963 324 Y CA 0.083 58.198 58.100 0.025 0.000 1.240 324 Y CB 0.971 39.445 38.460 0.024 0.000 1.118 324 Y HN 1.051 nan 8.280 nan 0.000 0.484 325 R N 1.853 122.326 120.500 -0.045 0.000 3.902 325 R HA -0.395 3.945 4.340 0.001 0.000 0.356 325 R C 0.416 176.752 176.300 0.060 0.000 0.284 325 R CA 2.600 58.688 56.100 -0.020 0.000 1.171 325 R CB -1.120 29.105 30.300 -0.124 0.000 0.939 325 R HN 0.761 nan 8.270 nan 0.000 0.580 326 N N 0.539 119.266 118.700 0.045 0.000 2.414 326 N HA 0.062 4.802 4.740 0.001 0.000 0.177 326 N C -0.571 174.970 175.510 0.051 0.000 1.062 326 N CA 0.615 53.693 53.050 0.047 0.000 0.890 326 N CB 0.333 38.840 38.487 0.034 0.000 1.070 326 N HN 0.293 nan 8.380 nan 0.000 0.454 327 D N 0.757 121.203 120.400 0.077 0.000 2.175 327 D HA 0.302 4.942 4.640 0.001 0.000 0.248 327 D C -0.306 176.036 176.300 0.071 0.000 1.047 327 D CA -0.418 53.627 54.000 0.075 0.000 0.883 327 D CB 1.817 42.673 40.800 0.094 0.000 1.180 327 D HN -0.107 nan 8.370 nan 0.000 0.438 328 L N 2.045 123.293 121.223 0.043 0.000 2.416 328 L HA 0.386 4.727 4.340 0.001 0.000 0.262 328 L C 0.711 177.602 176.870 0.035 0.000 1.093 328 L CA 0.054 54.909 54.840 0.024 0.000 0.801 328 L CB 1.555 43.618 42.059 0.007 0.000 1.191 328 L HN 0.428 nan 8.230 nan 0.000 0.459 329 V N -0.156 119.773 119.914 0.024 0.000 3.305 329 V HA 0.454 4.574 4.120 0.001 0.000 0.247 329 V C 0.114 176.225 176.094 0.028 0.000 1.426 329 V CA -0.155 62.166 62.300 0.036 0.000 1.162 329 V CB 0.143 31.994 31.823 0.047 0.000 0.961 329 V HN 0.676 nan 8.190 nan 0.000 0.449 330 M N 0.625 120.230 119.600 0.007 0.000 2.414 330 M HA 0.610 5.090 4.480 0.001 0.000 0.287 330 M C -2.366 173.934 176.300 -0.001 0.000 1.181 330 M CA -0.115 55.195 55.300 0.016 0.000 0.933 330 M CB 2.788 35.404 32.600 0.027 0.000 1.732 330 M HN 0.328 nan 8.290 nan 0.000 0.486 331 E N 3.831 124.052 120.200 0.034 0.000 2.313 331 E HA 0.618 4.969 4.350 0.001 0.000 0.280 331 E C -2.070 174.583 176.600 0.089 0.000 0.898 331 E CA -0.646 55.780 56.400 0.043 0.000 0.803 331 E CB 2.085 31.796 29.700 0.018 0.000 1.286 331 E HN 0.605 nan 8.360 nan 0.000 0.401 332 V N 0.673 120.672 119.914 0.141 0.000 3.147 332 V HA 0.650 4.771 4.120 0.001 0.000 0.306 332 V C -2.811 173.383 176.094 0.167 0.000 1.209 332 V CA -2.539 59.857 62.300 0.160 0.000 1.023 332 V CB 1.425 33.396 31.823 0.246 0.000 1.059 332 V HN 0.500 nan 8.190 nan 0.000 0.435 333 P HA 0.162 nan 4.420 nan 0.000 0.268 333 P C 0.840 178.214 177.300 0.123 0.000 1.205 333 P CA 0.247 63.420 63.100 0.122 0.000 0.771 333 P CB 1.274 33.035 31.700 0.102 0.000 0.858 334 V N 3.127 123.101 119.914 0.101 0.000 2.343 334 V HA -0.248 3.872 4.120 0.001 0.000 0.247 334 V C 1.762 177.874 176.094 0.030 0.000 1.051 334 V CA 1.960 64.283 62.300 0.039 0.000 1.036 334 V CB -0.722 31.132 31.823 0.053 0.000 0.654 334 V HN 0.502 nan 8.190 nan 0.000 0.451 335 Q N -0.615 119.228 119.800 0.071 0.000 2.436 335 Q HA -0.054 4.286 4.340 0.001 0.000 0.209 335 Q C 1.880 177.974 176.000 0.156 0.000 0.965 335 Q CA 0.929 56.786 55.803 0.090 0.000 0.910 335 Q CB -0.394 28.393 28.738 0.080 0.000 0.980 335 Q HN 0.593 nan 8.270 nan 0.000 0.491 336 L N -0.337 121.002 121.223 0.193 0.000 2.554 336 L HA 0.024 4.364 4.340 0.001 0.000 0.226 336 L C 1.463 178.621 176.870 0.479 0.000 1.137 336 L CA 0.888 55.922 54.840 0.324 0.000 0.863 336 L CB -0.010 42.204 42.059 0.258 0.000 0.985 336 L HN 0.071 nan 8.230 nan 0.000 0.451 337 L N -1.638 119.738 121.223 0.255 0.000 2.349 337 L HA 0.232 4.573 4.340 0.001 0.000 0.200 337 L C 2.460 179.442 176.870 0.188 0.000 1.064 337 L CA 0.877 55.779 54.840 0.105 0.000 0.821 337 L CB -0.712 41.193 42.059 -0.257 0.000 1.027 337 L HN 0.128 nan 8.230 nan 0.000 0.476 338 A N -0.530 122.356 122.820 0.110 0.000 2.014 338 A HA -0.022 4.298 4.320 0.001 0.000 0.218 338 A C 0.795 178.471 177.584 0.152 0.000 1.163 338 A CA 0.848 52.944 52.037 0.099 0.000 0.652 338 A CB -0.386 18.639 19.000 0.042 0.000 0.808 338 A HN 0.375 nan 8.150 nan 0.000 0.449 339 N N 0.731 119.548 118.700 0.194 0.000 2.485 339 N HA 0.484 5.224 4.740 0.001 0.000 0.243 339 N C -0.391 175.195 175.510 0.127 0.000 0.987 339 N CA 0.231 53.363 53.050 0.136 0.000 0.940 339 N CB 1.486 40.034 38.487 0.101 0.000 1.122 339 N HN 0.346 nan 8.380 nan 0.000 0.509 340 A N 3.292 126.078 122.820 -0.056 0.000 2.287 340 A HA 0.500 4.820 4.320 0.001 0.000 0.273 340 A C -2.163 175.132 177.584 -0.483 0.000 1.091 340 A CA -1.253 50.463 52.037 -0.534 0.000 0.817 340 A CB -0.104 18.684 19.000 -0.354 0.000 1.069 340 A HN 0.345 nan 8.150 nan 0.000 0.492 341 P HA 0.156 nan 4.420 nan 0.000 0.269 341 P C -0.585 176.626 177.300 -0.148 0.000 1.252 341 P CA 0.203 63.100 63.100 -0.337 0.000 0.780 341 P CB 0.264 31.801 31.700 -0.271 0.000 0.829 342 E N 3.388 123.513 120.200 -0.125 0.000 2.265 342 E HA 0.005 4.355 4.350 0.001 0.000 0.272 342 E C 0.151 176.685 176.600 -0.111 0.000 1.067 342 E CA -0.246 56.099 56.400 -0.091 0.000 0.900 342 E CB 0.358 30.011 29.700 -0.079 0.000 1.017 342 E HN 0.341 nan 8.360 nan 0.000 0.431 343 E N 2.900 123.023 120.200 -0.128 0.000 2.371 343 E HA 0.082 4.432 4.350 0.001 0.000 0.257 343 E C -0.619 175.887 176.600 -0.156 0.000 1.134 343 E CA -0.139 56.156 56.400 -0.176 0.000 0.919 343 E CB 0.764 30.276 29.700 -0.315 0.000 1.025 343 E HN 0.542 nan 8.360 nan 0.000 0.438 344 D N 1.386 121.700 120.400 -0.142 0.000 2.256 344 D HA 0.207 4.848 4.640 0.001 0.000 0.250 344 D C 0.317 176.519 176.300 -0.163 0.000 1.093 344 D CA -0.286 53.628 54.000 -0.143 0.000 0.882 344 D CB 0.854 41.593 40.800 -0.102 0.000 1.185 344 D HN 0.289 nan 8.370 nan 0.000 0.437 345 I N -1.336 119.076 120.570 -0.263 0.000 2.638 345 I HA 0.214 4.384 4.170 0.001 0.000 0.286 345 I C 0.046 176.084 176.117 -0.133 0.000 1.088 345 I CA -0.611 60.460 61.300 -0.382 0.000 1.397 345 I CB 0.715 38.368 38.000 -0.578 0.000 1.414 345 I HN -0.088 nan 8.210 nan 0.000 0.566 346 V N 4.250 124.158 119.914 -0.009 0.000 2.271 346 V HA 0.211 4.332 4.120 0.001 0.000 0.259 346 V C 0.006 176.171 176.094 0.120 0.000 1.030 346 V CA -0.619 61.717 62.300 0.060 0.000 0.957 346 V CB -0.339 31.540 31.823 0.093 0.000 1.186 346 V HN 0.786 nan 8.190 nan 0.000 0.471 347 E N 1.968 122.215 120.200 0.078 0.000 2.829 347 E HA -0.063 4.287 4.350 0.001 0.000 0.264 347 E C -0.810 175.885 176.600 0.160 0.000 0.922 347 E CA 0.790 57.257 56.400 0.113 0.000 0.960 347 E CB 0.438 30.165 29.700 0.045 0.000 0.918 347 E HN 0.641 nan 8.360 nan 0.000 0.497 348 Y N 2.368 122.688 120.300 0.033 0.000 2.377 348 Y HA 0.284 4.835 4.550 0.000 0.000 0.339 348 Y C -0.207 175.663 175.900 -0.050 0.000 1.011 348 Y CA -0.601 57.493 58.100 -0.010 0.000 1.093 348 Y CB 1.328 39.786 38.460 -0.005 0.000 1.201 348 Y HN 0.515 nan 8.280 nan 0.000 0.455 349 T N 3.792 118.131 114.554 -0.358 0.000 2.940 349 T HA 0.673 5.023 4.350 0.001 0.000 0.288 349 T C -2.826 171.495 174.700 -0.631 0.000 1.033 349 T CA -2.243 59.655 62.100 -0.336 0.000 1.033 349 T CB 1.750 70.483 68.868 -0.225 0.000 1.079 349 T HN 0.372 nan 8.240 nan 0.000 0.496 350 P HA 0.587 nan 4.420 nan 0.000 0.284 350 P C -0.154 176.967 177.300 -0.299 0.000 1.258 350 P CA -0.250 62.489 63.100 -0.600 0.000 0.824 350 P CB 1.014 32.375 31.700 -0.565 0.000 1.038 351 G N 0.497 109.222 108.800 -0.126 0.000 2.685 351 G HA2 0.477 4.438 3.960 0.001 0.000 0.298 351 G HA3 0.477 4.438 3.960 0.001 0.000 0.298 351 G C -1.124 173.972 174.900 0.327 0.000 1.277 351 G CA -0.971 44.170 45.100 0.068 0.000 0.986 351 G HN 0.296 nan 8.290 nan 0.000 0.487 352 K N 0.108 120.600 120.400 0.153 0.000 2.524 352 K HA 0.026 4.346 4.320 0.001 0.000 0.279 352 K C 0.136 176.671 176.600 -0.108 0.000 0.993 352 K CA 0.397 56.717 56.287 0.054 0.000 1.030 352 K CB 0.670 33.160 32.500 -0.018 0.000 0.891 352 K HN 0.306 nan 8.250 nan 0.000 0.488 353 I N 5.702 125.978 120.570 -0.490 0.000 2.680 353 I HA -0.017 4.154 4.170 0.001 0.000 0.286 353 I C -1.291 174.536 176.117 -0.483 0.000 1.144 353 I CA -1.430 59.309 61.300 -0.934 0.000 1.370 353 I CB -0.694 36.768 38.000 -0.897 0.000 1.420 353 I HN 0.495 nan 8.210 nan 0.000 0.540 354 P HA 0.054 nan 4.420 nan 0.000 0.274 354 P C -0.420 176.518 177.300 -0.604 0.000 1.256 354 P CA -0.457 62.331 63.100 -0.520 0.000 0.795 354 P CB 0.795 32.164 31.700 -0.552 0.000 1.038 355 E N 0.830 120.807 120.200 -0.372 0.000 2.052 355 E HA 0.180 4.530 4.350 0.001 0.000 0.283 355 E C -0.912 175.571 176.600 -0.195 0.000 1.071 355 E CA -0.458 55.826 56.400 -0.193 0.000 0.851 355 E CB -0.119 29.528 29.700 -0.088 0.000 1.066 355 E HN 0.213 nan 8.360 nan 0.000 0.396 356 F N 3.522 123.467 119.950 -0.008 0.000 2.410 356 F HA 0.260 4.787 4.527 0.000 0.000 0.348 356 F C 0.576 176.375 175.800 -0.002 0.000 1.106 356 F CA -0.429 57.566 58.000 -0.009 0.000 1.163 356 F CB 0.900 39.885 39.000 -0.026 0.000 1.129 356 F HN 0.194 nan 8.300 nan 0.000 0.516 357 K N 2.525 123.044 120.400 0.198 0.000 2.110 357 K HA 0.421 4.742 4.320 0.001 0.000 0.263 357 K C -0.400 176.258 176.600 0.098 0.000 0.975 357 K CA -0.870 55.486 56.287 0.114 0.000 0.895 357 K CB 0.911 33.458 32.500 0.079 0.000 1.060 357 K HN 0.521 nan 8.250 nan 0.000 0.448 358 R N 0.704 121.241 120.500 0.062 0.000 2.316 358 R HA 0.224 4.564 4.340 0.001 0.000 0.314 358 R C -0.779 175.543 176.300 0.036 0.000 1.069 358 R CA -0.627 55.492 56.100 0.032 0.000 0.959 358 R CB -0.031 30.285 30.300 0.026 0.000 0.987 358 R HN 0.125 nan 8.270 nan 0.000 0.446 359 V N 3.444 123.363 119.914 0.009 0.000 2.364 359 V HA 0.092 4.212 4.120 0.001 0.000 0.272 359 V C 0.332 176.486 176.094 0.100 0.000 1.036 359 V CA -0.740 61.590 62.300 0.050 0.000 0.880 359 V CB 1.114 32.949 31.823 0.020 0.000 0.991 359 V HN 0.726 nan 8.190 nan 0.000 0.460 360 E N 4.265 124.566 120.200 0.169 0.000 2.220 360 E HA 0.237 4.588 4.350 0.001 0.000 0.272 360 E C -0.998 175.842 176.600 0.400 0.000 1.099 360 E CA 0.090 56.615 56.400 0.209 0.000 0.907 360 E CB 0.617 30.396 29.700 0.132 0.000 1.022 360 E HN 0.425 nan 8.360 nan 0.000 0.428 361 F N 1.682 121.659 119.950 0.044 0.000 2.402 361 F HA 0.153 4.681 4.527 0.000 0.000 0.355 361 F C 0.941 176.765 175.800 0.039 0.000 1.123 361 F CA -1.262 56.770 58.000 0.054 0.000 1.021 361 F CB 1.011 40.049 39.000 0.064 0.000 1.160 361 F HN 0.241 nan 8.300 nan 0.000 0.451 362 E N 3.093 123.347 120.200 0.090 0.000 2.606 362 E HA -0.086 4.264 4.350 0.001 0.000 0.248 362 E C -0.090 176.547 176.600 0.061 0.000 1.005 362 E CA 0.398 56.828 56.400 0.050 0.000 0.946 362 E CB 0.287 29.983 29.700 -0.006 0.000 0.928 362 E HN 0.509 nan 8.360 nan 0.000 0.494 363 E N 2.922 123.160 120.200 0.063 0.000 2.159 363 E HA 0.074 4.424 4.350 0.001 0.000 0.272 363 E C -0.284 176.332 176.600 0.026 0.000 1.138 363 E CA -0.242 56.189 56.400 0.052 0.000 0.915 363 E CB 0.522 30.247 29.700 0.043 0.000 1.028 363 E HN 0.247 nan 8.360 nan 0.000 0.423 364 V N 1.215 121.141 119.914 0.020 0.000 3.019 364 V HA 0.380 4.501 4.120 0.001 0.000 0.317 364 V C 0.126 176.215 176.094 -0.008 0.000 1.094 364 V CA -1.213 61.085 62.300 -0.004 0.000 1.000 364 V CB 1.851 33.662 31.823 -0.020 0.000 1.060 364 V HN 0.534 nan 8.190 nan 0.000 0.443 365 N N 0.936 119.614 118.700 -0.037 0.000 2.406 365 N HA 0.361 5.101 4.740 0.001 0.000 0.251 365 N C 0.904 176.342 175.510 -0.120 0.000 1.069 365 N CA 0.250 53.261 53.050 -0.065 0.000 0.947 365 N CB 1.782 40.219 38.487 -0.083 0.000 1.111 365 N HN 0.963 nan 8.380 nan 0.000 0.497 366 A N 4.923 127.680 122.820 -0.105 0.000 2.119 366 A HA -0.044 4.277 4.320 0.001 0.000 0.216 366 A C 2.071 179.291 177.584 -0.607 0.000 1.152 366 A CA 0.437 52.392 52.037 -0.137 0.000 0.708 366 A CB -0.018 19.061 19.000 0.131 0.000 0.805 366 A HN 0.702 nan 8.150 nan 0.000 0.460 367 R N 0.385 120.427 120.500 -0.763 0.000 2.091 367 R HA -0.166 4.175 4.340 0.001 0.000 0.238 367 R C 1.615 177.439 176.300 -0.793 0.000 1.136 367 R CA 1.628 57.033 56.100 -1.158 0.000 0.959 367 R CB -0.742 29.210 30.300 -0.580 0.000 0.856 367 R HN 0.704 nan 8.270 nan 0.000 0.437 368 E N 0.280 120.206 120.200 -0.457 0.000 2.265 368 E HA -0.109 4.241 4.350 0.001 0.000 0.196 368 E C 1.730 178.130 176.600 -0.333 0.000 0.996 368 E CA 0.917 57.129 56.400 -0.312 0.000 0.832 368 E CB 0.238 29.814 29.700 -0.206 0.000 0.756 368 E HN 0.099 nan 8.360 nan 0.000 0.491 369 V N -0.001 119.674 119.914 -0.398 0.000 2.795 369 V HA -0.098 4.022 4.120 0.001 0.000 0.243 369 V C 1.665 177.389 176.094 -0.616 0.000 1.069 369 V CA 0.950 63.009 62.300 -0.403 0.000 1.089 369 V CB -0.216 31.471 31.823 -0.227 0.000 0.756 369 V HN 0.334 nan 8.190 nan 0.000 0.471 370 F N 0.194 119.879 119.950 -0.441 0.000 2.743 370 F HA 0.312 4.840 4.527 0.001 0.000 0.297 370 F C 1.695 177.317 175.800 -0.296 0.000 1.131 370 F CA 0.353 58.087 58.000 -0.443 0.000 1.426 370 F CB -0.405 38.449 39.000 -0.243 0.000 1.116 370 F HN 0.070 nan 8.300 nan 0.000 0.583 371 E N 0.608 120.657 120.200 -0.253 0.000 2.511 371 E HA -0.055 4.295 4.350 0.001 0.000 0.196 371 E C 1.388 177.966 176.600 -0.037 0.000 1.066 371 E CA 0.172 56.544 56.400 -0.046 0.000 0.871 371 E CB -0.091 29.520 29.700 -0.148 0.000 0.863 371 E HN 0.654 nan 8.360 nan 0.000 0.520 372 Q N -0.751 118.952 119.800 -0.162 0.000 2.282 372 Q HA 0.092 4.433 4.340 0.001 0.000 0.206 372 Q C -0.378 175.656 176.000 0.057 0.000 0.878 372 Q CA 0.142 55.871 55.803 -0.123 0.000 0.944 372 Q CB 0.731 29.316 28.738 -0.254 0.000 1.100 372 Q HN 0.310 nan 8.270 nan 0.000 0.509 373 Y N 0.070 120.453 120.300 0.138 0.000 2.393 373 Y HA 0.208 4.758 4.550 0.001 0.000 0.341 373 Y C -0.008 176.020 175.900 0.213 0.000 0.988 373 Y CA -1.454 56.731 58.100 0.143 0.000 1.078 373 Y CB 1.354 39.885 38.460 0.119 0.000 1.203 373 Y HN -0.145 nan 8.280 nan 0.000 0.453 374 D N 3.501 124.064 120.400 0.272 0.000 2.383 374 D HA -0.023 4.617 4.640 0.001 0.000 0.245 374 D C 0.365 176.735 176.300 0.117 0.000 1.263 374 D CA 0.150 54.223 54.000 0.123 0.000 0.936 374 D CB 0.195 41.027 40.800 0.054 0.000 1.053 374 D HN 0.652 nan 8.370 nan 0.000 0.507 375 H N 2.587 121.679 119.070 0.038 0.000 2.524 375 H HA 0.258 4.814 4.556 0.001 0.000 0.299 375 H C 0.495 175.796 175.328 -0.045 0.000 1.074 375 H CA -0.269 55.762 56.048 -0.028 0.000 1.115 375 H CB 0.164 29.887 29.762 -0.064 0.000 1.522 375 H HN 0.397 nan 8.280 nan 0.000 0.543 376 M N 0.267 119.765 119.600 -0.169 0.000 2.211 376 M HA 0.097 4.577 4.480 0.001 0.000 0.338 376 M C 0.417 176.667 176.300 -0.084 0.000 0.893 376 M CA -0.140 55.072 55.300 -0.147 0.000 1.096 376 M CB 1.854 34.324 32.600 -0.217 0.000 1.923 376 M HN 0.074 nan 8.290 nan 0.000 0.656 377 V N 1.125 121.002 119.914 -0.061 0.000 2.901 377 V HA 0.269 4.389 4.120 0.001 0.000 0.307 377 V C 1.182 177.262 176.094 -0.024 0.000 1.084 377 V CA 2.104 64.383 62.300 -0.034 0.000 1.184 377 V CB 0.825 32.638 31.823 -0.016 0.000 0.941 377 V HN 0.814 nan 8.190 nan 0.000 0.493 378 G N 3.285 112.074 108.800 -0.017 0.000 2.241 378 G HA2 -0.304 3.656 3.960 0.001 0.000 0.244 378 G HA3 -0.304 3.656 3.960 0.001 0.000 0.244 378 G C 0.992 175.879 174.900 -0.021 0.000 0.998 378 G CA 0.990 46.083 45.100 -0.011 0.000 0.621 378 G HN 2.197 nan 8.290 nan 0.000 0.519 379 T N -0.678 113.857 114.554 -0.032 0.000 6.387 379 T HA -0.260 4.090 4.350 0.001 0.000 0.290 379 T C 0.863 175.536 174.700 -0.045 0.000 1.901 379 T CA 2.453 64.530 62.100 -0.039 0.000 3.035 379 T CB -1.160 67.690 68.868 -0.030 0.000 1.917 379 T HN 0.611 nan 8.240 nan 0.000 1.121 380 D N 0.785 121.156 120.400 -0.049 0.000 2.349 380 D HA 0.177 4.817 4.640 0.001 0.000 0.214 380 D C 1.028 177.269 176.300 -0.099 0.000 1.063 380 D CA 0.929 54.888 54.000 -0.069 0.000 0.847 380 D CB 0.432 41.199 40.800 -0.056 0.000 0.933 380 D HN 0.742 nan 8.370 nan 0.000 0.513 381 T N -1.406 113.099 114.554 -0.082 0.000 2.723 381 T HA 0.269 4.619 4.350 0.001 0.000 0.297 381 T C 1.332 175.987 174.700 -0.076 0.000 0.925 381 T CA -0.624 61.422 62.100 -0.089 0.000 1.030 381 T CB 1.288 70.119 68.868 -0.061 0.000 0.905 381 T HN -0.238 nan 8.240 nan 0.000 0.502 382 V N 3.813 123.671 119.914 -0.093 0.000 2.379 382 V HA 0.088 4.209 4.120 0.001 0.000 0.243 382 V C 1.106 177.181 176.094 -0.032 0.000 1.035 382 V CA 0.529 62.790 62.300 -0.065 0.000 1.035 382 V CB -0.022 31.752 31.823 -0.082 0.000 0.673 382 V HN 0.783 nan 8.190 nan 0.000 0.457 383 V N 3.672 123.563 119.914 -0.039 0.000 2.334 383 V HA 0.369 4.490 4.120 0.001 0.000 0.281 383 V C -2.264 173.817 176.094 -0.022 0.000 1.016 383 V CA -1.642 60.657 62.300 -0.002 0.000 0.832 383 V CB 1.378 33.204 31.823 0.005 0.000 0.999 383 V HN 0.334 nan 8.190 nan 0.000 0.439 384 P HA 0.327 nan 4.420 nan 0.000 0.274 384 P C -2.626 174.542 177.300 -0.220 0.000 1.231 384 P CA -1.590 61.484 63.100 -0.043 0.000 0.790 384 P CB 0.466 32.219 31.700 0.088 0.000 0.951 385 P HA 0.140 nan 4.420 nan 0.000 0.271 385 P C 0.643 177.499 177.300 -0.740 0.000 1.233 385 P CA 0.535 63.202 63.100 -0.722 0.000 0.789 385 P CB 0.444 31.447 31.700 -1.163 0.000 0.951 386 G N 0.616 109.125 108.800 -0.485 0.000 4.025 386 G HA2 -0.148 3.812 3.960 0.001 0.000 0.195 386 G HA3 -0.148 3.812 3.960 0.001 0.000 0.195 386 G C -0.239 174.404 174.900 -0.428 0.000 1.546 386 G CA -0.528 44.356 45.100 -0.360 0.000 1.007 386 G HN 0.404 nan 8.290 nan 0.000 0.388 387 F N 3.458 123.253 119.950 -0.259 0.000 2.606 387 F HA 0.471 4.998 4.527 0.000 0.000 0.347 387 F C 1.780 177.456 175.800 -0.207 0.000 1.207 387 F CA 0.431 58.209 58.000 -0.370 0.000 1.306 387 F CB 0.391 39.257 39.000 -0.223 0.000 1.657 387 F HN 0.786 nan 8.300 nan 0.000 0.606 388 G N 1.360 110.153 108.800 -0.011 0.000 2.686 388 G HA2 -0.363 3.598 3.960 0.001 0.000 0.329 388 G HA3 -0.363 3.598 3.960 0.001 0.000 0.329 388 G C 0.615 175.538 174.900 0.038 0.000 1.187 388 G CA -0.102 45.014 45.100 0.027 0.000 0.965 388 G HN 0.874 nan 8.290 nan 0.000 0.549 389 A N 0.549 123.395 122.820 0.044 0.000 2.520 389 A HA 0.648 4.968 4.320 0.001 0.000 0.235 389 A C 0.671 178.291 177.584 0.060 0.000 1.065 389 A CA 1.507 53.581 52.037 0.062 0.000 0.764 389 A CB 0.114 19.129 19.000 0.025 0.000 1.002 389 A HN 2.422 nan 8.150 nan 0.000 0.502 390 A N 1.851 124.728 122.820 0.096 0.000 2.331 390 A HA 0.629 4.950 4.320 0.001 0.000 0.320 390 A C -0.562 177.023 177.584 0.002 0.000 1.138 390 A CA -0.466 51.595 52.037 0.040 0.000 0.790 390 A CB 1.118 20.150 19.000 0.053 0.000 1.206 390 A HN 1.068 nan 8.150 nan 0.000 0.470 391 V N 3.967 123.846 119.914 -0.058 0.000 2.513 391 V HA 0.599 4.719 4.120 0.001 0.000 0.299 391 V C -0.092 175.872 176.094 -0.218 0.000 1.035 391 V CA -0.534 61.689 62.300 -0.129 0.000 0.889 391 V CB 1.504 33.273 31.823 -0.091 0.000 0.988 391 V HN 0.960 nan 8.190 nan 0.000 0.440 392 M N 3.904 123.250 119.600 -0.422 0.000 2.821 392 M HA 0.745 5.225 4.480 0.001 0.000 0.294 392 M C -0.371 175.629 176.300 -0.500 0.000 1.195 392 M CA -0.727 54.240 55.300 -0.555 0.000 0.784 392 M CB 2.337 34.315 32.600 -1.037 0.000 1.755 392 M HN 0.851 nan 8.290 nan 0.000 0.477 393 R N -0.751 119.516 120.500 -0.388 0.000 2.810 393 R HA 0.801 5.141 4.340 0.001 0.000 0.266 393 R C -0.902 175.330 176.300 -0.113 0.000 1.061 393 R CA -0.830 55.151 56.100 -0.199 0.000 0.943 393 R CB 0.982 31.209 30.300 -0.122 0.000 1.237 393 R HN 0.611 nan 8.270 nan 0.000 0.459 394 I N -0.179 120.332 120.570 -0.098 0.000 3.817 394 I HA 0.298 4.469 4.170 0.001 0.000 0.325 394 I C 0.197 176.242 176.117 -0.120 0.000 1.550 394 I CA -0.478 60.720 61.300 -0.170 0.000 1.100 394 I CB 0.279 38.024 38.000 -0.424 0.000 1.216 394 I HN 0.857 nan 8.210 nan 0.000 0.481 395 K N 0.233 120.598 120.400 -0.059 0.000 3.609 395 K HA -0.248 4.072 4.320 0.001 0.000 0.277 395 K C 1.336 177.945 176.600 0.015 0.000 1.196 395 K CA 1.170 57.444 56.287 -0.022 0.000 1.022 395 K CB -0.493 31.996 32.500 -0.018 0.000 1.292 395 K HN 0.266 nan 8.250 nan 0.000 0.484 396 R N -1.063 119.457 120.500 0.034 0.000 3.062 396 R HA 0.097 4.437 4.340 0.001 0.000 0.161 396 R C 1.288 177.653 176.300 0.108 0.000 0.778 396 R CA 1.041 57.199 56.100 0.096 0.000 1.168 396 R CB -0.061 30.340 30.300 0.168 0.000 1.618 396 R HN 0.110 nan 8.270 nan 0.000 0.566 397 D N -0.935 119.527 120.400 0.103 0.000 2.338 397 D HA 0.270 4.910 4.640 0.001 0.000 0.224 397 D C 0.294 176.665 176.300 0.118 0.000 0.967 397 D CA 1.488 55.594 54.000 0.177 0.000 0.896 397 D CB 0.776 41.695 40.800 0.199 0.000 1.028 397 D HN 0.285 nan 8.370 nan 0.000 0.493 398 G N -2.088 106.747 108.800 0.059 0.000 2.347 398 G HA2 0.446 4.406 3.960 0.001 0.000 0.321 398 G HA3 0.446 4.406 3.960 0.001 0.000 0.321 398 G C -0.358 174.554 174.900 0.019 0.000 1.412 398 G CA -0.431 44.699 45.100 0.049 0.000 0.990 398 G HN 0.514 nan 8.290 nan 0.000 0.637 399 G N -1.479 107.335 108.800 0.023 0.000 2.788 399 G HA2 1.013 4.973 3.960 0.001 0.000 0.293 399 G HA3 1.013 4.973 3.960 0.001 0.000 0.293 399 G C -1.307 173.645 174.900 0.087 0.000 1.392 399 G CA 0.037 45.134 45.100 -0.005 0.000 0.810 399 G HN 1.880 nan 8.290 nan 0.000 0.508 400 Y N -1.089 119.164 120.300 -0.079 0.000 2.553 400 Y HA 0.801 5.352 4.550 0.001 0.000 0.347 400 Y C -0.200 175.650 175.900 -0.083 0.000 1.019 400 Y CA -1.775 56.266 58.100 -0.098 0.000 1.032 400 Y CB 1.841 40.220 38.460 -0.136 0.000 1.284 400 Y HN 0.714 nan 8.280 nan 0.000 0.466 401 S N 2.834 118.548 115.700 0.023 0.000 2.561 401 S HA 0.825 5.295 4.470 0.001 0.000 0.303 401 S C -1.426 173.158 174.600 -0.025 0.000 1.110 401 S CA -0.663 57.523 58.200 -0.024 0.000 1.034 401 S CB 0.728 63.906 63.200 -0.037 0.000 1.010 401 S HN 0.748 nan 8.310 nan 0.000 0.482 402 L N 3.090 124.319 121.223 0.010 0.000 2.346 402 L HA 0.838 5.178 4.340 0.001 0.000 0.276 402 L C -0.907 175.915 176.870 -0.080 0.000 1.006 402 L CA -0.937 53.832 54.840 -0.118 0.000 0.817 402 L CB 2.116 44.065 42.059 -0.183 0.000 1.272 402 L HN 0.599 nan 8.230 nan 0.000 0.421 403 V N 0.288 120.078 119.914 -0.206 0.000 2.925 403 V HA 0.624 4.745 4.120 0.001 0.000 0.311 403 V C -0.490 175.514 176.094 -0.150 0.000 1.104 403 V CA -0.560 61.699 62.300 -0.070 0.000 0.954 403 V CB 2.215 34.023 31.823 -0.025 0.000 1.022 403 V HN 0.722 nan 8.190 nan 0.000 0.427 404 T N 2.423 116.990 114.554 0.022 0.000 2.841 404 T HA 0.672 5.022 4.350 0.001 0.000 0.285 404 T C -1.369 173.452 174.700 0.202 0.000 0.991 404 T CA -0.279 61.860 62.100 0.065 0.000 0.966 404 T CB 0.808 69.749 68.868 0.121 0.000 0.962 404 T HN 0.855 nan 8.240 nan 0.000 0.438 405 H N 1.173 120.269 119.070 0.043 0.000 2.961 405 H HA 0.715 5.271 4.556 0.000 0.000 0.371 405 H C -1.136 174.224 175.328 0.053 0.000 1.190 405 H CA -0.889 55.191 56.048 0.053 0.000 1.138 405 H CB 1.821 31.600 29.762 0.029 0.000 1.816 405 H HN 0.592 nan 8.280 nan 0.000 0.551 406 S N 4.129 119.650 115.700 -0.298 0.000 2.653 406 S HA 0.358 4.828 4.470 0.001 0.000 0.268 406 S C -1.204 173.192 174.600 -0.341 0.000 1.153 406 S CA -1.120 56.940 58.200 -0.233 0.000 1.036 406 S CB 1.016 64.227 63.200 0.018 0.000 1.103 406 S HN 0.497 nan 8.310 nan 0.000 0.466 407 R N 2.760 123.025 120.500 -0.392 0.000 2.891 407 R HA 0.464 4.804 4.340 0.001 0.000 0.248 407 R C 1.387 177.563 176.300 -0.205 0.000 1.439 407 R CA 0.181 56.086 56.100 -0.325 0.000 1.288 407 R CB -0.104 29.993 30.300 -0.339 0.000 1.212 407 R HN 0.859 nan 8.270 nan 0.000 0.605 408 A N 2.199 124.946 122.820 -0.121 0.000 1.929 408 A HA -0.159 4.162 4.320 0.001 0.000 0.216 408 A C 1.573 179.110 177.584 -0.079 0.000 1.176 408 A CA 1.326 53.371 52.037 0.014 0.000 0.628 408 A CB -0.020 19.159 19.000 0.299 0.000 0.816 408 A HN 0.572 nan 8.150 nan 0.000 0.444 409 D N 0.519 120.688 120.400 -0.386 0.000 2.178 409 D HA -0.137 4.503 4.640 0.001 0.000 0.202 409 D C 1.712 177.879 176.300 -0.222 0.000 0.974 409 D CA 1.080 54.814 54.000 -0.444 0.000 0.841 409 D CB -0.540 39.773 40.800 -0.812 0.000 0.953 409 D HN 0.489 nan 8.370 nan 0.000 0.478 410 L N 0.168 121.230 121.223 -0.268 0.000 2.202 410 L HA 0.186 4.526 4.340 0.001 0.000 0.205 410 L C 2.727 179.585 176.870 -0.020 0.000 1.083 410 L CA 0.706 55.368 54.840 -0.296 0.000 0.790 410 L CB -0.424 41.239 42.059 -0.660 0.000 0.942 410 L HN 0.012 nan 8.230 nan 0.000 0.452 411 A N 0.132 122.926 122.820 -0.043 0.000 2.070 411 A HA -0.162 4.158 4.320 0.001 0.000 0.220 411 A C 2.286 179.918 177.584 0.079 0.000 1.159 411 A CA 1.191 53.245 52.037 0.029 0.000 0.656 411 A CB -0.506 18.488 19.000 -0.009 0.000 0.800 411 A HN 0.377 nan 8.150 nan 0.000 0.453 412 L N -1.179 120.089 121.223 0.075 0.000 2.044 412 L HA -0.216 4.124 4.340 0.001 0.000 0.205 412 L C 2.804 179.742 176.870 0.112 0.000 1.075 412 L CA 1.647 56.535 54.840 0.081 0.000 0.747 412 L CB -0.310 41.791 42.059 0.069 0.000 0.903 412 L HN 0.498 nan 8.230 nan 0.000 0.435 413 Q N -1.141 118.761 119.800 0.170 0.000 2.083 413 Q HA -0.104 4.236 4.340 0.001 0.000 0.198 413 Q C -0.084 176.025 176.000 0.182 0.000 0.969 413 Q CA 0.950 56.861 55.803 0.179 0.000 0.838 413 Q CB 0.287 29.180 28.738 0.258 0.000 0.900 413 Q HN 0.302 nan 8.270 nan 0.000 0.436 414 D N -1.605 118.966 120.400 0.285 0.000 2.602 414 D HA 0.133 4.774 4.640 0.001 0.000 0.245 414 D C -0.203 176.233 176.300 0.227 0.000 1.325 414 D CA -0.159 54.006 54.000 0.274 0.000 0.952 414 D CB 1.437 42.461 40.800 0.373 0.000 1.317 414 D HN -0.140 nan 8.370 nan 0.000 0.577 415 T N 1.862 116.495 114.554 0.131 0.000 2.977 415 T HA -0.125 4.225 4.350 0.001 0.000 0.271 415 T C 1.118 175.813 174.700 -0.008 0.000 1.105 415 T CA 0.932 63.052 62.100 0.033 0.000 1.116 415 T CB -0.131 68.720 68.868 -0.029 0.000 0.878 415 T HN 0.523 nan 8.240 nan 0.000 0.509 416 Y N -0.485 119.762 120.300 -0.089 0.000 2.259 416 Y HA 0.181 4.732 4.550 0.000 0.000 0.285 416 Y C 1.752 177.577 175.900 -0.126 0.000 1.130 416 Y CA -0.006 57.978 58.100 -0.192 0.000 1.144 416 Y CB -0.307 38.015 38.460 -0.229 0.000 1.093 416 Y HN 0.073 nan 8.280 nan 0.000 0.507 417 W N 0.889 122.366 121.300 0.294 0.000 2.392 417 W HA -0.038 4.622 4.660 0.001 0.000 0.279 417 W C 2.475 179.004 176.519 0.016 0.000 1.225 417 W CA 1.388 58.844 57.345 0.184 0.000 1.233 417 W CB -0.623 29.063 29.460 0.377 0.000 1.122 417 W HN 0.327 nan 8.180 nan 0.000 0.561 418 G N -0.909 108.026 108.800 0.224 0.000 2.402 418 G HA2 -0.195 3.765 3.960 0.001 0.000 0.216 418 G HA3 -0.195 3.765 3.960 0.001 0.000 0.216 418 G C 1.434 176.258 174.900 -0.126 0.000 1.162 418 G CA 1.529 46.614 45.100 -0.025 0.000 0.777 418 G HN 0.162 nan 8.290 nan 0.000 0.539 419 T N 0.656 115.133 114.554 -0.130 0.000 2.942 419 T HA 0.030 4.380 4.350 0.001 0.000 0.265 419 T C 2.245 176.807 174.700 -0.229 0.000 1.062 419 T CA 0.677 62.666 62.100 -0.184 0.000 1.139 419 T CB -0.019 68.728 68.868 -0.201 0.000 0.883 419 T HN 0.131 nan 8.240 nan 0.000 0.468 420 L N 0.613 121.653 121.223 -0.306 0.000 2.072 420 L HA 0.158 4.498 4.340 0.001 0.000 0.205 420 L C 2.068 178.861 176.870 -0.128 0.000 1.079 420 L CA 1.294 55.945 54.840 -0.315 0.000 0.752 420 L CB -0.237 41.486 42.059 -0.560 0.000 0.906 420 L HN 0.209 nan 8.230 nan 0.000 0.436 421 I N -0.399 120.102 120.570 -0.115 0.000 2.454 421 I HA -0.262 3.909 4.170 0.001 0.000 0.254 421 I C 2.551 178.618 176.117 -0.083 0.000 1.156 421 I CA 0.911 62.127 61.300 -0.140 0.000 1.433 421 I CB -0.525 37.250 38.000 -0.373 0.000 1.082 421 I HN 0.330 nan 8.210 nan 0.000 0.432 422 A N 0.507 123.253 122.820 -0.124 0.000 1.898 422 A HA -0.126 4.194 4.320 0.001 0.000 0.216 422 A C 2.364 179.950 177.584 0.004 0.000 1.181 422 A CA 1.694 53.656 52.037 -0.126 0.000 0.620 422 A CB -0.776 18.107 19.000 -0.195 0.000 0.819 422 A HN 0.253 nan 8.150 nan 0.000 0.442 423 V N -0.079 119.834 119.914 -0.001 0.000 2.548 423 V HA -0.161 3.960 4.120 0.001 0.000 0.249 423 V C 2.421 178.594 176.094 0.131 0.000 1.055 423 V CA 1.544 63.872 62.300 0.046 0.000 1.065 423 V CB -0.773 31.061 31.823 0.017 0.000 0.681 423 V HN 0.522 nan 8.190 nan 0.000 0.462 424 L N -0.290 121.048 121.223 0.191 0.000 2.095 424 L HA -0.044 4.297 4.340 0.001 0.000 0.204 424 L C 2.481 179.544 176.870 0.321 0.000 1.080 424 L CA 1.401 56.473 54.840 0.387 0.000 0.759 424 L CB -0.466 41.854 42.059 0.435 0.000 0.914 424 L HN 0.296 nan 8.230 nan 0.000 0.439 425 E N -0.293 120.039 120.200 0.220 0.000 2.418 425 E HA -0.123 4.227 4.350 0.001 0.000 0.197 425 E C 2.089 178.763 176.600 0.123 0.000 1.026 425 E CA 0.482 56.989 56.400 0.179 0.000 0.862 425 E CB 0.260 30.073 29.700 0.189 0.000 0.799 425 E HN 0.317 nan 8.360 nan 0.000 0.518 426 S N -0.580 115.211 115.700 0.151 0.000 2.362 426 S HA -0.087 4.384 4.470 0.001 0.000 0.221 426 S C 1.887 176.455 174.600 -0.053 0.000 1.032 426 S CA 0.713 58.951 58.200 0.064 0.000 0.973 426 S CB 0.133 63.386 63.200 0.088 0.000 0.849 426 S HN 0.129 nan 8.310 nan 0.000 0.465 427 V N 1.839 121.693 119.914 -0.101 0.000 2.759 427 V HA -0.076 4.044 4.120 0.001 0.000 0.256 427 V C 2.341 178.180 176.094 -0.424 0.000 1.080 427 V CA 1.421 63.521 62.300 -0.333 0.000 1.101 427 V CB -0.632 30.839 31.823 -0.587 0.000 0.698 427 V HN 0.329 nan 8.190 nan 0.000 0.477 428 R N 0.178 120.549 120.500 -0.215 0.000 2.090 428 R HA -0.078 4.262 4.340 0.001 0.000 0.228 428 R C 2.315 178.553 176.300 -0.102 0.000 1.110 428 R CA 1.129 57.160 56.100 -0.117 0.000 0.973 428 R CB -0.026 30.326 30.300 0.086 0.000 0.869 428 R HN 0.445 nan 8.270 nan 0.000 0.440 429 K N -0.926 119.412 120.400 -0.102 0.000 2.228 429 K HA -0.007 4.314 4.320 0.001 0.000 0.202 429 K C 1.625 178.176 176.600 -0.082 0.000 1.051 429 K CA 1.470 57.704 56.287 -0.089 0.000 0.960 429 K CB 0.283 32.715 32.500 -0.114 0.000 0.743 429 K HN 0.191 nan 8.250 nan 0.000 0.458 430 T N 1.288 115.774 114.554 -0.114 0.000 3.023 430 T HA 0.029 4.379 4.350 0.001 0.000 0.266 430 T C 1.686 176.321 174.700 -0.109 0.000 1.093 430 T CA 0.642 62.677 62.100 -0.109 0.000 1.129 430 T CB 0.075 68.861 68.868 -0.136 0.000 0.899 430 T HN 0.088 nan 8.240 nan 0.000 0.491 431 L N 0.730 121.870 121.223 -0.138 0.000 2.509 431 L HA 0.158 4.499 4.340 0.001 0.000 0.222 431 L C 2.416 179.257 176.870 -0.049 0.000 1.123 431 L CA 0.232 55.007 54.840 -0.107 0.000 0.856 431 L CB -0.192 41.774 42.059 -0.154 0.000 0.985 431 L HN 0.170 nan 8.230 nan 0.000 0.456 432 S N -0.259 115.414 115.700 -0.043 0.000 2.423 432 S HA -0.115 4.355 4.470 0.001 0.000 0.231 432 S C 1.923 176.531 174.600 0.013 0.000 1.014 432 S CA 1.391 59.580 58.200 -0.019 0.000 0.965 432 S CB -0.014 63.163 63.200 -0.038 0.000 0.785 432 S HN 0.420 nan 8.310 nan 0.000 0.495 433 V N -1.911 118.010 119.914 0.012 0.000 2.599 433 V HA 0.537 4.657 4.120 0.001 0.000 0.245 433 V C 1.334 177.442 176.094 0.023 0.000 1.046 433 V CA 0.865 63.187 62.300 0.036 0.000 1.065 433 V CB -0.854 30.981 31.823 0.019 0.000 0.703 433 V HN 0.471 nan 8.190 nan 0.000 0.464 434 G N -0.263 108.538 108.800 0.002 0.000 2.192 434 G HA2 0.345 4.305 3.960 0.001 0.000 0.152 434 G HA3 0.345 4.305 3.960 0.001 0.000 0.152 434 G C -0.136 174.755 174.900 -0.014 0.000 1.057 434 G CA -0.052 45.047 45.100 -0.001 0.000 0.748 434 G HN 1.357 nan 8.290 nan 0.000 0.488 435 A N 0.590 123.392 122.820 -0.030 0.000 2.342 435 A HA 0.814 5.134 4.320 0.001 0.000 0.323 435 A C 0.131 177.681 177.584 -0.057 0.000 1.125 435 A CA -0.366 51.648 52.037 -0.038 0.000 0.785 435 A CB 0.771 19.745 19.000 -0.043 0.000 1.221 435 A HN 0.745 nan 8.150 nan 0.000 0.463 436 E N 2.793 122.965 120.200 -0.047 0.000 2.130 436 E HA 0.430 4.780 4.350 0.001 0.000 0.284 436 E C -2.659 173.901 176.600 -0.068 0.000 1.018 436 E CA -1.830 54.536 56.400 -0.057 0.000 0.817 436 E CB 0.232 29.913 29.700 -0.031 0.000 1.078 436 E HN 0.289 nan 8.360 nan 0.000 0.396 437 P HA -0.124 nan 4.420 nan 0.000 0.266 437 P C -0.284 176.979 177.300 -0.062 0.000 1.180 437 P CA 0.413 63.454 63.100 -0.098 0.000 0.765 437 P CB 0.593 32.208 31.700 -0.141 0.000 0.806 438 L N 0.452 121.642 121.223 -0.055 0.000 2.678 438 L HA 0.483 4.824 4.340 0.001 0.000 0.211 438 L C 0.801 177.676 176.870 0.008 0.000 1.043 438 L CA 0.259 55.081 54.840 -0.029 0.000 0.881 438 L CB 0.033 42.062 42.059 -0.049 0.000 1.361 438 L HN 0.383 nan 8.230 nan 0.000 0.484 439 A N -0.180 122.656 122.820 0.027 0.000 2.588 439 A HA 0.784 5.104 4.320 0.001 0.000 0.290 439 A C -1.588 176.112 177.584 0.192 0.000 1.136 439 A CA -0.359 51.759 52.037 0.136 0.000 0.681 439 A CB 1.839 21.002 19.000 0.271 0.000 1.282 439 A HN 0.012 nan 8.150 nan 0.000 0.421 440 I N -0.323 120.363 120.570 0.194 0.000 2.892 440 I HA 0.663 4.833 4.170 0.001 0.000 0.306 440 I C -0.409 175.726 176.117 0.029 0.000 1.078 440 I CA -0.507 60.870 61.300 0.129 0.000 1.032 440 I CB 2.715 40.740 38.000 0.043 0.000 1.229 440 I HN 0.591 nan 8.210 nan 0.000 0.435 441 T N 3.395 117.920 114.554 -0.049 0.000 3.031 441 T HA 0.364 4.714 4.350 0.001 0.000 0.305 441 T C -0.915 173.711 174.700 -0.123 0.000 0.985 441 T CA -0.752 61.217 62.100 -0.219 0.000 1.008 441 T CB 0.362 68.903 68.868 -0.546 0.000 1.005 441 T HN 0.750 nan 8.240 nan 0.000 0.444 442 N N 2.306 120.936 118.700 -0.116 0.000 2.463 442 N HA 0.629 5.369 4.740 0.001 0.000 0.270 442 N C -0.742 174.726 175.510 -0.071 0.000 1.205 442 N CA -0.673 52.327 53.050 -0.083 0.000 0.974 442 N CB 1.516 39.952 38.487 -0.086 0.000 1.197 442 N HN 0.479 nan 8.380 nan 0.000 0.504 443 C N 1.862 121.134 119.300 -0.046 0.000 3.044 443 C HA 0.330 4.790 4.460 0.001 0.000 0.382 443 C C -1.245 173.736 174.990 -0.016 0.000 1.071 443 C CA -0.589 58.418 59.018 -0.018 0.000 1.296 443 C CB -0.546 27.193 27.740 -0.002 0.000 1.730 443 C HN 0.602 nan 8.230 nan 0.000 0.513 444 V N 7.087 126.996 119.914 -0.007 0.000 2.432 444 V HA 0.404 4.524 4.120 0.001 0.000 0.271 444 V C 0.442 176.556 176.094 0.034 0.000 1.046 444 V CA 0.056 62.351 62.300 -0.009 0.000 0.945 444 V CB 1.048 32.849 31.823 -0.036 0.000 0.992 444 V HN 0.835 nan 8.190 nan 0.000 0.471 445 N N 3.749 122.473 118.700 0.040 0.000 2.818 445 N HA 0.205 4.945 4.740 0.001 0.000 0.301 445 N C -0.913 174.656 175.510 0.097 0.000 1.821 445 N CA -0.274 52.807 53.050 0.052 0.000 0.930 445 N CB 0.959 39.450 38.487 0.007 0.000 1.263 445 N HN 0.680 nan 8.380 nan 0.000 0.487 446 Y N 0.599 120.868 120.300 -0.053 0.000 2.326 446 Y HA 0.414 4.964 4.550 0.001 0.000 0.324 446 Y C 1.360 177.215 175.900 -0.075 0.000 1.291 446 Y CA -0.092 57.962 58.100 -0.076 0.000 1.348 446 Y CB 0.664 39.054 38.460 -0.116 0.000 1.294 446 Y HN 0.217 nan 8.280 nan 0.000 0.525 447 G N 0.900 109.212 108.800 -0.814 0.000 3.048 447 G HA2 -0.051 3.910 3.960 0.001 0.000 0.151 447 G HA3 -0.051 3.910 3.960 0.001 0.000 0.151 447 G C -0.697 173.889 174.900 -0.523 0.000 1.803 447 G CA -0.171 44.587 45.100 -0.569 0.000 1.047 447 G HN 0.610 nan 8.290 nan 0.000 0.513 448 D N 1.298 121.432 120.400 -0.443 0.000 2.339 448 D HA 0.224 4.864 4.640 0.001 0.000 0.241 448 D C -1.497 174.634 176.300 -0.281 0.000 1.183 448 D CA -1.528 52.263 54.000 -0.348 0.000 0.859 448 D CB 1.800 42.525 40.800 -0.125 0.000 1.067 448 D HN 0.000 nan 8.370 nan 0.000 0.484 449 P HA 0.082 nan 4.420 nan 0.000 0.253 449 P C 0.120 177.443 177.300 0.037 0.000 1.260 449 P CA 0.234 63.295 63.100 -0.064 0.000 0.800 449 P CB 0.800 32.346 31.700 -0.256 0.000 1.162 450 D N -0.848 119.566 120.400 0.024 0.000 2.455 450 D HA 0.032 4.672 4.640 0.001 0.000 0.228 450 D C 1.844 178.207 176.300 0.104 0.000 1.070 450 D CA 0.434 54.518 54.000 0.140 0.000 0.881 450 D CB 0.553 41.472 40.800 0.197 0.000 1.087 450 D HN -0.010 nan 8.370 nan 0.000 0.498 451 V N 0.682 120.636 119.914 0.066 0.000 2.788 451 V HA -0.032 4.088 4.120 0.001 0.000 0.251 451 V C 0.701 176.834 176.094 0.065 0.000 1.068 451 V CA 1.136 63.468 62.300 0.052 0.000 1.090 451 V CB 0.166 32.002 31.823 0.022 0.000 0.710 451 V HN 0.048 nan 8.190 nan 0.000 0.467 452 D N -0.978 119.479 120.400 0.094 0.000 2.846 452 D HA 0.206 4.847 4.640 0.001 0.000 0.279 452 D C -2.420 174.001 176.300 0.203 0.000 1.222 452 D CA -1.042 53.043 54.000 0.142 0.000 0.769 452 D CB 1.578 42.468 40.800 0.150 0.000 1.299 452 D HN 0.197 nan 8.370 nan 0.000 0.537 453 P HA -0.008 nan 4.420 nan 0.000 0.242 453 P C 1.474 178.832 177.300 0.095 0.000 1.197 453 P CA 0.263 63.454 63.100 0.152 0.000 0.765 453 P CB 0.623 32.423 31.700 0.166 0.000 0.936 454 V N -0.350 119.616 119.914 0.087 0.000 2.346 454 V HA -0.046 4.074 4.120 0.001 0.000 0.244 454 V C 2.607 178.663 176.094 -0.062 0.000 1.037 454 V CA 2.291 64.631 62.300 0.068 0.000 1.029 454 V CB -1.782 30.107 31.823 0.110 0.000 0.663 454 V HN 0.139 nan 8.190 nan 0.000 0.454 455 G N 0.104 108.869 108.800 -0.058 0.000 2.422 455 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 455 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 455 G C 1.587 176.111 174.900 -0.626 0.000 1.140 455 G CA 0.999 45.983 45.100 -0.194 0.000 0.775 455 G HN 0.423 nan 8.290 nan 0.000 0.545 456 L N 1.083 121.756 121.223 -0.917 0.000 2.093 456 L HA 0.039 4.380 4.340 0.001 0.000 0.208 456 L C 2.803 179.259 176.870 -0.689 0.000 1.085 456 L CA 2.156 56.368 54.840 -1.046 0.000 0.755 456 L CB -0.399 41.196 42.059 -0.774 0.000 0.904 456 L HN 0.145 nan 8.230 nan 0.000 0.435 457 S N -0.231 115.207 115.700 -0.437 0.000 2.387 457 S HA -0.014 4.457 4.470 0.001 0.000 0.226 457 S C 2.034 176.473 174.600 -0.268 0.000 1.026 457 S CA 0.868 58.931 58.200 -0.229 0.000 0.972 457 S CB -0.485 62.786 63.200 0.119 0.000 0.814 457 S HN 0.623 nan 8.310 nan 0.000 0.477 458 A N 0.964 123.492 122.820 -0.487 0.000 2.121 458 A HA 0.078 4.399 4.320 0.001 0.000 0.218 458 A C 1.988 179.381 177.584 -0.319 0.000 1.154 458 A CA 1.136 52.763 52.037 -0.684 0.000 0.679 458 A CB -0.471 17.899 19.000 -1.049 0.000 0.795 458 A HN 0.542 nan 8.150 nan 0.000 0.458 459 M N -1.750 117.635 119.600 -0.358 0.000 2.412 459 M HA 0.062 4.542 4.480 0.001 0.000 0.263 459 M C 1.763 177.891 176.300 -0.286 0.000 1.122 459 M CA 1.147 56.257 55.300 -0.316 0.000 1.179 459 M CB 0.010 32.396 32.600 -0.357 0.000 1.335 459 M HN 0.240 nan 8.290 nan 0.000 0.465 460 M N -0.109 119.291 119.600 -0.333 0.000 2.229 460 M HA -0.068 4.412 4.480 0.001 0.000 0.264 460 M C 1.819 178.047 176.300 -0.120 0.000 1.063 460 M CA 1.470 56.608 55.300 -0.269 0.000 1.114 460 M CB -1.458 30.858 32.600 -0.472 0.000 1.387 460 M HN 0.282 nan 8.290 nan 0.000 0.420 461 T N 0.401 114.916 114.554 -0.065 0.000 3.043 461 T HA 0.142 4.492 4.350 0.001 0.000 0.263 461 T C 1.858 176.552 174.700 -0.009 0.000 1.094 461 T CA 1.013 63.146 62.100 0.055 0.000 1.127 461 T CB -0.078 68.901 68.868 0.185 0.000 0.905 461 T HN 0.434 nan 8.240 nan 0.000 0.490 462 A N 1.101 123.801 122.820 -0.200 0.000 2.016 462 A HA 0.230 4.551 4.320 0.001 0.000 0.217 462 A C 2.123 179.502 177.584 -0.342 0.000 1.162 462 A CA 0.541 52.236 52.037 -0.571 0.000 0.662 462 A CB -0.425 18.127 19.000 -0.746 0.000 0.812 462 A HN 0.421 nan 8.150 nan 0.000 0.450 463 L N -0.817 120.283 121.223 -0.205 0.000 2.307 463 L HA 0.030 4.370 4.340 0.001 0.000 0.211 463 L C 2.191 179.020 176.870 -0.068 0.000 1.099 463 L CA 1.548 56.310 54.840 -0.129 0.000 0.816 463 L CB -0.444 41.543 42.059 -0.120 0.000 0.952 463 L HN 0.495 nan 8.230 nan 0.000 0.455 464 K N 0.425 120.796 120.400 -0.048 0.000 2.031 464 K HA -0.166 4.154 4.320 0.001 0.000 0.205 464 K C 1.538 178.151 176.600 0.022 0.000 1.049 464 K CA 1.783 58.071 56.287 0.002 0.000 0.939 464 K CB -0.035 32.483 32.500 0.029 0.000 0.717 464 K HN 0.432 nan 8.250 nan 0.000 0.438 465 N N 0.228 118.934 118.700 0.011 0.000 2.244 465 N HA -0.097 4.643 4.740 0.001 0.000 0.183 465 N C 1.684 177.231 175.510 0.061 0.000 1.016 465 N CA 0.765 53.840 53.050 0.042 0.000 0.866 465 N CB -0.050 38.459 38.487 0.036 0.000 0.980 465 N HN 0.229 nan 8.380 nan 0.000 0.430 466 A N 0.002 122.822 122.820 -0.000 0.000 2.119 466 A HA -0.042 4.278 4.320 0.001 0.000 0.217 466 A C 2.005 179.690 177.584 0.168 0.000 1.153 466 A CA 0.654 52.736 52.037 0.075 0.000 0.692 466 A CB -0.424 18.568 19.000 -0.013 0.000 0.799 466 A HN 0.428 nan 8.150 nan 0.000 0.458 467 C N -0.982 118.383 119.300 0.108 0.000 2.634 467 C HA 0.133 4.593 4.460 0.001 0.000 0.268 467 C C 2.280 177.342 174.990 0.121 0.000 1.322 467 C CA 0.516 59.596 59.018 0.103 0.000 1.737 467 C CB -0.816 26.955 27.740 0.053 0.000 1.976 467 C HN 0.681 nan 8.230 nan 0.000 0.547 468 E N -0.222 120.063 120.200 0.141 0.000 2.276 468 E HA -0.028 4.322 4.350 0.001 0.000 0.193 468 E C 1.610 178.323 176.600 0.189 0.000 0.983 468 E CA 0.578 57.060 56.400 0.136 0.000 0.861 468 E CB -0.075 29.698 29.700 0.121 0.000 0.817 468 E HN 0.705 nan 8.360 nan 0.000 0.485 469 F N 1.446 121.448 119.950 0.087 0.000 2.163 469 F HA -0.159 4.369 4.527 0.001 0.000 0.297 469 F C 2.312 178.212 175.800 0.166 0.000 1.094 469 F CA 1.537 59.600 58.000 0.104 0.000 1.290 469 F CB 0.206 39.267 39.000 0.102 0.000 1.017 469 F HN -0.043 nan 8.300 nan 0.000 0.483 470 S N -0.828 115.045 115.700 0.288 0.000 2.503 470 S HA 0.262 4.732 4.470 0.001 0.000 0.217 470 S C 1.673 176.354 174.600 0.135 0.000 0.999 470 S CA 0.338 58.712 58.200 0.290 0.000 0.914 470 S CB -0.014 63.413 63.200 0.377 0.000 0.782 470 S HN 0.746 nan 8.310 nan 0.000 0.520 471 G N 0.893 109.756 108.800 0.105 0.000 2.168 471 G HA2 -0.234 3.726 3.960 0.001 0.000 0.257 471 G HA3 -0.234 3.726 3.960 0.001 0.000 0.257 471 G C -0.023 174.909 174.900 0.053 0.000 0.997 471 G CA 0.222 45.360 45.100 0.064 0.000 0.708 471 G HN 0.728 nan 8.290 nan 0.000 0.520 472 V N 2.891 122.842 119.914 0.062 0.000 2.348 472 V HA 0.424 4.544 4.120 0.001 0.000 0.270 472 V C -0.941 175.179 176.094 0.044 0.000 1.037 472 V CA -1.378 60.947 62.300 0.040 0.000 0.872 472 V CB 1.387 33.225 31.823 0.025 0.000 1.002 472 V HN 0.266 nan 8.190 nan 0.000 0.464 473 P HA 0.236 nan 4.420 nan 0.000 0.274 473 P C -0.729 176.588 177.300 0.029 0.000 1.246 473 P CA -0.208 62.911 63.100 0.031 0.000 0.795 473 P CB 1.358 33.075 31.700 0.028 0.000 1.006 474 V N 1.305 121.222 119.914 0.006 0.000 2.370 474 V HA 0.301 4.422 4.120 0.001 0.000 0.279 474 V C 1.424 177.492 176.094 -0.043 0.000 1.029 474 V CA 0.004 62.290 62.300 -0.023 0.000 0.870 474 V CB 0.382 32.178 31.823 -0.046 0.000 0.984 474 V HN 0.734 nan 8.190 nan 0.000 0.451 475 A N 4.522 127.301 122.820 -0.067 0.000 1.843 475 A HA 0.221 4.541 4.320 0.001 0.000 0.213 475 A C 1.119 178.607 177.584 -0.158 0.000 1.202 475 A CA 1.256 53.240 52.037 -0.090 0.000 0.607 475 A CB -0.046 18.908 19.000 -0.076 0.000 0.847 475 A HN 0.978 nan 8.150 nan 0.000 0.445 476 S N -3.366 112.178 115.700 -0.260 0.000 2.618 476 S HA 0.737 5.207 4.470 0.001 0.000 0.277 476 S C -0.243 174.220 174.600 -0.228 0.000 1.138 476 S CA -0.131 57.928 58.200 -0.233 0.000 0.844 476 S CB 1.366 64.412 63.200 -0.256 0.000 1.127 476 S HN 1.281 nan 8.310 nan 0.000 0.474 477 G N -0.085 108.604 108.800 -0.185 0.000 2.827 477 G HA2 0.732 4.692 3.960 0.001 0.000 0.296 477 G HA3 0.732 4.692 3.960 0.001 0.000 0.296 477 G C -1.642 173.197 174.900 -0.102 0.000 1.362 477 G CA -0.844 44.164 45.100 -0.153 0.000 0.809 477 G HN 0.922 nan 8.290 nan 0.000 0.522 478 N N -2.518 116.156 118.700 -0.043 0.000 3.127 478 N HA 0.645 5.385 4.740 0.001 0.000 0.239 478 N C -1.519 174.071 175.510 0.132 0.000 1.407 478 N CA 0.085 53.189 53.050 0.089 0.000 0.891 478 N CB 2.100 40.622 38.487 0.057 0.000 1.447 478 N HN 1.164 nan 8.380 nan 0.000 0.507 479 A N 0.770 123.736 122.820 0.244 0.000 2.485 479 A HA 0.604 4.924 4.320 0.001 0.000 0.285 479 A C -1.514 176.135 177.584 0.107 0.000 1.045 479 A CA -0.473 51.670 52.037 0.177 0.000 0.792 479 A CB 1.192 20.344 19.000 0.253 0.000 1.307 479 A HN 0.334 nan 8.150 nan 0.000 0.406 480 S N 2.625 118.394 115.700 0.115 0.000 2.601 480 S HA 0.600 5.070 4.470 0.001 0.000 0.312 480 S C -0.016 174.686 174.600 0.170 0.000 1.107 480 S CA -0.343 57.976 58.200 0.197 0.000 1.129 480 S CB -0.042 63.287 63.200 0.215 0.000 0.982 480 S HN 0.581 nan 8.310 nan 0.000 0.469 481 L N 2.025 123.345 121.223 0.161 0.000 2.544 481 L HA 0.579 4.919 4.340 0.001 0.000 0.256 481 L C -0.160 176.800 176.870 0.150 0.000 1.097 481 L CA -1.144 53.722 54.840 0.043 0.000 0.812 481 L CB 0.037 42.014 42.059 -0.136 0.000 1.440 481 L HN 0.650 nan 8.230 nan 0.000 0.496 482 Y N -0.378 119.925 120.300 0.006 0.000 3.477 482 Y HA -0.236 4.314 4.550 0.001 0.000 0.216 482 Y C 0.017 175.932 175.900 0.026 0.000 1.296 482 Y CA -0.014 58.083 58.100 -0.006 0.000 1.535 482 Y CB -2.144 36.312 38.460 -0.006 0.000 1.482 482 Y HN 0.534 nan 8.280 nan 0.000 0.597 483 N N 1.900 120.654 118.700 0.089 0.000 2.602 483 N HA 0.298 5.039 4.740 0.001 0.000 0.238 483 N C 0.112 175.651 175.510 0.049 0.000 1.084 483 N CA 0.554 53.653 53.050 0.082 0.000 0.952 483 N CB 1.003 39.519 38.487 0.048 0.000 1.244 483 N HN 0.428 nan 8.380 nan 0.000 0.512 484 T N -1.096 113.511 114.554 0.090 0.000 2.903 484 T HA 0.445 4.795 4.350 0.001 0.000 0.299 484 T C -1.219 173.570 174.700 0.149 0.000 1.093 484 T CA -0.739 61.407 62.100 0.077 0.000 1.002 484 T CB 2.107 70.997 68.868 0.037 0.000 1.127 484 T HN 0.288 nan 8.240 nan 0.000 0.488 485 Y N 1.726 122.016 120.300 -0.017 0.000 2.421 485 Y HA 0.415 4.966 4.550 0.000 0.000 0.339 485 Y C 0.454 176.311 175.900 -0.072 0.000 0.996 485 Y CA -0.543 57.530 58.100 -0.044 0.000 1.046 485 Y CB 1.546 39.976 38.460 -0.051 0.000 1.226 485 Y HN 0.849 nan 8.280 nan 0.000 0.445 486 Q N 3.554 122.986 119.800 -0.613 0.000 2.305 486 Q HA -0.237 4.103 4.340 0.001 0.000 0.203 486 Q C 1.110 176.992 176.000 -0.197 0.000 0.663 486 Q CA 1.796 57.339 55.803 -0.432 0.000 1.389 486 Q CB -1.804 26.739 28.738 -0.325 0.000 1.566 486 Q HN 1.677 nan 8.270 nan 0.000 0.755 487 G N 0.263 108.983 108.800 -0.133 0.000 2.234 487 G HA2 -0.336 3.624 3.960 0.001 0.000 0.235 487 G HA3 -0.336 3.624 3.960 0.001 0.000 0.235 487 G C 0.071 174.945 174.900 -0.044 0.000 0.997 487 G CA 0.429 45.489 45.100 -0.066 0.000 0.623 487 G HN 0.285 nan 8.290 nan 0.000 0.514 488 K N 2.471 122.846 120.400 -0.042 0.000 2.383 488 K HA 0.376 4.696 4.320 0.001 0.000 0.286 488 K C -1.805 174.776 176.600 -0.031 0.000 1.051 488 K CA -1.320 54.950 56.287 -0.029 0.000 0.974 488 K CB 0.955 33.447 32.500 -0.013 0.000 0.968 488 K HN 0.189 nan 8.250 nan 0.000 0.475 489 P HA 0.040 nan 4.420 nan 0.000 0.272 489 P C -0.044 177.186 177.300 -0.117 0.000 1.240 489 P CA -0.259 62.770 63.100 -0.118 0.000 0.791 489 P CB 0.787 32.362 31.700 -0.207 0.000 0.978 490 I N 1.742 122.229 120.570 -0.138 0.000 2.581 490 I HA 0.208 4.378 4.170 0.001 0.000 0.288 490 I C -2.054 173.967 176.117 -0.159 0.000 1.047 490 I CA -2.718 58.496 61.300 -0.144 0.000 1.374 490 I CB 1.221 39.188 38.000 -0.055 0.000 1.423 490 I HN 0.173 nan 8.210 nan 0.000 0.549 491 P HA 0.085 nan 4.420 nan 0.000 0.266 491 P C -2.396 174.915 177.300 0.017 0.000 1.215 491 P CA -0.719 62.318 63.100 -0.104 0.000 0.763 491 P CB -0.119 31.481 31.700 -0.166 0.000 0.806 492 P HA -0.061 nan 4.420 nan 0.000 0.252 492 P C -0.450 176.898 177.300 0.079 0.000 1.183 492 P CA 0.684 63.870 63.100 0.142 0.000 0.973 492 P CB -0.036 31.800 31.700 0.226 0.000 0.990 493 T N 4.939 119.530 114.554 0.062 0.000 2.756 493 T HA 0.400 4.750 4.350 0.001 0.000 0.290 493 T C -0.194 174.483 174.700 -0.040 0.000 0.985 493 T CA -0.373 61.722 62.100 -0.009 0.000 0.955 493 T CB 0.312 69.123 68.868 -0.095 0.000 0.930 493 T HN 0.194 nan 8.240 nan 0.000 0.451 494 L N 6.361 127.549 121.223 -0.058 0.000 2.287 494 L HA 0.659 4.999 4.340 0.001 0.000 0.287 494 L C -0.828 176.011 176.870 -0.052 0.000 1.022 494 L CA -0.481 54.321 54.840 -0.063 0.000 0.814 494 L CB 1.093 43.097 42.059 -0.092 0.000 1.217 494 L HN 0.348 nan 8.230 nan 0.000 0.420 495 V N 6.169 126.070 119.914 -0.022 0.000 2.364 495 V HA 0.393 4.513 4.120 0.001 0.000 0.272 495 V C 0.024 176.118 176.094 -0.001 0.000 1.036 495 V CA -0.563 61.746 62.300 0.015 0.000 0.880 495 V CB 1.401 33.266 31.823 0.069 0.000 0.991 495 V HN 0.536 nan 8.190 nan 0.000 0.460 496 V N 3.606 123.525 119.914 0.008 0.000 2.617 496 V HA 0.827 4.947 4.120 0.001 0.000 0.298 496 V C 0.714 176.819 176.094 0.017 0.000 1.048 496 V CA -0.282 62.023 62.300 0.008 0.000 0.964 496 V CB 1.833 33.668 31.823 0.020 0.000 1.004 496 V HN 0.963 nan 8.190 nan 0.000 0.466 497 G N 4.014 112.822 108.800 0.013 0.000 2.760 497 G HA2 0.571 4.531 3.960 0.001 0.000 0.285 497 G HA3 0.571 4.531 3.960 0.001 0.000 0.285 497 G C -0.749 174.212 174.900 0.102 0.000 1.496 497 G CA -0.580 44.525 45.100 0.008 0.000 1.026 497 G HN 0.347 nan 8.290 nan 0.000 0.536 498 M N 1.718 121.319 119.600 0.001 0.000 2.291 498 M HA 0.534 5.015 4.480 0.001 0.000 0.324 498 M C -0.419 175.802 176.300 -0.131 0.000 1.148 498 M CA -0.690 54.598 55.300 -0.019 0.000 1.104 498 M CB 1.748 34.311 32.600 -0.062 0.000 1.483 498 M HN 0.329 nan 8.290 nan 0.000 0.467 499 L N 0.483 121.596 121.223 -0.183 0.000 2.464 499 L HA 0.798 5.138 4.340 0.001 0.000 0.266 499 L C -0.847 175.917 176.870 -0.177 0.000 0.965 499 L CA -0.227 54.416 54.840 -0.328 0.000 0.833 499 L CB 2.187 43.818 42.059 -0.714 0.000 1.296 499 L HN 0.816 nan 8.230 nan 0.000 0.405 500 G N 2.978 111.706 108.800 -0.121 0.000 2.659 500 G HA2 0.343 4.303 3.960 0.001 0.000 0.296 500 G HA3 0.343 4.303 3.960 0.001 0.000 0.296 500 G C -1.949 172.933 174.900 -0.031 0.000 1.369 500 G CA -0.587 44.468 45.100 -0.075 0.000 0.937 500 G HN 0.499 nan 8.290 nan 0.000 0.485 501 K N 0.466 120.852 120.400 -0.022 0.000 2.201 501 K HA 0.651 4.971 4.320 0.001 0.000 0.278 501 K C -1.121 175.480 176.600 0.001 0.000 1.027 501 K CA -0.487 55.804 56.287 0.005 0.000 0.909 501 K CB 1.659 34.164 32.500 0.008 0.000 1.062 501 K HN 0.392 nan 8.250 nan 0.000 0.465 502 V N 3.416 123.335 119.914 0.008 0.000 3.178 502 V HA 0.286 4.407 4.120 0.001 0.000 0.302 502 V C -1.630 174.464 176.094 -0.000 0.000 1.262 502 V CA -0.993 61.305 62.300 -0.004 0.000 1.030 502 V CB 2.248 34.059 31.823 -0.021 0.000 1.074 502 V HN 0.997 nan 8.190 nan 0.000 0.438 503 N N 5.230 123.929 118.700 -0.002 0.000 2.426 503 N HA 0.396 5.136 4.740 0.001 0.000 0.257 503 N C -1.781 173.720 175.510 -0.014 0.000 1.002 503 N CA -1.698 51.352 53.050 0.000 0.000 0.942 503 N CB 2.137 40.629 38.487 0.007 0.000 1.112 503 N HN 0.547 nan 8.380 nan 0.000 0.499 504 P HA -0.139 nan 4.420 nan 0.000 0.226 504 P C 0.575 177.859 177.300 -0.027 0.000 1.146 504 P CA 1.091 64.168 63.100 -0.040 0.000 0.773 504 P CB 0.527 32.196 31.700 -0.051 0.000 0.772 505 Q N -0.029 119.762 119.800 -0.015 0.000 2.259 505 Q HA 0.092 4.432 4.340 0.001 0.000 0.201 505 Q C 1.241 177.235 176.000 -0.009 0.000 0.938 505 Q CA 0.983 56.780 55.803 -0.010 0.000 0.872 505 Q CB -0.066 28.670 28.738 -0.003 0.000 0.971 505 Q HN 0.149 nan 8.270 nan 0.000 0.494 506 K N 1.033 121.429 120.400 -0.007 0.000 3.006 506 K HA 0.164 4.484 4.320 0.001 0.000 0.262 506 K C -0.999 175.597 176.600 -0.006 0.000 1.289 506 K CA -0.194 56.091 56.287 -0.003 0.000 1.245 506 K CB 0.032 32.533 32.500 0.002 0.000 1.614 506 K HN 0.029 nan 8.250 nan 0.000 0.322 507 V N -2.164 117.741 119.914 -0.015 0.000 2.715 507 V HA 0.687 4.807 4.120 0.001 0.000 0.310 507 V C -0.103 175.968 176.094 -0.038 0.000 1.054 507 V CA -1.415 60.872 62.300 -0.021 0.000 0.928 507 V CB 1.663 33.467 31.823 -0.032 0.000 1.007 507 V HN 0.232 nan 8.190 nan 0.000 0.437 508 A N 3.568 126.367 122.820 -0.034 0.000 2.350 508 A HA 0.595 4.915 4.320 0.001 0.000 0.293 508 A C 0.161 177.543 177.584 -0.337 0.000 1.231 508 A CA -0.328 51.657 52.037 -0.086 0.000 0.883 508 A CB -0.106 18.963 19.000 0.116 0.000 1.133 508 A HN 0.716 nan 8.150 nan 0.000 0.533 509 K N 4.017 124.199 120.400 -0.364 0.000 2.274 509 K HA 0.379 4.699 4.320 0.001 0.000 0.262 509 K C -2.760 173.473 176.600 -0.611 0.000 0.961 509 K CA -2.105 53.911 56.287 -0.453 0.000 0.833 509 K CB 1.894 34.298 32.500 -0.161 0.000 1.102 509 K HN 0.464 nan 8.250 nan 0.000 0.436 510 P HA -0.068 nan 4.420 nan 0.000 0.254 510 P C -0.546 176.608 177.300 -0.244 0.000 1.186 510 P CA 0.366 63.026 63.100 -0.733 0.000 0.868 510 P CB -0.083 31.123 31.700 -0.824 0.000 0.856 511 K N 3.901 124.217 120.400 -0.139 0.000 2.123 511 K HA 0.633 4.954 4.320 0.001 0.000 0.248 511 K C -2.865 173.748 176.600 0.022 0.000 0.969 511 K CA -2.778 53.495 56.287 -0.023 0.000 0.882 511 K CB 0.557 33.055 32.500 -0.003 0.000 1.080 511 K HN 0.036 nan 8.250 nan 0.000 0.441 512 P HA 0.036 nan 4.420 nan 0.000 0.269 512 P C -1.116 176.228 177.300 0.072 0.000 1.252 512 P CA 0.144 63.270 63.100 0.045 0.000 0.780 512 P CB 0.740 32.462 31.700 0.037 0.000 0.829 513 S N 2.221 117.987 115.700 0.109 0.000 2.819 513 S HA 0.588 5.059 4.470 0.001 0.000 0.299 513 S C -0.986 173.680 174.600 0.111 0.000 1.192 513 S CA -1.103 57.181 58.200 0.141 0.000 0.847 513 S CB 1.390 64.720 63.200 0.218 0.000 1.224 513 S HN 0.109 nan 8.310 nan 0.000 0.537 514 K N 0.801 121.257 120.400 0.093 0.000 2.156 514 K HA 0.649 4.969 4.320 0.001 0.000 0.271 514 K C -1.135 175.322 176.600 -0.239 0.000 0.995 514 K CA -0.803 55.422 56.287 -0.103 0.000 0.890 514 K CB 1.562 33.974 32.500 -0.146 0.000 1.073 514 K HN 0.426 nan 8.250 nan 0.000 0.454 515 V N 3.611 123.235 119.914 -0.482 0.000 2.439 515 V HA 0.366 4.487 4.120 0.001 0.000 0.282 515 V C -0.613 175.055 176.094 -0.712 0.000 1.039 515 V CA -0.631 61.278 62.300 -0.651 0.000 0.913 515 V CB -0.061 31.351 31.823 -0.684 0.000 0.983 515 V HN 0.516 nan 8.190 nan 0.000 0.460 516 F N 2.186 121.960 119.950 -0.294 0.000 2.507 516 F HA 0.723 5.251 4.527 0.001 0.000 0.325 516 F C 0.420 176.133 175.800 -0.146 0.000 1.116 516 F CA -0.716 57.190 58.000 -0.157 0.000 0.930 516 F CB 1.903 40.849 39.000 -0.090 0.000 1.146 516 F HN 0.536 nan 8.300 nan 0.000 0.447 517 A N 3.328 126.190 122.820 0.069 0.000 2.294 517 A HA 0.634 4.954 4.320 0.001 0.000 0.316 517 A C -0.623 177.021 177.584 0.101 0.000 1.359 517 A CA -0.590 51.476 52.037 0.048 0.000 0.956 517 A CB 0.066 19.077 19.000 0.018 0.000 1.155 517 A HN 0.777 nan 8.150 nan 0.000 0.544 518 V N 1.615 121.590 119.914 0.100 0.000 2.483 518 V HA 0.994 5.114 4.120 0.001 0.000 0.295 518 V C 0.318 176.482 176.094 0.117 0.000 1.035 518 V CA 0.541 62.907 62.300 0.110 0.000 0.896 518 V CB 0.698 32.574 31.823 0.087 0.000 0.986 518 V HN 2.472 nan 8.190 nan 0.000 0.447 519 G N 3.369 112.264 108.800 0.159 0.000 2.373 519 G HA2 0.064 4.024 3.960 0.001 0.000 0.634 519 G HA3 0.064 4.024 3.960 0.001 0.000 0.634 519 G C -1.216 173.861 174.900 0.294 0.000 1.267 519 G CA -0.330 44.860 45.100 0.150 0.000 1.008 519 G HN 1.671 nan 8.290 nan 0.000 0.497 520 W N -0.256 121.092 121.300 0.081 0.000 2.781 520 W HA 0.542 5.202 4.660 0.000 0.000 0.345 520 W C 0.426 177.010 176.519 0.108 0.000 1.085 520 W CA -1.346 56.041 57.345 0.069 0.000 1.198 520 W CB 0.365 29.848 29.460 0.037 0.000 1.423 520 W HN 0.611 nan 8.180 nan 0.000 0.532 521 N N 0.619 119.496 118.700 0.294 0.000 2.223 521 N HA -0.198 4.543 4.740 0.001 0.000 0.185 521 N C 0.079 175.726 175.510 0.228 0.000 1.016 521 N CA 1.449 54.616 53.050 0.195 0.000 0.863 521 N CB 0.029 38.600 38.487 0.141 0.000 0.983 521 N HN 0.317 nan 8.380 nan 0.000 0.429 522 D N -0.697 119.882 120.400 0.298 0.000 2.387 522 D HA 0.197 4.837 4.640 0.001 0.000 0.255 522 D C -0.911 175.559 176.300 0.284 0.000 1.081 522 D CA -0.433 53.745 54.000 0.298 0.000 0.994 522 D CB 1.345 42.326 40.800 0.301 0.000 1.127 522 D HN -0.054 nan 8.370 nan 0.000 0.513 523 F N 0.200 120.208 119.950 0.097 0.000 2.495 523 F HA 0.373 4.900 4.527 0.000 0.000 0.327 523 F C -0.681 175.140 175.800 0.034 0.000 1.103 523 F CA -0.559 57.429 58.000 -0.019 0.000 0.949 523 F CB 1.746 40.734 39.000 -0.020 0.000 1.142 523 F HN 0.134 nan 8.300 nan 0.000 0.457 524 E N 4.790 124.497 120.200 -0.821 0.000 2.428 524 E HA 0.187 4.538 4.350 0.001 0.000 0.307 524 E C -0.453 175.718 176.600 -0.715 0.000 0.902 524 E CA -0.340 55.779 56.400 -0.468 0.000 0.799 524 E CB 1.428 31.173 29.700 0.075 0.000 1.351 524 E HN 0.721 nan 8.360 nan 0.000 0.392 525 L N 3.309 124.160 121.223 -0.621 0.000 2.127 525 L HA -0.077 4.263 4.340 0.001 0.000 0.211 525 L C 1.310 178.107 176.870 -0.122 0.000 1.089 525 L CA 1.835 56.460 54.840 -0.359 0.000 0.757 525 L CB 0.125 42.163 42.059 -0.034 0.000 0.899 525 L HN 0.605 nan 8.230 nan 0.000 0.434 526 E N -0.213 119.960 120.200 -0.046 0.000 2.393 526 E HA -0.191 4.159 4.350 0.001 0.000 0.201 526 E C 0.959 177.601 176.600 0.070 0.000 1.025 526 E CA 0.817 57.245 56.400 0.046 0.000 0.856 526 E CB -0.039 29.685 29.700 0.040 0.000 0.771 526 E HN 0.264 nan 8.360 nan 0.000 0.526 527 R N -0.833 119.703 120.500 0.060 0.000 2.522 527 R HA 0.114 4.454 4.340 0.001 0.000 0.314 527 R C 0.344 176.627 176.300 -0.028 0.000 1.178 527 R CA 0.046 56.219 56.100 0.121 0.000 1.294 527 R CB 0.006 30.509 30.300 0.337 0.000 1.345 527 R HN -0.056 nan 8.270 nan 0.000 0.710 528 E N 0.513 120.605 120.200 -0.181 0.000 2.127 528 E HA 0.043 4.393 4.350 0.001 0.000 0.191 528 E C 0.704 176.974 176.600 -0.552 0.000 0.964 528 E CA 1.178 57.345 56.400 -0.389 0.000 0.832 528 E CB 0.337 29.833 29.700 -0.339 0.000 0.790 528 E HN 0.252 nan 8.360 nan 0.000 0.465 529 K N 0.527 120.633 120.400 -0.489 0.000 2.281 529 K HA -0.120 4.200 4.320 0.001 0.000 0.203 529 K C 1.716 178.205 176.600 -0.186 0.000 1.046 529 K CA 1.108 57.093 56.287 -0.504 0.000 0.938 529 K CB 0.029 32.323 32.500 -0.344 0.000 0.737 529 K HN 0.146 nan 8.250 nan 0.000 0.458 530 E N 0.575 120.712 120.200 -0.105 0.000 2.358 530 E HA -0.111 4.239 4.350 0.001 0.000 0.195 530 E C 1.779 178.408 176.600 0.049 0.000 1.010 530 E CA 0.534 56.945 56.400 0.018 0.000 0.856 530 E CB 0.144 29.899 29.700 0.091 0.000 0.795 530 E HN 0.184 nan 8.360 nan 0.000 0.504 531 L N -0.575 120.637 121.223 -0.017 0.000 2.202 531 L HA 0.006 4.346 4.340 0.001 0.000 0.205 531 L C 1.779 178.777 176.870 0.215 0.000 1.083 531 L CA 1.033 55.906 54.840 0.054 0.000 0.790 531 L CB -0.329 41.708 42.059 -0.037 0.000 0.942 531 L HN 0.037 nan 8.230 nan 0.000 0.452 532 W N 0.645 121.953 121.300 0.013 0.000 2.355 532 W HA -0.069 4.591 4.660 0.000 0.000 0.309 532 W C 2.543 179.068 176.519 0.011 0.000 1.206 532 W CA 0.897 58.249 57.345 0.012 0.000 1.284 532 W CB -0.893 28.574 29.460 0.012 0.000 1.145 532 W HN 0.100 nan 8.180 nan 0.000 0.502 533 R N -0.139 120.511 120.500 0.250 0.000 2.323 533 R HA 0.139 4.479 4.340 0.001 0.000 0.198 533 R C 1.921 178.284 176.300 0.105 0.000 0.988 533 R CA 0.710 56.896 56.100 0.144 0.000 1.041 533 R CB -0.224 30.137 30.300 0.103 0.000 0.926 533 R HN 0.040 nan 8.270 nan 0.000 0.476 534 A N 0.074 122.965 122.820 0.117 0.000 2.035 534 A HA 0.136 4.457 4.320 0.001 0.000 0.208 534 A C 1.825 179.458 177.584 0.081 0.000 1.206 534 A CA 0.142 52.232 52.037 0.089 0.000 0.773 534 A CB 0.144 19.200 19.000 0.095 0.000 0.878 534 A HN 0.132 nan 8.150 nan 0.000 0.469 535 I N -0.693 119.938 120.570 0.102 0.000 2.353 535 I HA -0.167 4.003 4.170 0.001 0.000 0.248 535 I C 2.692 178.844 176.117 0.058 0.000 1.119 535 I CA 0.897 62.244 61.300 0.079 0.000 1.417 535 I CB -0.231 37.821 38.000 0.087 0.000 1.078 535 I HN 0.257 nan 8.210 nan 0.000 0.421 536 R N 0.839 121.377 120.500 0.063 0.000 2.073 536 R HA -0.182 4.158 4.340 0.001 0.000 0.234 536 R C 2.225 178.548 176.300 0.038 0.000 1.134 536 R CA 1.283 57.409 56.100 0.045 0.000 0.952 536 R CB -0.188 30.143 30.300 0.052 0.000 0.850 536 R HN 0.186 nan 8.270 nan 0.000 0.433 537 K N 0.524 120.949 120.400 0.042 0.000 2.515 537 K HA -0.051 4.269 4.320 0.001 0.000 0.196 537 K C 1.434 178.048 176.600 0.023 0.000 1.038 537 K CA 0.643 56.948 56.287 0.030 0.000 0.967 537 K CB 0.237 32.755 32.500 0.030 0.000 0.780 537 K HN 0.188 nan 8.250 nan 0.000 0.483 538 L N -1.122 120.118 121.223 0.029 0.000 2.575 538 L HA 0.051 4.391 4.340 0.001 0.000 0.228 538 L C 2.050 178.942 176.870 0.037 0.000 1.075 538 L CA 0.060 54.916 54.840 0.026 0.000 0.867 538 L CB 0.340 42.416 42.059 0.029 0.000 1.097 538 L HN 0.070 nan 8.230 nan 0.000 0.485 539 S N 0.138 115.861 115.700 0.038 0.000 2.356 539 S HA -0.101 4.369 4.470 0.001 0.000 0.219 539 S C 1.597 176.216 174.600 0.032 0.000 1.036 539 S CA 0.838 59.063 58.200 0.041 0.000 0.965 539 S CB 0.063 63.283 63.200 0.033 0.000 0.864 539 S HN 0.458 nan 8.310 nan 0.000 0.471 540 E N 0.645 120.859 120.200 0.024 0.000 2.516 540 E HA -0.044 4.306 4.350 0.001 0.000 0.199 540 E C 1.186 177.797 176.600 0.019 0.000 1.069 540 E CA 0.404 56.815 56.400 0.020 0.000 0.876 540 E CB -0.128 29.582 29.700 0.016 0.000 0.843 540 E HN 0.606 nan 8.360 nan 0.000 0.530 541 E N 0.462 120.675 120.200 0.022 0.000 2.447 541 E HA 0.074 4.425 4.350 0.001 0.000 0.195 541 E C 0.574 177.188 176.600 0.025 0.000 1.028 541 E CA 0.422 56.833 56.400 0.019 0.000 0.876 541 E CB 0.229 29.937 29.700 0.013 0.000 0.885 541 E HN 0.393 nan 8.360 nan 0.000 0.500 542 G N 0.494 109.314 108.800 0.033 0.000 2.167 542 G HA2 -0.177 3.784 3.960 0.001 0.000 0.194 542 G HA3 -0.177 3.784 3.960 0.001 0.000 0.194 542 G C -0.070 174.869 174.900 0.065 0.000 1.027 542 G CA 0.056 45.179 45.100 0.040 0.000 0.717 542 G HN 0.421 nan 8.290 nan 0.000 0.501 543 A N -0.501 122.371 122.820 0.087 0.000 2.299 543 A HA 0.857 5.177 4.320 0.001 0.000 0.332 543 A C -0.598 177.116 177.584 0.217 0.000 1.131 543 A CA -0.787 51.337 52.037 0.146 0.000 0.844 543 A CB 1.295 20.371 19.000 0.125 0.000 1.251 543 A HN 1.293 nan 8.150 nan 0.000 0.486 544 F N 1.522 121.514 119.950 0.070 0.000 2.385 544 F HA 0.648 5.175 4.527 0.000 0.000 0.360 544 F C -0.773 175.115 175.800 0.146 0.000 1.122 544 F CA -1.530 56.474 58.000 0.007 0.000 1.090 544 F CB 0.356 39.270 39.000 -0.144 0.000 1.150 544 F HN 0.319 nan 8.300 nan 0.000 0.472 545 I N 5.925 126.434 120.570 -0.100 0.000 2.607 545 I HA 0.460 4.631 4.170 0.001 0.000 0.305 545 I C -0.927 174.969 176.117 -0.367 0.000 0.995 545 I CA -0.588 60.636 61.300 -0.128 0.000 1.148 545 I CB 1.905 39.900 38.000 -0.008 0.000 1.323 545 I HN 0.456 nan 8.210 nan 0.000 0.461 546 L N 3.600 124.722 121.223 -0.168 0.000 2.504 546 L HA 0.361 4.701 4.340 0.001 0.000 0.265 546 L C -0.770 176.123 176.870 0.039 0.000 0.975 546 L CA -0.227 54.542 54.840 -0.119 0.000 0.864 546 L CB 1.790 43.816 42.059 -0.054 0.000 1.212 546 L HN 0.579 nan 8.230 nan 0.000 0.416 547 S N 2.285 118.004 115.700 0.032 0.000 2.448 547 S HA 0.679 5.149 4.470 0.001 0.000 0.320 547 S C -0.678 173.966 174.600 0.074 0.000 1.071 547 S CA -0.178 58.057 58.200 0.058 0.000 1.113 547 S CB 1.134 64.341 63.200 0.011 0.000 0.972 547 S HN 0.556 nan 8.310 nan 0.000 0.465 548 S N 2.695 118.478 115.700 0.137 0.000 2.564 548 S HA 0.453 4.923 4.470 0.001 0.000 0.274 548 S C 0.999 175.718 174.600 0.198 0.000 1.124 548 S CA -0.683 57.595 58.200 0.129 0.000 0.869 548 S CB 1.749 65.039 63.200 0.149 0.000 1.105 548 S HN 0.706 nan 8.310 nan 0.000 0.472 549 S N 1.817 117.620 115.700 0.172 0.000 2.383 549 S HA -0.136 4.335 4.470 0.001 0.000 0.229 549 S C 1.155 175.865 174.600 0.183 0.000 1.030 549 S CA 1.304 59.633 58.200 0.215 0.000 1.002 549 S CB -0.197 63.079 63.200 0.127 0.000 0.829 549 S HN 0.705 nan 8.310 nan 0.000 0.467 550 Q N -0.052 119.795 119.800 0.079 0.000 2.175 550 Q HA 0.497 4.837 4.340 0.001 0.000 0.225 550 Q C 0.578 176.567 176.000 -0.018 0.000 0.837 550 Q CA -0.156 55.650 55.803 0.005 0.000 1.032 550 Q CB 0.003 28.739 28.738 -0.003 0.000 1.137 550 Q HN 0.325 nan 8.270 nan 0.000 0.483 551 L N -1.794 119.443 121.223 0.024 0.000 3.447 551 L HA -0.331 4.010 4.340 0.001 0.000 0.337 551 L C -0.225 176.685 176.870 0.068 0.000 4.145 551 L CA 1.303 56.172 54.840 0.048 0.000 1.229 551 L CB -0.890 41.163 42.059 -0.010 0.000 3.307 551 L HN 0.301 nan 8.230 nan 0.000 0.751 552 L N 0.218 121.442 121.223 0.001 0.000 2.470 552 L HA 0.590 4.930 4.340 0.001 0.000 0.268 552 L C 0.030 176.800 176.870 -0.166 0.000 0.964 552 L CA 0.397 55.229 54.840 -0.014 0.000 0.839 552 L CB 1.837 43.982 42.059 0.144 0.000 1.276 552 L HN 0.250 nan 8.230 nan 0.000 0.403 553 T N 0.365 114.635 114.554 -0.473 0.000 2.938 553 T HA 0.438 4.788 4.350 0.001 0.000 0.285 553 T C 0.979 175.659 174.700 -0.033 0.000 1.028 553 T CA -0.558 61.397 62.100 -0.241 0.000 1.005 553 T CB 1.497 70.208 68.868 -0.261 0.000 1.157 553 T HN 0.588 nan 8.240 nan 0.000 0.550 554 R N 0.220 120.727 120.500 0.012 0.000 2.117 554 R HA -0.081 4.259 4.340 0.001 0.000 0.243 554 R C 2.200 178.551 176.300 0.086 0.000 1.143 554 R CA 2.344 58.476 56.100 0.053 0.000 0.968 554 R CB -1.402 28.914 30.300 0.027 0.000 0.863 554 R HN 0.828 nan 8.270 nan 0.000 0.444 555 T N -0.291 114.323 114.554 0.100 0.000 2.777 555 T HA -0.092 4.258 4.350 0.001 0.000 0.266 555 T C 1.224 176.055 174.700 0.219 0.000 1.040 555 T CA 1.580 63.763 62.100 0.138 0.000 1.141 555 T CB -0.362 68.619 68.868 0.188 0.000 0.868 555 T HN 0.368 nan 8.240 nan 0.000 0.444 556 H N 0.651 119.763 119.070 0.070 0.000 2.357 556 H HA 0.063 4.620 4.556 0.001 0.000 0.301 556 H C 2.358 177.831 175.328 0.241 0.000 1.082 556 H CA 0.585 56.698 56.048 0.109 0.000 1.342 556 H CB -0.896 29.005 29.762 0.232 0.000 1.389 556 H HN 0.190 nan 8.280 nan 0.000 0.511 557 V N 0.416 120.586 119.914 0.426 0.000 2.548 557 V HA -0.132 3.989 4.120 0.001 0.000 0.249 557 V C 2.203 178.479 176.094 0.304 0.000 1.055 557 V CA 1.619 64.174 62.300 0.425 0.000 1.065 557 V CB -0.236 31.749 31.823 0.269 0.000 0.681 557 V HN 0.259 nan 8.190 nan 0.000 0.462 558 E N 0.529 120.836 120.200 0.179 0.000 2.170 558 E HA -0.088 4.262 4.350 0.001 0.000 0.191 558 E C 2.199 178.845 176.600 0.077 0.000 0.981 558 E CA 1.249 57.707 56.400 0.097 0.000 0.830 558 E CB -0.229 29.483 29.700 0.019 0.000 0.775 558 E HN 0.629 nan 8.360 nan 0.000 0.470 559 T N -0.202 114.352 114.554 -0.001 0.000 3.043 559 T HA 0.006 4.356 4.350 0.001 0.000 0.263 559 T C 1.165 175.927 174.700 0.103 0.000 1.094 559 T CA 0.312 62.327 62.100 -0.141 0.000 1.127 559 T CB -0.208 68.213 68.868 -0.745 0.000 0.905 559 T HN 0.056 nan 8.240 nan 0.000 0.490 560 F N 1.614 121.715 119.950 0.251 0.000 2.234 560 F HA 0.237 4.765 4.527 0.001 0.000 0.296 560 F C 2.483 178.433 175.800 0.250 0.000 1.089 560 F CA 0.174 58.367 58.000 0.321 0.000 1.343 560 F CB -0.272 38.891 39.000 0.272 0.000 1.040 560 F HN -0.034 nan 8.300 nan 0.000 0.498 561 R N -0.055 120.673 120.500 0.379 0.000 2.148 561 R HA -0.143 4.197 4.340 0.001 0.000 0.227 561 R C 1.823 178.246 176.300 0.205 0.000 1.103 561 R CA 1.003 57.247 56.100 0.240 0.000 0.983 561 R CB -0.127 30.270 30.300 0.161 0.000 0.874 561 R HN 0.103 nan 8.270 nan 0.000 0.451 562 E N -0.875 119.457 120.200 0.221 0.000 2.347 562 E HA -0.129 4.221 4.350 0.001 0.000 0.196 562 E C 0.349 177.023 176.600 0.124 0.000 1.008 562 E CA 0.913 57.396 56.400 0.139 0.000 0.852 562 E CB 0.104 29.870 29.700 0.109 0.000 0.783 562 E HN 0.318 nan 8.360 nan 0.000 0.505 563 Y N -1.070 119.309 120.300 0.132 0.000 2.485 563 Y HA 0.290 4.840 4.550 0.000 0.000 0.260 563 Y C 1.218 177.183 175.900 0.108 0.000 1.173 563 Y CA 0.344 58.520 58.100 0.126 0.000 1.252 563 Y CB 0.934 39.507 38.460 0.189 0.000 1.123 563 Y HN 0.071 nan 8.280 nan 0.000 0.524 564 G N 1.221 110.158 108.800 0.228 0.000 2.256 564 G HA2 -0.266 3.695 3.960 0.001 0.000 0.272 564 G HA3 -0.266 3.695 3.960 0.001 0.000 0.272 564 G C -0.526 174.464 174.900 0.149 0.000 1.076 564 G CA 0.114 45.304 45.100 0.149 0.000 0.882 564 G HN 0.280 nan 8.290 nan 0.000 0.497 565 L N -0.573 120.765 121.223 0.192 0.000 2.381 565 L HA 0.701 5.041 4.340 0.001 0.000 0.268 565 L C 0.285 177.206 176.870 0.086 0.000 0.997 565 L CA -1.191 53.718 54.840 0.116 0.000 0.818 565 L CB 2.243 44.367 42.059 0.107 0.000 1.310 565 L HN 0.332 nan 8.230 nan 0.000 0.416 566 K N 2.707 123.114 120.400 0.013 0.000 2.259 566 K HA 0.715 5.035 4.320 0.001 0.000 0.252 566 K C -1.240 175.325 176.600 -0.059 0.000 0.936 566 K CA -0.652 55.641 56.287 0.011 0.000 0.810 566 K CB 3.081 35.597 32.500 0.025 0.000 1.143 566 K HN 0.545 nan 8.250 nan 0.000 0.427 567 I N 2.054 122.599 120.570 -0.042 0.000 2.433 567 I HA 0.201 4.371 4.170 0.001 0.000 0.292 567 I C -1.213 174.900 176.117 -0.006 0.000 1.001 567 I CA -0.512 60.753 61.300 -0.059 0.000 1.119 567 I CB 1.418 39.368 38.000 -0.084 0.000 1.289 567 I HN 0.867 nan 8.210 nan 0.000 0.438 568 E N 7.761 127.947 120.200 -0.024 0.000 2.325 568 E HA 0.545 4.895 4.350 0.001 0.000 0.248 568 E C -1.377 175.198 176.600 -0.041 0.000 0.912 568 E CA -0.725 55.663 56.400 -0.019 0.000 0.782 568 E CB 1.758 31.446 29.700 -0.020 0.000 1.264 568 E HN 0.386 nan 8.360 nan 0.000 0.417 569 V N -0.433 119.461 119.914 -0.033 0.000 3.160 569 V HA 0.573 4.693 4.120 0.001 0.000 0.310 569 V C -0.630 175.441 176.094 -0.039 0.000 1.181 569 V CA -1.263 61.004 62.300 -0.056 0.000 1.047 569 V CB 2.228 34.009 31.823 -0.071 0.000 1.068 569 V HN 0.637 nan 8.190 nan 0.000 0.441 570 K N 2.106 122.476 120.400 -0.050 0.000 2.432 570 K HA 0.517 4.837 4.320 0.001 0.000 0.226 570 K C -0.865 175.713 176.600 -0.036 0.000 1.057 570 K CA -0.582 55.684 56.287 -0.036 0.000 1.034 570 K CB 0.504 32.982 32.500 -0.037 0.000 1.561 570 K HN 0.777 nan 8.250 nan 0.000 0.492 571 L N 5.280 126.487 121.223 -0.027 0.000 2.562 571 L HA 0.076 4.417 4.340 0.001 0.000 0.271 571 L C -1.930 174.924 176.870 -0.026 0.000 1.167 571 L CA -1.549 53.275 54.840 -0.027 0.000 0.917 571 L CB -0.024 42.024 42.059 -0.018 0.000 1.187 571 L HN 0.344 nan 8.230 nan 0.000 0.482 572 P HA 0.048 nan 4.420 nan 0.000 0.271 572 P C -0.322 176.961 177.300 -0.028 0.000 1.233 572 P CA -0.284 62.807 63.100 -0.016 0.000 0.764 572 P CB 0.491 32.189 31.700 -0.002 0.000 0.825 573 E N 2.703 122.891 120.200 -0.021 0.000 2.415 573 E HA 0.157 4.507 4.350 0.001 0.000 0.260 573 E C -0.164 176.418 176.600 -0.030 0.000 1.016 573 E CA -0.348 56.036 56.400 -0.028 0.000 0.924 573 E CB 0.313 30.007 29.700 -0.010 0.000 0.961 573 E HN 0.250 nan 8.360 nan 0.000 0.459 574 V N 1.859 121.729 119.914 -0.073 0.000 2.881 574 V HA 0.559 4.680 4.120 0.001 0.000 0.316 574 V C 0.104 176.178 176.094 -0.034 0.000 1.070 574 V CA -1.187 61.068 62.300 -0.075 0.000 0.976 574 V CB 1.698 33.371 31.823 -0.251 0.000 1.038 574 V HN 0.585 nan 8.190 nan 0.000 0.446 575 R N 2.002 122.526 120.500 0.041 0.000 2.594 575 R HA 0.270 4.610 4.340 0.001 0.000 0.272 575 R C -1.717 174.639 176.300 0.093 0.000 1.074 575 R CA -1.271 54.877 56.100 0.081 0.000 1.105 575 R CB 0.581 30.959 30.300 0.130 0.000 1.008 575 R HN 0.538 nan 8.270 nan 0.000 0.472 576 P HA -0.215 nan 4.420 nan 0.000 0.218 576 P C -0.206 177.098 177.300 0.006 0.000 1.154 576 P CA 1.531 64.647 63.100 0.026 0.000 0.872 576 P CB 0.221 31.912 31.700 -0.015 0.000 0.790 577 A N -0.205 122.606 122.820 -0.015 0.000 2.366 577 A HA 0.430 4.751 4.320 0.001 0.000 0.322 577 A C -0.138 177.518 177.584 0.120 0.000 1.397 577 A CA -0.239 51.716 52.037 -0.136 0.000 0.984 577 A CB -0.965 17.917 19.000 -0.196 0.000 1.149 577 A HN 0.371 nan 8.150 nan 0.000 0.540 578 H N -0.887 118.199 119.070 0.027 0.000 2.908 578 H HA 0.736 5.292 4.556 0.001 0.000 0.350 578 H C -0.672 174.739 175.328 0.139 0.000 1.217 578 H CA -0.944 55.173 56.048 0.115 0.000 1.168 578 H CB 1.176 30.974 29.762 0.059 0.000 1.891 578 H HN 0.307 nan 8.280 nan 0.000 0.566 579 Q N 1.046 120.862 119.800 0.027 0.000 2.928 579 Q HA 0.309 4.649 4.340 0.001 0.000 0.353 579 Q C -1.309 174.663 176.000 -0.046 0.000 0.870 579 Q CA -0.197 55.508 55.803 -0.164 0.000 0.963 579 Q CB 0.967 29.369 28.738 -0.561 0.000 1.419 579 Q HN 0.577 nan 8.270 nan 0.000 0.396 580 M N 1.354 121.087 119.600 0.222 0.000 2.501 580 M HA 0.652 5.132 4.480 0.001 0.000 0.293 580 M C -1.525 174.909 176.300 0.222 0.000 1.192 580 M CA -0.986 54.456 55.300 0.236 0.000 0.886 580 M CB 2.288 35.047 32.600 0.265 0.000 1.710 580 M HN 0.141 nan 8.290 nan 0.000 0.457 581 V N 1.742 121.738 119.914 0.136 0.000 3.078 581 V HA 0.684 4.804 4.120 0.001 0.000 0.311 581 V C -1.556 174.585 176.094 0.078 0.000 1.138 581 V CA -0.955 61.410 62.300 0.110 0.000 1.007 581 V CB 2.103 33.974 31.823 0.080 0.000 1.045 581 V HN 0.874 nan 8.190 nan 0.000 0.432 582 L N 2.880 124.143 121.223 0.066 0.000 2.272 582 L HA 0.703 5.044 4.340 0.001 0.000 0.289 582 L C -0.589 176.280 176.870 -0.003 0.000 1.032 582 L CA -0.744 54.089 54.840 -0.012 0.000 0.810 582 L CB 1.624 43.671 42.059 -0.021 0.000 1.205 582 L HN 0.529 nan 8.230 nan 0.000 0.422 583 V N 3.503 123.403 119.914 -0.023 0.000 2.398 583 V HA 0.350 4.471 4.120 0.001 0.000 0.286 583 V C -0.463 175.694 176.094 0.106 0.000 1.026 583 V CA -0.278 62.086 62.300 0.107 0.000 0.868 583 V CB 1.516 33.399 31.823 0.100 0.000 0.982 583 V HN 0.406 nan 8.190 nan 0.000 0.443 584 F N 3.546 123.586 119.950 0.149 0.000 2.334 584 F HA 0.453 4.981 4.527 0.000 0.000 0.343 584 F C 0.944 176.867 175.800 0.205 0.000 1.136 584 F CA -0.380 57.742 58.000 0.203 0.000 1.237 584 F CB 0.828 39.961 39.000 0.222 0.000 1.525 584 F HN 0.544 nan 8.300 nan 0.000 0.528 585 S N -0.576 115.337 115.700 0.355 0.000 2.768 585 S HA 0.477 4.947 4.470 0.001 0.000 0.300 585 S C 0.956 175.695 174.600 0.232 0.000 1.122 585 S CA -0.693 57.637 58.200 0.216 0.000 0.995 585 S CB 1.887 65.125 63.200 0.063 0.000 1.195 585 S HN 0.309 nan 8.310 nan 0.000 0.547 586 E N 0.359 120.643 120.200 0.140 0.000 2.042 586 E HA 0.206 4.556 4.350 0.001 0.000 0.189 586 E C 0.649 177.330 176.600 0.134 0.000 0.974 586 E CA 0.770 57.247 56.400 0.128 0.000 0.806 586 E CB 0.032 29.779 29.700 0.078 0.000 0.769 586 E HN 0.522 nan 8.360 nan 0.000 0.451 587 R N -0.049 120.484 120.500 0.055 0.000 2.856 587 R HA 0.303 4.643 4.340 0.001 0.000 0.258 587 R C -0.620 175.574 176.300 -0.175 0.000 1.066 587 R CA -0.386 55.724 56.100 0.017 0.000 1.045 587 R CB 1.368 31.667 30.300 -0.002 0.000 1.178 587 R HN -0.105 nan 8.270 nan 0.000 0.499 588 T N 3.893 118.326 114.554 -0.202 0.000 2.778 588 T HA 0.040 4.390 4.350 0.001 0.000 0.282 588 T C -2.266 172.173 174.700 -0.435 0.000 0.983 588 T CA -0.596 61.211 62.100 -0.488 0.000 1.193 588 T CB 0.100 68.890 68.868 -0.131 0.000 0.938 588 T HN 0.302 nan 8.240 nan 0.000 0.523 589 P HA 0.096 nan 4.420 nan 0.000 0.262 589 P C -0.230 176.967 177.300 -0.172 0.000 1.182 589 P CA -0.249 62.659 63.100 -0.319 0.000 0.761 589 P CB 0.232 31.737 31.700 -0.325 0.000 0.795 590 V N 3.363 123.215 119.914 -0.104 0.000 2.258 590 V HA 0.468 4.588 4.120 0.001 0.000 0.258 590 V C 0.182 176.259 176.094 -0.029 0.000 1.121 590 V CA -0.579 61.687 62.300 -0.056 0.000 0.942 590 V CB 0.091 31.889 31.823 -0.042 0.000 1.170 590 V HN 0.317 nan 8.190 nan 0.000 0.487 591 V N 0.632 120.536 119.914 -0.017 0.000 3.181 591 V HA 0.656 4.776 4.120 0.001 0.000 0.308 591 V C -0.680 175.427 176.094 0.023 0.000 1.214 591 V CA -0.971 61.335 62.300 0.010 0.000 1.053 591 V CB 2.271 34.108 31.823 0.024 0.000 1.069 591 V HN 0.546 nan 8.190 nan 0.000 0.441 592 D N 0.833 121.256 120.400 0.039 0.000 3.110 592 D HA 0.616 5.257 4.640 0.001 0.000 0.254 592 D C -0.542 175.804 176.300 0.077 0.000 1.283 592 D CA 0.213 54.238 54.000 0.043 0.000 0.944 592 D CB 1.079 41.901 40.800 0.036 0.000 1.066 592 D HN 0.494 nan 8.370 nan 0.000 0.496 593 V N 0.794 120.763 119.914 0.092 0.000 3.098 593 V HA 0.265 4.385 4.120 0.001 0.000 0.294 593 V C -2.421 173.757 176.094 0.140 0.000 1.351 593 V CA -2.090 60.309 62.300 0.166 0.000 0.999 593 V CB 2.677 34.636 31.823 0.226 0.000 1.104 593 V HN 0.049 nan 8.190 nan 0.000 0.438 594 P HA 0.093 nan 4.420 nan 0.000 0.256 594 P C -1.083 176.292 177.300 0.125 0.000 1.173 594 P CA 0.429 63.608 63.100 0.132 0.000 0.768 594 P CB 0.133 31.933 31.700 0.167 0.000 0.758 595 V N 5.535 125.504 119.914 0.092 0.000 2.326 595 V HA 0.298 4.418 4.120 0.001 0.000 0.281 595 V C 0.215 176.392 176.094 0.139 0.000 1.015 595 V CA -0.404 61.956 62.300 0.100 0.000 0.823 595 V CB 1.116 32.959 31.823 0.034 0.000 1.009 595 V HN 0.379 nan 8.190 nan 0.000 0.436 596 K N 2.756 123.252 120.400 0.160 0.000 2.292 596 K HA 0.465 4.786 4.320 0.001 0.000 0.257 596 K C -0.265 176.421 176.600 0.143 0.000 0.940 596 K CA -0.512 55.854 56.287 0.133 0.000 0.811 596 K CB 2.359 34.902 32.500 0.071 0.000 1.120 596 K HN 0.699 nan 8.250 nan 0.000 0.428 597 E N 3.826 124.073 120.200 0.078 0.000 2.180 597 E HA 0.071 4.421 4.350 0.001 0.000 0.283 597 E C 0.256 176.719 176.600 -0.228 0.000 1.061 597 E CA -0.099 56.164 56.400 -0.228 0.000 0.861 597 E CB 0.385 29.960 29.700 -0.209 0.000 1.056 597 E HN 0.646 nan 8.360 nan 0.000 0.407 598 I N 1.254 121.645 120.570 -0.299 0.000 4.139 598 I HA 0.524 4.694 4.170 0.001 0.000 0.335 598 I C 0.718 176.710 176.117 -0.209 0.000 1.327 598 I CA -0.215 60.967 61.300 -0.197 0.000 1.112 598 I CB 0.795 38.708 38.000 -0.145 0.000 1.058 598 I HN 0.549 nan 8.210 nan 0.000 0.396 599 G N 1.151 109.779 108.800 -0.287 0.000 2.452 599 G HA2 0.421 4.382 3.960 0.001 0.000 0.224 599 G HA3 0.421 4.382 3.960 0.001 0.000 0.224 599 G C -0.920 173.842 174.900 -0.230 0.000 1.208 599 G CA 0.139 45.111 45.100 -0.213 0.000 0.946 599 G HN 0.316 nan 8.290 nan 0.000 0.481 600 T N -2.367 112.097 114.554 -0.151 0.000 2.787 600 T HA 0.726 5.076 4.350 0.001 0.000 0.297 600 T C -1.690 172.973 174.700 -0.062 0.000 1.221 600 T CA -0.625 61.412 62.100 -0.105 0.000 1.006 600 T CB 2.146 70.971 68.868 -0.071 0.000 1.328 600 T HN 1.555 nan 8.240 nan 0.000 0.509 601 L N 2.109 123.317 121.223 -0.025 0.000 2.491 601 L HA 0.704 5.044 4.340 0.001 0.000 0.267 601 L C -0.236 176.620 176.870 -0.024 0.000 0.971 601 L CA 0.055 54.868 54.840 -0.045 0.000 0.857 601 L CB 1.527 43.575 42.059 -0.017 0.000 1.226 601 L HN 1.154 nan 8.230 nan 0.000 0.408 602 S N 3.740 119.425 115.700 -0.024 0.000 2.823 602 S HA 0.864 5.335 4.470 0.001 0.000 0.316 602 S C -0.217 174.389 174.600 0.011 0.000 1.116 602 S CA -0.770 57.429 58.200 -0.001 0.000 0.911 602 S CB 1.706 64.906 63.200 -0.001 0.000 1.276 602 S HN 0.733 nan 8.310 nan 0.000 0.565 603 R N 0.000 120.512 120.500 0.019 0.000 2.786 603 R HA 0.000 4.340 4.340 0.001 0.000 0.208 603 R CA 0.000 56.117 56.100 0.028 0.000 0.921 603 R CB 0.000 30.319 30.300 0.032 0.000 0.687 603 R HN 0.000 nan 8.270 nan 0.000 0.535