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 3omi_1_A DATA FIRST_RESID 17 DATA SEQUENCE FTRWFMSTNH KDIGVLYLFT GGLVGLISVA FTVYMRMELM APGVQFMcAE DATA SEQUENCE HLESGLVKGF FQSLWPSAVE NcTPNGHLWN VMITGHGILM MFFVVIPALF DATA SEQUENCE GGFGNYFMPL HIGAPAMAFP RMNNLSYWLY VAGTSLAVAS LFAPGGNGQL DATA SEQUENCE GSGIGWVLYP PLSTSESGYS TDLAIFAVHL SGASSILGAI NMITTFLNMR DATA SEQUENCE APGMTMHKVP LFAWSIFVTA WLILLALPVL AGAITMLLTD RNFGTTFFQP DATA SEQUENCE SGGGDPVLYQ HILWFFGHPE VYIIVLPAFG IVSHVIATFA KKPIFGYLPM DATA SEQUENCE VYAMVAIGVL GFVVWAHHMY TAGLSLTQQS YFMMATMVIA VPTGIKIFSW DATA SEQUENCE IATMWGGSIE LKTPMLWALG FLFLFTVGGV TGIVLSQASV DRYYHDTYYV DATA SEQUENCE VAHFHYVMSL GAVFGIFAGI YFWIGKMSGR QYPEWAGKLH FWMMFVGANL DATA SEQUENCE TFFPQHFLGR QGMPRRYIDY PEAFATWNFV SSLGAFLSFA SFLFFLGVIF DATA SEQUENCE YTLTRGARVT ANNYWNEHAD TLEWTLTSPP PEHTF 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 17 F HA 0.000 nan 4.527 nan 0.000 0.279 17 F C 0.000 175.965 175.800 0.275 0.000 0.967 17 F CA 0.000 58.109 58.000 0.182 0.000 1.383 17 F CB 0.000 39.066 39.000 0.110 0.000 1.145 18 T N -0.333 114.376 114.554 0.258 0.000 3.434 18 T HA 0.511 4.781 4.350 -0.133 0.000 0.249 18 T C 1.426 176.290 174.700 0.274 0.000 1.050 18 T CA 1.602 63.920 62.100 0.363 0.000 0.952 18 T CB -1.003 68.033 68.868 0.280 0.000 1.046 18 T HN 2.043 nan 8.240 nan 0.000 0.590 19 R N -0.751 119.852 120.500 0.171 0.000 2.276 19 R HA 0.248 4.508 4.340 -0.133 0.000 0.196 19 R C 1.785 178.080 176.300 -0.009 0.000 0.961 19 R CA 0.340 56.473 56.100 0.054 0.000 1.024 19 R CB -1.194 29.080 30.300 -0.043 0.000 0.940 19 R HN 0.851 nan 8.270 nan 0.000 0.480 20 W N -0.704 120.575 121.300 -0.035 0.000 2.407 20 W HA 0.075 4.651 4.660 -0.141 0.000 0.305 20 W C 1.530 177.910 176.519 -0.232 0.000 1.196 20 W CA 0.861 58.074 57.345 -0.221 0.000 1.311 20 W CB -0.029 29.165 29.460 -0.444 0.000 1.135 20 W HN 0.297 nan 8.180 nan 0.000 0.514 21 F N -1.208 118.953 119.950 0.353 0.000 2.456 21 F HA -0.092 4.363 4.527 -0.121 0.000 0.298 21 F C 2.051 178.126 175.800 0.459 0.000 1.104 21 F CA 0.831 59.062 58.000 0.384 0.000 1.435 21 F CB -0.404 38.975 39.000 0.633 0.000 1.078 21 F HN -0.198 nan 8.300 nan 0.000 0.546 22 M N -0.928 118.941 119.600 0.447 0.000 2.428 22 M HA 0.129 4.529 4.480 -0.133 0.000 0.239 22 M C 0.892 177.299 176.300 0.180 0.000 1.121 22 M CA 0.165 55.656 55.300 0.319 0.000 1.019 22 M CB -0.859 31.866 32.600 0.208 0.000 1.485 22 M HN -0.080 nan 8.290 nan 0.000 0.484 23 S N 1.256 117.017 115.700 0.102 0.000 2.572 23 S HA 0.126 4.516 4.470 -0.133 0.000 0.279 23 S C 1.328 175.948 174.600 0.033 0.000 1.341 23 S CA 0.377 58.575 58.200 -0.004 0.000 1.043 23 S CB 0.624 63.741 63.200 -0.138 0.000 0.887 23 S HN 0.558 nan 8.310 nan 0.000 0.516 24 T N 0.968 115.528 114.554 0.010 0.000 3.044 24 T HA 0.223 4.493 4.350 -0.133 0.000 0.260 24 T C 0.547 175.254 174.700 0.011 0.000 1.019 24 T CA -0.432 61.694 62.100 0.043 0.000 0.921 24 T CB -0.330 68.573 68.868 0.060 0.000 1.053 24 T HN 0.575 nan 8.240 nan 0.000 0.533 25 N N 2.261 120.926 118.700 -0.058 0.000 2.497 25 N HA -0.023 4.637 4.740 -0.133 0.000 0.268 25 N C 1.241 176.669 175.510 -0.137 0.000 1.171 25 N CA 0.229 53.215 53.050 -0.105 0.000 0.948 25 N CB 0.858 39.222 38.487 -0.206 0.000 1.069 25 N HN 0.661 nan 8.380 nan 0.000 0.460 26 H N 3.249 122.230 119.070 -0.149 0.000 2.460 26 H HA -0.081 4.395 4.556 -0.134 0.000 0.297 26 H C 1.193 176.365 175.328 -0.260 0.000 1.103 26 H CA 1.521 57.471 56.048 -0.162 0.000 1.292 26 H CB 0.255 29.913 29.762 -0.173 0.000 1.376 26 H HN 0.535 nan 8.280 nan 0.000 0.531 27 K N 0.192 119.977 120.400 -1.024 0.000 2.062 27 K HA -0.096 4.144 4.320 -0.133 0.000 0.205 27 K C 1.602 178.010 176.600 -0.320 0.000 1.051 27 K CA 1.262 56.925 56.287 -1.039 0.000 0.941 27 K CB 0.099 31.854 32.500 -1.242 0.000 0.719 27 K HN 0.365 nan 8.250 nan 0.000 0.440 28 D N 1.149 121.410 120.400 -0.232 0.000 2.097 28 D HA -0.117 4.443 4.640 -0.133 0.000 0.197 28 D C 1.968 178.326 176.300 0.097 0.000 0.984 28 D CA 1.021 55.031 54.000 0.018 0.000 0.826 28 D CB -0.217 40.454 40.800 -0.216 0.000 0.973 28 D HN 0.138 nan 8.370 nan 0.000 0.460 29 I N 1.273 121.826 120.570 -0.028 0.000 2.127 29 I HA -0.202 3.888 4.170 -0.133 0.000 0.241 29 I C 2.621 178.791 176.117 0.088 0.000 1.075 29 I CA 1.456 62.738 61.300 -0.030 0.000 1.334 29 I CB -0.604 37.434 38.000 0.062 0.000 1.040 29 I HN 0.022 nan 8.210 nan 0.000 0.405 30 G N 0.576 109.440 108.800 0.107 0.000 2.529 30 G HA2 -0.254 3.626 3.960 -0.133 0.000 0.219 30 G HA3 -0.254 3.626 3.960 -0.133 0.000 0.219 30 G C 1.703 176.650 174.900 0.078 0.000 1.177 30 G CA 1.280 46.461 45.100 0.134 0.000 0.773 30 G HN 0.265 nan 8.290 nan 0.000 0.573 31 V N 0.911 120.879 119.914 0.090 0.000 2.332 31 V HA -0.158 3.882 4.120 -0.133 0.000 0.248 31 V C 2.954 178.995 176.094 -0.088 0.000 1.055 31 V CA 1.671 63.956 62.300 -0.025 0.000 1.038 31 V CB -0.458 31.439 31.823 0.124 0.000 0.651 31 V HN 0.366 nan 8.190 nan 0.000 0.450 32 L N -1.690 119.450 121.223 -0.138 0.000 2.042 32 L HA -0.230 4.030 4.340 -0.133 0.000 0.210 32 L C 2.467 179.303 176.870 -0.057 0.000 1.076 32 L CA 1.973 56.616 54.840 -0.328 0.000 0.749 32 L CB -0.642 40.861 42.059 -0.928 0.000 0.893 32 L HN 0.307 nan 8.230 nan 0.000 0.432 33 Y N -0.312 119.994 120.300 0.011 0.000 2.224 33 Y HA -0.256 4.217 4.550 -0.128 0.000 0.289 33 Y C 2.474 178.413 175.900 0.065 0.000 1.146 33 Y CA 1.089 59.291 58.100 0.169 0.000 1.182 33 Y CB -0.058 38.435 38.460 0.055 0.000 0.983 33 Y HN 0.074 nan 8.280 nan 0.000 0.524 34 L N -1.770 119.483 121.223 0.050 0.000 1.994 34 L HA -0.252 4.008 4.340 -0.133 0.000 0.208 34 L C 2.108 178.943 176.870 -0.058 0.000 1.071 34 L CA 1.313 56.064 54.840 -0.148 0.000 0.745 34 L CB -0.597 41.207 42.059 -0.426 0.000 0.892 34 L HN 0.183 nan 8.230 nan 0.000 0.431 35 F N 0.099 120.046 119.950 -0.006 0.000 2.134 35 F HA -0.211 4.236 4.527 -0.134 0.000 0.299 35 F C 2.671 178.527 175.800 0.092 0.000 1.097 35 F CA 1.680 59.681 58.000 0.002 0.000 1.264 35 F CB -1.045 37.890 39.000 -0.108 0.000 1.001 35 F HN 0.050 nan 8.300 nan 0.000 0.479 36 T N -1.030 113.736 114.554 0.352 0.000 2.812 36 T HA -0.060 4.210 4.350 -0.133 0.000 0.264 36 T C 2.392 177.318 174.700 0.376 0.000 1.042 36 T CA 1.239 63.549 62.100 0.350 0.000 1.140 36 T CB -1.027 68.107 68.868 0.444 0.000 0.870 36 T HN 0.384 nan 8.240 nan 0.000 0.445 37 G N 1.185 110.221 108.800 0.394 0.000 2.440 37 G HA2 -0.086 3.794 3.960 -0.133 0.000 0.218 37 G HA3 -0.086 3.794 3.960 -0.133 0.000 0.218 37 G C 1.712 176.761 174.900 0.248 0.000 1.154 37 G CA 0.974 46.261 45.100 0.312 0.000 0.767 37 G HN 0.562 nan 8.290 nan 0.000 0.552 38 G N 0.743 109.693 108.800 0.251 0.000 2.418 38 G HA2 -0.106 3.774 3.960 -0.133 0.000 0.217 38 G HA3 -0.106 3.774 3.960 -0.133 0.000 0.217 38 G C 1.747 176.851 174.900 0.340 0.000 1.158 38 G CA 1.067 46.361 45.100 0.323 0.000 0.771 38 G HN 0.456 nan 8.290 nan 0.000 0.545 39 L N 0.871 122.259 121.223 0.275 0.000 2.056 39 L HA 0.044 4.304 4.340 -0.133 0.000 0.207 39 L C 2.818 179.796 176.870 0.179 0.000 1.078 39 L CA 1.463 56.434 54.840 0.218 0.000 0.749 39 L CB -0.478 41.678 42.059 0.163 0.000 0.901 39 L HN 0.058 nan 8.230 nan 0.000 0.433 40 V N 0.470 120.486 119.914 0.171 0.000 2.407 40 V HA -0.176 3.864 4.120 -0.133 0.000 0.248 40 V C 2.681 178.836 176.094 0.101 0.000 1.055 40 V CA 1.631 64.003 62.300 0.120 0.000 1.049 40 V CB -1.812 30.119 31.823 0.179 0.000 0.662 40 V HN 0.637 nan 8.190 nan 0.000 0.455 41 G N 0.291 109.182 108.800 0.152 0.000 2.446 41 G HA2 -0.288 3.592 3.960 -0.133 0.000 0.217 41 G HA3 -0.288 3.592 3.960 -0.133 0.000 0.217 41 G C 1.586 176.539 174.900 0.088 0.000 1.168 41 G CA 1.273 46.429 45.100 0.095 0.000 0.771 41 G HN 0.463 nan 8.290 nan 0.000 0.551 42 L N 0.780 122.169 121.223 0.278 0.000 2.042 42 L HA 0.017 4.277 4.340 -0.133 0.000 0.210 42 L C 2.671 179.653 176.870 0.187 0.000 1.076 42 L CA 1.426 56.502 54.840 0.395 0.000 0.749 42 L CB -0.442 41.900 42.059 0.471 0.000 0.893 42 L HN 0.298 nan 8.230 nan 0.000 0.432 43 I N -1.266 119.335 120.570 0.050 0.000 2.179 43 I HA -0.306 3.784 4.170 -0.133 0.000 0.242 43 I C 2.669 178.517 176.117 -0.447 0.000 1.088 43 I CA 1.611 62.820 61.300 -0.151 0.000 1.357 43 I CB -0.569 37.315 38.000 -0.193 0.000 1.051 43 I HN 0.330 nan 8.210 nan 0.000 0.409 44 S N 0.244 115.739 115.700 -0.342 0.000 2.368 44 S HA -0.129 4.261 4.470 -0.133 0.000 0.225 44 S C 2.106 176.672 174.600 -0.056 0.000 1.030 44 S CA 1.164 59.199 58.200 -0.275 0.000 0.999 44 S CB -0.202 62.985 63.200 -0.023 0.000 0.844 44 S HN 0.218 nan 8.310 nan 0.000 0.459 45 V N 2.057 121.953 119.914 -0.029 0.000 2.343 45 V HA -0.172 3.868 4.120 -0.133 0.000 0.247 45 V C 2.788 178.849 176.094 -0.056 0.000 1.051 45 V CA 1.799 64.090 62.300 -0.015 0.000 1.036 45 V CB -1.265 30.548 31.823 -0.016 0.000 0.654 45 V HN 0.603 nan 8.190 nan 0.000 0.451 46 A N -0.369 122.444 122.820 -0.012 0.000 1.933 46 A HA -0.185 4.055 4.320 -0.133 0.000 0.218 46 A C 2.043 179.698 177.584 0.117 0.000 1.175 46 A CA 1.692 53.697 52.037 -0.054 0.000 0.628 46 A CB -0.642 18.426 19.000 0.113 0.000 0.814 46 A HN 0.448 nan 8.150 nan 0.000 0.444 47 F N 1.247 121.171 119.950 -0.045 0.000 2.126 47 F HA -0.184 4.263 4.527 -0.134 0.000 0.299 47 F C 3.005 178.724 175.800 -0.136 0.000 1.096 47 F CA 1.568 59.541 58.000 -0.045 0.000 1.255 47 F CB -1.609 37.380 39.000 -0.019 0.000 0.997 47 F HN 0.446 nan 8.300 nan 0.000 0.479 48 T N -2.279 112.243 114.554 -0.054 0.000 2.867 48 T HA -0.093 4.177 4.350 -0.133 0.000 0.268 48 T C 2.105 176.741 174.700 -0.106 0.000 1.057 48 T CA 1.299 63.275 62.100 -0.207 0.000 1.136 48 T CB -1.021 67.653 68.868 -0.324 0.000 0.874 48 T HN 0.070 nan 8.240 nan 0.000 0.466 49 V N 0.400 120.248 119.914 -0.109 0.000 2.295 49 V HA -0.106 3.934 4.120 -0.133 0.000 0.246 49 V C 2.319 178.440 176.094 0.046 0.000 1.049 49 V CA 1.791 64.056 62.300 -0.060 0.000 1.024 49 V CB -0.947 30.645 31.823 -0.385 0.000 0.648 49 V HN 0.516 nan 8.190 nan 0.000 0.447 50 Y N 0.259 120.481 120.300 -0.130 0.000 2.145 50 Y HA -0.254 4.217 4.550 -0.133 0.000 0.286 50 Y C 2.464 178.308 175.900 -0.093 0.000 1.145 50 Y CA 1.741 59.747 58.100 -0.155 0.000 1.148 50 Y CB -0.441 37.940 38.460 -0.132 0.000 0.981 50 Y HN 0.182 nan 8.280 nan 0.000 0.507 51 M N -0.529 119.002 119.600 -0.116 0.000 2.082 51 M HA -0.286 4.114 4.480 -0.133 0.000 0.258 51 M C 2.119 178.497 176.300 0.130 0.000 1.069 51 M CA 1.824 57.078 55.300 -0.077 0.000 1.102 51 M CB -0.280 32.187 32.600 -0.222 0.000 1.336 51 M HN 0.015 nan 8.290 nan 0.000 0.404 52 R N -0.237 120.281 120.500 0.030 0.000 2.148 52 R HA 0.016 4.276 4.340 -0.133 0.000 0.223 52 R C 1.955 178.286 176.300 0.051 0.000 1.088 52 R CA 1.172 57.267 56.100 -0.008 0.000 0.985 52 R CB -0.690 29.494 30.300 -0.194 0.000 0.880 52 R HN 0.506 nan 8.270 nan 0.000 0.451 53 M N 0.199 119.818 119.600 0.032 0.000 2.086 53 M HA -0.185 4.214 4.480 -0.133 0.000 0.261 53 M C 2.097 178.247 176.300 -0.249 0.000 1.067 53 M CA 1.714 56.900 55.300 -0.189 0.000 1.116 53 M CB -0.190 31.975 32.600 -0.726 0.000 1.348 53 M HN -0.076 nan 8.290 nan 0.000 0.407 54 E N 0.633 120.688 120.200 -0.241 0.000 2.106 54 E HA -0.088 4.182 4.350 -0.133 0.000 0.192 54 E C 1.670 178.336 176.600 0.110 0.000 0.984 54 E CA 1.151 57.576 56.400 0.041 0.000 0.806 54 E CB -0.232 29.511 29.700 0.072 0.000 0.750 54 E HN 0.471 nan 8.360 nan 0.000 0.458 55 L N 0.263 121.566 121.223 0.133 0.000 2.478 55 L HA 0.053 4.313 4.340 -0.133 0.000 0.223 55 L C 2.388 179.405 176.870 0.244 0.000 1.140 55 L CA 0.315 55.276 54.840 0.202 0.000 0.842 55 L CB -0.338 41.797 42.059 0.125 0.000 0.953 55 L HN 0.306 nan 8.230 nan 0.000 0.452 56 M N 0.177 119.886 119.600 0.181 0.000 2.144 56 M HA -0.112 4.288 4.480 -0.133 0.000 0.260 56 M C 0.711 177.226 176.300 0.358 0.000 1.067 56 M CA 1.513 56.941 55.300 0.213 0.000 1.095 56 M CB 0.162 32.900 32.600 0.230 0.000 1.365 56 M HN 0.246 nan 8.290 nan 0.000 0.406 57 A N 0.304 123.308 122.820 0.306 0.000 2.515 57 A HA 0.715 4.955 4.320 -0.133 0.000 0.298 57 A C -2.702 174.883 177.584 0.001 0.000 1.059 57 A CA -1.496 50.675 52.037 0.224 0.000 0.698 57 A CB 0.885 19.981 19.000 0.160 0.000 1.289 57 A HN 0.154 nan 8.150 nan 0.000 0.404 58 P HA 0.445 nan 4.420 nan 0.000 0.272 58 P C 0.484 177.617 177.300 -0.278 0.000 1.230 58 P CA 1.374 64.159 63.100 -0.526 0.000 0.788 58 P CB 0.770 32.295 31.700 -0.293 0.000 0.949 59 G N -0.070 108.550 108.800 -0.298 0.000 2.705 59 G HA2 -0.064 3.816 3.960 -0.133 0.000 0.686 59 G HA3 -0.064 3.816 3.960 -0.133 0.000 0.686 59 G C -1.101 173.710 174.900 -0.148 0.000 1.285 59 G CA -0.720 44.276 45.100 -0.174 0.000 0.800 59 G HN 0.451 nan 8.290 nan 0.000 0.611 60 V N 2.109 121.959 119.914 -0.107 0.000 2.370 60 V HA 0.526 4.566 4.120 -0.133 0.000 0.279 60 V C 0.800 176.864 176.094 -0.050 0.000 1.029 60 V CA 0.240 62.505 62.300 -0.059 0.000 0.870 60 V CB 1.456 33.247 31.823 -0.053 0.000 0.984 60 V HN 0.868 nan 8.190 nan 0.000 0.451 61 Q N 2.363 122.144 119.800 -0.032 0.000 2.288 61 Q HA 0.349 4.609 4.340 -0.133 0.000 0.256 61 Q C 0.870 176.693 176.000 -0.294 0.000 0.835 61 Q CA 0.457 56.135 55.803 -0.210 0.000 0.958 61 Q CB 0.534 29.045 28.738 -0.378 0.000 1.125 61 Q HN 0.789 nan 8.270 nan 0.000 0.513 62 F N -0.707 119.286 119.950 0.071 0.000 2.490 62 F HA 0.302 4.749 4.527 -0.133 0.000 0.280 62 F C 0.815 176.770 175.800 0.259 0.000 1.030 62 F CA 0.204 58.306 58.000 0.170 0.000 1.367 62 F CB 0.469 39.504 39.000 0.059 0.000 1.131 62 F HN -0.114 nan 8.300 nan 0.000 0.632 63 M N 1.592 121.392 119.600 0.333 0.000 3.396 63 M HA 0.197 4.597 4.480 -0.133 0.000 0.255 63 M C -1.206 175.175 176.300 0.135 0.000 1.398 63 M CA -0.209 55.259 55.300 0.280 0.000 1.554 63 M CB -0.334 32.411 32.600 0.241 0.000 1.070 63 M HN 0.064 nan 8.290 nan 0.000 0.587 64 c N 0.615 119.232 118.600 0.028 0.000 2.350 64 c HA 0.503 4.993 4.570 -0.133 0.000 0.348 64 c C 1.906 175.901 174.090 -0.159 0.000 1.260 64 c CA -0.693 55.525 56.329 -0.186 0.000 1.966 64 c CB 0.778 42.980 42.510 -0.513 0.000 2.380 64 c HN 0.906 nan 8.230 nan 0.000 0.535 65 A N 1.826 124.599 122.820 -0.078 0.000 2.024 65 A HA -0.155 4.085 4.320 -0.133 0.000 0.220 65 A C 1.875 179.434 177.584 -0.041 0.000 1.164 65 A CA 1.729 53.751 52.037 -0.026 0.000 0.643 65 A CB -0.384 18.609 19.000 -0.011 0.000 0.806 65 A HN 0.929 nan 8.150 nan 0.000 0.451 66 E N -0.246 119.883 120.200 -0.118 0.000 2.130 66 E HA -0.199 4.071 4.350 -0.133 0.000 0.196 66 E C 1.702 178.318 176.600 0.028 0.000 0.998 66 E CA 1.479 57.834 56.400 -0.074 0.000 0.806 66 E CB -0.400 29.236 29.700 -0.106 0.000 0.738 66 E HN 0.736 nan 8.360 nan 0.000 0.459 67 H N -0.298 118.819 119.070 0.078 0.000 2.521 67 H HA -0.015 4.461 4.556 -0.133 0.000 0.286 67 H C 1.810 177.192 175.328 0.090 0.000 1.034 67 H CA 0.730 56.833 56.048 0.092 0.000 1.278 67 H CB -0.261 29.569 29.762 0.113 0.000 1.386 67 H HN 0.209 nan 8.280 nan 0.000 0.567 68 L N 0.163 121.487 121.223 0.169 0.000 2.291 68 L HA -0.080 4.180 4.340 -0.133 0.000 0.214 68 L C 2.021 178.951 176.870 0.101 0.000 1.120 68 L CA 0.799 55.713 54.840 0.124 0.000 0.799 68 L CB -0.206 41.905 42.059 0.087 0.000 0.925 68 L HN 0.175 nan 8.230 nan 0.000 0.446 69 E N -0.208 120.049 120.200 0.095 0.000 2.204 69 E HA -0.059 4.211 4.350 -0.133 0.000 0.194 69 E C 1.032 177.683 176.600 0.085 0.000 0.989 69 E CA 0.436 56.882 56.400 0.077 0.000 0.824 69 E CB 0.108 29.848 29.700 0.065 0.000 0.756 69 E HN 0.391 nan 8.360 nan 0.000 0.477 70 S N -0.011 115.756 115.700 0.110 0.000 2.640 70 S HA 0.337 4.727 4.470 -0.133 0.000 0.262 70 S C 0.671 175.332 174.600 0.102 0.000 1.232 70 S CA -0.479 57.785 58.200 0.106 0.000 0.988 70 S CB 0.657 63.933 63.200 0.127 0.000 1.034 70 S HN 0.299 nan 8.310 nan 0.000 0.569 71 G N -0.954 107.907 108.800 0.102 0.000 2.588 71 G HA2 0.476 4.356 3.960 -0.133 0.000 0.281 71 G HA3 0.476 4.356 3.960 -0.133 0.000 0.281 71 G C 1.202 176.177 174.900 0.125 0.000 1.236 71 G CA -0.215 44.944 45.100 0.100 0.000 0.969 71 G HN 0.746 nan 8.290 nan 0.000 0.504 72 L N -0.458 120.835 121.223 0.118 0.000 1.970 72 L HA 0.146 4.406 4.340 -0.133 0.000 0.212 72 L C 3.502 180.470 176.870 0.163 0.000 1.071 72 L CA 3.281 58.205 54.840 0.139 0.000 0.751 72 L CB -1.772 40.353 42.059 0.111 0.000 0.889 72 L HN 1.026 nan 8.230 nan 0.000 0.432 73 V N -0.410 119.593 119.914 0.149 0.000 2.295 73 V HA -0.134 3.906 4.120 -0.133 0.000 0.246 73 V C 2.910 179.226 176.094 0.370 0.000 1.049 73 V CA 4.298 66.732 62.300 0.223 0.000 1.024 73 V CB -1.442 30.499 31.823 0.198 0.000 0.648 73 V HN 0.777 nan 8.190 nan 0.000 0.447 74 K N 0.274 120.833 120.400 0.264 0.000 2.057 74 K HA 0.087 4.327 4.320 -0.133 0.000 0.206 74 K C 2.506 179.233 176.600 0.212 0.000 1.050 74 K CA 1.772 58.207 56.287 0.246 0.000 0.935 74 K CB -1.675 30.912 32.500 0.146 0.000 0.715 74 K HN 0.902 nan 8.250 nan 0.000 0.439 75 G N 0.117 109.024 108.800 0.179 0.000 2.440 75 G HA2 -0.199 3.681 3.960 -0.133 0.000 0.218 75 G HA3 -0.199 3.681 3.960 -0.133 0.000 0.218 75 G C 1.570 176.522 174.900 0.087 0.000 1.154 75 G CA 1.114 46.299 45.100 0.142 0.000 0.767 75 G HN 0.569 nan 8.290 nan 0.000 0.552 76 F N 1.005 120.943 119.950 -0.021 0.000 2.065 76 F HA -0.091 4.357 4.527 -0.131 0.000 0.298 76 F C 2.280 177.948 175.800 -0.219 0.000 1.112 76 F CA 1.698 59.595 58.000 -0.173 0.000 1.212 76 F CB -0.407 38.426 39.000 -0.277 0.000 0.975 76 F HN 0.116 nan 8.300 nan 0.000 0.476 77 F N 0.736 120.615 119.950 -0.119 0.000 2.186 77 F HA -0.138 4.309 4.527 -0.134 0.000 0.299 77 F C 2.558 178.238 175.800 -0.200 0.000 1.090 77 F CA 1.615 59.483 58.000 -0.220 0.000 1.307 77 F CB -0.975 38.033 39.000 0.014 0.000 1.019 77 F HN 0.062 nan 8.300 nan 0.000 0.489 78 Q N -0.353 119.426 119.800 -0.035 0.000 2.167 78 Q HA -0.153 4.107 4.340 -0.133 0.000 0.202 78 Q C 2.267 178.031 176.000 -0.393 0.000 0.970 78 Q CA 1.686 57.376 55.803 -0.188 0.000 0.855 78 Q CB -0.324 28.252 28.738 -0.269 0.000 0.911 78 Q HN 0.419 nan 8.270 nan 0.000 0.438 79 S N -0.185 115.237 115.700 -0.462 0.000 2.555 79 S HA 0.005 4.395 4.470 -0.133 0.000 0.230 79 S C 1.548 176.278 174.600 0.215 0.000 0.978 79 S CA 0.438 58.551 58.200 -0.145 0.000 0.934 79 S CB -0.067 63.146 63.200 0.021 0.000 0.766 79 S HN 0.300 nan 8.310 nan 0.000 0.533 80 L N -0.479 120.784 121.223 0.066 0.000 2.567 80 L HA 0.352 4.612 4.340 -0.133 0.000 0.225 80 L C 0.826 177.995 176.870 0.498 0.000 1.119 80 L CA -0.144 54.822 54.840 0.211 0.000 0.871 80 L CB 0.078 42.096 42.059 -0.068 0.000 1.036 80 L HN 0.498 nan 8.230 nan 0.000 0.459 81 W N 3.053 124.479 121.300 0.210 0.000 2.529 81 W HA 0.329 4.908 4.660 -0.134 0.000 0.321 81 W C -2.388 174.093 176.519 -0.063 0.000 1.047 81 W CA -1.842 55.585 57.345 0.137 0.000 1.216 81 W CB 2.048 31.541 29.460 0.055 0.000 1.357 81 W HN -0.240 nan 8.180 nan 0.000 0.489 82 P HA 0.112 nan 4.420 nan 0.000 0.275 82 P C -0.634 176.521 177.300 -0.241 0.000 1.228 82 P CA 0.127 62.746 63.100 -0.802 0.000 0.786 82 P CB 1.594 32.778 31.700 -0.859 0.000 0.927 83 S N 0.389 115.965 115.700 -0.206 0.000 2.664 83 S HA 0.638 5.028 4.470 -0.133 0.000 0.304 83 S C -0.001 174.545 174.600 -0.090 0.000 1.099 83 S CA -0.603 57.566 58.200 -0.052 0.000 1.003 83 S CB 1.422 64.623 63.200 0.001 0.000 1.092 83 S HN 0.653 nan 8.310 nan 0.000 0.525 84 A N 1.069 123.865 122.820 -0.041 0.000 2.445 84 A HA 0.322 4.562 4.320 -0.133 0.000 0.242 84 A C 1.370 178.923 177.584 -0.052 0.000 1.075 84 A CA -0.418 51.593 52.037 -0.044 0.000 0.777 84 A CB -0.154 18.834 19.000 -0.020 0.000 1.013 84 A HN 0.686 nan 8.150 nan 0.000 0.493 85 V N 1.932 121.813 119.914 -0.056 0.000 2.324 85 V HA -0.254 3.786 4.120 -0.133 0.000 0.250 85 V C 2.477 178.544 176.094 -0.045 0.000 1.060 85 V CA 2.468 64.734 62.300 -0.056 0.000 1.042 85 V CB -0.925 30.865 31.823 -0.056 0.000 0.650 85 V HN 0.996 nan 8.190 nan 0.000 0.450 86 E N 0.275 120.455 120.200 -0.035 0.000 2.333 86 E HA -0.185 4.085 4.350 -0.133 0.000 0.198 86 E C 1.066 177.651 176.600 -0.025 0.000 1.007 86 E CA 0.994 57.378 56.400 -0.027 0.000 0.845 86 E CB -0.531 29.157 29.700 -0.020 0.000 0.766 86 E HN 0.644 nan 8.360 nan 0.000 0.507 87 N N -0.039 118.644 118.700 -0.027 0.000 2.203 87 N HA 0.049 4.709 4.740 -0.133 0.000 0.207 87 N C -0.625 174.855 175.510 -0.049 0.000 1.130 87 N CA -0.033 53.001 53.050 -0.025 0.000 0.861 87 N CB 0.621 39.105 38.487 -0.006 0.000 1.005 87 N HN 0.057 nan 8.380 nan 0.000 0.507 88 c N 1.863 120.427 118.600 -0.060 0.000 2.386 88 c HA 0.366 4.856 4.570 -0.133 0.000 0.318 88 c C 0.053 174.101 174.090 -0.069 0.000 1.128 88 c CA -0.337 55.941 56.329 -0.085 0.000 1.438 88 c CB -1.101 41.360 42.510 -0.081 0.000 1.987 88 c HN 0.166 nan 8.230 nan 0.000 0.426 89 T N 8.372 122.884 114.554 -0.070 0.000 2.752 89 T HA 0.239 4.509 4.350 -0.133 0.000 0.295 89 T C -2.471 172.205 174.700 -0.040 0.000 0.923 89 T CA -0.319 61.752 62.100 -0.049 0.000 1.112 89 T CB 0.629 69.474 68.868 -0.039 0.000 0.884 89 T HN 0.539 nan 8.240 nan 0.000 0.525 90 P HA 0.114 nan 4.420 nan 0.000 0.267 90 P C -0.186 177.120 177.300 0.009 0.000 1.205 90 P CA -0.251 62.838 63.100 -0.019 0.000 0.765 90 P CB 0.324 32.000 31.700 -0.040 0.000 0.828 91 N N 2.417 121.145 118.700 0.046 0.000 2.816 91 N HA 0.188 4.848 4.740 -0.133 0.000 0.236 91 N C 1.449 177.036 175.510 0.129 0.000 1.076 91 N CA -0.270 52.832 53.050 0.087 0.000 0.902 91 N CB -0.168 38.384 38.487 0.108 0.000 1.149 91 N HN 0.372 nan 8.380 nan 0.000 0.506 92 G N 0.776 109.639 108.800 0.105 0.000 2.450 92 G HA2 -0.307 3.573 3.960 -0.133 0.000 0.220 92 G HA3 -0.307 3.573 3.960 -0.133 0.000 0.220 92 G C 1.282 176.296 174.900 0.189 0.000 1.130 92 G CA 0.960 46.137 45.100 0.129 0.000 0.760 92 G HN 0.719 nan 8.290 nan 0.000 0.557 93 H N -0.046 119.078 119.070 0.089 0.000 2.352 93 H HA -0.038 4.437 4.556 -0.134 0.000 0.299 93 H C 2.318 177.693 175.328 0.079 0.000 1.097 93 H CA 1.586 57.677 56.048 0.072 0.000 1.311 93 H CB -0.196 29.588 29.762 0.037 0.000 1.377 93 H HN 0.238 nan 8.280 nan 0.000 0.504 94 L N 0.006 121.277 121.223 0.080 0.000 2.046 94 L HA -0.159 4.101 4.340 -0.133 0.000 0.208 94 L C 2.401 179.275 176.870 0.007 0.000 1.077 94 L CA 1.949 56.802 54.840 0.022 0.000 0.747 94 L CB -1.105 41.036 42.059 0.137 0.000 0.896 94 L HN 0.547 nan 8.230 nan 0.000 0.432 95 W N 0.691 121.971 121.300 -0.033 0.000 2.317 95 W HA -0.329 4.252 4.660 -0.131 0.000 0.318 95 W C 2.186 178.683 176.519 -0.036 0.000 1.227 95 W CA 2.138 59.470 57.345 -0.023 0.000 1.269 95 W CB -0.411 29.054 29.460 0.008 0.000 1.155 95 W HN 0.361 nan 8.180 nan 0.000 0.484 96 N N 0.457 119.197 118.700 0.066 0.000 2.120 96 N HA -0.172 4.488 4.740 -0.133 0.000 0.188 96 N C 1.713 177.112 175.510 -0.185 0.000 1.024 96 N CA 2.005 55.039 53.050 -0.027 0.000 0.852 96 N CB -1.083 37.420 38.487 0.026 0.000 1.003 96 N HN 0.074 nan 8.380 nan 0.000 0.424 97 V N 1.580 121.311 119.914 -0.304 0.000 2.343 97 V HA -0.191 3.849 4.120 -0.133 0.000 0.247 97 V C 2.379 178.319 176.094 -0.257 0.000 1.051 97 V CA 1.258 63.378 62.300 -0.300 0.000 1.036 97 V CB -0.354 31.240 31.823 -0.380 0.000 0.654 97 V HN 0.252 nan 8.190 nan 0.000 0.451 98 M N 0.030 119.428 119.600 -0.337 0.000 2.099 98 M HA -0.106 4.294 4.480 -0.133 0.000 0.262 98 M C 2.404 178.561 176.300 -0.237 0.000 1.067 98 M CA 1.959 57.020 55.300 -0.398 0.000 1.124 98 M CB -1.165 31.154 32.600 -0.467 0.000 1.353 98 M HN 0.564 nan 8.290 nan 0.000 0.410 99 I N -1.583 118.782 120.570 -0.343 0.000 2.315 99 I HA -0.099 3.991 4.170 -0.133 0.000 0.248 99 I C 2.094 178.245 176.117 0.057 0.000 1.117 99 I CA 1.511 62.730 61.300 -0.136 0.000 1.404 99 I CB -1.606 36.264 38.000 -0.218 0.000 1.071 99 I HN 0.054 nan 8.210 nan 0.000 0.419 100 T N 1.298 115.864 114.554 0.021 0.000 2.708 100 T HA -0.031 4.239 4.350 -0.133 0.000 0.266 100 T C 1.955 176.744 174.700 0.148 0.000 1.037 100 T CA 1.689 63.847 62.100 0.097 0.000 1.146 100 T CB -1.085 67.807 68.868 0.040 0.000 0.865 100 T HN 0.635 nan 8.240 nan 0.000 0.435 101 G N 0.740 109.623 108.800 0.139 0.000 2.446 101 G HA2 -0.317 3.563 3.960 -0.133 0.000 0.217 101 G HA3 -0.317 3.563 3.960 -0.133 0.000 0.217 101 G C 1.322 176.448 174.900 0.376 0.000 1.168 101 G CA 1.430 46.703 45.100 0.288 0.000 0.771 101 G HN 0.619 nan 8.290 nan 0.000 0.551 102 H N 0.841 120.088 119.070 0.296 0.000 2.290 102 H HA -0.004 4.471 4.556 -0.134 0.000 0.298 102 H C 2.647 178.009 175.328 0.056 0.000 1.087 102 H CA 2.271 58.437 56.048 0.196 0.000 1.291 102 H CB -0.768 29.092 29.762 0.163 0.000 1.369 102 H HN 0.203 nan 8.280 nan 0.000 0.492 103 G N 0.458 109.124 108.800 -0.224 0.000 2.404 103 G HA2 -0.180 3.700 3.960 -0.133 0.000 0.215 103 G HA3 -0.180 3.700 3.960 -0.133 0.000 0.215 103 G C 1.943 176.673 174.900 -0.284 0.000 1.174 103 G CA 0.956 45.778 45.100 -0.463 0.000 0.780 103 G HN 0.479 nan 8.290 nan 0.000 0.537 104 I N 0.448 121.083 120.570 0.108 0.000 2.179 104 I HA -0.152 3.938 4.170 -0.133 0.000 0.242 104 I C 2.767 179.085 176.117 0.335 0.000 1.088 104 I CA 0.724 62.236 61.300 0.353 0.000 1.357 104 I CB -0.232 38.011 38.000 0.405 0.000 1.051 104 I HN 0.131 nan 8.210 nan 0.000 0.409 105 L N -0.530 120.863 121.223 0.284 0.000 2.013 105 L HA -0.279 3.981 4.340 -0.133 0.000 0.212 105 L C 2.733 179.679 176.870 0.127 0.000 1.073 105 L CA 1.263 56.296 54.840 0.322 0.000 0.753 105 L CB -0.568 41.585 42.059 0.156 0.000 0.890 105 L HN 0.299 nan 8.230 nan 0.000 0.432 106 M N -1.100 118.435 119.600 -0.108 0.000 2.086 106 M HA -0.184 4.216 4.480 -0.133 0.000 0.261 106 M C 2.290 178.390 176.300 -0.333 0.000 1.067 106 M CA 1.841 56.998 55.300 -0.238 0.000 1.116 106 M CB -0.840 31.509 32.600 -0.419 0.000 1.348 106 M HN 0.241 nan 8.290 nan 0.000 0.407 107 M N -1.734 117.557 119.600 -0.515 0.000 2.349 107 M HA -0.032 4.368 4.480 -0.133 0.000 0.266 107 M C 1.637 177.450 176.300 -0.811 0.000 1.076 107 M CA 1.299 56.126 55.300 -0.788 0.000 1.126 107 M CB -0.910 30.932 32.600 -1.263 0.000 1.392 107 M HN 0.134 nan 8.290 nan 0.000 0.440 108 F N -2.295 117.452 119.950 -0.339 0.000 2.711 108 F HA 0.168 4.616 4.527 -0.132 0.000 0.296 108 F C 1.095 176.480 175.800 -0.692 0.000 1.096 108 F CA 0.110 57.747 58.000 -0.606 0.000 1.280 108 F CB 0.145 38.559 39.000 -0.978 0.000 1.060 108 F HN -0.108 nan 8.300 nan 0.000 0.608 109 F N -1.614 118.486 119.950 0.251 0.000 2.729 109 F HA 0.336 4.783 4.527 -0.132 0.000 0.315 109 F C 0.949 176.909 175.800 0.267 0.000 1.102 109 F CA -0.222 57.998 58.000 0.366 0.000 1.204 109 F CB -0.139 39.074 39.000 0.356 0.000 1.052 109 F HN -0.280 nan 8.300 nan 0.000 0.551 110 V N -1.233 118.791 119.914 0.183 0.000 3.927 110 V HA -0.008 4.032 4.120 -0.133 0.000 0.190 110 V C 2.001 178.099 176.094 0.007 0.000 1.201 110 V CA 0.834 63.201 62.300 0.111 0.000 1.324 110 V CB -0.173 31.680 31.823 0.050 0.000 1.545 110 V HN -0.048 nan 8.190 nan 0.000 0.534 111 V N -0.785 119.084 119.914 -0.075 0.000 2.453 111 V HA -0.074 3.966 4.120 -0.133 0.000 0.247 111 V C 2.118 178.168 176.094 -0.073 0.000 1.048 111 V CA 1.864 64.109 62.300 -0.091 0.000 1.049 111 V CB -0.731 31.008 31.823 -0.140 0.000 0.672 111 V HN 0.466 nan 8.190 nan 0.000 0.457 112 I N 0.529 121.033 120.570 -0.110 0.000 2.233 112 I HA -0.040 4.050 4.170 -0.133 0.000 0.243 112 I C 0.047 176.124 176.117 -0.067 0.000 1.093 112 I CA 1.400 62.645 61.300 -0.091 0.000 1.380 112 I CB -1.465 36.437 38.000 -0.163 0.000 1.067 112 I HN 0.317 nan 8.210 nan 0.000 0.413 113 P HA -0.207 nan 4.420 nan 0.000 0.216 113 P C 1.383 178.619 177.300 -0.108 0.000 1.150 113 P CA 1.888 64.854 63.100 -0.224 0.000 0.843 113 P CB -0.016 31.434 31.700 -0.416 0.000 0.787 114 A N -1.158 121.639 122.820 -0.040 0.000 1.872 114 A HA -0.105 4.135 4.320 -0.133 0.000 0.214 114 A C 2.198 179.754 177.584 -0.046 0.000 1.187 114 A CA 1.303 53.305 52.037 -0.059 0.000 0.614 114 A CB -1.456 17.520 19.000 -0.040 0.000 0.826 114 A HN 0.101 nan 8.150 nan 0.000 0.442 115 L N -2.635 118.641 121.223 0.088 0.000 2.049 115 L HA -0.007 4.253 4.340 -0.133 0.000 0.203 115 L C 2.444 179.500 176.870 0.309 0.000 1.074 115 L CA 1.333 56.343 54.840 0.284 0.000 0.749 115 L CB -0.433 41.773 42.059 0.244 0.000 0.907 115 L HN 0.476 nan 8.230 nan 0.000 0.439 116 F N 0.422 120.375 119.950 0.004 0.000 2.123 116 F HA 0.059 4.505 4.527 -0.136 0.000 0.289 116 F C 2.277 177.975 175.800 -0.170 0.000 1.099 116 F CA 1.424 59.393 58.000 -0.052 0.000 1.234 116 F CB -0.704 38.229 39.000 -0.111 0.000 1.034 116 F HN -0.059 nan 8.300 nan 0.000 0.479 117 G N -0.524 108.091 108.800 -0.308 0.000 2.432 117 G HA2 -0.092 3.788 3.960 -0.133 0.000 0.219 117 G HA3 -0.092 3.788 3.960 -0.133 0.000 0.219 117 G C 1.652 176.247 174.900 -0.508 0.000 1.135 117 G CA 0.805 45.329 45.100 -0.961 0.000 0.767 117 G HN 0.644 nan 8.290 nan 0.000 0.550 118 G N 0.328 108.997 108.800 -0.218 0.000 2.632 118 G HA2 0.172 4.052 3.960 -0.133 0.000 0.220 118 G HA3 0.172 4.052 3.960 -0.133 0.000 0.220 118 G C 1.374 176.243 174.900 -0.051 0.000 1.439 118 G CA 0.368 45.389 45.100 -0.132 0.000 0.934 118 G HN 0.158 nan 8.290 nan 0.000 0.536 119 F N 2.151 122.197 119.950 0.160 0.000 2.161 119 F HA 0.023 4.471 4.527 -0.131 0.000 0.300 119 F C 2.899 178.915 175.800 0.359 0.000 1.089 119 F CA 0.808 58.960 58.000 0.253 0.000 1.282 119 F CB -0.965 38.202 39.000 0.278 0.000 1.010 119 F HN 0.218 nan 8.300 nan 0.000 0.485 120 G N 0.106 109.174 108.800 0.448 0.000 2.480 120 G HA2 -0.299 3.581 3.960 -0.133 0.000 0.216 120 G HA3 -0.299 3.581 3.960 -0.133 0.000 0.216 120 G C 1.765 176.683 174.900 0.030 0.000 1.200 120 G CA 1.091 46.282 45.100 0.152 0.000 0.782 120 G HN 0.264 nan 8.290 nan 0.000 0.554 121 N N -0.577 118.086 118.700 -0.061 0.000 2.166 121 N HA -0.107 4.553 4.740 -0.133 0.000 0.186 121 N C 1.879 177.447 175.510 0.097 0.000 1.019 121 N CA 1.033 54.075 53.050 -0.013 0.000 0.856 121 N CB -0.329 38.157 38.487 -0.001 0.000 0.993 121 N HN 0.439 nan 8.380 nan 0.000 0.426 122 Y N -0.117 120.133 120.300 -0.083 0.000 2.153 122 Y HA -0.092 4.377 4.550 -0.134 0.000 0.289 122 Y C 1.664 177.271 175.900 -0.489 0.000 1.127 122 Y CA 1.580 59.461 58.100 -0.365 0.000 1.131 122 Y CB -0.260 37.808 38.460 -0.653 0.000 0.995 122 Y HN -0.087 nan 8.280 nan 0.000 0.505 123 F N -2.177 117.806 119.950 0.054 0.000 2.559 123 F HA -0.026 4.421 4.527 -0.132 0.000 0.286 123 F C 2.319 177.969 175.800 -0.250 0.000 1.108 123 F CA 0.437 58.270 58.000 -0.278 0.000 1.436 123 F CB -0.501 37.995 39.000 -0.839 0.000 1.130 123 F HN -0.008 nan 8.300 nan 0.000 0.584 124 M N 1.599 121.322 119.600 0.205 0.000 2.073 124 M HA -0.130 4.270 4.480 -0.133 0.000 0.258 124 M C -1.011 175.318 176.300 0.049 0.000 1.070 124 M CA 2.339 57.745 55.300 0.178 0.000 1.103 124 M CB -1.742 30.916 32.600 0.096 0.000 1.321 124 M HN -0.086 nan 8.290 nan 0.000 0.405 125 P HA -0.096 nan 4.420 nan 0.000 0.218 125 P C 1.808 179.077 177.300 -0.051 0.000 1.149 125 P CA 1.188 64.154 63.100 -0.222 0.000 0.817 125 P CB -0.247 31.037 31.700 -0.694 0.000 0.785 126 L N -1.683 119.573 121.223 0.056 0.000 2.056 126 L HA -0.185 4.075 4.340 -0.133 0.000 0.207 126 L C 2.483 179.555 176.870 0.336 0.000 1.078 126 L CA 1.616 56.634 54.840 0.296 0.000 0.749 126 L CB -1.194 40.955 42.059 0.151 0.000 0.901 126 L HN 0.154 nan 8.230 nan 0.000 0.433 127 H N 0.063 119.285 119.070 0.254 0.000 2.421 127 H HA -0.094 4.383 4.556 -0.132 0.000 0.298 127 H C 2.069 177.434 175.328 0.061 0.000 1.087 127 H CA 1.302 57.497 56.048 0.246 0.000 1.330 127 H CB 0.122 30.114 29.762 0.383 0.000 1.388 127 H HN 0.453 nan 8.280 nan 0.000 0.526 128 I N -3.279 117.323 120.570 0.053 0.000 3.883 128 I HA 0.370 4.460 4.170 -0.133 0.000 0.326 128 I C 1.200 177.129 176.117 -0.314 0.000 1.283 128 I CA 0.430 61.626 61.300 -0.173 0.000 1.161 128 I CB 0.602 38.420 38.000 -0.304 0.000 1.012 128 I HN 0.166 nan 8.210 nan 0.000 0.421 129 G N 1.897 110.430 108.800 -0.446 0.000 2.176 129 G HA2 -0.209 3.671 3.960 -0.133 0.000 0.252 129 G HA3 -0.209 3.671 3.960 -0.133 0.000 0.252 129 G C 0.275 174.722 174.900 -0.754 0.000 1.024 129 G CA 0.074 44.531 45.100 -1.071 0.000 0.755 129 G HN 0.945 nan 8.290 nan 0.000 0.507 130 A N 0.490 123.097 122.820 -0.354 0.000 2.320 130 A HA 0.773 5.013 4.320 -0.133 0.000 0.287 130 A C -0.115 177.483 177.584 0.023 0.000 1.181 130 A CA -0.845 51.083 52.037 -0.182 0.000 0.831 130 A CB 0.960 19.841 19.000 -0.199 0.000 1.102 130 A HN 0.134 nan 8.150 nan 0.000 0.513 131 P HA 0.073 nan 4.420 nan 0.000 0.223 131 P C 0.367 177.687 177.300 0.033 0.000 1.151 131 P CA 1.692 64.875 63.100 0.138 0.000 0.787 131 P CB 0.293 32.044 31.700 0.085 0.000 0.788 132 A N -1.274 121.515 122.820 -0.053 0.000 2.602 132 A HA 0.698 4.938 4.320 -0.133 0.000 0.290 132 A C -0.724 176.766 177.584 -0.156 0.000 1.114 132 A CA -0.742 51.248 52.037 -0.078 0.000 0.683 132 A CB 0.833 19.808 19.000 -0.041 0.000 1.281 132 A HN -0.152 nan 8.150 nan 0.000 0.416 133 M N 0.940 120.454 119.600 -0.143 0.000 2.444 133 M HA 0.440 4.840 4.480 -0.133 0.000 0.319 133 M C 1.522 177.714 176.300 -0.179 0.000 1.183 133 M CA -0.070 55.138 55.300 -0.154 0.000 1.032 133 M CB 1.639 34.179 32.600 -0.100 0.000 1.569 133 M HN 0.991 nan 8.290 nan 0.000 0.468 134 A N 1.679 124.331 122.820 -0.281 0.000 1.892 134 A HA -0.113 4.127 4.320 -0.133 0.000 0.218 134 A C 0.535 177.649 177.584 -0.785 0.000 1.188 134 A CA 1.861 53.520 52.037 -0.630 0.000 0.631 134 A CB -0.346 18.125 19.000 -0.882 0.000 0.822 134 A HN 0.650 nan 8.150 nan 0.000 0.447 135 F N -1.675 118.288 119.950 0.022 0.000 2.622 135 F HA 0.373 4.820 4.527 -0.134 0.000 0.338 135 F C -2.141 173.689 175.800 0.050 0.000 1.334 135 F CA -2.256 55.767 58.000 0.038 0.000 1.179 135 F CB 1.131 40.159 39.000 0.046 0.000 1.471 135 F HN 0.007 nan 8.300 nan 0.000 0.576 136 P HA -0.213 nan 4.420 nan 0.000 0.216 136 P C 1.398 178.790 177.300 0.154 0.000 1.150 136 P CA 1.605 64.778 63.100 0.122 0.000 0.837 136 P CB 0.233 31.976 31.700 0.072 0.000 0.786 137 R N -0.746 119.853 120.500 0.164 0.000 2.092 137 R HA 0.005 4.265 4.340 -0.133 0.000 0.231 137 R C 2.258 178.667 176.300 0.182 0.000 1.119 137 R CA 1.297 57.493 56.100 0.161 0.000 0.970 137 R CB -2.142 28.240 30.300 0.136 0.000 0.864 137 R HN 0.208 nan 8.270 nan 0.000 0.440 138 M N 0.849 120.565 119.600 0.193 0.000 2.175 138 M HA -0.072 4.328 4.480 -0.133 0.000 0.264 138 M C 1.506 177.930 176.300 0.208 0.000 1.063 138 M CA 1.577 56.979 55.300 0.170 0.000 1.119 138 M CB -0.121 32.555 32.600 0.127 0.000 1.377 138 M HN 0.200 nan 8.290 nan 0.000 0.415 139 N N 1.131 119.964 118.700 0.222 0.000 2.084 139 N HA -0.218 4.442 4.740 -0.133 0.000 0.190 139 N C 1.418 177.086 175.510 0.263 0.000 1.030 139 N CA 1.503 54.693 53.050 0.233 0.000 0.849 139 N CB -0.588 38.014 38.487 0.192 0.000 1.012 139 N HN 0.466 nan 8.380 nan 0.000 0.423 140 N N 0.324 119.168 118.700 0.240 0.000 2.166 140 N HA -0.146 4.514 4.740 -0.133 0.000 0.186 140 N C 1.757 177.500 175.510 0.388 0.000 1.019 140 N CA 0.639 53.857 53.050 0.279 0.000 0.856 140 N CB -0.147 38.508 38.487 0.280 0.000 0.993 140 N HN 0.226 nan 8.380 nan 0.000 0.426 141 L N 1.563 122.994 121.223 0.346 0.000 2.056 141 L HA -0.115 4.145 4.340 -0.133 0.000 0.207 141 L C 2.666 179.734 176.870 0.330 0.000 1.078 141 L CA 2.051 57.103 54.840 0.353 0.000 0.749 141 L CB -1.196 41.003 42.059 0.234 0.000 0.901 141 L HN 0.275 nan 8.230 nan 0.000 0.433 142 S N -1.275 114.609 115.700 0.305 0.000 2.374 142 S HA -0.358 4.032 4.470 -0.133 0.000 0.227 142 S C 2.179 177.012 174.600 0.388 0.000 1.037 142 S CA 1.655 60.059 58.200 0.341 0.000 1.024 142 S CB -1.359 62.059 63.200 0.362 0.000 0.861 142 S HN 0.601 nan 8.310 nan 0.000 0.456 143 Y N 0.874 121.276 120.300 0.169 0.000 2.181 143 Y HA -0.087 4.380 4.550 -0.139 0.000 0.288 143 Y C 1.964 177.776 175.900 -0.147 0.000 1.146 143 Y CA 1.479 59.459 58.100 -0.201 0.000 1.164 143 Y CB -0.758 37.383 38.460 -0.532 0.000 0.982 143 Y HN 0.345 nan 8.280 nan 0.000 0.515 144 W N 0.063 121.400 121.300 0.061 0.000 2.402 144 W HA -0.134 4.514 4.660 -0.019 0.000 0.286 144 W C 2.195 178.678 176.519 -0.059 0.000 1.221 144 W CA 1.019 58.331 57.345 -0.054 0.000 1.257 144 W CB -0.328 29.171 29.460 0.065 0.000 1.120 144 W HN 0.047 nan 8.180 nan 0.000 0.551 145 L N -0.989 120.383 121.223 0.248 0.000 2.093 145 L HA -0.254 4.006 4.340 -0.133 0.000 0.208 145 L C 2.402 179.408 176.870 0.227 0.000 1.085 145 L CA 1.202 56.170 54.840 0.214 0.000 0.755 145 L CB -1.243 40.951 42.059 0.225 0.000 0.904 145 L HN 0.062 nan 8.230 nan 0.000 0.435 146 Y N 0.904 121.256 120.300 0.087 0.000 2.097 146 Y HA -0.253 4.218 4.550 -0.131 0.000 0.282 146 Y C 2.372 178.264 175.900 -0.013 0.000 1.152 146 Y CA 1.669 59.841 58.100 0.121 0.000 1.136 146 Y CB -0.756 37.768 38.460 0.107 0.000 0.975 146 Y HN -0.140 nan 8.280 nan 0.000 0.498 147 V N 0.840 120.413 119.914 -0.569 0.000 2.343 147 V HA -0.303 3.737 4.120 -0.133 0.000 0.247 147 V C 2.775 178.709 176.094 -0.267 0.000 1.051 147 V CA 1.879 63.823 62.300 -0.593 0.000 1.036 147 V CB -1.705 29.807 31.823 -0.518 0.000 0.654 147 V HN 0.586 nan 8.190 nan 0.000 0.451 148 A N 0.516 123.289 122.820 -0.079 0.000 1.898 148 A HA -0.064 4.176 4.320 -0.133 0.000 0.216 148 A C 2.428 179.985 177.584 -0.045 0.000 1.181 148 A CA 1.848 53.870 52.037 -0.025 0.000 0.620 148 A CB -1.189 17.838 19.000 0.044 0.000 0.819 148 A HN 0.520 nan 8.150 nan 0.000 0.442 149 G N -0.946 107.864 108.800 0.016 0.000 2.418 149 G HA2 -0.166 3.714 3.960 -0.133 0.000 0.217 149 G HA3 -0.166 3.714 3.960 -0.133 0.000 0.217 149 G C 1.568 176.181 174.900 -0.477 0.000 1.158 149 G CA 1.681 46.826 45.100 0.074 0.000 0.771 149 G HN 0.438 nan 8.290 nan 0.000 0.545 150 T N 1.282 115.361 114.554 -0.792 0.000 2.746 150 T HA -0.095 4.175 4.350 -0.133 0.000 0.267 150 T C 2.845 177.244 174.700 -0.501 0.000 1.039 150 T CA 1.495 62.965 62.100 -1.050 0.000 1.142 150 T CB -0.286 68.133 68.868 -0.747 0.000 0.866 150 T HN 0.263 nan 8.240 nan 0.000 0.444 151 S N 1.491 117.008 115.700 -0.304 0.000 2.359 151 S HA 0.006 4.396 4.470 -0.133 0.000 0.224 151 S C 2.051 176.603 174.600 -0.079 0.000 1.035 151 S CA 0.943 59.054 58.200 -0.149 0.000 1.018 151 S CB -0.516 62.623 63.200 -0.102 0.000 0.876 151 S HN 0.351 nan 8.310 nan 0.000 0.448 152 L N 1.001 122.184 121.223 -0.066 0.000 2.056 152 L HA -0.125 4.135 4.340 -0.133 0.000 0.207 152 L C 2.831 179.717 176.870 0.028 0.000 1.078 152 L CA 1.153 56.010 54.840 0.028 0.000 0.749 152 L CB -0.776 41.341 42.059 0.097 0.000 0.901 152 L HN 0.337 nan 8.230 nan 0.000 0.433 153 A N -0.231 122.551 122.820 -0.062 0.000 1.908 153 A HA -0.162 4.078 4.320 -0.133 0.000 0.218 153 A C 2.301 179.907 177.584 0.036 0.000 1.181 153 A CA 1.916 53.950 52.037 -0.005 0.000 0.627 153 A CB -0.802 18.161 19.000 -0.061 0.000 0.818 153 A HN 0.211 nan 8.150 nan 0.000 0.445 154 V N -0.256 119.665 119.914 0.012 0.000 2.358 154 V HA -0.191 3.849 4.120 -0.133 0.000 0.246 154 V C 3.035 179.269 176.094 0.234 0.000 1.047 154 V CA 1.733 64.110 62.300 0.128 0.000 1.035 154 V CB -1.228 30.662 31.823 0.111 0.000 0.658 154 V HN 0.613 nan 8.190 nan 0.000 0.452 155 A N 0.965 123.891 122.820 0.176 0.000 1.940 155 A HA -0.243 3.997 4.320 -0.133 0.000 0.219 155 A C 2.563 180.267 177.584 0.200 0.000 1.176 155 A CA 2.317 54.489 52.037 0.224 0.000 0.631 155 A CB -0.836 18.249 19.000 0.142 0.000 0.814 155 A HN 0.704 nan 8.150 nan 0.000 0.446 156 S N 0.199 115.969 115.700 0.116 0.000 2.400 156 S HA -0.141 4.249 4.470 -0.133 0.000 0.232 156 S C 1.760 176.345 174.600 -0.025 0.000 1.025 156 S CA 1.539 59.770 58.200 0.052 0.000 0.993 156 S CB -0.816 62.411 63.200 0.045 0.000 0.808 156 S HN 0.484 nan 8.310 nan 0.000 0.478 157 L N -1.041 120.130 121.223 -0.087 0.000 2.275 157 L HA 0.107 4.367 4.340 -0.133 0.000 0.215 157 L C 1.320 177.856 176.870 -0.557 0.000 1.119 157 L CA 1.011 55.627 54.840 -0.373 0.000 0.790 157 L CB -0.460 41.248 42.059 -0.584 0.000 0.919 157 L HN 0.308 nan 8.230 nan 0.000 0.443 158 F N -0.452 119.500 119.950 0.003 0.000 2.654 158 F HA 0.400 4.847 4.527 -0.133 0.000 0.303 158 F C 0.999 176.784 175.800 -0.026 0.000 1.099 158 F CA -0.541 57.457 58.000 -0.003 0.000 1.270 158 F CB -0.009 38.993 39.000 0.004 0.000 1.024 158 F HN -0.153 nan 8.300 nan 0.000 0.548 159 A N 0.491 123.330 122.820 0.033 0.000 2.312 159 A HA 0.663 4.903 4.320 -0.133 0.000 0.328 159 A C -2.487 174.948 177.584 -0.249 0.000 1.158 159 A CA -1.866 50.091 52.037 -0.134 0.000 0.821 159 A CB 0.175 19.051 19.000 -0.207 0.000 1.170 159 A HN -0.118 nan 8.150 nan 0.000 0.490 160 P HA 0.167 nan 4.420 nan 0.000 0.260 160 P C 0.509 177.633 177.300 -0.293 0.000 1.172 160 P CA 1.175 64.103 63.100 -0.288 0.000 0.760 160 P CB 0.634 32.163 31.700 -0.285 0.000 0.773 161 G N 2.186 110.896 108.800 -0.151 0.000 3.107 161 G HA2 0.583 4.463 3.960 -0.133 0.000 0.233 161 G HA3 0.583 4.463 3.960 -0.133 0.000 0.233 161 G C -0.195 174.651 174.900 -0.089 0.000 1.168 161 G CA -0.340 44.708 45.100 -0.087 0.000 0.801 161 G HN 0.566 nan 8.290 nan 0.000 0.605 162 G N -0.437 108.352 108.800 -0.019 0.000 2.484 162 G HA2 0.324 4.204 3.960 -0.133 0.000 0.235 162 G HA3 0.324 4.204 3.960 -0.133 0.000 0.235 162 G C 0.467 175.135 174.900 -0.387 0.000 1.282 162 G CA 0.723 45.766 45.100 -0.095 0.000 0.857 162 G HN 0.933 nan 8.290 nan 0.000 0.571 163 N N -0.101 118.470 118.700 -0.216 0.000 2.714 163 N HA -0.243 4.417 4.740 -0.133 0.000 0.250 163 N C 1.435 176.824 175.510 -0.201 0.000 1.117 163 N CA 1.818 54.745 53.050 -0.206 0.000 0.719 163 N CB -1.271 37.073 38.487 -0.237 0.000 1.081 163 N HN 1.968 nan 8.380 nan 0.000 0.557 164 G N -0.624 108.077 108.800 -0.165 0.000 2.179 164 G HA2 -0.350 3.530 3.960 -0.133 0.000 0.257 164 G HA3 -0.350 3.530 3.960 -0.133 0.000 0.257 164 G C 0.136 174.959 174.900 -0.128 0.000 1.010 164 G CA 1.291 46.322 45.100 -0.115 0.000 0.736 164 G HN 0.629 nan 8.290 nan 0.000 0.513 165 Q N -1.408 118.259 119.800 -0.222 0.000 2.990 165 Q HA 0.785 5.045 4.340 -0.133 0.000 0.255 165 Q C 0.554 176.502 176.000 -0.087 0.000 1.040 165 Q CA -1.117 54.596 55.803 -0.149 0.000 0.897 165 Q CB 1.035 29.670 28.738 -0.172 0.000 1.429 165 Q HN 0.291 nan 8.270 nan 0.000 0.497 166 L N 0.314 121.545 121.223 0.013 0.000 2.379 166 L HA 0.662 4.922 4.340 -0.133 0.000 0.269 166 L C 0.519 177.459 176.870 0.117 0.000 1.084 166 L CA -0.360 54.491 54.840 0.019 0.000 0.802 166 L CB 0.715 42.776 42.059 0.003 0.000 1.175 166 L HN 0.885 nan 8.230 nan 0.000 0.448 167 G N 1.447 110.259 108.800 0.021 0.000 2.758 167 G HA2 -0.168 3.712 3.960 -0.133 0.000 0.686 167 G HA3 -0.168 3.712 3.960 -0.133 0.000 0.686 167 G C -0.669 174.269 174.900 0.063 0.000 1.389 167 G CA -0.807 44.286 45.100 -0.010 0.000 0.845 167 G HN 0.558 nan 8.290 nan 0.000 0.572 168 S N 0.201 115.892 115.700 -0.014 0.000 2.422 168 S HA 0.616 5.006 4.470 -0.133 0.000 0.308 168 S C 0.779 175.342 174.600 -0.062 0.000 1.097 168 S CA 0.210 58.413 58.200 0.006 0.000 1.099 168 S CB 1.758 64.955 63.200 -0.005 0.000 0.976 168 S HN 1.752 nan 8.310 nan 0.000 0.471 169 G N 2.224 110.989 108.800 -0.058 0.000 3.964 169 G HA2 0.460 4.340 3.960 -0.133 0.000 0.289 169 G HA3 0.460 4.340 3.960 -0.133 0.000 0.289 169 G C 0.458 175.357 174.900 -0.001 0.000 1.176 169 G CA -0.579 44.458 45.100 -0.105 0.000 1.553 169 G HN 0.848 nan 8.290 nan 0.000 0.588 170 I N -1.793 118.778 120.570 0.001 0.000 4.338 170 I HA 0.548 4.638 4.170 -0.133 0.000 0.329 170 I C 0.726 176.834 176.117 -0.015 0.000 1.378 170 I CA -0.199 61.102 61.300 0.002 0.000 1.170 170 I CB 0.418 38.410 38.000 -0.014 0.000 1.206 170 I HN 0.402 nan 8.210 nan 0.000 0.432 171 G N 2.140 110.949 108.800 0.015 0.000 2.705 171 G HA2 -0.262 3.618 3.960 -0.133 0.000 0.686 171 G HA3 -0.262 3.618 3.960 -0.133 0.000 0.686 171 G C -0.070 174.855 174.900 0.042 0.000 1.285 171 G CA -0.072 45.045 45.100 0.029 0.000 0.800 171 G HN 0.626 nan 8.290 nan 0.000 0.611 172 W N 0.874 122.150 121.300 -0.041 0.000 2.595 172 W HA 0.105 4.684 4.660 -0.135 0.000 0.257 172 W C 1.437 177.962 176.519 0.011 0.000 1.267 172 W CA 1.668 59.012 57.345 -0.002 0.000 1.300 172 W CB -1.124 28.323 29.460 -0.021 0.000 1.120 172 W HN 1.103 nan 8.180 nan 0.000 0.618 173 V N -0.307 119.143 119.914 -0.773 0.000 3.649 173 V HA 0.175 4.215 4.120 -0.133 0.000 0.275 173 V C 1.364 177.336 176.094 -0.203 0.000 1.281 173 V CA 0.147 61.990 62.300 -0.762 0.000 1.143 173 V CB -1.179 30.015 31.823 -1.047 0.000 0.892 173 V HN 0.196 nan 8.190 nan 0.000 0.441 174 L N -1.630 119.503 121.223 -0.151 0.000 3.634 174 L HA -0.214 4.046 4.340 -0.133 0.000 0.423 174 L C -0.154 176.606 176.870 -0.182 0.000 1.253 174 L CA 0.032 54.802 54.840 -0.116 0.000 0.885 174 L CB -2.781 39.203 42.059 -0.125 0.000 1.789 174 L HN 0.325 nan 8.230 nan 0.000 0.904 175 Y N 1.530 121.666 120.300 -0.274 0.000 2.721 175 Y HA 0.184 4.654 4.550 -0.134 0.000 0.329 175 Y C -1.132 174.540 175.900 -0.381 0.000 1.211 175 Y CA -2.089 55.814 58.100 -0.328 0.000 1.512 175 Y CB -0.034 38.371 38.460 -0.091 0.000 1.249 175 Y HN 0.115 nan 8.280 nan 0.000 0.549 176 P HA 0.232 nan 4.420 nan 0.000 0.280 176 P C -2.323 174.920 177.300 -0.095 0.000 1.272 176 P CA -2.021 60.931 63.100 -0.247 0.000 0.819 176 P CB 1.200 32.712 31.700 -0.315 0.000 1.122 177 P HA -0.009 nan 4.420 nan 0.000 0.230 177 P C 1.565 178.866 177.300 0.001 0.000 1.158 177 P CA 0.247 63.353 63.100 0.010 0.000 0.769 177 P CB -0.142 31.583 31.700 0.041 0.000 0.807 178 L N 0.776 122.003 121.223 0.008 0.000 2.012 178 L HA -0.220 4.040 4.340 -0.133 0.000 0.210 178 L C 2.261 179.123 176.870 -0.013 0.000 1.073 178 L CA 2.522 57.370 54.840 0.014 0.000 0.748 178 L CB -1.348 40.734 42.059 0.039 0.000 0.891 178 L HN 0.025 nan 8.230 nan 0.000 0.431 179 S N -2.221 113.446 115.700 -0.056 0.000 2.399 179 S HA -0.178 4.212 4.470 -0.133 0.000 0.231 179 S C 1.842 176.405 174.600 -0.062 0.000 1.022 179 S CA 1.317 59.470 58.200 -0.079 0.000 0.983 179 S CB -1.446 61.660 63.200 -0.157 0.000 0.803 179 S HN 0.685 nan 8.310 nan 0.000 0.480 180 T N 0.067 114.592 114.554 -0.048 0.000 3.067 180 T HA 0.095 4.365 4.350 -0.133 0.000 0.261 180 T C 1.828 176.525 174.700 -0.005 0.000 1.110 180 T CA 0.855 62.948 62.100 -0.012 0.000 1.113 180 T CB -0.412 68.477 68.868 0.035 0.000 0.917 180 T HN 0.613 nan 8.240 nan 0.000 0.499 181 S N -0.023 115.675 115.700 -0.003 0.000 2.524 181 S HA 0.213 4.603 4.470 -0.133 0.000 0.215 181 S C 0.459 175.059 174.600 -0.000 0.000 0.986 181 S CA -0.474 57.727 58.200 0.002 0.000 0.911 181 S CB -0.283 62.923 63.200 0.010 0.000 0.805 181 S HN 0.514 nan 8.310 nan 0.000 0.501 182 E N 3.531 123.730 120.200 -0.002 0.000 2.480 182 E HA 0.194 4.464 4.350 -0.133 0.000 0.258 182 E C 0.371 176.967 176.600 -0.007 0.000 0.984 182 E CA 0.030 56.432 56.400 0.003 0.000 0.930 182 E CB 0.481 30.187 29.700 0.010 0.000 0.936 182 E HN 0.524 nan 8.360 nan 0.000 0.466 183 S N 3.291 118.982 115.700 -0.014 0.000 2.617 183 S HA 0.665 5.055 4.470 -0.133 0.000 0.259 183 S C 0.866 175.449 174.600 -0.029 0.000 1.301 183 S CA -0.404 57.784 58.200 -0.019 0.000 0.984 183 S CB 0.946 64.130 63.200 -0.026 0.000 0.954 183 S HN 1.154 nan 8.310 nan 0.000 0.572 184 G N 0.489 109.280 108.800 -0.014 0.000 2.698 184 G HA2 -0.210 3.670 3.960 -0.133 0.000 0.233 184 G HA3 -0.210 3.670 3.960 -0.133 0.000 0.233 184 G C -0.185 174.730 174.900 0.025 0.000 1.352 184 G CA 0.320 45.400 45.100 -0.034 0.000 0.879 184 G HN 1.948 nan 8.290 nan 0.000 0.567 185 Y N -2.295 118.004 120.300 -0.002 0.000 2.557 185 Y HA 0.634 5.104 4.550 -0.134 0.000 0.247 185 Y C 2.325 178.224 175.900 -0.002 0.000 1.164 185 Y CA 0.783 58.877 58.100 -0.009 0.000 1.218 185 Y CB -0.243 38.222 38.460 0.008 0.000 1.210 185 Y HN 0.755 nan 8.280 nan 0.000 0.529 186 S N 0.947 116.527 115.700 -0.200 0.000 2.372 186 S HA -0.245 4.145 4.470 -0.133 0.000 0.227 186 S C 1.849 176.434 174.600 -0.025 0.000 1.044 186 S CA 2.640 60.776 58.200 -0.106 0.000 1.050 186 S CB -0.626 62.510 63.200 -0.108 0.000 0.901 186 S HN 0.677 nan 8.310 nan 0.000 0.447 187 T N 1.932 116.467 114.554 -0.032 0.000 2.821 187 T HA -0.074 4.196 4.350 -0.133 0.000 0.267 187 T C 1.409 176.054 174.700 -0.092 0.000 1.046 187 T CA 1.395 63.466 62.100 -0.047 0.000 1.139 187 T CB -0.485 68.354 68.868 -0.048 0.000 0.871 187 T HN 0.518 nan 8.240 nan 0.000 0.454 188 D N 1.331 121.674 120.400 -0.095 0.000 2.117 188 D HA -0.019 4.541 4.640 -0.133 0.000 0.198 188 D C 2.204 178.312 176.300 -0.319 0.000 0.982 188 D CA 0.807 54.646 54.000 -0.267 0.000 0.828 188 D CB -0.232 40.462 40.800 -0.176 0.000 0.967 188 D HN 0.333 nan 8.370 nan 0.000 0.464 189 L N 1.066 122.290 121.223 0.003 0.000 2.046 189 L HA -0.172 4.088 4.340 -0.133 0.000 0.208 189 L C 2.735 179.663 176.870 0.097 0.000 1.077 189 L CA 1.080 56.013 54.840 0.155 0.000 0.747 189 L CB -0.509 41.671 42.059 0.201 0.000 0.896 189 L HN -0.020 nan 8.230 nan 0.000 0.432 190 A N 0.379 123.214 122.820 0.025 0.000 1.908 190 A HA -0.206 4.034 4.320 -0.133 0.000 0.218 190 A C 2.201 179.763 177.584 -0.036 0.000 1.181 190 A CA 1.668 53.716 52.037 0.019 0.000 0.627 190 A CB -0.675 18.327 19.000 0.003 0.000 0.818 190 A HN 0.361 nan 8.150 nan 0.000 0.445 191 I N -1.631 118.860 120.570 -0.131 0.000 2.226 191 I HA -0.229 3.861 4.170 -0.133 0.000 0.245 191 I C 2.186 178.268 176.117 -0.059 0.000 1.100 191 I CA 1.131 62.310 61.300 -0.202 0.000 1.374 191 I CB -0.357 37.475 38.000 -0.280 0.000 1.057 191 I HN 0.267 nan 8.210 nan 0.000 0.413 192 F N 1.081 121.091 119.950 0.100 0.000 2.134 192 F HA -0.197 4.255 4.527 -0.124 0.000 0.299 192 F C 2.633 178.511 175.800 0.130 0.000 1.097 192 F CA 0.940 59.041 58.000 0.170 0.000 1.264 192 F CB -1.438 37.643 39.000 0.134 0.000 1.001 192 F HN 0.024 nan 8.300 nan 0.000 0.479 193 A N 0.101 123.087 122.820 0.276 0.000 1.892 193 A HA -0.181 4.059 4.320 -0.133 0.000 0.218 193 A C 2.451 180.184 177.584 0.248 0.000 1.188 193 A CA 2.349 54.540 52.037 0.256 0.000 0.631 193 A CB -1.286 17.847 19.000 0.222 0.000 0.822 193 A HN 0.185 nan 8.150 nan 0.000 0.447 194 V N -0.518 119.379 119.914 -0.028 0.000 2.427 194 V HA -0.224 3.816 4.120 -0.133 0.000 0.248 194 V C 2.435 178.394 176.094 -0.224 0.000 1.051 194 V CA 1.951 64.012 62.300 -0.398 0.000 1.048 194 V CB -1.088 30.293 31.823 -0.735 0.000 0.666 194 V HN 0.632 nan 8.190 nan 0.000 0.456 195 H N 0.016 119.069 119.070 -0.029 0.000 2.319 195 H HA -0.116 4.360 4.556 -0.133 0.000 0.299 195 H C 2.319 177.687 175.328 0.068 0.000 1.092 195 H CA 1.911 57.979 56.048 0.034 0.000 1.302 195 H CB -0.296 29.546 29.762 0.134 0.000 1.373 195 H HN 0.328 nan 8.280 nan 0.000 0.497 196 L N -0.313 121.065 121.223 0.258 0.000 2.046 196 L HA -0.165 4.095 4.340 -0.133 0.000 0.208 196 L C 2.839 179.858 176.870 0.249 0.000 1.077 196 L CA 1.259 56.236 54.840 0.229 0.000 0.747 196 L CB -0.452 41.741 42.059 0.224 0.000 0.896 196 L HN 0.190 nan 8.230 nan 0.000 0.432 197 S N 0.216 116.068 115.700 0.254 0.000 2.356 197 S HA -0.160 4.230 4.470 -0.133 0.000 0.223 197 S C 2.080 176.767 174.600 0.143 0.000 1.032 197 S CA 1.518 59.845 58.200 0.212 0.000 1.005 197 S CB -0.558 62.612 63.200 -0.050 0.000 0.867 197 S HN 0.503 nan 8.310 nan 0.000 0.449 198 G N 0.801 109.647 108.800 0.076 0.000 2.440 198 G HA2 -0.073 3.807 3.960 -0.133 0.000 0.218 198 G HA3 -0.073 3.807 3.960 -0.133 0.000 0.218 198 G C 1.711 176.674 174.900 0.105 0.000 1.154 198 G CA 1.083 46.226 45.100 0.071 0.000 0.767 198 G HN 0.744 nan 8.290 nan 0.000 0.552 199 A N 0.654 123.552 122.820 0.129 0.000 1.877 199 A HA -0.040 4.200 4.320 -0.133 0.000 0.216 199 A C 2.664 180.338 177.584 0.150 0.000 1.186 199 A CA 2.418 54.530 52.037 0.126 0.000 0.620 199 A CB -1.002 18.072 19.000 0.124 0.000 0.822 199 A HN 0.502 nan 8.150 nan 0.000 0.443 200 S N -0.316 115.503 115.700 0.198 0.000 2.365 200 S HA -0.175 4.215 4.470 -0.133 0.000 0.225 200 S C 2.239 176.971 174.600 0.220 0.000 1.039 200 S CA 2.215 60.566 58.200 0.252 0.000 1.033 200 S CB -0.495 62.910 63.200 0.341 0.000 0.887 200 S HN 0.561 nan 8.310 nan 0.000 0.447 201 S N 1.105 116.901 115.700 0.160 0.000 2.368 201 S HA 0.018 4.408 4.470 -0.133 0.000 0.225 201 S C 1.788 176.443 174.600 0.092 0.000 1.030 201 S CA 1.483 59.739 58.200 0.094 0.000 0.999 201 S CB -0.481 62.726 63.200 0.012 0.000 0.844 201 S HN 0.540 nan 8.310 nan 0.000 0.459 202 I N 1.461 122.082 120.570 0.084 0.000 2.179 202 I HA -0.183 3.907 4.170 -0.133 0.000 0.242 202 I C 2.100 178.263 176.117 0.077 0.000 1.088 202 I CA 1.048 62.386 61.300 0.063 0.000 1.357 202 I CB -0.349 37.685 38.000 0.057 0.000 1.051 202 I HN 0.232 nan 8.210 nan 0.000 0.409 203 L N 0.184 121.468 121.223 0.101 0.000 2.012 203 L HA -0.195 4.065 4.340 -0.133 0.000 0.210 203 L C 2.678 179.636 176.870 0.147 0.000 1.073 203 L CA 1.791 56.693 54.840 0.103 0.000 0.748 203 L CB -1.403 40.733 42.059 0.127 0.000 0.891 203 L HN 0.364 nan 8.230 nan 0.000 0.431 204 G N -0.458 108.467 108.800 0.208 0.000 2.446 204 G HA2 -0.258 3.622 3.960 -0.133 0.000 0.217 204 G HA3 -0.258 3.622 3.960 -0.133 0.000 0.217 204 G C 1.778 176.844 174.900 0.277 0.000 1.168 204 G CA 0.878 46.130 45.100 0.253 0.000 0.771 204 G HN 0.483 nan 8.290 nan 0.000 0.551 205 A N 0.700 123.695 122.820 0.292 0.000 1.908 205 A HA 0.013 4.253 4.320 -0.133 0.000 0.218 205 A C 2.422 180.020 177.584 0.025 0.000 1.181 205 A CA 1.409 53.560 52.037 0.190 0.000 0.627 205 A CB -0.375 18.633 19.000 0.013 0.000 0.818 205 A HN 0.387 nan 8.150 nan 0.000 0.445 206 I N -0.344 120.242 120.570 0.026 0.000 2.179 206 I HA -0.266 3.824 4.170 -0.133 0.000 0.242 206 I C 2.460 178.667 176.117 0.151 0.000 1.088 206 I CA 1.583 62.895 61.300 0.020 0.000 1.357 206 I CB -0.451 37.547 38.000 -0.004 0.000 1.051 206 I HN 0.386 nan 8.210 nan 0.000 0.409 207 N N 0.856 119.683 118.700 0.211 0.000 2.061 207 N HA -0.224 4.436 4.740 -0.133 0.000 0.193 207 N C 1.838 177.428 175.510 0.133 0.000 1.030 207 N CA 1.853 55.063 53.050 0.267 0.000 0.856 207 N CB -0.083 38.536 38.487 0.220 0.000 1.023 207 N HN 0.106 nan 8.380 nan 0.000 0.424 208 M N -0.131 119.516 119.600 0.078 0.000 2.117 208 M HA -0.069 4.331 4.480 -0.133 0.000 0.262 208 M C 2.208 178.599 176.300 0.152 0.000 1.065 208 M CA 1.030 56.363 55.300 0.054 0.000 1.114 208 M CB -0.935 31.669 32.600 0.006 0.000 1.361 208 M HN 0.210 nan 8.290 nan 0.000 0.408 209 I N -0.169 120.455 120.570 0.089 0.000 2.202 209 I HA -0.255 3.834 4.170 -0.133 0.000 0.242 209 I C 2.275 178.561 176.117 0.282 0.000 1.091 209 I CA 1.301 62.697 61.300 0.161 0.000 1.368 209 I CB -0.475 37.332 38.000 -0.322 0.000 1.058 209 I HN 0.295 nan 8.210 nan 0.000 0.410 210 T N -0.291 114.372 114.554 0.181 0.000 2.777 210 T HA -0.156 4.114 4.350 -0.133 0.000 0.266 210 T C 1.897 176.633 174.700 0.059 0.000 1.040 210 T CA 1.946 64.135 62.100 0.148 0.000 1.141 210 T CB -0.420 68.559 68.868 0.185 0.000 0.868 210 T HN 0.341 nan 8.240 nan 0.000 0.444 211 T N 1.795 116.367 114.554 0.031 0.000 2.684 211 T HA -0.069 4.201 4.350 -0.133 0.000 0.267 211 T C 1.554 176.247 174.700 -0.012 0.000 1.036 211 T CA 1.118 63.197 62.100 -0.036 0.000 1.148 211 T CB -0.581 68.256 68.868 -0.053 0.000 0.863 211 T HN 0.350 nan 8.240 nan 0.000 0.436 212 F N 1.146 121.044 119.950 -0.087 0.000 2.171 212 F HA 0.014 4.460 4.527 -0.134 0.000 0.300 212 F C 1.877 177.529 175.800 -0.247 0.000 1.090 212 F CA 1.111 58.982 58.000 -0.214 0.000 1.293 212 F CB -0.214 38.614 39.000 -0.287 0.000 1.013 212 F HN 0.066 nan 8.300 nan 0.000 0.486 213 L N -0.517 120.777 121.223 0.117 0.000 2.162 213 L HA -0.090 4.170 4.340 -0.133 0.000 0.205 213 L C 1.528 178.384 176.870 -0.023 0.000 1.086 213 L CA 0.798 55.688 54.840 0.083 0.000 0.778 213 L CB -0.439 41.770 42.059 0.249 0.000 0.928 213 L HN 0.086 nan 8.230 nan 0.000 0.446 214 N N -1.011 117.668 118.700 -0.035 0.000 2.322 214 N HA 0.120 4.780 4.740 -0.133 0.000 0.181 214 N C 1.138 176.583 175.510 -0.108 0.000 1.088 214 N CA 0.602 53.617 53.050 -0.059 0.000 0.885 214 N CB 0.665 39.126 38.487 -0.042 0.000 1.013 214 N HN 0.261 nan 8.380 nan 0.000 0.472 215 M N -0.035 119.476 119.600 -0.148 0.000 2.416 215 M HA 0.227 4.627 4.480 -0.133 0.000 0.337 215 M C -0.162 176.010 176.300 -0.214 0.000 1.074 215 M CA -0.239 54.962 55.300 -0.166 0.000 0.968 215 M CB 1.162 33.666 32.600 -0.160 0.000 1.472 215 M HN -0.195 nan 8.290 nan 0.000 0.539 216 R N 1.191 121.532 120.500 -0.265 0.000 2.756 216 R HA 0.328 4.588 4.340 -0.133 0.000 0.264 216 R C 0.408 176.560 176.300 -0.247 0.000 1.026 216 R CA -0.022 55.893 56.100 -0.308 0.000 1.121 216 R CB 0.436 30.515 30.300 -0.368 0.000 0.999 216 R HN 0.275 nan 8.270 nan 0.000 0.449 217 A N 4.373 127.029 122.820 -0.272 0.000 2.425 217 A HA 0.221 4.461 4.320 -0.133 0.000 0.242 217 A C -2.002 175.480 177.584 -0.170 0.000 1.077 217 A CA -1.204 50.691 52.037 -0.236 0.000 0.781 217 A CB -0.224 18.596 19.000 -0.301 0.000 1.020 217 A HN 0.434 nan 8.150 nan 0.000 0.494 218 P HA 0.220 nan 4.420 nan 0.000 0.261 218 P C 1.056 178.303 177.300 -0.088 0.000 1.183 218 P CA 1.963 65.008 63.100 -0.092 0.000 0.761 218 P CB 0.462 32.120 31.700 -0.069 0.000 0.785 219 G N 3.165 111.919 108.800 -0.077 0.000 2.284 219 G HA2 -0.309 3.571 3.960 -0.133 0.000 0.230 219 G HA3 -0.309 3.571 3.960 -0.133 0.000 0.230 219 G C 0.331 175.183 174.900 -0.080 0.000 1.021 219 G CA 0.094 45.154 45.100 -0.066 0.000 0.619 219 G HN 0.569 nan 8.290 nan 0.000 0.510 220 M N 3.889 123.420 119.600 -0.115 0.000 3.042 220 M HA 0.488 4.888 4.480 -0.133 0.000 0.283 220 M C 1.169 177.382 176.300 -0.145 0.000 1.473 220 M CA 0.588 55.803 55.300 -0.141 0.000 1.583 220 M CB -0.583 31.897 32.600 -0.201 0.000 1.221 220 M HN 0.569 nan 8.290 nan 0.000 0.518 221 T N 0.842 115.344 114.554 -0.087 0.000 2.816 221 T HA 0.264 4.533 4.350 -0.133 0.000 0.282 221 T C 1.140 175.823 174.700 -0.027 0.000 0.993 221 T CA -0.785 61.282 62.100 -0.053 0.000 0.994 221 T CB 0.851 69.717 68.868 -0.002 0.000 1.025 221 T HN 0.617 nan 8.240 nan 0.000 0.529 222 M N 1.443 121.066 119.600 0.038 0.000 2.143 222 M HA -0.097 4.303 4.480 -0.133 0.000 0.258 222 M C 2.576 179.135 176.300 0.431 0.000 1.071 222 M CA 2.594 58.009 55.300 0.192 0.000 1.088 222 M CB -1.432 31.355 32.600 0.313 0.000 1.360 222 M HN 1.011 nan 8.290 nan 0.000 0.404 223 H N -1.594 117.664 119.070 0.313 0.000 2.533 223 H HA 0.217 4.693 4.556 -0.133 0.000 0.271 223 H C 1.331 176.766 175.328 0.179 0.000 1.000 223 H CA 0.766 57.033 56.048 0.364 0.000 1.149 223 H CB -0.313 29.585 29.762 0.226 0.000 1.375 223 H HN 0.201 nan 8.280 nan 0.000 0.582 224 K N 0.204 120.675 120.400 0.118 0.000 2.402 224 K HA 0.212 4.452 4.320 -0.133 0.000 0.204 224 K C -0.123 176.501 176.600 0.039 0.000 1.056 224 K CA 0.115 56.393 56.287 -0.016 0.000 1.069 224 K CB 0.881 33.354 32.500 -0.046 0.000 0.888 224 K HN 0.362 nan 8.250 nan 0.000 0.546 225 V N 4.706 124.706 119.914 0.142 0.000 2.572 225 V HA 0.086 4.126 4.120 -0.133 0.000 0.291 225 V C -2.188 174.116 176.094 0.349 0.000 1.039 225 V CA -1.398 60.939 62.300 0.062 0.000 1.055 225 V CB 0.540 32.169 31.823 -0.323 0.000 0.969 225 V HN 0.032 nan 8.190 nan 0.000 0.482 226 P HA 0.144 nan 4.420 nan 0.000 0.269 226 P C 1.028 178.728 177.300 0.666 0.000 1.215 226 P CA -0.150 63.203 63.100 0.421 0.000 0.780 226 P CB 0.584 32.446 31.700 0.272 0.000 0.898 227 L N 1.068 122.719 121.223 0.713 0.000 2.081 227 L HA -0.216 4.044 4.340 -0.133 0.000 0.212 227 L C 2.159 179.435 176.870 0.676 0.000 1.080 227 L CA 1.560 56.799 54.840 0.665 0.000 0.754 227 L CB -0.625 41.735 42.059 0.501 0.000 0.893 227 L HN 0.380 nan 8.230 nan 0.000 0.433 228 F N 0.717 121.030 119.950 0.605 0.000 2.134 228 F HA -0.212 4.234 4.527 -0.134 0.000 0.299 228 F C 2.398 178.466 175.800 0.445 0.000 1.097 228 F CA 1.250 59.472 58.000 0.369 0.000 1.264 228 F CB -0.276 38.746 39.000 0.035 0.000 1.001 228 F HN -0.006 nan 8.300 nan 0.000 0.479 229 A N -0.689 122.398 122.820 0.444 0.000 1.930 229 A HA -0.186 4.054 4.320 -0.133 0.000 0.217 229 A C 2.157 179.901 177.584 0.267 0.000 1.175 229 A CA 1.399 53.615 52.037 0.298 0.000 0.627 229 A CB -1.671 17.564 19.000 0.392 0.000 0.815 229 A HN 0.664 nan 8.150 nan 0.000 0.443 230 W N 0.967 122.461 121.300 0.323 0.000 2.358 230 W HA -0.232 4.348 4.660 -0.133 0.000 0.303 230 W C 3.044 179.647 176.519 0.141 0.000 1.208 230 W CA 1.994 59.472 57.345 0.221 0.000 1.274 230 W CB -0.147 29.435 29.460 0.203 0.000 1.138 230 W HN 0.502 nan 8.180 nan 0.000 0.515 231 S N 0.049 115.963 115.700 0.356 0.000 2.370 231 S HA -0.221 4.168 4.470 -0.133 0.000 0.226 231 S C 1.708 176.385 174.600 0.129 0.000 1.033 231 S CA 1.462 59.798 58.200 0.227 0.000 1.011 231 S CB -0.732 62.593 63.200 0.207 0.000 0.852 231 S HN 0.117 nan 8.310 nan 0.000 0.457 232 I N 0.512 121.069 120.570 -0.020 0.000 2.315 232 I HA 0.002 4.092 4.170 -0.133 0.000 0.248 232 I C 2.259 178.472 176.117 0.161 0.000 1.117 232 I CA 0.928 62.236 61.300 0.014 0.000 1.404 232 I CB -1.343 36.520 38.000 -0.229 0.000 1.071 232 I HN 0.289 nan 8.210 nan 0.000 0.419 233 F N 1.874 121.767 119.950 -0.095 0.000 2.075 233 F HA -0.195 4.252 4.527 -0.134 0.000 0.297 233 F C 2.504 178.372 175.800 0.114 0.000 1.113 233 F CA 1.558 59.429 58.000 -0.215 0.000 1.218 233 F CB -0.602 37.885 39.000 -0.856 0.000 0.984 233 F HN -0.187 nan 8.300 nan 0.000 0.472 234 V N -0.238 119.811 119.914 0.226 0.000 2.287 234 V HA -0.358 3.682 4.120 -0.133 0.000 0.248 234 V C 2.348 178.543 176.094 0.168 0.000 1.053 234 V CA 2.466 64.898 62.300 0.219 0.000 1.027 234 V CB -1.367 30.607 31.823 0.251 0.000 0.646 234 V HN 0.413 nan 8.190 nan 0.000 0.447 235 T N 0.410 115.052 114.554 0.146 0.000 2.737 235 T HA -0.231 4.039 4.350 -0.133 0.000 0.269 235 T C 2.015 176.704 174.700 -0.018 0.000 1.040 235 T CA 1.763 63.908 62.100 0.075 0.000 1.142 235 T CB -0.464 68.466 68.868 0.103 0.000 0.861 235 T HN 0.604 nan 8.240 nan 0.000 0.456 236 A N 0.103 122.944 122.820 0.035 0.000 1.930 236 A HA -0.065 4.175 4.320 -0.133 0.000 0.217 236 A C 2.050 179.502 177.584 -0.219 0.000 1.175 236 A CA 1.163 53.154 52.037 -0.077 0.000 0.627 236 A CB -1.018 17.949 19.000 -0.055 0.000 0.815 236 A HN 0.688 nan 8.150 nan 0.000 0.443 237 W N 0.253 121.472 121.300 -0.135 0.000 2.381 237 W HA -0.082 4.500 4.660 -0.130 0.000 0.301 237 W C 2.080 178.604 176.519 0.009 0.000 1.205 237 W CA 0.996 58.273 57.345 -0.115 0.000 1.285 237 W CB -0.340 29.004 29.460 -0.193 0.000 1.133 237 W HN 0.210 nan 8.180 nan 0.000 0.521 238 L N -0.236 121.165 121.223 0.296 0.000 2.042 238 L HA -0.261 3.999 4.340 -0.133 0.000 0.210 238 L C 2.155 179.205 176.870 0.300 0.000 1.076 238 L CA 1.317 56.390 54.840 0.389 0.000 0.749 238 L CB -1.121 41.094 42.059 0.259 0.000 0.893 238 L HN 0.050 nan 8.230 nan 0.000 0.432 239 I N -0.026 120.599 120.570 0.092 0.000 2.163 239 I HA -0.320 3.770 4.170 -0.133 0.000 0.243 239 I C 2.528 178.708 176.117 0.104 0.000 1.085 239 I CA 1.434 62.755 61.300 0.034 0.000 1.347 239 I CB -0.266 37.640 38.000 -0.156 0.000 1.044 239 I HN 0.247 nan 8.210 nan 0.000 0.408 240 L N -0.173 121.098 121.223 0.079 0.000 2.131 240 L HA -0.217 4.043 4.340 -0.133 0.000 0.210 240 L C 2.500 179.456 176.870 0.144 0.000 1.092 240 L CA 0.879 55.770 54.840 0.085 0.000 0.759 240 L CB -0.419 41.665 42.059 0.041 0.000 0.903 240 L HN 0.325 nan 8.230 nan 0.000 0.435 241 L N -0.336 121.003 121.223 0.194 0.000 2.162 241 L HA 0.051 4.311 4.340 -0.133 0.000 0.205 241 L C 2.467 179.562 176.870 0.374 0.000 1.086 241 L CA 1.842 56.791 54.840 0.182 0.000 0.778 241 L CB -0.582 41.401 42.059 -0.125 0.000 0.928 241 L HN 0.067 nan 8.230 nan 0.000 0.446 242 A N -0.940 122.170 122.820 0.483 0.000 1.903 242 A HA 0.018 4.258 4.320 -0.133 0.000 0.213 242 A C 2.042 179.878 177.584 0.420 0.000 1.185 242 A CA 1.007 53.353 52.037 0.516 0.000 0.628 242 A CB -0.590 18.638 19.000 0.380 0.000 0.830 242 A HN 0.342 nan 8.150 nan 0.000 0.446 243 L N -0.191 121.207 121.223 0.292 0.000 2.093 243 L HA -0.060 4.200 4.340 -0.133 0.000 0.208 243 L C -0.513 176.402 176.870 0.074 0.000 1.085 243 L CA 1.956 56.888 54.840 0.153 0.000 0.755 243 L CB -2.260 39.866 42.059 0.112 0.000 0.904 243 L HN 0.204 nan 8.230 nan 0.000 0.435 244 P HA -0.098 nan 4.420 nan 0.000 0.216 244 P C 2.154 179.483 177.300 0.049 0.000 1.150 244 P CA 0.887 64.028 63.100 0.069 0.000 0.837 244 P CB 0.132 31.875 31.700 0.072 0.000 0.786 245 V N -0.307 119.663 119.914 0.094 0.000 2.332 245 V HA -0.230 3.810 4.120 -0.133 0.000 0.248 245 V C 2.377 178.462 176.094 -0.015 0.000 1.055 245 V CA 1.664 64.000 62.300 0.060 0.000 1.038 245 V CB -1.274 30.674 31.823 0.209 0.000 0.651 245 V HN 0.070 nan 8.190 nan 0.000 0.450 246 L N 1.048 122.238 121.223 -0.055 0.000 2.046 246 L HA -0.100 4.160 4.340 -0.133 0.000 0.208 246 L C 2.461 179.196 176.870 -0.225 0.000 1.077 246 L CA 2.372 57.042 54.840 -0.284 0.000 0.747 246 L CB -1.008 40.599 42.059 -0.753 0.000 0.896 246 L HN 0.219 nan 8.230 nan 0.000 0.432 247 A N -0.490 122.258 122.820 -0.119 0.000 1.940 247 A HA -0.110 4.130 4.320 -0.133 0.000 0.219 247 A C 2.336 179.954 177.584 0.057 0.000 1.176 247 A CA 1.689 53.728 52.037 0.004 0.000 0.631 247 A CB -1.604 17.465 19.000 0.116 0.000 0.814 247 A HN 0.554 nan 8.150 nan 0.000 0.446 248 G N -0.544 108.257 108.800 0.001 0.000 2.433 248 G HA2 -0.002 3.878 3.960 -0.133 0.000 0.216 248 G HA3 -0.002 3.878 3.960 -0.133 0.000 0.216 248 G C 1.815 176.705 174.900 -0.017 0.000 1.186 248 G CA 1.575 46.664 45.100 -0.018 0.000 0.779 248 G HN 0.834 nan 8.290 nan 0.000 0.543 249 A N 1.312 124.102 122.820 -0.050 0.000 1.892 249 A HA -0.108 4.132 4.320 -0.133 0.000 0.218 249 A C 2.457 180.135 177.584 0.156 0.000 1.188 249 A CA 1.940 53.978 52.037 0.002 0.000 0.631 249 A CB -0.528 18.316 19.000 -0.260 0.000 0.822 249 A HN 0.826 nan 8.150 nan 0.000 0.447 250 I N -3.711 116.871 120.570 0.020 0.000 2.761 250 I HA -0.047 4.043 4.170 -0.133 0.000 0.261 250 I C 1.871 178.029 176.117 0.068 0.000 1.198 250 I CA 1.757 63.056 61.300 -0.001 0.000 1.482 250 I CB -0.762 37.097 38.000 -0.234 0.000 1.100 250 I HN 0.097 nan 8.210 nan 0.000 0.445 251 T N 1.622 116.260 114.554 0.140 0.000 2.857 251 T HA 0.007 4.277 4.350 -0.133 0.000 0.266 251 T C 1.893 176.718 174.700 0.208 0.000 1.048 251 T CA 1.716 63.959 62.100 0.238 0.000 1.139 251 T CB -0.223 68.784 68.868 0.231 0.000 0.874 251 T HN 0.330 nan 8.240 nan 0.000 0.455 252 M N 0.597 120.294 119.600 0.162 0.000 2.213 252 M HA 0.016 4.416 4.480 -0.133 0.000 0.263 252 M C 2.040 178.555 176.300 0.359 0.000 1.062 252 M CA 1.404 56.806 55.300 0.169 0.000 1.105 252 M CB -0.584 31.954 32.600 -0.104 0.000 1.385 252 M HN 0.189 nan 8.290 nan 0.000 0.417 253 L N -0.572 120.876 121.223 0.375 0.000 2.093 253 L HA -0.184 4.076 4.340 -0.133 0.000 0.208 253 L C 2.438 179.394 176.870 0.143 0.000 1.085 253 L CA 0.659 55.651 54.840 0.253 0.000 0.755 253 L CB -0.587 41.516 42.059 0.074 0.000 0.904 253 L HN 0.285 nan 8.230 nan 0.000 0.435 254 L N -0.137 121.169 121.223 0.137 0.000 2.093 254 L HA -0.165 4.095 4.340 -0.133 0.000 0.208 254 L C 2.712 179.680 176.870 0.164 0.000 1.085 254 L CA 2.230 57.130 54.840 0.099 0.000 0.755 254 L CB -0.498 41.649 42.059 0.146 0.000 0.904 254 L HN 0.410 nan 8.230 nan 0.000 0.435 255 T N -5.245 109.486 114.554 0.295 0.000 2.942 255 T HA -0.090 4.180 4.350 -0.133 0.000 0.265 255 T C 1.628 176.439 174.700 0.186 0.000 1.062 255 T CA 0.928 63.260 62.100 0.386 0.000 1.139 255 T CB -0.487 68.633 68.868 0.420 0.000 0.883 255 T HN 0.191 nan 8.240 nan 0.000 0.468 256 D N 1.451 121.946 120.400 0.158 0.000 2.149 256 D HA -0.012 4.548 4.640 -0.133 0.000 0.198 256 D C 2.450 178.763 176.300 0.022 0.000 0.990 256 D CA 0.966 55.011 54.000 0.075 0.000 0.839 256 D CB -0.164 40.715 40.800 0.131 0.000 0.948 256 D HN 0.431 nan 8.370 nan 0.000 0.460 257 R N -0.329 120.173 120.500 0.003 0.000 2.093 257 R HA 0.114 4.374 4.340 -0.133 0.000 0.224 257 R C 1.251 177.466 176.300 -0.142 0.000 1.101 257 R CA 0.835 56.901 56.100 -0.057 0.000 0.979 257 R CB 0.148 30.408 30.300 -0.066 0.000 0.877 257 R HN 0.193 nan 8.270 nan 0.000 0.441 258 N N -1.267 117.273 118.700 -0.267 0.000 2.297 258 N HA 0.063 4.723 4.740 -0.133 0.000 0.208 258 N C -0.067 175.038 175.510 -0.674 0.000 1.176 258 N CA 0.456 53.160 53.050 -0.576 0.000 0.882 258 N CB 0.792 38.698 38.487 -0.969 0.000 1.134 258 N HN 0.057 nan 8.380 nan 0.000 0.489 259 F N 0.310 120.271 119.950 0.018 0.000 2.814 259 F HA 0.408 4.853 4.527 -0.136 0.000 0.326 259 F C 1.379 177.165 175.800 -0.023 0.000 1.159 259 F CA -0.548 57.456 58.000 0.007 0.000 1.234 259 F CB 0.488 39.503 39.000 0.025 0.000 1.016 259 F HN -0.021 nan 8.300 nan 0.000 0.510 260 G N 1.035 109.873 108.800 0.063 0.000 2.166 260 G HA2 -0.325 3.555 3.960 -0.133 0.000 0.260 260 G HA3 -0.325 3.555 3.960 -0.133 0.000 0.260 260 G C 0.474 175.342 174.900 -0.053 0.000 0.986 260 G CA 0.586 45.689 45.100 0.005 0.000 0.683 260 G HN 0.540 nan 8.290 nan 0.000 0.527 261 T N -2.056 112.452 114.554 -0.076 0.000 2.828 261 T HA 0.572 4.842 4.350 -0.133 0.000 0.290 261 T C 0.894 175.433 174.700 -0.268 0.000 1.019 261 T CA 0.804 62.737 62.100 -0.278 0.000 1.031 261 T CB 1.733 70.332 68.868 -0.447 0.000 1.001 261 T HN 1.210 nan 8.240 nan 0.000 0.531 262 T N -1.124 113.188 114.554 -0.404 0.000 3.633 262 T HA 0.310 4.580 4.350 -0.133 0.000 0.278 262 T C 0.527 175.064 174.700 -0.271 0.000 0.991 262 T CA -0.679 61.278 62.100 -0.238 0.000 1.036 262 T CB -0.819 67.962 68.868 -0.145 0.000 1.148 262 T HN 0.410 nan 8.240 nan 0.000 0.501 263 F N 1.022 120.780 119.950 -0.319 0.000 2.161 263 F HA 0.153 4.599 4.527 -0.134 0.000 0.300 263 F C 1.130 176.632 175.800 -0.496 0.000 1.089 263 F CA 0.976 58.638 58.000 -0.563 0.000 1.282 263 F CB -0.409 37.932 39.000 -1.097 0.000 1.010 263 F HN 0.398 nan 8.300 nan 0.000 0.485 264 F N -1.033 119.038 119.950 0.201 0.000 2.698 264 F HA 0.286 4.732 4.527 -0.134 0.000 0.304 264 F C 0.018 175.853 175.800 0.059 0.000 1.108 264 F CA -0.681 57.389 58.000 0.117 0.000 1.263 264 F CB -0.418 38.630 39.000 0.081 0.000 1.013 264 F HN -0.226 nan 8.300 nan 0.000 0.532 265 Q N 1.161 121.044 119.800 0.138 0.000 2.368 265 Q HA 0.317 4.577 4.340 -0.133 0.000 0.263 265 Q C -2.188 173.846 176.000 0.056 0.000 1.009 265 Q CA -2.043 53.809 55.803 0.083 0.000 0.818 265 Q CB 1.681 30.443 28.738 0.039 0.000 1.239 265 Q HN 0.049 nan 8.270 nan 0.000 0.464 266 P HA -0.203 nan 4.420 nan 0.000 0.219 266 P C 1.441 178.759 177.300 0.031 0.000 1.146 266 P CA 1.527 64.659 63.100 0.052 0.000 0.808 266 P CB 0.311 32.045 31.700 0.056 0.000 0.779 267 S N -1.076 114.638 115.700 0.023 0.000 2.419 267 S HA -0.058 4.332 4.470 -0.133 0.000 0.233 267 S C 1.990 176.590 174.600 -0.000 0.000 1.016 267 S CA 1.336 59.543 58.200 0.012 0.000 0.974 267 S CB -1.638 61.567 63.200 0.009 0.000 0.786 267 S HN 0.225 nan 8.310 nan 0.000 0.492 268 G N -0.428 108.367 108.800 -0.009 0.000 3.284 268 G HA2 0.470 4.350 3.960 -0.133 0.000 0.236 268 G HA3 0.470 4.350 3.960 -0.133 0.000 0.236 268 G C 0.936 175.820 174.900 -0.026 0.000 1.158 268 G CA -0.068 45.014 45.100 -0.030 0.000 0.774 268 G HN 1.362 nan 8.290 nan 0.000 0.545 269 G N -1.019 107.780 108.800 -0.000 0.000 2.143 269 G HA2 -0.032 3.848 3.960 -0.133 0.000 0.249 269 G HA3 -0.032 3.848 3.960 -0.133 0.000 0.249 269 G C 0.775 175.693 174.900 0.029 0.000 0.981 269 G CA 0.268 45.375 45.100 0.013 0.000 0.665 269 G HN 0.999 nan 8.290 nan 0.000 0.528 270 G N -0.971 107.850 108.800 0.035 0.000 2.588 270 G HA2 0.517 4.397 3.960 -0.133 0.000 0.281 270 G HA3 0.517 4.397 3.960 -0.133 0.000 0.281 270 G C -0.780 174.199 174.900 0.131 0.000 1.236 270 G CA 0.434 45.581 45.100 0.078 0.000 0.969 270 G HN 0.419 nan 8.290 nan 0.000 0.504 271 D N -1.101 119.426 120.400 0.211 0.000 2.602 271 D HA 0.373 4.933 4.640 -0.133 0.000 0.245 271 D C -1.906 174.575 176.300 0.302 0.000 1.325 271 D CA -1.776 52.353 54.000 0.214 0.000 0.952 271 D CB 2.237 43.151 40.800 0.190 0.000 1.317 271 D HN -0.049 nan 8.370 nan 0.000 0.577 272 P HA -0.107 nan 4.420 nan 0.000 0.218 272 P C 1.445 178.754 177.300 0.016 0.000 1.148 272 P CA 0.478 63.642 63.100 0.106 0.000 0.822 272 P CB 0.450 32.173 31.700 0.038 0.000 0.784 273 V N -0.591 119.359 119.914 0.061 0.000 2.759 273 V HA -0.175 3.864 4.120 -0.133 0.000 0.256 273 V C 2.298 178.452 176.094 0.099 0.000 1.080 273 V CA 1.063 63.376 62.300 0.022 0.000 1.101 273 V CB -1.140 30.719 31.823 0.061 0.000 0.698 273 V HN 0.071 nan 8.190 nan 0.000 0.477 274 L N 0.048 121.404 121.223 0.222 0.000 2.012 274 L HA -0.214 4.046 4.340 -0.133 0.000 0.210 274 L C 2.303 179.275 176.870 0.170 0.000 1.073 274 L CA 2.253 57.270 54.840 0.295 0.000 0.748 274 L CB -0.983 41.306 42.059 0.384 0.000 0.891 274 L HN 0.475 nan 8.230 nan 0.000 0.431 275 Y N 0.250 120.439 120.300 -0.185 0.000 2.151 275 Y HA -0.332 4.137 4.550 -0.134 0.000 0.284 275 Y C 2.554 178.217 175.900 -0.395 0.000 1.166 275 Y CA 2.306 60.030 58.100 -0.627 0.000 1.163 275 Y CB -0.305 37.322 38.460 -1.387 0.000 0.974 275 Y HN 0.407 nan 8.280 nan 0.000 0.511 276 Q N -1.118 118.484 119.800 -0.330 0.000 2.124 276 Q HA -0.235 4.025 4.340 -0.133 0.000 0.202 276 Q C 2.098 178.013 176.000 -0.143 0.000 0.977 276 Q CA 1.526 57.136 55.803 -0.321 0.000 0.850 276 Q CB -0.319 28.266 28.738 -0.256 0.000 0.901 276 Q HN 0.637 nan 8.270 nan 0.000 0.429 277 H N 0.256 119.329 119.070 0.005 0.000 2.353 277 H HA -0.080 4.396 4.556 -0.134 0.000 0.300 277 H C 2.141 177.358 175.328 -0.186 0.000 1.090 277 H CA 1.306 57.402 56.048 0.081 0.000 1.327 277 H CB -0.028 29.824 29.762 0.150 0.000 1.383 277 H HN 0.270 nan 8.280 nan 0.000 0.508 278 I N 0.490 120.979 120.570 -0.135 0.000 2.252 278 I HA -0.218 3.872 4.170 -0.133 0.000 0.245 278 I C 2.752 178.702 176.117 -0.280 0.000 1.102 278 I CA 0.495 61.655 61.300 -0.233 0.000 1.385 278 I CB -0.175 37.688 38.000 -0.229 0.000 1.064 278 I HN 0.169 nan 8.210 nan 0.000 0.414 279 L N 0.603 121.482 121.223 -0.574 0.000 2.017 279 L HA -0.199 4.061 4.340 -0.133 0.000 0.208 279 L C 2.184 178.808 176.870 -0.409 0.000 1.073 279 L CA 2.364 56.802 54.840 -0.670 0.000 0.745 279 L CB -0.923 40.415 42.059 -1.202 0.000 0.894 279 L HN 0.331 nan 8.230 nan 0.000 0.432 280 W N -1.225 119.993 121.300 -0.138 0.000 2.519 280 W HA -0.188 4.393 4.660 -0.132 0.000 0.266 280 W C 2.350 178.862 176.519 -0.011 0.000 1.253 280 W CA 0.178 57.487 57.345 -0.060 0.000 1.274 280 W CB -0.427 29.072 29.460 0.065 0.000 1.114 280 W HN 0.120 nan 8.180 nan 0.000 0.596 281 F N 0.068 119.936 119.950 -0.136 0.000 2.171 281 F HA -0.225 4.221 4.527 -0.134 0.000 0.300 281 F C 2.243 178.052 175.800 0.014 0.000 1.090 281 F CA 1.738 59.595 58.000 -0.240 0.000 1.293 281 F CB -0.596 38.101 39.000 -0.504 0.000 1.013 281 F HN -0.028 nan 8.300 nan 0.000 0.486 282 F N 0.195 120.170 119.950 0.042 0.000 2.187 282 F HA 0.126 4.574 4.527 -0.132 0.000 0.295 282 F C 2.211 177.974 175.800 -0.063 0.000 1.091 282 F CA 1.567 59.557 58.000 -0.016 0.000 1.308 282 F CB -1.051 37.929 39.000 -0.033 0.000 1.030 282 F HN -0.099 nan 8.300 nan 0.000 0.487 283 G N -0.981 107.542 108.800 -0.463 0.000 2.408 283 G HA2 -0.275 3.605 3.960 -0.133 0.000 0.217 283 G HA3 -0.275 3.605 3.960 -0.133 0.000 0.217 283 G C 1.369 176.140 174.900 -0.214 0.000 1.150 283 G CA 1.038 45.798 45.100 -0.566 0.000 0.776 283 G HN 0.555 nan 8.290 nan 0.000 0.542 284 H N 1.644 120.728 119.070 0.023 0.000 2.276 284 H HA -0.013 4.463 4.556 -0.133 0.000 0.301 284 H C 0.191 175.461 175.328 -0.097 0.000 1.073 284 H CA 1.804 57.900 56.048 0.080 0.000 1.311 284 H CB -0.502 29.390 29.762 0.216 0.000 1.379 284 H HN 0.228 nan 8.280 nan 0.000 0.494 285 P HA -0.237 nan 4.420 nan 0.000 0.218 285 P C 1.224 178.338 177.300 -0.309 0.000 1.154 285 P CA 2.228 65.134 63.100 -0.325 0.000 0.872 285 P CB -0.093 31.137 31.700 -0.784 0.000 0.790 286 E N 0.114 119.979 120.200 -0.558 0.000 2.136 286 E HA -0.228 4.042 4.350 -0.133 0.000 0.202 286 E C 1.673 178.001 176.600 -0.454 0.000 1.019 286 E CA 2.223 58.270 56.400 -0.589 0.000 0.819 286 E CB -1.224 27.890 29.700 -0.978 0.000 0.739 286 E HN 0.196 nan 8.360 nan 0.000 0.458 287 V N -1.550 118.048 119.914 -0.527 0.000 2.591 287 V HA -0.117 3.923 4.120 -0.133 0.000 0.249 287 V C 1.886 177.631 176.094 -0.581 0.000 1.053 287 V CA 1.533 63.477 62.300 -0.593 0.000 1.068 287 V CB -1.012 30.385 31.823 -0.710 0.000 0.689 287 V HN 0.269 nan 8.190 nan 0.000 0.462 288 Y N 0.573 120.739 120.300 -0.223 0.000 2.337 288 Y HA 0.187 4.657 4.550 -0.134 0.000 0.293 288 Y C 2.364 178.176 175.900 -0.147 0.000 1.123 288 Y CA 1.403 59.432 58.100 -0.119 0.000 1.201 288 Y CB -0.524 37.935 38.460 -0.003 0.000 1.011 288 Y HN 0.180 nan 8.280 nan 0.000 0.545 289 I N -0.383 120.142 120.570 -0.075 0.000 2.264 289 I HA -0.321 3.769 4.170 -0.133 0.000 0.248 289 I C 2.017 178.035 176.117 -0.164 0.000 1.111 289 I CA 1.484 62.705 61.300 -0.132 0.000 1.382 289 I CB -0.372 37.514 38.000 -0.190 0.000 1.060 289 I HN 0.204 nan 8.210 nan 0.000 0.418 290 I N -0.478 119.959 120.570 -0.220 0.000 2.202 290 I HA -0.235 3.855 4.170 -0.133 0.000 0.242 290 I C 2.451 178.459 176.117 -0.182 0.000 1.091 290 I CA 1.170 62.343 61.300 -0.211 0.000 1.368 290 I CB -0.207 37.627 38.000 -0.277 0.000 1.058 290 I HN 0.039 nan 8.210 nan 0.000 0.410 291 V N 0.766 120.529 119.914 -0.252 0.000 3.052 291 V HA -0.059 3.981 4.120 -0.133 0.000 0.254 291 V C 2.149 177.895 176.094 -0.580 0.000 1.100 291 V CA 0.894 62.966 62.300 -0.380 0.000 1.112 291 V CB 0.150 31.715 31.823 -0.430 0.000 0.738 291 V HN 0.278 nan 8.190 nan 0.000 0.469 292 L N 0.533 121.551 121.223 -0.340 0.000 2.017 292 L HA -0.095 4.165 4.340 -0.133 0.000 0.208 292 L C -0.033 176.853 176.870 0.027 0.000 1.073 292 L CA 1.899 56.640 54.840 -0.165 0.000 0.745 292 L CB -1.805 40.289 42.059 0.059 0.000 0.894 292 L HN 0.343 nan 8.230 nan 0.000 0.432 293 P HA -0.167 nan 4.420 nan 0.000 0.218 293 P C 1.372 178.838 177.300 0.278 0.000 1.148 293 P CA 1.666 64.901 63.100 0.224 0.000 0.822 293 P CB -0.019 31.852 31.700 0.284 0.000 0.784 294 A N -1.147 121.720 122.820 0.078 0.000 1.933 294 A HA -0.189 4.051 4.320 -0.133 0.000 0.218 294 A C 1.894 179.436 177.584 -0.071 0.000 1.175 294 A CA 1.310 53.327 52.037 -0.034 0.000 0.628 294 A CB -1.681 17.271 19.000 -0.081 0.000 0.814 294 A HN 0.022 nan 8.150 nan 0.000 0.444 295 F N 0.519 120.442 119.950 -0.045 0.000 2.095 295 F HA -0.106 4.341 4.527 -0.132 0.000 0.298 295 F C 2.679 178.623 175.800 0.239 0.000 1.104 295 F CA 0.588 58.656 58.000 0.112 0.000 1.232 295 F CB -1.544 37.653 39.000 0.328 0.000 0.987 295 F HN 0.269 nan 8.300 nan 0.000 0.475 296 G N 0.254 109.347 108.800 0.488 0.000 2.446 296 G HA2 -0.232 3.648 3.960 -0.133 0.000 0.217 296 G HA3 -0.232 3.648 3.960 -0.133 0.000 0.217 296 G C 1.909 177.061 174.900 0.419 0.000 1.168 296 G CA 1.029 46.456 45.100 0.545 0.000 0.771 296 G HN 0.365 nan 8.290 nan 0.000 0.551 297 I N 0.293 121.001 120.570 0.229 0.000 2.226 297 I HA -0.161 3.929 4.170 -0.133 0.000 0.245 297 I C 2.789 178.724 176.117 -0.303 0.000 1.100 297 I CA 0.480 61.666 61.300 -0.191 0.000 1.374 297 I CB -0.261 37.559 38.000 -0.301 0.000 1.057 297 I HN 0.028 nan 8.210 nan 0.000 0.413 298 V N 0.121 119.832 119.914 -0.338 0.000 2.332 298 V HA -0.298 3.741 4.120 -0.133 0.000 0.248 298 V C 2.543 178.445 176.094 -0.320 0.000 1.055 298 V CA 2.163 64.125 62.300 -0.564 0.000 1.038 298 V CB -0.561 30.571 31.823 -1.152 0.000 0.651 298 V HN 0.381 nan 8.190 nan 0.000 0.450 299 S N -1.563 114.202 115.700 0.107 0.000 2.356 299 S HA -0.209 4.181 4.470 -0.133 0.000 0.223 299 S C 1.828 176.546 174.600 0.197 0.000 1.032 299 S CA 1.409 59.846 58.200 0.394 0.000 1.005 299 S CB -0.436 63.108 63.200 0.574 0.000 0.867 299 S HN 0.697 nan 8.310 nan 0.000 0.449 300 H N -0.108 118.941 119.070 -0.035 0.000 2.353 300 H HA -0.030 4.446 4.556 -0.133 0.000 0.300 300 H C 2.204 177.265 175.328 -0.444 0.000 1.090 300 H CA 1.548 57.510 56.048 -0.143 0.000 1.327 300 H CB -0.131 29.564 29.762 -0.111 0.000 1.383 300 H HN 0.222 nan 8.280 nan 0.000 0.508 301 V N 1.275 120.848 119.914 -0.568 0.000 2.358 301 V HA -0.210 3.830 4.120 -0.133 0.000 0.246 301 V C 2.565 178.506 176.094 -0.256 0.000 1.047 301 V CA 1.323 63.198 62.300 -0.708 0.000 1.035 301 V CB -0.341 31.067 31.823 -0.692 0.000 0.658 301 V HN 0.336 nan 8.190 nan 0.000 0.452 302 I N 0.380 120.838 120.570 -0.187 0.000 2.315 302 I HA -0.201 3.889 4.170 -0.133 0.000 0.248 302 I C 2.666 178.768 176.117 -0.024 0.000 1.117 302 I CA 1.373 62.633 61.300 -0.067 0.000 1.404 302 I CB -0.569 37.409 38.000 -0.038 0.000 1.071 302 I HN 0.301 nan 8.210 nan 0.000 0.419 303 A N 0.564 123.369 122.820 -0.026 0.000 1.902 303 A HA -0.193 4.047 4.320 -0.133 0.000 0.217 303 A C 2.378 179.899 177.584 -0.104 0.000 1.181 303 A CA 2.382 54.408 52.037 -0.018 0.000 0.623 303 A CB -1.051 17.956 19.000 0.012 0.000 0.818 303 A HN 0.353 nan 8.150 nan 0.000 0.443 304 T N -0.575 113.853 114.554 -0.211 0.000 2.652 304 T HA -0.133 4.137 4.350 -0.133 0.000 0.267 304 T C 1.344 175.719 174.700 -0.542 0.000 1.039 304 T CA 1.871 63.718 62.100 -0.423 0.000 1.153 304 T CB -0.402 68.062 68.868 -0.674 0.000 0.863 304 T HN 0.439 nan 8.240 nan 0.000 0.428 305 F N 0.569 120.395 119.950 -0.206 0.000 2.754 305 F HA 0.449 4.895 4.527 -0.134 0.000 0.297 305 F C 2.256 177.965 175.800 -0.152 0.000 1.122 305 F CA -0.146 57.735 58.000 -0.198 0.000 1.400 305 F CB -0.264 38.578 39.000 -0.264 0.000 1.117 305 F HN 0.106 nan 8.300 nan 0.000 0.587 306 A N -0.131 122.677 122.820 -0.021 0.000 2.169 306 A HA 0.031 4.271 4.320 -0.133 0.000 0.212 306 A C 1.195 178.686 177.584 -0.155 0.000 1.153 306 A CA 0.153 52.159 52.037 -0.052 0.000 0.756 306 A CB -0.405 18.589 19.000 -0.010 0.000 0.813 306 A HN 0.276 nan 8.150 nan 0.000 0.471 307 K N -1.193 119.051 120.400 -0.261 0.000 3.150 307 K HA -0.183 4.057 4.320 -0.133 0.000 0.267 307 K C -0.388 175.700 176.600 -0.853 0.000 1.028 307 K CA 1.259 57.159 56.287 -0.646 0.000 0.753 307 K CB -1.486 30.716 32.500 -0.496 0.000 1.288 307 K HN 0.647 nan 8.250 nan 0.000 0.473 308 K N 0.242 120.422 120.400 -0.367 0.000 2.557 308 K HA 0.326 4.566 4.320 -0.133 0.000 0.257 308 K C -2.864 173.750 176.600 0.024 0.000 0.933 308 K CA -1.757 54.455 56.287 -0.125 0.000 0.820 308 K CB 2.072 34.544 32.500 -0.048 0.000 1.330 308 K HN -0.272 nan 8.250 nan 0.000 0.432 309 P HA 0.103 nan 4.420 nan 0.000 0.274 309 P C -0.326 177.042 177.300 0.113 0.000 1.237 309 P CA -0.548 62.607 63.100 0.091 0.000 0.793 309 P CB 0.472 32.215 31.700 0.072 0.000 0.977 310 I N 2.204 122.850 120.570 0.126 0.000 2.752 310 I HA -0.014 4.076 4.170 -0.133 0.000 0.289 310 I C 0.082 176.317 176.117 0.195 0.000 1.197 310 I CA -0.112 61.300 61.300 0.186 0.000 1.432 310 I CB -0.779 37.344 38.000 0.206 0.000 1.359 310 I HN 0.147 nan 8.210 nan 0.000 0.571 311 F N 8.000 128.000 119.950 0.084 0.000 2.495 311 F HA 0.428 4.874 4.527 -0.134 0.000 0.365 311 F C 1.260 177.078 175.800 0.029 0.000 1.090 311 F CA 0.309 58.344 58.000 0.058 0.000 1.235 311 F CB 0.261 39.294 39.000 0.054 0.000 1.119 311 F HN 0.762 nan 8.300 nan 0.000 0.562 312 G N 6.111 114.718 108.800 -0.322 0.000 2.359 312 G HA2 -0.399 3.481 3.960 -0.133 0.000 0.298 312 G HA3 -0.399 3.481 3.960 -0.133 0.000 0.298 312 G C 0.489 175.383 174.900 -0.010 0.000 1.030 312 G CA 0.609 45.620 45.100 -0.147 0.000 1.149 312 G HN 1.062 nan 8.290 nan 0.000 0.512 313 Y N 0.108 120.353 120.300 -0.092 0.000 2.069 313 Y HA -0.211 4.258 4.550 -0.134 0.000 0.278 313 Y C 2.474 178.294 175.900 -0.134 0.000 1.175 313 Y CA 2.595 60.655 58.100 -0.066 0.000 1.134 313 Y CB -0.203 38.235 38.460 -0.036 0.000 0.965 313 Y HN 0.394 nan 8.280 nan 0.000 0.498 314 L N 0.445 121.568 121.223 -0.166 0.000 2.027 314 L HA -0.043 4.217 4.340 -0.133 0.000 0.206 314 L C -0.679 175.945 176.870 -0.410 0.000 1.074 314 L CA 1.782 56.385 54.840 -0.394 0.000 0.745 314 L CB -1.785 40.212 42.059 -0.103 0.000 0.898 314 L HN 0.137 nan 8.230 nan 0.000 0.433 315 P HA -0.170 nan 4.420 nan 0.000 0.218 315 P C 1.934 179.142 177.300 -0.153 0.000 1.148 315 P CA 1.305 64.380 63.100 -0.043 0.000 0.822 315 P CB -0.081 31.624 31.700 0.009 0.000 0.784 316 M N -1.191 118.265 119.600 -0.240 0.000 2.117 316 M HA -0.104 4.296 4.480 -0.133 0.000 0.262 316 M C 2.032 178.139 176.300 -0.322 0.000 1.065 316 M CA 1.564 56.699 55.300 -0.276 0.000 1.114 316 M CB -1.644 30.812 32.600 -0.240 0.000 1.361 316 M HN -0.146 nan 8.290 nan 0.000 0.408 317 V N -0.813 118.761 119.914 -0.567 0.000 2.295 317 V HA -0.272 3.768 4.120 -0.133 0.000 0.246 317 V C 2.255 178.066 176.094 -0.471 0.000 1.049 317 V CA 1.648 63.510 62.300 -0.730 0.000 1.024 317 V CB -1.021 30.000 31.823 -1.338 0.000 0.648 317 V HN 0.254 nan 8.190 nan 0.000 0.447 318 Y N 0.652 120.769 120.300 -0.304 0.000 2.314 318 Y HA 0.013 4.482 4.550 -0.133 0.000 0.293 318 Y C 2.509 178.331 175.900 -0.131 0.000 1.129 318 Y CA 0.527 58.507 58.100 -0.200 0.000 1.201 318 Y CB -1.213 37.151 38.460 -0.159 0.000 0.999 318 Y HN 0.182 nan 8.280 nan 0.000 0.541 319 A N -0.178 122.650 122.820 0.013 0.000 1.902 319 A HA -0.204 4.036 4.320 -0.133 0.000 0.217 319 A C 2.320 179.917 177.584 0.021 0.000 1.181 319 A CA 1.778 53.808 52.037 -0.011 0.000 0.623 319 A CB -0.714 18.235 19.000 -0.085 0.000 0.818 319 A HN 0.402 nan 8.150 nan 0.000 0.443 320 M N -0.762 118.850 119.600 0.021 0.000 2.132 320 M HA -0.122 4.278 4.480 -0.133 0.000 0.263 320 M C 2.132 178.491 176.300 0.099 0.000 1.065 320 M CA 1.300 56.667 55.300 0.112 0.000 1.122 320 M CB -0.440 32.242 32.600 0.137 0.000 1.365 320 M HN 0.277 nan 8.290 nan 0.000 0.411 321 V N 0.462 120.409 119.914 0.055 0.000 2.295 321 V HA -0.258 3.782 4.120 -0.133 0.000 0.246 321 V C 2.633 178.758 176.094 0.052 0.000 1.049 321 V CA 2.061 64.400 62.300 0.064 0.000 1.024 321 V CB -1.263 30.599 31.823 0.066 0.000 0.648 321 V HN 0.512 nan 8.190 nan 0.000 0.447 322 A N -0.152 122.691 122.820 0.039 0.000 1.902 322 A HA -0.163 4.077 4.320 -0.133 0.000 0.217 322 A C 2.187 179.769 177.584 -0.004 0.000 1.181 322 A CA 1.875 53.920 52.037 0.013 0.000 0.623 322 A CB -0.549 18.454 19.000 0.004 0.000 0.818 322 A HN 0.501 nan 8.150 nan 0.000 0.443 323 I N -0.241 120.333 120.570 0.008 0.000 2.163 323 I HA -0.227 3.863 4.170 -0.133 0.000 0.243 323 I C 2.726 178.763 176.117 -0.133 0.000 1.085 323 I CA 1.200 62.467 61.300 -0.056 0.000 1.347 323 I CB -0.642 37.413 38.000 0.091 0.000 1.044 323 I HN 0.398 nan 8.210 nan 0.000 0.408 324 G N 0.354 109.160 108.800 0.010 0.000 2.446 324 G HA2 -0.202 3.678 3.960 -0.133 0.000 0.217 324 G HA3 -0.202 3.678 3.960 -0.133 0.000 0.217 324 G C 1.699 176.677 174.900 0.131 0.000 1.168 324 G CA 1.072 46.216 45.100 0.075 0.000 0.771 324 G HN 0.252 nan 8.290 nan 0.000 0.551 325 V N 0.819 120.794 119.914 0.102 0.000 2.283 325 V HA -0.066 3.974 4.120 -0.133 0.000 0.243 325 V C 2.907 179.069 176.094 0.114 0.000 1.039 325 V CA 1.399 63.780 62.300 0.135 0.000 1.016 325 V CB -0.459 31.397 31.823 0.054 0.000 0.650 325 V HN 0.333 nan 8.190 nan 0.000 0.449 326 L N 0.698 121.922 121.223 0.001 0.000 2.127 326 L HA -0.119 4.141 4.340 -0.133 0.000 0.211 326 L C 2.454 179.244 176.870 -0.133 0.000 1.089 326 L CA 1.562 56.371 54.840 -0.052 0.000 0.757 326 L CB -0.965 41.035 42.059 -0.097 0.000 0.899 326 L HN 0.494 nan 8.230 nan 0.000 0.434 327 G N -1.240 107.411 108.800 -0.248 0.000 2.625 327 G HA2 -0.210 3.670 3.960 -0.133 0.000 0.214 327 G HA3 -0.210 3.670 3.960 -0.133 0.000 0.214 327 G C 1.085 175.807 174.900 -0.296 0.000 1.132 327 G CA 0.104 44.980 45.100 -0.373 0.000 0.782 327 G HN 0.289 nan 8.290 nan 0.000 0.538 328 F N -0.238 119.678 119.950 -0.056 0.000 2.727 328 F HA 0.198 4.645 4.527 -0.134 0.000 0.302 328 F C 1.670 177.571 175.800 0.167 0.000 1.097 328 F CA 0.049 58.003 58.000 -0.076 0.000 1.330 328 F CB 1.094 40.037 39.000 -0.096 0.000 1.084 328 F HN 0.082 nan 8.300 nan 0.000 0.578 329 V N -2.281 117.820 119.914 0.313 0.000 3.078 329 V HA 0.275 4.315 4.120 -0.133 0.000 0.344 329 V C 0.421 176.626 176.094 0.185 0.000 1.409 329 V CA 0.353 62.880 62.300 0.380 0.000 1.146 329 V CB -0.188 31.798 31.823 0.271 0.000 1.126 329 V HN 0.010 nan 8.190 nan 0.000 0.513 330 V N -3.828 116.166 119.914 0.134 0.000 3.398 330 V HA 0.281 4.321 4.120 -0.133 0.000 0.298 330 V C 1.741 177.646 176.094 -0.315 0.000 1.496 330 V CA 0.390 62.665 62.300 -0.041 0.000 1.044 330 V CB -0.525 31.163 31.823 -0.225 0.000 0.880 330 V HN 0.728 nan 8.190 nan 0.000 0.443 331 W N 2.323 123.560 121.300 -0.105 0.000 2.331 331 W HA -0.024 4.556 4.660 -0.132 0.000 0.291 331 W C 1.808 178.018 176.519 -0.515 0.000 1.214 331 W CA 1.903 59.125 57.345 -0.206 0.000 1.228 331 W CB -0.992 28.530 29.460 0.103 0.000 1.135 331 W HN 0.251 nan 8.180 nan 0.000 0.537 332 A N 1.705 123.641 122.820 -1.474 0.000 2.235 332 A HA -0.090 4.150 4.320 -0.133 0.000 0.208 332 A C 1.789 178.719 177.584 -1.090 0.000 1.172 332 A CA 0.954 52.191 52.037 -1.334 0.000 0.786 332 A CB -1.823 16.004 19.000 -1.955 0.000 0.804 332 A HN 0.790 nan 8.150 nan 0.000 0.479 333 H N -2.518 115.977 119.070 -0.957 0.000 2.561 333 H HA -0.043 4.433 4.556 -0.134 0.000 0.278 333 H C 0.675 175.251 175.328 -1.254 0.000 1.014 333 H CA 1.013 56.255 56.048 -1.343 0.000 1.211 333 H CB -0.348 28.948 29.762 -0.776 0.000 1.365 333 H HN 0.666 nan 8.280 nan 0.000 0.594 334 H N 0.420 119.062 119.070 -0.713 0.000 2.533 334 H HA 0.201 4.677 4.556 -0.133 0.000 0.271 334 H C 0.614 175.572 175.328 -0.616 0.000 1.000 334 H CA 0.331 55.891 56.048 -0.814 0.000 1.149 334 H CB 0.436 29.086 29.762 -1.853 0.000 1.375 334 H HN 0.514 nan 8.280 nan 0.000 0.582 335 M N -0.842 118.453 119.600 -0.508 0.000 2.621 335 M HA 0.076 4.476 4.480 -0.133 0.000 0.421 335 M C 0.294 176.471 176.300 -0.206 0.000 1.180 335 M CA -0.159 54.958 55.300 -0.306 0.000 0.875 335 M CB 0.638 33.073 32.600 -0.275 0.000 1.572 335 M HN -0.049 nan 8.290 nan 0.000 0.541 336 Y N 1.066 121.221 120.300 -0.240 0.000 2.315 336 Y HA -0.127 4.343 4.550 -0.133 0.000 0.288 336 Y C 2.734 178.545 175.900 -0.148 0.000 1.154 336 Y CA 1.779 59.778 58.100 -0.168 0.000 1.229 336 Y CB -0.860 37.516 38.460 -0.141 0.000 0.980 336 Y HN 0.376 nan 8.280 nan 0.000 0.540 337 T N -4.300 110.209 114.554 -0.076 0.000 3.092 337 T HA 0.500 4.770 4.350 -0.133 0.000 0.258 337 T C 1.408 176.096 174.700 -0.020 0.000 1.031 337 T CA 0.288 62.357 62.100 -0.052 0.000 0.925 337 T CB -0.042 68.781 68.868 -0.074 0.000 1.036 337 T HN 0.152 nan 8.240 nan 0.000 0.544 338 A N 0.739 123.542 122.820 -0.028 0.000 2.307 338 A HA 0.692 4.932 4.320 -0.133 0.000 0.218 338 A C 1.696 179.299 177.584 0.031 0.000 1.228 338 A CA 0.123 52.165 52.037 0.008 0.000 0.857 338 A CB -0.764 18.226 19.000 -0.017 0.000 0.897 338 A HN 1.372 nan 8.150 nan 0.000 0.495 339 G N -0.713 108.112 108.800 0.042 0.000 2.145 339 G HA2 -0.135 3.745 3.960 -0.133 0.000 0.176 339 G HA3 -0.135 3.745 3.960 -0.133 0.000 0.176 339 G C -0.142 174.807 174.900 0.081 0.000 1.013 339 G CA -0.155 44.981 45.100 0.060 0.000 0.689 339 G HN 0.338 nan 8.290 nan 0.000 0.506 340 L N 1.922 123.196 121.223 0.085 0.000 2.371 340 L HA 0.495 4.755 4.340 -0.133 0.000 0.272 340 L C 1.662 178.596 176.870 0.107 0.000 1.124 340 L CA -0.047 54.865 54.840 0.121 0.000 0.816 340 L CB 1.174 43.316 42.059 0.137 0.000 1.129 340 L HN 0.520 nan 8.230 nan 0.000 0.448 341 S N 2.095 117.863 115.700 0.114 0.000 2.580 341 S HA -0.017 4.373 4.470 -0.133 0.000 0.266 341 S C 0.932 175.583 174.600 0.085 0.000 1.354 341 S CA -0.580 57.673 58.200 0.089 0.000 1.008 341 S CB 0.708 63.960 63.200 0.086 0.000 0.898 341 S HN 0.560 nan 8.310 nan 0.000 0.555 342 L N 1.639 122.896 121.223 0.056 0.000 2.131 342 L HA -0.010 4.250 4.340 -0.133 0.000 0.210 342 L C 2.487 179.390 176.870 0.055 0.000 1.092 342 L CA 2.190 57.054 54.840 0.039 0.000 0.759 342 L CB -1.845 40.226 42.059 0.019 0.000 0.903 342 L HN 0.991 nan 8.230 nan 0.000 0.435 343 T N -0.921 113.673 114.554 0.067 0.000 2.737 343 T HA -0.180 4.090 4.350 -0.133 0.000 0.265 343 T C 1.791 176.569 174.700 0.130 0.000 1.038 343 T CA 1.539 63.683 62.100 0.073 0.000 1.144 343 T CB -0.100 68.799 68.868 0.051 0.000 0.866 343 T HN 0.443 nan 8.240 nan 0.000 0.434 344 Q N 0.822 120.727 119.800 0.175 0.000 2.096 344 Q HA -0.166 4.094 4.340 -0.133 0.000 0.204 344 Q C 2.576 178.825 176.000 0.416 0.000 0.982 344 Q CA 1.411 57.406 55.803 0.319 0.000 0.850 344 Q CB -0.205 28.732 28.738 0.333 0.000 0.901 344 Q HN 0.601 nan 8.270 nan 0.000 0.422 345 Q N -0.152 119.808 119.800 0.268 0.000 2.084 345 Q HA -0.132 4.128 4.340 -0.133 0.000 0.202 345 Q C 2.294 178.375 176.000 0.135 0.000 0.978 345 Q CA 1.512 57.452 55.803 0.228 0.000 0.844 345 Q CB 0.014 28.780 28.738 0.047 0.000 0.898 345 Q HN 0.255 nan 8.270 nan 0.000 0.426 346 S N 0.244 115.992 115.700 0.079 0.000 2.368 346 S HA -0.179 4.211 4.470 -0.133 0.000 0.225 346 S C 1.628 176.248 174.600 0.034 0.000 1.030 346 S CA 1.228 59.444 58.200 0.026 0.000 0.999 346 S CB -0.444 62.769 63.200 0.022 0.000 0.844 346 S HN 0.444 nan 8.310 nan 0.000 0.459 347 Y N 1.797 122.081 120.300 -0.026 0.000 2.070 347 Y HA -0.177 4.292 4.550 -0.134 0.000 0.280 347 Y C 1.817 177.621 175.900 -0.161 0.000 1.148 347 Y CA 1.324 59.335 58.100 -0.147 0.000 1.125 347 Y CB -0.866 37.418 38.460 -0.294 0.000 0.975 347 Y HN 0.182 nan 8.280 nan 0.000 0.492 348 F N 0.140 119.863 119.950 -0.378 0.000 2.216 348 F HA -0.263 4.184 4.527 -0.133 0.000 0.300 348 F C 2.762 178.422 175.800 -0.233 0.000 1.085 348 F CA 1.879 59.602 58.000 -0.462 0.000 1.326 348 F CB -0.650 38.227 39.000 -0.205 0.000 1.027 348 F HN 0.215 nan 8.300 nan 0.000 0.497 349 M N -0.472 119.192 119.600 0.107 0.000 2.086 349 M HA -0.263 4.137 4.480 -0.133 0.000 0.261 349 M C 2.140 178.398 176.300 -0.069 0.000 1.067 349 M CA 1.871 57.213 55.300 0.070 0.000 1.116 349 M CB -0.181 32.403 32.600 -0.027 0.000 1.348 349 M HN 0.168 nan 8.290 nan 0.000 0.407 350 M N -0.040 119.468 119.600 -0.153 0.000 2.099 350 M HA -0.112 4.288 4.480 -0.133 0.000 0.262 350 M C 2.403 178.582 176.300 -0.202 0.000 1.067 350 M CA 1.694 56.903 55.300 -0.151 0.000 1.124 350 M CB -0.613 31.919 32.600 -0.114 0.000 1.353 350 M HN 0.528 nan 8.290 nan 0.000 0.410 351 A N -0.039 122.538 122.820 -0.405 0.000 1.908 351 A HA -0.170 4.070 4.320 -0.133 0.000 0.218 351 A C 2.181 179.649 177.584 -0.194 0.000 1.181 351 A CA 2.345 54.157 52.037 -0.376 0.000 0.627 351 A CB -1.204 17.348 19.000 -0.747 0.000 0.818 351 A HN 0.474 nan 8.150 nan 0.000 0.445 352 T N 0.007 114.481 114.554 -0.133 0.000 2.777 352 T HA -0.133 4.137 4.350 -0.133 0.000 0.266 352 T C 1.918 176.600 174.700 -0.028 0.000 1.040 352 T CA 1.719 63.809 62.100 -0.017 0.000 1.141 352 T CB -0.319 68.608 68.868 0.098 0.000 0.868 352 T HN 0.460 nan 8.240 nan 0.000 0.444 353 M N 0.710 120.283 119.600 -0.044 0.000 2.149 353 M HA -0.103 4.296 4.480 -0.133 0.000 0.261 353 M C 2.367 178.651 176.300 -0.026 0.000 1.064 353 M CA 1.154 56.433 55.300 -0.035 0.000 1.102 353 M CB -0.629 31.946 32.600 -0.041 0.000 1.369 353 M HN 0.100 nan 8.290 nan 0.000 0.408 354 V N 0.632 120.522 119.914 -0.040 0.000 2.469 354 V HA -0.271 3.769 4.120 -0.133 0.000 0.251 354 V C 2.154 178.239 176.094 -0.014 0.000 1.064 354 V CA 1.627 63.908 62.300 -0.030 0.000 1.066 354 V CB -0.664 31.133 31.823 -0.043 0.000 0.667 354 V HN 0.474 nan 8.190 nan 0.000 0.461 355 I N 0.574 121.137 120.570 -0.012 0.000 2.423 355 I HA -0.286 3.804 4.170 -0.133 0.000 0.254 355 I C 2.569 178.721 176.117 0.058 0.000 1.151 355 I CA 1.349 62.658 61.300 0.016 0.000 1.421 355 I CB -0.493 37.527 38.000 0.033 0.000 1.079 355 I HN 0.330 nan 8.210 nan 0.000 0.431 356 A N 0.253 123.099 122.820 0.043 0.000 2.019 356 A HA -0.130 4.110 4.320 -0.133 0.000 0.219 356 A C 2.373 179.976 177.584 0.031 0.000 1.164 356 A CA 1.515 53.578 52.037 0.042 0.000 0.644 356 A CB -0.667 18.345 19.000 0.020 0.000 0.805 356 A HN 0.272 nan 8.150 nan 0.000 0.449 357 V N 0.630 120.559 119.914 0.024 0.000 2.283 357 V HA -0.121 3.919 4.120 -0.133 0.000 0.243 357 V C -0.174 175.929 176.094 0.015 0.000 1.039 357 V CA 2.207 64.523 62.300 0.026 0.000 1.016 357 V CB -1.571 30.263 31.823 0.019 0.000 0.650 357 V HN 0.409 nan 8.190 nan 0.000 0.449 358 P HA -0.064 nan 4.420 nan 0.000 0.219 358 P C 1.677 178.951 177.300 -0.045 0.000 1.150 358 P CA 1.399 64.493 63.100 -0.011 0.000 0.814 358 P CB -0.242 31.460 31.700 0.003 0.000 0.787 359 T N -0.786 113.770 114.554 0.004 0.000 2.777 359 T HA -0.061 4.209 4.350 -0.133 0.000 0.266 359 T C 2.116 176.742 174.700 -0.124 0.000 1.040 359 T CA 1.709 63.808 62.100 -0.002 0.000 1.141 359 T CB -1.261 67.732 68.868 0.209 0.000 0.868 359 T HN 0.166 nan 8.240 nan 0.000 0.444 360 G N 1.523 110.248 108.800 -0.124 0.000 2.440 360 G HA2 -0.162 3.718 3.960 -0.133 0.000 0.218 360 G HA3 -0.162 3.718 3.960 -0.133 0.000 0.218 360 G C 1.530 176.236 174.900 -0.323 0.000 1.154 360 G CA 0.570 45.478 45.100 -0.319 0.000 0.767 360 G HN 0.488 nan 8.290 nan 0.000 0.552 361 I N 0.521 121.039 120.570 -0.087 0.000 2.194 361 I HA -0.235 3.855 4.170 -0.133 0.000 0.246 361 I C 2.844 178.830 176.117 -0.217 0.000 1.093 361 I CA 1.490 62.769 61.300 -0.037 0.000 1.355 361 I CB -0.136 37.849 38.000 -0.024 0.000 1.046 361 I HN 0.152 nan 8.210 nan 0.000 0.413 362 K N 0.321 120.476 120.400 -0.408 0.000 2.057 362 K HA -0.130 4.110 4.320 -0.133 0.000 0.206 362 K C 2.117 178.181 176.600 -0.893 0.000 1.050 362 K CA 1.174 56.952 56.287 -0.849 0.000 0.935 362 K CB -0.108 31.730 32.500 -1.104 0.000 0.715 362 K HN 0.206 nan 8.250 nan 0.000 0.439 363 I N 0.746 121.062 120.570 -0.424 0.000 2.163 363 I HA -0.241 3.849 4.170 -0.133 0.000 0.243 363 I C 2.234 178.324 176.117 -0.045 0.000 1.085 363 I CA 1.642 62.913 61.300 -0.048 0.000 1.347 363 I CB -1.022 36.872 38.000 -0.176 0.000 1.044 363 I HN 0.015 nan 8.210 nan 0.000 0.408 364 F N 1.335 121.259 119.950 -0.044 0.000 2.234 364 F HA -0.110 4.337 4.527 -0.133 0.000 0.299 364 F C 2.819 178.507 175.800 -0.187 0.000 1.087 364 F CA 0.905 58.848 58.000 -0.095 0.000 1.340 364 F CB -1.378 37.546 39.000 -0.128 0.000 1.031 364 F HN 0.003 nan 8.300 nan 0.000 0.500 365 S N -1.090 114.569 115.700 -0.068 0.000 2.383 365 S HA -0.169 4.221 4.470 -0.133 0.000 0.227 365 S C 1.885 176.478 174.600 -0.013 0.000 1.026 365 S CA 0.850 58.969 58.200 -0.136 0.000 0.981 365 S CB -0.393 62.740 63.200 -0.112 0.000 0.818 365 S HN 0.384 nan 8.310 nan 0.000 0.472 366 W N 1.754 123.077 121.300 0.038 0.000 2.358 366 W HA 0.073 4.653 4.660 -0.134 0.000 0.303 366 W C 2.018 178.578 176.519 0.069 0.000 1.208 366 W CA 0.201 57.578 57.345 0.054 0.000 1.274 366 W CB -1.104 28.383 29.460 0.045 0.000 1.138 366 W HN 0.309 nan 8.180 nan 0.000 0.515 367 I N 0.328 121.075 120.570 0.295 0.000 2.226 367 I HA -0.260 3.830 4.170 -0.133 0.000 0.245 367 I C 2.550 178.781 176.117 0.189 0.000 1.100 367 I CA 1.512 62.959 61.300 0.244 0.000 1.374 367 I CB -1.002 37.149 38.000 0.252 0.000 1.057 367 I HN -0.189 nan 8.210 nan 0.000 0.413 368 A N 0.463 123.275 122.820 -0.014 0.000 1.969 368 A HA -0.166 4.074 4.320 -0.133 0.000 0.218 368 A C 2.359 179.996 177.584 0.087 0.000 1.169 368 A CA 2.175 54.099 52.037 -0.188 0.000 0.635 368 A CB -0.960 17.431 19.000 -1.015 0.000 0.810 368 A HN 0.390 nan 8.150 nan 0.000 0.445 369 T N 0.218 114.876 114.554 0.172 0.000 2.746 369 T HA -0.146 4.123 4.350 -0.133 0.000 0.267 369 T C 1.933 176.749 174.700 0.194 0.000 1.039 369 T CA 1.736 63.983 62.100 0.245 0.000 1.142 369 T CB -0.313 68.716 68.868 0.267 0.000 0.866 369 T HN 0.466 nan 8.240 nan 0.000 0.444 370 M N -0.516 119.197 119.600 0.190 0.000 2.159 370 M HA -0.014 4.386 4.480 -0.133 0.000 0.263 370 M C 1.072 177.456 176.300 0.139 0.000 1.063 370 M CA 0.717 56.099 55.300 0.136 0.000 1.110 370 M CB -0.203 32.478 32.600 0.135 0.000 1.374 370 M HN 0.326 nan 8.290 nan 0.000 0.411 371 W N 1.873 123.186 121.300 0.022 0.000 2.397 371 W HA 0.117 4.697 4.660 -0.134 0.000 0.327 371 W C 0.898 177.431 176.519 0.024 0.000 1.421 371 W CA 1.726 59.078 57.345 0.012 0.000 1.288 371 W CB 0.143 29.598 29.460 -0.009 0.000 1.312 371 W HN 0.607 nan 8.180 nan 0.000 0.559 372 G N 3.655 112.400 108.800 -0.091 0.000 2.162 372 G HA2 -0.254 3.626 3.960 -0.133 0.000 0.260 372 G HA3 -0.254 3.626 3.960 -0.133 0.000 0.260 372 G C 0.377 175.268 174.900 -0.014 0.000 0.976 372 G CA 0.098 45.191 45.100 -0.013 0.000 0.655 372 G HN 0.921 nan 8.290 nan 0.000 0.533 373 G N -0.845 107.934 108.800 -0.034 0.000 2.510 373 G HA2 0.541 4.420 3.960 -0.133 0.000 0.280 373 G HA3 0.541 4.420 3.960 -0.133 0.000 0.280 373 G C 0.174 175.031 174.900 -0.073 0.000 1.386 373 G CA 0.634 45.705 45.100 -0.049 0.000 1.047 373 G HN 1.084 nan 8.290 nan 0.000 0.527 374 S N -0.394 115.256 115.700 -0.083 0.000 2.542 374 S HA 0.421 4.811 4.470 -0.133 0.000 0.245 374 S C -0.206 174.364 174.600 -0.050 0.000 1.325 374 S CA -0.569 57.591 58.200 -0.065 0.000 1.176 374 S CB -0.358 62.806 63.200 -0.060 0.000 1.045 374 S HN 0.362 nan 8.310 nan 0.000 0.481 375 I N 3.538 124.082 120.570 -0.044 0.000 2.396 375 I HA 0.266 4.356 4.170 -0.133 0.000 0.289 375 I C 0.563 176.677 176.117 -0.004 0.000 1.056 375 I CA -0.077 61.207 61.300 -0.027 0.000 1.365 375 I CB 0.847 38.819 38.000 -0.046 0.000 1.407 375 I HN 0.528 nan 8.210 nan 0.000 0.509 376 E N 7.020 127.246 120.200 0.043 0.000 2.113 376 E HA 0.304 4.574 4.350 -0.133 0.000 0.273 376 E C -0.506 176.073 176.600 -0.036 0.000 0.924 376 E CA -0.613 55.826 56.400 0.064 0.000 0.764 376 E CB 1.038 30.857 29.700 0.198 0.000 1.104 376 E HN 0.597 nan 8.360 nan 0.000 0.406 377 L N 5.394 126.564 121.223 -0.089 0.000 2.955 377 L HA 0.168 4.428 4.340 -0.133 0.000 0.238 377 L C 0.413 177.129 176.870 -0.257 0.000 1.359 377 L CA -0.209 54.515 54.840 -0.194 0.000 1.214 377 L CB -0.514 41.462 42.059 -0.139 0.000 1.600 377 L HN 0.262 nan 8.230 nan 0.000 0.442 378 K N -0.214 119.974 120.400 -0.353 0.000 2.180 378 K HA 0.138 4.378 4.320 -0.133 0.000 0.251 378 K C 1.378 177.670 176.600 -0.513 0.000 1.014 378 K CA -0.113 55.966 56.287 -0.346 0.000 0.913 378 K CB 0.793 33.065 32.500 -0.380 0.000 1.008 378 K HN 0.042 nan 8.250 nan 0.000 0.490 379 T N 2.442 116.809 114.554 -0.311 0.000 2.653 379 T HA -0.131 4.139 4.350 -0.133 0.000 0.268 379 T C -1.059 173.352 174.700 -0.482 0.000 1.035 379 T CA 1.717 63.534 62.100 -0.472 0.000 1.154 379 T CB -0.832 67.734 68.868 -0.503 0.000 0.862 379 T HN 0.476 nan 8.240 nan 0.000 0.441 380 P HA -0.035 nan 4.420 nan 0.000 0.218 380 P C 1.545 178.577 177.300 -0.446 0.000 1.148 380 P CA 0.877 63.822 63.100 -0.257 0.000 0.822 380 P CB -0.106 31.447 31.700 -0.244 0.000 0.784 381 M N -1.106 118.020 119.600 -0.790 0.000 2.175 381 M HA -0.063 4.337 4.480 -0.133 0.000 0.264 381 M C 1.797 177.776 176.300 -0.535 0.000 1.063 381 M CA 1.663 56.604 55.300 -0.598 0.000 1.119 381 M CB -1.334 30.887 32.600 -0.632 0.000 1.377 381 M HN -0.200 nan 8.290 nan 0.000 0.415 382 L N -1.657 119.098 121.223 -0.781 0.000 2.012 382 L HA -0.228 4.032 4.340 -0.133 0.000 0.210 382 L C 2.215 178.430 176.870 -1.091 0.000 1.073 382 L CA 1.692 55.769 54.840 -1.272 0.000 0.748 382 L CB -0.985 39.821 42.059 -2.087 0.000 0.891 382 L HN 0.412 nan 8.230 nan 0.000 0.431 383 W N -0.201 120.741 121.300 -0.596 0.000 2.338 383 W HA -0.225 4.356 4.660 -0.132 0.000 0.304 383 W C 2.751 179.330 176.519 0.101 0.000 1.212 383 W CA 0.944 58.242 57.345 -0.078 0.000 1.264 383 W CB -0.462 28.945 29.460 -0.088 0.000 1.142 383 W HN 0.124 nan 8.180 nan 0.000 0.512 384 A N 0.168 123.037 122.820 0.081 0.000 1.902 384 A HA -0.167 4.073 4.320 -0.133 0.000 0.217 384 A C 1.948 179.576 177.584 0.072 0.000 1.181 384 A CA 1.577 53.602 52.037 -0.019 0.000 0.623 384 A CB -0.996 17.873 19.000 -0.218 0.000 0.818 384 A HN 0.315 nan 8.150 nan 0.000 0.443 385 L N -0.896 120.327 121.223 -0.001 0.000 2.109 385 L HA -0.055 4.205 4.340 -0.133 0.000 0.207 385 L C 2.844 179.851 176.870 0.229 0.000 1.086 385 L CA 0.899 55.771 54.840 0.053 0.000 0.760 385 L CB -0.872 41.137 42.059 -0.083 0.000 0.910 385 L HN 0.480 nan 8.230 nan 0.000 0.437 386 G N 0.069 109.075 108.800 0.343 0.000 2.440 386 G HA2 -0.349 3.531 3.960 -0.133 0.000 0.218 386 G HA3 -0.349 3.531 3.960 -0.133 0.000 0.218 386 G C 1.504 176.706 174.900 0.502 0.000 1.154 386 G CA 0.747 46.239 45.100 0.654 0.000 0.767 386 G HN 0.300 nan 8.290 nan 0.000 0.552 387 F N 1.429 121.607 119.950 0.379 0.000 2.065 387 F HA -0.108 4.339 4.527 -0.134 0.000 0.298 387 F C 2.507 178.407 175.800 0.165 0.000 1.112 387 F CA 1.505 59.623 58.000 0.196 0.000 1.212 387 F CB -0.313 38.764 39.000 0.129 0.000 0.975 387 F HN 0.065 nan 8.300 nan 0.000 0.476 388 L N -0.900 120.538 121.223 0.358 0.000 2.013 388 L HA -0.255 4.005 4.340 -0.133 0.000 0.212 388 L C 2.496 179.501 176.870 0.225 0.000 1.073 388 L CA 1.905 56.914 54.840 0.281 0.000 0.753 388 L CB -1.113 41.115 42.059 0.282 0.000 0.890 388 L HN 0.300 nan 8.230 nan 0.000 0.432 389 F N 0.623 120.647 119.950 0.123 0.000 2.113 389 F HA -0.153 4.294 4.527 -0.133 0.000 0.297 389 F C 2.154 177.991 175.800 0.062 0.000 1.103 389 F CA 1.474 59.544 58.000 0.116 0.000 1.248 389 F CB -0.250 38.862 39.000 0.186 0.000 0.999 389 F HN -0.147 nan 8.300 nan 0.000 0.475 390 L N -1.288 119.804 121.223 -0.218 0.000 2.131 390 L HA -0.117 4.143 4.340 -0.133 0.000 0.206 390 L C 2.407 179.107 176.870 -0.283 0.000 1.087 390 L CA 1.023 55.650 54.840 -0.354 0.000 0.767 390 L CB -0.895 40.971 42.059 -0.322 0.000 0.917 390 L HN 0.178 nan 8.230 nan 0.000 0.441 391 F N 1.083 120.737 119.950 -0.493 0.000 2.171 391 F HA -0.232 4.215 4.527 -0.134 0.000 0.300 391 F C 2.420 178.056 175.800 -0.273 0.000 1.090 391 F CA 1.852 59.558 58.000 -0.490 0.000 1.293 391 F CB -0.290 38.151 39.000 -0.930 0.000 1.013 391 F HN -0.055 nan 8.300 nan 0.000 0.486 392 T N -0.124 114.331 114.554 -0.165 0.000 2.746 392 T HA -0.164 4.106 4.350 -0.133 0.000 0.267 392 T C 2.194 176.717 174.700 -0.294 0.000 1.039 392 T CA 1.573 63.571 62.100 -0.170 0.000 1.142 392 T CB -0.653 68.194 68.868 -0.035 0.000 0.866 392 T HN 0.112 nan 8.240 nan 0.000 0.444 393 V N 1.453 121.129 119.914 -0.398 0.000 2.287 393 V HA -0.157 3.883 4.120 -0.133 0.000 0.248 393 V C 2.861 178.677 176.094 -0.463 0.000 1.053 393 V CA 2.120 64.127 62.300 -0.489 0.000 1.027 393 V CB -1.338 30.047 31.823 -0.729 0.000 0.646 393 V HN 0.609 nan 8.190 nan 0.000 0.447 394 G N -0.388 108.159 108.800 -0.422 0.000 2.408 394 G HA2 -0.118 3.762 3.960 -0.133 0.000 0.217 394 G HA3 -0.118 3.762 3.960 -0.133 0.000 0.217 394 G C 1.592 176.327 174.900 -0.275 0.000 1.150 394 G CA 0.890 45.789 45.100 -0.335 0.000 0.776 394 G HN 0.598 nan 8.290 nan 0.000 0.542 395 G N 0.674 109.196 108.800 -0.462 0.000 2.402 395 G HA2 -0.097 3.783 3.960 -0.133 0.000 0.216 395 G HA3 -0.097 3.783 3.960 -0.133 0.000 0.216 395 G C 1.927 176.716 174.900 -0.184 0.000 1.162 395 G CA 1.815 46.704 45.100 -0.352 0.000 0.777 395 G HN 0.728 nan 8.290 nan 0.000 0.539 396 V N -0.031 119.770 119.914 -0.187 0.000 2.667 396 V HA -0.076 3.964 4.120 -0.133 0.000 0.252 396 V C 2.803 178.817 176.094 -0.133 0.000 1.065 396 V CA 2.367 64.585 62.300 -0.136 0.000 1.083 396 V CB -1.245 30.507 31.823 -0.118 0.000 0.692 396 V HN 0.434 nan 8.190 nan 0.000 0.468 397 T N -1.696 112.759 114.554 -0.165 0.000 2.951 397 T HA 0.080 4.350 4.350 -0.133 0.000 0.268 397 T C 2.015 176.577 174.700 -0.230 0.000 1.073 397 T CA 1.210 63.224 62.100 -0.143 0.000 1.134 397 T CB -0.702 68.012 68.868 -0.257 0.000 0.884 397 T HN 0.613 nan 8.240 nan 0.000 0.479 398 G N 1.970 110.563 108.800 -0.345 0.000 2.422 398 G HA2 -0.084 3.796 3.960 -0.133 0.000 0.218 398 G HA3 -0.084 3.796 3.960 -0.133 0.000 0.218 398 G C 1.462 176.180 174.900 -0.303 0.000 1.146 398 G CA 0.697 45.438 45.100 -0.599 0.000 0.769 398 G HN 0.447 nan 8.290 nan 0.000 0.547 399 I N 0.934 121.403 120.570 -0.167 0.000 2.252 399 I HA -0.099 3.991 4.170 -0.133 0.000 0.245 399 I C 2.994 179.068 176.117 -0.073 0.000 1.102 399 I CA 0.590 61.830 61.300 -0.100 0.000 1.385 399 I CB -1.113 36.849 38.000 -0.064 0.000 1.064 399 I HN 0.029 nan 8.210 nan 0.000 0.414 400 V N 1.233 121.116 119.914 -0.052 0.000 2.282 400 V HA -0.288 3.752 4.120 -0.133 0.000 0.249 400 V C 2.588 178.694 176.094 0.019 0.000 1.057 400 V CA 1.737 64.040 62.300 0.005 0.000 1.032 400 V CB -0.633 31.232 31.823 0.070 0.000 0.645 400 V HN 0.345 nan 8.190 nan 0.000 0.447 401 L N 0.744 121.952 121.223 -0.024 0.000 2.201 401 L HA -0.113 4.147 4.340 -0.133 0.000 0.212 401 L C 2.651 179.536 176.870 0.026 0.000 1.105 401 L CA 1.472 56.311 54.840 -0.002 0.000 0.775 401 L CB -0.652 41.323 42.059 -0.141 0.000 0.913 401 L HN 0.565 nan 8.230 nan 0.000 0.440 402 S N -1.302 114.370 115.700 -0.046 0.000 2.419 402 S HA -0.136 4.254 4.470 -0.133 0.000 0.233 402 S C 1.105 175.765 174.600 0.100 0.000 1.016 402 S CA 0.473 58.700 58.200 0.044 0.000 0.974 402 S CB -0.303 62.873 63.200 -0.039 0.000 0.786 402 S HN 0.332 nan 8.310 nan 0.000 0.492 403 Q N 1.476 121.275 119.800 -0.002 0.000 2.381 403 Q HA 0.470 4.730 4.340 -0.133 0.000 0.243 403 Q C 1.331 177.214 176.000 -0.194 0.000 1.154 403 Q CA 0.424 56.170 55.803 -0.093 0.000 0.899 403 Q CB 0.424 29.121 28.738 -0.068 0.000 1.396 403 Q HN 0.503 nan 8.270 nan 0.000 0.485 404 A N 2.959 125.462 122.820 -0.527 0.000 1.971 404 A HA -0.294 3.946 4.320 -0.133 0.000 0.222 404 A C 2.129 179.505 177.584 -0.348 0.000 1.182 404 A CA 2.398 53.931 52.037 -0.841 0.000 0.649 404 A CB -0.356 17.927 19.000 -1.196 0.000 0.818 404 A HN 0.714 nan 8.150 nan 0.000 0.458 405 S N -0.900 114.656 115.700 -0.239 0.000 2.402 405 S HA -0.055 4.335 4.470 -0.133 0.000 0.229 405 S C 1.607 176.136 174.600 -0.119 0.000 1.021 405 S CA 1.340 59.450 58.200 -0.150 0.000 0.974 405 S CB -0.545 62.580 63.200 -0.124 0.000 0.800 405 S HN 0.298 nan 8.310 nan 0.000 0.484 406 V N 2.020 121.863 119.914 -0.118 0.000 2.725 406 V HA 0.003 4.043 4.120 -0.133 0.000 0.247 406 V C 2.344 178.391 176.094 -0.080 0.000 1.058 406 V CA 1.474 63.690 62.300 -0.139 0.000 1.080 406 V CB -0.773 30.982 31.823 -0.114 0.000 0.713 406 V HN 0.428 nan 8.190 nan 0.000 0.465 407 D N 0.430 120.848 120.400 0.031 0.000 2.221 407 D HA -0.225 4.335 4.640 -0.133 0.000 0.204 407 D C 2.180 178.567 176.300 0.145 0.000 0.982 407 D CA 0.972 55.071 54.000 0.165 0.000 0.857 407 D CB -0.021 40.942 40.800 0.272 0.000 0.934 407 D HN 0.164 nan 8.370 nan 0.000 0.475 408 R N -1.032 119.496 120.500 0.047 0.000 2.103 408 R HA -0.211 4.049 4.340 -0.133 0.000 0.242 408 R C 1.985 178.321 176.300 0.060 0.000 1.142 408 R CA 1.537 57.664 56.100 0.045 0.000 0.960 408 R CB -0.838 29.461 30.300 -0.001 0.000 0.858 408 R HN 0.379 nan 8.270 nan 0.000 0.439 409 Y N -1.389 118.833 120.300 -0.131 0.000 2.243 409 Y HA -0.116 4.354 4.550 -0.133 0.000 0.293 409 Y C 1.296 177.132 175.900 -0.107 0.000 1.124 409 Y CA 1.388 59.373 58.100 -0.192 0.000 1.159 409 Y CB -0.049 38.162 38.460 -0.415 0.000 1.008 409 Y HN 0.076 nan 8.280 nan 0.000 0.527 410 Y N -0.874 119.532 120.300 0.177 0.000 2.475 410 Y HA 0.006 4.476 4.550 -0.133 0.000 0.289 410 Y C 0.886 176.839 175.900 0.088 0.000 1.121 410 Y CA 0.553 58.715 58.100 0.104 0.000 1.257 410 Y CB -1.235 37.214 38.460 -0.018 0.000 1.026 410 Y HN 0.101 nan 8.280 nan 0.000 0.555 411 H N 1.509 120.688 119.070 0.182 0.000 3.001 411 H HA 0.001 4.477 4.556 -0.134 0.000 0.334 411 H C 0.629 176.011 175.328 0.089 0.000 1.034 411 H CA 0.517 56.642 56.048 0.129 0.000 1.420 411 H CB 0.020 29.847 29.762 0.108 0.000 1.405 411 H HN 0.212 nan 8.280 nan 0.000 0.593 412 D N 2.524 122.526 120.400 -0.664 0.000 2.837 412 D HA -0.201 4.359 4.640 -0.133 0.000 0.230 412 D C -0.397 175.792 176.300 -0.184 0.000 1.152 412 D CA 1.403 55.147 54.000 -0.427 0.000 0.736 412 D CB -0.817 39.748 40.800 -0.392 0.000 1.084 412 D HN 0.761 nan 8.370 nan 0.000 0.429 413 T N -4.109 110.390 114.554 -0.091 0.000 2.927 413 T HA 0.425 4.695 4.350 -0.133 0.000 0.286 413 T C 1.065 175.742 174.700 -0.039 0.000 1.040 413 T CA -0.736 61.352 62.100 -0.020 0.000 1.010 413 T CB 0.944 69.878 68.868 0.109 0.000 1.177 413 T HN -0.070 nan 8.240 nan 0.000 0.546 414 Y N -0.539 119.705 120.300 -0.093 0.000 2.639 414 Y HA 0.038 4.508 4.550 -0.133 0.000 0.297 414 Y C 1.978 177.771 175.900 -0.178 0.000 1.151 414 Y CA 0.705 58.720 58.100 -0.141 0.000 1.335 414 Y CB -0.566 37.781 38.460 -0.187 0.000 0.994 414 Y HN 0.823 nan 8.280 nan 0.000 0.548 415 Y N -0.856 119.375 120.300 -0.115 0.000 2.242 415 Y HA -0.225 4.245 4.550 -0.133 0.000 0.291 415 Y C 2.173 177.888 175.900 -0.308 0.000 1.137 415 Y CA 1.375 59.300 58.100 -0.292 0.000 1.181 415 Y CB -0.306 37.868 38.460 -0.477 0.000 0.989 415 Y HN -0.096 nan 8.280 nan 0.000 0.527 416 V N -1.098 118.795 119.914 -0.036 0.000 2.295 416 V HA -0.305 3.735 4.120 -0.133 0.000 0.246 416 V C 2.290 178.181 176.094 -0.339 0.000 1.049 416 V CA 1.720 64.000 62.300 -0.034 0.000 1.024 416 V CB -0.906 30.973 31.823 0.094 0.000 0.648 416 V HN 0.306 nan 8.190 nan 0.000 0.447 417 V N 0.565 120.141 119.914 -0.562 0.000 2.332 417 V HA -0.299 3.741 4.120 -0.133 0.000 0.248 417 V C 2.715 178.291 176.094 -0.863 0.000 1.055 417 V CA 2.129 63.792 62.300 -1.062 0.000 1.038 417 V CB -1.300 30.078 31.823 -0.743 0.000 0.651 417 V HN 0.562 nan 8.190 nan 0.000 0.450 418 A N -0.133 122.315 122.820 -0.619 0.000 1.877 418 A HA -0.289 3.951 4.320 -0.133 0.000 0.216 418 A C 2.128 179.384 177.584 -0.547 0.000 1.186 418 A CA 2.238 53.876 52.037 -0.664 0.000 0.620 418 A CB -0.891 17.314 19.000 -1.325 0.000 0.822 418 A HN 0.766 nan 8.150 nan 0.000 0.443 419 H N 0.393 119.094 119.070 -0.616 0.000 2.265 419 H HA -0.252 4.224 4.556 -0.133 0.000 0.293 419 H C 1.647 176.795 175.328 -0.299 0.000 1.089 419 H CA 2.752 58.559 56.048 -0.402 0.000 1.244 419 H CB -0.792 28.791 29.762 -0.299 0.000 1.355 419 H HN 0.611 nan 8.280 nan 0.000 0.485 420 F N -1.159 118.391 119.950 -0.665 0.000 2.325 420 F HA 0.092 4.539 4.527 -0.133 0.000 0.299 420 F C 2.000 177.349 175.800 -0.752 0.000 1.090 420 F CA 1.089 58.606 58.000 -0.804 0.000 1.392 420 F CB -1.059 37.609 39.000 -0.554 0.000 1.053 420 F HN 0.204 nan 8.300 nan 0.000 0.521 421 H N -1.550 117.076 119.070 -0.740 0.000 2.428 421 H HA -0.018 4.457 4.556 -0.134 0.000 0.296 421 H C 1.619 176.461 175.328 -0.811 0.000 1.062 421 H CA 2.057 57.538 56.048 -0.946 0.000 1.350 421 H CB -0.465 28.105 29.762 -1.986 0.000 1.403 421 H HN 0.255 nan 8.280 nan 0.000 0.533 422 Y N 0.195 120.149 120.300 -0.577 0.000 2.181 422 Y HA -0.240 4.230 4.550 -0.133 0.000 0.288 422 Y C 2.588 178.234 175.900 -0.423 0.000 1.146 422 Y CA 1.495 59.326 58.100 -0.448 0.000 1.164 422 Y CB -0.291 37.932 38.460 -0.396 0.000 0.982 422 Y HN 0.147 nan 8.280 nan 0.000 0.515 423 V N -2.938 116.773 119.914 -0.338 0.000 2.548 423 V HA -0.219 3.821 4.120 -0.133 0.000 0.249 423 V C 1.796 177.808 176.094 -0.137 0.000 1.055 423 V CA 1.714 63.847 62.300 -0.279 0.000 1.065 423 V CB -0.539 31.037 31.823 -0.411 0.000 0.681 423 V HN 0.355 nan 8.190 nan 0.000 0.462 424 M N 0.390 119.843 119.600 -0.245 0.000 2.398 424 M HA 0.069 4.469 4.480 -0.133 0.000 0.261 424 M C 2.473 178.686 176.300 -0.144 0.000 1.125 424 M CA 1.624 56.803 55.300 -0.202 0.000 1.183 424 M CB -0.201 32.221 32.600 -0.296 0.000 1.322 424 M HN 0.400 nan 8.290 nan 0.000 0.467 425 S N 0.232 115.813 115.700 -0.198 0.000 2.478 425 S HA 0.156 4.546 4.470 -0.133 0.000 0.222 425 S C 1.424 176.034 174.600 0.017 0.000 1.008 425 S CA 0.472 58.631 58.200 -0.069 0.000 0.928 425 S CB 0.095 63.262 63.200 -0.054 0.000 0.781 425 S HN 0.364 nan 8.310 nan 0.000 0.518 426 L N 0.267 121.369 121.223 -0.202 0.000 2.808 426 L HA 0.446 4.706 4.340 -0.133 0.000 0.246 426 L C 1.601 178.216 176.870 -0.426 0.000 1.153 426 L CA 0.157 54.735 54.840 -0.437 0.000 0.956 426 L CB 0.555 42.221 42.059 -0.655 0.000 1.270 426 L HN 0.379 nan 8.230 nan 0.000 0.528 427 G N -0.754 107.996 108.800 -0.082 0.000 2.446 427 G HA2 0.164 4.044 3.960 -0.133 0.000 0.200 427 G HA3 0.164 4.044 3.960 -0.133 0.000 0.200 427 G C 1.395 176.539 174.900 0.406 0.000 1.707 427 G CA 0.682 45.831 45.100 0.081 0.000 0.697 427 G HN 0.110 nan 8.290 nan 0.000 0.675 428 A N 0.172 123.134 122.820 0.237 0.000 1.933 428 A HA 0.098 4.338 4.320 -0.133 0.000 0.218 428 A C 2.495 180.135 177.584 0.093 0.000 1.175 428 A CA 2.054 54.183 52.037 0.153 0.000 0.628 428 A CB -0.714 18.286 19.000 0.000 0.000 0.814 428 A HN 0.361 nan 8.150 nan 0.000 0.444 429 V N -1.359 118.597 119.914 0.069 0.000 2.515 429 V HA -0.195 3.845 4.120 -0.133 0.000 0.250 429 V C 2.236 178.313 176.094 -0.030 0.000 1.058 429 V CA 1.705 63.956 62.300 -0.081 0.000 1.064 429 V CB -0.903 30.880 31.823 -0.067 0.000 0.675 429 V HN 0.544 nan 8.190 nan 0.000 0.461 430 F N 1.435 121.434 119.950 0.082 0.000 2.234 430 F HA -0.002 4.445 4.527 -0.134 0.000 0.299 430 F C 2.340 178.206 175.800 0.111 0.000 1.087 430 F CA 1.184 59.350 58.000 0.277 0.000 1.340 430 F CB -1.267 38.074 39.000 0.568 0.000 1.031 430 F HN 0.200 nan 8.300 nan 0.000 0.500 431 G N 0.071 109.011 108.800 0.234 0.000 2.422 431 G HA2 -0.201 3.679 3.960 -0.133 0.000 0.218 431 G HA3 -0.201 3.679 3.960 -0.133 0.000 0.218 431 G C 1.861 176.716 174.900 -0.074 0.000 1.146 431 G CA 0.866 45.949 45.100 -0.029 0.000 0.769 431 G HN 0.349 nan 8.290 nan 0.000 0.547 432 I N -0.138 120.378 120.570 -0.090 0.000 2.179 432 I HA -0.131 3.959 4.170 -0.133 0.000 0.242 432 I C 2.408 178.437 176.117 -0.147 0.000 1.088 432 I CA 0.909 62.167 61.300 -0.069 0.000 1.357 432 I CB -0.271 37.586 38.000 -0.239 0.000 1.051 432 I HN 0.040 nan 8.210 nan 0.000 0.409 433 F N 1.040 120.760 119.950 -0.384 0.000 2.186 433 F HA -0.125 4.322 4.527 -0.133 0.000 0.299 433 F C 2.621 178.120 175.800 -0.502 0.000 1.090 433 F CA 0.942 58.501 58.000 -0.735 0.000 1.307 433 F CB -1.265 36.594 39.000 -1.901 0.000 1.019 433 F HN -0.002 nan 8.300 nan 0.000 0.489 434 A N 0.386 123.082 122.820 -0.207 0.000 1.883 434 A HA -0.105 4.135 4.320 -0.133 0.000 0.217 434 A C 2.632 180.149 177.584 -0.112 0.000 1.186 434 A CA 1.967 53.971 52.037 -0.055 0.000 0.624 434 A CB -1.566 17.375 19.000 -0.099 0.000 0.822 434 A HN 0.398 nan 8.150 nan 0.000 0.444 435 G N -0.186 108.463 108.800 -0.251 0.000 2.418 435 G HA2 -0.165 3.715 3.960 -0.133 0.000 0.217 435 G HA3 -0.165 3.715 3.960 -0.133 0.000 0.217 435 G C 1.544 176.437 174.900 -0.011 0.000 1.158 435 G CA 1.072 45.877 45.100 -0.493 0.000 0.771 435 G HN 0.473 nan 8.290 nan 0.000 0.545 436 I N -0.602 120.130 120.570 0.270 0.000 2.127 436 I HA -0.211 3.879 4.170 -0.133 0.000 0.241 436 I C 2.497 178.746 176.117 0.221 0.000 1.075 436 I CA 1.204 62.723 61.300 0.365 0.000 1.334 436 I CB -0.285 37.881 38.000 0.277 0.000 1.040 436 I HN 0.127 nan 8.210 nan 0.000 0.405 437 Y N -0.557 119.870 120.300 0.212 0.000 2.224 437 Y HA -0.268 4.203 4.550 -0.132 0.000 0.289 437 Y C 2.299 178.530 175.900 0.552 0.000 1.146 437 Y CA 1.524 59.704 58.100 0.133 0.000 1.182 437 Y CB -0.632 37.755 38.460 -0.121 0.000 0.983 437 Y HN 0.090 nan 8.280 nan 0.000 0.524 438 F N -1.209 118.969 119.950 0.381 0.000 2.134 438 F HA -0.247 4.200 4.527 -0.134 0.000 0.299 438 F C 1.445 177.678 175.800 0.723 0.000 1.097 438 F CA 1.576 59.803 58.000 0.378 0.000 1.264 438 F CB -0.274 38.515 39.000 -0.351 0.000 1.001 438 F HN 0.063 nan 8.300 nan 0.000 0.479 439 W N -0.872 120.716 121.300 0.479 0.000 2.998 439 W HA 0.244 4.825 4.660 -0.132 0.000 0.336 439 W C 2.001 178.717 176.519 0.329 0.000 1.112 439 W CA -0.367 57.153 57.345 0.291 0.000 1.682 439 W CB -0.705 28.753 29.460 -0.004 0.000 1.065 439 W HN 0.012 nan 8.180 nan 0.000 0.570 440 I N 0.579 121.464 120.570 0.526 0.000 2.264 440 I HA -0.206 3.884 4.170 -0.133 0.000 0.248 440 I C 2.296 178.547 176.117 0.224 0.000 1.111 440 I CA 2.158 63.643 61.300 0.308 0.000 1.382 440 I CB -0.483 37.644 38.000 0.212 0.000 1.060 440 I HN -0.081 nan 8.210 nan 0.000 0.418 441 G N 0.509 109.439 108.800 0.217 0.000 2.418 441 G HA2 -0.344 3.536 3.960 -0.133 0.000 0.217 441 G HA3 -0.344 3.536 3.960 -0.133 0.000 0.217 441 G C 1.632 176.626 174.900 0.157 0.000 1.158 441 G CA 1.073 46.111 45.100 -0.103 0.000 0.771 441 G HN 0.296 nan 8.290 nan 0.000 0.545 442 K N 0.365 121.060 120.400 0.492 0.000 2.057 442 K HA 0.075 4.315 4.320 -0.133 0.000 0.207 442 K C 2.457 179.164 176.600 0.179 0.000 1.049 442 K CA 1.286 57.802 56.287 0.383 0.000 0.931 442 K CB -0.379 32.296 32.500 0.292 0.000 0.714 442 K HN 0.358 nan 8.250 nan 0.000 0.440 443 M N -0.291 119.375 119.600 0.110 0.000 2.288 443 M HA -0.036 4.363 4.480 -0.133 0.000 0.266 443 M C 1.842 178.169 176.300 0.044 0.000 1.072 443 M CA 1.604 56.873 55.300 -0.052 0.000 1.132 443 M CB 0.045 32.494 32.600 -0.252 0.000 1.386 443 M HN 0.323 nan 8.290 nan 0.000 0.432 444 S N -1.648 114.084 115.700 0.054 0.000 2.524 444 S HA 0.338 4.728 4.470 -0.133 0.000 0.222 444 S C 1.508 176.119 174.600 0.018 0.000 1.040 444 S CA 0.450 58.675 58.200 0.042 0.000 0.915 444 S CB 0.658 63.874 63.200 0.027 0.000 0.831 444 S HN 0.571 nan 8.310 nan 0.000 0.492 445 G N 1.439 110.246 108.800 0.011 0.000 2.159 445 G HA2 -0.226 3.654 3.960 -0.133 0.000 0.256 445 G HA3 -0.226 3.654 3.960 -0.133 0.000 0.256 445 G C 0.014 174.873 174.900 -0.068 0.000 0.977 445 G CA 0.111 45.199 45.100 -0.019 0.000 0.652 445 G HN 0.624 nan 8.290 nan 0.000 0.531 446 R N -0.531 119.922 120.500 -0.079 0.000 2.686 446 R HA 0.579 4.839 4.340 -0.133 0.000 0.283 446 R C -0.689 175.537 176.300 -0.123 0.000 0.978 446 R CA -0.920 55.116 56.100 -0.107 0.000 0.897 446 R CB 1.592 31.835 30.300 -0.095 0.000 1.192 446 R HN 0.161 nan 8.270 nan 0.000 0.457 447 Q N 1.939 121.639 119.800 -0.167 0.000 2.222 447 Q HA 0.208 4.468 4.340 -0.133 0.000 0.252 447 Q C -1.243 174.716 176.000 -0.069 0.000 0.926 447 Q CA -0.588 55.087 55.803 -0.213 0.000 0.899 447 Q CB 0.842 29.357 28.738 -0.371 0.000 1.250 447 Q HN 0.469 nan 8.270 nan 0.000 0.441 448 Y N 1.682 122.016 120.300 0.057 0.000 2.326 448 Y HA 0.637 5.107 4.550 -0.134 0.000 0.333 448 Y C -2.184 173.781 175.900 0.107 0.000 1.240 448 Y CA -2.728 55.446 58.100 0.123 0.000 1.365 448 Y CB -0.231 38.371 38.460 0.236 0.000 1.289 448 Y HN 0.474 nan 8.280 nan 0.000 0.548 449 P HA 0.079 nan 4.420 nan 0.000 0.276 449 P C -0.088 177.205 177.300 -0.013 0.000 1.243 449 P CA -0.117 62.949 63.100 -0.056 0.000 0.768 449 P CB 1.750 33.300 31.700 -0.250 0.000 0.856 450 E N 4.565 124.783 120.200 0.031 0.000 2.077 450 E HA -0.160 4.110 4.350 -0.133 0.000 0.193 450 E C 1.574 178.292 176.600 0.197 0.000 0.989 450 E CA 1.508 58.026 56.400 0.196 0.000 0.800 450 E CB -0.618 29.178 29.700 0.160 0.000 0.746 450 E HN 0.633 nan 8.360 nan 0.000 0.452 451 W N 0.069 121.475 121.300 0.176 0.000 2.363 451 W HA -0.036 4.544 4.660 -0.133 0.000 0.296 451 W C 1.708 178.367 176.519 0.233 0.000 1.212 451 W CA 1.100 58.542 57.345 0.162 0.000 1.260 451 W CB -0.929 28.599 29.460 0.114 0.000 1.131 451 W HN 0.161 nan 8.180 nan 0.000 0.530 452 A N 2.019 124.357 122.820 -0.803 0.000 1.929 452 A HA 0.100 4.340 4.320 -0.133 0.000 0.216 452 A C 2.400 180.046 177.584 0.102 0.000 1.176 452 A CA 1.952 53.628 52.037 -0.603 0.000 0.628 452 A CB -1.464 16.887 19.000 -1.081 0.000 0.816 452 A HN 0.372 nan 8.150 nan 0.000 0.444 453 G N 0.001 108.847 108.800 0.077 0.000 2.418 453 G HA2 -0.225 3.655 3.960 -0.133 0.000 0.217 453 G HA3 -0.225 3.655 3.960 -0.133 0.000 0.217 453 G C 1.673 176.515 174.900 -0.096 0.000 1.158 453 G CA 1.093 46.152 45.100 -0.067 0.000 0.771 453 G HN 0.561 nan 8.290 nan 0.000 0.545 454 K N -0.488 119.916 120.400 0.006 0.000 2.057 454 K HA 0.002 4.242 4.320 -0.133 0.000 0.207 454 K C 2.359 179.093 176.600 0.224 0.000 1.049 454 K CA 0.937 57.254 56.287 0.049 0.000 0.931 454 K CB -0.311 32.294 32.500 0.175 0.000 0.714 454 K HN 0.251 nan 8.250 nan 0.000 0.440 455 L N 1.128 122.527 121.223 0.294 0.000 2.046 455 L HA -0.214 4.046 4.340 -0.133 0.000 0.208 455 L C 2.327 179.333 176.870 0.228 0.000 1.077 455 L CA 1.856 56.857 54.840 0.268 0.000 0.747 455 L CB -0.749 41.432 42.059 0.205 0.000 0.896 455 L HN 0.308 nan 8.230 nan 0.000 0.432 456 H N -1.652 117.569 119.070 0.252 0.000 2.289 456 H HA -0.299 4.177 4.556 -0.133 0.000 0.296 456 H C 2.194 177.563 175.328 0.069 0.000 1.091 456 H CA 2.133 58.362 56.048 0.302 0.000 1.274 456 H CB -0.300 29.755 29.762 0.490 0.000 1.364 456 H HN 0.441 nan 8.280 nan 0.000 0.490 457 F N 0.531 120.185 119.950 -0.494 0.000 2.065 457 F HA -0.265 4.182 4.527 -0.134 0.000 0.298 457 F C 1.966 177.341 175.800 -0.708 0.000 1.112 457 F CA 2.052 59.308 58.000 -1.239 0.000 1.212 457 F CB -0.828 37.156 39.000 -1.694 0.000 0.975 457 F HN 0.207 nan 8.300 nan 0.000 0.476 458 W N 0.161 121.280 121.300 -0.301 0.000 2.388 458 W HA -0.154 4.426 4.660 -0.133 0.000 0.294 458 W C 2.531 178.974 176.519 -0.126 0.000 1.212 458 W CA 1.145 58.347 57.345 -0.238 0.000 1.271 458 W CB -0.441 28.996 29.460 -0.039 0.000 1.126 458 W HN 0.032 nan 8.180 nan 0.000 0.535 459 M N -0.943 118.736 119.600 0.133 0.000 2.086 459 M HA -0.249 4.151 4.480 -0.133 0.000 0.261 459 M C 2.272 178.640 176.300 0.114 0.000 1.067 459 M CA 1.681 57.057 55.300 0.126 0.000 1.116 459 M CB -0.667 32.008 32.600 0.124 0.000 1.348 459 M HN 0.019 nan 8.290 nan 0.000 0.407 460 M N 0.116 119.759 119.600 0.072 0.000 2.086 460 M HA -0.167 4.233 4.480 -0.133 0.000 0.261 460 M C 1.911 178.277 176.300 0.110 0.000 1.067 460 M CA 1.818 57.194 55.300 0.126 0.000 1.116 460 M CB -0.651 32.031 32.600 0.137 0.000 1.348 460 M HN 0.205 nan 8.290 nan 0.000 0.407 461 F N -0.420 119.377 119.950 -0.254 0.000 2.095 461 F HA -0.217 4.230 4.527 -0.134 0.000 0.298 461 F C 1.855 177.669 175.800 0.023 0.000 1.104 461 F CA 1.981 59.878 58.000 -0.172 0.000 1.232 461 F CB -0.350 38.247 39.000 -0.671 0.000 0.987 461 F HN 0.000 nan 8.300 nan 0.000 0.475 462 V N -0.024 119.979 119.914 0.148 0.000 2.323 462 V HA -0.175 3.865 4.120 -0.133 0.000 0.244 462 V C 2.697 178.795 176.094 0.006 0.000 1.041 462 V CA 1.870 64.230 62.300 0.099 0.000 1.025 462 V CB -1.479 30.451 31.823 0.178 0.000 0.656 462 V HN 0.528 nan 8.190 nan 0.000 0.451 463 G N -0.294 108.526 108.800 0.035 0.000 2.421 463 G HA2 -0.211 3.669 3.960 -0.133 0.000 0.216 463 G HA3 -0.211 3.669 3.960 -0.133 0.000 0.216 463 G C 1.744 176.606 174.900 -0.065 0.000 1.171 463 G CA 1.058 46.163 45.100 0.007 0.000 0.775 463 G HN 0.598 nan 8.290 nan 0.000 0.543 464 A N 0.826 123.635 122.820 -0.019 0.000 1.969 464 A HA -0.025 4.215 4.320 -0.133 0.000 0.218 464 A C 2.250 179.750 177.584 -0.141 0.000 1.169 464 A CA 1.581 53.596 52.037 -0.038 0.000 0.635 464 A CB -0.359 18.733 19.000 0.154 0.000 0.810 464 A HN 0.357 nan 8.150 nan 0.000 0.445 465 N N 0.065 118.658 118.700 -0.179 0.000 2.188 465 N HA -0.063 4.597 4.740 -0.133 0.000 0.184 465 N C 1.682 177.179 175.510 -0.022 0.000 1.018 465 N CA 1.162 54.148 53.050 -0.105 0.000 0.858 465 N CB -0.300 38.078 38.487 -0.182 0.000 0.989 465 N HN 0.475 nan 8.380 nan 0.000 0.426 466 L N 0.849 122.029 121.223 -0.072 0.000 2.141 466 L HA -0.122 4.138 4.340 -0.133 0.000 0.209 466 L C 2.191 178.963 176.870 -0.162 0.000 1.094 466 L CA 0.967 55.774 54.840 -0.054 0.000 0.763 466 L CB -0.504 41.526 42.059 -0.047 0.000 0.908 466 L HN 0.157 nan 8.230 nan 0.000 0.437 467 T N -0.584 113.757 114.554 -0.354 0.000 2.701 467 T HA -0.125 4.145 4.350 -0.133 0.000 0.263 467 T C 1.426 175.701 174.700 -0.708 0.000 1.040 467 T CA 1.527 63.212 62.100 -0.692 0.000 1.147 467 T CB -0.206 67.945 68.868 -1.196 0.000 0.865 467 T HN 0.123 nan 8.240 nan 0.000 0.426 468 F N -0.567 119.267 119.950 -0.194 0.000 2.505 468 F HA 0.378 4.825 4.527 -0.134 0.000 0.289 468 F C 1.804 177.533 175.800 -0.118 0.000 1.101 468 F CA -1.117 56.748 58.000 -0.226 0.000 1.446 468 F CB -0.784 37.991 39.000 -0.374 0.000 1.123 468 F HN 0.032 nan 8.300 nan 0.000 0.564 469 F N 2.364 122.378 119.950 0.107 0.000 2.095 469 F HA -0.114 4.333 4.527 -0.134 0.000 0.298 469 F C -0.775 174.777 175.800 -0.413 0.000 1.104 469 F CA 1.543 59.552 58.000 0.014 0.000 1.232 469 F CB -1.491 37.491 39.000 -0.031 0.000 0.987 469 F HN -0.121 nan 8.300 nan 0.000 0.475 470 P HA -0.161 nan 4.420 nan 0.000 0.228 470 P C 0.969 178.005 177.300 -0.440 0.000 1.151 470 P CA 1.400 64.188 63.100 -0.519 0.000 0.770 470 P CB -0.176 31.534 31.700 0.018 0.000 0.786 471 Q N -1.747 117.822 119.800 -0.385 0.000 2.297 471 Q HA -0.161 4.099 4.340 -0.133 0.000 0.204 471 Q C 1.719 177.497 176.000 -0.370 0.000 0.962 471 Q CA 1.022 56.652 55.803 -0.288 0.000 0.879 471 Q CB -0.589 28.069 28.738 -0.133 0.000 0.947 471 Q HN 0.516 nan 8.270 nan 0.000 0.462 472 H N -0.475 118.250 119.070 -0.577 0.000 2.319 472 H HA -0.158 4.319 4.556 -0.133 0.000 0.299 472 H C 1.524 176.768 175.328 -0.139 0.000 1.092 472 H CA 1.698 57.418 56.048 -0.547 0.000 1.302 472 H CB -0.056 29.131 29.762 -0.959 0.000 1.373 472 H HN 0.194 nan 8.280 nan 0.000 0.497 473 F N 0.361 120.250 119.950 -0.102 0.000 2.134 473 F HA -0.120 4.327 4.527 -0.133 0.000 0.299 473 F C 2.265 178.117 175.800 0.086 0.000 1.097 473 F CA 0.814 58.766 58.000 -0.079 0.000 1.264 473 F CB -1.098 37.642 39.000 -0.432 0.000 1.001 473 F HN 0.080 nan 8.300 nan 0.000 0.479 474 L N -0.235 121.118 121.223 0.216 0.000 2.042 474 L HA -0.155 4.105 4.340 -0.133 0.000 0.210 474 L C 2.786 179.753 176.870 0.162 0.000 1.076 474 L CA 1.556 56.485 54.840 0.147 0.000 0.749 474 L CB -1.461 40.509 42.059 -0.148 0.000 0.893 474 L HN 0.271 nan 8.230 nan 0.000 0.432 475 G N -0.392 108.531 108.800 0.204 0.000 2.418 475 G HA2 -0.225 3.655 3.960 -0.133 0.000 0.217 475 G HA3 -0.225 3.655 3.960 -0.133 0.000 0.217 475 G C 1.738 176.939 174.900 0.502 0.000 1.158 475 G CA 0.421 45.712 45.100 0.318 0.000 0.771 475 G HN 0.271 nan 8.290 nan 0.000 0.545 476 R N -0.294 120.520 120.500 0.524 0.000 2.120 476 R HA 0.002 4.262 4.340 -0.133 0.000 0.234 476 R C 2.478 179.068 176.300 0.484 0.000 1.123 476 R CA 1.027 57.439 56.100 0.520 0.000 0.975 476 R CB -0.088 30.436 30.300 0.374 0.000 0.866 476 R HN 0.265 nan 8.270 nan 0.000 0.446 477 Q N -0.596 119.474 119.800 0.451 0.000 2.444 477 Q HA 0.051 4.311 4.340 -0.133 0.000 0.206 477 Q C 0.730 177.043 176.000 0.522 0.000 0.948 477 Q CA 0.925 57.006 55.803 0.464 0.000 0.946 477 Q CB 1.138 30.180 28.738 0.506 0.000 1.027 477 Q HN 0.594 nan 8.270 nan 0.000 0.513 478 G N 1.511 110.553 108.800 0.404 0.000 2.130 478 G HA2 -0.263 3.617 3.960 -0.133 0.000 0.216 478 G HA3 -0.263 3.617 3.960 -0.133 0.000 0.216 478 G C 0.031 174.973 174.900 0.071 0.000 0.999 478 G CA 0.263 45.466 45.100 0.172 0.000 0.686 478 G HN 0.334 nan 8.290 nan 0.000 0.515 479 M N 1.512 121.004 119.600 -0.179 0.000 2.251 479 M HA 0.378 4.778 4.480 -0.133 0.000 0.346 479 M C -2.060 174.058 176.300 -0.304 0.000 1.499 479 M CA -1.486 53.406 55.300 -0.681 0.000 1.128 479 M CB 0.687 32.562 32.600 -1.209 0.000 1.809 479 M HN 0.017 nan 8.290 nan 0.000 0.464 480 P HA 0.226 nan 4.420 nan 0.000 0.276 480 P C -1.121 176.009 177.300 -0.283 0.000 1.244 480 P CA -0.271 62.557 63.100 -0.452 0.000 0.801 480 P CB 0.554 31.725 31.700 -0.882 0.000 1.006 481 R N 1.502 121.896 120.500 -0.177 0.000 2.694 481 R HA 0.232 4.492 4.340 -0.133 0.000 0.268 481 R C 0.478 176.869 176.300 0.150 0.000 1.061 481 R CA -0.079 55.969 56.100 -0.086 0.000 1.133 481 R CB -0.043 30.194 30.300 -0.104 0.000 1.020 481 R HN 0.450 nan 8.270 nan 0.000 0.475 482 R N -0.213 120.490 120.500 0.339 0.000 3.654 482 R HA -0.188 4.072 4.340 -0.133 0.000 0.302 482 R C -1.251 175.420 176.300 0.618 0.000 1.166 482 R CA 0.634 57.051 56.100 0.528 0.000 0.810 482 R CB -1.676 28.832 30.300 0.346 0.000 1.323 482 R HN 0.412 nan 8.270 nan 0.000 0.478 483 Y N -0.090 120.294 120.300 0.140 0.000 2.331 483 Y HA 0.275 4.745 4.550 -0.134 0.000 0.338 483 Y C 1.485 176.904 175.900 -0.801 0.000 0.992 483 Y CA -1.592 56.409 58.100 -0.165 0.000 1.121 483 Y CB 0.960 39.391 38.460 -0.048 0.000 1.184 483 Y HN 0.081 nan 8.280 nan 0.000 0.469 484 I N 1.116 121.173 120.570 -0.854 0.000 2.493 484 I HA -0.146 3.944 4.170 -0.133 0.000 0.254 484 I C -0.078 175.671 176.117 -0.614 0.000 1.160 484 I CA 1.592 62.238 61.300 -1.089 0.000 1.445 484 I CB 0.293 38.055 38.000 -0.397 0.000 1.086 484 I HN 0.573 nan 8.210 nan 0.000 0.433 485 D N -1.516 118.687 120.400 -0.328 0.000 2.602 485 D HA 0.366 4.926 4.640 -0.133 0.000 0.236 485 D C -1.618 174.679 176.300 -0.005 0.000 1.209 485 D CA -0.330 53.520 54.000 -0.251 0.000 0.831 485 D CB 1.548 42.200 40.800 -0.245 0.000 1.478 485 D HN 0.098 nan 8.370 nan 0.000 0.438 486 Y N -1.725 118.605 120.300 0.049 0.000 2.571 486 Y HA 0.698 5.168 4.550 -0.134 0.000 0.341 486 Y C -2.783 173.251 175.900 0.223 0.000 1.076 486 Y CA -2.399 55.813 58.100 0.187 0.000 1.029 486 Y CB 0.397 38.935 38.460 0.131 0.000 1.308 486 Y HN 0.078 nan 8.280 nan 0.000 0.461 487 P HA -0.015 nan 4.420 nan 0.000 0.264 487 P C 0.551 178.013 177.300 0.269 0.000 1.179 487 P CA 0.373 63.637 63.100 0.273 0.000 0.763 487 P CB 0.981 32.799 31.700 0.197 0.000 0.806 488 E N 3.522 123.780 120.200 0.096 0.000 2.171 488 E HA -0.248 4.022 4.350 -0.133 0.000 0.197 488 E C 1.801 178.441 176.600 0.066 0.000 0.997 488 E CA 1.902 58.349 56.400 0.077 0.000 0.810 488 E CB -0.697 29.006 29.700 0.004 0.000 0.738 488 E HN 0.485 nan 8.360 nan 0.000 0.467 489 A N -0.512 122.266 122.820 -0.069 0.000 2.076 489 A HA -0.119 4.121 4.320 -0.133 0.000 0.220 489 A C 1.457 178.951 177.584 -0.150 0.000 1.160 489 A CA 1.055 52.990 52.037 -0.170 0.000 0.653 489 A CB -0.700 18.119 19.000 -0.302 0.000 0.801 489 A HN 0.354 nan 8.150 nan 0.000 0.455 490 F N -0.556 119.465 119.950 0.119 0.000 2.797 490 F HA 0.290 4.737 4.527 -0.133 0.000 0.302 490 F C 2.262 178.045 175.800 -0.029 0.000 1.130 490 F CA -0.147 57.861 58.000 0.014 0.000 1.387 490 F CB -0.471 38.436 39.000 -0.155 0.000 1.107 490 F HN 0.246 nan 8.300 nan 0.000 0.577 491 A N -0.087 122.884 122.820 0.252 0.000 1.902 491 A HA -0.175 4.065 4.320 -0.133 0.000 0.217 491 A C 2.350 179.989 177.584 0.092 0.000 1.181 491 A CA 2.360 54.541 52.037 0.240 0.000 0.623 491 A CB -1.124 17.975 19.000 0.165 0.000 0.818 491 A HN 0.306 nan 8.150 nan 0.000 0.443 492 T N -1.235 113.285 114.554 -0.057 0.000 2.652 492 T HA -0.222 4.048 4.350 -0.133 0.000 0.267 492 T C 1.545 176.144 174.700 -0.168 0.000 1.039 492 T CA 1.704 63.653 62.100 -0.252 0.000 1.153 492 T CB -0.396 68.121 68.868 -0.585 0.000 0.863 492 T HN 0.754 nan 8.240 nan 0.000 0.428 493 W N 1.550 122.924 121.300 0.123 0.000 2.518 493 W HA 0.111 4.691 4.660 -0.134 0.000 0.273 493 W C 2.469 178.981 176.519 -0.011 0.000 1.247 493 W CA -0.500 56.912 57.345 0.113 0.000 1.288 493 W CB -0.261 29.315 29.460 0.194 0.000 1.107 493 W HN 0.180 nan 8.180 nan 0.000 0.586 494 N N 0.388 119.147 118.700 0.098 0.000 2.166 494 N HA -0.194 4.466 4.740 -0.133 0.000 0.186 494 N C 1.508 177.039 175.510 0.035 0.000 1.019 494 N CA 1.425 54.433 53.050 -0.071 0.000 0.856 494 N CB -0.746 37.573 38.487 -0.280 0.000 0.993 494 N HN 0.138 nan 8.380 nan 0.000 0.426 495 F N 1.919 121.857 119.950 -0.020 0.000 2.102 495 F HA -0.134 4.313 4.527 -0.133 0.000 0.298 495 F C 2.247 178.020 175.800 -0.045 0.000 1.105 495 F CA 0.934 58.922 58.000 -0.021 0.000 1.239 495 F CB -0.403 38.587 39.000 -0.017 0.000 0.991 495 F HN -0.247 nan 8.300 nan 0.000 0.474 496 V N -0.572 119.393 119.914 0.084 0.000 2.295 496 V HA -0.305 3.735 4.120 -0.133 0.000 0.246 496 V C 2.661 178.688 176.094 -0.112 0.000 1.049 496 V CA 2.030 64.350 62.300 0.033 0.000 1.024 496 V CB -1.140 30.875 31.823 0.319 0.000 0.648 496 V HN 0.524 nan 8.190 nan 0.000 0.447 497 S N -0.288 115.357 115.700 -0.093 0.000 2.370 497 S HA -0.232 4.158 4.470 -0.133 0.000 0.226 497 S C 2.206 176.550 174.600 -0.426 0.000 1.033 497 S CA 2.227 60.278 58.200 -0.249 0.000 1.011 497 S CB -0.340 62.722 63.200 -0.231 0.000 0.852 497 S HN 0.616 nan 8.310 nan 0.000 0.457 498 S N 1.417 116.832 115.700 -0.476 0.000 2.368 498 S HA 0.058 4.448 4.470 -0.133 0.000 0.225 498 S C 1.790 175.652 174.600 -1.231 0.000 1.030 498 S CA 1.316 59.028 58.200 -0.813 0.000 0.999 498 S CB -0.490 62.325 63.200 -0.642 0.000 0.844 498 S HN 0.483 nan 8.310 nan 0.000 0.459 499 L N 0.958 121.698 121.223 -0.806 0.000 2.046 499 L HA -0.095 4.165 4.340 -0.133 0.000 0.208 499 L C 2.775 179.438 176.870 -0.344 0.000 1.077 499 L CA 1.249 55.775 54.840 -0.524 0.000 0.747 499 L CB -1.198 40.645 42.059 -0.360 0.000 0.896 499 L HN 0.425 nan 8.230 nan 0.000 0.432 500 G N -0.326 108.277 108.800 -0.328 0.000 2.440 500 G HA2 -0.279 3.601 3.960 -0.133 0.000 0.218 500 G HA3 -0.279 3.601 3.960 -0.133 0.000 0.218 500 G C 1.759 176.506 174.900 -0.254 0.000 1.154 500 G CA 0.851 45.806 45.100 -0.241 0.000 0.767 500 G HN 0.479 nan 8.290 nan 0.000 0.552 501 A N 0.349 122.919 122.820 -0.416 0.000 1.933 501 A HA 0.143 4.383 4.320 -0.133 0.000 0.218 501 A C 2.129 179.708 177.584 -0.008 0.000 1.175 501 A CA 1.452 53.309 52.037 -0.301 0.000 0.628 501 A CB -0.448 18.303 19.000 -0.415 0.000 0.814 501 A HN 0.268 nan 8.150 nan 0.000 0.444 502 F N -0.652 119.290 119.950 -0.014 0.000 2.163 502 F HA -0.038 4.409 4.527 -0.134 0.000 0.297 502 F C 1.999 177.886 175.800 0.146 0.000 1.094 502 F CA 0.639 58.688 58.000 0.081 0.000 1.290 502 F CB -1.236 37.779 39.000 0.026 0.000 1.017 502 F HN 0.249 nan 8.300 nan 0.000 0.483 503 L N -0.067 121.297 121.223 0.235 0.000 2.046 503 L HA -0.174 4.085 4.340 -0.133 0.000 0.208 503 L C 2.332 179.324 176.870 0.205 0.000 1.077 503 L CA 1.770 56.718 54.840 0.179 0.000 0.747 503 L CB -1.138 40.981 42.059 0.100 0.000 0.896 503 L HN 0.002 nan 8.230 nan 0.000 0.432 504 S N -0.667 115.147 115.700 0.190 0.000 2.368 504 S HA -0.192 4.198 4.470 -0.133 0.000 0.225 504 S C 1.780 176.606 174.600 0.376 0.000 1.030 504 S CA 1.508 59.855 58.200 0.245 0.000 0.999 504 S CB -0.688 62.615 63.200 0.172 0.000 0.844 504 S HN 0.536 nan 8.310 nan 0.000 0.459 505 F N 2.759 122.844 119.950 0.225 0.000 2.102 505 F HA -0.073 4.373 4.527 -0.134 0.000 0.298 505 F C 2.407 178.392 175.800 0.308 0.000 1.105 505 F CA 0.768 58.935 58.000 0.278 0.000 1.239 505 F CB -1.095 38.054 39.000 0.248 0.000 0.991 505 F HN 0.170 nan 8.300 nan 0.000 0.474 506 A N -0.101 122.841 122.820 0.204 0.000 1.917 506 A HA -0.288 3.952 4.320 -0.133 0.000 0.219 506 A C 2.433 180.106 177.584 0.149 0.000 1.182 506 A CA 2.772 54.865 52.037 0.094 0.000 0.633 506 A CB -1.568 17.517 19.000 0.142 0.000 0.819 506 A HN 0.550 nan 8.150 nan 0.000 0.448 507 S N -1.677 114.167 115.700 0.241 0.000 2.399 507 S HA -0.149 4.241 4.470 -0.133 0.000 0.231 507 S C 1.817 176.636 174.600 0.366 0.000 1.022 507 S CA 1.471 59.872 58.200 0.336 0.000 0.983 507 S CB -0.607 62.819 63.200 0.377 0.000 0.803 507 S HN 0.508 nan 8.310 nan 0.000 0.480 508 F N 2.163 122.227 119.950 0.190 0.000 2.163 508 F HA 0.270 4.716 4.527 -0.135 0.000 0.297 508 F C 1.897 177.763 175.800 0.110 0.000 1.094 508 F CA 0.777 58.890 58.000 0.188 0.000 1.290 508 F CB -0.344 38.815 39.000 0.266 0.000 1.017 508 F HN 0.147 nan 8.300 nan 0.000 0.483 509 L N -1.148 120.033 121.223 -0.070 0.000 2.083 509 L HA -0.224 4.036 4.340 -0.133 0.000 0.209 509 L C 2.402 179.216 176.870 -0.093 0.000 1.083 509 L CA 1.388 56.119 54.840 -0.181 0.000 0.752 509 L CB -0.957 40.954 42.059 -0.248 0.000 0.899 509 L HN 0.184 nan 8.230 nan 0.000 0.433 510 F N 0.568 120.449 119.950 -0.116 0.000 2.102 510 F HA -0.308 4.139 4.527 -0.133 0.000 0.298 510 F C 2.387 178.086 175.800 -0.169 0.000 1.105 510 F CA 1.423 59.371 58.000 -0.086 0.000 1.239 510 F CB -0.458 38.542 39.000 0.001 0.000 0.991 510 F HN 0.011 nan 8.300 nan 0.000 0.474 511 F N 0.926 120.601 119.950 -0.457 0.000 2.091 511 F HA -0.254 4.192 4.527 -0.134 0.000 0.299 511 F C 1.924 177.413 175.800 -0.518 0.000 1.103 511 F CA 1.988 59.556 58.000 -0.719 0.000 1.228 511 F CB -0.811 37.564 39.000 -1.042 0.000 0.984 511 F HN -0.002 nan 8.300 nan 0.000 0.477 512 L N 0.038 120.871 121.223 -0.651 0.000 2.079 512 L HA -0.162 4.098 4.340 -0.133 0.000 0.210 512 L C 2.818 179.441 176.870 -0.412 0.000 1.081 512 L CA 1.293 55.776 54.840 -0.596 0.000 0.752 512 L CB -1.687 40.140 42.059 -0.387 0.000 0.896 512 L HN 0.401 nan 8.230 nan 0.000 0.433 513 G N -0.293 108.289 108.800 -0.362 0.000 2.421 513 G HA2 -0.197 3.683 3.960 -0.133 0.000 0.216 513 G HA3 -0.197 3.683 3.960 -0.133 0.000 0.216 513 G C 1.601 176.348 174.900 -0.255 0.000 1.171 513 G CA 0.878 45.830 45.100 -0.247 0.000 0.775 513 G HN 0.188 nan 8.290 nan 0.000 0.543 514 V N 1.571 121.172 119.914 -0.521 0.000 2.332 514 V HA -0.169 3.871 4.120 -0.133 0.000 0.248 514 V C 2.810 178.753 176.094 -0.253 0.000 1.055 514 V CA 1.208 63.255 62.300 -0.421 0.000 1.038 514 V CB -0.349 31.188 31.823 -0.478 0.000 0.651 514 V HN 0.281 nan 8.190 nan 0.000 0.450 515 I N -0.608 119.693 120.570 -0.449 0.000 2.179 515 I HA -0.220 3.870 4.170 -0.133 0.000 0.242 515 I C 2.332 178.381 176.117 -0.114 0.000 1.088 515 I CA 1.824 62.919 61.300 -0.342 0.000 1.357 515 I CB -1.201 36.476 38.000 -0.538 0.000 1.051 515 I HN 0.362 nan 8.210 nan 0.000 0.409 516 F N 1.281 121.111 119.950 -0.199 0.000 2.102 516 F HA -0.320 4.126 4.527 -0.135 0.000 0.298 516 F C 2.825 178.584 175.800 -0.068 0.000 1.105 516 F CA 1.706 59.636 58.000 -0.116 0.000 1.239 516 F CB -0.819 38.112 39.000 -0.114 0.000 0.991 516 F HN 0.064 nan 8.300 nan 0.000 0.474 517 Y N 1.065 121.323 120.300 -0.071 0.000 2.081 517 Y HA -0.307 4.163 4.550 -0.133 0.000 0.280 517 Y C 2.501 178.294 175.900 -0.178 0.000 1.163 517 Y CA 2.678 60.703 58.100 -0.125 0.000 1.135 517 Y CB -1.010 37.418 38.460 -0.053 0.000 0.970 517 Y HN 0.082 nan 8.280 nan 0.000 0.498 518 T N 1.333 115.897 114.554 0.016 0.000 2.684 518 T HA -0.212 4.058 4.350 -0.133 0.000 0.267 518 T C 1.933 176.524 174.700 -0.181 0.000 1.036 518 T CA 1.957 64.040 62.100 -0.028 0.000 1.148 518 T CB -0.537 68.367 68.868 0.058 0.000 0.863 518 T HN 0.344 nan 8.240 nan 0.000 0.436 519 L N 1.034 122.135 121.223 -0.203 0.000 2.240 519 L HA -0.025 4.235 4.340 -0.133 0.000 0.211 519 L C 2.900 179.595 176.870 -0.291 0.000 1.106 519 L CA 1.349 56.073 54.840 -0.193 0.000 0.793 519 L CB -0.778 41.209 42.059 -0.120 0.000 0.927 519 L HN 0.479 nan 8.230 nan 0.000 0.446 520 T N -2.416 111.859 114.554 -0.465 0.000 3.033 520 T HA -0.027 4.243 4.350 -0.133 0.000 0.248 520 T C 1.482 175.940 174.700 -0.404 0.000 1.040 520 T CA 0.137 61.948 62.100 -0.482 0.000 1.133 520 T CB 0.088 68.517 68.868 -0.731 0.000 0.895 520 T HN 0.449 nan 8.240 nan 0.000 0.465 521 R N 0.704 120.887 120.500 -0.529 0.000 2.534 521 R HA 0.427 4.687 4.340 -0.133 0.000 0.438 521 R C 0.715 176.680 176.300 -0.557 0.000 0.913 521 R CA -0.613 55.184 56.100 -0.505 0.000 1.130 521 R CB -0.158 29.845 30.300 -0.496 0.000 1.611 521 R HN 0.251 nan 8.270 nan 0.000 0.571 522 G N 1.209 109.744 108.800 -0.441 0.000 2.614 522 G HA2 0.372 4.252 3.960 -0.133 0.000 0.239 522 G HA3 0.372 4.252 3.960 -0.133 0.000 0.239 522 G C 0.153 174.983 174.900 -0.117 0.000 1.240 522 G CA -0.043 44.941 45.100 -0.194 0.000 0.842 522 G HN 0.423 nan 8.290 nan 0.000 0.584 523 A N 1.369 124.162 122.820 -0.045 0.000 2.546 523 A HA 0.291 4.531 4.320 -0.133 0.000 0.243 523 A C 1.107 178.633 177.584 -0.097 0.000 1.063 523 A CA -0.077 51.925 52.037 -0.059 0.000 0.757 523 A CB -0.010 18.961 19.000 -0.047 0.000 0.991 523 A HN 0.851 nan 8.150 nan 0.000 0.503 524 R N 2.513 122.964 120.500 -0.083 0.000 2.538 524 R HA 0.240 4.500 4.340 -0.133 0.000 0.282 524 R C -0.738 175.502 176.300 -0.100 0.000 1.009 524 R CA -0.067 55.983 56.100 -0.083 0.000 1.063 524 R CB 0.109 30.374 30.300 -0.059 0.000 0.945 524 R HN 0.463 nan 8.270 nan 0.000 0.414 525 V N 5.134 124.979 119.914 -0.115 0.000 2.461 525 V HA 0.086 4.126 4.120 -0.133 0.000 0.275 525 V C 1.227 177.294 176.094 -0.045 0.000 1.047 525 V CA 0.247 62.467 62.300 -0.133 0.000 0.955 525 V CB 1.308 33.018 31.823 -0.188 0.000 0.988 525 V HN 1.085 nan 8.190 nan 0.000 0.471 526 T N 1.035 115.578 114.554 -0.019 0.000 2.985 526 T HA 0.430 4.699 4.350 -0.133 0.000 0.254 526 T C 0.509 175.235 174.700 0.043 0.000 1.021 526 T CA 0.469 62.575 62.100 0.008 0.000 0.957 526 T CB 0.494 69.362 68.868 -0.001 0.000 1.047 526 T HN 0.730 nan 8.240 nan 0.000 0.511 527 A N 1.401 124.269 122.820 0.080 0.000 2.324 527 A HA 0.671 4.911 4.320 -0.133 0.000 0.330 527 A C 0.797 178.487 177.584 0.177 0.000 1.165 527 A CA -0.775 51.328 52.037 0.109 0.000 0.813 527 A CB 0.767 19.826 19.000 0.099 0.000 1.197 527 A HN 0.099 nan 8.150 nan 0.000 0.484 528 N N 1.031 119.816 118.700 0.143 0.000 2.061 528 N HA -0.132 4.528 4.740 -0.133 0.000 0.193 528 N C 0.240 175.908 175.510 0.263 0.000 1.030 528 N CA 1.631 54.787 53.050 0.177 0.000 0.856 528 N CB -0.083 38.484 38.487 0.132 0.000 1.023 528 N HN 0.691 nan 8.380 nan 0.000 0.424 529 N N 0.031 118.831 118.700 0.167 0.000 2.569 529 N HA 0.035 4.695 4.740 -0.133 0.000 0.254 529 N C -0.642 174.786 175.510 -0.137 0.000 1.004 529 N CA -0.436 52.631 53.050 0.028 0.000 0.904 529 N CB 0.241 38.743 38.487 0.027 0.000 1.165 529 N HN 0.198 nan 8.380 nan 0.000 0.513 530 Y N 0.973 121.157 120.300 -0.194 0.000 2.466 530 Y HA 0.412 4.881 4.550 -0.134 0.000 0.272 530 Y C 0.758 176.400 175.900 -0.431 0.000 1.169 530 Y CA -0.824 57.085 58.100 -0.319 0.000 1.285 530 Y CB -0.253 37.975 38.460 -0.386 0.000 1.078 530 Y HN 0.323 nan 8.280 nan 0.000 0.523 531 W N 2.161 123.207 121.300 -0.422 0.000 3.319 531 W HA 0.228 4.807 4.660 -0.134 0.000 0.280 531 W C 0.080 176.448 176.519 -0.252 0.000 1.574 531 W CA 0.222 57.356 57.345 -0.350 0.000 1.868 531 W CB -0.155 28.884 29.460 -0.700 0.000 1.455 531 W HN 0.071 nan 8.180 nan 0.000 0.499 532 N N -2.384 116.281 118.700 -0.057 0.000 2.927 532 N HA 0.274 4.934 4.740 -0.133 0.000 0.248 532 N C 0.061 175.503 175.510 -0.113 0.000 1.443 532 N CA 0.115 53.137 53.050 -0.046 0.000 0.870 532 N CB 0.473 38.974 38.487 0.023 0.000 1.444 532 N HN 0.070 nan 8.380 nan 0.000 0.519 533 E N -1.232 118.903 120.200 -0.108 0.000 2.331 533 E HA -0.187 4.083 4.350 -0.133 0.000 0.199 533 E C 0.764 177.197 176.600 -0.280 0.000 1.008 533 E CA 1.525 57.805 56.400 -0.201 0.000 0.843 533 E CB -1.170 28.376 29.700 -0.256 0.000 0.761 533 E HN 0.643 nan 8.360 nan 0.000 0.507 534 H N -0.869 118.136 119.070 -0.108 0.000 2.547 534 H HA 0.446 4.921 4.556 -0.134 0.000 0.266 534 H C 0.811 176.053 175.328 -0.144 0.000 0.988 534 H CA 0.518 56.502 56.048 -0.107 0.000 1.147 534 H CB 0.249 29.946 29.762 -0.109 0.000 1.365 534 H HN 0.460 nan 8.280 nan 0.000 0.589 535 A N 2.368 125.101 122.820 -0.146 0.000 2.666 535 A HA 0.097 4.337 4.320 -0.133 0.000 0.312 535 A C 0.128 177.711 177.584 -0.001 0.000 1.471 535 A CA -0.542 51.365 52.037 -0.216 0.000 1.134 535 A CB -0.337 18.156 19.000 -0.846 0.000 1.129 535 A HN 0.283 nan 8.150 nan 0.000 0.539 536 D N 1.197 121.680 120.400 0.138 0.000 2.538 536 D HA 0.085 4.645 4.640 -0.133 0.000 0.231 536 D C 0.439 176.868 176.300 0.215 0.000 1.229 536 D CA 0.247 54.330 54.000 0.138 0.000 0.828 536 D CB -0.387 40.435 40.800 0.038 0.000 1.035 536 D HN 0.364 nan 8.370 nan 0.000 0.495 537 T N -2.938 111.850 114.554 0.391 0.000 2.936 537 T HA 0.416 4.686 4.350 -0.133 0.000 0.282 537 T C 1.483 176.421 174.700 0.396 0.000 1.003 537 T CA -0.894 61.415 62.100 0.348 0.000 1.005 537 T CB 1.371 70.443 68.868 0.340 0.000 1.097 537 T HN -0.041 nan 8.240 nan 0.000 0.532 538 L N 0.842 122.283 121.223 0.363 0.000 2.191 538 L HA -0.080 4.180 4.340 -0.133 0.000 0.212 538 L C 3.023 180.090 176.870 0.327 0.000 1.103 538 L CA 1.345 56.408 54.840 0.372 0.000 0.769 538 L CB -0.581 41.730 42.059 0.419 0.000 0.908 538 L HN 0.850 nan 8.230 nan 0.000 0.438 539 E N 0.082 120.424 120.200 0.237 0.000 2.204 539 E HA -0.253 4.017 4.350 -0.133 0.000 0.195 539 E C 1.653 178.166 176.600 -0.145 0.000 0.990 539 E CA 1.280 57.669 56.400 -0.019 0.000 0.821 539 E CB -0.552 29.110 29.700 -0.063 0.000 0.750 539 E HN 0.617 nan 8.360 nan 0.000 0.477 540 W N 2.111 123.549 121.300 0.229 0.000 3.047 540 W HA 0.030 4.611 4.660 -0.132 0.000 0.250 540 W C 2.142 178.711 176.519 0.085 0.000 1.314 540 W CA 0.973 58.386 57.345 0.113 0.000 1.540 540 W CB 0.121 29.629 29.460 0.080 0.000 1.127 540 W HN 0.155 nan 8.180 nan 0.000 0.679 541 T N -2.085 112.623 114.554 0.257 0.000 3.081 541 T HA 0.184 4.454 4.350 -0.133 0.000 0.250 541 T C 0.636 175.394 174.700 0.097 0.000 1.100 541 T CA 0.148 62.352 62.100 0.173 0.000 1.038 541 T CB -0.296 68.681 68.868 0.181 0.000 0.962 541 T HN -0.112 nan 8.240 nan 0.000 0.516 542 L N 2.169 123.424 121.223 0.054 0.000 2.400 542 L HA 0.516 4.776 4.340 -0.133 0.000 0.264 542 L C 1.068 177.948 176.870 0.016 0.000 1.061 542 L CA -1.326 53.494 54.840 -0.033 0.000 0.799 542 L CB 0.738 42.706 42.059 -0.152 0.000 1.240 542 L HN 0.124 nan 8.230 nan 0.000 0.461 543 T N -2.043 112.504 114.554 -0.011 0.000 2.748 543 T HA 0.227 4.497 4.350 -0.133 0.000 0.304 543 T C 0.070 174.801 174.700 0.050 0.000 1.041 543 T CA -0.732 61.382 62.100 0.023 0.000 1.033 543 T CB 0.694 69.559 68.868 -0.005 0.000 0.995 543 T HN 0.505 nan 8.240 nan 0.000 0.536 544 S N 2.929 118.677 115.700 0.081 0.000 2.669 544 S HA 0.448 4.838 4.470 -0.133 0.000 0.315 544 S C -2.412 172.221 174.600 0.057 0.000 1.106 544 S CA -1.014 57.252 58.200 0.110 0.000 1.107 544 S CB 0.982 64.308 63.200 0.209 0.000 0.990 544 S HN 0.698 nan 8.310 nan 0.000 0.471 545 P HA 0.381 nan 4.420 nan 0.000 0.274 545 P C -2.904 174.393 177.300 -0.005 0.000 1.246 545 P CA -1.743 61.382 63.100 0.042 0.000 0.795 545 P CB -0.541 31.182 31.700 0.039 0.000 1.006 546 P HA 0.200 nan 4.420 nan 0.000 0.270 546 P C -2.228 174.988 177.300 -0.139 0.000 1.223 546 P CA -0.881 62.149 63.100 -0.116 0.000 0.785 546 P CB -1.252 30.333 31.700 -0.191 0.000 0.923 547 P HA 0.103 nan 4.420 nan 0.000 0.272 547 P C 1.105 178.300 177.300 -0.175 0.000 1.240 547 P CA 0.080 63.096 63.100 -0.141 0.000 0.791 547 P CB 0.034 31.657 31.700 -0.128 0.000 0.978 548 E N -0.149 119.956 120.200 -0.159 0.000 2.065 548 E HA -0.215 4.055 4.350 -0.133 0.000 0.201 548 E C 0.485 176.986 176.600 -0.164 0.000 1.016 548 E CA 1.792 58.086 56.400 -0.177 0.000 0.818 548 E CB -1.642 27.966 29.700 -0.153 0.000 0.749 548 E HN 0.651 nan 8.360 nan 0.000 0.453 549 H N -0.119 118.873 119.070 -0.130 0.000 2.640 549 H HA 0.530 5.006 4.556 -0.133 0.000 0.297 549 H C -0.285 174.967 175.328 -0.127 0.000 1.073 549 H CA -0.497 55.489 56.048 -0.104 0.000 1.305 549 H CB 0.850 30.568 29.762 -0.073 0.000 1.404 549 H HN 0.486 nan 8.280 nan 0.000 0.459 550 T N 3.083 117.550 114.554 -0.144 0.000 2.928 550 T HA 0.437 4.707 4.350 -0.133 0.000 0.284 550 T C -0.144 174.471 174.700 -0.142 0.000 1.008 550 T CA -0.503 61.426 62.100 -0.286 0.000 1.057 550 T CB 0.467 69.087 68.868 -0.414 0.000 1.018 550 T HN 0.582 nan 8.240 nan 0.000 0.493 551 F N 0.000 119.930 119.950 -0.033 0.000 2.286 551 F HA 0.000 4.447 4.527 -0.134 0.000 0.279 551 F CA 0.000 57.982 58.000 -0.030 0.000 1.383 551 F CB 0.000 38.978 39.000 -0.036 0.000 1.145 551 F HN 0.000 nan 8.300 nan 0.000 0.574