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 1ami_1_A DATA FIRST_RESID 2 DATA SEQUENCE RAKVAMSHFE PHEYIRYDLL EKNIDIVRKR LNRPLTLSEK IVYGHLDDPA DATA SEQUENCE NQEIERGKTY LRLRPDRVAM QDATAQMAML QFISSGLPKV AVPSTIHCDH DATA SEQUENCE LIEAQLGGEK DLRRAKDINQ EVYNFLATAG AKYGVGFWRP GSGIIHQIIL DATA SEQUENCE ENYAYPGVLL IGTDSHTPNG GGLGGICIGV GGADAVDVMA GIPWELKCPK DATA SEQUENCE VIGVKLTGSL SGWTSPKDVI LKVAGILTVK GGTGAIVEYH GPGVDSISCT DATA SEQUENCE GMATICNMGA EIGATTSVFP YNHRMKKYLS KTGRADIANL ADEFKDHLVP DATA SEQUENCE DSGCHYDQLI EINLSELKPH INGPFTPDLA HPVAEVGSVA EKEGWPLDIR DATA SEQUENCE VGLIGSCTNS SYEDMGRSAA VAKQALAHGL KCKSQFTITP GSEQIRATIE DATA SEQUENCE RDGYAQVLRD VGGIVLANAC GPCIGQWDRK DIKKGEKNTI VTSYNRNFTG DATA SEQUENCE RNDANPETHA FVTSPEIVTA LAIAGTLKFN PETDFLTGKD GKKFKLEAPD DATA SEQUENCE ADELPRAEFD PGQDTYQHPP KDSSGQRVDV SPTSQRLQLL EPFDKWDGKD DATA SEQUENCE LEDLQILIKV KGKCTTDHIS AAGPWLKFRG HLDNISNNLL IGAINSENRK DATA SEQUENCE ANSVRNAVTQ EFGPVPDTAR YYKQHGIRWV VIGDENYGEG SSREHSALEP DATA SEQUENCE RFLGGRAIIT KSFARIHETN LKKQGLLPLT FADPADYNKI HPVDKLTIQG DATA SEQUENCE LKDFAPGKPL TCIIKHPNGT QETILLNHTF NETQIEWFRA GSALNRMKEL DATA SEQUENCE QQK 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.289 176.300 -0.018 0.000 0.893 2 R CA 0.000 56.119 56.100 0.031 0.000 0.921 2 R CB 0.000 30.344 30.300 0.074 0.000 0.687 3 A N 1.484 124.298 122.820 -0.010 0.000 2.322 3 A HA 0.601 4.921 4.320 0.001 0.000 0.269 3 A C -0.692 176.767 177.584 -0.209 0.000 1.094 3 A CA -0.117 51.883 52.037 -0.062 0.000 0.807 3 A CB 0.388 19.397 19.000 0.015 0.000 1.047 3 A HN 0.371 nan 8.150 nan 0.000 0.487 4 K N 1.442 121.652 120.400 -0.318 0.000 2.562 4 K HA 0.455 4.775 4.320 0.001 0.000 0.206 4 K C -1.515 174.868 176.600 -0.362 0.000 1.033 4 K CA -0.135 55.724 56.287 -0.713 0.000 1.029 4 K CB 1.404 33.388 32.500 -0.860 0.000 1.393 4 K HN 0.371 nan 8.250 nan 0.000 0.539 5 V N 2.276 122.097 119.914 -0.155 0.000 2.384 5 V HA 0.404 4.524 4.120 0.001 0.000 0.287 5 V C 0.171 176.309 176.094 0.073 0.000 1.020 5 V CA -0.949 61.326 62.300 -0.041 0.000 0.850 5 V CB 1.439 33.195 31.823 -0.110 0.000 0.987 5 V HN 0.742 nan 8.190 nan 0.000 0.436 6 A N 5.261 128.145 122.820 0.106 0.000 2.386 6 A HA 0.428 4.748 4.320 0.001 0.000 0.248 6 A C 1.199 178.704 177.584 -0.132 0.000 1.082 6 A CA -0.142 51.903 52.037 0.014 0.000 0.789 6 A CB 0.244 19.226 19.000 -0.031 0.000 1.025 6 A HN 0.908 nan 8.150 nan 0.000 0.490 7 M N 1.009 120.516 119.600 -0.156 0.000 2.279 7 M HA -0.066 4.414 4.480 0.001 0.000 0.264 7 M C 0.763 177.035 176.300 -0.046 0.000 1.062 7 M CA 1.675 56.886 55.300 -0.148 0.000 1.099 7 M CB -0.382 32.228 32.600 0.017 0.000 1.394 7 M HN 0.937 nan 8.290 nan 0.000 0.426 8 S N -2.895 112.780 115.700 -0.043 0.000 2.661 8 S HA 0.281 4.752 4.470 0.001 0.000 0.268 8 S C 0.071 174.580 174.600 -0.152 0.000 1.162 8 S CA -1.037 57.098 58.200 -0.109 0.000 0.817 8 S CB 0.547 63.812 63.200 0.108 0.000 1.141 8 S HN 0.156 nan 8.310 nan 0.000 0.477 9 H N 0.071 118.885 119.070 -0.427 0.000 2.521 9 H HA 0.242 4.798 4.556 0.000 0.000 0.286 9 H C 0.613 175.475 175.328 -0.776 0.000 1.034 9 H CA 0.837 56.487 56.048 -0.663 0.000 1.278 9 H CB -0.381 28.829 29.762 -0.919 0.000 1.386 9 H HN 0.594 nan 8.280 nan 0.000 0.567 10 F N -0.034 119.904 119.950 -0.021 0.000 2.746 10 F HA 0.206 4.734 4.527 0.000 0.000 0.297 10 F C 0.353 176.139 175.800 -0.024 0.000 1.113 10 F CA 0.069 58.020 58.000 -0.081 0.000 1.367 10 F CB 0.574 39.475 39.000 -0.164 0.000 1.111 10 F HN -0.055 nan 8.300 nan 0.000 0.590 11 E N 1.280 121.523 120.200 0.071 0.000 3.374 11 E HA 0.164 4.515 4.350 0.001 0.000 0.223 11 E C -1.930 174.433 176.600 -0.395 0.000 1.210 11 E CA -1.467 54.865 56.400 -0.113 0.000 0.987 11 E CB 0.839 30.502 29.700 -0.062 0.000 1.322 11 E HN -0.052 nan 8.360 nan 0.000 0.404 12 P HA -0.153 nan 4.420 nan 0.000 0.230 12 P C 0.353 177.530 177.300 -0.206 0.000 1.158 12 P CA 1.128 64.153 63.100 -0.126 0.000 0.769 12 P CB 0.052 31.753 31.700 0.001 0.000 0.807 13 H N -3.581 115.350 119.070 -0.232 0.000 2.893 13 H HA 0.372 4.929 4.556 0.001 0.000 0.270 13 H C 0.141 175.050 175.328 -0.700 0.000 1.095 13 H CA -0.381 55.401 56.048 -0.443 0.000 1.186 13 H CB -0.142 29.509 29.762 -0.185 0.000 1.562 13 H HN -0.136 nan 8.280 nan 0.000 0.536 14 E N 1.660 121.296 120.200 -0.939 0.000 2.092 14 E HA 0.173 4.524 4.350 0.001 0.000 0.271 14 E C -1.115 175.192 176.600 -0.489 0.000 0.919 14 E CA -0.619 55.453 56.400 -0.548 0.000 0.760 14 E CB 0.917 30.411 29.700 -0.343 0.000 1.106 14 E HN 0.351 nan 8.360 nan 0.000 0.408 15 Y N 1.203 121.452 120.300 -0.085 0.000 2.352 15 Y HA 0.362 4.912 4.550 0.000 0.000 0.326 15 Y C 1.095 176.895 175.900 -0.167 0.000 1.166 15 Y CA -1.021 57.003 58.100 -0.127 0.000 1.182 15 Y CB 0.782 39.185 38.460 -0.094 0.000 1.216 15 Y HN 0.348 nan 8.280 nan 0.000 0.474 16 I N 4.133 124.633 120.570 -0.117 0.000 2.618 16 I HA 0.064 4.235 4.170 0.001 0.000 0.284 16 I C 0.364 176.314 176.117 -0.280 0.000 1.146 16 I CA 0.020 61.118 61.300 -0.337 0.000 1.425 16 I CB 0.365 37.922 38.000 -0.737 0.000 1.383 16 I HN 0.392 nan 8.210 nan 0.000 0.562 17 R N 6.567 126.950 120.500 -0.194 0.000 3.463 17 R HA 0.143 4.484 4.340 0.001 0.000 0.303 17 R C 0.094 176.320 176.300 -0.124 0.000 1.370 17 R CA -0.421 55.606 56.100 -0.121 0.000 1.524 17 R CB -0.274 30.008 30.300 -0.030 0.000 1.389 17 R HN 0.568 nan 8.270 nan 0.000 0.640 18 Y N 0.995 121.091 120.300 -0.341 0.000 2.421 18 Y HA -0.175 4.375 4.550 0.000 0.000 0.292 18 Y C 1.956 177.559 175.900 -0.494 0.000 1.136 18 Y CA 0.761 58.507 58.100 -0.590 0.000 1.255 18 Y CB -0.093 37.580 38.460 -1.311 0.000 0.991 18 Y HN 0.358 nan 8.280 nan 0.000 0.552 19 D N -0.513 119.811 120.400 -0.126 0.000 2.117 19 D HA -0.179 4.461 4.640 0.001 0.000 0.198 19 D C 2.113 178.427 176.300 0.024 0.000 0.982 19 D CA 0.894 54.934 54.000 0.067 0.000 0.828 19 D CB -0.639 40.214 40.800 0.089 0.000 0.967 19 D HN 0.221 nan 8.370 nan 0.000 0.464 20 L N -0.012 121.201 121.223 -0.017 0.000 2.017 20 L HA -0.113 4.227 4.340 0.001 0.000 0.208 20 L C 2.739 179.567 176.870 -0.069 0.000 1.073 20 L CA 0.944 55.765 54.840 -0.031 0.000 0.745 20 L CB -0.735 41.300 42.059 -0.038 0.000 0.894 20 L HN 0.127 nan 8.230 nan 0.000 0.432 21 L N 0.373 121.533 121.223 -0.105 0.000 2.012 21 L HA -0.264 4.076 4.340 0.001 0.000 0.210 21 L C 2.580 179.352 176.870 -0.164 0.000 1.073 21 L CA 2.037 56.792 54.840 -0.142 0.000 0.748 21 L CB -0.479 41.520 42.059 -0.099 0.000 0.891 21 L HN 0.306 nan 8.230 nan 0.000 0.431 22 E N -0.472 119.598 120.200 -0.215 0.000 2.051 22 E HA -0.314 4.037 4.350 0.001 0.000 0.192 22 E C 2.310 178.843 176.600 -0.112 0.000 0.991 22 E CA 1.530 57.725 56.400 -0.342 0.000 0.799 22 E CB -0.243 29.360 29.700 -0.160 0.000 0.748 22 E HN 0.494 nan 8.360 nan 0.000 0.449 23 K N 0.105 120.486 120.400 -0.031 0.000 2.063 23 K HA -0.207 4.113 4.320 0.001 0.000 0.208 23 K C 1.819 178.422 176.600 0.005 0.000 1.048 23 K CA 1.770 58.060 56.287 0.005 0.000 0.928 23 K CB -0.062 32.448 32.500 0.017 0.000 0.713 23 K HN 0.108 nan 8.250 nan 0.000 0.442 24 N N 0.920 119.615 118.700 -0.008 0.000 2.171 24 N HA -0.080 4.660 4.740 0.001 0.000 0.184 24 N C 1.889 177.422 175.510 0.039 0.000 1.021 24 N CA 1.049 54.108 53.050 0.016 0.000 0.854 24 N CB -0.194 38.301 38.487 0.013 0.000 0.994 24 N HN 0.233 nan 8.380 nan 0.000 0.426 25 I N 1.200 121.786 120.570 0.026 0.000 2.208 25 I HA -0.262 3.909 4.170 0.001 0.000 0.245 25 I C 1.464 177.628 176.117 0.079 0.000 1.097 25 I CA 1.262 62.603 61.300 0.069 0.000 1.363 25 I CB -0.146 37.880 38.000 0.045 0.000 1.051 25 I HN 0.056 nan 8.210 nan 0.000 0.413 26 D N 0.638 121.073 120.400 0.058 0.000 2.183 26 D HA -0.070 4.571 4.640 0.001 0.000 0.203 26 D C 2.287 178.617 176.300 0.050 0.000 0.969 26 D CA 1.111 55.150 54.000 0.066 0.000 0.842 26 D CB 0.006 40.846 40.800 0.067 0.000 0.957 26 D HN 0.351 nan 8.370 nan 0.000 0.484 27 I N 0.528 121.122 120.570 0.041 0.000 2.226 27 I HA -0.230 3.940 4.170 0.001 0.000 0.245 27 I C 2.441 178.576 176.117 0.029 0.000 1.100 27 I CA 0.663 61.981 61.300 0.031 0.000 1.374 27 I CB -0.148 37.867 38.000 0.025 0.000 1.057 27 I HN -0.118 nan 8.210 nan 0.000 0.413 28 V N 1.728 121.668 119.914 0.043 0.000 2.307 28 V HA -0.244 3.877 4.120 0.001 0.000 0.245 28 V C 2.567 178.689 176.094 0.046 0.000 1.045 28 V CA 2.230 64.552 62.300 0.037 0.000 1.024 28 V CB -0.812 31.062 31.823 0.084 0.000 0.651 28 V HN 0.527 nan 8.190 nan 0.000 0.449 29 R N 0.156 120.697 120.500 0.069 0.000 2.189 29 R HA -0.088 4.252 4.340 0.001 0.000 0.218 29 R C 1.992 178.314 176.300 0.038 0.000 1.074 29 R CA 0.960 57.097 56.100 0.062 0.000 0.991 29 R CB -0.397 29.947 30.300 0.073 0.000 0.883 29 R HN 0.249 nan 8.270 nan 0.000 0.457 30 K N 1.131 121.550 120.400 0.032 0.000 2.211 30 K HA 0.018 4.339 4.320 0.001 0.000 0.203 30 K C 1.983 178.589 176.600 0.010 0.000 1.050 30 K CA 1.248 57.548 56.287 0.021 0.000 0.945 30 K CB -0.007 32.505 32.500 0.020 0.000 0.732 30 K HN 0.264 nan 8.250 nan 0.000 0.451 31 R N -0.306 120.197 120.500 0.005 0.000 2.093 31 R HA 0.128 4.468 4.340 0.001 0.000 0.224 31 R C 1.950 178.243 176.300 -0.011 0.000 1.101 31 R CA 0.882 56.977 56.100 -0.008 0.000 0.979 31 R CB -0.116 30.171 30.300 -0.022 0.000 0.877 31 R HN 0.103 nan 8.270 nan 0.000 0.441 32 L N 0.203 121.424 121.223 -0.004 0.000 2.307 32 L HA 0.088 4.428 4.340 0.001 0.000 0.211 32 L C -0.009 176.862 176.870 0.001 0.000 1.099 32 L CA 0.004 54.841 54.840 -0.004 0.000 0.816 32 L CB -0.295 41.770 42.059 0.010 0.000 0.952 32 L HN 0.231 nan 8.230 nan 0.000 0.455 33 N N 2.191 120.896 118.700 0.008 0.000 2.705 33 N HA -0.196 4.544 4.740 0.001 0.000 0.255 33 N C -0.276 175.236 175.510 0.002 0.000 1.008 33 N CA 0.967 54.020 53.050 0.006 0.000 0.742 33 N CB -0.739 37.748 38.487 -0.001 0.000 0.906 33 N HN 0.619 nan 8.380 nan 0.000 0.541 34 R N -2.501 118.005 120.500 0.009 0.000 2.692 34 R HA 0.659 4.999 4.340 0.001 0.000 0.269 34 R C -3.245 173.060 176.300 0.008 0.000 1.030 34 R CA -1.488 54.613 56.100 0.001 0.000 0.882 34 R CB 0.627 30.923 30.300 -0.006 0.000 1.250 34 R HN -0.245 nan 8.270 nan 0.000 0.465 35 P HA 0.137 nan 4.420 nan 0.000 0.269 35 P C -0.916 176.376 177.300 -0.015 0.000 1.209 35 P CA -0.250 62.841 63.100 -0.015 0.000 0.776 35 P CB 0.496 32.172 31.700 -0.040 0.000 0.876 36 L N 1.504 122.721 121.223 -0.010 0.000 2.334 36 L HA 0.429 4.769 4.340 0.001 0.000 0.276 36 L C 1.158 177.985 176.870 -0.072 0.000 1.014 36 L CA -0.797 54.036 54.840 -0.011 0.000 0.815 36 L CB 1.695 43.776 42.059 0.037 0.000 1.268 36 L HN 0.429 nan 8.230 nan 0.000 0.428 37 T N -1.101 113.383 114.554 -0.117 0.000 2.726 37 T HA 0.076 4.426 4.350 0.001 0.000 0.294 37 T C 0.973 175.640 174.700 -0.054 0.000 1.013 37 T CA -0.516 61.507 62.100 -0.128 0.000 0.996 37 T CB 0.833 69.629 68.868 -0.119 0.000 1.016 37 T HN 0.480 nan 8.240 nan 0.000 0.529 38 L N 1.199 122.424 121.223 0.004 0.000 2.083 38 L HA -0.027 4.314 4.340 0.001 0.000 0.209 38 L C 2.710 179.579 176.870 -0.003 0.000 1.083 38 L CA 2.500 57.358 54.840 0.029 0.000 0.752 38 L CB -1.348 40.756 42.059 0.076 0.000 0.899 38 L HN 0.944 nan 8.230 nan 0.000 0.433 39 S N -1.566 114.122 115.700 -0.019 0.000 2.402 39 S HA -0.151 4.320 4.470 0.001 0.000 0.229 39 S C 1.764 176.254 174.600 -0.184 0.000 1.021 39 S CA 0.985 59.154 58.200 -0.052 0.000 0.974 39 S CB -0.666 62.518 63.200 -0.027 0.000 0.800 39 S HN 0.630 nan 8.310 nan 0.000 0.484 40 E N 1.609 121.633 120.200 -0.292 0.000 2.072 40 E HA -0.092 4.258 4.350 0.001 0.000 0.191 40 E C 2.155 178.438 176.600 -0.529 0.000 0.985 40 E CA 1.003 56.969 56.400 -0.722 0.000 0.801 40 E CB -0.135 29.242 29.700 -0.539 0.000 0.750 40 E HN 0.578 nan 8.360 nan 0.000 0.452 41 K N 0.539 120.832 120.400 -0.177 0.000 2.032 41 K HA -0.135 4.185 4.320 0.001 0.000 0.209 41 K C 2.156 178.764 176.600 0.014 0.000 1.048 41 K CA 1.197 57.468 56.287 -0.026 0.000 0.927 41 K CB -0.107 32.423 32.500 0.050 0.000 0.712 41 K HN 0.117 nan 8.250 nan 0.000 0.441 42 I N 0.345 120.931 120.570 0.026 0.000 2.286 42 I HA -0.221 3.949 4.170 0.001 0.000 0.245 42 I C 2.189 178.430 176.117 0.207 0.000 1.104 42 I CA 0.751 62.136 61.300 0.140 0.000 1.397 42 I CB -0.124 37.944 38.000 0.113 0.000 1.072 42 I HN -0.072 nan 8.210 nan 0.000 0.417 43 V N 0.259 120.201 119.914 0.046 0.000 2.270 43 V HA -0.273 3.847 4.120 0.001 0.000 0.245 43 V C 2.304 178.543 176.094 0.242 0.000 1.043 43 V CA 1.799 64.160 62.300 0.102 0.000 1.014 43 V CB -0.747 31.067 31.823 -0.014 0.000 0.645 43 V HN 0.292 nan 8.190 nan 0.000 0.447 44 Y N 1.343 121.712 120.300 0.115 0.000 2.439 44 Y HA 0.059 4.609 4.550 0.001 0.000 0.292 44 Y C 2.517 178.467 175.900 0.083 0.000 1.130 44 Y CA 0.472 58.624 58.100 0.087 0.000 1.254 44 Y CB -1.518 36.975 38.460 0.056 0.000 1.000 44 Y HN 0.273 nan 8.280 nan 0.000 0.554 45 G N -1.542 107.382 108.800 0.206 0.000 2.559 45 G HA2 -0.204 3.756 3.960 0.001 0.000 0.216 45 G HA3 -0.204 3.756 3.960 0.001 0.000 0.216 45 G C 0.694 175.589 174.900 -0.008 0.000 1.126 45 G CA 0.555 45.698 45.100 0.072 0.000 0.778 45 G HN 0.465 nan 8.290 nan 0.000 0.543 46 H N -0.836 118.310 119.070 0.126 0.000 2.505 46 H HA 0.391 4.947 4.556 0.000 0.000 0.286 46 H C 0.517 175.926 175.328 0.133 0.000 1.072 46 H CA -0.585 55.538 56.048 0.124 0.000 1.141 46 H CB 0.276 30.117 29.762 0.132 0.000 1.550 46 H HN 0.130 nan 8.280 nan 0.000 0.547 47 L N 0.578 121.923 121.223 0.203 0.000 2.426 47 L HA -0.005 4.336 4.340 0.001 0.000 0.271 47 L C 1.513 178.452 176.870 0.116 0.000 1.169 47 L CA 0.110 55.043 54.840 0.154 0.000 0.836 47 L CB 0.817 42.942 42.059 0.111 0.000 1.112 47 L HN 0.257 nan 8.230 nan 0.000 0.465 48 D N 0.721 121.185 120.400 0.108 0.000 2.144 48 D HA -0.170 4.470 4.640 0.001 0.000 0.200 48 D C 0.379 176.715 176.300 0.060 0.000 0.978 48 D CA 1.242 55.294 54.000 0.087 0.000 0.833 48 D CB 0.313 41.166 40.800 0.087 0.000 0.961 48 D HN 0.483 nan 8.370 nan 0.000 0.470 49 D N -1.282 119.147 120.400 0.048 0.000 2.468 49 D HA 0.156 4.797 4.640 0.001 0.000 0.272 49 D C -1.998 174.313 176.300 0.019 0.000 1.221 49 D CA -1.717 52.301 54.000 0.030 0.000 0.860 49 D CB 1.299 42.113 40.800 0.022 0.000 1.190 49 D HN 0.017 nan 8.370 nan 0.000 0.509 50 P HA -0.085 nan 4.420 nan 0.000 0.222 50 P C 1.104 178.401 177.300 -0.005 0.000 1.147 50 P CA 0.541 63.648 63.100 0.011 0.000 0.790 50 P CB 0.413 32.132 31.700 0.031 0.000 0.780 51 A N 0.106 122.927 122.820 0.001 0.000 1.970 51 A HA -0.070 4.250 4.320 0.001 0.000 0.216 51 A C 2.070 179.646 177.584 -0.013 0.000 1.170 51 A CA 1.165 53.200 52.037 -0.004 0.000 0.645 51 A CB -0.647 18.355 19.000 0.003 0.000 0.816 51 A HN 0.159 nan 8.150 nan 0.000 0.447 52 N N -1.195 117.498 118.700 -0.013 0.000 2.273 52 N HA 0.033 4.773 4.740 0.001 0.000 0.192 52 N C 0.445 175.938 175.510 -0.028 0.000 1.132 52 N CA 0.024 53.064 53.050 -0.017 0.000 0.887 52 N CB 0.065 38.547 38.487 -0.009 0.000 1.048 52 N HN 0.515 nan 8.380 nan 0.000 0.490 53 Q N 2.593 122.372 119.800 -0.034 0.000 2.269 53 Q HA -0.063 4.277 4.340 0.001 0.000 0.300 53 Q C -0.943 175.011 176.000 -0.077 0.000 1.070 53 Q CA 0.443 56.216 55.803 -0.050 0.000 0.957 53 Q CB 0.336 29.041 28.738 -0.056 0.000 1.131 53 Q HN 0.063 nan 8.270 nan 0.000 0.377 54 E N 4.345 124.504 120.200 -0.069 0.000 2.324 54 E HA 0.324 4.674 4.350 0.001 0.000 0.271 54 E C -0.601 175.931 176.600 -0.114 0.000 1.028 54 E CA 0.301 56.654 56.400 -0.077 0.000 0.890 54 E CB 0.503 30.170 29.700 -0.056 0.000 1.004 54 E HN 0.523 nan 8.360 nan 0.000 0.431 55 I N 2.910 123.394 120.570 -0.144 0.000 2.466 55 I HA 0.240 4.411 4.170 0.001 0.000 0.279 55 I C -0.415 175.624 176.117 -0.130 0.000 1.033 55 I CA -0.372 60.805 61.300 -0.206 0.000 1.123 55 I CB 0.955 38.724 38.000 -0.386 0.000 1.237 55 I HN 0.375 nan 8.210 nan 0.000 0.460 56 E N 6.254 126.400 120.200 -0.090 0.000 2.260 56 E HA 0.366 4.716 4.350 0.001 0.000 0.266 56 E C -0.866 175.715 176.600 -0.033 0.000 0.887 56 E CA -0.920 55.449 56.400 -0.053 0.000 0.777 56 E CB 2.493 32.160 29.700 -0.054 0.000 1.205 56 E HN 0.458 nan 8.360 nan 0.000 0.414 57 R N 0.428 120.934 120.500 0.010 0.000 2.538 57 R HA 0.081 4.422 4.340 0.001 0.000 0.282 57 R C 1.103 177.395 176.300 -0.014 0.000 1.009 57 R CA 1.301 57.416 56.100 0.026 0.000 1.063 57 R CB 0.136 30.471 30.300 0.057 0.000 0.945 57 R HN 0.944 nan 8.270 nan 0.000 0.414 58 G N 2.133 110.910 108.800 -0.037 0.000 2.184 58 G HA2 -0.354 3.606 3.960 0.001 0.000 0.264 58 G HA3 -0.354 3.606 3.960 0.001 0.000 0.264 58 G C 0.713 175.546 174.900 -0.111 0.000 0.975 58 G CA 0.900 45.962 45.100 -0.063 0.000 0.642 58 G HN 0.639 nan 8.290 nan 0.000 0.536 59 K N -0.828 119.494 120.400 -0.130 0.000 2.485 59 K HA 0.181 4.502 4.320 0.001 0.000 0.200 59 K C 1.308 177.774 176.600 -0.223 0.000 1.344 59 K CA 0.870 57.064 56.287 -0.155 0.000 0.948 59 K CB 0.506 32.949 32.500 -0.095 0.000 1.454 59 K HN 0.461 nan 8.250 nan 0.000 0.502 60 T N -1.119 113.320 114.554 -0.191 0.000 2.918 60 T HA 0.339 4.689 4.350 0.001 0.000 0.283 60 T C -0.387 174.154 174.700 -0.264 0.000 1.001 60 T CA -0.530 61.464 62.100 -0.177 0.000 1.041 60 T CB 0.690 69.499 68.868 -0.099 0.000 1.028 60 T HN -0.073 nan 8.240 nan 0.000 0.511 61 Y N 0.909 121.154 120.300 -0.093 0.000 2.341 61 Y HA 0.455 5.006 4.550 0.001 0.000 0.340 61 Y C 0.336 176.172 175.900 -0.108 0.000 0.997 61 Y CA -1.018 57.011 58.100 -0.118 0.000 1.149 61 Y CB 0.740 39.112 38.460 -0.146 0.000 1.171 61 Y HN 0.469 nan 8.280 nan 0.000 0.494 62 L N 4.846 126.082 121.223 0.021 0.000 2.350 62 L HA 0.484 4.825 4.340 0.001 0.000 0.275 62 L C 0.047 176.913 176.870 -0.008 0.000 1.099 62 L CA -0.571 54.271 54.840 0.005 0.000 0.808 62 L CB 0.762 42.835 42.059 0.025 0.000 1.149 62 L HN 0.487 nan 8.230 nan 0.000 0.442 63 R N 3.680 124.194 120.500 0.023 0.000 2.215 63 R HA 0.614 4.954 4.340 0.001 0.000 0.336 63 R C -1.043 175.317 176.300 0.100 0.000 0.996 63 R CA -0.314 55.813 56.100 0.044 0.000 0.847 63 R CB 0.936 31.263 30.300 0.046 0.000 1.127 63 R HN 0.480 nan 8.270 nan 0.000 0.465 64 L N 2.538 123.855 121.223 0.156 0.000 2.333 64 L HA 0.597 4.937 4.340 0.001 0.000 0.269 64 L C 0.141 177.183 176.870 0.288 0.000 1.010 64 L CA -1.159 53.830 54.840 0.249 0.000 0.818 64 L CB 1.628 43.887 42.059 0.334 0.000 1.306 64 L HN 0.322 nan 8.230 nan 0.000 0.430 65 R N 1.803 122.465 120.500 0.271 0.000 2.335 65 R HA 0.373 4.713 4.340 0.001 0.000 0.302 65 R C -2.569 173.865 176.300 0.223 0.000 1.147 65 R CA -2.017 54.222 56.100 0.232 0.000 1.111 65 R CB 0.781 31.198 30.300 0.195 0.000 1.122 65 R HN 0.233 nan 8.270 nan 0.000 0.557 66 P HA 0.065 nan 4.420 nan 0.000 0.269 66 P C 0.270 177.592 177.300 0.037 0.000 1.215 66 P CA -0.151 62.947 63.100 -0.004 0.000 0.780 66 P CB 1.002 32.611 31.700 -0.151 0.000 0.898 67 D N 1.220 121.630 120.400 0.017 0.000 2.162 67 D HA -0.018 4.622 4.640 0.001 0.000 0.203 67 D C 0.833 177.144 176.300 0.018 0.000 0.967 67 D CA 1.279 55.319 54.000 0.068 0.000 0.840 67 D CB 0.325 41.191 40.800 0.110 0.000 0.972 67 D HN 0.515 nan 8.370 nan 0.000 0.482 68 R N -1.346 119.126 120.500 -0.046 0.000 2.712 68 R HA 0.591 4.932 4.340 0.001 0.000 0.272 68 R C -1.769 174.458 176.300 -0.122 0.000 1.032 68 R CA -0.832 55.228 56.100 -0.066 0.000 0.874 68 R CB 1.318 31.587 30.300 -0.051 0.000 1.256 68 R HN -0.251 nan 8.270 nan 0.000 0.468 69 V N 0.651 120.491 119.914 -0.123 0.000 2.540 69 V HA 0.800 4.921 4.120 0.001 0.000 0.302 69 V C -0.566 175.459 176.094 -0.116 0.000 1.035 69 V CA -0.504 61.713 62.300 -0.137 0.000 0.873 69 V CB 1.542 33.283 31.823 -0.136 0.000 0.992 69 V HN 0.953 nan 8.190 nan 0.000 0.428 70 A N 6.285 129.048 122.820 -0.094 0.000 2.365 70 A HA 0.988 5.308 4.320 0.001 0.000 0.318 70 A C -0.755 176.826 177.584 -0.005 0.000 1.091 70 A CA -0.629 51.387 52.037 -0.036 0.000 0.763 70 A CB 1.509 20.466 19.000 -0.070 0.000 1.248 70 A HN 0.792 nan 8.150 nan 0.000 0.442 71 M N 1.400 121.040 119.600 0.066 0.000 2.518 71 M HA 0.437 4.918 4.480 0.001 0.000 0.300 71 M C -0.791 175.569 176.300 0.100 0.000 1.175 71 M CA -0.792 54.537 55.300 0.049 0.000 0.890 71 M CB 2.547 35.164 32.600 0.029 0.000 1.710 71 M HN 0.869 nan 8.290 nan 0.000 0.453 72 Q N -0.180 119.638 119.800 0.030 0.000 2.297 72 Q HA 0.375 4.715 4.340 0.001 0.000 0.269 72 Q C -0.071 175.940 176.000 0.017 0.000 1.051 72 Q CA -0.824 55.000 55.803 0.034 0.000 0.869 72 Q CB 0.680 29.391 28.738 -0.045 0.000 1.346 72 Q HN 0.658 nan 8.270 nan 0.000 0.457 73 D N 0.457 120.903 120.400 0.078 0.000 2.310 73 D HA -0.104 4.537 4.640 0.001 0.000 0.212 73 D C 1.008 177.354 176.300 0.076 0.000 0.965 73 D CA 1.177 55.256 54.000 0.131 0.000 0.879 73 D CB -0.308 40.635 40.800 0.240 0.000 0.921 73 D HN 0.563 nan 8.370 nan 0.000 0.510 74 A N 0.308 123.098 122.820 -0.051 0.000 2.072 74 A HA 0.039 4.360 4.320 0.001 0.000 0.216 74 A C 2.107 179.665 177.584 -0.044 0.000 1.156 74 A CA 1.523 53.519 52.037 -0.069 0.000 0.701 74 A CB -0.428 18.477 19.000 -0.159 0.000 0.816 74 A HN 0.406 nan 8.150 nan 0.000 0.458 75 T N -4.588 109.949 114.554 -0.027 0.000 2.985 75 T HA 0.463 4.813 4.350 0.001 0.000 0.254 75 T C 1.715 176.478 174.700 0.104 0.000 1.021 75 T CA 0.775 62.921 62.100 0.077 0.000 0.957 75 T CB 0.173 69.065 68.868 0.041 0.000 1.047 75 T HN 0.352 nan 8.240 nan 0.000 0.511 76 A N 1.912 124.786 122.820 0.091 0.000 2.014 76 A HA -0.016 4.305 4.320 0.001 0.000 0.218 76 A C 2.366 180.057 177.584 0.178 0.000 1.163 76 A CA 1.075 53.180 52.037 0.113 0.000 0.652 76 A CB -0.599 18.474 19.000 0.122 0.000 0.808 76 A HN 0.580 nan 8.150 nan 0.000 0.449 77 Q N -1.654 118.275 119.800 0.215 0.000 2.050 77 Q HA -0.173 4.167 4.340 0.001 0.000 0.202 77 Q C 2.068 178.199 176.000 0.220 0.000 0.980 77 Q CA 1.758 57.732 55.803 0.285 0.000 0.840 77 Q CB -0.270 28.572 28.738 0.173 0.000 0.898 77 Q HN 0.614 nan 8.270 nan 0.000 0.424 78 M N 0.245 119.948 119.600 0.171 0.000 2.349 78 M HA 0.045 4.526 4.480 0.001 0.000 0.266 78 M C 1.824 178.164 176.300 0.066 0.000 1.076 78 M CA 1.197 56.554 55.300 0.095 0.000 1.126 78 M CB -0.173 32.467 32.600 0.065 0.000 1.392 78 M HN 0.168 nan 8.290 nan 0.000 0.440 79 A N -0.164 122.707 122.820 0.084 0.000 1.898 79 A HA -0.106 4.214 4.320 0.001 0.000 0.216 79 A C 2.014 179.644 177.584 0.075 0.000 1.181 79 A CA 1.631 53.701 52.037 0.054 0.000 0.620 79 A CB -0.510 18.510 19.000 0.034 0.000 0.819 79 A HN 0.482 nan 8.150 nan 0.000 0.442 80 M N -0.466 119.201 119.600 0.111 0.000 2.254 80 M HA 0.064 4.544 4.480 0.001 0.000 0.265 80 M C 2.054 178.459 176.300 0.174 0.000 1.066 80 M CA 1.004 56.373 55.300 0.115 0.000 1.123 80 M CB -1.371 31.295 32.600 0.110 0.000 1.388 80 M HN 0.366 nan 8.290 nan 0.000 0.425 81 L N -0.375 120.969 121.223 0.203 0.000 2.083 81 L HA -0.234 4.106 4.340 0.001 0.000 0.209 81 L C 2.503 179.392 176.870 0.031 0.000 1.083 81 L CA 1.179 56.096 54.840 0.128 0.000 0.752 81 L CB -0.557 41.528 42.059 0.043 0.000 0.899 81 L HN 0.379 nan 8.230 nan 0.000 0.433 82 Q N -1.089 118.719 119.800 0.013 0.000 2.119 82 Q HA -0.205 4.135 4.340 0.001 0.000 0.201 82 Q C 2.133 178.113 176.000 -0.034 0.000 0.972 82 Q CA 1.478 57.262 55.803 -0.032 0.000 0.847 82 Q CB -0.149 28.569 28.738 -0.032 0.000 0.903 82 Q HN 0.386 nan 8.270 nan 0.000 0.433 83 F N 1.111 120.980 119.950 -0.136 0.000 2.134 83 F HA -0.169 4.359 4.527 0.001 0.000 0.299 83 F C 1.860 177.503 175.800 -0.262 0.000 1.097 83 F CA 1.093 58.965 58.000 -0.214 0.000 1.264 83 F CB -0.012 38.807 39.000 -0.301 0.000 1.001 83 F HN -0.034 nan 8.300 nan 0.000 0.479 84 I N -0.680 119.822 120.570 -0.114 0.000 2.208 84 I HA -0.347 3.823 4.170 0.001 0.000 0.245 84 I C 2.367 178.410 176.117 -0.124 0.000 1.097 84 I CA 1.529 62.768 61.300 -0.102 0.000 1.363 84 I CB -0.637 37.405 38.000 0.070 0.000 1.051 84 I HN 0.039 nan 8.210 nan 0.000 0.413 85 S N 0.497 116.127 115.700 -0.117 0.000 2.400 85 S HA -0.198 4.273 4.470 0.001 0.000 0.232 85 S C 2.150 176.647 174.600 -0.172 0.000 1.025 85 S CA 1.606 59.731 58.200 -0.125 0.000 0.993 85 S CB -0.449 62.677 63.200 -0.123 0.000 0.808 85 S HN 0.658 nan 8.310 nan 0.000 0.478 86 S N 1.082 116.622 115.700 -0.267 0.000 2.400 86 S HA 0.044 4.514 4.470 0.001 0.000 0.232 86 S C 1.851 176.288 174.600 -0.271 0.000 1.025 86 S CA 1.411 59.432 58.200 -0.299 0.000 0.993 86 S CB -0.845 62.072 63.200 -0.471 0.000 0.808 86 S HN 0.949 nan 8.310 nan 0.000 0.478 87 G N 0.607 109.239 108.800 -0.280 0.000 2.176 87 G HA2 -0.232 3.728 3.960 0.001 0.000 0.253 87 G HA3 -0.232 3.728 3.960 0.001 0.000 0.253 87 G C 0.023 174.823 174.900 -0.167 0.000 0.979 87 G CA 0.284 45.287 45.100 -0.163 0.000 0.641 87 G HN 0.585 nan 8.290 nan 0.000 0.530 88 L N 1.586 122.604 121.223 -0.342 0.000 2.456 88 L HA 0.243 4.584 4.340 0.001 0.000 0.272 88 L C 0.068 176.940 176.870 0.004 0.000 1.189 88 L CA -1.035 53.671 54.840 -0.224 0.000 0.846 88 L CB 0.800 42.651 42.059 -0.347 0.000 1.111 88 L HN 0.040 nan 8.230 nan 0.000 0.475 89 P HA -0.030 nan 4.420 nan 0.000 0.230 89 P C -0.212 177.330 177.300 0.403 0.000 1.168 89 P CA 0.806 64.062 63.100 0.259 0.000 0.793 89 P CB 0.501 32.273 31.700 0.121 0.000 0.851 90 K N 0.398 121.048 120.400 0.416 0.000 2.568 90 K HA 0.348 4.668 4.320 0.001 0.000 0.273 90 K C -1.137 175.637 176.600 0.290 0.000 0.951 90 K CA -0.970 55.505 56.287 0.312 0.000 0.854 90 K CB 1.557 34.147 32.500 0.150 0.000 1.424 90 K HN -0.192 nan 8.250 nan 0.000 0.427 91 V N 1.322 121.273 119.914 0.061 0.000 2.811 91 V HA 0.611 4.731 4.120 0.001 0.000 0.302 91 V C 0.887 177.000 176.094 0.032 0.000 1.063 91 V CA 0.557 62.817 62.300 -0.066 0.000 1.088 91 V CB 0.844 32.518 31.823 -0.248 0.000 0.982 91 V HN 0.884 nan 8.190 nan 0.000 0.485 92 A N 3.625 126.476 122.820 0.052 0.000 2.132 92 A HA 0.509 4.829 4.320 0.001 0.000 0.213 92 A C 0.900 178.510 177.584 0.042 0.000 1.154 92 A CA 0.932 53.006 52.037 0.062 0.000 0.753 92 A CB -0.317 18.731 19.000 0.080 0.000 0.826 92 A HN 1.744 nan 8.150 nan 0.000 0.469 93 V N -4.902 115.022 119.914 0.016 0.000 3.074 93 V HA 0.611 4.731 4.120 0.001 0.000 0.314 93 V C -3.259 172.836 176.094 0.003 0.000 1.117 93 V CA -3.148 59.162 62.300 0.017 0.000 1.014 93 V CB 1.194 33.020 31.823 0.005 0.000 1.057 93 V HN -0.007 nan 8.190 nan 0.000 0.438 94 P HA 0.221 nan 4.420 nan 0.000 0.258 94 P C -0.476 176.800 177.300 -0.039 0.000 1.172 94 P CA 0.860 63.971 63.100 0.019 0.000 0.762 94 P CB 0.226 31.952 31.700 0.044 0.000 0.764 95 S N 1.416 117.085 115.700 -0.051 0.000 2.541 95 S HA 0.730 5.200 4.470 0.001 0.000 0.280 95 S C -0.432 174.131 174.600 -0.061 0.000 1.112 95 S CA -0.649 57.501 58.200 -0.084 0.000 0.925 95 S CB 1.877 65.010 63.200 -0.113 0.000 1.067 95 S HN 0.523 nan 8.310 nan 0.000 0.479 96 T N -0.482 114.038 114.554 -0.057 0.000 2.906 96 T HA 0.790 5.140 4.350 0.001 0.000 0.295 96 T C -0.732 173.953 174.700 -0.025 0.000 1.061 96 T CA -0.679 61.412 62.100 -0.015 0.000 1.000 96 T CB 0.831 69.701 68.868 0.004 0.000 1.103 96 T HN 0.442 nan 8.240 nan 0.000 0.486 97 I N 1.919 122.449 120.570 -0.067 0.000 2.441 97 I HA 0.399 4.569 4.170 0.001 0.000 0.295 97 I C -0.234 175.683 176.117 -0.333 0.000 0.994 97 I CA -0.948 60.320 61.300 -0.053 0.000 1.144 97 I CB 1.464 39.532 38.000 0.112 0.000 1.314 97 I HN 0.609 nan 8.210 nan 0.000 0.445 98 H N 4.693 123.744 119.070 -0.031 0.000 2.547 98 H HA 0.290 4.847 4.556 0.001 0.000 0.342 98 H C -1.127 174.157 175.328 -0.073 0.000 1.048 98 H CA -0.574 55.425 56.048 -0.082 0.000 1.204 98 H CB 1.974 31.652 29.762 -0.140 0.000 1.493 98 H HN 0.526 nan 8.280 nan 0.000 0.511 99 C N 3.868 123.125 119.300 -0.072 0.000 2.116 99 C HA 0.092 4.552 4.460 0.001 0.000 0.367 99 C C 1.048 176.059 174.990 0.034 0.000 1.039 99 C CA -0.610 58.399 59.018 -0.015 0.000 1.465 99 C CB -1.394 26.211 27.740 -0.225 0.000 1.783 99 C HN 0.806 nan 8.230 nan 0.000 0.470 100 D N -0.954 119.516 120.400 0.118 0.000 2.502 100 D HA 0.017 4.657 4.640 0.001 0.000 0.232 100 D C 0.881 177.213 176.300 0.053 0.000 1.137 100 D CA 0.253 54.288 54.000 0.059 0.000 0.827 100 D CB -0.308 40.494 40.800 0.002 0.000 1.141 100 D HN 0.490 nan 8.370 nan 0.000 0.517 101 H N -0.077 119.017 119.070 0.041 0.000 2.575 101 H HA 0.432 4.988 4.556 0.001 0.000 0.267 101 H C 1.095 176.450 175.328 0.046 0.000 0.966 101 H CA 0.389 56.455 56.048 0.030 0.000 1.165 101 H CB 0.687 30.468 29.762 0.031 0.000 1.433 101 H HN 0.036 nan 8.280 nan 0.000 0.544 102 L N 0.455 121.786 121.223 0.181 0.000 2.910 102 L HA 0.310 4.650 4.340 0.001 0.000 0.252 102 L C -0.457 176.479 176.870 0.110 0.000 1.195 102 L CA 0.047 54.961 54.840 0.123 0.000 1.003 102 L CB 0.570 42.691 42.059 0.103 0.000 1.328 102 L HN 0.089 nan 8.230 nan 0.000 0.540 103 I N 0.671 121.299 120.570 0.097 0.000 2.306 103 I HA 0.125 4.295 4.170 0.001 0.000 0.288 103 I C 0.510 176.651 176.117 0.040 0.000 1.036 103 I CA -0.128 61.219 61.300 0.078 0.000 1.221 103 I CB 1.353 39.392 38.000 0.065 0.000 1.385 103 I HN 0.116 nan 8.210 nan 0.000 0.472 104 E N 5.718 125.946 120.200 0.047 0.000 2.316 104 E HA 0.444 4.794 4.350 0.001 0.000 0.275 104 E C -0.387 176.251 176.600 0.064 0.000 1.029 104 E CA -0.648 55.787 56.400 0.058 0.000 0.871 104 E CB 1.092 30.826 29.700 0.057 0.000 1.022 104 E HN 0.697 nan 8.360 nan 0.000 0.418 105 A N 4.363 127.232 122.820 0.081 0.000 2.362 105 A HA 0.132 4.452 4.320 0.001 0.000 0.276 105 A C 0.303 177.987 177.584 0.166 0.000 1.153 105 A CA -0.023 52.060 52.037 0.077 0.000 0.813 105 A CB 1.031 20.021 19.000 -0.017 0.000 1.081 105 A HN 0.927 nan 8.150 nan 0.000 0.507 106 Q N 1.506 121.376 119.800 0.117 0.000 2.024 106 Q HA 0.126 4.467 4.340 0.001 0.000 0.155 106 Q C 0.073 176.126 176.000 0.088 0.000 0.584 106 Q CA -0.193 55.682 55.803 0.120 0.000 0.855 106 Q CB 0.022 28.811 28.738 0.085 0.000 1.073 106 Q HN 0.560 nan 8.270 nan 0.000 0.313 107 L N 0.961 122.220 121.223 0.060 0.000 2.529 107 L HA 0.412 4.752 4.340 0.001 0.000 0.223 107 L C 0.765 177.657 176.870 0.035 0.000 1.113 107 L CA 1.709 56.576 54.840 0.046 0.000 0.861 107 L CB 0.282 42.363 42.059 0.037 0.000 1.012 107 L HN 0.526 nan 8.230 nan 0.000 0.461 108 G N -2.154 106.663 108.800 0.029 0.000 2.662 108 G HA2 0.177 4.137 3.960 0.001 0.000 0.686 108 G HA3 0.177 4.137 3.960 0.001 0.000 0.686 108 G C 0.710 175.616 174.900 0.009 0.000 1.271 108 G CA -0.317 44.789 45.100 0.010 0.000 0.816 108 G HN 0.519 nan 8.290 nan 0.000 0.608 109 G N 0.794 109.593 108.800 -0.002 0.000 3.652 109 G HA2 -0.302 3.658 3.960 0.001 0.000 0.270 109 G HA3 -0.302 3.658 3.960 0.001 0.000 0.270 109 G C 1.540 176.446 174.900 0.009 0.000 0.886 109 G CA 2.751 47.851 45.100 0.000 0.000 0.746 109 G HN 2.211 nan 8.290 nan 0.000 1.316 110 E N 0.120 120.328 120.200 0.013 0.000 2.110 110 E HA -0.028 4.323 4.350 0.001 0.000 0.193 110 E C 2.351 178.964 176.600 0.022 0.000 0.988 110 E CA 1.532 57.942 56.400 0.017 0.000 0.804 110 E CB -0.250 29.460 29.700 0.017 0.000 0.745 110 E HN 0.619 nan 8.360 nan 0.000 0.458 111 K N 0.581 120.995 120.400 0.022 0.000 2.026 111 K HA -0.133 4.187 4.320 0.001 0.000 0.208 111 K C 1.795 178.413 176.600 0.030 0.000 1.048 111 K CA 1.612 57.914 56.287 0.025 0.000 0.929 111 K CB -0.098 32.417 32.500 0.025 0.000 0.713 111 K HN 0.131 nan 8.250 nan 0.000 0.439 112 D N 0.843 121.261 120.400 0.030 0.000 2.144 112 D HA -0.136 4.504 4.640 0.001 0.000 0.200 112 D C 1.822 178.148 176.300 0.043 0.000 0.978 112 D CA 0.717 54.738 54.000 0.036 0.000 0.833 112 D CB -0.126 40.692 40.800 0.030 0.000 0.961 112 D HN 0.009 nan 8.370 nan 0.000 0.470 113 L N 1.152 122.397 121.223 0.037 0.000 2.056 113 L HA -0.099 4.241 4.340 0.001 0.000 0.207 113 L C 2.185 179.090 176.870 0.058 0.000 1.078 113 L CA 1.559 56.425 54.840 0.044 0.000 0.749 113 L CB -0.190 41.884 42.059 0.025 0.000 0.901 113 L HN -0.141 nan 8.230 nan 0.000 0.433 114 R N -0.806 119.722 120.500 0.047 0.000 2.073 114 R HA -0.191 4.150 4.340 0.001 0.000 0.234 114 R C 2.445 178.781 176.300 0.060 0.000 1.134 114 R CA 1.709 57.839 56.100 0.050 0.000 0.952 114 R CB -0.524 29.798 30.300 0.037 0.000 0.850 114 R HN 0.378 nan 8.270 nan 0.000 0.433 115 R N 0.767 121.298 120.500 0.052 0.000 2.081 115 R HA -0.115 4.225 4.340 0.001 0.000 0.235 115 R C 2.192 178.530 176.300 0.064 0.000 1.131 115 R CA 1.548 57.677 56.100 0.049 0.000 0.960 115 R CB -0.230 30.093 30.300 0.039 0.000 0.856 115 R HN 0.229 nan 8.270 nan 0.000 0.436 116 A N 1.156 124.030 122.820 0.090 0.000 1.933 116 A HA -0.154 4.166 4.320 0.001 0.000 0.218 116 A C 1.942 179.658 177.584 0.221 0.000 1.175 116 A CA 1.518 53.635 52.037 0.133 0.000 0.628 116 A CB -0.286 18.822 19.000 0.180 0.000 0.814 116 A HN 0.345 nan 8.150 nan 0.000 0.444 117 K N -0.693 119.852 120.400 0.241 0.000 2.211 117 K HA -0.153 4.168 4.320 0.001 0.000 0.203 117 K C 1.657 178.365 176.600 0.179 0.000 1.050 117 K CA 1.408 57.876 56.287 0.301 0.000 0.945 117 K CB -0.118 32.490 32.500 0.180 0.000 0.732 117 K HN 0.621 nan 8.250 nan 0.000 0.451 118 D N 0.965 121.426 120.400 0.101 0.000 2.106 118 D HA -0.052 4.589 4.640 0.001 0.000 0.203 118 D C 1.746 178.060 176.300 0.023 0.000 0.977 118 D CA 0.817 54.852 54.000 0.057 0.000 0.844 118 D CB 0.064 40.889 40.800 0.041 0.000 1.002 118 D HN 0.013 nan 8.370 nan 0.000 0.461 119 I N 0.417 120.991 120.570 0.006 0.000 2.248 119 I HA -0.216 3.954 4.170 0.001 0.000 0.248 119 I C 1.118 177.178 176.117 -0.094 0.000 1.107 119 I CA 0.986 62.264 61.300 -0.037 0.000 1.373 119 I CB -0.223 37.756 38.000 -0.035 0.000 1.055 119 I HN 0.124 nan 8.210 nan 0.000 0.418 120 N N 0.146 118.754 118.700 -0.153 0.000 2.238 120 N HA -0.003 4.737 4.740 0.001 0.000 0.222 120 N C 1.408 176.696 175.510 -0.370 0.000 1.133 120 N CA -0.024 52.798 53.050 -0.381 0.000 0.854 120 N CB 0.344 38.354 38.487 -0.795 0.000 1.041 120 N HN 0.354 nan 8.380 nan 0.000 0.510 121 Q N 1.422 121.164 119.800 -0.096 0.000 2.118 121 Q HA -0.243 4.097 4.340 0.001 0.000 0.211 121 Q C 1.592 177.607 176.000 0.026 0.000 0.998 121 Q CA 1.675 57.497 55.803 0.032 0.000 0.872 121 Q CB 0.054 28.817 28.738 0.041 0.000 0.925 121 Q HN 0.536 nan 8.270 nan 0.000 0.414 122 E N -0.836 119.355 120.200 -0.014 0.000 2.077 122 E HA -0.147 4.203 4.350 0.001 0.000 0.193 122 E C 2.032 178.663 176.600 0.051 0.000 0.989 122 E CA 1.322 57.733 56.400 0.018 0.000 0.800 122 E CB 0.161 29.858 29.700 -0.005 0.000 0.746 122 E HN 0.183 nan 8.360 nan 0.000 0.452 123 V N 0.368 120.266 119.914 -0.028 0.000 2.323 123 V HA -0.211 3.910 4.120 0.001 0.000 0.244 123 V C 2.003 178.216 176.094 0.198 0.000 1.041 123 V CA 1.511 63.834 62.300 0.037 0.000 1.025 123 V CB -0.608 31.151 31.823 -0.107 0.000 0.656 123 V HN 0.346 nan 8.190 nan 0.000 0.451 124 Y N 0.709 121.106 120.300 0.161 0.000 2.274 124 Y HA -0.188 4.362 4.550 0.001 0.000 0.290 124 Y C 2.365 178.318 175.900 0.088 0.000 1.145 124 Y CA 1.290 59.508 58.100 0.196 0.000 1.203 124 Y CB -1.244 37.331 38.460 0.191 0.000 0.984 124 Y HN 0.343 nan 8.280 nan 0.000 0.533 125 N N -0.514 118.313 118.700 0.212 0.000 2.084 125 N HA -0.212 4.528 4.740 0.001 0.000 0.190 125 N C 1.718 177.256 175.510 0.047 0.000 1.030 125 N CA 1.349 54.447 53.050 0.080 0.000 0.849 125 N CB -0.512 38.026 38.487 0.085 0.000 1.012 125 N HN 0.225 nan 8.380 nan 0.000 0.423 126 F N 1.034 120.988 119.950 0.007 0.000 2.095 126 F HA -0.080 4.447 4.527 0.000 0.000 0.298 126 F C 1.717 177.515 175.800 -0.003 0.000 1.104 126 F CA 1.306 59.311 58.000 0.008 0.000 1.232 126 F CB -0.347 38.673 39.000 0.034 0.000 0.987 126 F HN 0.020 nan 8.300 nan 0.000 0.475 127 L N -0.137 121.096 121.223 0.016 0.000 2.093 127 L HA -0.137 4.204 4.340 0.001 0.000 0.208 127 L C 2.790 179.448 176.870 -0.352 0.000 1.085 127 L CA 1.034 55.827 54.840 -0.078 0.000 0.755 127 L CB -1.129 41.120 42.059 0.317 0.000 0.904 127 L HN 0.271 nan 8.230 nan 0.000 0.435 128 A N -0.546 121.866 122.820 -0.679 0.000 1.930 128 A HA -0.172 4.149 4.320 0.001 0.000 0.217 128 A C 2.359 179.600 177.584 -0.571 0.000 1.175 128 A CA 2.225 53.590 52.037 -1.119 0.000 0.627 128 A CB -0.761 17.572 19.000 -1.111 0.000 0.815 128 A HN 0.353 nan 8.150 nan 0.000 0.443 129 T N 0.008 114.326 114.554 -0.394 0.000 2.812 129 T HA 0.083 4.433 4.350 0.001 0.000 0.264 129 T C 2.232 176.749 174.700 -0.304 0.000 1.042 129 T CA 1.338 63.260 62.100 -0.297 0.000 1.140 129 T CB -0.348 68.397 68.868 -0.205 0.000 0.870 129 T HN 0.557 nan 8.240 nan 0.000 0.445 130 A N 1.318 123.915 122.820 -0.373 0.000 1.930 130 A HA 0.166 4.486 4.320 0.001 0.000 0.217 130 A C 2.568 180.085 177.584 -0.112 0.000 1.175 130 A CA 1.740 53.635 52.037 -0.236 0.000 0.627 130 A CB -1.267 17.476 19.000 -0.429 0.000 0.815 130 A HN 0.498 nan 8.150 nan 0.000 0.443 131 G N -0.326 108.355 108.800 -0.199 0.000 2.421 131 G HA2 -0.014 3.946 3.960 0.001 0.000 0.216 131 G HA3 -0.014 3.946 3.960 0.001 0.000 0.216 131 G C 1.755 176.548 174.900 -0.179 0.000 1.171 131 G CA 1.433 46.444 45.100 -0.149 0.000 0.775 131 G HN 0.777 nan 8.290 nan 0.000 0.543 132 A N 0.553 123.228 122.820 -0.243 0.000 1.902 132 A HA -0.009 4.311 4.320 0.001 0.000 0.217 132 A C 2.216 179.663 177.584 -0.229 0.000 1.181 132 A CA 2.143 54.042 52.037 -0.230 0.000 0.623 132 A CB -0.393 18.467 19.000 -0.233 0.000 0.818 132 A HN 0.416 nan 8.150 nan 0.000 0.443 133 K N -1.843 118.378 120.400 -0.298 0.000 2.057 133 K HA -0.128 4.192 4.320 0.001 0.000 0.206 133 K C 1.159 177.468 176.600 -0.485 0.000 1.050 133 K CA 1.556 57.572 56.287 -0.452 0.000 0.935 133 K CB -0.209 31.881 32.500 -0.684 0.000 0.715 133 K HN 0.535 nan 8.250 nan 0.000 0.439 134 Y N -0.569 119.676 120.300 -0.091 0.000 2.458 134 Y HA 0.275 4.825 4.550 0.000 0.000 0.256 134 Y C 0.832 176.661 175.900 -0.118 0.000 1.159 134 Y CA 0.214 58.272 58.100 -0.069 0.000 1.261 134 Y CB 1.157 39.559 38.460 -0.097 0.000 1.119 134 Y HN 0.301 nan 8.280 nan 0.000 0.524 135 G N 0.737 109.514 108.800 -0.040 0.000 2.255 135 G HA2 -0.179 3.781 3.960 0.001 0.000 0.239 135 G HA3 -0.179 3.781 3.960 0.001 0.000 0.239 135 G C -0.737 174.105 174.900 -0.096 0.000 1.083 135 G CA -0.030 45.021 45.100 -0.081 0.000 0.826 135 G HN 0.097 nan 8.290 nan 0.000 0.493 136 V N 0.210 120.060 119.914 -0.106 0.000 2.459 136 V HA 0.806 4.926 4.120 0.001 0.000 0.295 136 V C 1.193 177.232 176.094 -0.092 0.000 1.029 136 V CA -0.158 62.089 62.300 -0.089 0.000 0.874 136 V CB 1.764 33.536 31.823 -0.086 0.000 0.985 136 V HN 0.859 nan 8.190 nan 0.000 0.438 137 G N 2.707 111.485 108.800 -0.037 0.000 2.483 137 G HA2 0.409 4.370 3.960 0.001 0.000 0.248 137 G HA3 0.409 4.370 3.960 0.001 0.000 0.248 137 G C -1.138 173.762 174.900 -0.000 0.000 1.248 137 G CA 0.034 45.122 45.100 -0.020 0.000 0.838 137 G HN 0.548 nan 8.290 nan 0.000 0.566 138 F N 1.612 121.314 119.950 -0.414 0.000 2.499 138 F HA 0.583 5.110 4.527 0.001 0.000 0.333 138 F C -1.322 174.261 175.800 -0.362 0.000 1.138 138 F CA -1.781 56.037 58.000 -0.304 0.000 0.945 138 F CB 1.328 40.154 39.000 -0.289 0.000 1.181 138 F HN 0.446 nan 8.300 nan 0.000 0.435 139 W N 7.140 128.016 121.300 -0.706 0.000 2.314 139 W HA 0.556 5.216 4.660 0.001 0.000 0.310 139 W C 0.241 176.262 176.519 -0.831 0.000 1.075 139 W CA -0.550 56.482 57.345 -0.523 0.000 1.253 139 W CB 0.935 30.174 29.460 -0.368 0.000 1.238 139 W HN 0.371 nan 8.180 nan 0.000 0.440 140 R N 4.272 124.514 120.500 -0.430 0.000 2.738 140 R HA 0.137 4.477 4.340 0.001 0.000 0.268 140 R C -1.960 174.157 176.300 -0.305 0.000 1.062 140 R CA -1.467 54.386 56.100 -0.413 0.000 1.158 140 R CB -0.295 29.929 30.300 -0.127 0.000 1.046 140 R HN 0.120 nan 8.270 nan 0.000 0.493 141 P HA -0.113 nan 4.420 nan 0.000 0.262 141 P C 0.545 177.763 177.300 -0.136 0.000 1.182 141 P CA 0.967 63.881 63.100 -0.311 0.000 0.761 141 P CB 0.552 31.926 31.700 -0.544 0.000 0.795 142 G N 2.571 111.329 108.800 -0.069 0.000 2.254 142 G HA2 -0.334 3.626 3.960 0.001 0.000 0.225 142 G HA3 -0.334 3.626 3.960 0.001 0.000 0.225 142 G C 1.363 176.265 174.900 0.003 0.000 1.003 142 G CA 0.552 45.637 45.100 -0.025 0.000 0.622 142 G HN 0.586 nan 8.290 nan 0.000 0.507 143 S N 0.206 115.921 115.700 0.025 0.000 2.370 143 S HA 0.405 4.875 4.470 0.001 0.000 0.226 143 S C 1.707 176.327 174.600 0.034 0.000 1.033 143 S CA 1.916 60.181 58.200 0.108 0.000 1.011 143 S CB -0.086 63.273 63.200 0.266 0.000 0.852 143 S HN 2.593 nan 8.310 nan 0.000 0.457 144 G N -0.071 108.716 108.800 -0.021 0.000 2.368 144 G HA2 0.288 4.248 3.960 0.001 0.000 0.302 144 G HA3 0.288 4.248 3.960 0.001 0.000 0.302 144 G C -1.226 173.610 174.900 -0.107 0.000 1.329 144 G CA -0.761 44.295 45.100 -0.073 0.000 0.935 144 G HN 0.355 nan 8.290 nan 0.000 0.590 145 I N 1.355 121.839 120.570 -0.144 0.000 2.529 145 I HA 0.193 4.363 4.170 0.001 0.000 0.284 145 I C 2.163 178.103 176.117 -0.295 0.000 1.082 145 I CA -0.304 60.883 61.300 -0.188 0.000 1.406 145 I CB 1.304 39.196 38.000 -0.180 0.000 1.405 145 I HN 0.657 nan 8.210 nan 0.000 0.548 146 I N 5.339 125.667 120.570 -0.404 0.000 2.143 146 I HA -0.392 3.778 4.170 0.001 0.000 0.245 146 I C 2.223 177.925 176.117 -0.692 0.000 1.068 146 I CA 1.994 62.858 61.300 -0.726 0.000 1.326 146 I CB -0.108 37.469 38.000 -0.706 0.000 1.028 146 I HN 0.682 nan 8.210 nan 0.000 0.412 147 H N -0.377 118.552 119.070 -0.235 0.000 2.470 147 H HA -0.102 4.454 4.556 0.000 0.000 0.289 147 H C 2.064 177.293 175.328 -0.166 0.000 1.033 147 H CA 1.352 57.292 56.048 -0.179 0.000 1.331 147 H CB -0.211 29.488 29.762 -0.106 0.000 1.414 147 H HN 0.470 nan 8.280 nan 0.000 0.545 148 Q N 0.422 120.157 119.800 -0.109 0.000 2.083 148 Q HA -0.039 4.302 4.340 0.001 0.000 0.198 148 Q C 2.138 178.039 176.000 -0.166 0.000 0.969 148 Q CA 0.662 56.402 55.803 -0.105 0.000 0.838 148 Q CB -0.014 28.662 28.738 -0.103 0.000 0.900 148 Q HN 0.204 nan 8.270 nan 0.000 0.436 149 I N 0.353 120.754 120.570 -0.282 0.000 2.226 149 I HA -0.246 3.924 4.170 0.001 0.000 0.245 149 I C 2.133 178.097 176.117 -0.255 0.000 1.100 149 I CA 1.309 62.365 61.300 -0.406 0.000 1.374 149 I CB -0.953 36.646 38.000 -0.669 0.000 1.057 149 I HN 0.313 nan 8.210 nan 0.000 0.413 150 I N 0.004 120.476 120.570 -0.165 0.000 2.252 150 I HA -0.295 3.875 4.170 0.001 0.000 0.245 150 I C 2.520 178.662 176.117 0.042 0.000 1.102 150 I CA 1.014 62.340 61.300 0.045 0.000 1.385 150 I CB -0.209 37.783 38.000 -0.013 0.000 1.064 150 I HN 0.149 nan 8.210 nan 0.000 0.414 151 L N 0.668 121.893 121.223 0.004 0.000 2.093 151 L HA -0.193 4.147 4.340 0.001 0.000 0.208 151 L C 2.284 179.232 176.870 0.129 0.000 1.085 151 L CA 1.864 56.734 54.840 0.051 0.000 0.755 151 L CB -0.395 41.660 42.059 -0.006 0.000 0.904 151 L HN 0.171 nan 8.230 nan 0.000 0.435 152 E N -1.077 119.133 120.200 0.017 0.000 2.274 152 E HA -0.080 4.270 4.350 0.001 0.000 0.194 152 E C 1.150 177.654 176.600 -0.161 0.000 0.996 152 E CA 0.895 57.250 56.400 -0.075 0.000 0.840 152 E CB 0.114 29.699 29.700 -0.193 0.000 0.772 152 E HN 0.601 nan 8.360 nan 0.000 0.491 153 N N -1.546 117.033 118.700 -0.201 0.000 2.272 153 N HA 0.043 4.783 4.740 0.001 0.000 0.228 153 N C 0.519 175.773 175.510 -0.426 0.000 1.206 153 N CA 0.331 53.144 53.050 -0.395 0.000 0.855 153 N CB 0.633 38.740 38.487 -0.633 0.000 1.248 153 N HN 0.108 nan 8.380 nan 0.000 0.476 154 Y N 0.985 121.320 120.300 0.058 0.000 2.512 154 Y HA 0.468 5.018 4.550 0.001 0.000 0.268 154 Y C 0.894 176.868 175.900 0.123 0.000 1.102 154 Y CA -0.650 57.512 58.100 0.103 0.000 1.261 154 Y CB 0.192 38.696 38.460 0.072 0.000 1.250 154 Y HN -0.131 nan 8.280 nan 0.000 0.506 155 A N 1.014 123.956 122.820 0.203 0.000 2.401 155 A HA 0.554 4.874 4.320 0.001 0.000 0.259 155 A C -0.929 176.755 177.584 0.167 0.000 1.103 155 A CA -0.048 52.035 52.037 0.077 0.000 0.789 155 A CB -0.565 18.463 19.000 0.047 0.000 1.035 155 A HN 0.381 nan 8.150 nan 0.000 0.491 156 Y N -0.777 119.572 120.300 0.082 0.000 2.638 156 Y HA 0.688 5.239 4.550 0.000 0.000 0.335 156 Y C -3.275 172.685 175.900 0.101 0.000 1.155 156 Y CA -3.372 54.777 58.100 0.082 0.000 1.046 156 Y CB 0.330 38.820 38.460 0.049 0.000 1.303 156 Y HN 0.384 nan 8.280 nan 0.000 0.460 157 P HA 0.205 nan 4.420 nan 0.000 0.263 157 P C 0.751 178.193 177.300 0.237 0.000 1.195 157 P CA 2.432 65.624 63.100 0.153 0.000 0.762 157 P CB 0.662 32.322 31.700 -0.067 0.000 0.799 158 G N 1.547 110.431 108.800 0.140 0.000 2.176 158 G HA2 -0.235 3.726 3.960 0.001 0.000 0.253 158 G HA3 -0.235 3.726 3.960 0.001 0.000 0.253 158 G C 0.234 175.245 174.900 0.184 0.000 0.979 158 G CA -0.030 45.199 45.100 0.214 0.000 0.641 158 G HN 0.659 nan 8.290 nan 0.000 0.530 159 V N 0.774 120.587 119.914 -0.169 0.000 2.811 159 V HA 0.646 4.766 4.120 0.001 0.000 0.302 159 V C 0.448 176.402 176.094 -0.234 0.000 1.063 159 V CA 0.006 62.092 62.300 -0.357 0.000 1.088 159 V CB 1.484 32.774 31.823 -0.889 0.000 0.982 159 V HN 0.807 nan 8.190 nan 0.000 0.485 160 L N 7.516 128.525 121.223 -0.357 0.000 2.295 160 L HA 0.587 4.927 4.340 0.001 0.000 0.281 160 L C -0.813 175.895 176.870 -0.271 0.000 1.018 160 L CA 0.199 54.781 54.840 -0.429 0.000 0.841 160 L CB 1.079 42.646 42.059 -0.820 0.000 1.218 160 L HN 0.708 nan 8.230 nan 0.000 0.424 161 L N 6.363 127.458 121.223 -0.213 0.000 2.346 161 L HA 0.718 5.058 4.340 0.001 0.000 0.276 161 L C -0.773 175.963 176.870 -0.223 0.000 1.006 161 L CA -0.736 53.989 54.840 -0.191 0.000 0.817 161 L CB 1.668 43.636 42.059 -0.151 0.000 1.272 161 L HN 0.748 nan 8.230 nan 0.000 0.421 162 I N 1.279 121.681 120.570 -0.280 0.000 2.562 162 I HA 0.930 5.100 4.170 0.001 0.000 0.301 162 I C -0.151 175.845 176.117 -0.201 0.000 1.003 162 I CA -0.522 60.582 61.300 -0.327 0.000 1.127 162 I CB 1.927 39.554 38.000 -0.623 0.000 1.304 162 I HN 0.583 nan 8.210 nan 0.000 0.446 163 G N 1.783 110.504 108.800 -0.132 0.000 2.638 163 G HA2 0.507 4.468 3.960 0.001 0.000 0.302 163 G HA3 0.507 4.468 3.960 0.001 0.000 0.302 163 G C -0.364 174.519 174.900 -0.029 0.000 1.365 163 G CA -0.644 44.421 45.100 -0.059 0.000 0.987 163 G HN 0.786 nan 8.290 nan 0.000 0.495 164 T N -1.049 113.496 114.554 -0.016 0.000 4.313 164 T HA 0.448 4.798 4.350 0.001 0.000 0.272 164 T C -0.412 174.303 174.700 0.025 0.000 1.298 164 T CA -0.343 61.759 62.100 0.004 0.000 1.124 164 T CB -0.203 68.667 68.868 0.004 0.000 1.352 164 T HN 0.512 nan 8.240 nan 0.000 1.013 165 D N 0.113 120.544 120.400 0.053 0.000 2.787 165 D HA 0.270 4.910 4.640 0.001 0.000 0.215 165 D C 0.867 177.197 176.300 0.051 0.000 1.246 165 D CA -0.331 53.724 54.000 0.092 0.000 0.798 165 D CB 1.302 42.226 40.800 0.207 0.000 1.649 165 D HN 0.119 nan 8.370 nan 0.000 0.507 166 S N 1.613 117.298 115.700 -0.024 0.000 2.522 166 S HA -0.070 4.400 4.470 0.001 0.000 0.227 166 S C 0.858 175.270 174.600 -0.314 0.000 0.986 166 S CA 0.695 58.806 58.200 -0.147 0.000 0.929 166 S CB -0.288 62.802 63.200 -0.184 0.000 0.769 166 S HN 0.600 nan 8.310 nan 0.000 0.529 167 H N 0.770 119.806 119.070 -0.057 0.000 2.519 167 H HA 0.294 4.850 4.556 0.001 0.000 0.289 167 H C 1.447 176.324 175.328 -0.752 0.000 1.040 167 H CA 0.420 56.300 56.048 -0.281 0.000 1.165 167 H CB 0.016 29.657 29.762 -0.203 0.000 1.462 167 H HN 0.330 nan 8.280 nan 0.000 0.555 168 T N 1.128 115.431 114.554 -0.417 0.000 2.822 168 T HA -0.121 4.230 4.350 0.001 0.000 0.270 168 T C -0.681 173.899 174.700 -0.201 0.000 1.064 168 T CA 0.908 62.842 62.100 -0.276 0.000 1.131 168 T CB -0.838 68.005 68.868 -0.042 0.000 0.858 168 T HN 0.366 nan 8.240 nan 0.000 0.483 169 P HA -0.096 nan 4.420 nan 0.000 0.222 169 P C 1.146 178.410 177.300 -0.060 0.000 1.142 169 P CA 0.811 63.874 63.100 -0.060 0.000 0.788 169 P CB -0.213 31.477 31.700 -0.016 0.000 0.767 170 N N -0.295 118.325 118.700 -0.135 0.000 2.132 170 N HA -0.170 4.570 4.740 0.001 0.000 0.191 170 N C 1.802 177.271 175.510 -0.067 0.000 1.015 170 N CA 1.799 54.783 53.050 -0.110 0.000 0.864 170 N CB -0.988 37.401 38.487 -0.163 0.000 1.006 170 N HN 0.052 nan 8.380 nan 0.000 0.430 171 G N -1.218 107.549 108.800 -0.055 0.000 2.535 171 G HA2 -0.111 3.849 3.960 0.001 0.000 0.218 171 G HA3 -0.111 3.849 3.960 0.001 0.000 0.218 171 G C 1.341 176.236 174.900 -0.008 0.000 1.122 171 G CA 0.599 45.681 45.100 -0.030 0.000 0.769 171 G HN 0.444 nan 8.290 nan 0.000 0.549 172 G N 0.696 109.507 108.800 0.019 0.000 2.509 172 G HA2 0.079 4.040 3.960 0.001 0.000 0.218 172 G HA3 0.079 4.040 3.960 0.001 0.000 0.218 172 G C 1.586 176.561 174.900 0.125 0.000 1.124 172 G CA 0.970 46.122 45.100 0.087 0.000 0.776 172 G HN 0.481 nan 8.290 nan 0.000 0.547 173 G N -0.066 108.746 108.800 0.021 0.000 2.559 173 G HA2 0.042 4.002 3.960 0.001 0.000 0.216 173 G HA3 0.042 4.002 3.960 0.001 0.000 0.216 173 G C 1.029 175.878 174.900 -0.085 0.000 1.126 173 G CA 0.250 45.289 45.100 -0.102 0.000 0.778 173 G HN 0.362 nan 8.290 nan 0.000 0.543 174 L N 0.288 121.509 121.223 -0.003 0.000 3.110 174 L HA 0.449 4.789 4.340 0.001 0.000 0.266 174 L C 1.505 178.450 176.870 0.125 0.000 1.257 174 L CA 0.132 55.010 54.840 0.063 0.000 1.038 174 L CB -0.042 42.057 42.059 0.067 0.000 1.395 174 L HN 0.290 nan 8.230 nan 0.000 0.566 175 G N -0.873 108.011 108.800 0.141 0.000 2.143 175 G HA2 -0.214 3.747 3.960 0.001 0.000 0.248 175 G HA3 -0.214 3.747 3.960 0.001 0.000 0.248 175 G C 0.613 175.575 174.900 0.104 0.000 0.991 175 G CA 0.117 45.317 45.100 0.167 0.000 0.689 175 G HN 0.790 nan 8.290 nan 0.000 0.522 176 G N -0.999 107.830 108.800 0.048 0.000 2.471 176 G HA2 0.648 4.609 3.960 0.001 0.000 0.332 176 G HA3 0.648 4.609 3.960 0.001 0.000 0.332 176 G C -0.273 174.623 174.900 -0.006 0.000 1.176 176 G CA -0.973 44.116 45.100 -0.017 0.000 0.949 176 G HN 0.311 nan 8.290 nan 0.000 0.488 177 I N 0.624 121.173 120.570 -0.035 0.000 2.307 177 I HA 0.272 4.443 4.170 0.001 0.000 0.289 177 I C -0.476 175.607 176.117 -0.056 0.000 1.021 177 I CA -0.585 60.702 61.300 -0.022 0.000 1.224 177 I CB 0.489 38.481 38.000 -0.013 0.000 1.376 177 I HN 0.163 nan 8.210 nan 0.000 0.470 178 C N 7.863 127.142 119.300 -0.036 0.000 2.322 178 C HA 0.610 5.070 4.460 0.001 0.000 0.324 178 C C 0.283 175.251 174.990 -0.036 0.000 1.249 178 C CA -0.733 58.249 59.018 -0.060 0.000 1.453 178 C CB 0.497 28.202 27.740 -0.058 0.000 2.145 178 C HN 0.539 nan 8.230 nan 0.000 0.466 179 I N 2.328 122.870 120.570 -0.047 0.000 2.509 179 I HA 0.506 4.676 4.170 0.001 0.000 0.293 179 I C 0.824 176.927 176.117 -0.023 0.000 1.020 179 I CA -0.096 61.210 61.300 0.010 0.000 1.088 179 I CB 1.745 39.824 38.000 0.132 0.000 1.267 179 I HN 0.794 nan 8.210 nan 0.000 0.430 180 G N 5.284 114.091 108.800 0.012 0.000 2.378 180 G HA2 0.505 4.465 3.960 0.001 0.000 0.255 180 G HA3 0.505 4.465 3.960 0.001 0.000 0.255 180 G C -0.380 174.555 174.900 0.059 0.000 1.270 180 G CA -0.144 44.965 45.100 0.013 0.000 0.876 180 G HN 0.543 nan 8.290 nan 0.000 0.521 181 V N 0.225 120.161 119.914 0.037 0.000 3.159 181 V HA 0.970 5.090 4.120 0.001 0.000 0.308 181 V C 0.564 176.693 176.094 0.058 0.000 1.190 181 V CA -0.557 61.790 62.300 0.078 0.000 1.037 181 V CB 1.364 33.204 31.823 0.029 0.000 1.060 181 V HN 1.031 nan 8.190 nan 0.000 0.437 182 G N 0.069 108.914 108.800 0.075 0.000 2.562 182 G HA2 0.486 4.446 3.960 0.001 0.000 0.275 182 G HA3 0.486 4.446 3.960 0.001 0.000 0.275 182 G C 0.968 175.883 174.900 0.026 0.000 1.196 182 G CA -0.091 45.043 45.100 0.057 0.000 0.908 182 G HN 1.540 nan 8.290 nan 0.000 0.524 183 G N 0.126 108.938 108.800 0.020 0.000 2.442 183 G HA2 -0.021 3.939 3.960 0.001 0.000 0.219 183 G HA3 -0.021 3.939 3.960 0.001 0.000 0.219 183 G C 1.916 176.808 174.900 -0.013 0.000 1.141 183 G CA 1.704 46.807 45.100 0.006 0.000 0.763 183 G HN 0.962 nan 8.290 nan 0.000 0.554 184 A N 0.556 123.357 122.820 -0.032 0.000 2.015 184 A HA 0.009 4.330 4.320 0.001 0.000 0.219 184 A C 2.056 179.610 177.584 -0.051 0.000 1.163 184 A CA 2.009 54.006 52.037 -0.065 0.000 0.646 184 A CB -0.270 18.651 19.000 -0.132 0.000 0.806 184 A HN 0.280 nan 8.150 nan 0.000 0.448 185 D N -0.076 120.323 120.400 -0.001 0.000 2.123 185 D HA 0.037 4.678 4.640 0.001 0.000 0.200 185 D C 2.244 178.537 176.300 -0.012 0.000 0.976 185 D CA 1.355 55.406 54.000 0.085 0.000 0.831 185 D CB -0.275 40.650 40.800 0.208 0.000 0.974 185 D HN 0.380 nan 8.370 nan 0.000 0.469 186 A N 0.268 123.051 122.820 -0.062 0.000 1.933 186 A HA -0.131 4.189 4.320 0.001 0.000 0.218 186 A C 2.420 179.980 177.584 -0.040 0.000 1.175 186 A CA 1.120 53.099 52.037 -0.096 0.000 0.628 186 A CB -0.693 18.256 19.000 -0.084 0.000 0.814 186 A HN 0.149 nan 8.150 nan 0.000 0.444 187 V N 0.670 120.591 119.914 0.011 0.000 2.407 187 V HA -0.256 3.865 4.120 0.001 0.000 0.248 187 V C 2.156 178.310 176.094 0.100 0.000 1.055 187 V CA 2.235 64.594 62.300 0.097 0.000 1.049 187 V CB -0.834 31.038 31.823 0.081 0.000 0.662 187 V HN 0.495 nan 8.190 nan 0.000 0.455 188 D N 0.182 120.618 120.400 0.060 0.000 2.116 188 D HA -0.151 4.489 4.640 0.001 0.000 0.193 188 D C 2.147 178.508 176.300 0.102 0.000 0.998 188 D CA 1.543 55.598 54.000 0.092 0.000 0.836 188 D CB -0.345 40.545 40.800 0.150 0.000 0.951 188 D HN 0.349 nan 8.370 nan 0.000 0.449 189 V N 0.749 120.699 119.914 0.061 0.000 2.379 189 V HA -0.170 3.951 4.120 0.001 0.000 0.245 189 V C 2.488 178.603 176.094 0.035 0.000 1.044 189 V CA 1.113 63.434 62.300 0.035 0.000 1.036 189 V CB -0.357 31.426 31.823 -0.067 0.000 0.664 189 V HN 0.196 nan 8.190 nan 0.000 0.453 190 M N -0.005 119.607 119.600 0.020 0.000 2.279 190 M HA -0.096 4.385 4.480 0.001 0.000 0.264 190 M C 2.066 178.478 176.300 0.187 0.000 1.062 190 M CA 1.805 57.110 55.300 0.008 0.000 1.099 190 M CB -0.390 32.109 32.600 -0.168 0.000 1.394 190 M HN 0.396 nan 8.290 nan 0.000 0.426 191 A N -0.524 122.440 122.820 0.240 0.000 2.218 191 A HA 0.369 4.689 4.320 0.001 0.000 0.209 191 A C 1.636 179.298 177.584 0.129 0.000 1.168 191 A CA 0.839 53.007 52.037 0.219 0.000 0.804 191 A CB -0.495 18.579 19.000 0.123 0.000 0.834 191 A HN 0.618 nan 8.150 nan 0.000 0.482 192 G N -0.392 108.475 108.800 0.111 0.000 2.141 192 G HA2 -0.217 3.743 3.960 0.001 0.000 0.242 192 G HA3 -0.217 3.743 3.960 0.001 0.000 0.242 192 G C 0.211 175.168 174.900 0.095 0.000 0.982 192 G CA 0.243 45.399 45.100 0.094 0.000 0.662 192 G HN 1.363 nan 8.290 nan 0.000 0.527 193 I N -1.629 119.004 120.570 0.106 0.000 2.577 193 I HA 0.786 4.957 4.170 0.001 0.000 0.305 193 I C -2.174 174.031 176.117 0.145 0.000 0.986 193 I CA -3.084 58.283 61.300 0.112 0.000 1.189 193 I CB 1.376 39.440 38.000 0.106 0.000 1.355 193 I HN -0.134 nan 8.210 nan 0.000 0.476 194 P HA -0.047 nan 4.420 nan 0.000 0.265 194 P C -1.493 175.956 177.300 0.248 0.000 1.187 194 P CA 0.265 63.470 63.100 0.176 0.000 0.766 194 P CB 0.174 31.950 31.700 0.126 0.000 0.820 195 W N 3.863 125.213 121.300 0.083 0.000 2.365 195 W HA 0.271 4.931 4.660 0.000 0.000 0.316 195 W C -0.421 176.160 176.519 0.103 0.000 1.164 195 W CA -0.411 56.987 57.345 0.088 0.000 1.204 195 W CB 0.682 30.183 29.460 0.069 0.000 1.213 195 W HN 0.353 nan 8.180 nan 0.000 0.539 196 E N 4.894 124.832 120.200 -0.436 0.000 2.179 196 E HA 0.482 4.832 4.350 0.001 0.000 0.275 196 E C -1.563 174.604 176.600 -0.723 0.000 0.945 196 E CA -1.156 54.997 56.400 -0.412 0.000 0.792 196 E CB 2.108 31.682 29.700 -0.209 0.000 1.125 196 E HN 0.411 nan 8.360 nan 0.000 0.397 197 L N 2.636 123.569 121.223 -0.484 0.000 2.431 197 L HA 0.352 4.692 4.340 0.001 0.000 0.266 197 L C -1.076 175.729 176.870 -0.109 0.000 0.978 197 L CA -0.846 53.749 54.840 -0.408 0.000 0.822 197 L CB 1.651 43.335 42.059 -0.626 0.000 1.310 197 L HN 0.212 nan 8.230 nan 0.000 0.409 198 K N 3.746 124.088 120.400 -0.097 0.000 2.447 198 K HA 0.133 4.454 4.320 0.001 0.000 0.281 198 K C -0.405 176.095 176.600 -0.168 0.000 1.031 198 K CA 0.162 56.252 56.287 -0.328 0.000 1.019 198 K CB 0.200 32.477 32.500 -0.373 0.000 0.918 198 K HN 0.729 nan 8.250 nan 0.000 0.476 199 C N 9.050 128.259 119.300 -0.152 0.000 2.519 199 C HA 0.108 4.568 4.460 0.001 0.000 0.402 199 C C -1.928 173.053 174.990 -0.015 0.000 1.475 199 C CA -1.479 57.521 59.018 -0.029 0.000 1.504 199 C CB -0.854 26.873 27.740 -0.021 0.000 2.454 199 C HN 0.690 nan 8.230 nan 0.000 0.615 200 P HA 0.213 nan 4.420 nan 0.000 0.274 200 P C -0.707 176.611 177.300 0.029 0.000 1.231 200 P CA -0.075 63.035 63.100 0.017 0.000 0.790 200 P CB 0.585 32.299 31.700 0.024 0.000 0.951 201 K N 0.877 121.288 120.400 0.019 0.000 2.120 201 K HA 0.430 4.751 4.320 0.001 0.000 0.245 201 K C -0.234 176.382 176.600 0.027 0.000 1.024 201 K CA -0.726 55.577 56.287 0.026 0.000 0.906 201 K CB 0.325 32.835 32.500 0.017 0.000 1.051 201 K HN 0.232 nan 8.250 nan 0.000 0.491 202 V N 2.349 122.285 119.914 0.038 0.000 2.525 202 V HA 0.375 4.496 4.120 0.001 0.000 0.299 202 V C -0.033 176.088 176.094 0.045 0.000 1.034 202 V CA -0.746 61.588 62.300 0.057 0.000 0.863 202 V CB 1.411 33.306 31.823 0.119 0.000 0.999 202 V HN 0.532 nan 8.190 nan 0.000 0.423 203 I N 3.861 124.400 120.570 -0.052 0.000 2.331 203 I HA 0.582 4.752 4.170 0.001 0.000 0.292 203 I C 0.935 176.855 176.117 -0.329 0.000 0.998 203 I CA -0.057 61.158 61.300 -0.141 0.000 1.267 203 I CB 1.605 39.518 38.000 -0.145 0.000 1.386 203 I HN 0.729 nan 8.210 nan 0.000 0.476 204 G N 5.470 113.951 108.800 -0.531 0.000 2.356 204 G HA2 0.568 4.528 3.960 0.001 0.000 0.322 204 G HA3 0.568 4.528 3.960 0.001 0.000 0.322 204 G C -0.922 173.674 174.900 -0.507 0.000 1.125 204 G CA -0.296 44.253 45.100 -0.918 0.000 0.885 204 G HN 0.356 nan 8.290 nan 0.000 0.467 205 V N 2.415 121.979 119.914 -0.583 0.000 2.376 205 V HA 0.344 4.465 4.120 0.001 0.000 0.287 205 V C 0.100 175.791 176.094 -0.673 0.000 1.015 205 V CA -0.923 61.050 62.300 -0.544 0.000 0.834 205 V CB 1.427 32.839 31.823 -0.685 0.000 1.001 205 V HN 0.794 nan 8.190 nan 0.000 0.428 206 K N 5.856 125.895 120.400 -0.602 0.000 2.248 206 K HA 0.619 4.939 4.320 0.001 0.000 0.281 206 K C -1.074 175.359 176.600 -0.277 0.000 1.054 206 K CA -0.466 55.424 56.287 -0.663 0.000 0.903 206 K CB 0.751 33.016 32.500 -0.391 0.000 1.077 206 K HN 0.612 nan 8.250 nan 0.000 0.474 207 L N 3.515 124.623 121.223 -0.192 0.000 2.295 207 L HA 0.407 4.747 4.340 0.001 0.000 0.285 207 L C 0.040 176.893 176.870 -0.028 0.000 1.035 207 L CA -0.716 54.093 54.840 -0.051 0.000 0.806 207 L CB 1.953 44.033 42.059 0.035 0.000 1.214 207 L HN 0.693 nan 8.230 nan 0.000 0.426 208 T N 1.120 115.668 114.554 -0.009 0.000 2.916 208 T HA 0.745 5.096 4.350 0.001 0.000 0.292 208 T C 0.161 174.870 174.700 0.016 0.000 1.055 208 T CA 0.514 62.617 62.100 0.004 0.000 1.009 208 T CB 2.001 70.867 68.868 -0.004 0.000 1.118 208 T HN 1.005 nan 8.240 nan 0.000 0.497 209 G N 2.051 110.863 108.800 0.020 0.000 2.598 209 G HA2 0.018 3.979 3.960 0.001 0.000 0.244 209 G HA3 0.018 3.979 3.960 0.001 0.000 0.244 209 G C -0.284 174.630 174.900 0.024 0.000 1.302 209 G CA -0.040 45.072 45.100 0.021 0.000 0.903 209 G HN 1.783 nan 8.290 nan 0.000 0.575 210 S N -1.648 114.065 115.700 0.022 0.000 2.550 210 S HA 0.701 5.171 4.470 0.001 0.000 0.270 210 S C -0.475 174.136 174.600 0.019 0.000 1.145 210 S CA -0.564 57.649 58.200 0.021 0.000 0.852 210 S CB 1.746 64.958 63.200 0.019 0.000 1.119 210 S HN 1.183 nan 8.310 nan 0.000 0.465 211 L N 2.717 123.949 121.223 0.015 0.000 2.461 211 L HA 0.549 4.889 4.340 0.001 0.000 0.272 211 L C 0.549 177.426 176.870 0.012 0.000 1.197 211 L CA 0.102 54.951 54.840 0.016 0.000 0.836 211 L CB 1.012 43.075 42.059 0.007 0.000 1.105 211 L HN 1.007 nan 8.230 nan 0.000 0.477 212 S N 0.748 116.461 115.700 0.021 0.000 2.564 212 S HA 0.838 5.309 4.470 0.001 0.000 0.274 212 S C 0.072 174.687 174.600 0.025 0.000 1.124 212 S CA -0.219 57.989 58.200 0.014 0.000 0.869 212 S CB 1.922 65.134 63.200 0.019 0.000 1.105 212 S HN 1.145 nan 8.310 nan 0.000 0.472 213 G N 1.604 110.399 108.800 -0.009 0.000 2.596 213 G HA2 -0.338 3.622 3.960 0.001 0.000 0.304 213 G HA3 -0.338 3.622 3.960 0.001 0.000 0.304 213 G C 0.331 175.198 174.900 -0.055 0.000 1.189 213 G CA 0.694 45.778 45.100 -0.027 0.000 0.986 213 G HN 0.965 nan 8.290 nan 0.000 0.548 214 W N 2.040 123.323 121.300 -0.027 0.000 2.905 214 W HA 0.356 5.016 4.660 0.000 0.000 0.251 214 W C 1.626 178.135 176.519 -0.017 0.000 1.305 214 W CA 0.953 58.281 57.345 -0.029 0.000 1.465 214 W CB -0.061 29.374 29.460 -0.042 0.000 1.122 214 W HN 0.439 nan 8.180 nan 0.000 0.659 215 T N 1.058 115.720 114.554 0.181 0.000 2.884 215 T HA 0.315 4.666 4.350 0.001 0.000 0.298 215 T C 0.459 175.204 174.700 0.074 0.000 0.998 215 T CA -0.183 61.992 62.100 0.126 0.000 1.124 215 T CB 1.039 69.965 68.868 0.098 0.000 0.931 215 T HN -0.037 nan 8.240 nan 0.000 0.531 216 S N 2.403 118.143 115.700 0.066 0.000 2.709 216 S HA 0.565 5.036 4.470 0.001 0.000 0.302 216 S C -2.342 172.262 174.600 0.006 0.000 1.127 216 S CA -1.727 56.488 58.200 0.025 0.000 0.905 216 S CB 1.510 64.726 63.200 0.028 0.000 1.151 216 S HN 0.241 nan 8.310 nan 0.000 0.510 217 P HA -0.105 nan 4.420 nan 0.000 0.216 217 P C 1.326 178.604 177.300 -0.037 0.000 1.153 217 P CA 1.344 64.414 63.100 -0.050 0.000 0.858 217 P CB 0.020 31.663 31.700 -0.094 0.000 0.789 218 K N 0.197 120.584 120.400 -0.022 0.000 2.113 218 K HA -0.192 4.129 4.320 0.001 0.000 0.208 218 K C 1.565 178.164 176.600 -0.001 0.000 1.047 218 K CA 1.750 58.031 56.287 -0.010 0.000 0.928 218 K CB -1.108 31.395 32.500 0.006 0.000 0.716 218 K HN 0.061 nan 8.250 nan 0.000 0.446 219 D N -0.374 120.037 120.400 0.017 0.000 2.218 219 D HA -0.123 4.517 4.640 0.001 0.000 0.204 219 D C 1.819 178.082 176.300 -0.061 0.000 0.976 219 D CA 1.088 55.095 54.000 0.013 0.000 0.853 219 D CB 0.012 40.864 40.800 0.087 0.000 0.939 219 D HN 0.074 nan 8.370 nan 0.000 0.481 220 V N 1.105 121.001 119.914 -0.029 0.000 2.307 220 V HA -0.204 3.917 4.120 0.001 0.000 0.245 220 V C 2.365 178.448 176.094 -0.017 0.000 1.045 220 V CA 1.053 63.341 62.300 -0.019 0.000 1.024 220 V CB -0.224 31.603 31.823 0.007 0.000 0.651 220 V HN 0.119 nan 8.190 nan 0.000 0.449 221 I N -0.790 119.772 120.570 -0.012 0.000 2.761 221 I HA -0.042 4.128 4.170 0.001 0.000 0.261 221 I C 1.929 178.032 176.117 -0.024 0.000 1.198 221 I CA 1.255 62.562 61.300 0.012 0.000 1.482 221 I CB -0.215 37.796 38.000 0.019 0.000 1.100 221 I HN 0.149 nan 8.210 nan 0.000 0.445 222 L N -0.013 121.175 121.223 -0.058 0.000 2.093 222 L HA -0.179 4.161 4.340 0.001 0.000 0.208 222 L C 2.443 179.210 176.870 -0.172 0.000 1.085 222 L CA 1.227 56.020 54.840 -0.078 0.000 0.755 222 L CB -0.690 41.346 42.059 -0.038 0.000 0.904 222 L HN 0.176 nan 8.230 nan 0.000 0.435 223 K N 0.401 120.626 120.400 -0.291 0.000 2.025 223 K HA -0.109 4.212 4.320 0.001 0.000 0.207 223 K C 1.875 178.403 176.600 -0.120 0.000 1.049 223 K CA 1.430 57.534 56.287 -0.306 0.000 0.933 223 K CB -0.483 31.829 32.500 -0.313 0.000 0.714 223 K HN -0.015 nan 8.250 nan 0.000 0.438 224 V N 1.226 121.103 119.914 -0.061 0.000 2.332 224 V HA -0.274 3.846 4.120 0.001 0.000 0.248 224 V C 2.377 178.464 176.094 -0.013 0.000 1.055 224 V CA 2.084 64.374 62.300 -0.018 0.000 1.038 224 V CB -0.981 30.866 31.823 0.039 0.000 0.651 224 V HN 0.513 nan 8.190 nan 0.000 0.450 225 A N 0.400 123.215 122.820 -0.008 0.000 1.902 225 A HA -0.115 4.206 4.320 0.001 0.000 0.217 225 A C 2.425 180.008 177.584 -0.000 0.000 1.181 225 A CA 2.009 54.049 52.037 0.005 0.000 0.623 225 A CB -1.223 17.783 19.000 0.010 0.000 0.818 225 A HN 0.542 nan 8.150 nan 0.000 0.443 226 G N -0.176 108.614 108.800 -0.018 0.000 2.422 226 G HA2 -0.155 3.806 3.960 0.001 0.000 0.218 226 G HA3 -0.155 3.806 3.960 0.001 0.000 0.218 226 G C 1.528 176.428 174.900 0.000 0.000 1.146 226 G CA 1.107 46.202 45.100 -0.008 0.000 0.769 226 G HN 0.481 nan 8.290 nan 0.000 0.547 227 I N -0.294 120.270 120.570 -0.009 0.000 2.163 227 I HA -0.062 4.109 4.170 0.001 0.000 0.240 227 I C 2.426 178.541 176.117 -0.003 0.000 1.081 227 I CA 0.522 61.819 61.300 -0.006 0.000 1.353 227 I CB -0.096 37.893 38.000 -0.018 0.000 1.054 227 I HN 0.073 nan 8.210 nan 0.000 0.407 228 L N 0.287 121.507 121.223 -0.005 0.000 2.270 228 L HA 0.035 4.375 4.340 0.001 0.000 0.210 228 L C 1.007 177.884 176.870 0.010 0.000 1.104 228 L CA 1.389 56.228 54.840 -0.003 0.000 0.804 228 L CB -0.987 41.067 42.059 -0.009 0.000 0.937 228 L HN 0.666 nan 8.230 nan 0.000 0.450 229 T N -5.474 109.090 114.554 0.017 0.000 0.541 229 T HA -0.237 4.113 4.350 0.001 0.000 0.774 229 T C 0.975 175.699 174.700 0.041 0.000 0.992 229 T CA 0.751 62.869 62.100 0.029 0.000 4.077 229 T CB -1.352 67.533 68.868 0.028 0.000 2.303 229 T HN 0.432 nan 8.240 nan 0.000 0.398 230 V N -0.275 119.674 119.914 0.058 0.000 2.867 230 V HA -0.002 4.118 4.120 0.001 0.000 0.260 230 V C 2.065 178.196 176.094 0.062 0.000 1.099 230 V CA 2.014 64.361 62.300 0.077 0.000 1.122 230 V CB -1.329 30.561 31.823 0.111 0.000 0.708 230 V HN 1.115 nan 8.190 nan 0.000 0.490 231 K N 0.447 120.873 120.400 0.043 0.000 2.373 231 K HA 0.431 4.751 4.320 0.001 0.000 0.202 231 K C 1.760 178.378 176.600 0.031 0.000 1.025 231 K CA 0.574 56.884 56.287 0.039 0.000 1.115 231 K CB 0.459 32.976 32.500 0.029 0.000 0.858 231 K HN 0.328 nan 8.250 nan 0.000 0.525 232 G N 1.254 110.069 108.800 0.025 0.000 2.511 232 G HA2 -0.098 3.863 3.960 0.001 0.000 0.217 232 G HA3 -0.098 3.863 3.960 0.001 0.000 0.217 232 G C 1.199 176.105 174.900 0.010 0.000 1.133 232 G CA 0.495 45.603 45.100 0.014 0.000 0.792 232 G HN 0.425 nan 8.290 nan 0.000 0.539 233 G N -0.147 108.664 108.800 0.017 0.000 3.088 233 G HA2 0.218 4.178 3.960 0.001 0.000 0.217 233 G HA3 0.218 4.178 3.960 0.001 0.000 0.217 233 G C 0.602 175.515 174.900 0.023 0.000 1.159 233 G CA 0.047 45.154 45.100 0.012 0.000 0.760 233 G HN 0.251 nan 8.290 nan 0.000 0.550 234 T N 1.088 115.661 114.554 0.033 0.000 2.866 234 T HA 0.366 4.717 4.350 0.001 0.000 0.293 234 T C 1.558 176.277 174.700 0.032 0.000 1.005 234 T CA 1.147 63.273 62.100 0.043 0.000 1.162 234 T CB 0.719 69.619 68.868 0.053 0.000 0.968 234 T HN 0.945 nan 8.240 nan 0.000 0.530 235 G N 1.601 110.421 108.800 0.033 0.000 2.179 235 G HA2 -0.006 3.954 3.960 0.001 0.000 0.260 235 G HA3 -0.006 3.954 3.960 0.001 0.000 0.260 235 G C 0.116 175.023 174.900 0.012 0.000 0.977 235 G CA -0.028 45.083 45.100 0.018 0.000 0.641 235 G HN 1.226 nan 8.290 nan 0.000 0.533 236 A N -0.564 122.265 122.820 0.015 0.000 2.380 236 A HA 0.866 5.186 4.320 0.001 0.000 0.315 236 A C -0.144 177.445 177.584 0.008 0.000 1.101 236 A CA -0.714 51.328 52.037 0.008 0.000 0.771 236 A CB 1.279 20.276 19.000 -0.005 0.000 1.287 236 A HN 0.633 nan 8.150 nan 0.000 0.436 237 I N 1.391 121.964 120.570 0.004 0.000 2.385 237 I HA 0.315 4.485 4.170 0.001 0.000 0.294 237 I C -0.577 175.516 176.117 -0.040 0.000 0.988 237 I CA -0.725 60.576 61.300 0.001 0.000 1.265 237 I CB 1.807 39.813 38.000 0.011 0.000 1.388 237 I HN 0.297 nan 8.210 nan 0.000 0.480 238 V N 5.786 125.661 119.914 -0.064 0.000 2.383 238 V HA 0.220 4.340 4.120 0.001 0.000 0.275 238 V C 0.074 176.024 176.094 -0.239 0.000 1.036 238 V CA -0.446 61.733 62.300 -0.201 0.000 0.889 238 V CB 1.183 32.880 31.823 -0.211 0.000 0.985 238 V HN 0.717 nan 8.190 nan 0.000 0.459 239 E N 4.245 124.237 120.200 -0.348 0.000 2.141 239 E HA 0.391 4.742 4.350 0.001 0.000 0.259 239 E C -1.507 174.847 176.600 -0.410 0.000 0.883 239 E CA -0.619 55.635 56.400 -0.243 0.000 0.744 239 E CB 0.847 30.514 29.700 -0.054 0.000 1.150 239 E HN 0.633 nan 8.360 nan 0.000 0.420 240 Y N 4.354 124.397 120.300 -0.428 0.000 2.309 240 Y HA 0.241 4.791 4.550 0.000 0.000 0.327 240 Y C 0.833 176.554 175.900 -0.298 0.000 1.172 240 Y CA 0.218 57.965 58.100 -0.589 0.000 1.280 240 Y CB 0.710 38.337 38.460 -1.388 0.000 1.234 240 Y HN 0.518 nan 8.280 nan 0.000 0.512 241 H N -0.293 118.700 119.070 -0.129 0.000 2.918 241 H HA 0.739 5.295 4.556 0.001 0.000 0.303 241 H C -0.234 175.105 175.328 0.020 0.000 1.380 241 H CA -1.169 54.867 56.048 -0.019 0.000 1.134 241 H CB 1.414 31.172 29.762 -0.007 0.000 1.842 241 H HN 0.921 nan 8.280 nan 0.000 0.533 242 G N 0.179 109.036 108.800 0.096 0.000 2.570 242 G HA2 -0.103 3.857 3.960 0.001 0.000 0.686 242 G HA3 -0.103 3.857 3.960 0.001 0.000 0.686 242 G C -2.313 172.626 174.900 0.066 0.000 1.257 242 G CA -0.304 44.819 45.100 0.039 0.000 0.846 242 G HN 0.541 nan 8.290 nan 0.000 0.627 243 P HA -0.015 nan 4.420 nan 0.000 0.222 243 P C 1.803 179.138 177.300 0.060 0.000 1.147 243 P CA 1.789 64.925 63.100 0.060 0.000 0.790 243 P CB -0.152 31.576 31.700 0.047 0.000 0.780 244 G N 0.268 109.098 108.800 0.050 0.000 2.534 244 G HA2 -0.131 3.829 3.960 0.001 0.000 0.217 244 G HA3 -0.131 3.829 3.960 0.001 0.000 0.217 244 G C 1.625 176.572 174.900 0.079 0.000 1.128 244 G CA 0.150 45.282 45.100 0.053 0.000 0.784 244 G HN 0.151 nan 8.290 nan 0.000 0.542 245 V N 1.264 121.248 119.914 0.117 0.000 2.332 245 V HA -0.186 3.934 4.120 0.001 0.000 0.248 245 V C 2.333 178.470 176.094 0.071 0.000 1.055 245 V CA 2.107 64.510 62.300 0.172 0.000 1.038 245 V CB -0.262 31.707 31.823 0.244 0.000 0.651 245 V HN 0.390 nan 8.190 nan 0.000 0.450 246 D N -0.633 119.809 120.400 0.069 0.000 2.348 246 D HA -0.090 4.550 4.640 0.001 0.000 0.216 246 D C 2.188 178.500 176.300 0.021 0.000 0.970 246 D CA 1.263 55.292 54.000 0.048 0.000 0.889 246 D CB 0.135 41.048 40.800 0.189 0.000 0.912 246 D HN 0.499 nan 8.370 nan 0.000 0.524 247 S N -0.067 115.645 115.700 0.021 0.000 2.522 247 S HA -0.004 4.466 4.470 0.001 0.000 0.227 247 S C 0.832 175.410 174.600 -0.037 0.000 0.986 247 S CA -0.043 58.159 58.200 0.005 0.000 0.929 247 S CB 0.098 63.309 63.200 0.017 0.000 0.769 247 S HN 0.085 nan 8.310 nan 0.000 0.529 248 I N 2.387 122.909 120.570 -0.080 0.000 2.412 248 I HA 0.296 4.466 4.170 0.001 0.000 0.296 248 I C 0.469 176.474 176.117 -0.186 0.000 0.987 248 I CA -0.784 60.433 61.300 -0.139 0.000 1.180 248 I CB 2.067 39.952 38.000 -0.192 0.000 1.340 248 I HN 0.185 nan 8.210 nan 0.000 0.455 249 S N 3.338 118.942 115.700 -0.160 0.000 2.589 249 S HA -0.015 4.455 4.470 0.001 0.000 0.265 249 S C 1.172 175.632 174.600 -0.233 0.000 1.342 249 S CA -0.709 57.401 58.200 -0.149 0.000 1.005 249 S CB 1.157 64.308 63.200 -0.082 0.000 0.909 249 S HN 0.893 nan 8.310 nan 0.000 0.555 250 C N 2.007 121.173 119.300 -0.225 0.000 2.413 250 C HA -0.097 4.364 4.460 0.001 0.000 0.277 250 C C 2.933 177.680 174.990 -0.405 0.000 1.265 250 C CA 1.680 60.499 59.018 -0.333 0.000 1.752 250 C CB -2.154 25.381 27.740 -0.340 0.000 1.998 250 C HN 1.056 nan 8.230 nan 0.000 0.489 251 T N -1.652 112.702 114.554 -0.334 0.000 2.951 251 T HA 0.081 4.432 4.350 0.001 0.000 0.268 251 T C 1.973 176.544 174.700 -0.216 0.000 1.073 251 T CA 1.471 63.410 62.100 -0.269 0.000 1.134 251 T CB -0.848 67.943 68.868 -0.129 0.000 0.884 251 T HN 0.586 nan 8.240 nan 0.000 0.479 252 G N 1.588 110.262 108.800 -0.212 0.000 2.418 252 G HA2 -0.119 3.841 3.960 0.001 0.000 0.217 252 G HA3 -0.119 3.841 3.960 0.001 0.000 0.217 252 G C 1.609 176.319 174.900 -0.317 0.000 1.158 252 G CA 0.805 45.778 45.100 -0.212 0.000 0.771 252 G HN 0.476 nan 8.290 nan 0.000 0.545 253 M N 0.767 120.070 119.600 -0.495 0.000 2.159 253 M HA 0.028 4.508 4.480 0.001 0.000 0.263 253 M C 3.035 179.081 176.300 -0.423 0.000 1.063 253 M CA 1.288 56.099 55.300 -0.816 0.000 1.110 253 M CB -0.212 31.673 32.600 -1.191 0.000 1.374 253 M HN 0.312 nan 8.290 nan 0.000 0.411 254 A N 0.041 122.682 122.820 -0.298 0.000 1.902 254 A HA -0.138 4.183 4.320 0.001 0.000 0.217 254 A C 2.190 179.696 177.584 -0.130 0.000 1.181 254 A CA 2.147 54.077 52.037 -0.177 0.000 0.623 254 A CB -1.138 17.749 19.000 -0.189 0.000 0.818 254 A HN 0.434 nan 8.150 nan 0.000 0.443 255 T N 0.527 114.998 114.554 -0.139 0.000 2.665 255 T HA -0.174 4.176 4.350 0.001 0.000 0.268 255 T C 1.787 176.439 174.700 -0.079 0.000 1.035 255 T CA 1.792 63.831 62.100 -0.101 0.000 1.151 255 T CB -0.458 68.352 68.868 -0.096 0.000 0.862 255 T HN 0.443 nan 8.240 nan 0.000 0.438 256 I N 0.526 121.036 120.570 -0.101 0.000 2.252 256 I HA -0.171 3.999 4.170 0.001 0.000 0.245 256 I C 2.669 178.777 176.117 -0.015 0.000 1.102 256 I CA 0.860 62.112 61.300 -0.080 0.000 1.385 256 I CB -0.411 37.492 38.000 -0.161 0.000 1.064 256 I HN 0.333 nan 8.210 nan 0.000 0.414 257 C N 0.480 119.794 119.300 0.025 0.000 2.425 257 C HA -0.140 4.320 4.460 0.001 0.000 0.277 257 C C 2.710 177.733 174.990 0.054 0.000 1.280 257 C CA 0.847 59.920 59.018 0.091 0.000 1.744 257 C CB -1.483 26.322 27.740 0.107 0.000 1.989 257 C HN 0.590 nan 8.230 nan 0.000 0.491 258 N N 1.125 119.830 118.700 0.007 0.000 2.025 258 N HA -0.160 4.580 4.740 0.001 0.000 0.194 258 N C 1.670 177.241 175.510 0.102 0.000 1.044 258 N CA 1.700 54.756 53.050 0.011 0.000 0.851 258 N CB -0.436 38.013 38.487 -0.064 0.000 1.036 258 N HN 0.500 nan 8.380 nan 0.000 0.422 259 M N 0.320 119.951 119.600 0.051 0.000 2.659 259 M HA 0.069 4.549 4.480 0.001 0.000 0.243 259 M C 1.480 177.837 176.300 0.095 0.000 1.111 259 M CA 0.407 55.753 55.300 0.076 0.000 1.070 259 M CB -0.075 32.534 32.600 0.016 0.000 1.525 259 M HN 0.193 nan 8.290 nan 0.000 0.517 260 G N -0.248 108.612 108.800 0.099 0.000 2.498 260 G HA2 -0.147 3.813 3.960 0.001 0.000 0.219 260 G HA3 -0.147 3.813 3.960 0.001 0.000 0.219 260 G C 1.415 176.361 174.900 0.076 0.000 1.119 260 G CA 0.761 45.920 45.100 0.098 0.000 0.766 260 G HN 0.600 nan 8.290 nan 0.000 0.552 261 A N 0.763 123.629 122.820 0.078 0.000 2.019 261 A HA 0.021 4.342 4.320 0.001 0.000 0.219 261 A C 2.094 179.707 177.584 0.049 0.000 1.164 261 A CA 1.783 53.831 52.037 0.019 0.000 0.644 261 A CB -0.190 18.727 19.000 -0.140 0.000 0.805 261 A HN 0.300 nan 8.150 nan 0.000 0.449 262 E N -0.423 119.832 120.200 0.090 0.000 2.516 262 E HA -0.020 4.330 4.350 0.001 0.000 0.199 262 E C 1.395 178.050 176.600 0.091 0.000 1.069 262 E CA 0.785 57.241 56.400 0.093 0.000 0.876 262 E CB -0.252 29.491 29.700 0.073 0.000 0.843 262 E HN 0.899 nan 8.360 nan 0.000 0.530 263 I N -5.505 115.108 120.570 0.072 0.000 3.976 263 I HA 0.431 4.601 4.170 0.001 0.000 0.337 263 I C 1.122 177.273 176.117 0.058 0.000 1.359 263 I CA 0.351 61.687 61.300 0.061 0.000 1.098 263 I CB 0.455 38.481 38.000 0.043 0.000 1.027 263 I HN 0.042 nan 8.210 nan 0.000 0.394 264 G N 1.742 110.580 108.800 0.063 0.000 2.141 264 G HA2 -0.231 3.730 3.960 0.001 0.000 0.242 264 G HA3 -0.231 3.730 3.960 0.001 0.000 0.242 264 G C 0.485 175.417 174.900 0.053 0.000 0.982 264 G CA -0.018 45.120 45.100 0.063 0.000 0.662 264 G HN 0.939 nan 8.290 nan 0.000 0.527 265 A N -0.178 122.668 122.820 0.044 0.000 2.520 265 A HA 0.592 4.912 4.320 0.001 0.000 0.235 265 A C 1.677 179.287 177.584 0.044 0.000 1.065 265 A CA 1.532 53.591 52.037 0.037 0.000 0.764 265 A CB 0.192 19.212 19.000 0.034 0.000 1.002 265 A HN 0.768 nan 8.150 nan 0.000 0.502 266 T N 0.420 115.002 114.554 0.047 0.000 2.788 266 T HA 0.074 4.424 4.350 0.001 0.000 0.268 266 T C 0.926 175.664 174.700 0.063 0.000 1.044 266 T CA 2.017 64.155 62.100 0.064 0.000 1.139 266 T CB -0.199 68.709 68.868 0.065 0.000 0.867 266 T HN 1.019 nan 8.240 nan 0.000 0.454 267 T N -0.958 113.627 114.554 0.051 0.000 2.652 267 T HA 0.451 4.801 4.350 0.001 0.000 0.303 267 T C -1.975 172.759 174.700 0.058 0.000 1.738 267 T CA -0.709 61.420 62.100 0.049 0.000 0.969 267 T CB 1.207 70.104 68.868 0.048 0.000 1.778 267 T HN 0.019 nan 8.240 nan 0.000 0.494 268 S N 0.022 115.771 115.700 0.083 0.000 2.599 268 S HA 0.909 5.380 4.470 0.001 0.000 0.287 268 S C -1.402 173.287 174.600 0.147 0.000 1.105 268 S CA -0.646 57.633 58.200 0.131 0.000 0.899 268 S CB 1.891 65.231 63.200 0.233 0.000 1.100 268 S HN 0.860 nan 8.310 nan 0.000 0.482 269 V N 2.022 122.034 119.914 0.164 0.000 3.087 269 V HA 0.710 4.830 4.120 0.001 0.000 0.306 269 V C -2.165 174.038 176.094 0.182 0.000 1.187 269 V CA -0.629 61.779 62.300 0.180 0.000 0.999 269 V CB 1.868 33.759 31.823 0.113 0.000 1.049 269 V HN 0.822 nan 8.190 nan 0.000 0.431 270 F N 5.774 125.802 119.950 0.129 0.000 2.522 270 F HA 0.741 5.268 4.527 0.000 0.000 0.324 270 F C -2.038 173.840 175.800 0.129 0.000 1.077 270 F CA -2.023 56.055 58.000 0.131 0.000 0.944 270 F CB 2.408 41.437 39.000 0.049 0.000 1.175 270 F HN 0.355 nan 8.300 nan 0.000 0.468 271 P HA -0.009 nan 4.420 nan 0.000 0.274 271 P C -1.051 176.411 177.300 0.270 0.000 1.231 271 P CA -0.147 63.103 63.100 0.250 0.000 0.790 271 P CB 0.545 32.365 31.700 0.200 0.000 0.951 272 Y N 3.794 124.175 120.300 0.134 0.000 2.620 272 Y HA 0.151 4.702 4.550 0.001 0.000 0.330 272 Y C 0.232 176.203 175.900 0.118 0.000 1.186 272 Y CA 0.368 58.541 58.100 0.121 0.000 1.467 272 Y CB -0.289 38.239 38.460 0.114 0.000 1.262 272 Y HN 0.513 nan 8.280 nan 0.000 0.550 273 N N 2.179 120.635 118.700 -0.405 0.000 3.039 273 N HA 0.109 4.850 4.740 0.001 0.000 0.257 273 N C 0.466 175.751 175.510 -0.375 0.000 1.497 273 N CA -0.260 52.598 53.050 -0.320 0.000 0.861 273 N CB 0.039 38.483 38.487 -0.072 0.000 1.479 273 N HN 0.592 nan 8.380 nan 0.000 0.547 274 H N -0.750 118.183 119.070 -0.228 0.000 2.491 274 H HA 0.141 4.698 4.556 0.000 0.000 0.290 274 H C 0.480 175.773 175.328 -0.058 0.000 1.050 274 H CA 0.827 56.793 56.048 -0.137 0.000 1.309 274 H CB 0.066 29.782 29.762 -0.077 0.000 1.392 274 H HN 0.359 nan 8.280 nan 0.000 0.554 275 R N 0.473 120.662 120.500 -0.519 0.000 2.115 275 R HA 0.051 4.391 4.340 0.001 0.000 0.226 275 R C 2.473 178.727 176.300 -0.075 0.000 1.100 275 R CA 0.864 56.782 56.100 -0.304 0.000 0.980 275 R CB -0.394 29.709 30.300 -0.328 0.000 0.875 275 R HN 0.435 nan 8.270 nan 0.000 0.445 276 M N 0.434 120.014 119.600 -0.033 0.000 2.200 276 M HA -0.066 4.414 4.480 0.001 0.000 0.265 276 M C 2.343 178.792 176.300 0.249 0.000 1.066 276 M CA 1.344 56.727 55.300 0.138 0.000 1.127 276 M CB -0.265 32.483 32.600 0.247 0.000 1.379 276 M HN -0.001 nan 8.290 nan 0.000 0.420 277 K N 1.086 121.601 120.400 0.192 0.000 2.063 277 K HA -0.220 4.101 4.320 0.001 0.000 0.208 277 K C 2.100 178.807 176.600 0.177 0.000 1.048 277 K CA 1.513 57.947 56.287 0.244 0.000 0.928 277 K CB -0.095 32.500 32.500 0.158 0.000 0.713 277 K HN 0.150 nan 8.250 nan 0.000 0.442 278 K N -0.264 120.214 120.400 0.131 0.000 2.057 278 K HA -0.222 4.098 4.320 0.001 0.000 0.207 278 K C 2.192 178.873 176.600 0.135 0.000 1.049 278 K CA 1.632 57.986 56.287 0.110 0.000 0.931 278 K CB -0.311 32.240 32.500 0.084 0.000 0.714 278 K HN 0.222 nan 8.250 nan 0.000 0.440 279 Y N 1.572 121.907 120.300 0.058 0.000 2.181 279 Y HA -0.186 4.364 4.550 0.000 0.000 0.288 279 Y C 1.919 177.871 175.900 0.087 0.000 1.146 279 Y CA 1.467 59.612 58.100 0.076 0.000 1.164 279 Y CB -0.215 38.278 38.460 0.054 0.000 0.982 279 Y HN 0.005 nan 8.280 nan 0.000 0.515 280 L N -1.000 120.315 121.223 0.153 0.000 2.012 280 L HA -0.277 4.064 4.340 0.001 0.000 0.210 280 L C 2.497 179.372 176.870 0.008 0.000 1.073 280 L CA 1.712 56.597 54.840 0.075 0.000 0.748 280 L CB -0.736 41.420 42.059 0.162 0.000 0.891 280 L HN 0.128 nan 8.230 nan 0.000 0.431 281 S N -0.406 115.320 115.700 0.043 0.000 2.368 281 S HA -0.203 4.268 4.470 0.001 0.000 0.225 281 S C 1.928 176.525 174.600 -0.004 0.000 1.030 281 S CA 1.378 59.595 58.200 0.028 0.000 0.999 281 S CB -0.190 63.037 63.200 0.045 0.000 0.844 281 S HN 0.212 nan 8.310 nan 0.000 0.459 282 K N 2.054 122.438 120.400 -0.026 0.000 2.365 282 K HA -0.000 4.320 4.320 0.001 0.000 0.199 282 K C 1.277 177.885 176.600 0.012 0.000 1.045 282 K CA 1.083 57.362 56.287 -0.013 0.000 0.962 282 K CB -0.425 32.063 32.500 -0.021 0.000 0.759 282 K HN 0.448 nan 8.250 nan 0.000 0.469 283 T N -2.987 111.486 114.554 -0.136 0.000 3.264 283 T HA 0.330 4.680 4.350 0.001 0.000 0.257 283 T C 0.929 175.587 174.700 -0.070 0.000 0.976 283 T CA -0.115 61.875 62.100 -0.183 0.000 0.908 283 T CB -0.036 68.561 68.868 -0.451 0.000 1.082 283 T HN 0.257 nan 8.240 nan 0.000 0.567 284 G N 2.140 110.948 108.800 0.012 0.000 2.160 284 G HA2 -0.286 3.675 3.960 0.001 0.000 0.251 284 G HA3 -0.286 3.675 3.960 0.001 0.000 0.251 284 G C 0.396 175.374 174.900 0.130 0.000 1.008 284 G CA -0.012 45.150 45.100 0.103 0.000 0.724 284 G HN 0.618 nan 8.290 nan 0.000 0.514 285 R N -0.577 119.943 120.500 0.033 0.000 2.776 285 R HA 0.534 4.875 4.340 0.001 0.000 0.391 285 R C 1.988 178.310 176.300 0.037 0.000 1.116 285 R CA 0.335 56.447 56.100 0.019 0.000 1.056 285 R CB 0.277 30.543 30.300 -0.056 0.000 1.369 285 R HN 0.346 nan 8.270 nan 0.000 0.590 286 A N 1.452 124.299 122.820 0.045 0.000 1.972 286 A HA -0.222 4.098 4.320 0.001 0.000 0.219 286 A C 1.680 179.297 177.584 0.056 0.000 1.169 286 A CA 1.894 53.964 52.037 0.054 0.000 0.635 286 A CB -0.139 18.885 19.000 0.041 0.000 0.810 286 A HN 0.456 nan 8.150 nan 0.000 0.446 287 D N 0.504 120.927 120.400 0.038 0.000 2.144 287 D HA -0.158 4.482 4.640 0.001 0.000 0.200 287 D C 1.720 178.036 176.300 0.026 0.000 0.978 287 D CA 1.311 55.328 54.000 0.029 0.000 0.833 287 D CB -0.701 40.105 40.800 0.010 0.000 0.961 287 D HN 0.528 nan 8.370 nan 0.000 0.470 288 I N 1.051 121.623 120.570 0.004 0.000 2.252 288 I HA -0.166 4.004 4.170 0.001 0.000 0.245 288 I C 2.694 178.851 176.117 0.067 0.000 1.102 288 I CA 1.058 62.347 61.300 -0.019 0.000 1.385 288 I CB -0.328 37.626 38.000 -0.076 0.000 1.064 288 I HN 0.022 nan 8.210 nan 0.000 0.414 289 A N 0.989 123.874 122.820 0.109 0.000 1.972 289 A HA -0.199 4.121 4.320 0.001 0.000 0.219 289 A C 2.039 179.745 177.584 0.204 0.000 1.169 289 A CA 1.776 53.929 52.037 0.192 0.000 0.635 289 A CB -0.578 18.555 19.000 0.222 0.000 0.810 289 A HN 0.409 nan 8.150 nan 0.000 0.446 290 N N -0.359 118.430 118.700 0.149 0.000 2.171 290 N HA -0.094 4.646 4.740 0.001 0.000 0.184 290 N C 1.593 177.206 175.510 0.172 0.000 1.021 290 N CA 1.349 54.485 53.050 0.144 0.000 0.854 290 N CB -0.500 38.046 38.487 0.098 0.000 0.994 290 N HN 0.423 nan 8.380 nan 0.000 0.426 291 L N 1.201 122.530 121.223 0.177 0.000 2.093 291 L HA 0.034 4.374 4.340 0.001 0.000 0.208 291 L C 2.043 179.160 176.870 0.412 0.000 1.085 291 L CA 1.386 56.397 54.840 0.284 0.000 0.755 291 L CB -0.797 41.381 42.059 0.198 0.000 0.904 291 L HN 0.104 nan 8.230 nan 0.000 0.435 292 A N -0.881 122.113 122.820 0.291 0.000 1.933 292 A HA -0.208 4.112 4.320 0.001 0.000 0.218 292 A C 1.947 179.619 177.584 0.146 0.000 1.175 292 A CA 1.752 53.820 52.037 0.052 0.000 0.628 292 A CB -0.790 17.938 19.000 -0.455 0.000 0.814 292 A HN 0.508 nan 8.150 nan 0.000 0.444 293 D N -0.026 120.545 120.400 0.285 0.000 2.149 293 D HA -0.137 4.503 4.640 0.001 0.000 0.198 293 D C 1.857 178.264 176.300 0.178 0.000 0.990 293 D CA 1.377 55.552 54.000 0.292 0.000 0.839 293 D CB -0.320 40.617 40.800 0.229 0.000 0.948 293 D HN 0.633 nan 8.370 nan 0.000 0.460 294 E N -0.992 119.310 120.200 0.169 0.000 2.274 294 E HA -0.076 4.275 4.350 0.001 0.000 0.194 294 E C 0.760 177.297 176.600 -0.105 0.000 0.996 294 E CA 0.442 56.861 56.400 0.030 0.000 0.840 294 E CB 0.032 29.747 29.700 0.025 0.000 0.772 294 E HN 0.325 nan 8.360 nan 0.000 0.491 295 F N 0.200 120.164 119.950 0.023 0.000 2.647 295 F HA 0.169 4.697 4.527 0.000 0.000 0.300 295 F C 1.661 177.427 175.800 -0.058 0.000 1.106 295 F CA -0.307 57.684 58.000 -0.015 0.000 1.313 295 F CB 0.464 39.371 39.000 -0.155 0.000 1.007 295 F HN -0.199 nan 8.300 nan 0.000 0.536 296 K N 1.066 121.540 120.400 0.125 0.000 2.127 296 K HA -0.231 4.090 4.320 0.001 0.000 0.208 296 K C 1.318 177.953 176.600 0.058 0.000 1.047 296 K CA 2.145 58.522 56.287 0.151 0.000 0.927 296 K CB -0.281 32.328 32.500 0.182 0.000 0.716 296 K HN 0.108 nan 8.250 nan 0.000 0.450 297 D N -0.374 119.978 120.400 -0.079 0.000 2.178 297 D HA -0.146 4.494 4.640 0.001 0.000 0.201 297 D C 1.358 177.547 176.300 -0.186 0.000 0.980 297 D CA 1.021 54.915 54.000 -0.177 0.000 0.842 297 D CB -0.228 40.372 40.800 -0.333 0.000 0.948 297 D HN 0.465 nan 8.370 nan 0.000 0.472 298 H N -0.448 118.656 119.070 0.057 0.000 2.539 298 H HA 0.190 4.747 4.556 0.001 0.000 0.267 298 H C 1.374 176.717 175.328 0.025 0.000 0.982 298 H CA 0.278 56.352 56.048 0.043 0.000 1.146 298 H CB 0.596 30.388 29.762 0.050 0.000 1.382 298 H HN 0.173 nan 8.280 nan 0.000 0.577 299 L N 0.776 122.072 121.223 0.121 0.000 2.959 299 L HA 0.187 4.527 4.340 0.001 0.000 0.259 299 L C 0.161 177.131 176.870 0.166 0.000 1.185 299 L CA -0.191 54.724 54.840 0.125 0.000 0.998 299 L CB 0.804 42.916 42.059 0.087 0.000 1.337 299 L HN -0.061 nan 8.230 nan 0.000 0.555 300 V N -4.148 115.842 119.914 0.125 0.000 3.040 300 V HA 0.702 4.822 4.120 0.001 0.000 0.312 300 V C -2.742 173.398 176.094 0.077 0.000 1.115 300 V CA -2.337 60.032 62.300 0.115 0.000 0.998 300 V CB 1.877 33.762 31.823 0.103 0.000 1.042 300 V HN -0.157 nan 8.190 nan 0.000 0.433 301 P HA 0.237 nan 4.420 nan 0.000 0.272 301 P C -0.828 176.473 177.300 0.003 0.000 1.223 301 P CA 0.115 63.230 63.100 0.025 0.000 0.784 301 P CB 0.496 32.208 31.700 0.020 0.000 0.923 302 D N 0.043 120.430 120.400 -0.021 0.000 2.362 302 D HA 0.048 4.689 4.640 0.001 0.000 0.242 302 D C 0.537 176.814 176.300 -0.038 0.000 1.132 302 D CA 0.299 54.286 54.000 -0.023 0.000 0.907 302 D CB 0.342 41.128 40.800 -0.022 0.000 1.195 302 D HN 0.156 nan 8.370 nan 0.000 0.429 303 S N -0.091 115.595 115.700 -0.023 0.000 2.533 303 S HA 0.367 4.838 4.470 0.001 0.000 0.282 303 S C 1.138 175.717 174.600 -0.035 0.000 1.304 303 S CA 0.467 58.655 58.200 -0.020 0.000 1.063 303 S CB 0.175 63.370 63.200 -0.007 0.000 0.881 303 S HN 0.645 nan 8.310 nan 0.000 0.493 304 G N 2.928 111.703 108.800 -0.041 0.000 2.160 304 G HA2 -0.269 3.691 3.960 0.001 0.000 0.251 304 G HA3 -0.269 3.691 3.960 0.001 0.000 0.251 304 G C 0.469 175.313 174.900 -0.094 0.000 1.008 304 G CA 0.103 45.174 45.100 -0.048 0.000 0.724 304 G HN 1.501 nan 8.290 nan 0.000 0.514 305 C N -0.605 118.590 119.300 -0.176 0.000 2.657 305 C HA 0.676 5.137 4.460 0.001 0.000 0.404 305 C C 0.870 175.630 174.990 -0.383 0.000 1.291 305 C CA -1.235 57.627 59.018 -0.261 0.000 2.218 305 C CB 0.617 28.154 27.740 -0.339 0.000 2.687 305 C HN 0.547 nan 8.230 nan 0.000 0.634 306 H N 1.581 120.423 119.070 -0.380 0.000 2.517 306 H HA 0.376 4.932 4.556 0.001 0.000 0.317 306 H C -1.305 173.795 175.328 -0.379 0.000 1.080 306 H CA -0.136 55.730 56.048 -0.303 0.000 1.301 306 H CB 0.446 30.129 29.762 -0.132 0.000 1.425 306 H HN 0.783 nan 8.280 nan 0.000 0.471 307 Y N 3.394 123.401 120.300 -0.489 0.000 2.334 307 Y HA 0.058 4.608 4.550 0.001 0.000 0.328 307 Y C 1.536 177.059 175.900 -0.628 0.000 1.130 307 Y CA -0.710 57.138 58.100 -0.421 0.000 1.163 307 Y CB 1.038 39.340 38.460 -0.263 0.000 1.207 307 Y HN 0.651 nan 8.280 nan 0.000 0.471 308 D N 0.835 121.135 120.400 -0.166 0.000 2.312 308 D HA -0.112 4.528 4.640 0.001 0.000 0.211 308 D C 0.234 176.496 176.300 -0.062 0.000 0.964 308 D CA 1.164 55.105 54.000 -0.099 0.000 0.877 308 D CB 0.575 41.381 40.800 0.009 0.000 0.924 308 D HN 0.575 nan 8.370 nan 0.000 0.515 309 Q N 0.068 119.834 119.800 -0.057 0.000 2.353 309 Q HA 0.371 4.712 4.340 0.001 0.000 0.275 309 Q C -2.170 173.788 176.000 -0.069 0.000 1.029 309 Q CA -0.652 55.121 55.803 -0.049 0.000 0.848 309 Q CB 2.277 30.987 28.738 -0.046 0.000 1.390 309 Q HN -0.066 nan 8.270 nan 0.000 0.401 310 L N 5.119 126.307 121.223 -0.058 0.000 2.386 310 L HA 0.655 4.996 4.340 0.001 0.000 0.271 310 L C -1.584 175.237 176.870 -0.082 0.000 0.993 310 L CA -0.637 54.156 54.840 -0.078 0.000 0.819 310 L CB 1.804 43.858 42.059 -0.007 0.000 1.294 310 L HN 0.814 nan 8.230 nan 0.000 0.414 311 I N 3.116 123.611 120.570 -0.125 0.000 2.608 311 I HA 0.399 4.569 4.170 0.001 0.000 0.295 311 I C -0.592 175.453 176.117 -0.119 0.000 1.049 311 I CA -0.494 60.742 61.300 -0.106 0.000 1.063 311 I CB 2.628 40.554 38.000 -0.124 0.000 1.248 311 I HN 0.584 nan 8.210 nan 0.000 0.424 312 E N 6.340 126.492 120.200 -0.080 0.000 2.222 312 E HA 0.650 5.001 4.350 0.001 0.000 0.267 312 E C -1.609 174.959 176.600 -0.054 0.000 0.884 312 E CA -0.555 55.797 56.400 -0.079 0.000 0.764 312 E CB 1.866 31.537 29.700 -0.048 0.000 1.169 312 E HN 0.475 nan 8.360 nan 0.000 0.413 313 I N 3.825 124.364 120.570 -0.051 0.000 2.466 313 I HA 0.228 4.398 4.170 0.001 0.000 0.289 313 I C -0.708 175.404 176.117 -0.009 0.000 1.026 313 I CA -1.067 60.221 61.300 -0.021 0.000 1.078 313 I CB 1.826 39.821 38.000 -0.008 0.000 1.249 313 I HN 0.470 nan 8.210 nan 0.000 0.429 314 N N 6.318 125.019 118.700 0.002 0.000 2.437 314 N HA 0.175 4.916 4.740 0.001 0.000 0.243 314 N C 0.504 176.025 175.510 0.019 0.000 1.041 314 N CA -0.331 52.724 53.050 0.010 0.000 0.940 314 N CB 1.065 39.559 38.487 0.012 0.000 1.133 314 N HN 0.475 nan 8.380 nan 0.000 0.506 315 L N 2.370 123.606 121.223 0.021 0.000 2.187 315 L HA -0.076 4.265 4.340 0.001 0.000 0.213 315 L C 1.977 178.865 176.870 0.030 0.000 1.100 315 L CA 1.378 56.235 54.840 0.028 0.000 0.765 315 L CB -0.831 41.244 42.059 0.027 0.000 0.904 315 L HN 0.546 nan 8.230 nan 0.000 0.437 316 S N -1.185 114.531 115.700 0.026 0.000 2.453 316 S HA -0.115 4.356 4.470 0.001 0.000 0.231 316 S C 1.706 176.324 174.600 0.030 0.000 1.005 316 S CA 0.745 58.961 58.200 0.027 0.000 0.949 316 S CB -0.011 63.202 63.200 0.022 0.000 0.774 316 S HN 0.423 nan 8.310 nan 0.000 0.510 317 E N 0.216 120.435 120.200 0.031 0.000 2.472 317 E HA 0.215 4.565 4.350 0.001 0.000 0.196 317 E C -0.020 176.611 176.600 0.050 0.000 1.033 317 E CA -0.203 56.218 56.400 0.035 0.000 0.886 317 E CB 0.197 29.915 29.700 0.030 0.000 0.944 317 E HN 0.213 nan 8.360 nan 0.000 0.492 318 L N 1.261 122.519 121.223 0.058 0.000 2.416 318 L HA 0.236 4.576 4.340 0.001 0.000 0.272 318 L C -0.436 176.494 176.870 0.100 0.000 1.161 318 L CA 0.263 55.156 54.840 0.089 0.000 0.845 318 L CB 0.495 42.596 42.059 0.069 0.000 1.119 318 L HN -0.283 nan 8.230 nan 0.000 0.464 319 K N 5.190 125.671 120.400 0.134 0.000 2.295 319 K HA 0.631 4.951 4.320 0.001 0.000 0.239 319 K C -2.556 174.117 176.600 0.121 0.000 0.991 319 K CA -2.248 54.090 56.287 0.084 0.000 0.845 319 K CB 1.438 33.945 32.500 0.012 0.000 1.197 319 K HN 0.282 nan 8.250 nan 0.000 0.441 320 P HA -0.039 nan 4.420 nan 0.000 0.264 320 P C -0.814 176.489 177.300 0.005 0.000 1.183 320 P CA 0.604 63.745 63.100 0.068 0.000 0.763 320 P CB 0.330 32.023 31.700 -0.012 0.000 0.807 321 H N 1.608 120.689 119.070 0.018 0.000 2.771 321 H HA 0.658 5.214 4.556 0.001 0.000 0.367 321 H C -0.520 174.833 175.328 0.042 0.000 1.172 321 H CA -0.760 55.306 56.048 0.030 0.000 1.186 321 H CB 2.375 32.152 29.762 0.026 0.000 1.790 321 H HN 0.309 nan 8.280 nan 0.000 0.556 322 I N 2.131 122.811 120.570 0.184 0.000 2.610 322 I HA 0.211 4.381 4.170 0.001 0.000 0.289 322 I C -1.552 174.716 176.117 0.253 0.000 1.163 322 I CA -0.587 60.825 61.300 0.186 0.000 1.044 322 I CB 1.482 39.558 38.000 0.127 0.000 1.251 322 I HN 0.459 nan 8.210 nan 0.000 0.424 323 N N 4.578 123.394 118.700 0.192 0.000 2.370 323 N HA 0.959 5.700 4.740 0.001 0.000 0.303 323 N C -0.298 175.264 175.510 0.086 0.000 1.103 323 N CA 0.139 53.250 53.050 0.102 0.000 0.848 323 N CB 2.111 40.610 38.487 0.021 0.000 1.235 323 N HN 1.026 nan 8.380 nan 0.000 0.496 324 G N 0.401 109.196 108.800 -0.008 0.000 2.343 324 G HA2 0.020 3.980 3.960 0.001 0.000 0.465 324 G HA3 0.020 3.980 3.960 0.001 0.000 0.465 324 G C -3.305 171.334 174.900 -0.435 0.000 1.282 324 G CA -0.921 44.005 45.100 -0.290 0.000 0.996 324 G HN 0.467 nan 8.290 nan 0.000 0.521 325 P HA 0.707 nan 4.420 nan 0.000 0.288 325 P C 0.575 177.467 177.300 -0.680 0.000 1.297 325 P CA 0.035 62.397 63.100 -1.231 0.000 0.864 325 P CB 1.157 31.867 31.700 -1.651 0.000 1.237 326 F N -3.969 115.790 119.950 -0.319 0.000 2.574 326 F HA -0.251 4.277 4.527 0.001 0.000 0.630 326 F C 0.635 176.487 175.800 0.086 0.000 0.496 326 F CA 1.889 59.828 58.000 -0.102 0.000 0.836 326 F CB -2.558 36.384 39.000 -0.096 0.000 1.679 326 F HN 0.367 nan 8.300 nan 0.000 0.260 327 T N -1.469 113.179 114.554 0.156 0.000 2.912 327 T HA 0.518 4.868 4.350 0.001 0.000 0.299 327 T C -2.064 172.679 174.700 0.072 0.000 1.052 327 T CA -1.116 61.109 62.100 0.209 0.000 0.996 327 T CB 3.244 72.211 68.868 0.165 0.000 1.070 327 T HN -0.087 nan 8.240 nan 0.000 0.465 328 P HA 0.040 nan 4.420 nan 0.000 0.241 328 P C 0.351 177.662 177.300 0.020 0.000 1.191 328 P CA 0.674 63.778 63.100 0.006 0.000 0.771 328 P CB 0.114 31.800 31.700 -0.023 0.000 0.929 329 D N -1.170 119.256 120.400 0.043 0.000 2.349 329 D HA -0.015 4.625 4.640 0.001 0.000 0.214 329 D C 0.749 177.052 176.300 0.006 0.000 1.063 329 D CA -0.264 53.752 54.000 0.026 0.000 0.847 329 D CB -0.844 39.982 40.800 0.043 0.000 0.933 329 D HN 0.173 nan 8.370 nan 0.000 0.513 330 L N 1.546 122.767 121.223 -0.004 0.000 2.401 330 L HA 0.420 4.760 4.340 0.001 0.000 0.283 330 L C -0.300 176.435 176.870 -0.226 0.000 1.151 330 L CA -0.323 54.493 54.840 -0.040 0.000 0.942 330 L CB -0.113 41.974 42.059 0.047 0.000 1.283 330 L HN 0.024 nan 8.230 nan 0.000 0.442 331 A N 5.165 127.863 122.820 -0.204 0.000 2.309 331 A HA 0.578 4.899 4.320 0.001 0.000 0.298 331 A C -0.744 176.641 177.584 -0.331 0.000 1.165 331 A CA -0.380 51.549 52.037 -0.180 0.000 0.821 331 A CB 0.379 19.395 19.000 0.026 0.000 1.102 331 A HN 0.759 nan 8.150 nan 0.000 0.500 332 H N 1.220 120.413 119.070 0.205 0.000 2.768 332 H HA 0.400 4.956 4.556 0.000 0.000 0.371 332 H C -2.854 172.423 175.328 -0.085 0.000 1.151 332 H CA -1.973 54.135 56.048 0.099 0.000 1.165 332 H CB 1.520 31.356 29.762 0.123 0.000 1.722 332 H HN 0.379 nan 8.280 nan 0.000 0.543 333 P HA -0.029 nan 4.420 nan 0.000 0.271 333 P C 1.183 178.397 177.300 -0.143 0.000 1.218 333 P CA -0.174 62.717 63.100 -0.349 0.000 0.780 333 P CB 1.221 32.753 31.700 -0.280 0.000 0.901 334 V N 2.506 122.317 119.914 -0.171 0.000 2.407 334 V HA -0.271 3.849 4.120 0.001 0.000 0.248 334 V C 2.337 178.329 176.094 -0.170 0.000 1.055 334 V CA 2.613 64.825 62.300 -0.147 0.000 1.049 334 V CB -1.575 30.139 31.823 -0.182 0.000 0.662 334 V HN 0.678 nan 8.190 nan 0.000 0.455 335 A N -0.417 122.292 122.820 -0.185 0.000 2.032 335 A HA -0.262 4.059 4.320 0.001 0.000 0.221 335 A C 2.038 179.547 177.584 -0.125 0.000 1.165 335 A CA 2.187 54.121 52.037 -0.172 0.000 0.645 335 A CB -0.317 18.590 19.000 -0.155 0.000 0.807 335 A HN 0.677 nan 8.150 nan 0.000 0.453 336 E N -1.692 118.453 120.200 -0.091 0.000 2.511 336 E HA 0.142 4.492 4.350 0.001 0.000 0.209 336 E C 1.419 177.979 176.600 -0.068 0.000 0.986 336 E CA 0.205 56.567 56.400 -0.063 0.000 0.974 336 E CB 0.457 30.142 29.700 -0.025 0.000 1.030 336 E HN 0.269 nan 8.360 nan 0.000 0.490 337 V N 0.748 120.617 119.914 -0.075 0.000 2.490 337 V HA -0.151 3.969 4.120 0.001 0.000 0.250 337 V C 1.973 177.997 176.094 -0.117 0.000 1.061 337 V CA 2.349 64.578 62.300 -0.118 0.000 1.064 337 V CB -0.452 31.300 31.823 -0.118 0.000 0.670 337 V HN 0.418 nan 8.190 nan 0.000 0.461 338 G N -0.774 107.958 108.800 -0.113 0.000 2.440 338 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 338 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 338 G C 1.738 176.585 174.900 -0.088 0.000 1.154 338 G CA 1.254 46.297 45.100 -0.095 0.000 0.767 338 G HN 0.584 nan 8.290 nan 0.000 0.552 339 S N -0.219 115.426 115.700 -0.093 0.000 2.425 339 S HA 0.009 4.479 4.470 0.001 0.000 0.225 339 S C 2.407 176.927 174.600 -0.133 0.000 1.024 339 S CA 0.744 58.887 58.200 -0.096 0.000 0.951 339 S CB 0.128 63.281 63.200 -0.078 0.000 0.796 339 S HN 0.185 nan 8.310 nan 0.000 0.498 340 V N 2.244 122.065 119.914 -0.156 0.000 2.453 340 V HA -0.095 4.025 4.120 0.001 0.000 0.247 340 V C 2.666 178.481 176.094 -0.465 0.000 1.048 340 V CA 1.461 63.606 62.300 -0.259 0.000 1.049 340 V CB -1.238 30.450 31.823 -0.225 0.000 0.672 340 V HN 0.511 nan 8.190 nan 0.000 0.457 341 A N 0.120 122.790 122.820 -0.249 0.000 1.858 341 A HA -0.295 4.025 4.320 0.001 0.000 0.216 341 A C 2.251 179.697 177.584 -0.230 0.000 1.190 341 A CA 2.158 54.118 52.037 -0.128 0.000 0.617 341 A CB -0.570 18.517 19.000 0.144 0.000 0.827 341 A HN 0.598 nan 8.150 nan 0.000 0.443 342 E N -0.199 119.910 120.200 -0.152 0.000 2.049 342 E HA -0.282 4.068 4.350 0.001 0.000 0.198 342 E C 2.122 178.621 176.600 -0.168 0.000 1.007 342 E CA 1.901 58.228 56.400 -0.123 0.000 0.809 342 E CB -0.166 29.478 29.700 -0.094 0.000 0.749 342 E HN 0.606 nan 8.360 nan 0.000 0.450 343 K N 0.154 120.429 120.400 -0.209 0.000 2.063 343 K HA -0.225 4.096 4.320 0.001 0.000 0.208 343 K C 1.837 178.268 176.600 -0.283 0.000 1.048 343 K CA 1.814 57.975 56.287 -0.210 0.000 0.928 343 K CB -0.016 32.367 32.500 -0.194 0.000 0.713 343 K HN -0.015 nan 8.250 nan 0.000 0.442 344 E N -0.959 118.929 120.200 -0.520 0.000 2.481 344 E HA 0.074 4.424 4.350 0.001 0.000 0.195 344 E C 0.393 176.751 176.600 -0.404 0.000 1.047 344 E CA 0.718 56.753 56.400 -0.609 0.000 0.867 344 E CB 0.540 29.451 29.700 -1.315 0.000 0.858 344 E HN 0.579 nan 8.360 nan 0.000 0.513 345 G N 0.409 109.044 108.800 -0.275 0.000 2.160 345 G HA2 -0.206 3.754 3.960 0.001 0.000 0.244 345 G HA3 -0.206 3.754 3.960 0.001 0.000 0.244 345 G C -0.546 174.429 174.900 0.124 0.000 1.022 345 G CA -0.017 45.052 45.100 -0.052 0.000 0.741 345 G HN 0.043 nan 8.290 nan 0.000 0.508 346 W N -0.187 121.173 121.300 0.101 0.000 2.316 346 W HA 0.513 5.174 4.660 0.000 0.000 0.311 346 W C -2.007 174.503 176.519 -0.015 0.000 1.217 346 W CA -3.274 54.136 57.345 0.110 0.000 1.199 346 W CB 0.011 29.670 29.460 0.331 0.000 1.202 346 W HN 0.020 nan 8.180 nan 0.000 0.528 347 P HA -0.080 nan 4.420 nan 0.000 0.261 347 P C 1.026 178.368 177.300 0.071 0.000 1.183 347 P CA 0.210 63.329 63.100 0.031 0.000 0.761 347 P CB 0.647 32.322 31.700 -0.042 0.000 0.785 348 L N 2.335 123.580 121.223 0.036 0.000 2.240 348 L HA 0.007 4.347 4.340 0.001 0.000 0.211 348 L C 0.996 177.861 176.870 -0.007 0.000 1.106 348 L CA 1.539 56.384 54.840 0.008 0.000 0.793 348 L CB -0.996 41.059 42.059 -0.006 0.000 0.927 348 L HN 0.448 nan 8.230 nan 0.000 0.446 349 D N 0.342 120.744 120.400 0.003 0.000 2.264 349 D HA 0.157 4.798 4.640 0.001 0.000 0.250 349 D C 0.046 176.355 176.300 0.015 0.000 1.113 349 D CA -0.351 53.649 54.000 -0.001 0.000 0.871 349 D CB 1.902 42.703 40.800 0.000 0.000 1.167 349 D HN 0.009 nan 8.370 nan 0.000 0.447 350 I N 2.723 123.298 120.570 0.007 0.000 2.312 350 I HA 0.091 4.262 4.170 0.001 0.000 0.291 350 I C 1.673 177.815 176.117 0.042 0.000 1.031 350 I CA -0.798 60.520 61.300 0.029 0.000 1.293 350 I CB 1.181 39.185 38.000 0.007 0.000 1.403 350 I HN 0.136 nan 8.210 nan 0.000 0.484 351 R N 4.484 125.025 120.500 0.069 0.000 2.062 351 R HA 0.170 4.511 4.340 0.001 0.000 0.226 351 R C 0.080 176.447 176.300 0.111 0.000 1.125 351 R CA 0.939 57.087 56.100 0.078 0.000 0.966 351 R CB -0.100 30.248 30.300 0.081 0.000 0.861 351 R HN 0.408 nan 8.270 nan 0.000 0.433 352 V N -0.472 119.530 119.914 0.146 0.000 2.709 352 V HA 0.601 4.722 4.120 0.001 0.000 0.308 352 V C -0.113 176.061 176.094 0.133 0.000 1.062 352 V CA -1.139 61.269 62.300 0.180 0.000 0.901 352 V CB 2.017 34.026 31.823 0.310 0.000 1.003 352 V HN 0.304 nan 8.190 nan 0.000 0.425 353 G N 3.450 112.340 108.800 0.151 0.000 2.422 353 G HA2 0.695 4.655 3.960 0.001 0.000 0.317 353 G HA3 0.695 4.655 3.960 0.001 0.000 0.317 353 G C -1.352 173.618 174.900 0.116 0.000 1.210 353 G CA -0.407 44.783 45.100 0.149 0.000 0.930 353 G HN 0.490 nan 8.290 nan 0.000 0.468 354 L N 3.681 124.848 121.223 -0.094 0.000 2.343 354 L HA 0.527 4.867 4.340 0.001 0.000 0.278 354 L C 0.314 177.020 176.870 -0.272 0.000 0.996 354 L CA -0.703 53.983 54.840 -0.258 0.000 0.831 354 L CB 1.686 43.465 42.059 -0.466 0.000 1.232 354 L HN 0.625 nan 8.230 nan 0.000 0.413 355 I N -0.314 120.160 120.570 -0.160 0.000 2.607 355 I HA 1.063 5.233 4.170 0.001 0.000 0.305 355 I C 0.637 176.769 176.117 0.026 0.000 0.995 355 I CA -0.307 60.956 61.300 -0.062 0.000 1.148 355 I CB 1.836 39.824 38.000 -0.021 0.000 1.323 355 I HN 0.686 nan 8.210 nan 0.000 0.461 356 G N 3.191 112.047 108.800 0.094 0.000 2.301 356 G HA2 0.281 4.241 3.960 0.001 0.000 0.194 356 G HA3 0.281 4.241 3.960 0.001 0.000 0.194 356 G C -0.187 174.778 174.900 0.109 0.000 1.266 356 G CA 0.313 45.460 45.100 0.079 0.000 1.210 356 G HN 2.554 nan 8.290 nan 0.000 0.524 357 S N -2.908 112.741 115.700 -0.084 0.000 3.799 357 S HA -0.068 4.402 4.470 0.001 0.000 0.726 357 S C 1.971 176.482 174.600 -0.149 0.000 1.480 357 S CA 1.399 59.434 58.200 -0.275 0.000 1.488 357 S CB -1.764 61.144 63.200 -0.487 0.000 0.408 357 S HN 2.792 nan 8.310 nan 0.000 0.868 358 C N -0.212 118.995 119.300 -0.154 0.000 2.419 358 C HA 0.069 4.530 4.460 0.001 0.000 0.281 358 C C 2.789 177.732 174.990 -0.078 0.000 1.336 358 C CA 1.461 60.433 59.018 -0.077 0.000 1.770 358 C CB -2.510 25.246 27.740 0.027 0.000 1.929 358 C HN 0.997 nan 8.230 nan 0.000 0.509 359 T N 0.728 115.212 114.554 -0.117 0.000 2.788 359 T HA -0.119 4.231 4.350 0.001 0.000 0.268 359 T C 0.813 175.480 174.700 -0.054 0.000 1.044 359 T CA 1.867 63.908 62.100 -0.100 0.000 1.139 359 T CB -0.502 68.299 68.868 -0.112 0.000 0.867 359 T HN 0.775 nan 8.240 nan 0.000 0.454 360 N N 0.348 119.032 118.700 -0.027 0.000 2.651 360 N HA 0.183 4.923 4.740 0.001 0.000 0.277 360 N C -0.302 175.208 175.510 -0.001 0.000 1.787 360 N CA -0.167 52.877 53.050 -0.009 0.000 0.818 360 N CB 1.067 39.561 38.487 0.011 0.000 1.316 360 N HN 0.152 nan 8.380 nan 0.000 0.503 361 S N -1.654 114.041 115.700 -0.009 0.000 2.843 361 S HA 0.161 4.631 4.470 0.001 0.000 0.249 361 S C 0.518 175.136 174.600 0.030 0.000 1.047 361 S CA -0.658 57.542 58.200 0.000 0.000 1.042 361 S CB -0.065 63.123 63.200 -0.021 0.000 0.936 361 S HN 0.239 nan 8.310 nan 0.000 0.531 362 S N 0.635 116.361 115.700 0.043 0.000 2.634 362 S HA 0.379 4.849 4.470 0.001 0.000 0.261 362 S C 0.828 175.533 174.600 0.175 0.000 1.271 362 S CA -0.533 57.735 58.200 0.113 0.000 0.985 362 S CB 0.141 63.399 63.200 0.096 0.000 0.968 362 S HN 0.319 nan 8.310 nan 0.000 0.568 363 Y N 0.562 120.968 120.300 0.177 0.000 2.181 363 Y HA -0.113 4.437 4.550 0.000 0.000 0.288 363 Y C 2.596 178.574 175.900 0.130 0.000 1.146 363 Y CA 2.307 60.538 58.100 0.219 0.000 1.164 363 Y CB -0.334 38.312 38.460 0.310 0.000 0.982 363 Y HN 0.957 nan 8.280 nan 0.000 0.515 364 E N -0.350 119.953 120.200 0.171 0.000 2.106 364 E HA -0.217 4.133 4.350 0.001 0.000 0.192 364 E C 1.557 178.097 176.600 -0.099 0.000 0.984 364 E CA 1.447 57.858 56.400 0.019 0.000 0.806 364 E CB -0.108 29.632 29.700 0.067 0.000 0.750 364 E HN 0.528 nan 8.360 nan 0.000 0.458 365 D N 0.169 120.534 120.400 -0.058 0.000 2.117 365 D HA -0.152 4.488 4.640 0.001 0.000 0.198 365 D C 1.956 178.177 176.300 -0.131 0.000 0.982 365 D CA 0.961 54.918 54.000 -0.072 0.000 0.828 365 D CB -0.076 40.708 40.800 -0.028 0.000 0.967 365 D HN 0.277 nan 8.370 nan 0.000 0.464 366 M N 0.302 119.807 119.600 -0.157 0.000 2.175 366 M HA -0.012 4.468 4.480 0.001 0.000 0.264 366 M C 2.338 178.309 176.300 -0.548 0.000 1.063 366 M CA 0.951 56.121 55.300 -0.217 0.000 1.119 366 M CB -1.287 31.258 32.600 -0.092 0.000 1.377 366 M HN -0.012 nan 8.290 nan 0.000 0.415 367 G N -0.237 108.055 108.800 -0.846 0.000 2.403 367 G HA2 -0.167 3.793 3.960 0.001 0.000 0.216 367 G HA3 -0.167 3.793 3.960 0.001 0.000 0.216 367 G C 1.892 176.425 174.900 -0.611 0.000 1.154 367 G CA 0.232 44.560 45.100 -1.288 0.000 0.784 367 G HN 0.373 nan 8.290 nan 0.000 0.538 368 R N 0.444 120.728 120.500 -0.360 0.000 2.075 368 R HA -0.012 4.329 4.340 0.001 0.000 0.232 368 R C 3.003 179.192 176.300 -0.185 0.000 1.126 368 R CA 1.403 57.361 56.100 -0.237 0.000 0.963 368 R CB -0.248 29.952 30.300 -0.165 0.000 0.858 368 R HN 0.312 nan 8.270 nan 0.000 0.435 369 S N 0.843 116.459 115.700 -0.141 0.000 2.368 369 S HA -0.158 4.313 4.470 0.001 0.000 0.225 369 S C 2.094 176.664 174.600 -0.051 0.000 1.030 369 S CA 1.270 59.448 58.200 -0.037 0.000 0.999 369 S CB -0.230 62.988 63.200 0.030 0.000 0.844 369 S HN 0.473 nan 8.310 nan 0.000 0.459 370 A N 1.554 124.281 122.820 -0.154 0.000 1.978 370 A HA 0.083 4.404 4.320 0.001 0.000 0.220 370 A C 2.324 179.858 177.584 -0.083 0.000 1.170 370 A CA 1.669 53.642 52.037 -0.106 0.000 0.636 370 A CB -0.973 17.909 19.000 -0.197 0.000 0.810 370 A HN 0.526 nan 8.150 nan 0.000 0.448 371 A N -0.730 122.004 122.820 -0.144 0.000 1.969 371 A HA 0.069 4.389 4.320 0.001 0.000 0.218 371 A C 2.188 179.733 177.584 -0.065 0.000 1.169 371 A CA 1.686 53.658 52.037 -0.108 0.000 0.635 371 A CB -0.629 18.273 19.000 -0.163 0.000 0.810 371 A HN 0.353 nan 8.150 nan 0.000 0.445 372 V N -0.408 119.476 119.914 -0.049 0.000 2.346 372 V HA -0.141 3.979 4.120 0.001 0.000 0.244 372 V C 3.045 179.174 176.094 0.059 0.000 1.037 372 V CA 1.669 63.985 62.300 0.027 0.000 1.029 372 V CB -1.164 30.707 31.823 0.081 0.000 0.663 372 V HN 0.575 nan 8.190 nan 0.000 0.454 373 A N 1.556 124.396 122.820 0.034 0.000 1.908 373 A HA -0.272 4.049 4.320 0.001 0.000 0.218 373 A C 2.132 179.745 177.584 0.049 0.000 1.181 373 A CA 2.407 54.466 52.037 0.037 0.000 0.627 373 A CB -0.492 18.544 19.000 0.060 0.000 0.818 373 A HN 0.689 nan 8.150 nan 0.000 0.445 374 K N 0.509 120.933 120.400 0.040 0.000 2.209 374 K HA -0.138 4.182 4.320 0.001 0.000 0.204 374 K C 1.694 178.319 176.600 0.042 0.000 1.048 374 K CA 1.793 58.101 56.287 0.035 0.000 0.940 374 K CB -0.608 31.907 32.500 0.025 0.000 0.729 374 K HN 0.650 nan 8.250 nan 0.000 0.451 375 Q N 0.367 120.214 119.800 0.079 0.000 2.079 375 Q HA 0.045 4.385 4.340 0.001 0.000 0.200 375 Q C 2.307 178.419 176.000 0.186 0.000 0.974 375 Q CA 1.364 57.250 55.803 0.139 0.000 0.840 375 Q CB -0.298 28.563 28.738 0.205 0.000 0.898 375 Q HN 0.500 nan 8.270 nan 0.000 0.430 376 A N 1.158 124.094 122.820 0.193 0.000 1.877 376 A HA -0.146 4.174 4.320 0.001 0.000 0.216 376 A C 2.103 179.743 177.584 0.093 0.000 1.186 376 A CA 1.016 53.181 52.037 0.213 0.000 0.620 376 A CB -0.704 18.384 19.000 0.147 0.000 0.822 376 A HN 0.270 nan 8.150 nan 0.000 0.443 377 L N -0.715 120.535 121.223 0.046 0.000 2.042 377 L HA -0.223 4.118 4.340 0.001 0.000 0.210 377 L C 3.003 179.837 176.870 -0.061 0.000 1.076 377 L CA 1.102 55.944 54.840 0.003 0.000 0.749 377 L CB -0.521 41.543 42.059 0.009 0.000 0.893 377 L HN 0.452 nan 8.230 nan 0.000 0.432 378 A N -1.076 121.681 122.820 -0.104 0.000 2.125 378 A HA -0.202 4.118 4.320 0.001 0.000 0.219 378 A C 1.369 178.624 177.584 -0.549 0.000 1.156 378 A CA 1.334 53.213 52.037 -0.263 0.000 0.671 378 A CB -0.742 18.102 19.000 -0.261 0.000 0.794 378 A HN 0.536 nan 8.150 nan 0.000 0.459 379 H N -1.741 117.153 119.070 -0.293 0.000 2.505 379 H HA 0.400 4.956 4.556 0.000 0.000 0.286 379 H C 1.289 176.525 175.328 -0.154 0.000 1.072 379 H CA 0.257 56.092 56.048 -0.355 0.000 1.141 379 H CB 0.256 29.496 29.762 -0.871 0.000 1.550 379 H HN 0.492 nan 8.280 nan 0.000 0.547 380 G N 1.063 109.835 108.800 -0.047 0.000 2.221 380 G HA2 -0.271 3.689 3.960 0.001 0.000 0.265 380 G HA3 -0.271 3.689 3.960 0.001 0.000 0.265 380 G C -0.168 174.752 174.900 0.033 0.000 1.041 380 G CA 0.244 45.340 45.100 -0.007 0.000 0.807 380 G HN 0.309 nan 8.290 nan 0.000 0.502 381 L N -1.287 119.970 121.223 0.056 0.000 2.313 381 L HA 0.815 5.155 4.340 0.001 0.000 0.268 381 L C 0.546 177.438 176.870 0.037 0.000 1.010 381 L CA -1.114 53.765 54.840 0.066 0.000 0.814 381 L CB 1.779 43.912 42.059 0.123 0.000 1.304 381 L HN 0.155 nan 8.230 nan 0.000 0.441 382 K N -0.419 119.992 120.400 0.017 0.000 2.495 382 K HA 0.476 4.796 4.320 0.001 0.000 0.268 382 K C -1.454 175.125 176.600 -0.034 0.000 1.008 382 K CA -0.869 55.420 56.287 0.002 0.000 0.882 382 K CB 1.680 34.190 32.500 0.017 0.000 1.443 382 K HN 0.414 nan 8.250 nan 0.000 0.447 383 C N 2.207 121.471 119.300 -0.061 0.000 2.657 383 C HA 0.045 4.506 4.460 0.001 0.000 0.420 383 C C 2.016 176.973 174.990 -0.054 0.000 1.323 383 C CA -0.022 58.931 59.018 -0.108 0.000 1.894 383 C CB -0.214 27.443 27.740 -0.139 0.000 2.681 383 C HN 0.839 nan 8.230 nan 0.000 0.613 384 K N 1.248 121.603 120.400 -0.076 0.000 2.128 384 K HA 0.000 4.320 4.320 0.001 0.000 0.202 384 K C 0.923 177.510 176.600 -0.022 0.000 1.050 384 K CA 0.738 56.996 56.287 -0.048 0.000 0.966 384 K CB 0.096 32.552 32.500 -0.073 0.000 0.759 384 K HN 0.713 nan 8.250 nan 0.000 0.454 385 S N 1.267 116.951 115.700 -0.027 0.000 2.614 385 S HA 0.061 4.532 4.470 0.001 0.000 0.265 385 S C -0.046 174.598 174.600 0.073 0.000 1.303 385 S CA -0.480 57.733 58.200 0.023 0.000 1.000 385 S CB 1.353 64.566 63.200 0.022 0.000 0.935 385 S HN 0.256 nan 8.310 nan 0.000 0.551 386 Q N 0.281 120.149 119.800 0.113 0.000 2.392 386 Q HA 0.265 4.605 4.340 0.001 0.000 0.262 386 Q C -1.548 174.600 176.000 0.247 0.000 1.003 386 Q CA 0.158 56.057 55.803 0.160 0.000 0.888 386 Q CB 0.341 29.175 28.738 0.160 0.000 1.260 386 Q HN 0.534 nan 8.270 nan 0.000 0.435 387 F N 2.847 122.813 119.950 0.027 0.000 2.579 387 F HA 0.363 4.891 4.527 0.001 0.000 0.325 387 F C -1.024 174.771 175.800 -0.009 0.000 1.162 387 F CA -0.488 57.514 58.000 0.002 0.000 0.946 387 F CB 1.568 40.569 39.000 0.002 0.000 1.211 387 F HN 0.535 nan 8.300 nan 0.000 0.447 388 T N 3.767 118.129 114.554 -0.320 0.000 2.912 388 T HA 0.844 5.194 4.350 0.001 0.000 0.288 388 T C -0.802 173.600 174.700 -0.496 0.000 1.030 388 T CA -0.663 61.221 62.100 -0.360 0.000 1.020 388 T CB 1.960 70.680 68.868 -0.248 0.000 1.056 388 T HN 0.398 nan 8.240 nan 0.000 0.480 389 I N 1.790 122.136 120.570 -0.375 0.000 2.439 389 I HA 0.347 4.518 4.170 0.001 0.000 0.285 389 I C -0.102 175.916 176.117 -0.165 0.000 1.021 389 I CA -0.471 60.650 61.300 -0.299 0.000 1.091 389 I CB 2.429 40.250 38.000 -0.299 0.000 1.242 389 I HN 0.712 nan 8.210 nan 0.000 0.439 390 T N 7.322 121.810 114.554 -0.111 0.000 2.853 390 T HA 0.378 4.728 4.350 0.001 0.000 0.317 390 T C -2.515 172.150 174.700 -0.058 0.000 1.059 390 T CA -1.365 60.684 62.100 -0.084 0.000 0.954 390 T CB 0.701 69.516 68.868 -0.088 0.000 0.994 390 T HN 0.174 nan 8.240 nan 0.000 0.479 391 P HA 0.167 nan 4.420 nan 0.000 0.268 391 P C 1.127 178.410 177.300 -0.028 0.000 1.204 391 P CA -0.116 62.977 63.100 -0.013 0.000 0.768 391 P CB 0.568 32.273 31.700 0.008 0.000 0.842 392 G N 1.598 110.385 108.800 -0.021 0.000 2.484 392 G HA2 0.034 3.994 3.960 0.001 0.000 0.218 392 G HA3 0.034 3.994 3.960 0.001 0.000 0.218 392 G C 0.169 175.032 174.900 -0.062 0.000 1.130 392 G CA 0.550 45.620 45.100 -0.050 0.000 0.784 392 G HN 0.668 nan 8.290 nan 0.000 0.543 393 S N -1.846 113.832 115.700 -0.036 0.000 2.615 393 S HA 0.421 4.891 4.470 0.001 0.000 0.269 393 S C 0.287 174.885 174.600 -0.003 0.000 1.161 393 S CA -0.179 57.993 58.200 -0.046 0.000 0.817 393 S CB 1.913 65.062 63.200 -0.085 0.000 1.131 393 S HN -0.068 nan 8.310 nan 0.000 0.467 394 E N 0.934 121.143 120.200 0.015 0.000 2.110 394 E HA -0.172 4.179 4.350 0.001 0.000 0.193 394 E C 1.937 178.569 176.600 0.054 0.000 0.988 394 E CA 2.146 58.572 56.400 0.043 0.000 0.804 394 E CB -0.333 29.408 29.700 0.068 0.000 0.745 394 E HN 0.708 nan 8.360 nan 0.000 0.458 395 Q N -0.084 119.738 119.800 0.037 0.000 2.061 395 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 395 Q C 2.245 178.309 176.000 0.106 0.000 0.984 395 Q CA 2.136 57.964 55.803 0.041 0.000 0.846 395 Q CB -0.262 28.432 28.738 -0.073 0.000 0.902 395 Q HN 0.434 nan 8.270 nan 0.000 0.421 396 I N 0.276 120.902 120.570 0.094 0.000 2.226 396 I HA -0.295 3.875 4.170 0.001 0.000 0.245 396 I C 2.809 179.030 176.117 0.174 0.000 1.100 396 I CA 1.248 62.669 61.300 0.202 0.000 1.374 396 I CB -0.352 37.744 38.000 0.160 0.000 1.057 396 I HN 0.257 nan 8.210 nan 0.000 0.413 397 R N 1.120 121.681 120.500 0.102 0.000 2.083 397 R HA -0.217 4.124 4.340 0.001 0.000 0.237 397 R C 2.321 178.674 176.300 0.088 0.000 1.137 397 R CA 1.860 58.008 56.100 0.080 0.000 0.951 397 R CB -0.304 30.024 30.300 0.047 0.000 0.851 397 R HN 0.375 nan 8.270 nan 0.000 0.434 398 A N -0.179 122.695 122.820 0.090 0.000 1.930 398 A HA -0.105 4.216 4.320 0.001 0.000 0.217 398 A C 2.137 179.778 177.584 0.095 0.000 1.175 398 A CA 1.924 54.009 52.037 0.080 0.000 0.627 398 A CB -0.638 18.408 19.000 0.077 0.000 0.815 398 A HN 0.469 nan 8.150 nan 0.000 0.443 399 T N 0.754 115.400 114.554 0.154 0.000 2.857 399 T HA -0.059 4.291 4.350 0.001 0.000 0.266 399 T C 1.799 176.595 174.700 0.159 0.000 1.048 399 T CA 1.431 63.633 62.100 0.170 0.000 1.139 399 T CB -0.502 68.537 68.868 0.284 0.000 0.874 399 T HN 0.710 nan 8.240 nan 0.000 0.455 400 I N -0.161 120.518 120.570 0.182 0.000 2.761 400 I HA 0.131 4.302 4.170 0.001 0.000 0.261 400 I C 2.330 178.456 176.117 0.016 0.000 1.198 400 I CA 1.167 62.525 61.300 0.097 0.000 1.482 400 I CB -0.280 37.849 38.000 0.215 0.000 1.100 400 I HN 0.000 nan 8.210 nan 0.000 0.445 401 E N 1.989 122.212 120.200 0.040 0.000 2.028 401 E HA -0.193 4.157 4.350 0.001 0.000 0.191 401 E C 2.412 179.006 176.600 -0.011 0.000 0.988 401 E CA 1.224 57.636 56.400 0.020 0.000 0.799 401 E CB -0.278 29.442 29.700 0.033 0.000 0.755 401 E HN 0.326 nan 8.360 nan 0.000 0.447 402 R N 0.433 120.926 120.500 -0.010 0.000 2.081 402 R HA -0.130 4.210 4.340 0.001 0.000 0.235 402 R C 0.577 176.828 176.300 -0.081 0.000 1.131 402 R CA 1.777 57.859 56.100 -0.030 0.000 0.960 402 R CB -0.316 29.976 30.300 -0.014 0.000 0.856 402 R HN 0.161 nan 8.270 nan 0.000 0.436 403 D N -1.305 119.005 120.400 -0.151 0.000 2.328 403 D HA 0.122 4.762 4.640 0.001 0.000 0.226 403 D C 0.912 177.002 176.300 -0.350 0.000 1.066 403 D CA 0.911 54.747 54.000 -0.273 0.000 0.861 403 D CB 0.520 41.098 40.800 -0.371 0.000 0.912 403 D HN 0.559 nan 8.370 nan 0.000 0.521 404 G N 0.205 108.880 108.800 -0.208 0.000 2.175 404 G HA2 -0.362 3.599 3.960 0.001 0.000 0.244 404 G HA3 -0.362 3.599 3.960 0.001 0.000 0.244 404 G C 0.803 175.711 174.900 0.013 0.000 0.982 404 G CA 0.125 45.170 45.100 -0.090 0.000 0.641 404 G HN 0.283 nan 8.290 nan 0.000 0.527 405 Y N 0.312 120.604 120.300 -0.012 0.000 2.337 405 Y HA 0.414 4.964 4.550 0.000 0.000 0.293 405 Y C 2.995 178.890 175.900 -0.008 0.000 1.123 405 Y CA 1.064 59.146 58.100 -0.029 0.000 1.201 405 Y CB -0.974 37.438 38.460 -0.081 0.000 1.011 405 Y HN 0.399 nan 8.280 nan 0.000 0.545 406 A N -0.149 122.758 122.820 0.144 0.000 1.898 406 A HA -0.231 4.089 4.320 0.001 0.000 0.216 406 A C 2.168 179.793 177.584 0.070 0.000 1.181 406 A CA 1.781 53.870 52.037 0.086 0.000 0.620 406 A CB -0.620 18.413 19.000 0.057 0.000 0.819 406 A HN 0.344 nan 8.150 nan 0.000 0.442 407 Q N -0.072 119.765 119.800 0.062 0.000 2.124 407 Q HA -0.098 4.243 4.340 0.001 0.000 0.202 407 Q C 1.909 177.950 176.000 0.067 0.000 0.977 407 Q CA 1.919 57.754 55.803 0.053 0.000 0.850 407 Q CB -0.651 28.110 28.738 0.038 0.000 0.901 407 Q HN 0.361 nan 8.270 nan 0.000 0.429 408 V N 0.224 120.190 119.914 0.086 0.000 2.332 408 V HA -0.269 3.851 4.120 0.001 0.000 0.248 408 V C 2.227 178.385 176.094 0.107 0.000 1.055 408 V CA 1.768 64.121 62.300 0.089 0.000 1.038 408 V CB -0.546 31.338 31.823 0.101 0.000 0.651 408 V HN 0.371 nan 8.190 nan 0.000 0.450 409 L N -0.861 120.436 121.223 0.123 0.000 2.093 409 L HA -0.132 4.208 4.340 0.001 0.000 0.208 409 L C 2.744 179.704 176.870 0.150 0.000 1.085 409 L CA 1.446 56.389 54.840 0.171 0.000 0.755 409 L CB -0.531 41.595 42.059 0.112 0.000 0.904 409 L HN 0.226 nan 8.230 nan 0.000 0.435 410 R N -0.090 120.464 120.500 0.090 0.000 2.075 410 R HA -0.132 4.208 4.340 0.001 0.000 0.232 410 R C 1.877 178.228 176.300 0.084 0.000 1.126 410 R CA 1.378 57.523 56.100 0.074 0.000 0.963 410 R CB -0.250 30.079 30.300 0.049 0.000 0.858 410 R HN 0.305 nan 8.270 nan 0.000 0.435 411 D N 0.120 120.565 120.400 0.075 0.000 2.178 411 D HA -0.115 4.525 4.640 0.001 0.000 0.201 411 D C 1.769 178.111 176.300 0.070 0.000 0.980 411 D CA 1.224 55.261 54.000 0.062 0.000 0.842 411 D CB -0.021 40.808 40.800 0.048 0.000 0.948 411 D HN 0.162 nan 8.370 nan 0.000 0.472 412 V N -2.666 117.304 119.914 0.095 0.000 3.444 412 V HA 0.319 4.439 4.120 0.001 0.000 0.271 412 V C 1.543 177.699 176.094 0.104 0.000 1.188 412 V CA 0.790 63.137 62.300 0.079 0.000 1.168 412 V CB -0.481 31.369 31.823 0.045 0.000 0.810 412 V HN 0.248 nan 8.190 nan 0.000 0.500 413 G N -1.007 107.879 108.800 0.143 0.000 2.159 413 G HA2 -0.017 3.944 3.960 0.001 0.000 0.170 413 G HA3 -0.017 3.944 3.960 0.001 0.000 0.170 413 G C 0.346 175.379 174.900 0.221 0.000 1.007 413 G CA -0.345 44.844 45.100 0.148 0.000 0.672 413 G HN 1.174 nan 8.290 nan 0.000 0.507 414 G N -0.486 108.475 108.800 0.269 0.000 2.476 414 G HA2 0.676 4.636 3.960 0.001 0.000 0.286 414 G HA3 0.676 4.636 3.960 0.001 0.000 0.286 414 G C -0.503 174.398 174.900 0.001 0.000 1.177 414 G CA -0.422 44.759 45.100 0.134 0.000 0.870 414 G HN 0.950 nan 8.290 nan 0.000 0.528 415 I N 1.039 121.564 120.570 -0.074 0.000 2.406 415 I HA 0.451 4.621 4.170 0.001 0.000 0.290 415 I C -0.360 175.695 176.117 -0.103 0.000 0.999 415 I CA -0.717 60.553 61.300 -0.050 0.000 1.124 415 I CB 2.060 40.054 38.000 -0.010 0.000 1.289 415 I HN 0.223 nan 8.210 nan 0.000 0.441 416 V N 8.240 128.112 119.914 -0.070 0.000 2.432 416 V HA 0.334 4.454 4.120 0.001 0.000 0.271 416 V C 0.427 176.486 176.094 -0.057 0.000 1.046 416 V CA -0.441 61.814 62.300 -0.075 0.000 0.945 416 V CB 0.718 32.516 31.823 -0.041 0.000 0.992 416 V HN 0.586 nan 8.190 nan 0.000 0.471 417 L N 3.560 124.737 121.223 -0.075 0.000 2.400 417 L HA 0.717 5.057 4.340 0.001 0.000 0.264 417 L C 0.955 177.796 176.870 -0.048 0.000 1.061 417 L CA -0.624 54.178 54.840 -0.063 0.000 0.799 417 L CB 0.864 42.864 42.059 -0.097 0.000 1.240 417 L HN 0.705 nan 8.230 nan 0.000 0.461 418 A N 0.575 123.374 122.820 -0.036 0.000 2.429 418 A HA 0.092 4.412 4.320 0.001 0.000 0.242 418 A C -0.028 177.530 177.584 -0.044 0.000 1.088 418 A CA -0.364 51.657 52.037 -0.027 0.000 0.784 418 A CB -0.147 18.845 19.000 -0.014 0.000 1.038 418 A HN 0.767 nan 8.150 nan 0.000 0.501 419 N N 0.978 119.656 118.700 -0.036 0.000 2.819 419 N HA 0.442 5.182 4.740 0.001 0.000 0.284 419 N C -0.299 175.171 175.510 -0.066 0.000 1.196 419 N CA 0.874 53.895 53.050 -0.049 0.000 1.114 419 N CB 0.113 38.581 38.487 -0.031 0.000 1.437 419 N HN 0.814 nan 8.380 nan 0.000 0.518 420 A N -0.411 122.354 122.820 -0.093 0.000 2.599 420 A HA 0.363 4.684 4.320 0.001 0.000 0.290 420 A C 0.801 178.276 177.584 -0.182 0.000 1.101 420 A CA -0.717 51.252 52.037 -0.114 0.000 0.674 420 A CB 0.254 19.213 19.000 -0.068 0.000 1.277 420 A HN 0.434 nan 8.150 nan 0.000 0.419 421 C N 0.092 119.238 119.300 -0.257 0.000 2.413 421 C HA 0.306 4.767 4.460 0.001 0.000 0.276 421 C C 2.446 177.261 174.990 -0.292 0.000 1.236 421 C CA 1.518 60.324 59.018 -0.353 0.000 1.735 421 C CB -1.671 25.743 27.740 -0.543 0.000 2.031 421 C HN 2.185 nan 8.230 nan 0.000 0.474 422 G N 1.099 109.783 108.800 -0.194 0.000 2.622 422 G HA2 -0.317 3.644 3.960 0.001 0.000 0.307 422 G HA3 -0.317 3.644 3.960 0.001 0.000 0.307 422 G C -1.292 173.530 174.900 -0.130 0.000 1.226 422 G CA 0.668 45.688 45.100 -0.134 0.000 0.997 422 G HN 0.296 nan 8.290 nan 0.000 0.551 423 P HA -0.019 nan 4.420 nan 0.000 0.221 423 P C 2.113 179.391 177.300 -0.037 0.000 1.145 423 P CA 1.688 64.691 63.100 -0.162 0.000 0.795 423 P CB -0.188 31.142 31.700 -0.617 0.000 0.775 424 C N -0.860 118.263 119.300 -0.296 0.000 2.411 424 C HA -0.095 4.366 4.460 0.001 0.000 0.279 424 C C 1.619 176.527 174.990 -0.136 0.000 1.288 424 C CA 0.775 59.548 59.018 -0.407 0.000 1.764 424 C CB -1.633 25.603 27.740 -0.840 0.000 1.974 424 C HN 0.135 nan 8.230 nan 0.000 0.498 425 I N -0.646 119.877 120.570 -0.078 0.000 3.654 425 I HA 0.448 4.618 4.170 0.001 0.000 0.337 425 I C 1.244 177.414 176.117 0.088 0.000 1.568 425 I CA 0.686 62.000 61.300 0.024 0.000 1.115 425 I CB -0.558 37.473 38.000 0.051 0.000 1.300 425 I HN 0.189 nan 8.210 nan 0.000 0.471 426 G N 0.696 109.576 108.800 0.133 0.000 2.143 426 G HA2 -0.239 3.722 3.960 0.001 0.000 0.248 426 G HA3 -0.239 3.722 3.960 0.001 0.000 0.248 426 G C 0.287 175.296 174.900 0.182 0.000 0.991 426 G CA -0.267 44.950 45.100 0.195 0.000 0.689 426 G HN 0.409 nan 8.290 nan 0.000 0.522 427 Q N -0.841 119.044 119.800 0.141 0.000 2.835 427 Q HA 0.384 4.725 4.340 0.001 0.000 0.235 427 Q C -0.759 175.363 176.000 0.204 0.000 1.313 427 Q CA -0.236 55.638 55.803 0.119 0.000 1.053 427 Q CB 0.418 29.186 28.738 0.049 0.000 1.443 427 Q HN 0.502 nan 8.270 nan 0.000 0.576 428 W N 2.180 123.484 121.300 0.007 0.000 3.326 428 W HA 0.183 4.844 4.660 0.000 0.000 0.333 428 W C -1.523 175.003 176.519 0.012 0.000 1.108 428 W CA -1.495 55.858 57.345 0.015 0.000 1.245 428 W CB 1.115 30.593 29.460 0.030 0.000 1.331 428 W HN 0.196 nan 8.180 nan 0.000 0.464 429 D N 4.407 124.948 120.400 0.234 0.000 2.522 429 D HA 0.167 4.807 4.640 0.001 0.000 0.218 429 D C -0.064 176.156 176.300 -0.134 0.000 1.149 429 D CA -0.159 53.853 54.000 0.020 0.000 0.981 429 D CB 0.194 41.026 40.800 0.053 0.000 1.041 429 D HN 0.276 nan 8.370 nan 0.000 0.518 430 R N 2.276 122.500 120.500 -0.460 0.000 2.267 430 R HA 0.235 4.575 4.340 0.001 0.000 0.319 430 R C 0.369 176.472 176.300 -0.328 0.000 1.067 430 R CA 0.021 55.708 56.100 -0.688 0.000 0.936 430 R CB 0.529 30.089 30.300 -1.233 0.000 1.006 430 R HN 0.025 nan 8.270 nan 0.000 0.452 431 K N 3.037 123.319 120.400 -0.197 0.000 2.481 431 K HA 0.010 4.330 4.320 0.001 0.000 0.210 431 K C 0.042 176.594 176.600 -0.079 0.000 1.161 431 K CA 0.293 56.514 56.287 -0.111 0.000 1.023 431 K CB 0.924 33.389 32.500 -0.059 0.000 0.971 431 K HN 0.795 nan 8.250 nan 0.000 0.577 432 D N 1.184 121.534 120.400 -0.083 0.000 2.348 432 D HA -0.056 4.584 4.640 0.001 0.000 0.216 432 D C 0.681 176.956 176.300 -0.041 0.000 0.970 432 D CA 0.256 54.232 54.000 -0.041 0.000 0.889 432 D CB -0.076 40.718 40.800 -0.010 0.000 0.912 432 D HN 0.176 nan 8.370 nan 0.000 0.524 433 I N -2.231 118.300 120.570 -0.066 0.000 2.828 433 I HA 0.414 4.584 4.170 0.001 0.000 0.302 433 I C -0.349 175.742 176.117 -0.044 0.000 1.101 433 I CA -1.637 59.638 61.300 -0.042 0.000 1.031 433 I CB 1.916 39.895 38.000 -0.035 0.000 1.231 433 I HN -0.223 nan 8.210 nan 0.000 0.427 434 K N 1.820 122.207 120.400 -0.022 0.000 2.098 434 K HA 0.544 4.864 4.320 0.001 0.000 0.244 434 K C -0.364 176.228 176.600 -0.014 0.000 1.014 434 K CA -0.874 55.401 56.287 -0.019 0.000 0.917 434 K CB 0.772 33.268 32.500 -0.006 0.000 1.072 434 K HN 0.484 nan 8.250 nan 0.000 0.477 435 K N -0.195 120.198 120.400 -0.011 0.000 2.326 435 K HA 0.183 4.503 4.320 0.001 0.000 0.275 435 K C 0.748 177.360 176.600 0.019 0.000 1.018 435 K CA 1.542 57.830 56.287 0.002 0.000 0.962 435 K CB 0.423 32.925 32.500 0.004 0.000 0.953 435 K HN 0.854 nan 8.250 nan 0.000 0.475 436 G N 1.937 110.759 108.800 0.036 0.000 2.179 436 G HA2 -0.306 3.654 3.960 0.001 0.000 0.260 436 G HA3 -0.306 3.654 3.960 0.001 0.000 0.260 436 G C -0.073 174.861 174.900 0.058 0.000 0.977 436 G CA 0.409 45.539 45.100 0.049 0.000 0.641 436 G HN 0.619 nan 8.290 nan 0.000 0.533 437 E N 0.949 121.178 120.200 0.049 0.000 2.223 437 E HA 0.404 4.754 4.350 0.001 0.000 0.282 437 E C 0.444 177.092 176.600 0.080 0.000 1.046 437 E CA -0.648 55.783 56.400 0.050 0.000 0.857 437 E CB 0.300 30.017 29.700 0.028 0.000 1.055 437 E HN 0.250 nan 8.360 nan 0.000 0.409 438 K N 4.308 124.763 120.400 0.091 0.000 2.416 438 K HA 0.020 4.340 4.320 0.001 0.000 0.283 438 K C -0.387 176.247 176.600 0.058 0.000 1.037 438 K CA 0.273 56.629 56.287 0.115 0.000 0.995 438 K CB 0.215 32.769 32.500 0.089 0.000 0.938 438 K HN 0.613 nan 8.250 nan 0.000 0.475 439 N N 1.230 119.976 118.700 0.076 0.000 2.927 439 N HA 0.192 4.933 4.740 0.001 0.000 0.248 439 N C -1.574 173.992 175.510 0.092 0.000 1.443 439 N CA -0.746 52.335 53.050 0.051 0.000 0.870 439 N CB 1.734 40.258 38.487 0.061 0.000 1.444 439 N HN 0.166 nan 8.380 nan 0.000 0.519 440 T N 1.139 115.756 114.554 0.105 0.000 2.812 440 T HA 0.592 4.942 4.350 0.001 0.000 0.282 440 T C -0.080 174.720 174.700 0.167 0.000 0.990 440 T CA -0.672 61.542 62.100 0.190 0.000 0.960 440 T CB 0.395 69.392 68.868 0.216 0.000 0.948 440 T HN 0.503 nan 8.240 nan 0.000 0.438 441 I N 1.090 121.770 120.570 0.183 0.000 2.569 441 I HA 0.901 5.071 4.170 0.001 0.000 0.296 441 I C -0.500 175.707 176.117 0.150 0.000 1.028 441 I CA -1.440 59.953 61.300 0.154 0.000 1.082 441 I CB 1.997 40.102 38.000 0.176 0.000 1.264 441 I HN 0.380 nan 8.210 nan 0.000 0.429 442 V N 1.775 121.743 119.914 0.090 0.000 2.555 442 V HA 0.868 4.988 4.120 0.001 0.000 0.302 442 V C 0.056 176.106 176.094 -0.073 0.000 1.038 442 V CA 0.022 62.360 62.300 0.063 0.000 0.887 442 V CB 1.099 32.956 31.823 0.055 0.000 0.991 442 V HN 1.033 nan 8.190 nan 0.000 0.434 443 T N 0.542 114.999 114.554 -0.162 0.000 2.907 443 T HA 0.609 4.959 4.350 0.001 0.000 0.290 443 T C 0.406 174.943 174.700 -0.272 0.000 1.066 443 T CA 0.019 61.862 62.100 -0.428 0.000 1.012 443 T CB 1.764 70.127 68.868 -0.842 0.000 1.184 443 T HN 1.529 nan 8.240 nan 0.000 0.522 444 S N 0.494 116.026 115.700 -0.280 0.000 2.506 444 S HA 0.344 4.814 4.470 0.001 0.000 0.245 444 S C -0.255 174.403 174.600 0.096 0.000 1.088 444 S CA -0.738 57.431 58.200 -0.051 0.000 1.099 444 S CB -0.891 62.308 63.200 -0.001 0.000 0.805 444 S HN 0.613 nan 8.310 nan 0.000 0.461 445 Y N 3.008 123.261 120.300 -0.079 0.000 2.896 445 Y HA 0.447 4.998 4.550 0.001 0.000 0.444 445 Y C 1.696 177.514 175.900 -0.136 0.000 1.328 445 Y CA -0.964 57.062 58.100 -0.122 0.000 1.741 445 Y CB -0.381 38.002 38.460 -0.128 0.000 1.633 445 Y HN 0.509 nan 8.280 nan 0.000 0.748 446 N N -1.102 117.608 118.700 0.017 0.000 2.919 446 N HA 0.141 4.882 4.740 0.001 0.000 0.263 446 N C -0.501 174.946 175.510 -0.104 0.000 0.913 446 N CA -0.266 52.739 53.050 -0.074 0.000 1.085 446 N CB 0.304 38.671 38.487 -0.200 0.000 1.553 446 N HN 0.146 nan 8.380 nan 0.000 0.932 447 R N 0.820 121.220 120.500 -0.167 0.000 2.490 447 R HA 0.376 4.716 4.340 0.001 0.000 0.278 447 R C -0.561 175.561 176.300 -0.297 0.000 1.069 447 R CA -0.099 55.764 56.100 -0.395 0.000 1.080 447 R CB 0.368 30.289 30.300 -0.631 0.000 1.030 447 R HN 0.535 nan 8.270 nan 0.000 0.491 448 N N 1.280 119.767 118.700 -0.354 0.000 2.475 448 N HA 0.048 4.788 4.740 0.001 0.000 0.272 448 N C -1.019 174.456 175.510 -0.058 0.000 1.482 448 N CA -0.320 52.614 53.050 -0.194 0.000 0.863 448 N CB 0.185 38.533 38.487 -0.232 0.000 1.400 448 N HN 0.176 nan 8.380 nan 0.000 0.489 449 F N 1.486 121.444 119.950 0.013 0.000 2.496 449 F HA 0.233 4.760 4.527 0.001 0.000 0.344 449 F C 1.437 177.291 175.800 0.090 0.000 1.155 449 F CA -0.630 57.415 58.000 0.075 0.000 1.302 449 F CB -0.070 38.984 39.000 0.090 0.000 1.159 449 F HN -0.139 nan 8.300 nan 0.000 0.595 450 T N 2.301 117.090 114.554 0.393 0.000 2.709 450 T HA 0.294 4.644 4.350 0.001 0.000 0.269 450 T C 1.087 175.881 174.700 0.156 0.000 1.008 450 T CA 1.213 63.496 62.100 0.304 0.000 1.194 450 T CB -0.472 68.508 68.868 0.187 0.000 0.986 450 T HN 1.076 nan 8.240 nan 0.000 0.508 451 G N 3.318 112.212 108.800 0.157 0.000 2.153 451 G HA2 -0.342 3.618 3.960 0.001 0.000 0.252 451 G HA3 -0.342 3.618 3.960 0.001 0.000 0.252 451 G C 0.948 175.920 174.900 0.121 0.000 0.994 451 G CA 0.626 45.795 45.100 0.116 0.000 0.698 451 G HN 0.725 nan 8.290 nan 0.000 0.521 452 R N -0.080 120.501 120.500 0.135 0.000 2.119 452 R HA 0.032 4.373 4.340 0.001 0.000 0.222 452 R C 2.228 178.620 176.300 0.155 0.000 1.088 452 R CA 1.621 57.804 56.100 0.139 0.000 0.984 452 R CB -0.215 30.164 30.300 0.131 0.000 0.884 452 R HN 0.572 nan 8.270 nan 0.000 0.447 453 N N -0.126 118.685 118.700 0.185 0.000 2.395 453 N HA -0.075 4.665 4.740 0.001 0.000 0.175 453 N C -0.128 175.609 175.510 0.379 0.000 1.029 453 N CA 1.088 54.319 53.050 0.301 0.000 0.897 453 N CB 0.504 39.211 38.487 0.368 0.000 0.991 453 N HN 0.302 nan 8.380 nan 0.000 0.441 454 D N -1.586 118.934 120.400 0.200 0.000 2.583 454 D HA 0.238 4.879 4.640 0.001 0.000 0.282 454 D C 0.420 176.736 176.300 0.027 0.000 1.485 454 D CA 0.055 54.090 54.000 0.059 0.000 0.834 454 D CB -0.477 40.237 40.800 -0.144 0.000 1.258 454 D HN 0.007 nan 8.370 nan 0.000 0.470 455 A N 0.313 123.179 122.820 0.077 0.000 2.910 455 A HA -0.314 4.006 4.320 0.001 0.000 0.267 455 A C 0.366 177.985 177.584 0.058 0.000 1.310 455 A CA 1.213 53.294 52.037 0.074 0.000 0.934 455 A CB -2.605 16.435 19.000 0.067 0.000 1.057 455 A HN 0.510 nan 8.150 nan 0.000 0.742 456 N N -0.153 118.579 118.700 0.053 0.000 2.457 456 N HA 0.437 5.178 4.740 0.001 0.000 0.250 456 N C -0.867 174.706 175.510 0.105 0.000 0.982 456 N CA -1.927 51.158 53.050 0.060 0.000 0.941 456 N CB 1.097 39.606 38.487 0.035 0.000 1.120 456 N HN 0.155 nan 8.380 nan 0.000 0.505 457 P HA -0.137 nan 4.420 nan 0.000 0.220 457 P C 0.065 177.492 177.300 0.212 0.000 1.144 457 P CA 1.183 64.365 63.100 0.137 0.000 0.800 457 P CB 0.516 32.257 31.700 0.068 0.000 0.772 458 E N -0.664 119.659 120.200 0.204 0.000 2.479 458 E HA 0.075 4.425 4.350 0.001 0.000 0.193 458 E C 0.271 177.114 176.600 0.405 0.000 1.049 458 E CA 0.261 56.843 56.400 0.303 0.000 0.870 458 E CB -0.258 29.575 29.700 0.222 0.000 0.944 458 E HN 0.202 nan 8.360 nan 0.000 0.492 459 T N 1.587 116.300 114.554 0.265 0.000 2.794 459 T HA 0.160 4.511 4.350 0.001 0.000 0.296 459 T C -0.355 174.363 174.700 0.029 0.000 0.949 459 T CA -0.205 62.015 62.100 0.201 0.000 1.101 459 T CB 0.268 69.198 68.868 0.102 0.000 0.905 459 T HN 0.018 nan 8.240 nan 0.000 0.516 460 H N 1.745 120.717 119.070 -0.164 0.000 2.690 460 H HA 0.559 5.115 4.556 0.001 0.000 0.289 460 H C 0.021 175.043 175.328 -0.510 0.000 1.089 460 H CA -0.538 55.199 56.048 -0.518 0.000 1.299 460 H CB 0.435 30.076 29.762 -0.201 0.000 1.405 460 H HN 0.713 nan 8.280 nan 0.000 0.463 461 A N 4.391 126.810 122.820 -0.668 0.000 2.287 461 A HA 0.571 4.891 4.320 0.001 0.000 0.317 461 A C -1.008 176.220 177.584 -0.593 0.000 1.220 461 A CA -0.592 51.208 52.037 -0.395 0.000 0.835 461 A CB 0.126 18.983 19.000 -0.240 0.000 1.180 461 A HN 0.498 nan 8.150 nan 0.000 0.500 462 F N 1.924 121.779 119.950 -0.159 0.000 2.443 462 F HA 0.511 5.038 4.527 0.001 0.000 0.335 462 F C 0.482 176.223 175.800 -0.098 0.000 1.104 462 F CA -0.614 57.312 58.000 -0.123 0.000 1.013 462 F CB 2.221 41.175 39.000 -0.078 0.000 1.136 462 F HN 0.469 nan 8.300 nan 0.000 0.470 463 V N 0.094 120.044 119.914 0.060 0.000 2.513 463 V HA 0.892 5.012 4.120 0.001 0.000 0.299 463 V C -0.399 175.729 176.094 0.058 0.000 1.035 463 V CA -0.144 62.167 62.300 0.018 0.000 0.889 463 V CB 1.156 32.972 31.823 -0.012 0.000 0.988 463 V HN 0.882 nan 8.190 nan 0.000 0.440 464 T N 2.322 116.899 114.554 0.038 0.000 2.598 464 T HA 0.581 4.931 4.350 0.001 0.000 0.289 464 T C 0.028 174.751 174.700 0.038 0.000 1.056 464 T CA 0.250 62.382 62.100 0.053 0.000 1.088 464 T CB 1.626 70.530 68.868 0.059 0.000 1.519 464 T HN 1.557 nan 8.240 nan 0.000 0.488 465 S N 1.442 117.174 115.700 0.054 0.000 2.617 465 S HA 0.446 4.917 4.470 0.001 0.000 0.269 465 S C -1.677 172.957 174.600 0.057 0.000 1.292 465 S CA -0.910 57.322 58.200 0.052 0.000 1.010 465 S CB 1.118 64.362 63.200 0.073 0.000 0.944 465 S HN 0.623 nan 8.310 nan 0.000 0.536 466 P HA -0.175 nan 4.420 nan 0.000 0.216 466 P C 1.362 178.719 177.300 0.096 0.000 1.153 466 P CA 1.342 64.478 63.100 0.060 0.000 0.848 466 P CB -0.088 31.631 31.700 0.031 0.000 0.787 467 E N -0.072 120.189 120.200 0.101 0.000 2.150 467 E HA -0.128 4.222 4.350 0.001 0.000 0.193 467 E C 2.051 178.817 176.600 0.277 0.000 0.985 467 E CA 0.971 57.469 56.400 0.165 0.000 0.814 467 E CB -0.970 28.808 29.700 0.130 0.000 0.752 467 E HN 0.212 nan 8.360 nan 0.000 0.466 468 I N 1.477 122.175 120.570 0.213 0.000 2.406 468 I HA -0.138 4.032 4.170 0.001 0.000 0.249 468 I C 2.616 178.775 176.117 0.070 0.000 1.122 468 I CA 0.460 61.833 61.300 0.122 0.000 1.431 468 I CB -0.745 37.288 38.000 0.055 0.000 1.087 468 I HN -0.032 nan 8.210 nan 0.000 0.424 469 V N 1.052 121.009 119.914 0.071 0.000 2.287 469 V HA -0.300 3.821 4.120 0.001 0.000 0.248 469 V C 2.573 178.688 176.094 0.035 0.000 1.053 469 V CA 2.384 64.719 62.300 0.058 0.000 1.027 469 V CB -1.167 30.705 31.823 0.082 0.000 0.646 469 V HN 0.428 nan 8.190 nan 0.000 0.447 470 T N 0.392 114.979 114.554 0.056 0.000 2.708 470 T HA -0.185 4.165 4.350 0.001 0.000 0.266 470 T C 2.082 176.709 174.700 -0.121 0.000 1.037 470 T CA 1.696 63.727 62.100 -0.115 0.000 1.146 470 T CB -0.509 68.371 68.868 0.021 0.000 0.865 470 T HN 0.584 nan 8.240 nan 0.000 0.435 471 A N 1.370 124.214 122.820 0.039 0.000 1.883 471 A HA -0.013 4.307 4.320 0.001 0.000 0.217 471 A C 2.317 179.896 177.584 -0.008 0.000 1.186 471 A CA 1.311 53.393 52.037 0.074 0.000 0.624 471 A CB -0.917 18.169 19.000 0.143 0.000 0.822 471 A HN 0.488 nan 8.150 nan 0.000 0.444 472 L N -1.027 120.196 121.223 0.001 0.000 2.201 472 L HA -0.136 4.204 4.340 0.001 0.000 0.212 472 L C 2.962 179.765 176.870 -0.111 0.000 1.105 472 L CA 0.803 55.629 54.840 -0.025 0.000 0.775 472 L CB -0.482 41.569 42.059 -0.015 0.000 0.913 472 L HN 0.464 nan 8.230 nan 0.000 0.440 473 A N 0.197 122.921 122.820 -0.159 0.000 1.968 473 A HA -0.084 4.236 4.320 0.001 0.000 0.217 473 A C 2.189 179.629 177.584 -0.239 0.000 1.169 473 A CA 0.978 52.894 52.037 -0.202 0.000 0.638 473 A CB -0.381 18.407 19.000 -0.354 0.000 0.812 473 A HN 0.308 nan 8.150 nan 0.000 0.446 474 I N -0.325 120.078 120.570 -0.277 0.000 2.202 474 I HA -0.243 3.928 4.170 0.001 0.000 0.242 474 I C 2.907 178.851 176.117 -0.289 0.000 1.091 474 I CA 1.128 62.279 61.300 -0.247 0.000 1.368 474 I CB -0.215 37.659 38.000 -0.210 0.000 1.058 474 I HN 0.343 nan 8.210 nan 0.000 0.410 475 A N 0.017 122.586 122.820 -0.418 0.000 1.968 475 A HA 0.100 4.420 4.320 0.001 0.000 0.217 475 A C 2.052 179.475 177.584 -0.268 0.000 1.169 475 A CA 1.296 53.023 52.037 -0.517 0.000 0.638 475 A CB -0.775 17.684 19.000 -0.901 0.000 0.812 475 A HN 0.586 nan 8.150 nan 0.000 0.446 476 G N -2.371 106.321 108.800 -0.180 0.000 2.159 476 G HA2 -0.162 3.798 3.960 0.001 0.000 0.256 476 G HA3 -0.162 3.798 3.960 0.001 0.000 0.256 476 G C 0.383 175.241 174.900 -0.071 0.000 0.977 476 G CA 0.982 46.021 45.100 -0.102 0.000 0.652 476 G HN 1.397 nan 8.290 nan 0.000 0.531 477 T N -1.039 113.470 114.554 -0.074 0.000 2.923 477 T HA 0.566 4.917 4.350 0.001 0.000 0.311 477 T C 1.399 176.083 174.700 -0.027 0.000 1.183 477 T CA -0.223 61.852 62.100 -0.042 0.000 1.020 477 T CB 1.168 70.016 68.868 -0.033 0.000 1.165 477 T HN 0.216 nan 8.240 nan 0.000 0.482 478 L N 2.244 123.431 121.223 -0.059 0.000 2.201 478 L HA 0.116 4.456 4.340 0.001 0.000 0.212 478 L C 1.588 178.421 176.870 -0.063 0.000 1.105 478 L CA 1.051 55.829 54.840 -0.103 0.000 0.775 478 L CB -0.188 41.763 42.059 -0.180 0.000 0.913 478 L HN 0.556 nan 8.230 nan 0.000 0.440 479 K N 0.678 121.061 120.400 -0.028 0.000 3.000 479 K HA 0.085 4.406 4.320 0.001 0.000 0.265 479 K C -0.855 175.783 176.600 0.063 0.000 1.260 479 K CA -0.004 56.274 56.287 -0.015 0.000 1.209 479 K CB -0.357 32.135 32.500 -0.014 0.000 1.484 479 K HN -0.056 nan 8.250 nan 0.000 0.283 480 F N 1.368 121.234 119.950 -0.141 0.000 2.630 480 F HA 0.247 4.774 4.527 0.000 0.000 0.325 480 F C -1.458 174.222 175.800 -0.200 0.000 1.184 480 F CA -1.452 56.452 58.000 -0.160 0.000 1.011 480 F CB 1.280 40.182 39.000 -0.163 0.000 1.268 480 F HN -0.004 nan 8.300 nan 0.000 0.480 481 N N 7.984 126.137 118.700 -0.911 0.000 2.476 481 N HA 0.463 5.203 4.740 0.001 0.000 0.257 481 N C -2.390 172.407 175.510 -1.189 0.000 0.970 481 N CA -2.652 49.912 53.050 -0.810 0.000 0.938 481 N CB 2.255 40.444 38.487 -0.495 0.000 1.144 481 N HN 0.242 nan 8.380 nan 0.000 0.500 482 P HA -0.109 nan 4.420 nan 0.000 0.217 482 P C 0.462 177.250 177.300 -0.852 0.000 1.148 482 P CA 1.337 63.805 63.100 -1.052 0.000 0.828 482 P CB 0.443 31.370 31.700 -1.288 0.000 0.783 483 E N -1.269 118.439 120.200 -0.820 0.000 2.152 483 E HA -0.083 4.267 4.350 0.001 0.000 0.192 483 E C 1.612 178.000 176.600 -0.353 0.000 0.983 483 E CA 1.741 57.851 56.400 -0.483 0.000 0.818 483 E CB -0.311 29.170 29.700 -0.365 0.000 0.758 483 E HN 0.428 nan 8.360 nan 0.000 0.467 484 T N -1.553 112.753 114.554 -0.413 0.000 3.038 484 T HA 0.036 4.386 4.350 0.001 0.000 0.244 484 T C 0.591 175.100 174.700 -0.318 0.000 1.016 484 T CA -0.271 61.652 62.100 -0.296 0.000 1.098 484 T CB 0.127 68.865 68.868 -0.216 0.000 0.954 484 T HN -0.166 nan 8.240 nan 0.000 0.469 485 D N 1.009 121.147 120.400 -0.437 0.000 2.348 485 D HA 0.504 5.144 4.640 0.001 0.000 0.249 485 D C -1.010 175.137 176.300 -0.255 0.000 1.110 485 D CA -0.590 53.256 54.000 -0.256 0.000 0.967 485 D CB 0.574 41.204 40.800 -0.283 0.000 1.139 485 D HN 0.191 nan 8.370 nan 0.000 0.466 486 F N 0.386 120.327 119.950 -0.015 0.000 2.443 486 F HA 0.280 4.807 4.527 0.000 0.000 0.335 486 F C 0.125 175.853 175.800 -0.120 0.000 1.104 486 F CA -0.893 57.057 58.000 -0.083 0.000 1.013 486 F CB 0.920 39.874 39.000 -0.076 0.000 1.136 486 F HN -0.076 nan 8.300 nan 0.000 0.470 487 L N 1.596 122.652 121.223 -0.278 0.000 2.387 487 L HA 0.554 4.894 4.340 0.001 0.000 0.266 487 L C 0.087 176.869 176.870 -0.146 0.000 1.059 487 L CA -0.490 54.122 54.840 -0.380 0.000 0.801 487 L CB 1.685 43.267 42.059 -0.794 0.000 1.223 487 L HN 0.501 nan 8.230 nan 0.000 0.456 488 T N 0.961 115.531 114.554 0.027 0.000 2.770 488 T HA 0.586 4.937 4.350 0.001 0.000 0.283 488 T C 0.402 175.269 174.700 0.280 0.000 0.988 488 T CA -0.543 61.654 62.100 0.160 0.000 0.957 488 T CB 1.375 70.292 68.868 0.082 0.000 0.930 488 T HN 0.759 nan 8.240 nan 0.000 0.443 489 G N 1.364 110.393 108.800 0.382 0.000 2.611 489 G HA2 0.202 4.163 3.960 0.001 0.000 0.273 489 G HA3 0.202 4.163 3.960 0.001 0.000 0.273 489 G C 1.027 176.019 174.900 0.153 0.000 1.305 489 G CA -0.430 44.837 45.100 0.280 0.000 1.010 489 G HN 0.747 nan 8.290 nan 0.000 0.509 490 K N -0.390 120.072 120.400 0.103 0.000 2.063 490 K HA -0.145 4.175 4.320 0.001 0.000 0.208 490 K C 1.932 178.562 176.600 0.049 0.000 1.048 490 K CA 1.950 58.273 56.287 0.059 0.000 0.928 490 K CB -0.093 32.425 32.500 0.031 0.000 0.713 490 K HN 0.637 nan 8.250 nan 0.000 0.442 491 D N -1.432 118.999 120.400 0.052 0.000 2.378 491 D HA -0.058 4.582 4.640 0.001 0.000 0.227 491 D C 1.137 177.469 176.300 0.054 0.000 1.012 491 D CA 1.128 55.153 54.000 0.042 0.000 0.905 491 D CB 0.257 41.078 40.800 0.036 0.000 0.895 491 D HN 0.522 nan 8.370 nan 0.000 0.532 492 G N 0.574 109.417 108.800 0.071 0.000 2.241 492 G HA2 -0.288 3.673 3.960 0.001 0.000 0.244 492 G HA3 -0.288 3.673 3.960 0.001 0.000 0.244 492 G C 0.247 175.197 174.900 0.083 0.000 0.998 492 G CA 0.115 45.253 45.100 0.064 0.000 0.621 492 G HN 0.441 nan 8.290 nan 0.000 0.519 493 K N 1.304 121.772 120.400 0.114 0.000 2.270 493 K HA 0.399 4.719 4.320 0.001 0.000 0.276 493 K C 0.307 177.032 176.600 0.208 0.000 1.023 493 K CA -0.402 55.967 56.287 0.136 0.000 0.955 493 K CB 0.616 33.204 32.500 0.147 0.000 0.975 493 K HN -0.011 nan 8.250 nan 0.000 0.471 494 K N 3.152 123.649 120.400 0.162 0.000 2.270 494 K HA 0.218 4.538 4.320 0.001 0.000 0.276 494 K C -0.150 176.705 176.600 0.425 0.000 1.023 494 K CA 0.001 56.418 56.287 0.216 0.000 0.955 494 K CB 0.248 32.743 32.500 -0.008 0.000 0.975 494 K HN 0.486 nan 8.250 nan 0.000 0.471 495 F N -1.173 118.931 119.950 0.256 0.000 2.626 495 F HA 0.588 5.115 4.527 0.000 0.000 0.311 495 F C -0.668 175.109 175.800 -0.039 0.000 1.088 495 F CA -1.216 56.841 58.000 0.095 0.000 0.949 495 F CB 1.497 40.279 39.000 -0.365 0.000 1.322 495 F HN 0.157 nan 8.300 nan 0.000 0.461 496 K N 1.954 122.254 120.400 -0.167 0.000 2.259 496 K HA 0.549 4.869 4.320 0.001 0.000 0.252 496 K C -1.492 175.069 176.600 -0.065 0.000 0.936 496 K CA -1.064 54.967 56.287 -0.427 0.000 0.810 496 K CB 1.847 33.974 32.500 -0.621 0.000 1.143 496 K HN 0.567 nan 8.250 nan 0.000 0.427 497 L N 3.317 124.527 121.223 -0.021 0.000 2.360 497 L HA 0.090 4.431 4.340 0.001 0.000 0.276 497 L C 0.665 177.680 176.870 0.241 0.000 1.121 497 L CA 0.367 55.331 54.840 0.207 0.000 0.845 497 L CB 0.484 42.751 42.059 0.347 0.000 1.143 497 L HN 0.616 nan 8.230 nan 0.000 0.452 498 E N 3.870 124.163 120.200 0.155 0.000 2.354 498 E HA 0.310 4.661 4.350 0.001 0.000 0.269 498 E C -0.684 175.836 176.600 -0.135 0.000 1.036 498 E CA -0.631 55.798 56.400 0.048 0.000 0.876 498 E CB 1.409 31.122 29.700 0.022 0.000 1.009 498 E HN 0.610 nan 8.360 nan 0.000 0.416 499 A N 5.722 128.353 122.820 -0.315 0.000 2.511 499 A HA 0.254 4.575 4.320 0.001 0.000 0.242 499 A C -2.013 175.149 177.584 -0.703 0.000 1.069 499 A CA -0.975 50.477 52.037 -0.975 0.000 0.763 499 A CB -0.286 18.322 19.000 -0.653 0.000 1.001 499 A HN 0.566 nan 8.150 nan 0.000 0.498 500 P HA 0.293 nan 4.420 nan 0.000 0.275 500 P C -1.070 176.044 177.300 -0.310 0.000 1.227 500 P CA 0.054 62.876 63.100 -0.463 0.000 0.781 500 P CB 1.158 32.587 31.700 -0.451 0.000 0.906 501 D N 1.148 121.424 120.400 -0.207 0.000 2.738 501 D HA 0.673 5.314 4.640 0.001 0.000 0.237 501 D C -1.523 174.710 176.300 -0.113 0.000 1.123 501 D CA -0.603 53.312 54.000 -0.141 0.000 0.856 501 D CB 1.777 42.515 40.800 -0.104 0.000 1.552 501 D HN 0.484 nan 8.370 nan 0.000 0.480 502 A N 2.434 125.203 122.820 -0.087 0.000 2.601 502 A HA 0.494 4.814 4.320 0.001 0.000 0.291 502 A C -1.504 176.082 177.584 0.003 0.000 1.075 502 A CA -0.903 51.098 52.037 -0.061 0.000 0.671 502 A CB 1.066 19.968 19.000 -0.163 0.000 1.277 502 A HN 0.506 nan 8.150 nan 0.000 0.417 503 D N 1.048 121.500 120.400 0.086 0.000 2.372 503 D HA 0.205 4.845 4.640 0.001 0.000 0.243 503 D C 1.289 177.701 176.300 0.187 0.000 1.121 503 D CA 0.385 54.469 54.000 0.140 0.000 0.898 503 D CB 1.146 42.071 40.800 0.208 0.000 1.202 503 D HN 0.749 nan 8.370 nan 0.000 0.428 504 E N 1.371 121.656 120.200 0.142 0.000 2.158 504 E HA -0.043 4.307 4.350 0.001 0.000 0.191 504 E C 0.052 176.808 176.600 0.260 0.000 0.982 504 E CA 0.642 57.137 56.400 0.158 0.000 0.823 504 E CB 0.307 30.056 29.700 0.082 0.000 0.766 504 E HN 0.344 nan 8.360 nan 0.000 0.468 505 L N 0.866 122.179 121.223 0.150 0.000 2.415 505 L HA 0.466 4.806 4.340 0.001 0.000 0.256 505 L C -2.541 174.076 176.870 -0.420 0.000 1.010 505 L CA -3.003 51.751 54.840 -0.145 0.000 0.826 505 L CB 2.578 44.571 42.059 -0.111 0.000 1.405 505 L HN -0.088 nan 8.230 nan 0.000 0.410 506 P HA 0.154 nan 4.420 nan 0.000 0.271 506 P C -0.181 176.889 177.300 -0.384 0.000 1.216 506 P CA -0.177 62.464 63.100 -0.766 0.000 0.776 506 P CB 1.068 32.140 31.700 -1.046 0.000 0.881 507 R N 1.904 122.292 120.500 -0.186 0.000 2.081 507 R HA -0.050 4.290 4.340 0.001 0.000 0.235 507 R C 1.388 177.602 176.300 -0.143 0.000 1.131 507 R CA 1.472 57.500 56.100 -0.121 0.000 0.960 507 R CB -0.411 29.853 30.300 -0.059 0.000 0.856 507 R HN 0.606 nan 8.270 nan 0.000 0.436 508 A N 1.061 123.784 122.820 -0.162 0.000 2.275 508 A HA 0.181 4.501 4.320 0.001 0.000 0.282 508 A C -0.032 177.428 177.584 -0.207 0.000 1.275 508 A CA -0.501 51.450 52.037 -0.144 0.000 0.842 508 A CB 0.253 19.184 19.000 -0.115 0.000 1.280 508 A HN 0.002 nan 8.150 nan 0.000 0.508 509 E N -0.951 119.159 120.200 -0.149 0.000 2.351 509 E HA 0.385 4.735 4.350 0.001 0.000 0.255 509 E C -0.931 175.567 176.600 -0.170 0.000 1.188 509 E CA -0.267 56.047 56.400 -0.144 0.000 0.940 509 E CB 0.069 29.742 29.700 -0.045 0.000 1.094 509 E HN 0.368 nan 8.360 nan 0.000 0.474 510 F N 1.014 120.889 119.950 -0.124 0.000 2.459 510 F HA 0.024 4.552 4.527 0.001 0.000 0.346 510 F C 1.227 176.992 175.800 -0.059 0.000 1.128 510 F CA 0.245 58.178 58.000 -0.112 0.000 1.268 510 F CB 0.482 39.418 39.000 -0.106 0.000 1.161 510 F HN 0.089 nan 8.300 nan 0.000 0.583 511 D N 5.131 125.635 120.400 0.172 0.000 2.280 511 D HA 0.159 4.800 4.640 0.001 0.000 0.243 511 D C -1.690 174.680 176.300 0.116 0.000 1.129 511 D CA -2.288 51.773 54.000 0.103 0.000 0.848 511 D CB 1.694 42.536 40.800 0.070 0.000 1.107 511 D HN 0.172 nan 8.370 nan 0.000 0.471 512 P HA 0.033 nan 4.420 nan 0.000 0.230 512 P C 0.847 178.196 177.300 0.083 0.000 1.158 512 P CA 0.713 63.862 63.100 0.082 0.000 0.769 512 P CB 0.242 31.989 31.700 0.080 0.000 0.807 513 G N 0.977 109.821 108.800 0.073 0.000 2.598 513 G HA2 -0.235 3.726 3.960 0.001 0.000 0.244 513 G HA3 -0.235 3.726 3.960 0.001 0.000 0.244 513 G C -0.482 174.456 174.900 0.064 0.000 1.302 513 G CA 0.132 45.271 45.100 0.066 0.000 0.903 513 G HN 0.664 nan 8.290 nan 0.000 0.575 514 Q N 0.557 120.392 119.800 0.059 0.000 2.312 514 Q HA 0.491 4.831 4.340 0.001 0.000 0.236 514 Q C 0.440 176.480 176.000 0.067 0.000 0.965 514 Q CA -0.023 55.812 55.803 0.053 0.000 0.894 514 Q CB 0.780 29.542 28.738 0.040 0.000 1.225 514 Q HN 0.814 nan 8.270 nan 0.000 0.478 515 D N 1.536 121.968 120.400 0.053 0.000 2.451 515 D HA -0.061 4.579 4.640 0.001 0.000 0.254 515 D C -0.032 176.290 176.300 0.036 0.000 1.204 515 D CA 0.533 54.563 54.000 0.050 0.000 0.896 515 D CB 0.782 41.600 40.800 0.030 0.000 1.136 515 D HN 0.806 nan 8.370 nan 0.000 0.499 516 T N -0.457 114.119 114.554 0.037 0.000 3.087 516 T HA 0.041 4.391 4.350 0.001 0.000 0.283 516 T C 0.111 174.723 174.700 -0.146 0.000 0.956 516 T CA -0.563 61.543 62.100 0.011 0.000 0.894 516 T CB -0.491 68.459 68.868 0.136 0.000 1.160 516 T HN 0.407 nan 8.240 nan 0.000 0.532 517 Y N 2.439 122.436 120.300 -0.506 0.000 2.334 517 Y HA 0.626 5.176 4.550 0.001 0.000 0.328 517 Y C -0.127 175.517 175.900 -0.427 0.000 1.130 517 Y CA -1.182 56.369 58.100 -0.915 0.000 1.163 517 Y CB 1.381 38.961 38.460 -1.466 0.000 1.207 517 Y HN 0.142 nan 8.280 nan 0.000 0.471 518 Q N 5.486 124.652 119.800 -1.058 0.000 2.363 518 Q HA 0.202 4.543 4.340 0.001 0.000 0.265 518 Q C -1.345 174.092 176.000 -0.938 0.000 1.032 518 Q CA -0.616 54.788 55.803 -0.664 0.000 0.746 518 Q CB 0.544 29.147 28.738 -0.225 0.000 1.237 518 Q HN 0.830 nan 8.270 nan 0.000 0.475 519 H N 4.473 123.110 119.070 -0.721 0.000 2.629 519 H HA 0.264 4.820 4.556 0.001 0.000 0.357 519 H C -2.045 173.158 175.328 -0.209 0.000 1.121 519 H CA -1.455 54.366 56.048 -0.377 0.000 1.406 519 H CB 1.180 30.951 29.762 0.015 0.000 1.456 519 H HN 0.536 nan 8.280 nan 0.000 0.579 520 P HA 0.071 nan 4.420 nan 0.000 0.271 520 P C -2.712 174.488 177.300 -0.166 0.000 1.216 520 P CA -1.391 61.530 63.100 -0.300 0.000 0.776 520 P CB 0.151 31.673 31.700 -0.297 0.000 0.881 521 P HA 0.111 nan 4.420 nan 0.000 0.269 521 P C 0.184 177.444 177.300 -0.067 0.000 1.252 521 P CA 0.035 63.097 63.100 -0.063 0.000 0.780 521 P CB 0.549 32.203 31.700 -0.075 0.000 0.829 522 K N 2.459 122.837 120.400 -0.037 0.000 2.440 522 K HA 0.094 4.414 4.320 0.001 0.000 0.206 522 K C 0.756 177.331 176.600 -0.041 0.000 1.025 522 K CA 0.087 56.346 56.287 -0.046 0.000 1.135 522 K CB 0.448 32.926 32.500 -0.037 0.000 0.856 522 K HN 0.612 nan 8.250 nan 0.000 0.502 523 D N -0.994 119.383 120.400 -0.037 0.000 2.350 523 D HA 0.088 4.729 4.640 0.001 0.000 0.272 523 D C 1.033 177.305 176.300 -0.046 0.000 1.204 523 D CA -0.341 53.638 54.000 -0.035 0.000 1.124 523 D CB -0.169 40.615 40.800 -0.027 0.000 1.189 523 D HN -0.240 nan 8.370 nan 0.000 0.556 524 S N 0.269 115.942 115.700 -0.045 0.000 2.507 524 S HA -0.337 4.133 4.470 0.001 0.000 0.327 524 S C 1.294 175.850 174.600 -0.072 0.000 1.255 524 S CA 2.841 61.008 58.200 -0.054 0.000 1.276 524 S CB -1.290 61.878 63.200 -0.053 0.000 1.296 524 S HN 0.593 nan 8.310 nan 0.000 0.459 525 S N 0.333 115.978 115.700 -0.092 0.000 3.238 525 S HA -0.211 4.260 4.470 0.001 0.000 0.366 525 S C 0.770 175.290 174.600 -0.133 0.000 1.130 525 S CA 0.569 58.694 58.200 -0.126 0.000 1.022 525 S CB -1.692 61.432 63.200 -0.127 0.000 0.913 525 S HN 0.995 nan 8.310 nan 0.000 0.545 526 G N -0.163 108.573 108.800 -0.105 0.000 3.340 526 G HA2 0.275 4.236 3.960 0.001 0.000 0.240 526 G HA3 0.275 4.236 3.960 0.001 0.000 0.240 526 G C 0.157 174.993 174.900 -0.106 0.000 1.327 526 G CA -0.283 44.760 45.100 -0.095 0.000 1.170 526 G HN 0.453 nan 8.290 nan 0.000 0.520 527 Q N 0.252 119.966 119.800 -0.143 0.000 2.332 527 Q HA 0.365 4.706 4.340 0.001 0.000 0.263 527 Q C 0.404 176.324 176.000 -0.132 0.000 0.979 527 Q CA 0.304 56.020 55.803 -0.145 0.000 0.885 527 Q CB 0.885 29.508 28.738 -0.191 0.000 1.218 527 Q HN 0.269 nan 8.270 nan 0.000 0.405 528 R N 1.288 121.734 120.500 -0.090 0.000 2.229 528 R HA 0.389 4.729 4.340 0.001 0.000 0.328 528 R C -1.024 175.248 176.300 -0.046 0.000 1.009 528 R CA -0.511 55.556 56.100 -0.056 0.000 0.864 528 R CB 0.978 31.259 30.300 -0.031 0.000 1.085 528 R HN 0.353 nan 8.270 nan 0.000 0.453 529 V N 3.344 123.245 119.914 -0.022 0.000 2.432 529 V HA 0.061 4.181 4.120 0.001 0.000 0.271 529 V C 0.000 176.149 176.094 0.091 0.000 1.046 529 V CA -0.305 62.010 62.300 0.024 0.000 0.945 529 V CB 1.146 33.002 31.823 0.054 0.000 0.992 529 V HN 0.661 nan 8.190 nan 0.000 0.471 530 D N 4.293 124.757 120.400 0.106 0.000 2.256 530 D HA 0.523 5.164 4.640 0.001 0.000 0.240 530 D C -0.892 175.493 176.300 0.141 0.000 1.062 530 D CA -0.188 53.872 54.000 0.099 0.000 0.832 530 D CB 1.833 42.668 40.800 0.058 0.000 1.135 530 D HN 0.283 nan 8.370 nan 0.000 0.484 531 V N 3.418 123.392 119.914 0.101 0.000 2.376 531 V HA 0.309 4.429 4.120 0.001 0.000 0.287 531 V C 0.202 176.312 176.094 0.026 0.000 1.015 531 V CA -0.944 61.387 62.300 0.052 0.000 0.834 531 V CB 1.336 33.167 31.823 0.014 0.000 1.001 531 V HN 0.668 nan 8.190 nan 0.000 0.428 532 S N 6.998 122.712 115.700 0.023 0.000 2.549 532 S HA 0.230 4.700 4.470 0.001 0.000 0.283 532 S C -0.767 173.844 174.600 0.019 0.000 1.320 532 S CA -0.806 57.408 58.200 0.023 0.000 1.058 532 S CB 1.022 64.239 63.200 0.027 0.000 0.882 532 S HN 0.693 nan 8.310 nan 0.000 0.498 533 P HA 0.009 nan 4.420 nan 0.000 0.230 533 P C 0.789 178.110 177.300 0.036 0.000 1.158 533 P CA 0.817 63.928 63.100 0.017 0.000 0.769 533 P CB -0.318 31.390 31.700 0.013 0.000 0.807 534 T N -4.729 109.850 114.554 0.041 0.000 3.105 534 T HA 0.150 4.500 4.350 0.001 0.000 0.253 534 T C 0.800 175.542 174.700 0.070 0.000 1.047 534 T CA -0.344 61.788 62.100 0.053 0.000 0.944 534 T CB -0.556 68.334 68.868 0.037 0.000 1.016 534 T HN -0.026 nan 8.240 nan 0.000 0.544 535 S N 1.154 116.902 115.700 0.080 0.000 2.560 535 S HA 0.088 4.558 4.470 0.001 0.000 0.284 535 S C 1.134 175.831 174.600 0.163 0.000 1.327 535 S CA -0.421 57.836 58.200 0.095 0.000 1.055 535 S CB 0.646 63.890 63.200 0.073 0.000 0.868 535 S HN 0.310 nan 8.310 nan 0.000 0.506 536 Q N 2.913 122.777 119.800 0.107 0.000 2.392 536 Q HA 0.215 4.556 4.340 0.001 0.000 0.203 536 Q C 1.412 177.513 176.000 0.167 0.000 0.917 536 Q CA 0.554 56.380 55.803 0.037 0.000 0.939 536 Q CB 0.187 28.966 28.738 0.068 0.000 1.063 536 Q HN 0.696 nan 8.270 nan 0.000 0.516 537 R N -0.948 119.679 120.500 0.212 0.000 2.344 537 R HA 0.331 4.671 4.340 0.001 0.000 0.209 537 R C 0.087 176.486 176.300 0.165 0.000 0.886 537 R CA 0.176 56.392 56.100 0.193 0.000 1.040 537 R CB 1.025 31.345 30.300 0.033 0.000 1.114 537 R HN 0.003 nan 8.270 nan 0.000 0.547 538 L N 0.664 121.957 121.223 0.117 0.000 2.431 538 L HA 0.442 4.783 4.340 0.001 0.000 0.266 538 L C -1.019 175.763 176.870 -0.145 0.000 0.978 538 L CA -0.700 54.077 54.840 -0.106 0.000 0.822 538 L CB 2.441 44.324 42.059 -0.293 0.000 1.310 538 L HN -0.086 nan 8.230 nan 0.000 0.409 539 Q N 2.894 122.514 119.800 -0.299 0.000 2.284 539 Q HA 0.501 4.841 4.340 0.001 0.000 0.269 539 Q C -1.709 174.138 176.000 -0.255 0.000 1.026 539 Q CA -0.677 54.913 55.803 -0.354 0.000 0.831 539 Q CB 2.334 30.632 28.738 -0.734 0.000 1.322 539 Q HN 0.575 nan 8.270 nan 0.000 0.419 540 L N 3.565 124.687 121.223 -0.169 0.000 2.461 540 L HA 0.229 4.569 4.340 0.001 0.000 0.272 540 L C 0.050 176.828 176.870 -0.154 0.000 1.197 540 L CA -0.194 54.573 54.840 -0.122 0.000 0.836 540 L CB 0.199 42.218 42.059 -0.068 0.000 1.105 540 L HN 0.548 nan 8.230 nan 0.000 0.477 541 L N 2.199 123.331 121.223 -0.152 0.000 2.371 541 L HA 0.274 4.614 4.340 0.001 0.000 0.272 541 L C 0.272 177.036 176.870 -0.176 0.000 1.124 541 L CA -0.011 54.709 54.840 -0.199 0.000 0.816 541 L CB 0.830 42.754 42.059 -0.225 0.000 1.129 541 L HN 0.611 nan 8.230 nan 0.000 0.448 542 E N 4.602 124.683 120.200 -0.198 0.000 2.166 542 E HA 0.373 4.723 4.350 0.001 0.000 0.275 542 E C -2.301 174.147 176.600 -0.253 0.000 0.941 542 E CA -1.959 54.350 56.400 -0.152 0.000 0.784 542 E CB 1.419 31.072 29.700 -0.079 0.000 1.115 542 E HN 0.323 nan 8.360 nan 0.000 0.399 543 P HA 0.017 nan 4.420 nan 0.000 0.268 543 P C -0.714 176.487 177.300 -0.165 0.000 1.205 543 P CA 0.084 63.050 63.100 -0.223 0.000 0.771 543 P CB 0.264 31.901 31.700 -0.105 0.000 0.858 544 F N 1.619 121.574 119.950 0.008 0.000 2.444 544 F HA 0.043 4.570 4.527 0.000 0.000 0.331 544 F C 1.623 177.422 175.800 -0.002 0.000 1.167 544 F CA -0.233 57.776 58.000 0.015 0.000 1.262 544 F CB -0.128 38.881 39.000 0.015 0.000 1.196 544 F HN 0.361 nan 8.300 nan 0.000 0.583 545 D N 2.015 122.538 120.400 0.205 0.000 2.443 545 D HA -0.005 4.635 4.640 0.001 0.000 0.239 545 D C -0.255 176.084 176.300 0.065 0.000 1.136 545 D CA -0.249 53.806 54.000 0.091 0.000 0.879 545 D CB 0.627 41.461 40.800 0.056 0.000 1.195 545 D HN 0.220 nan 8.370 nan 0.000 0.443 546 K N 1.063 121.483 120.400 0.033 0.000 2.219 546 K HA 0.033 4.354 4.320 0.001 0.000 0.258 546 K C 0.121 176.732 176.600 0.018 0.000 1.008 546 K CA -0.602 55.697 56.287 0.021 0.000 0.928 546 K CB 0.584 33.090 32.500 0.010 0.000 0.983 546 K HN 0.590 nan 8.250 nan 0.000 0.484 547 W N 4.078 125.232 121.300 -0.244 0.000 2.210 547 W HA -0.041 4.619 4.660 0.001 0.000 0.330 547 W C 0.675 177.101 176.519 -0.154 0.000 1.334 547 W CA -0.205 56.961 57.345 -0.298 0.000 1.227 547 W CB 0.294 29.427 29.460 -0.545 0.000 1.178 547 W HN 0.695 nan 8.180 nan 0.000 0.560 548 D N 2.652 122.757 120.400 -0.492 0.000 2.371 548 D HA 0.031 4.671 4.640 0.001 0.000 0.221 548 D C 1.665 177.459 176.300 -0.843 0.000 0.986 548 D CA 0.948 54.638 54.000 -0.517 0.000 0.899 548 D CB -0.426 40.194 40.800 -0.300 0.000 0.902 548 D HN 0.808 nan 8.370 nan 0.000 0.530 549 G N -0.439 107.254 108.800 -1.845 0.000 2.175 549 G HA2 -0.270 3.690 3.960 0.001 0.000 0.244 549 G HA3 -0.270 3.690 3.960 0.001 0.000 0.244 549 G C 0.129 174.416 174.900 -1.023 0.000 0.982 549 G CA 0.168 44.186 45.100 -1.803 0.000 0.641 549 G HN 0.510 nan 8.290 nan 0.000 0.527 550 K N 0.466 120.488 120.400 -0.630 0.000 2.295 550 K HA 0.537 4.857 4.320 0.001 0.000 0.239 550 K C -0.449 176.304 176.600 0.255 0.000 0.991 550 K CA -1.070 55.162 56.287 -0.090 0.000 0.845 550 K CB 1.240 33.672 32.500 -0.112 0.000 1.197 550 K HN 0.058 nan 8.250 nan 0.000 0.441 551 D N 0.991 121.495 120.400 0.174 0.000 2.363 551 D HA 0.094 4.734 4.640 0.001 0.000 0.240 551 D C -0.221 176.143 176.300 0.106 0.000 1.236 551 D CA 0.177 54.266 54.000 0.148 0.000 0.927 551 D CB 0.620 41.455 40.800 0.058 0.000 1.150 551 D HN 0.218 nan 8.370 nan 0.000 0.458 552 L N 1.675 122.932 121.223 0.056 0.000 2.283 552 L HA 0.216 4.557 4.340 0.001 0.000 0.281 552 L C 0.464 177.333 176.870 -0.001 0.000 1.033 552 L CA -0.495 54.364 54.840 0.031 0.000 0.848 552 L CB 0.396 42.458 42.059 0.005 0.000 1.226 552 L HN 0.143 nan 8.230 nan 0.000 0.429 553 E N 2.737 122.937 120.200 -0.000 0.000 2.214 553 E HA 0.212 4.562 4.350 0.001 0.000 0.274 553 E C -0.743 175.848 176.600 -0.016 0.000 0.977 553 E CA -0.884 55.509 56.400 -0.011 0.000 0.827 553 E CB 1.406 31.099 29.700 -0.010 0.000 1.130 553 E HN 0.386 nan 8.360 nan 0.000 0.394 554 D N 1.541 121.928 120.400 -0.022 0.000 2.697 554 D HA -0.180 4.460 4.640 0.001 0.000 0.238 554 D C -0.475 175.809 176.300 -0.026 0.000 1.152 554 D CA 0.763 54.748 54.000 -0.025 0.000 0.666 554 D CB -1.033 39.754 40.800 -0.023 0.000 1.037 554 D HN 0.414 nan 8.370 nan 0.000 0.423 555 L N 0.264 121.474 121.223 -0.021 0.000 2.380 555 L HA 0.150 4.491 4.340 0.001 0.000 0.273 555 L C 1.074 177.936 176.870 -0.012 0.000 1.138 555 L CA -0.173 54.661 54.840 -0.009 0.000 0.832 555 L CB 0.717 42.774 42.059 -0.002 0.000 1.124 555 L HN 0.018 nan 8.230 nan 0.000 0.454 556 Q N 3.041 122.830 119.800 -0.019 0.000 2.259 556 Q HA 0.370 4.710 4.340 0.001 0.000 0.249 556 Q C -0.733 175.289 176.000 0.037 0.000 0.914 556 Q CA -0.020 55.745 55.803 -0.063 0.000 0.904 556 Q CB 1.127 29.703 28.738 -0.270 0.000 1.213 556 Q HN 0.467 nan 8.270 nan 0.000 0.428 557 I N 5.714 126.302 120.570 0.030 0.000 2.379 557 I HA -0.002 4.169 4.170 0.001 0.000 0.290 557 I C 0.830 176.998 176.117 0.084 0.000 1.063 557 I CA -0.243 61.102 61.300 0.075 0.000 1.351 557 I CB 0.699 38.724 38.000 0.042 0.000 1.410 557 I HN 0.778 nan 8.210 nan 0.000 0.505 558 L N 8.687 129.978 121.223 0.112 0.000 2.027 558 L HA 0.224 4.564 4.340 0.001 0.000 0.206 558 L C 0.417 177.272 176.870 -0.026 0.000 1.074 558 L CA 1.874 56.703 54.840 -0.019 0.000 0.745 558 L CB 0.188 41.987 42.059 -0.433 0.000 0.898 558 L HN 0.577 nan 8.230 nan 0.000 0.433 559 I N -0.769 119.810 120.570 0.014 0.000 2.743 559 I HA 0.227 4.398 4.170 0.001 0.000 0.292 559 I C -1.327 174.825 176.117 0.058 0.000 1.343 559 I CA -0.790 60.527 61.300 0.028 0.000 1.038 559 I CB 1.393 39.406 38.000 0.021 0.000 1.311 559 I HN -0.041 nan 8.210 nan 0.000 0.426 560 K N 7.210 127.640 120.400 0.049 0.000 2.293 560 K HA 0.608 4.928 4.320 0.001 0.000 0.267 560 K C -1.637 175.017 176.600 0.091 0.000 1.010 560 K CA -0.511 55.803 56.287 0.045 0.000 0.875 560 K CB 1.490 33.964 32.500 -0.043 0.000 1.106 560 K HN 0.473 nan 8.250 nan 0.000 0.450 561 V N 4.216 124.220 119.914 0.150 0.000 2.607 561 V HA 0.232 4.352 4.120 0.001 0.000 0.289 561 V C 0.103 176.319 176.094 0.202 0.000 1.053 561 V CA -0.576 61.820 62.300 0.160 0.000 0.996 561 V CB 1.386 33.321 31.823 0.186 0.000 0.995 561 V HN 0.710 nan 8.190 nan 0.000 0.476 562 K N 2.807 123.286 120.400 0.133 0.000 2.235 562 K HA 0.587 4.907 4.320 0.001 0.000 0.266 562 K C 0.482 177.101 176.600 0.031 0.000 0.980 562 K CA 0.660 57.019 56.287 0.120 0.000 0.849 562 K CB 1.109 33.663 32.500 0.090 0.000 1.098 562 K HN 1.046 nan 8.250 nan 0.000 0.445 563 G N 3.323 112.115 108.800 -0.014 0.000 2.553 563 G HA2 -0.297 3.663 3.960 0.001 0.000 0.242 563 G HA3 -0.297 3.663 3.960 0.001 0.000 0.242 563 G C -0.738 174.093 174.900 -0.115 0.000 1.277 563 G CA -0.297 44.762 45.100 -0.068 0.000 0.910 563 G HN 0.690 nan 8.290 nan 0.000 0.576 564 K N -0.527 119.770 120.400 -0.172 0.000 2.416 564 K HA 0.399 4.719 4.320 0.001 0.000 0.283 564 K C -0.486 175.814 176.600 -0.500 0.000 1.037 564 K CA 0.381 56.501 56.287 -0.279 0.000 0.995 564 K CB 0.098 32.436 32.500 -0.270 0.000 0.938 564 K HN 0.921 nan 8.250 nan 0.000 0.475 565 C N 5.101 124.121 119.300 -0.467 0.000 3.123 565 C HA 0.264 4.724 4.460 0.001 0.000 0.284 565 C C -0.040 174.642 174.990 -0.512 0.000 1.076 565 C CA -0.474 58.203 59.018 -0.568 0.000 1.416 565 C CB -0.211 27.360 27.740 -0.282 0.000 1.841 565 C HN 0.926 nan 8.230 nan 0.000 0.501 566 T N 2.578 116.878 114.554 -0.424 0.000 2.802 566 T HA 0.112 4.462 4.350 0.001 0.000 0.305 566 T C 1.716 176.317 174.700 -0.165 0.000 1.053 566 T CA 0.822 62.778 62.100 -0.240 0.000 1.058 566 T CB 1.017 69.757 68.868 -0.213 0.000 0.988 566 T HN 0.801 nan 8.240 nan 0.000 0.539 567 T N -0.977 113.507 114.554 -0.117 0.000 3.007 567 T HA -0.079 4.271 4.350 0.001 0.000 0.270 567 T C 1.214 175.922 174.700 0.012 0.000 1.107 567 T CA 0.778 62.818 62.100 -0.100 0.000 1.118 567 T CB -0.065 68.777 68.868 -0.043 0.000 0.889 567 T HN 0.482 nan 8.240 nan 0.000 0.506 568 D N 0.984 121.433 120.400 0.082 0.000 2.269 568 D HA -0.036 4.604 4.640 0.001 0.000 0.208 568 D C 1.691 177.987 176.300 -0.006 0.000 0.963 568 D CA 0.916 54.960 54.000 0.073 0.000 0.864 568 D CB -0.127 40.762 40.800 0.148 0.000 0.936 568 D HN 0.563 nan 8.370 nan 0.000 0.505 569 H N 0.095 119.125 119.070 -0.065 0.000 2.403 569 H HA 0.120 4.676 4.556 0.000 0.000 0.298 569 H C 2.156 177.441 175.328 -0.072 0.000 1.059 569 H CA 0.596 56.602 56.048 -0.070 0.000 1.363 569 H CB 0.086 29.786 29.762 -0.104 0.000 1.410 569 H HN 0.115 nan 8.280 nan 0.000 0.528 570 I N -1.200 119.383 120.570 0.021 0.000 2.333 570 I HA -0.080 4.090 4.170 0.001 0.000 0.246 570 I C 0.574 176.687 176.117 -0.007 0.000 1.106 570 I CA 0.838 62.138 61.300 0.000 0.000 1.411 570 I CB 0.314 38.273 38.000 -0.067 0.000 1.082 570 I HN 0.045 nan 8.210 nan 0.000 0.420 571 S N 0.797 116.486 115.700 -0.018 0.000 2.461 571 S HA 0.640 5.111 4.470 0.001 0.000 0.216 571 S C -0.242 174.332 174.600 -0.043 0.000 1.201 571 S CA -0.806 57.366 58.200 -0.047 0.000 1.171 571 S CB 0.230 63.460 63.200 0.050 0.000 1.169 571 S HN 0.226 nan 8.310 nan 0.000 0.456 572 A N 3.311 126.061 122.820 -0.115 0.000 2.492 572 A HA 0.708 5.028 4.320 0.001 0.000 0.236 572 A C 1.088 178.747 177.584 0.125 0.000 1.078 572 A CA 0.488 52.525 52.037 -0.001 0.000 0.773 572 A CB -0.097 18.904 19.000 0.002 0.000 1.023 572 A HN 1.285 nan 8.150 nan 0.000 0.504 573 A N 0.962 123.896 122.820 0.190 0.000 3.711 573 A HA 0.769 5.090 4.320 0.001 0.000 0.185 573 A C 1.776 179.518 177.584 0.263 0.000 1.697 573 A CA 0.812 52.977 52.037 0.214 0.000 1.787 573 A CB -1.046 18.048 19.000 0.158 0.000 1.545 573 A HN 2.742 nan 8.150 nan 0.000 0.553 574 G N -0.242 108.664 108.800 0.177 0.000 2.665 574 G HA2 -0.305 3.656 3.960 0.001 0.000 0.326 574 G HA3 -0.305 3.656 3.960 0.001 0.000 0.326 574 G C -0.752 174.196 174.900 0.080 0.000 1.231 574 G CA 0.980 46.160 45.100 0.134 0.000 0.992 574 G HN 0.718 nan 8.290 nan 0.000 0.549 575 P HA -0.028 nan 4.420 nan 0.000 0.223 575 P C 1.272 178.418 177.300 -0.257 0.000 1.151 575 P CA 1.944 64.938 63.100 -0.177 0.000 0.787 575 P CB -0.204 31.326 31.700 -0.282 0.000 0.788 576 W N -0.055 121.268 121.300 0.038 0.000 2.699 576 W HA 0.109 4.770 4.660 0.000 0.000 0.249 576 W C 2.185 178.707 176.519 0.006 0.000 1.280 576 W CA -0.034 57.369 57.345 0.097 0.000 1.345 576 W CB -0.851 28.688 29.460 0.131 0.000 1.128 576 W HN -0.148 nan 8.180 nan 0.000 0.642 577 L N 0.752 122.040 121.223 0.108 0.000 2.265 577 L HA -0.205 4.135 4.340 0.001 0.000 0.215 577 L C 2.585 179.406 176.870 -0.082 0.000 1.117 577 L CA 1.121 55.980 54.840 0.030 0.000 0.782 577 L CB -0.718 41.364 42.059 0.039 0.000 0.914 577 L HN 0.015 nan 8.230 nan 0.000 0.441 578 K N 0.607 120.851 120.400 -0.260 0.000 2.160 578 K HA -0.193 4.128 4.320 0.001 0.000 0.206 578 K C 1.104 177.387 176.600 -0.528 0.000 1.047 578 K CA 1.541 57.525 56.287 -0.506 0.000 0.930 578 K CB 0.021 32.007 32.500 -0.858 0.000 0.720 578 K HN 0.216 nan 8.250 nan 0.000 0.450 579 F N 0.222 120.208 119.950 0.060 0.000 2.647 579 F HA 0.254 4.782 4.527 0.001 0.000 0.300 579 F C 1.304 177.170 175.800 0.111 0.000 1.106 579 F CA -0.395 57.665 58.000 0.100 0.000 1.313 579 F CB 0.380 39.481 39.000 0.169 0.000 1.007 579 F HN -0.183 nan 8.300 nan 0.000 0.536 580 R N 0.227 120.809 120.500 0.137 0.000 2.293 580 R HA 0.014 4.355 4.340 0.001 0.000 0.219 580 R C 1.887 178.303 176.300 0.192 0.000 1.091 580 R CA 0.833 56.966 56.100 0.055 0.000 1.004 580 R CB -0.855 29.386 30.300 -0.098 0.000 0.865 580 R HN 0.377 nan 8.270 nan 0.000 0.469 581 G N -1.063 107.823 108.800 0.143 0.000 3.277 581 G HA2 -0.067 3.893 3.960 0.001 0.000 0.243 581 G HA3 -0.067 3.893 3.960 0.001 0.000 0.243 581 G C -0.083 174.850 174.900 0.054 0.000 1.107 581 G CA -0.145 44.989 45.100 0.056 0.000 0.771 581 G HN 0.183 nan 8.290 nan 0.000 0.544 582 H N 0.948 120.070 119.070 0.086 0.000 2.791 582 H HA 0.250 4.806 4.556 0.000 0.000 0.272 582 H C 0.684 176.018 175.328 0.010 0.000 1.188 582 H CA -0.748 55.326 56.048 0.043 0.000 1.436 582 H CB 1.498 31.330 29.762 0.117 0.000 1.467 582 H HN 0.039 nan 8.280 nan 0.000 0.500 583 L N 3.795 124.966 121.223 -0.085 0.000 2.046 583 L HA -0.107 4.233 4.340 0.001 0.000 0.208 583 L C 1.763 178.500 176.870 -0.221 0.000 1.077 583 L CA 2.091 56.828 54.840 -0.171 0.000 0.747 583 L CB -0.346 41.462 42.059 -0.417 0.000 0.896 583 L HN 0.561 nan 8.230 nan 0.000 0.432 584 D N -1.105 119.185 120.400 -0.183 0.000 2.144 584 D HA -0.171 4.469 4.640 0.001 0.000 0.200 584 D C 1.897 178.298 176.300 0.169 0.000 0.978 584 D CA 1.466 55.511 54.000 0.075 0.000 0.833 584 D CB -0.035 40.908 40.800 0.238 0.000 0.961 584 D HN 0.533 nan 8.370 nan 0.000 0.470 585 N N -0.588 118.195 118.700 0.138 0.000 2.250 585 N HA 0.008 4.749 4.740 0.001 0.000 0.181 585 N C 1.796 177.255 175.510 -0.086 0.000 1.017 585 N CA 0.205 53.114 53.050 -0.235 0.000 0.866 585 N CB 0.241 38.207 38.487 -0.868 0.000 0.985 585 N HN 0.172 nan 8.380 nan 0.000 0.429 586 I N 0.493 121.149 120.570 0.143 0.000 2.761 586 I HA -0.106 4.065 4.170 0.001 0.000 0.261 586 I C 1.202 177.384 176.117 0.108 0.000 1.198 586 I CA 0.715 62.184 61.300 0.282 0.000 1.482 586 I CB 0.120 38.332 38.000 0.354 0.000 1.100 586 I HN 0.035 nan 8.210 nan 0.000 0.445 587 S N 1.384 117.166 115.700 0.136 0.000 2.537 587 S HA -0.083 4.387 4.470 0.001 0.000 0.240 587 S C 1.361 176.000 174.600 0.066 0.000 0.981 587 S CA 0.641 58.935 58.200 0.157 0.000 0.948 587 S CB -0.459 62.961 63.200 0.367 0.000 0.759 587 S HN 0.535 nan 8.310 nan 0.000 0.531 588 N N 2.710 121.431 118.700 0.035 0.000 2.571 588 N HA -0.029 4.712 4.740 0.001 0.000 0.189 588 N C 0.963 176.321 175.510 -0.253 0.000 1.154 588 N CA 0.432 53.493 53.050 0.019 0.000 0.907 588 N CB -0.377 38.234 38.487 0.207 0.000 0.977 588 N HN 0.798 nan 8.380 nan 0.000 0.449 589 N N 0.014 118.307 118.700 -0.678 0.000 2.230 589 N HA 0.004 4.744 4.740 0.001 0.000 0.202 589 N C 0.119 175.406 175.510 -0.372 0.000 1.119 589 N CA -0.419 52.100 53.050 -0.884 0.000 0.851 589 N CB 0.188 37.646 38.487 -1.715 0.000 0.990 589 N HN -0.072 nan 8.380 nan 0.000 0.497 590 L N 2.349 123.468 121.223 -0.173 0.000 2.700 590 L HA -0.014 4.327 4.340 0.001 0.000 0.272 590 L C 0.544 177.393 176.870 -0.034 0.000 1.176 590 L CA 0.767 55.582 54.840 -0.042 0.000 0.961 590 L CB -0.500 41.594 42.059 0.059 0.000 1.249 590 L HN 0.311 nan 8.230 nan 0.000 0.487 591 L N 4.616 125.835 121.223 -0.006 0.000 4.001 591 L HA -0.304 4.036 4.340 0.001 0.000 0.413 591 L C 1.408 178.284 176.870 0.010 0.000 1.185 591 L CA 0.811 55.667 54.840 0.027 0.000 0.963 591 L CB -1.387 40.705 42.059 0.056 0.000 1.976 591 L HN 0.844 nan 8.230 nan 0.000 0.939 592 I N -4.311 116.241 120.570 -0.029 0.000 3.001 592 I HA 0.062 4.233 4.170 0.001 0.000 0.268 592 I C 1.900 178.030 176.117 0.021 0.000 1.267 592 I CA 1.436 62.732 61.300 -0.007 0.000 1.472 592 I CB -0.302 37.688 38.000 -0.017 0.000 1.089 592 I HN 0.230 nan 8.210 nan 0.000 0.468 593 G N 0.964 109.779 108.800 0.025 0.000 2.887 593 G HA2 0.473 4.433 3.960 0.001 0.000 0.211 593 G HA3 0.473 4.433 3.960 0.001 0.000 0.211 593 G C 0.795 175.803 174.900 0.181 0.000 1.152 593 G CA 0.334 45.456 45.100 0.037 0.000 0.769 593 G HN 0.522 nan 8.290 nan 0.000 0.541 594 A N 0.700 123.619 122.820 0.165 0.000 2.407 594 A HA 0.543 4.863 4.320 0.001 0.000 0.248 594 A C -0.040 177.609 177.584 0.110 0.000 1.082 594 A CA -0.159 51.969 52.037 0.153 0.000 0.785 594 A CB 0.405 19.470 19.000 0.109 0.000 1.020 594 A HN 0.103 nan 8.150 nan 0.000 0.489 595 I N 2.529 123.148 120.570 0.082 0.000 2.325 595 I HA 0.105 4.276 4.170 0.001 0.000 0.291 595 I C 0.339 176.499 176.117 0.071 0.000 1.019 595 I CA -0.405 60.935 61.300 0.067 0.000 1.302 595 I CB 0.670 38.698 38.000 0.046 0.000 1.401 595 I HN 0.712 nan 8.210 nan 0.000 0.485 596 N N 3.888 122.633 118.700 0.074 0.000 2.470 596 N HA 0.006 4.747 4.740 0.001 0.000 0.268 596 N C 1.128 176.685 175.510 0.078 0.000 1.136 596 N CA 0.166 53.265 53.050 0.083 0.000 0.961 596 N CB 1.051 39.599 38.487 0.102 0.000 1.067 596 N HN 0.583 nan 8.380 nan 0.000 0.468 597 S N 2.578 118.324 115.700 0.077 0.000 2.423 597 S HA -0.179 4.291 4.470 0.001 0.000 0.231 597 S C 1.483 176.123 174.600 0.066 0.000 1.014 597 S CA 1.100 59.341 58.200 0.069 0.000 0.965 597 S CB -0.340 62.895 63.200 0.059 0.000 0.785 597 S HN 0.784 nan 8.310 nan 0.000 0.495 598 E N 2.980 123.231 120.200 0.086 0.000 2.085 598 E HA -0.227 4.124 4.350 0.001 0.000 0.194 598 E C 1.203 177.855 176.600 0.087 0.000 0.994 598 E CA 1.687 58.152 56.400 0.109 0.000 0.801 598 E CB -0.097 29.708 29.700 0.176 0.000 0.743 598 E HN 0.849 nan 8.360 nan 0.000 0.453 599 N N -1.466 117.278 118.700 0.074 0.000 2.118 599 N HA 0.113 4.853 4.740 0.001 0.000 0.226 599 N C -0.227 175.286 175.510 0.005 0.000 1.305 599 N CA 0.103 53.158 53.050 0.008 0.000 0.890 599 N CB 0.400 38.849 38.487 -0.063 0.000 1.118 599 N HN 0.021 nan 8.380 nan 0.000 0.511 600 R N -0.682 119.835 120.500 0.030 0.000 3.875 600 R HA -0.169 4.171 4.340 0.001 0.000 0.321 600 R C -1.007 175.306 176.300 0.022 0.000 1.196 600 R CA 1.055 57.170 56.100 0.025 0.000 0.868 600 R CB -1.643 28.664 30.300 0.012 0.000 1.333 600 R HN 0.405 nan 8.270 nan 0.000 0.522 601 K N -0.215 120.203 120.400 0.030 0.000 2.208 601 K HA 0.711 5.031 4.320 0.001 0.000 0.247 601 K C -0.300 176.330 176.600 0.049 0.000 0.953 601 K CA -0.285 56.020 56.287 0.029 0.000 0.837 601 K CB 1.828 34.338 32.500 0.015 0.000 1.131 601 K HN 0.127 nan 8.250 nan 0.000 0.431 602 A N 1.894 124.742 122.820 0.046 0.000 2.331 602 A HA 0.228 4.548 4.320 0.001 0.000 0.283 602 A C 0.371 177.985 177.584 0.051 0.000 1.142 602 A CA -0.071 51.999 52.037 0.054 0.000 0.812 602 A CB -0.001 19.029 19.000 0.051 0.000 1.074 602 A HN 0.911 nan 8.150 nan 0.000 0.497 603 N N -0.287 118.443 118.700 0.049 0.000 2.727 603 N HA -0.178 4.563 4.740 0.001 0.000 0.249 603 N C -0.471 175.071 175.510 0.053 0.000 1.048 603 N CA 1.415 54.489 53.050 0.040 0.000 0.714 603 N CB -1.040 37.471 38.487 0.040 0.000 0.959 603 N HN 0.792 nan 8.380 nan 0.000 0.544 604 S N -0.442 115.308 115.700 0.083 0.000 2.571 604 S HA 0.580 5.051 4.470 0.001 0.000 0.238 604 S C -0.689 174.057 174.600 0.243 0.000 1.153 604 S CA -0.062 58.230 58.200 0.153 0.000 1.141 604 S CB 0.246 63.528 63.200 0.137 0.000 1.133 604 S HN 0.565 nan 8.310 nan 0.000 0.464 605 V N 2.341 122.326 119.914 0.119 0.000 2.864 605 V HA 0.695 4.815 4.120 0.001 0.000 0.314 605 V C 0.016 175.885 176.094 -0.376 0.000 1.073 605 V CA -1.385 60.899 62.300 -0.026 0.000 0.956 605 V CB 1.693 33.465 31.823 -0.084 0.000 1.023 605 V HN 0.784 nan 8.190 nan 0.000 0.435 606 R N 3.035 123.073 120.500 -0.770 0.000 2.316 606 R HA 0.171 4.511 4.340 0.001 0.000 0.314 606 R C -0.011 176.032 176.300 -0.428 0.000 1.069 606 R CA -0.237 55.252 56.100 -1.020 0.000 0.959 606 R CB 0.305 29.971 30.300 -1.056 0.000 0.987 606 R HN 0.959 nan 8.270 nan 0.000 0.446 607 N N 3.499 121.983 118.700 -0.359 0.000 2.431 607 N HA -0.019 4.722 4.740 0.001 0.000 0.265 607 N C 0.474 175.918 175.510 -0.110 0.000 1.184 607 N CA 0.344 53.258 53.050 -0.227 0.000 0.943 607 N CB 1.504 39.775 38.487 -0.360 0.000 1.080 607 N HN 0.701 nan 8.380 nan 0.000 0.477 608 A N 3.650 126.510 122.820 0.067 0.000 2.070 608 A HA -0.072 4.248 4.320 0.001 0.000 0.220 608 A C 1.862 179.450 177.584 0.006 0.000 1.159 608 A CA 1.197 53.243 52.037 0.016 0.000 0.656 608 A CB -0.002 19.000 19.000 0.004 0.000 0.800 608 A HN 0.543 nan 8.150 nan 0.000 0.453 609 V N -0.583 119.349 119.914 0.030 0.000 2.492 609 V HA -0.099 4.022 4.120 0.001 0.000 0.241 609 V C 2.771 178.833 176.094 -0.053 0.000 1.041 609 V CA 2.099 64.409 62.300 0.018 0.000 1.057 609 V CB -0.739 31.160 31.823 0.127 0.000 0.711 609 V HN 0.756 nan 8.190 nan 0.000 0.468 610 T N -3.797 110.669 114.554 -0.147 0.000 3.051 610 T HA -0.034 4.316 4.350 0.001 0.000 0.255 610 T C 0.983 175.621 174.700 -0.103 0.000 1.085 610 T CA 0.294 62.309 62.100 -0.141 0.000 1.109 610 T CB 0.036 68.763 68.868 -0.235 0.000 0.921 610 T HN 0.352 nan 8.240 nan 0.000 0.488 611 Q N 0.561 120.291 119.800 -0.117 0.000 2.494 611 Q HA -0.116 4.225 4.340 0.001 0.000 0.272 611 Q C -0.836 175.127 176.000 -0.061 0.000 1.145 611 Q CA 0.854 56.602 55.803 -0.092 0.000 0.943 611 Q CB -1.581 27.135 28.738 -0.036 0.000 1.338 611 Q HN 0.679 nan 8.270 nan 0.000 0.492 612 E N -0.369 119.767 120.200 -0.107 0.000 2.202 612 E HA 0.485 4.836 4.350 0.001 0.000 0.272 612 E C -0.263 176.291 176.600 -0.076 0.000 0.951 612 E CA -0.688 55.693 56.400 -0.031 0.000 0.813 612 E CB 0.705 30.374 29.700 -0.052 0.000 1.151 612 E HN -0.022 nan 8.360 nan 0.000 0.398 613 F N 0.634 120.551 119.950 -0.055 0.000 2.404 613 F HA 0.530 5.058 4.527 0.001 0.000 0.345 613 F C 1.051 176.816 175.800 -0.058 0.000 1.110 613 F CA 0.329 58.298 58.000 -0.052 0.000 1.130 613 F CB 1.588 40.569 39.000 -0.032 0.000 1.129 613 F HN 0.440 nan 8.300 nan 0.000 0.500 614 G N 3.014 111.845 108.800 0.052 0.000 2.721 614 G HA2 0.558 4.519 3.960 0.001 0.000 0.296 614 G HA3 0.558 4.519 3.960 0.001 0.000 0.296 614 G C -3.272 171.623 174.900 -0.007 0.000 1.383 614 G CA -1.630 43.477 45.100 0.012 0.000 0.788 614 G HN 0.221 nan 8.290 nan 0.000 0.500 615 P HA 0.165 nan 4.420 nan 0.000 0.266 615 P C 1.181 178.441 177.300 -0.066 0.000 1.195 615 P CA -0.338 62.752 63.100 -0.017 0.000 0.768 615 P CB 1.177 32.879 31.700 0.003 0.000 0.838 616 V N 5.597 125.473 119.914 -0.065 0.000 2.295 616 V HA -0.158 3.962 4.120 0.001 0.000 0.246 616 V C -0.785 175.224 176.094 -0.143 0.000 1.049 616 V CA 2.295 64.523 62.300 -0.121 0.000 1.024 616 V CB -2.249 29.521 31.823 -0.088 0.000 0.648 616 V HN 0.641 nan 8.190 nan 0.000 0.447 617 P HA -0.128 nan 4.420 nan 0.000 0.215 617 P C 0.984 178.253 177.300 -0.052 0.000 1.153 617 P CA 1.644 64.716 63.100 -0.047 0.000 0.853 617 P CB -0.113 31.583 31.700 -0.007 0.000 0.788 618 D N -1.422 118.947 120.400 -0.052 0.000 2.117 618 D HA -0.114 4.526 4.640 0.001 0.000 0.197 618 D C 1.845 178.083 176.300 -0.104 0.000 0.987 618 D CA 1.476 55.450 54.000 -0.043 0.000 0.829 618 D CB -1.032 39.749 40.800 -0.033 0.000 0.961 618 D HN 0.146 nan 8.370 nan 0.000 0.460 619 T N 0.031 114.452 114.554 -0.221 0.000 2.777 619 T HA -0.081 4.269 4.350 0.001 0.000 0.266 619 T C 2.060 176.410 174.700 -0.584 0.000 1.040 619 T CA 1.242 63.078 62.100 -0.440 0.000 1.141 619 T CB -0.373 68.206 68.868 -0.480 0.000 0.868 619 T HN 0.194 nan 8.240 nan 0.000 0.444 620 A N 1.913 124.475 122.820 -0.429 0.000 1.902 620 A HA -0.105 4.215 4.320 0.001 0.000 0.217 620 A C 2.389 179.976 177.584 0.005 0.000 1.181 620 A CA 1.274 53.117 52.037 -0.322 0.000 0.623 620 A CB -0.459 18.377 19.000 -0.273 0.000 0.818 620 A HN 0.395 nan 8.150 nan 0.000 0.443 621 R N -2.295 118.208 120.500 0.006 0.000 2.092 621 R HA -0.129 4.211 4.340 0.001 0.000 0.231 621 R C 2.136 178.481 176.300 0.075 0.000 1.119 621 R CA 1.550 57.680 56.100 0.049 0.000 0.970 621 R CB -0.510 29.813 30.300 0.037 0.000 0.864 621 R HN 0.700 nan 8.270 nan 0.000 0.440 622 Y N 0.459 120.729 120.300 -0.051 0.000 2.145 622 Y HA -0.305 4.246 4.550 0.001 0.000 0.286 622 Y C 1.844 177.880 175.900 0.226 0.000 1.145 622 Y CA 1.540 59.675 58.100 0.057 0.000 1.148 622 Y CB -0.224 38.196 38.460 -0.067 0.000 0.981 622 Y HN -0.019 nan 8.280 nan 0.000 0.507 623 Y N 0.736 121.218 120.300 0.303 0.000 2.181 623 Y HA -0.218 4.332 4.550 0.001 0.000 0.288 623 Y C 2.593 178.597 175.900 0.174 0.000 1.146 623 Y CA 1.434 59.686 58.100 0.253 0.000 1.164 623 Y CB -1.082 37.547 38.460 0.282 0.000 0.982 623 Y HN 0.159 nan 8.280 nan 0.000 0.515 624 K N 0.483 121.070 120.400 0.312 0.000 2.057 624 K HA -0.259 4.061 4.320 0.001 0.000 0.207 624 K C 2.227 178.829 176.600 0.004 0.000 1.049 624 K CA 1.612 57.989 56.287 0.151 0.000 0.931 624 K CB -0.208 32.350 32.500 0.097 0.000 0.714 624 K HN 0.392 nan 8.250 nan 0.000 0.440 625 Q N -0.302 119.441 119.800 -0.094 0.000 2.135 625 Q HA -0.192 4.148 4.340 0.001 0.000 0.204 625 Q C 1.103 176.833 176.000 -0.449 0.000 0.981 625 Q CA 1.420 57.039 55.803 -0.307 0.000 0.856 625 Q CB 0.036 28.497 28.738 -0.461 0.000 0.902 625 Q HN 0.519 nan 8.270 nan 0.000 0.425 626 H N -1.696 117.290 119.070 -0.141 0.000 2.526 626 H HA 0.175 4.731 4.556 0.000 0.000 0.274 626 H C 0.838 176.149 175.328 -0.028 0.000 0.999 626 H CA 0.718 56.697 56.048 -0.115 0.000 1.157 626 H CB 0.788 30.433 29.762 -0.194 0.000 1.407 626 H HN 0.537 nan 8.280 nan 0.000 0.568 627 G N 1.665 110.499 108.800 0.058 0.000 2.160 627 G HA2 -0.274 3.686 3.960 0.001 0.000 0.251 627 G HA3 -0.274 3.686 3.960 0.001 0.000 0.251 627 G C 0.192 175.134 174.900 0.070 0.000 1.008 627 G CA 0.032 45.161 45.100 0.048 0.000 0.724 627 G HN 0.367 nan 8.290 nan 0.000 0.514 628 I N 0.849 121.494 120.570 0.125 0.000 2.301 628 I HA 0.322 4.492 4.170 0.001 0.000 0.292 628 I C 1.015 177.212 176.117 0.132 0.000 1.046 628 I CA -0.674 60.673 61.300 0.077 0.000 1.282 628 I CB 0.724 38.731 38.000 0.012 0.000 1.409 628 I HN 0.035 nan 8.210 nan 0.000 0.484 629 R N 7.254 127.785 120.500 0.052 0.000 2.390 629 R HA 0.342 4.682 4.340 0.001 0.000 0.291 629 R C -0.726 175.625 176.300 0.084 0.000 1.070 629 R CA -0.084 56.019 56.100 0.004 0.000 1.014 629 R CB 0.967 31.242 30.300 -0.042 0.000 1.007 629 R HN 0.642 nan 8.270 nan 0.000 0.466 630 W N 1.022 122.328 121.300 0.010 0.000 2.992 630 W HA 0.742 5.402 4.660 0.000 0.000 0.342 630 W C -1.574 174.960 176.519 0.025 0.000 1.176 630 W CA -1.103 56.249 57.345 0.012 0.000 1.118 630 W CB 0.556 30.075 29.460 0.099 0.000 1.457 630 W HN 0.217 nan 8.180 nan 0.000 0.573 631 V N 1.297 121.507 119.914 0.494 0.000 3.007 631 V HA 0.547 4.668 4.120 0.001 0.000 0.311 631 V C -0.772 175.546 176.094 0.373 0.000 1.120 631 V CA -0.907 61.575 62.300 0.303 0.000 0.980 631 V CB 2.444 34.340 31.823 0.122 0.000 1.033 631 V HN 0.430 nan 8.190 nan 0.000 0.429 632 V N 5.038 125.113 119.914 0.268 0.000 2.513 632 V HA 0.559 4.679 4.120 0.001 0.000 0.299 632 V C -0.650 175.472 176.094 0.046 0.000 1.035 632 V CA -0.639 61.768 62.300 0.178 0.000 0.889 632 V CB 1.875 33.821 31.823 0.205 0.000 0.988 632 V HN 0.538 nan 8.190 nan 0.000 0.440 633 I N 3.766 124.363 120.570 0.045 0.000 2.378 633 I HA 0.692 4.862 4.170 0.001 0.000 0.291 633 I C 0.588 176.760 176.117 0.091 0.000 0.992 633 I CA 0.083 61.416 61.300 0.055 0.000 1.154 633 I CB 1.183 39.233 38.000 0.084 0.000 1.315 633 I HN 0.740 nan 8.210 nan 0.000 0.448 634 G N 4.260 113.085 108.800 0.042 0.000 2.816 634 G HA2 0.471 4.431 3.960 0.001 0.000 0.288 634 G HA3 0.471 4.431 3.960 0.001 0.000 0.288 634 G C -0.715 174.270 174.900 0.142 0.000 1.334 634 G CA -0.182 44.964 45.100 0.076 0.000 0.978 634 G HN 0.460 nan 8.290 nan 0.000 0.493 635 D N -0.891 119.526 120.400 0.029 0.000 2.390 635 D HA 0.239 4.879 4.640 0.001 0.000 0.279 635 D C 0.052 176.270 176.300 -0.137 0.000 1.193 635 D CA -0.266 53.610 54.000 -0.207 0.000 1.112 635 D CB 0.691 41.358 40.800 -0.223 0.000 1.182 635 D HN 0.248 nan 8.370 nan 0.000 0.569 636 E N 0.918 121.037 120.200 -0.135 0.000 2.343 636 E HA 0.062 4.413 4.350 0.001 0.000 0.269 636 E C -0.068 176.501 176.600 -0.053 0.000 1.047 636 E CA -0.106 56.240 56.400 -0.089 0.000 0.874 636 E CB 0.693 30.345 29.700 -0.081 0.000 1.033 636 E HN 0.436 nan 8.360 nan 0.000 0.409 637 N N 2.363 121.047 118.700 -0.028 0.000 2.727 637 N HA -0.278 4.463 4.740 0.001 0.000 0.249 637 N C -0.957 174.563 175.510 0.018 0.000 1.048 637 N CA 0.048 53.104 53.050 0.010 0.000 0.714 637 N CB -0.836 37.650 38.487 -0.002 0.000 0.959 637 N HN 0.444 nan 8.380 nan 0.000 0.544 638 Y N 0.234 120.464 120.300 -0.117 0.000 2.526 638 Y HA 0.293 4.843 4.550 0.001 0.000 0.330 638 Y C 1.462 177.406 175.900 0.073 0.000 1.156 638 Y CA 1.701 59.750 58.100 -0.085 0.000 1.419 638 Y CB 0.697 39.039 38.460 -0.197 0.000 1.250 638 Y HN 0.301 nan 8.280 nan 0.000 0.540 639 G N 3.831 112.344 108.800 -0.479 0.000 2.141 639 G HA2 -0.291 3.669 3.960 0.001 0.000 0.231 639 G HA3 -0.291 3.669 3.960 0.001 0.000 0.231 639 G C 0.084 174.914 174.900 -0.117 0.000 0.984 639 G CA 0.034 44.891 45.100 -0.404 0.000 0.660 639 G HN 0.830 nan 8.290 nan 0.000 0.525 640 E N 0.165 120.307 120.200 -0.097 0.000 2.502 640 E HA 0.403 4.753 4.350 0.001 0.000 0.261 640 E C 1.234 177.872 176.600 0.063 0.000 0.974 640 E CA 1.421 57.819 56.400 -0.003 0.000 0.936 640 E CB 0.036 29.700 29.700 -0.060 0.000 0.926 640 E HN 1.741 nan 8.360 nan 0.000 0.459 641 G N 2.789 111.686 108.800 0.162 0.000 2.408 641 G HA2 -0.241 3.719 3.960 0.001 0.000 0.204 641 G HA3 -0.241 3.719 3.960 0.001 0.000 0.204 641 G C -0.106 174.868 174.900 0.123 0.000 1.186 641 G CA -0.224 45.022 45.100 0.244 0.000 1.139 641 G HN 0.903 nan 8.290 nan 0.000 0.563 642 S N -0.020 115.761 115.700 0.136 0.000 2.554 642 S HA 0.352 4.822 4.470 0.001 0.000 0.290 642 S C 1.825 176.480 174.600 0.091 0.000 1.309 642 S CA 1.232 59.487 58.200 0.091 0.000 1.047 642 S CB 0.676 63.949 63.200 0.121 0.000 0.828 642 S HN 2.203 nan 8.310 nan 0.000 0.509 643 S N 3.302 119.051 115.700 0.082 0.000 2.593 643 S HA 0.046 4.516 4.470 0.001 0.000 0.217 643 S C 0.659 175.341 174.600 0.136 0.000 0.966 643 S CA -0.325 57.938 58.200 0.105 0.000 0.914 643 S CB -0.492 62.754 63.200 0.078 0.000 0.776 643 S HN 0.906 nan 8.310 nan 0.000 0.523 644 R N 2.391 122.979 120.500 0.146 0.000 2.614 644 R HA -0.078 4.262 4.340 0.001 0.000 0.335 644 R C 0.787 177.234 176.300 0.244 0.000 0.859 644 R CA 0.792 57.019 56.100 0.211 0.000 1.123 644 R CB -0.355 30.058 30.300 0.189 0.000 0.887 644 R HN 0.655 nan 8.270 nan 0.000 0.407 645 E N 2.425 122.745 120.200 0.200 0.000 2.472 645 E HA -0.211 4.139 4.350 0.001 0.000 0.200 645 E C 0.283 176.923 176.600 0.067 0.000 1.046 645 E CA 1.028 57.491 56.400 0.105 0.000 0.871 645 E CB -0.170 29.533 29.700 0.006 0.000 0.806 645 E HN 0.813 nan 8.360 nan 0.000 0.533 646 H N 0.930 120.071 119.070 0.119 0.000 2.456 646 H HA 0.002 4.558 4.556 0.001 0.000 0.296 646 H C 1.870 177.286 175.328 0.147 0.000 1.079 646 H CA 1.501 57.622 56.048 0.122 0.000 1.322 646 H CB 0.018 29.844 29.762 0.105 0.000 1.388 646 H HN 0.121 nan 8.280 nan 0.000 0.538 647 S N -0.572 115.287 115.700 0.265 0.000 2.474 647 S HA -0.011 4.460 4.470 0.001 0.000 0.235 647 S C 2.136 176.962 174.600 0.377 0.000 0.997 647 S CA 0.720 59.083 58.200 0.271 0.000 0.949 647 S CB 0.026 63.349 63.200 0.204 0.000 0.766 647 S HN 0.622 nan 8.310 nan 0.000 0.517 648 A N 0.428 123.415 122.820 0.278 0.000 2.035 648 A HA 0.386 4.706 4.320 0.001 0.000 0.208 648 A C 1.856 179.503 177.584 0.104 0.000 1.206 648 A CA 0.025 52.163 52.037 0.168 0.000 0.773 648 A CB -0.269 18.750 19.000 0.033 0.000 0.878 648 A HN 0.381 nan 8.150 nan 0.000 0.469 649 L N -0.164 121.124 121.223 0.109 0.000 2.056 649 L HA -0.166 4.174 4.340 0.001 0.000 0.207 649 L C 2.501 179.498 176.870 0.213 0.000 1.078 649 L CA 1.524 56.452 54.840 0.147 0.000 0.749 649 L CB -0.419 41.690 42.059 0.084 0.000 0.901 649 L HN 0.453 nan 8.230 nan 0.000 0.433 650 E N -0.055 120.277 120.200 0.221 0.000 2.051 650 E HA -0.182 4.168 4.350 0.001 0.000 0.192 650 E C -0.699 176.092 176.600 0.318 0.000 0.991 650 E CA 1.267 57.840 56.400 0.290 0.000 0.799 650 E CB -0.889 28.955 29.700 0.241 0.000 0.748 650 E HN 0.464 nan 8.360 nan 0.000 0.449 651 P HA -0.171 nan 4.420 nan 0.000 0.218 651 P C 1.223 178.532 177.300 0.014 0.000 1.149 651 P CA 1.239 64.522 63.100 0.304 0.000 0.817 651 P CB 0.102 32.001 31.700 0.332 0.000 0.785 652 R N -0.369 120.084 120.500 -0.077 0.000 2.075 652 R HA -0.103 4.237 4.340 0.001 0.000 0.232 652 R C 2.208 178.410 176.300 -0.163 0.000 1.126 652 R CA 1.230 57.133 56.100 -0.329 0.000 0.963 652 R CB -1.838 28.025 30.300 -0.729 0.000 0.858 652 R HN 0.040 nan 8.270 nan 0.000 0.435 653 F N 0.447 120.387 119.950 -0.016 0.000 2.134 653 F HA -0.020 4.507 4.527 0.001 0.000 0.299 653 F C 1.234 177.126 175.800 0.154 0.000 1.097 653 F CA 1.366 59.483 58.000 0.196 0.000 1.264 653 F CB -0.071 39.082 39.000 0.255 0.000 1.001 653 F HN 0.015 nan 8.300 nan 0.000 0.479 654 L N -0.224 121.035 121.223 0.059 0.000 2.645 654 L HA 0.250 4.590 4.340 0.001 0.000 0.234 654 L C 1.386 178.402 176.870 0.244 0.000 1.165 654 L CA 0.614 55.516 54.840 0.103 0.000 0.944 654 L CB -0.901 41.358 42.059 0.333 0.000 1.149 654 L HN 0.481 nan 8.230 nan 0.000 0.446 655 G N -0.365 108.388 108.800 -0.078 0.000 2.144 655 G HA2 -0.200 3.761 3.960 0.001 0.000 0.218 655 G HA3 -0.200 3.761 3.960 0.001 0.000 0.218 655 G C 0.523 174.859 174.900 -0.940 0.000 0.988 655 G CA -0.287 44.651 45.100 -0.269 0.000 0.659 655 G HN 0.510 nan 8.290 nan 0.000 0.522 656 G N -1.006 106.920 108.800 -1.456 0.000 2.527 656 G HA2 0.535 4.496 3.960 0.001 0.000 0.248 656 G HA3 0.535 4.496 3.960 0.001 0.000 0.248 656 G C 0.566 175.018 174.900 -0.747 0.000 1.231 656 G CA 0.172 44.172 45.100 -1.833 0.000 0.838 656 G HN 0.322 nan 8.290 nan 0.000 0.570 657 R N -0.237 119.963 120.500 -0.500 0.000 2.470 657 R HA 0.511 4.851 4.340 0.001 0.000 0.210 657 R C 0.570 176.793 176.300 -0.129 0.000 0.873 657 R CA 0.884 56.844 56.100 -0.232 0.000 1.015 657 R CB 0.787 30.988 30.300 -0.165 0.000 1.348 657 R HN 0.781 nan 8.270 nan 0.000 0.650 658 A N 0.087 122.844 122.820 -0.104 0.000 2.612 658 A HA 0.635 4.955 4.320 0.001 0.000 0.293 658 A C -1.723 175.866 177.584 0.009 0.000 1.075 658 A CA -0.623 51.383 52.037 -0.052 0.000 0.680 658 A CB 1.358 20.309 19.000 -0.082 0.000 1.279 658 A HN 0.003 nan 8.150 nan 0.000 0.411 659 I N 1.691 122.287 120.570 0.042 0.000 2.478 659 I HA 0.435 4.605 4.170 0.001 0.000 0.287 659 I C -0.968 175.174 176.117 0.042 0.000 1.042 659 I CA -0.158 61.176 61.300 0.057 0.000 1.067 659 I CB 1.232 39.326 38.000 0.157 0.000 1.233 659 I HN 0.529 nan 8.210 nan 0.000 0.431 660 I N 5.964 126.466 120.570 -0.113 0.000 2.389 660 I HA 0.464 4.634 4.170 0.001 0.000 0.288 660 I C 0.234 176.120 176.117 -0.385 0.000 0.999 660 I CA -0.201 60.937 61.300 -0.269 0.000 1.129 660 I CB 2.200 40.001 38.000 -0.332 0.000 1.288 660 I HN 0.664 nan 8.210 nan 0.000 0.444 661 T N 0.878 115.141 114.554 -0.485 0.000 2.838 661 T HA 0.451 4.801 4.350 0.001 0.000 0.292 661 T C 0.492 175.112 174.700 -0.133 0.000 1.113 661 T CA -0.892 60.996 62.100 -0.353 0.000 1.008 661 T CB 2.199 70.631 68.868 -0.726 0.000 1.259 661 T HN 0.457 nan 8.240 nan 0.000 0.520 662 K N 0.440 120.876 120.400 0.060 0.000 2.103 662 K HA 0.184 4.505 4.320 0.001 0.000 0.204 662 K C 0.771 177.356 176.600 -0.025 0.000 1.052 662 K CA 1.077 57.434 56.287 0.117 0.000 0.945 662 K CB -0.053 32.450 32.500 0.004 0.000 0.722 662 K HN 0.807 nan 8.250 nan 0.000 0.443 663 S N -0.894 114.719 115.700 -0.144 0.000 2.588 663 S HA 0.539 5.009 4.470 0.001 0.000 0.269 663 S C -1.238 173.220 174.600 -0.237 0.000 1.157 663 S CA -1.130 57.007 58.200 -0.106 0.000 0.824 663 S CB 0.910 64.111 63.200 0.002 0.000 1.126 663 S HN -0.023 nan 8.310 nan 0.000 0.464 664 F N 0.882 120.906 119.950 0.123 0.000 2.522 664 F HA 0.802 5.329 4.527 0.000 0.000 0.324 664 F C 0.771 176.653 175.800 0.138 0.000 1.077 664 F CA -0.407 57.700 58.000 0.177 0.000 0.944 664 F CB 1.955 41.059 39.000 0.173 0.000 1.175 664 F HN 0.997 nan 8.300 nan 0.000 0.468 665 A N 2.964 126.000 122.820 0.361 0.000 2.371 665 A HA 0.320 4.640 4.320 0.001 0.000 0.257 665 A C 1.600 179.342 177.584 0.264 0.000 1.089 665 A CA -0.398 51.785 52.037 0.244 0.000 0.794 665 A CB 0.435 19.544 19.000 0.182 0.000 1.029 665 A HN 1.003 nan 8.150 nan 0.000 0.488 666 R N 1.362 121.970 120.500 0.179 0.000 2.097 666 R HA -0.177 4.163 4.340 0.001 0.000 0.236 666 R C 1.474 177.855 176.300 0.136 0.000 1.135 666 R CA 2.420 58.605 56.100 0.141 0.000 0.934 666 R CB -0.434 29.932 30.300 0.111 0.000 0.846 666 R HN 0.836 nan 8.270 nan 0.000 0.431 667 I N -0.369 120.290 120.570 0.150 0.000 2.315 667 I HA -0.243 3.927 4.170 0.001 0.000 0.248 667 I C 2.481 178.691 176.117 0.155 0.000 1.117 667 I CA 1.433 62.820 61.300 0.146 0.000 1.404 667 I CB -0.451 37.633 38.000 0.140 0.000 1.071 667 I HN 0.353 nan 8.210 nan 0.000 0.419 668 H N 0.921 120.055 119.070 0.108 0.000 2.389 668 H HA -0.179 4.377 4.556 0.001 0.000 0.299 668 H C 2.136 177.495 175.328 0.052 0.000 1.081 668 H CA 1.874 57.991 56.048 0.116 0.000 1.345 668 H CB 0.050 29.920 29.762 0.180 0.000 1.393 668 H HN 0.314 nan 8.280 nan 0.000 0.520 669 E N -0.898 119.259 120.200 -0.072 0.000 2.110 669 E HA -0.154 4.196 4.350 0.001 0.000 0.193 669 E C 1.702 178.143 176.600 -0.265 0.000 0.988 669 E CA 1.600 57.779 56.400 -0.368 0.000 0.804 669 E CB 0.076 29.596 29.700 -0.300 0.000 0.745 669 E HN 0.501 nan 8.360 nan 0.000 0.458 670 T N 0.567 115.062 114.554 -0.100 0.000 2.777 670 T HA -0.107 4.243 4.350 0.001 0.000 0.266 670 T C 1.495 176.164 174.700 -0.052 0.000 1.040 670 T CA 1.463 63.540 62.100 -0.037 0.000 1.141 670 T CB -0.374 68.530 68.868 0.060 0.000 0.868 670 T HN 0.309 nan 8.240 nan 0.000 0.444 671 N N 0.763 119.420 118.700 -0.071 0.000 2.166 671 N HA 0.014 4.754 4.740 0.001 0.000 0.186 671 N C 1.788 177.222 175.510 -0.127 0.000 1.019 671 N CA 0.698 53.705 53.050 -0.072 0.000 0.856 671 N CB -0.260 38.218 38.487 -0.015 0.000 0.993 671 N HN 0.277 nan 8.380 nan 0.000 0.426 672 L N 1.291 122.369 121.223 -0.242 0.000 2.017 672 L HA -0.164 4.176 4.340 0.001 0.000 0.208 672 L C 2.196 179.022 176.870 -0.075 0.000 1.073 672 L CA 1.291 56.012 54.840 -0.198 0.000 0.745 672 L CB -0.290 41.585 42.059 -0.308 0.000 0.894 672 L HN 0.120 nan 8.230 nan 0.000 0.432 673 K N -0.266 120.087 120.400 -0.078 0.000 2.057 673 K HA -0.157 4.164 4.320 0.001 0.000 0.207 673 K C 2.163 178.901 176.600 0.230 0.000 1.049 673 K CA 0.948 57.273 56.287 0.063 0.000 0.931 673 K CB -0.072 32.342 32.500 -0.142 0.000 0.714 673 K HN 0.084 nan 8.250 nan 0.000 0.440 674 K N 0.788 121.203 120.400 0.025 0.000 2.152 674 K HA -0.119 4.201 4.320 0.001 0.000 0.206 674 K C 1.695 178.227 176.600 -0.115 0.000 1.048 674 K CA 1.271 57.408 56.287 -0.250 0.000 0.933 674 K CB 0.027 32.348 32.500 -0.297 0.000 0.721 674 K HN 0.188 nan 8.250 nan 0.000 0.447 675 Q N -0.658 119.128 119.800 -0.022 0.000 2.280 675 Q HA 0.139 4.479 4.340 0.001 0.000 0.202 675 Q C 0.699 176.683 176.000 -0.027 0.000 0.903 675 Q CA 0.423 56.230 55.803 0.007 0.000 0.948 675 Q CB 0.600 29.320 28.738 -0.029 0.000 1.058 675 Q HN 0.485 nan 8.270 nan 0.000 0.493 676 G N 0.697 109.551 108.800 0.091 0.000 2.143 676 G HA2 -0.270 3.690 3.960 0.001 0.000 0.249 676 G HA3 -0.270 3.690 3.960 0.001 0.000 0.249 676 G C 0.017 175.019 174.900 0.171 0.000 0.981 676 G CA 0.134 45.324 45.100 0.149 0.000 0.665 676 G HN 0.310 nan 8.290 nan 0.000 0.528 677 L N -0.421 120.869 121.223 0.111 0.000 2.387 677 L HA 0.672 5.013 4.340 0.001 0.000 0.266 677 L C 0.890 177.853 176.870 0.154 0.000 1.059 677 L CA -1.081 53.803 54.840 0.074 0.000 0.801 677 L CB 1.245 43.289 42.059 -0.025 0.000 1.223 677 L HN 0.008 nan 8.230 nan 0.000 0.456 678 L N 3.830 125.080 121.223 0.045 0.000 2.272 678 L HA 0.348 4.688 4.340 0.001 0.000 0.284 678 L C -2.202 174.679 176.870 0.019 0.000 1.045 678 L CA -1.655 53.182 54.840 -0.005 0.000 0.842 678 L CB 0.994 42.891 42.059 -0.271 0.000 1.224 678 L HN 0.267 nan 8.230 nan 0.000 0.430 679 P HA 0.298 nan 4.420 nan 0.000 0.287 679 P C -1.031 176.332 177.300 0.105 0.000 1.307 679 P CA -0.109 62.917 63.100 -0.123 0.000 0.777 679 P CB 1.038 32.311 31.700 -0.712 0.000 0.883 680 L N 3.324 124.687 121.223 0.234 0.000 2.381 680 L HA 0.634 4.975 4.340 0.001 0.000 0.268 680 L C 0.749 177.685 176.870 0.111 0.000 0.997 680 L CA -0.615 54.310 54.840 0.142 0.000 0.818 680 L CB 2.478 44.514 42.059 -0.038 0.000 1.310 680 L HN 0.308 nan 8.230 nan 0.000 0.416 681 T N -2.136 112.453 114.554 0.057 0.000 2.912 681 T HA 0.609 4.959 4.350 0.001 0.000 0.288 681 T C -0.346 174.290 174.700 -0.106 0.000 1.030 681 T CA -0.658 61.410 62.100 -0.054 0.000 1.020 681 T CB 1.159 70.079 68.868 0.088 0.000 1.056 681 T HN 0.092 nan 8.240 nan 0.000 0.480 682 F N 1.363 121.333 119.950 0.034 0.000 2.578 682 F HA 0.418 4.946 4.527 0.000 0.000 0.376 682 F C 1.788 177.603 175.800 0.025 0.000 1.085 682 F CA -0.403 57.614 58.000 0.028 0.000 1.260 682 F CB 0.127 39.143 39.000 0.027 0.000 1.095 682 F HN 0.888 nan 8.300 nan 0.000 0.573 683 A N 1.623 124.562 122.820 0.197 0.000 1.969 683 A HA -0.120 4.200 4.320 0.001 0.000 0.218 683 A C 0.764 178.416 177.584 0.113 0.000 1.169 683 A CA 1.474 53.581 52.037 0.117 0.000 0.635 683 A CB -0.345 18.704 19.000 0.081 0.000 0.810 683 A HN 0.643 nan 8.150 nan 0.000 0.445 684 D N -1.416 119.063 120.400 0.131 0.000 2.440 684 D HA 0.295 4.935 4.640 0.001 0.000 0.239 684 D C -2.023 174.302 176.300 0.042 0.000 1.084 684 D CA -2.296 51.745 54.000 0.068 0.000 0.843 684 D CB 1.625 42.443 40.800 0.030 0.000 1.097 684 D HN -0.012 nan 8.370 nan 0.000 0.531 685 P HA -0.122 nan 4.420 nan 0.000 0.223 685 P C 0.934 178.110 177.300 -0.206 0.000 1.144 685 P CA 0.559 63.620 63.100 -0.064 0.000 0.783 685 P CB 0.255 31.945 31.700 -0.018 0.000 0.771 686 A N 0.130 122.867 122.820 -0.139 0.000 2.119 686 A HA -0.112 4.208 4.320 0.001 0.000 0.217 686 A C 1.776 179.244 177.584 -0.195 0.000 1.153 686 A CA 1.159 53.121 52.037 -0.126 0.000 0.692 686 A CB -0.954 18.005 19.000 -0.068 0.000 0.799 686 A HN 0.030 nan 8.150 nan 0.000 0.458 687 D N -1.528 118.696 120.400 -0.293 0.000 2.351 687 D HA -0.146 4.494 4.640 0.001 0.000 0.216 687 D C 1.294 177.235 176.300 -0.599 0.000 0.968 687 D CA 0.813 54.608 54.000 -0.343 0.000 0.899 687 D CB -0.364 40.321 40.800 -0.191 0.000 0.907 687 D HN 0.698 nan 8.370 nan 0.000 0.514 688 Y N 1.621 121.295 120.300 -1.044 0.000 2.256 688 Y HA -0.189 4.362 4.550 0.001 0.000 0.288 688 Y C 1.525 177.211 175.900 -0.357 0.000 1.155 688 Y CA 1.310 58.930 58.100 -0.800 0.000 1.203 688 Y CB -0.053 38.048 38.460 -0.598 0.000 0.980 688 Y HN -0.072 nan 8.280 nan 0.000 0.530 689 N N 0.256 118.839 118.700 -0.195 0.000 2.463 689 N HA -0.066 4.674 4.740 0.001 0.000 0.181 689 N C 1.235 176.592 175.510 -0.256 0.000 1.078 689 N CA 0.765 53.701 53.050 -0.191 0.000 0.902 689 N CB -0.066 38.387 38.487 -0.057 0.000 0.970 689 N HN 0.479 nan 8.380 nan 0.000 0.451 690 K N 0.272 120.532 120.400 -0.233 0.000 2.305 690 K HA 0.179 4.500 4.320 0.001 0.000 0.199 690 K C 0.403 176.840 176.600 -0.273 0.000 1.047 690 K CA 0.417 56.614 56.287 -0.150 0.000 0.976 690 K CB 0.521 33.002 32.500 -0.032 0.000 0.765 690 K HN 0.104 nan 8.250 nan 0.000 0.474 691 I N 1.458 121.802 120.570 -0.377 0.000 2.336 691 I HA 0.126 4.296 4.170 0.001 0.000 0.292 691 I C -0.512 175.290 176.117 -0.526 0.000 0.991 691 I CA -0.707 60.404 61.300 -0.314 0.000 1.227 691 I CB 1.100 39.016 38.000 -0.141 0.000 1.366 691 I HN 0.050 nan 8.210 nan 0.000 0.466 692 H N 6.117 125.185 119.070 -0.003 0.000 2.499 692 H HA 0.273 4.830 4.556 0.001 0.000 0.340 692 H C -1.867 173.457 175.328 -0.008 0.000 1.148 692 H CA -1.813 54.229 56.048 -0.009 0.000 1.215 692 H CB 0.906 30.687 29.762 0.031 0.000 1.529 692 H HN 0.315 nan 8.280 nan 0.000 0.510 693 P HA -0.231 nan 4.420 nan 0.000 0.218 693 P C 1.333 178.664 177.300 0.052 0.000 1.147 693 P CA 0.946 64.076 63.100 0.050 0.000 0.827 693 P CB 0.337 32.066 31.700 0.049 0.000 0.778 694 V N -1.274 118.689 119.914 0.082 0.000 3.541 694 V HA -0.009 4.111 4.120 0.001 0.000 0.267 694 V C 0.334 176.461 176.094 0.055 0.000 1.213 694 V CA 0.683 63.016 62.300 0.054 0.000 1.149 694 V CB -0.729 31.124 31.823 0.049 0.000 0.822 694 V HN 0.016 nan 8.190 nan 0.000 0.462 695 D N 1.491 121.942 120.400 0.083 0.000 2.362 695 D HA 0.252 4.892 4.640 0.001 0.000 0.242 695 D C 0.016 176.318 176.300 0.003 0.000 1.132 695 D CA 0.188 54.219 54.000 0.052 0.000 0.907 695 D CB 0.673 41.508 40.800 0.058 0.000 1.195 695 D HN 0.154 nan 8.370 nan 0.000 0.429 696 K N 1.138 121.524 120.400 -0.023 0.000 2.156 696 K HA 0.567 4.887 4.320 0.001 0.000 0.254 696 K C -0.279 176.295 176.600 -0.043 0.000 0.950 696 K CA -0.667 55.602 56.287 -0.030 0.000 0.849 696 K CB 1.645 34.126 32.500 -0.032 0.000 1.100 696 K HN 0.334 nan 8.250 nan 0.000 0.434 697 L N 0.953 122.156 121.223 -0.034 0.000 2.381 697 L HA 0.482 4.822 4.340 0.001 0.000 0.268 697 L C -0.153 176.695 176.870 -0.037 0.000 0.997 697 L CA -0.831 53.986 54.840 -0.039 0.000 0.818 697 L CB 2.253 44.295 42.059 -0.028 0.000 1.310 697 L HN 0.428 nan 8.230 nan 0.000 0.416 698 T N 3.532 118.060 114.554 -0.042 0.000 2.792 698 T HA 0.539 4.890 4.350 0.001 0.000 0.280 698 T C -0.291 174.378 174.700 -0.052 0.000 0.990 698 T CA -0.377 61.700 62.100 -0.039 0.000 0.960 698 T CB 1.335 70.184 68.868 -0.032 0.000 0.939 698 T HN 0.168 nan 8.240 nan 0.000 0.439 699 I N 3.959 124.490 120.570 -0.065 0.000 2.312 699 I HA 0.355 4.526 4.170 0.001 0.000 0.290 699 I C 0.440 176.499 176.117 -0.096 0.000 1.008 699 I CA -0.511 60.727 61.300 -0.104 0.000 1.226 699 I CB 1.017 38.921 38.000 -0.160 0.000 1.371 699 I HN 0.584 nan 8.210 nan 0.000 0.468 700 Q N 2.946 122.690 119.800 -0.092 0.000 2.297 700 Q HA 0.636 4.976 4.340 0.001 0.000 0.268 700 Q C 0.620 176.560 176.000 -0.100 0.000 1.045 700 Q CA -0.565 55.197 55.803 -0.069 0.000 0.861 700 Q CB 2.356 31.070 28.738 -0.040 0.000 1.344 700 Q HN 0.914 nan 8.270 nan 0.000 0.452 701 G N 0.542 109.303 108.800 -0.064 0.000 2.131 701 G HA2 -0.195 3.765 3.960 0.001 0.000 0.223 701 G HA3 -0.195 3.765 3.960 0.001 0.000 0.223 701 G C 0.284 175.115 174.900 -0.115 0.000 0.990 701 G CA -0.302 44.759 45.100 -0.066 0.000 0.671 701 G HN 0.443 nan 8.290 nan 0.000 0.521 702 L N 0.117 121.265 121.223 -0.124 0.000 2.275 702 L HA 0.135 4.475 4.340 0.001 0.000 0.215 702 L C 2.600 179.516 176.870 0.076 0.000 1.119 702 L CA 2.187 56.894 54.840 -0.221 0.000 0.790 702 L CB -0.814 41.146 42.059 -0.165 0.000 0.919 702 L HN 0.470 nan 8.230 nan 0.000 0.443 703 K N 0.293 120.823 120.400 0.216 0.000 2.148 703 K HA -0.116 4.204 4.320 0.001 0.000 0.204 703 K C 0.139 176.847 176.600 0.179 0.000 1.050 703 K CA 1.337 57.797 56.287 0.288 0.000 0.942 703 K CB -0.019 32.597 32.500 0.192 0.000 0.724 703 K HN 0.446 nan 8.250 nan 0.000 0.446 704 D N -0.479 119.986 120.400 0.110 0.000 2.957 704 D HA 0.018 4.658 4.640 0.001 0.000 0.352 704 D C -0.498 175.860 176.300 0.096 0.000 1.352 704 D CA -0.602 53.450 54.000 0.087 0.000 0.831 704 D CB -0.188 40.648 40.800 0.059 0.000 1.147 704 D HN -0.137 nan 8.370 nan 0.000 0.467 705 F N 2.460 122.333 119.950 -0.128 0.000 2.602 705 F HA 0.432 4.959 4.527 0.000 0.000 0.385 705 F C -0.020 175.678 175.800 -0.170 0.000 1.063 705 F CA -1.208 56.640 58.000 -0.254 0.000 1.233 705 F CB 0.052 38.787 39.000 -0.442 0.000 1.067 705 F HN 0.280 nan 8.300 nan 0.000 0.564 706 A N 7.368 130.240 122.820 0.086 0.000 2.574 706 A HA 0.663 4.983 4.320 0.001 0.000 0.297 706 A C -2.928 174.730 177.584 0.124 0.000 1.062 706 A CA -1.783 50.255 52.037 0.002 0.000 0.686 706 A CB 1.396 20.418 19.000 0.037 0.000 1.285 706 A HN 0.473 nan 8.150 nan 0.000 0.403 707 P HA 0.251 nan 4.420 nan 0.000 0.260 707 P C 1.146 178.477 177.300 0.051 0.000 1.172 707 P CA 2.324 65.480 63.100 0.092 0.000 0.760 707 P CB 0.516 32.225 31.700 0.015 0.000 0.773 708 G N 1.989 110.765 108.800 -0.040 0.000 2.212 708 G HA2 -0.290 3.670 3.960 0.001 0.000 0.266 708 G HA3 -0.290 3.670 3.960 0.001 0.000 0.266 708 G C 0.245 175.120 174.900 -0.042 0.000 0.978 708 G CA 0.047 45.099 45.100 -0.079 0.000 0.632 708 G HN 0.686 nan 8.290 nan 0.000 0.537 709 K N 1.867 122.302 120.400 0.058 0.000 2.234 709 K HA 0.448 4.769 4.320 0.001 0.000 0.277 709 K C -2.102 174.591 176.600 0.154 0.000 1.038 709 K CA -1.972 54.370 56.287 0.092 0.000 0.888 709 K CB 1.758 34.325 32.500 0.111 0.000 1.091 709 K HN 0.124 nan 8.250 nan 0.000 0.467 710 P HA 0.048 nan 4.420 nan 0.000 0.270 710 P C -0.531 176.812 177.300 0.072 0.000 1.223 710 P CA -0.134 63.018 63.100 0.087 0.000 0.785 710 P CB 0.816 32.538 31.700 0.036 0.000 0.923 711 L N 0.911 122.151 121.223 0.029 0.000 2.344 711 L HA 0.440 4.780 4.340 0.001 0.000 0.272 711 L C 1.008 177.847 176.870 -0.052 0.000 1.035 711 L CA -0.648 54.147 54.840 -0.074 0.000 0.807 711 L CB 1.593 43.525 42.059 -0.211 0.000 1.237 711 L HN 0.413 nan 8.230 nan 0.000 0.442 712 T N -1.724 112.795 114.554 -0.059 0.000 2.829 712 T HA 0.395 4.745 4.350 0.001 0.000 0.282 712 T C -0.527 174.144 174.700 -0.049 0.000 0.990 712 T CA -0.706 61.373 62.100 -0.035 0.000 1.028 712 T CB 1.473 70.327 68.868 -0.023 0.000 0.951 712 T HN 0.607 nan 8.240 nan 0.000 0.460 713 C N 4.355 123.637 119.300 -0.029 0.000 2.340 713 C HA 0.721 5.182 4.460 0.001 0.000 0.323 713 C C -0.591 174.386 174.990 -0.022 0.000 1.260 713 C CA -0.977 58.021 59.018 -0.033 0.000 1.464 713 C CB -1.190 26.539 27.740 -0.019 0.000 2.156 713 C HN 0.918 nan 8.230 nan 0.000 0.476 714 I N 7.388 127.937 120.570 -0.034 0.000 2.297 714 I HA 0.364 4.534 4.170 0.001 0.000 0.291 714 I C 0.254 176.330 176.117 -0.068 0.000 1.033 714 I CA 0.187 61.463 61.300 -0.041 0.000 1.253 714 I CB 0.971 38.949 38.000 -0.037 0.000 1.396 714 I HN 0.512 nan 8.210 nan 0.000 0.476 715 I N 7.024 127.533 120.570 -0.102 0.000 2.363 715 I HA 0.163 4.333 4.170 0.001 0.000 0.292 715 I C 0.266 176.202 176.117 -0.302 0.000 1.075 715 I CA -0.343 60.840 61.300 -0.194 0.000 1.333 715 I CB 0.090 37.955 38.000 -0.224 0.000 1.415 715 I HN 0.428 nan 8.210 nan 0.000 0.502 716 K N 6.170 126.438 120.400 -0.220 0.000 2.268 716 K HA 0.322 4.643 4.320 0.001 0.000 0.276 716 K C -0.494 176.021 176.600 -0.142 0.000 1.080 716 K CA -0.559 55.634 56.287 -0.156 0.000 0.910 716 K CB 0.466 32.925 32.500 -0.069 0.000 1.163 716 K HN 0.440 nan 8.250 nan 0.000 0.465 717 H N 2.398 121.482 119.070 0.023 0.000 2.505 717 H HA 0.062 4.618 4.556 0.000 0.000 0.351 717 H C -1.728 173.599 175.328 -0.000 0.000 1.151 717 H CA -2.255 53.805 56.048 0.020 0.000 1.339 717 H CB 1.097 30.868 29.762 0.016 0.000 1.483 717 H HN 0.381 nan 8.280 nan 0.000 0.558 718 P HA -0.146 nan 4.420 nan 0.000 0.216 718 P C 1.062 178.383 177.300 0.035 0.000 1.153 718 P CA 1.195 64.325 63.100 0.050 0.000 0.848 718 P CB 0.231 31.947 31.700 0.028 0.000 0.787 719 N N -0.634 118.085 118.700 0.031 0.000 2.635 719 N HA -0.047 4.693 4.740 0.001 0.000 0.191 719 N C 1.319 176.845 175.510 0.027 0.000 1.155 719 N CA 1.453 54.511 53.050 0.013 0.000 0.927 719 N CB -1.256 37.221 38.487 -0.016 0.000 0.976 719 N HN 0.284 nan 8.380 nan 0.000 0.448 720 G N -1.582 107.247 108.800 0.049 0.000 2.254 720 G HA2 -0.272 3.688 3.960 0.001 0.000 0.225 720 G HA3 -0.272 3.688 3.960 0.001 0.000 0.225 720 G C 0.139 175.079 174.900 0.066 0.000 1.003 720 G CA 0.257 45.383 45.100 0.043 0.000 0.622 720 G HN 0.555 nan 8.290 nan 0.000 0.507 721 T N 1.824 116.441 114.554 0.106 0.000 2.930 721 T HA 0.511 4.861 4.350 0.001 0.000 0.306 721 T C 0.116 174.933 174.700 0.196 0.000 1.045 721 T CA 0.363 62.554 62.100 0.152 0.000 1.134 721 T CB 1.605 70.586 68.868 0.189 0.000 0.961 721 T HN 0.506 nan 8.240 nan 0.000 0.545 722 Q N 1.194 121.063 119.800 0.116 0.000 2.377 722 Q HA 0.491 4.832 4.340 0.001 0.000 0.271 722 Q C -0.679 175.351 176.000 0.051 0.000 1.077 722 Q CA -0.823 54.998 55.803 0.031 0.000 0.820 722 Q CB 2.386 31.127 28.738 0.005 0.000 1.347 722 Q HN 0.664 nan 8.270 nan 0.000 0.444 723 E N 0.821 121.020 120.200 -0.001 0.000 2.314 723 E HA 0.399 4.749 4.350 0.001 0.000 0.272 723 E C -1.323 175.280 176.600 0.005 0.000 0.884 723 E CA -0.575 55.847 56.400 0.038 0.000 0.753 723 E CB 2.385 32.139 29.700 0.089 0.000 1.213 723 E HN 0.328 nan 8.360 nan 0.000 0.432 724 T N 2.896 117.459 114.554 0.016 0.000 2.794 724 T HA 0.595 4.945 4.350 0.001 0.000 0.280 724 T C -0.011 174.704 174.700 0.025 0.000 0.987 724 T CA -0.523 61.584 62.100 0.011 0.000 0.993 724 T CB 0.341 69.214 68.868 0.008 0.000 0.939 724 T HN 0.433 nan 8.240 nan 0.000 0.449 725 I N 0.121 120.710 120.570 0.033 0.000 3.145 725 I HA 0.716 4.886 4.170 0.001 0.000 0.313 725 I C -1.503 174.645 176.117 0.051 0.000 1.122 725 I CA -1.519 59.815 61.300 0.057 0.000 0.987 725 I CB 1.827 39.887 38.000 0.100 0.000 1.236 725 I HN 0.396 nan 8.210 nan 0.000 0.453 726 L N 3.379 124.641 121.223 0.064 0.000 2.334 726 L HA 0.620 4.961 4.340 0.001 0.000 0.276 726 L C -0.950 175.956 176.870 0.060 0.000 1.014 726 L CA -0.795 54.073 54.840 0.047 0.000 0.815 726 L CB 2.047 44.131 42.059 0.041 0.000 1.268 726 L HN 0.492 nan 8.230 nan 0.000 0.428 727 L N 2.846 124.085 121.223 0.026 0.000 2.385 727 L HA 0.487 4.828 4.340 0.001 0.000 0.273 727 L C -0.540 176.355 176.870 0.041 0.000 0.990 727 L CA -0.725 54.120 54.840 0.008 0.000 0.821 727 L CB 2.036 44.059 42.059 -0.060 0.000 1.279 727 L HN 0.569 nan 8.230 nan 0.000 0.412 728 N N 0.926 119.655 118.700 0.048 0.000 2.476 728 N HA 0.499 5.239 4.740 0.001 0.000 0.275 728 N C -0.872 174.713 175.510 0.125 0.000 1.190 728 N CA -0.462 52.614 53.050 0.044 0.000 0.977 728 N CB 1.465 39.961 38.487 0.015 0.000 1.200 728 N HN 0.650 nan 8.380 nan 0.000 0.515 729 H N -4.052 115.084 119.070 0.111 0.000 3.008 729 H HA 0.470 5.026 4.556 0.001 0.000 0.354 729 H C -0.274 175.179 175.328 0.208 0.000 1.252 729 H CA -0.857 55.313 56.048 0.204 0.000 1.117 729 H CB 0.823 30.763 29.762 0.297 0.000 1.857 729 H HN 0.391 nan 8.280 nan 0.000 0.547 730 T N -1.001 113.733 114.554 0.300 0.000 3.215 730 T HA 0.283 4.633 4.350 0.001 0.000 0.271 730 T C -0.447 174.394 174.700 0.236 0.000 1.012 730 T CA -0.460 61.745 62.100 0.175 0.000 0.899 730 T CB -0.864 68.076 68.868 0.119 0.000 1.089 730 T HN 0.269 nan 8.240 nan 0.000 0.552 731 F N 4.476 124.550 119.950 0.206 0.000 2.529 731 F HA 0.383 4.910 4.527 0.001 0.000 0.365 731 F C 1.085 176.807 175.800 -0.130 0.000 1.102 731 F CA -0.851 57.108 58.000 -0.069 0.000 1.271 731 F CB 0.428 39.261 39.000 -0.279 0.000 1.120 731 F HN 0.335 nan 8.300 nan 0.000 0.579 732 N N 1.105 119.701 118.700 -0.172 0.000 2.604 732 N HA 0.156 4.896 4.740 0.001 0.000 0.297 732 N C 0.536 175.889 175.510 -0.261 0.000 1.266 732 N CA -0.523 52.424 53.050 -0.172 0.000 0.961 732 N CB 0.332 38.688 38.487 -0.218 0.000 1.166 732 N HN 0.427 nan 8.380 nan 0.000 0.601 733 E N -0.545 119.521 120.200 -0.224 0.000 2.274 733 E HA -0.035 4.316 4.350 0.001 0.000 0.194 733 E C 1.037 177.459 176.600 -0.297 0.000 0.996 733 E CA 0.762 57.020 56.400 -0.237 0.000 0.840 733 E CB -0.423 29.184 29.700 -0.154 0.000 0.772 733 E HN 0.682 nan 8.360 nan 0.000 0.491 734 T N 1.169 115.500 114.554 -0.372 0.000 2.708 734 T HA -0.176 4.175 4.350 0.001 0.000 0.266 734 T C 1.862 176.033 174.700 -0.882 0.000 1.037 734 T CA 1.343 63.153 62.100 -0.482 0.000 1.146 734 T CB -0.074 68.509 68.868 -0.476 0.000 0.865 734 T HN 0.254 nan 8.240 nan 0.000 0.435 735 Q N -0.024 119.164 119.800 -1.019 0.000 2.172 735 Q HA 0.107 4.447 4.340 0.001 0.000 0.200 735 Q C 2.335 178.141 176.000 -0.323 0.000 0.964 735 Q CA 0.882 55.977 55.803 -1.181 0.000 0.855 735 Q CB -0.243 27.867 28.738 -1.045 0.000 0.918 735 Q HN 0.508 nan 8.270 nan 0.000 0.444 736 I N 0.911 121.326 120.570 -0.259 0.000 2.361 736 I HA -0.241 3.929 4.170 0.001 0.000 0.251 736 I C 2.071 178.145 176.117 -0.070 0.000 1.133 736 I CA 0.816 61.939 61.300 -0.295 0.000 1.413 736 I CB -0.146 37.494 38.000 -0.599 0.000 1.073 736 I HN 0.181 nan 8.210 nan 0.000 0.424 737 E N 0.268 120.401 120.200 -0.112 0.000 2.110 737 E HA -0.218 4.132 4.350 0.001 0.000 0.193 737 E C 1.980 178.697 176.600 0.195 0.000 0.988 737 E CA 1.225 57.639 56.400 0.023 0.000 0.804 737 E CB -0.213 29.484 29.700 -0.006 0.000 0.745 737 E HN 0.545 nan 8.360 nan 0.000 0.458 738 W N 0.429 121.771 121.300 0.071 0.000 2.355 738 W HA -0.148 4.513 4.660 0.000 0.000 0.309 738 W C 2.258 178.850 176.519 0.121 0.000 1.206 738 W CA 0.213 57.607 57.345 0.082 0.000 1.284 738 W CB -1.638 27.866 29.460 0.072 0.000 1.145 738 W HN 0.077 nan 8.180 nan 0.000 0.502 739 F N 1.742 121.867 119.950 0.291 0.000 2.069 739 F HA -0.211 4.316 4.527 0.001 0.000 0.298 739 F C 2.480 178.330 175.800 0.082 0.000 1.113 739 F CA 2.135 60.225 58.000 0.150 0.000 1.214 739 F CB -0.624 38.415 39.000 0.065 0.000 0.978 739 F HN -0.249 nan 8.300 nan 0.000 0.474 740 R N 0.237 120.707 120.500 -0.050 0.000 2.105 740 R HA -0.118 4.222 4.340 0.001 0.000 0.239 740 R C 2.330 178.649 176.300 0.032 0.000 1.135 740 R CA 1.274 57.363 56.100 -0.019 0.000 0.967 740 R CB -0.954 29.450 30.300 0.173 0.000 0.861 740 R HN 0.415 nan 8.270 nan 0.000 0.442 741 A N -0.233 122.627 122.820 0.068 0.000 2.168 741 A HA 0.112 4.432 4.320 0.001 0.000 0.215 741 A C 1.674 179.289 177.584 0.052 0.000 1.152 741 A CA 1.312 53.392 52.037 0.072 0.000 0.716 741 A CB -0.158 18.905 19.000 0.104 0.000 0.794 741 A HN 0.520 nan 8.150 nan 0.000 0.465 742 G N -1.726 107.086 108.800 0.019 0.000 2.279 742 G HA2 -0.098 3.863 3.960 0.001 0.000 0.223 742 G HA3 -0.098 3.863 3.960 0.001 0.000 0.223 742 G C 0.389 175.357 174.900 0.114 0.000 1.015 742 G CA 0.576 45.701 45.100 0.041 0.000 0.621 742 G HN 2.149 nan 8.290 nan 0.000 0.506 743 S N -1.939 113.837 115.700 0.127 0.000 2.645 743 S HA 0.784 5.255 4.470 0.001 0.000 0.268 743 S C 0.818 175.430 174.600 0.021 0.000 1.110 743 S CA 0.611 58.878 58.200 0.113 0.000 0.823 743 S CB 0.850 64.158 63.200 0.179 0.000 1.091 743 S HN 1.793 nan 8.310 nan 0.000 0.466 744 A N 0.283 122.973 122.820 -0.217 0.000 1.929 744 A HA 0.147 4.468 4.320 0.001 0.000 0.216 744 A C 1.983 179.418 177.584 -0.248 0.000 1.176 744 A CA 1.590 53.302 52.037 -0.541 0.000 0.628 744 A CB -0.905 17.347 19.000 -1.245 0.000 0.816 744 A HN 1.124 nan 8.150 nan 0.000 0.444 745 L N 0.439 121.559 121.223 -0.171 0.000 2.083 745 L HA -0.146 4.194 4.340 0.001 0.000 0.209 745 L C 1.748 178.579 176.870 -0.063 0.000 1.083 745 L CA 2.065 56.838 54.840 -0.112 0.000 0.752 745 L CB -0.739 41.258 42.059 -0.103 0.000 0.899 745 L HN 0.312 nan 8.230 nan 0.000 0.433 746 N N -0.532 118.153 118.700 -0.025 0.000 2.166 746 N HA -0.162 4.579 4.740 0.001 0.000 0.186 746 N C 1.975 177.497 175.510 0.019 0.000 1.019 746 N CA 0.762 53.813 53.050 0.001 0.000 0.856 746 N CB -0.393 38.115 38.487 0.034 0.000 0.993 746 N HN 0.222 nan 8.380 nan 0.000 0.426 747 R N 1.151 121.680 120.500 0.048 0.000 2.066 747 R HA 0.014 4.355 4.340 0.001 0.000 0.232 747 R C 2.030 178.364 176.300 0.057 0.000 1.131 747 R CA 0.903 57.056 56.100 0.089 0.000 0.955 747 R CB -0.730 29.690 30.300 0.200 0.000 0.851 747 R HN 0.321 nan 8.270 nan 0.000 0.432 748 M N 0.633 120.247 119.600 0.024 0.000 2.080 748 M HA -0.195 4.285 4.480 0.001 0.000 0.260 748 M C 1.785 178.077 176.300 -0.013 0.000 1.068 748 M CA 1.822 57.125 55.300 0.005 0.000 1.109 748 M CB -0.128 32.453 32.600 -0.031 0.000 1.342 748 M HN -0.019 nan 8.290 nan 0.000 0.405 749 K N 0.042 120.424 120.400 -0.030 0.000 2.209 749 K HA -0.159 4.161 4.320 0.001 0.000 0.204 749 K C 1.663 178.254 176.600 -0.014 0.000 1.048 749 K CA 1.491 57.758 56.287 -0.035 0.000 0.940 749 K CB -0.143 32.329 32.500 -0.047 0.000 0.729 749 K HN 0.577 nan 8.250 nan 0.000 0.451 750 E N 0.891 121.093 120.200 0.004 0.000 2.106 750 E HA -0.122 4.229 4.350 0.001 0.000 0.192 750 E C 1.858 178.465 176.600 0.012 0.000 0.984 750 E CA 0.705 57.111 56.400 0.011 0.000 0.806 750 E CB -0.057 29.658 29.700 0.025 0.000 0.750 750 E HN 0.202 nan 8.360 nan 0.000 0.458 751 L N 0.998 122.232 121.223 0.017 0.000 2.353 751 L HA -0.172 4.169 4.340 0.001 0.000 0.220 751 L C 1.451 178.326 176.870 0.008 0.000 1.133 751 L CA 0.769 55.620 54.840 0.018 0.000 0.798 751 L CB -0.162 41.914 42.059 0.028 0.000 0.922 751 L HN 0.094 nan 8.230 nan 0.000 0.445 752 Q N 0.882 120.681 119.800 -0.002 0.000 2.283 752 Q HA -0.080 4.261 4.340 0.001 0.000 0.223 752 Q C 0.518 176.514 176.000 -0.006 0.000 0.918 752 Q CA -0.017 55.780 55.803 -0.009 0.000 0.952 752 Q CB -0.140 28.583 28.738 -0.024 0.000 1.030 752 Q HN 0.395 nan 8.270 nan 0.000 0.452 753 Q N -0.790 119.009 119.800 -0.001 0.000 2.422 753 Q HA -0.306 4.034 4.340 0.001 0.000 0.245 753 Q C -0.923 175.075 176.000 -0.002 0.000 0.922 753 Q CA 1.895 57.698 55.803 0.000 0.000 1.192 753 Q CB -1.838 26.900 28.738 0.001 0.000 1.641 753 Q HN 0.438 nan 8.270 nan 0.000 0.552 754 K N 0.000 120.397 120.400 -0.005 0.000 2.780 754 K HA 0.000 4.320 4.320 0.001 0.000 0.191 754 K CA 0.000 56.282 56.287 -0.007 0.000 0.838 754 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 754 K HN 0.000 nan 8.250 nan 0.000 0.543