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 3dl7_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GEXAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SAT 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.613 176.600 0.022 0.000 1.382 1 E CA 0.000 56.417 56.400 0.029 0.000 0.976 1 E CB 0.000 29.717 29.700 0.028 0.000 0.812 2 G N 1.990 110.802 108.800 0.021 0.000 3.532 2 G HA2 -0.177 3.787 3.960 0.006 0.000 0.196 2 G HA3 -0.177 3.787 3.960 0.006 0.000 0.196 2 G C 0.657 175.568 174.900 0.017 0.000 2.074 2 G CA 0.198 45.308 45.100 0.017 0.000 1.323 2 G HN 0.375 nan 8.290 nan 0.000 0.439 3 R N 1.971 122.481 120.500 0.018 0.000 2.312 3 R HA 0.329 4.673 4.340 0.006 0.000 0.205 3 R C 1.166 177.478 176.300 0.021 0.000 0.904 3 R CA 0.913 57.023 56.100 0.017 0.000 1.052 3 R CB 0.138 30.446 30.300 0.013 0.000 1.014 3 R HN 0.753 nan 8.270 nan 0.000 0.503 4 E N -0.286 119.929 120.200 0.025 0.000 2.292 4 E HA 0.094 4.447 4.350 0.006 0.000 0.258 4 E C -0.757 175.867 176.600 0.040 0.000 1.115 4 E CA -0.819 55.600 56.400 0.031 0.000 0.929 4 E CB 0.456 30.176 29.700 0.033 0.000 1.161 4 E HN -0.182 nan 8.360 nan 0.000 0.453 5 D N 1.569 122.000 120.400 0.052 0.000 2.346 5 D HA 0.033 4.677 4.640 0.006 0.000 0.260 5 D C -1.315 175.023 176.300 0.064 0.000 1.252 5 D CA -2.281 51.763 54.000 0.072 0.000 0.895 5 D CB 0.979 41.845 40.800 0.111 0.000 1.097 5 D HN 0.173 nan 8.370 nan 0.000 0.489 6 P HA -0.178 nan 4.420 nan 0.000 0.220 6 P C 0.969 178.279 177.300 0.017 0.000 1.144 6 P CA 0.816 63.932 63.100 0.026 0.000 0.800 6 P CB 0.441 32.147 31.700 0.011 0.000 0.772 7 Q N -0.940 118.860 119.800 -0.001 0.000 2.451 7 Q HA 0.123 4.466 4.340 0.006 0.000 0.206 7 Q C 1.763 177.813 176.000 0.083 0.000 0.947 7 Q CA 0.545 56.316 55.803 -0.052 0.000 0.937 7 Q CB 0.037 28.578 28.738 -0.328 0.000 1.025 7 Q HN 0.415 nan 8.270 nan 0.000 0.511 8 L N -0.047 121.256 121.223 0.134 0.000 2.693 8 L HA 0.245 4.588 4.340 0.006 0.000 0.235 8 L C -0.002 177.058 176.870 0.316 0.000 1.127 8 L CA 0.022 54.985 54.840 0.205 0.000 0.914 8 L CB 0.484 42.593 42.059 0.083 0.000 1.193 8 L HN -0.039 nan 8.230 nan 0.000 0.502 9 L N 0.589 121.938 121.223 0.211 0.000 2.287 9 L HA 0.564 4.907 4.340 0.006 0.000 0.287 9 L C -0.651 176.269 176.870 0.083 0.000 1.022 9 L CA -0.445 54.497 54.840 0.169 0.000 0.814 9 L CB 1.923 44.039 42.059 0.095 0.000 1.217 9 L HN -0.261 nan 8.230 nan 0.000 0.420 10 V N 3.186 123.114 119.914 0.024 0.000 2.925 10 V HA 0.500 4.624 4.120 0.006 0.000 0.311 10 V C -0.473 175.524 176.094 -0.161 0.000 1.104 10 V CA -0.732 61.434 62.300 -0.222 0.000 0.954 10 V CB 2.880 34.306 31.823 -0.662 0.000 1.022 10 V HN 0.734 nan 8.190 nan 0.000 0.427 11 R N 2.363 122.739 120.500 -0.208 0.000 2.393 11 R HA 0.806 5.150 4.340 0.006 0.000 0.310 11 R C -0.829 175.356 176.300 -0.193 0.000 0.968 11 R CA -0.313 55.704 56.100 -0.139 0.000 0.867 11 R CB 1.743 31.968 30.300 -0.125 0.000 1.124 11 R HN 0.689 nan 8.270 nan 0.000 0.450 12 V N 1.788 121.648 119.914 -0.090 0.000 3.181 12 V HA 0.508 4.632 4.120 0.006 0.000 0.314 12 V C 1.075 177.083 176.094 -0.144 0.000 1.173 12 V CA -0.981 61.257 62.300 -0.102 0.000 1.052 12 V CB 1.665 33.559 31.823 0.118 0.000 1.123 12 V HN 0.861 nan 8.190 nan 0.000 0.454 13 R N 1.345 121.745 120.500 -0.167 0.000 2.139 13 R HA -0.004 4.339 4.340 0.006 0.000 0.243 13 R C 1.720 177.891 176.300 -0.214 0.000 1.145 13 R CA 2.449 58.452 56.100 -0.163 0.000 0.976 13 R CB -1.112 29.107 30.300 -0.134 0.000 0.866 13 R HN 1.038 nan 8.270 nan 0.000 0.449 14 G N -1.961 106.677 108.800 -0.270 0.000 2.880 14 G HA2 0.406 4.369 3.960 0.006 0.000 0.209 14 G HA3 0.406 4.369 3.960 0.006 0.000 0.209 14 G C 0.349 174.350 174.900 -1.498 0.000 1.157 14 G CA 0.286 44.993 45.100 -0.655 0.000 0.779 14 G HN 0.722 nan 8.290 nan 0.000 0.539 15 G N -1.057 107.105 108.800 -1.063 0.000 2.350 15 G HA2 0.207 4.170 3.960 0.006 0.000 0.276 15 G HA3 0.207 4.170 3.960 0.006 0.000 0.276 15 G C -1.473 173.323 174.900 -0.174 0.000 1.313 15 G CA -0.922 43.619 45.100 -0.932 0.000 0.903 15 G HN 0.227 nan 8.290 nan 0.000 0.490 16 Q N -0.282 119.603 119.800 0.143 0.000 2.241 16 Q HA 0.702 5.045 4.340 0.006 0.000 0.254 16 Q C -0.621 175.647 176.000 0.447 0.000 0.917 16 Q CA -0.346 55.610 55.803 0.255 0.000 0.919 16 Q CB 1.891 30.731 28.738 0.170 0.000 1.237 16 Q HN 0.431 nan 8.270 nan 0.000 0.434 17 L N 1.943 123.357 121.223 0.319 0.000 2.362 17 L HA 0.612 4.956 4.340 0.006 0.000 0.271 17 L C -0.440 176.627 176.870 0.328 0.000 1.002 17 L CA -0.742 54.308 54.840 0.350 0.000 0.818 17 L CB 2.081 44.380 42.059 0.399 0.000 1.298 17 L HN 0.419 nan 8.230 nan 0.000 0.420 18 R N 0.904 121.575 120.500 0.286 0.000 2.393 18 R HA 0.635 4.978 4.340 0.006 0.000 0.315 18 R C -0.234 176.160 176.300 0.157 0.000 0.952 18 R CA -0.307 55.931 56.100 0.229 0.000 0.842 18 R CB 1.733 32.102 30.300 0.115 0.000 1.163 18 R HN 0.831 nan 8.270 nan 0.000 0.450 19 G N 3.255 112.057 108.800 0.003 0.000 2.702 19 G HA2 0.488 4.451 3.960 0.006 0.000 0.254 19 G HA3 0.488 4.451 3.960 0.006 0.000 0.254 19 G C -1.000 173.687 174.900 -0.356 0.000 1.380 19 G CA -0.644 44.126 45.100 -0.550 0.000 1.042 19 G HN 0.568 nan 8.290 nan 0.000 0.557 20 I N -0.820 119.496 120.570 -0.424 0.000 2.686 20 I HA 0.489 4.663 4.170 0.006 0.000 0.295 20 I C -0.209 175.797 176.117 -0.185 0.000 1.114 20 I CA -1.081 60.077 61.300 -0.237 0.000 1.038 20 I CB 2.145 40.016 38.000 -0.216 0.000 1.238 20 I HN 0.405 nan 8.210 nan 0.000 0.420 21 R N 7.767 128.201 120.500 -0.110 0.000 2.248 21 R HA 0.488 4.832 4.340 0.006 0.000 0.328 21 R C -1.615 174.589 176.300 -0.160 0.000 1.067 21 R CA -0.279 55.736 56.100 -0.142 0.000 0.924 21 R CB 0.435 30.612 30.300 -0.203 0.000 1.013 21 R HN 0.627 nan 8.270 nan 0.000 0.454 22 L N 4.081 125.223 121.223 -0.135 0.000 2.331 22 L HA 0.440 4.783 4.340 0.006 0.000 0.275 22 L C -0.245 176.552 176.870 -0.122 0.000 1.022 22 L CA -1.157 53.621 54.840 -0.103 0.000 0.812 22 L CB 1.918 43.953 42.059 -0.040 0.000 1.257 22 L HN 0.451 nan 8.230 nan 0.000 0.435 23 K N 1.857 122.193 120.400 -0.108 0.000 2.258 23 K HA 0.549 4.872 4.320 0.006 0.000 0.284 23 K C -0.321 176.216 176.600 -0.105 0.000 1.051 23 K CA 0.005 56.233 56.287 -0.100 0.000 0.923 23 K CB 1.518 33.974 32.500 -0.073 0.000 1.046 23 K HN 0.620 nan 8.250 nan 0.000 0.474 24 A N 4.496 127.256 122.820 -0.099 0.000 2.288 24 A HA 0.525 4.848 4.320 0.006 0.000 0.328 24 A C -1.733 175.851 177.584 -0.000 0.000 1.123 24 A CA -1.622 50.355 52.037 -0.100 0.000 0.861 24 A CB 0.371 19.294 19.000 -0.128 0.000 1.272 24 A HN 0.532 nan 8.150 nan 0.000 0.490 25 P HA -0.131 nan 4.420 nan 0.000 0.216 25 P C 1.270 178.597 177.300 0.044 0.000 1.157 25 P CA 2.108 65.255 63.100 0.078 0.000 0.880 25 P CB 0.143 31.916 31.700 0.121 0.000 0.791 26 G N -2.146 106.683 108.800 0.048 0.000 3.181 26 G HA2 0.440 4.404 3.960 0.006 0.000 0.219 26 G HA3 0.440 4.404 3.960 0.006 0.000 0.219 26 G C 0.527 175.439 174.900 0.020 0.000 1.182 26 G CA 0.416 45.535 45.100 0.033 0.000 0.791 26 G HN 0.629 nan 8.290 nan 0.000 0.537 27 G N -0.368 108.434 108.800 0.003 0.000 2.334 27 G HA2 0.230 4.193 3.960 0.006 0.000 0.315 27 G HA3 0.230 4.193 3.960 0.006 0.000 0.315 27 G C -3.343 171.529 174.900 -0.047 0.000 1.284 27 G CA -0.611 44.480 45.100 -0.015 0.000 0.985 27 G HN 0.121 nan 8.290 nan 0.000 0.504 28 P HA 0.571 nan 4.420 nan 0.000 0.281 28 P C -0.060 177.196 177.300 -0.073 0.000 1.249 28 P CA -0.277 62.705 63.100 -0.196 0.000 0.810 28 P CB 1.691 33.092 31.700 -0.498 0.000 1.008 29 V N -1.534 118.351 119.914 -0.049 0.000 2.962 29 V HA 0.654 4.777 4.120 0.006 0.000 0.313 29 V C -0.342 175.856 176.094 0.174 0.000 1.099 29 V CA -0.872 61.503 62.300 0.125 0.000 0.971 29 V CB 1.756 33.657 31.823 0.130 0.000 1.028 29 V HN 0.437 nan 8.190 nan 0.000 0.430 30 S N 1.952 117.828 115.700 0.294 0.000 2.525 30 S HA 0.846 5.320 4.470 0.006 0.000 0.278 30 S C 0.058 174.675 174.600 0.028 0.000 1.234 30 S CA 0.057 58.367 58.200 0.183 0.000 1.058 30 S CB 1.219 64.600 63.200 0.301 0.000 0.983 30 S HN 1.596 nan 8.310 nan 0.000 0.495 31 A N 2.631 125.271 122.820 -0.300 0.000 2.374 31 A HA 0.795 5.119 4.320 0.006 0.000 0.305 31 A C -1.300 175.837 177.584 -0.746 0.000 1.053 31 A CA -0.640 51.106 52.037 -0.485 0.000 0.726 31 A CB 0.565 19.279 19.000 -0.478 0.000 1.229 31 A HN 0.671 nan 8.150 nan 0.000 0.431 32 F N 2.550 122.315 119.950 -0.309 0.000 2.434 32 F HA 0.513 5.043 4.527 0.006 0.000 0.355 32 F C -0.215 175.392 175.800 -0.321 0.000 1.115 32 F CA -0.311 57.583 58.000 -0.178 0.000 1.010 32 F CB 1.445 40.478 39.000 0.056 0.000 1.234 32 F HN 0.345 nan 8.300 nan 0.000 0.439 33 L N 2.264 123.346 121.223 -0.234 0.000 2.329 33 L HA 0.687 5.031 4.340 0.006 0.000 0.279 33 L C 0.828 177.597 176.870 -0.169 0.000 1.014 33 L CA -1.050 53.584 54.840 -0.343 0.000 0.814 33 L CB 1.834 43.495 42.059 -0.663 0.000 1.257 33 L HN 0.824 nan 8.230 nan 0.000 0.424 34 G N 3.192 111.952 108.800 -0.067 0.000 2.272 34 G HA2 -0.263 3.701 3.960 0.006 0.000 0.280 34 G HA3 -0.263 3.701 3.960 0.006 0.000 0.280 34 G C -0.087 174.868 174.900 0.091 0.000 1.067 34 G CA -0.270 44.817 45.100 -0.022 0.000 0.902 34 G HN 0.492 nan 8.290 nan 0.000 0.500 35 I N 2.092 122.712 120.570 0.084 0.000 2.517 35 I HA 0.207 4.380 4.170 0.006 0.000 0.285 35 I C -1.296 174.891 176.117 0.116 0.000 1.106 35 I CA -1.918 59.420 61.300 0.062 0.000 1.402 35 I CB 0.830 38.813 38.000 -0.028 0.000 1.399 35 I HN 0.009 nan 8.210 nan 0.000 0.535 36 P HA 0.041 nan 4.420 nan 0.000 0.276 36 P C -0.261 176.998 177.300 -0.069 0.000 1.235 36 P CA 0.035 63.005 63.100 -0.216 0.000 0.772 36 P CB 0.557 32.119 31.700 -0.230 0.000 0.871 37 F N 0.913 120.715 119.950 -0.247 0.000 2.746 37 F HA 0.721 5.252 4.527 0.006 0.000 0.320 37 F C 0.035 175.828 175.800 -0.011 0.000 1.097 37 F CA -0.660 57.269 58.000 -0.118 0.000 1.195 37 F CB 0.252 39.086 39.000 -0.278 0.000 1.056 37 F HN 0.326 nan 8.300 nan 0.000 0.562 38 A N 0.179 122.682 122.820 -0.529 0.000 2.556 38 A HA 0.595 4.918 4.320 0.006 0.000 0.294 38 A C -0.859 176.551 177.584 -0.290 0.000 1.091 38 A CA -0.756 51.066 52.037 -0.358 0.000 0.704 38 A CB 1.020 19.715 19.000 -0.508 0.000 1.300 38 A HN 0.058 nan 8.150 nan 0.000 0.406 39 E N 1.285 121.393 120.200 -0.154 0.000 2.414 39 E HA 0.217 4.570 4.350 0.006 0.000 0.263 39 E C -2.296 174.197 176.600 -0.179 0.000 1.000 39 E CA -1.362 54.964 56.400 -0.123 0.000 0.914 39 E CB 0.027 29.694 29.700 -0.056 0.000 0.948 39 E HN 0.223 nan 8.360 nan 0.000 0.444 40 P HA -0.031 nan 4.420 nan 0.000 0.256 40 P C -2.218 175.010 177.300 -0.120 0.000 1.173 40 P CA -0.588 62.419 63.100 -0.154 0.000 0.768 40 P CB -0.147 31.503 31.700 -0.083 0.000 0.758 41 P HA -0.006 nan 4.420 nan 0.000 0.225 41 P C -0.162 177.077 177.300 -0.101 0.000 1.768 41 P CA 0.173 63.209 63.100 -0.106 0.000 0.943 41 P CB -0.169 31.468 31.700 -0.105 0.000 1.936 42 V N -2.615 117.247 119.914 -0.085 0.000 3.096 42 V HA 0.898 5.022 4.120 0.006 0.000 0.319 42 V C 1.033 177.085 176.094 -0.070 0.000 1.103 42 V CA 0.110 62.361 62.300 -0.081 0.000 1.016 42 V CB 0.742 32.527 31.823 -0.062 0.000 1.090 42 V HN 0.539 nan 8.190 nan 0.000 0.449 43 G N 2.190 110.950 108.800 -0.067 0.000 2.596 43 G HA2 -0.352 3.612 3.960 0.006 0.000 0.304 43 G HA3 -0.352 3.612 3.960 0.006 0.000 0.304 43 G C 1.220 176.092 174.900 -0.047 0.000 1.189 43 G CA 1.749 46.821 45.100 -0.046 0.000 0.986 43 G HN 2.371 nan 8.290 nan 0.000 0.548 44 S N 0.651 116.335 115.700 -0.026 0.000 2.547 44 S HA 0.054 4.528 4.470 0.006 0.000 0.235 44 S C 1.840 176.429 174.600 -0.019 0.000 0.980 44 S CA 1.538 59.731 58.200 -0.012 0.000 0.941 44 S CB -0.059 63.141 63.200 0.001 0.000 0.763 44 S HN 0.681 nan 8.310 nan 0.000 0.532 45 R N 0.832 121.305 120.500 -0.045 0.000 2.312 45 R HA 0.225 4.569 4.340 0.006 0.000 0.205 45 R C 0.885 177.132 176.300 -0.088 0.000 0.904 45 R CA -0.210 55.862 56.100 -0.047 0.000 1.052 45 R CB -0.044 30.228 30.300 -0.047 0.000 1.014 45 R HN 0.435 nan 8.270 nan 0.000 0.503 46 R N 0.944 121.338 120.500 -0.175 0.000 2.570 46 R HA -0.111 4.233 4.340 0.006 0.000 0.277 46 R C -0.308 175.738 176.300 -0.423 0.000 1.039 46 R CA 0.576 56.428 56.100 -0.412 0.000 1.065 46 R CB 0.135 30.064 30.300 -0.618 0.000 0.964 46 R HN 0.082 nan 8.270 nan 0.000 0.428 47 F N -0.792 119.151 119.950 -0.012 0.000 2.619 47 F HA -0.310 4.221 4.527 0.006 0.000 0.425 47 F C 0.135 175.909 175.800 -0.043 0.000 0.575 47 F CA 0.718 58.686 58.000 -0.053 0.000 1.289 47 F CB -1.629 37.327 39.000 -0.072 0.000 1.859 47 F HN 0.469 nan 8.300 nan 0.000 0.280 48 M N 1.602 121.254 119.600 0.087 0.000 2.314 48 M HA 0.399 4.883 4.480 0.006 0.000 0.342 48 M C -2.002 174.314 176.300 0.026 0.000 1.171 48 M CA -1.457 53.877 55.300 0.056 0.000 1.098 48 M CB 0.766 33.387 32.600 0.036 0.000 1.559 48 M HN -0.363 nan 8.290 nan 0.000 0.459 49 P HA 0.042 nan 4.420 nan 0.000 0.266 49 P C -2.430 174.887 177.300 0.027 0.000 1.193 49 P CA -0.442 62.680 63.100 0.037 0.000 0.770 49 P CB -0.478 31.256 31.700 0.055 0.000 0.836 50 P HA 0.189 nan 4.420 nan 0.000 0.275 50 P C -0.753 176.566 177.300 0.030 0.000 1.228 50 P CA -0.042 63.065 63.100 0.012 0.000 0.786 50 P CB 0.951 32.669 31.700 0.029 0.000 0.927 51 E N 2.812 123.015 120.200 0.006 0.000 2.191 51 E HA 0.410 4.764 4.350 0.006 0.000 0.274 51 E C -2.336 174.283 176.600 0.030 0.000 0.948 51 E CA -2.380 54.036 56.400 0.026 0.000 0.802 51 E CB 0.419 30.128 29.700 0.016 0.000 1.137 51 E HN 0.337 nan 8.360 nan 0.000 0.397 52 P HA -0.093 nan 4.420 nan 0.000 0.266 52 P C -0.790 176.563 177.300 0.088 0.000 1.193 52 P CA -0.079 63.087 63.100 0.111 0.000 0.770 52 P CB 0.410 32.185 31.700 0.125 0.000 0.836 53 K N 3.639 124.111 120.400 0.121 0.000 2.412 53 K HA 0.058 4.381 4.320 0.006 0.000 0.284 53 K C -0.090 176.611 176.600 0.167 0.000 1.046 53 K CA 0.142 56.502 56.287 0.123 0.000 0.999 53 K CB 0.025 32.630 32.500 0.175 0.000 0.941 53 K HN 0.164 nan 8.250 nan 0.000 0.474 54 R N 5.271 125.848 120.500 0.129 0.000 2.570 54 R HA 0.121 4.465 4.340 0.006 0.000 0.277 54 R C -2.125 174.277 176.300 0.169 0.000 1.039 54 R CA -1.123 55.046 56.100 0.115 0.000 1.065 54 R CB -0.008 30.344 30.300 0.086 0.000 0.964 54 R HN 0.593 nan 8.270 nan 0.000 0.428 55 P HA -0.042 nan 4.420 nan 0.000 0.267 55 P C -1.186 176.147 177.300 0.056 0.000 1.201 55 P CA 0.147 63.198 63.100 -0.082 0.000 0.775 55 P CB 0.315 31.910 31.700 -0.175 0.000 0.854 56 W N 0.621 121.953 121.300 0.054 0.000 2.804 56 W HA 0.730 5.394 4.660 0.006 0.000 0.352 56 W C -0.874 175.670 176.519 0.042 0.000 1.153 56 W CA -0.904 56.470 57.345 0.048 0.000 1.119 56 W CB 0.106 29.603 29.460 0.061 0.000 1.448 56 W HN 0.370 nan 8.180 nan 0.000 0.600 57 S N 0.819 116.690 115.700 0.285 0.000 2.607 57 S HA 0.893 5.367 4.470 0.006 0.000 0.303 57 S C 0.193 174.951 174.600 0.264 0.000 1.086 57 S CA -0.156 58.140 58.200 0.160 0.000 0.995 57 S CB 1.100 64.354 63.200 0.089 0.000 1.084 57 S HN 2.207 nan 8.310 nan 0.000 0.507 58 G N -0.036 108.871 108.800 0.178 0.000 2.681 58 G HA2 -0.084 3.879 3.960 0.006 0.000 0.220 58 G HA3 -0.084 3.879 3.960 0.006 0.000 0.220 58 G C -0.911 174.144 174.900 0.259 0.000 1.353 58 G CA -0.436 44.770 45.100 0.176 0.000 0.872 58 G HN 1.627 nan 8.290 nan 0.000 0.557 59 V N 0.932 120.967 119.914 0.202 0.000 2.350 59 V HA 0.520 4.643 4.120 0.006 0.000 0.276 59 V C 0.953 177.156 176.094 0.181 0.000 1.028 59 V CA -0.279 62.154 62.300 0.222 0.000 0.860 59 V CB 1.132 33.042 31.823 0.145 0.000 0.990 59 V HN 0.824 nan 8.190 nan 0.000 0.453 60 L N 4.690 126.039 121.223 0.209 0.000 2.455 60 L HA 0.237 4.580 4.340 0.006 0.000 0.272 60 L C 0.641 177.515 176.870 0.006 0.000 1.174 60 L CA 0.273 55.078 54.840 -0.058 0.000 0.869 60 L CB 0.533 42.321 42.059 -0.452 0.000 1.130 60 L HN 0.701 nan 8.230 nan 0.000 0.474 61 D N 4.783 125.158 120.400 -0.041 0.000 2.317 61 D HA 0.203 4.846 4.640 0.006 0.000 0.252 61 D C -0.426 175.843 176.300 -0.051 0.000 1.174 61 D CA 0.007 53.991 54.000 -0.027 0.000 0.866 61 D CB 1.520 42.293 40.800 -0.044 0.000 1.127 61 D HN 0.669 nan 8.370 nan 0.000 0.467 62 A N 3.134 125.946 122.820 -0.012 0.000 2.985 62 A HA 0.201 4.524 4.320 0.006 0.000 0.303 62 A C 0.950 178.457 177.584 -0.128 0.000 1.048 62 A CA -0.405 51.619 52.037 -0.022 0.000 1.016 62 A CB -0.083 19.012 19.000 0.160 0.000 1.118 62 A HN 0.567 nan 8.150 nan 0.000 0.529 63 T N -3.277 111.181 114.554 -0.161 0.000 3.023 63 T HA 0.252 4.606 4.350 0.006 0.000 0.253 63 T C 0.754 175.297 174.700 -0.262 0.000 1.038 63 T CA 0.803 62.776 62.100 -0.212 0.000 0.962 63 T CB -0.141 68.638 68.868 -0.150 0.000 1.018 63 T HN 0.726 nan 8.240 nan 0.000 0.521 64 T N -0.398 114.003 114.554 -0.256 0.000 2.906 64 T HA 0.693 5.046 4.350 0.006 0.000 0.295 64 T C -0.733 173.802 174.700 -0.276 0.000 1.061 64 T CA -0.910 61.029 62.100 -0.268 0.000 1.000 64 T CB 1.088 69.866 68.868 -0.150 0.000 1.103 64 T HN -0.002 nan 8.240 nan 0.000 0.486 65 F N 2.056 121.939 119.950 -0.111 0.000 2.553 65 F HA 0.311 4.841 4.527 0.006 0.000 0.356 65 F C 1.448 177.144 175.800 -0.173 0.000 1.142 65 F CA -0.012 57.920 58.000 -0.114 0.000 1.322 65 F CB 0.433 39.396 39.000 -0.062 0.000 1.126 65 F HN 0.492 nan 8.300 nan 0.000 0.599 66 Q N 1.313 121.114 119.800 0.002 0.000 2.166 66 Q HA 0.243 4.587 4.340 0.006 0.000 0.226 66 Q C -0.263 175.644 176.000 -0.155 0.000 0.989 66 Q CA -0.893 54.749 55.803 -0.268 0.000 0.966 66 Q CB 0.721 28.987 28.738 -0.788 0.000 1.173 66 Q HN 0.528 nan 8.270 nan 0.000 0.509 67 N N -0.046 118.532 118.700 -0.204 0.000 2.292 67 N HA -0.038 4.706 4.740 0.006 0.000 0.242 67 N C -0.472 175.015 175.510 -0.039 0.000 1.243 67 N CA 0.269 53.262 53.050 -0.095 0.000 0.851 67 N CB 0.301 38.752 38.487 -0.059 0.000 1.093 67 N HN 0.180 nan 8.380 nan 0.000 0.450 68 V N 1.853 121.721 119.914 -0.077 0.000 2.546 68 V HA 0.077 4.201 4.120 0.006 0.000 0.284 68 V C 0.678 176.717 176.094 -0.093 0.000 1.050 68 V CA -0.865 61.379 62.300 -0.093 0.000 0.981 68 V CB 1.036 32.768 31.823 -0.151 0.000 0.990 68 V HN 0.723 nan 8.190 nan 0.000 0.474 69 c N 4.228 122.792 118.600 -0.061 0.000 2.634 69 c HA 0.087 4.660 4.570 0.006 0.000 0.417 69 c C 0.558 174.581 174.090 -0.113 0.000 1.334 69 c CA -0.615 55.676 56.329 -0.064 0.000 1.829 69 c CB -1.118 41.385 42.510 -0.011 0.000 2.665 69 c HN 0.740 nan 8.230 nan 0.000 0.614 70 Y N 3.619 123.748 120.300 -0.285 0.000 2.805 70 Y HA 0.171 4.724 4.550 0.006 0.000 0.331 70 Y C 0.901 176.772 175.900 -0.048 0.000 1.241 70 Y CA 1.165 59.087 58.100 -0.297 0.000 1.546 70 Y CB 0.149 38.182 38.460 -0.711 0.000 1.248 70 Y HN 0.745 nan 8.280 nan 0.000 0.559 71 Q N 3.840 123.679 119.800 0.066 0.000 2.633 71 Q HA 0.207 4.551 4.340 0.006 0.000 0.289 71 Q C -1.815 174.369 176.000 0.306 0.000 0.940 71 Q CA -1.236 54.737 55.803 0.282 0.000 0.785 71 Q CB 1.158 30.011 28.738 0.191 0.000 1.467 71 Q HN 0.645 nan 8.270 nan 0.000 0.401 72 Y N 1.259 121.770 120.300 0.351 0.000 2.620 72 Y HA 0.311 4.864 4.550 0.006 0.000 0.330 72 Y C -1.018 175.040 175.900 0.263 0.000 1.186 72 Y CA 0.329 58.641 58.100 0.354 0.000 1.467 72 Y CB 0.784 39.573 38.460 0.547 0.000 1.262 72 Y HN 0.435 nan 8.280 nan 0.000 0.550 73 V N 7.081 126.724 119.914 -0.451 0.000 2.384 73 V HA 0.102 4.226 4.120 0.006 0.000 0.287 73 V C -0.451 175.316 176.094 -0.545 0.000 1.020 73 V CA -0.995 61.103 62.300 -0.336 0.000 0.850 73 V CB 1.387 33.102 31.823 -0.179 0.000 0.987 73 V HN 0.753 nan 8.190 nan 0.000 0.436 74 D N 3.769 124.049 120.400 -0.201 0.000 2.401 74 D HA 0.125 4.768 4.640 0.006 0.000 0.254 74 D C 1.023 177.344 176.300 0.036 0.000 1.192 74 D CA 0.445 54.451 54.000 0.010 0.000 0.885 74 D CB 1.378 42.354 40.800 0.293 0.000 1.147 74 D HN 0.727 nan 8.370 nan 0.000 0.478 75 T N 1.052 115.619 114.554 0.021 0.000 3.111 75 T HA 0.031 4.385 4.350 0.006 0.000 0.284 75 T C 1.773 176.480 174.700 0.012 0.000 0.983 75 T CA -0.411 61.704 62.100 0.025 0.000 0.900 75 T CB -0.148 68.709 68.868 -0.019 0.000 1.132 75 T HN 0.234 nan 8.240 nan 0.000 0.531 76 L N 1.018 122.243 121.223 0.003 0.000 2.034 76 L HA -0.071 4.273 4.340 0.006 0.000 0.217 76 L C -0.127 176.481 176.870 -0.438 0.000 1.077 76 L CA 1.823 56.509 54.840 -0.257 0.000 0.769 76 L CB -0.445 41.403 42.059 -0.352 0.000 0.890 76 L HN 0.490 nan 8.230 nan 0.000 0.435 77 Y N -0.984 119.361 120.300 0.074 0.000 2.787 77 Y HA 0.403 4.957 4.550 0.006 0.000 0.352 77 Y C -2.120 173.831 175.900 0.085 0.000 1.027 77 Y CA -3.274 54.844 58.100 0.031 0.000 1.219 77 Y CB -0.148 38.294 38.460 -0.031 0.000 1.110 77 Y HN 0.002 nan 8.280 nan 0.000 0.614 78 P HA -0.004 nan 4.420 nan 0.000 0.261 78 P C 1.103 178.468 177.300 0.109 0.000 1.173 78 P CA 1.869 65.027 63.100 0.097 0.000 0.760 78 P CB 0.688 32.416 31.700 0.046 0.000 0.783 79 G N 2.280 111.126 108.800 0.077 0.000 2.220 79 G HA2 -0.310 3.654 3.960 0.006 0.000 0.269 79 G HA3 -0.310 3.654 3.960 0.006 0.000 0.269 79 G C 0.048 174.991 174.900 0.072 0.000 0.977 79 G CA -0.223 44.905 45.100 0.048 0.000 0.634 79 G HN 0.548 nan 8.290 nan 0.000 0.539 80 F N 2.062 121.971 119.950 -0.068 0.000 2.444 80 F HA 0.600 5.130 4.527 0.006 0.000 0.360 80 F C 1.325 177.024 175.800 -0.167 0.000 1.106 80 F CA -0.720 57.185 58.000 -0.158 0.000 1.170 80 F CB 1.316 40.195 39.000 -0.201 0.000 1.113 80 F HN 0.143 nan 8.300 nan 0.000 0.521 81 E N 3.973 123.765 120.200 -0.680 0.000 2.153 81 E HA -0.065 4.289 4.350 0.006 0.000 0.194 81 E C 2.239 178.364 176.600 -0.791 0.000 0.988 81 E CA 1.699 57.732 56.400 -0.613 0.000 0.811 81 E CB -0.446 28.972 29.700 -0.471 0.000 0.746 81 E HN 0.885 nan 8.360 nan 0.000 0.466 82 G N -0.646 107.158 108.800 -1.661 0.000 2.475 82 G HA2 -0.323 3.641 3.960 0.006 0.000 0.220 82 G HA3 -0.323 3.641 3.960 0.006 0.000 0.220 82 G C 1.688 176.575 174.900 -0.022 0.000 1.125 82 G CA 1.733 46.138 45.100 -1.159 0.000 0.755 82 G HN 0.498 nan 8.290 nan 0.000 0.565 83 T N -2.538 111.982 114.554 -0.057 0.000 3.034 83 T HA 0.167 4.521 4.350 0.006 0.000 0.248 83 T C 1.914 176.760 174.700 0.244 0.000 1.040 83 T CA 0.723 63.093 62.100 0.450 0.000 1.107 83 T CB 0.162 69.401 68.868 0.619 0.000 0.932 83 T HN 0.088 nan 8.240 nan 0.000 0.474 84 E N 2.403 122.607 120.200 0.006 0.000 2.106 84 E HA -0.074 4.280 4.350 0.006 0.000 0.192 84 E C 2.276 178.790 176.600 -0.143 0.000 0.984 84 E CA 1.409 57.781 56.400 -0.048 0.000 0.806 84 E CB -0.569 29.070 29.700 -0.101 0.000 0.750 84 E HN 0.797 nan 8.360 nan 0.000 0.458 85 M N -1.864 117.555 119.600 -0.303 0.000 2.346 85 M HA -0.119 4.365 4.480 0.006 0.000 0.263 85 M C 1.277 177.203 176.300 -0.624 0.000 1.064 85 M CA 1.561 56.537 55.300 -0.539 0.000 1.083 85 M CB -0.592 31.563 32.600 -0.742 0.000 1.399 85 M HN 0.022 nan 8.290 nan 0.000 0.435 86 W N 1.076 122.325 121.300 -0.086 0.000 3.278 86 W HA 0.284 4.947 4.660 0.005 0.000 0.308 86 W C 0.220 176.676 176.519 -0.104 0.000 1.253 86 W CA -1.023 56.259 57.345 -0.106 0.000 1.759 86 W CB -0.164 29.284 29.460 -0.020 0.000 1.093 86 W HN 0.122 nan 8.180 nan 0.000 0.648 87 N N 1.513 120.252 118.700 0.065 0.000 2.513 87 N HA 0.174 4.918 4.740 0.006 0.000 0.274 87 N C -2.410 173.058 175.510 -0.070 0.000 1.189 87 N CA -1.752 51.308 53.050 0.016 0.000 0.975 87 N CB 0.062 38.554 38.487 0.010 0.000 1.157 87 N HN -0.342 nan 8.380 nan 0.000 0.465 88 P HA 0.016 nan 4.420 nan 0.000 0.264 88 P C 0.224 177.445 177.300 -0.132 0.000 1.183 88 P CA 0.167 63.187 63.100 -0.133 0.000 0.763 88 P CB 0.321 31.936 31.700 -0.141 0.000 0.807 89 N N 2.095 120.704 118.700 -0.153 0.000 2.200 89 N HA 0.081 4.825 4.740 0.006 0.000 0.224 89 N C 0.181 175.625 175.510 -0.109 0.000 1.179 89 N CA 0.009 52.978 53.050 -0.135 0.000 0.877 89 N CB 0.485 38.873 38.487 -0.164 0.000 1.072 89 N HN 0.161 nan 8.380 nan 0.000 0.519 90 R N 0.212 120.643 120.500 -0.114 0.000 2.869 90 R HA 0.278 4.621 4.340 0.006 0.000 0.263 90 R C -0.641 175.595 176.300 -0.106 0.000 1.066 90 R CA -0.698 55.349 56.100 -0.090 0.000 0.960 90 R CB 1.010 31.266 30.300 -0.072 0.000 1.221 90 R HN 0.240 nan 8.270 nan 0.000 0.474 91 E N 1.493 121.637 120.200 -0.095 0.000 2.529 91 E HA -0.041 4.313 4.350 0.006 0.000 0.259 91 E C -0.415 176.100 176.600 -0.142 0.000 0.966 91 E CA 0.108 56.446 56.400 -0.104 0.000 0.937 91 E CB 0.477 30.130 29.700 -0.078 0.000 0.923 91 E HN 0.246 nan 8.360 nan 0.000 0.468 92 L N 3.785 124.881 121.223 -0.211 0.000 2.367 92 L HA 0.190 4.533 4.340 0.006 0.000 0.275 92 L C 0.317 177.062 176.870 -0.208 0.000 1.129 92 L CA 0.118 54.745 54.840 -0.355 0.000 0.839 92 L CB 0.927 42.541 42.059 -0.743 0.000 1.133 92 L HN 0.445 nan 8.230 nan 0.000 0.453 93 S N 1.542 117.188 115.700 -0.089 0.000 2.543 93 S HA 0.177 4.651 4.470 0.006 0.000 0.274 93 S C 0.218 174.833 174.600 0.026 0.000 1.149 93 S CA -0.695 57.547 58.200 0.070 0.000 0.866 93 S CB 1.640 64.852 63.200 0.020 0.000 1.111 93 S HN 0.743 nan 8.310 nan 0.000 0.457 94 E N 0.927 121.116 120.200 -0.019 0.000 2.274 94 E HA -0.061 4.293 4.350 0.006 0.000 0.194 94 E C -0.278 176.275 176.600 -0.079 0.000 0.996 94 E CA 0.539 56.849 56.400 -0.150 0.000 0.840 94 E CB 0.133 29.710 29.700 -0.205 0.000 0.772 94 E HN 0.553 nan 8.360 nan 0.000 0.491 95 D N 0.129 120.519 120.400 -0.017 0.000 2.517 95 D HA -0.006 4.638 4.640 0.006 0.000 0.220 95 D C 0.049 176.445 176.300 0.159 0.000 1.158 95 D CA -0.256 53.764 54.000 0.033 0.000 0.992 95 D CB -0.074 40.760 40.800 0.058 0.000 1.058 95 D HN 0.137 nan 8.370 nan 0.000 0.516 96 c N 2.085 120.744 118.600 0.099 0.000 3.911 96 c HA 0.389 4.963 4.570 0.006 0.000 0.318 96 c C 0.706 174.899 174.090 0.172 0.000 1.643 96 c CA -0.667 55.795 56.329 0.221 0.000 1.845 96 c CB -1.219 41.342 42.510 0.085 0.000 2.981 96 c HN 0.402 nan 8.230 nan 0.000 0.656 97 L N 2.638 123.698 121.223 -0.271 0.000 2.448 97 L HA 0.381 4.725 4.340 0.006 0.000 0.278 97 L C -0.971 175.341 176.870 -0.930 0.000 1.201 97 L CA 0.661 55.136 54.840 -0.608 0.000 1.036 97 L CB -0.659 40.882 42.059 -0.863 0.000 1.325 97 L HN 0.400 nan 8.230 nan 0.000 0.441 98 Y N 2.277 122.631 120.300 0.090 0.000 2.562 98 Y HA 0.618 5.171 4.550 0.006 0.000 0.345 98 Y C -0.143 175.967 175.900 0.351 0.000 1.045 98 Y CA -1.183 57.030 58.100 0.189 0.000 1.028 98 Y CB 2.015 40.508 38.460 0.055 0.000 1.297 98 Y HN 0.232 nan 8.280 nan 0.000 0.463 99 L N -0.301 121.097 121.223 0.292 0.000 2.277 99 L HA 0.796 5.140 4.340 0.006 0.000 0.254 99 L C -1.338 175.515 176.870 -0.029 0.000 1.044 99 L CA -1.176 53.690 54.840 0.043 0.000 0.842 99 L CB 1.746 43.619 42.059 -0.310 0.000 1.422 99 L HN 0.489 nan 8.230 nan 0.000 0.422 100 N N -0.228 118.441 118.700 -0.051 0.000 2.225 100 N HA 0.714 5.457 4.740 0.006 0.000 0.298 100 N C -1.577 173.800 175.510 -0.222 0.000 1.076 100 N CA -0.387 52.553 53.050 -0.183 0.000 0.792 100 N CB 2.910 41.300 38.487 -0.161 0.000 1.498 100 N HN 0.494 nan 8.380 nan 0.000 0.474 101 V N 1.410 121.121 119.914 -0.338 0.000 2.588 101 V HA 0.506 4.629 4.120 0.006 0.000 0.304 101 V C -0.854 175.116 176.094 -0.206 0.000 1.042 101 V CA -0.730 61.449 62.300 -0.202 0.000 0.877 101 V CB 2.404 33.978 31.823 -0.415 0.000 0.996 101 V HN 0.556 nan 8.190 nan 0.000 0.425 102 W N 2.794 124.168 121.300 0.124 0.000 2.656 102 W HA 0.675 5.340 4.660 0.007 0.000 0.327 102 W C 0.007 176.619 176.519 0.154 0.000 1.041 102 W CA -0.448 56.978 57.345 0.136 0.000 1.229 102 W CB 2.477 32.003 29.460 0.110 0.000 1.397 102 W HN 0.664 nan 8.180 nan 0.000 0.479 103 T N 0.261 115.055 114.554 0.399 0.000 2.896 103 T HA 0.531 4.884 4.350 0.006 0.000 0.297 103 T C -2.782 172.088 174.700 0.282 0.000 1.108 103 T CA -2.425 59.868 62.100 0.321 0.000 1.004 103 T CB 2.380 71.459 68.868 0.352 0.000 1.159 103 T HN -0.105 nan 8.240 nan 0.000 0.499 104 P HA 0.144 nan 4.420 nan 0.000 0.270 104 P C -1.513 175.934 177.300 0.246 0.000 1.216 104 P CA -0.030 63.188 63.100 0.198 0.000 0.788 104 P CB 0.099 31.886 31.700 0.144 0.000 0.883 105 Y N 1.672 122.026 120.300 0.090 0.000 2.354 105 Y HA 0.405 4.959 4.550 0.006 0.000 0.330 105 Y C -2.335 173.600 175.900 0.059 0.000 1.011 105 Y CA -2.457 55.691 58.100 0.080 0.000 1.099 105 Y CB 1.342 39.839 38.460 0.062 0.000 1.179 105 Y HN 0.326 nan 8.280 nan 0.000 0.442 106 P HA 0.214 nan 4.420 nan 0.000 0.273 106 P C -0.821 176.433 177.300 -0.076 0.000 1.250 106 P CA -0.325 62.576 63.100 -0.332 0.000 0.793 106 P CB 1.103 32.661 31.700 -0.236 0.000 1.011 107 R N 0.641 121.105 120.500 -0.061 0.000 2.734 107 R HA 0.166 4.509 4.340 0.006 0.000 0.266 107 R C -1.819 174.508 176.300 0.045 0.000 1.044 107 R CA -1.036 55.095 56.100 0.052 0.000 1.128 107 R CB -0.918 29.426 30.300 0.073 0.000 1.010 107 R HN 0.432 nan 8.270 nan 0.000 0.461 108 P HA -0.058 nan 4.420 nan 0.000 0.266 108 P C -0.188 177.132 177.300 0.034 0.000 1.195 108 P CA 0.293 63.427 63.100 0.056 0.000 0.768 108 P CB 0.733 32.476 31.700 0.071 0.000 0.838 109 A N 2.656 125.490 122.820 0.023 0.000 1.872 109 A HA -0.010 4.313 4.320 0.006 0.000 0.214 109 A C 0.971 178.561 177.584 0.010 0.000 1.187 109 A CA 1.512 53.556 52.037 0.011 0.000 0.614 109 A CB -0.896 18.109 19.000 0.008 0.000 0.826 109 A HN 0.642 nan 8.150 nan 0.000 0.442 110 S N -0.642 115.067 115.700 0.014 0.000 2.638 110 S HA 0.592 5.066 4.470 0.006 0.000 0.298 110 S C -3.027 171.585 174.600 0.020 0.000 1.111 110 S CA -1.874 56.333 58.200 0.011 0.000 1.027 110 S CB 0.844 64.049 63.200 0.007 0.000 1.064 110 S HN 0.041 nan 8.310 nan 0.000 0.525 111 P HA 0.099 nan 4.420 nan 0.000 0.258 111 P C -0.600 176.717 177.300 0.028 0.000 1.172 111 P CA 0.510 63.624 63.100 0.023 0.000 0.762 111 P CB -0.153 31.552 31.700 0.008 0.000 0.764 112 T N 5.857 120.441 114.554 0.049 0.000 2.829 112 T HA 0.382 4.735 4.350 0.006 0.000 0.282 112 T C -2.365 172.368 174.700 0.055 0.000 0.990 112 T CA -1.932 60.199 62.100 0.052 0.000 1.028 112 T CB 0.723 69.635 68.868 0.073 0.000 0.951 112 T HN 0.133 nan 8.240 nan 0.000 0.460 113 P HA 0.107 nan 4.420 nan 0.000 0.264 113 P C -0.863 176.481 177.300 0.073 0.000 1.183 113 P CA -0.138 62.986 63.100 0.039 0.000 0.763 113 P CB 0.350 32.056 31.700 0.009 0.000 0.807 114 V N 5.424 125.398 119.914 0.099 0.000 2.398 114 V HA 0.301 4.424 4.120 0.006 0.000 0.286 114 V C 0.316 176.497 176.094 0.144 0.000 1.026 114 V CA -0.462 61.919 62.300 0.136 0.000 0.868 114 V CB 1.186 33.104 31.823 0.158 0.000 0.982 114 V HN 0.359 nan 8.190 nan 0.000 0.443 115 L N 6.019 127.339 121.223 0.161 0.000 2.296 115 L HA 0.585 4.929 4.340 0.006 0.000 0.286 115 L C -0.551 176.547 176.870 0.381 0.000 1.023 115 L CA -0.285 54.670 54.840 0.193 0.000 0.812 115 L CB 1.567 43.630 42.059 0.008 0.000 1.223 115 L HN 0.492 nan 8.230 nan 0.000 0.421 116 I N 3.019 123.845 120.570 0.427 0.000 2.339 116 I HA 0.196 4.369 4.170 0.006 0.000 0.290 116 I C -0.503 175.921 176.117 0.511 0.000 0.994 116 I CA -0.409 61.131 61.300 0.400 0.000 1.191 116 I CB 1.317 39.426 38.000 0.183 0.000 1.343 116 I HN 0.642 nan 8.210 nan 0.000 0.458 117 W N 8.466 129.894 121.300 0.212 0.000 2.316 117 W HA 0.525 5.188 4.660 0.005 0.000 0.311 117 W C -1.395 175.023 176.519 -0.168 0.000 1.217 117 W CA -0.608 56.620 57.345 -0.194 0.000 1.199 117 W CB 1.072 30.444 29.460 -0.145 0.000 1.202 117 W HN 0.360 nan 8.180 nan 0.000 0.528 118 I N 9.137 129.119 120.570 -0.979 0.000 2.382 118 I HA 0.068 4.242 4.170 0.006 0.000 0.285 118 I C -0.234 175.020 176.117 -1.440 0.000 1.007 118 I CA -1.147 59.580 61.300 -0.955 0.000 1.142 118 I CB 0.612 38.226 38.000 -0.643 0.000 1.289 118 I HN 0.304 nan 8.210 nan 0.000 0.453 119 Y N 4.556 124.274 120.300 -0.970 0.000 2.550 119 Y HA 0.593 5.147 4.550 0.006 0.000 0.343 119 Y C 0.808 176.459 175.900 -0.414 0.000 1.245 119 Y CA -0.761 56.900 58.100 -0.732 0.000 1.462 119 Y CB -0.078 38.191 38.460 -0.318 0.000 1.340 119 Y HN 0.550 nan 8.280 nan 0.000 0.604 120 G N -0.329 108.396 108.800 -0.126 0.000 2.510 120 G HA2 0.475 4.438 3.960 0.006 0.000 0.280 120 G HA3 0.475 4.438 3.960 0.006 0.000 0.280 120 G C 0.387 175.164 174.900 -0.206 0.000 1.386 120 G CA -0.849 44.106 45.100 -0.240 0.000 1.047 120 G HN 1.760 nan 8.290 nan 0.000 0.527 121 G N -2.986 105.501 108.800 -0.522 0.000 2.207 121 G HA2 0.401 4.364 3.960 0.006 0.000 0.193 121 G HA3 0.401 4.364 3.960 0.006 0.000 0.193 121 G C 1.065 175.305 174.900 -1.100 0.000 1.050 121 G CA 0.718 45.400 45.100 -0.698 0.000 0.780 121 G HN 2.337 nan 8.290 nan 0.000 0.504 122 G N -0.528 107.625 108.800 -1.079 0.000 2.180 122 G HA2 -0.146 3.817 3.960 0.006 0.000 0.263 122 G HA3 -0.146 3.817 3.960 0.006 0.000 0.263 122 G C 0.945 175.453 174.900 -0.654 0.000 0.989 122 G CA 0.914 45.220 45.100 -1.325 0.000 0.692 122 G HN 1.774 nan 8.290 nan 0.000 0.526 123 F N -3.538 116.196 119.950 -0.360 0.000 2.748 123 F HA -0.319 4.211 4.527 0.006 0.000 0.370 123 F C 1.494 177.343 175.800 0.081 0.000 0.620 123 F CA 2.108 60.050 58.000 -0.097 0.000 1.233 123 F CB -2.102 36.709 39.000 -0.316 0.000 1.708 123 F HN 0.831 nan 8.300 nan 0.000 0.298 124 Y N -0.951 119.429 120.300 0.134 0.000 2.445 124 Y HA 0.665 5.219 4.550 0.006 0.000 0.247 124 Y C 0.688 176.719 175.900 0.219 0.000 1.129 124 Y CA 0.255 58.483 58.100 0.213 0.000 1.251 124 Y CB -0.009 38.574 38.460 0.204 0.000 1.176 124 Y HN 0.087 nan 8.280 nan 0.000 0.522 125 S N -0.971 114.546 115.700 -0.305 0.000 2.672 125 S HA 0.898 5.372 4.470 0.006 0.000 0.271 125 S C -0.226 174.231 174.600 -0.238 0.000 1.171 125 S CA -0.489 57.597 58.200 -0.190 0.000 0.817 125 S CB 1.622 64.710 63.200 -0.187 0.000 1.150 125 S HN 1.251 nan 8.310 nan 0.000 0.478 126 G N -0.704 107.913 108.800 -0.306 0.000 2.355 126 G HA2 0.579 4.542 3.960 0.006 0.000 0.619 126 G HA3 0.579 4.542 3.960 0.006 0.000 0.619 126 G C -0.868 173.377 174.900 -1.092 0.000 1.337 126 G CA -0.143 44.581 45.100 -0.626 0.000 0.993 126 G HN 2.262 nan 8.290 nan 0.000 0.599 127 A N -1.618 120.326 122.820 -1.459 0.000 2.583 127 A HA 0.937 5.261 4.320 0.006 0.000 0.298 127 A C 0.419 177.791 177.584 -0.354 0.000 1.055 127 A CA 0.700 52.228 52.037 -0.849 0.000 0.714 127 A CB 0.789 19.553 19.000 -0.394 0.000 1.277 127 A HN 2.576 nan 8.150 nan 0.000 0.406 128 A N 0.719 123.544 122.820 0.009 0.000 2.238 128 A HA 0.302 4.625 4.320 0.006 0.000 0.208 128 A C 1.641 179.261 177.584 0.061 0.000 1.177 128 A CA 1.688 53.909 52.037 0.306 0.000 0.804 128 A CB -0.507 18.748 19.000 0.425 0.000 0.823 128 A HN 1.832 nan 8.150 nan 0.000 0.482 129 S N -0.509 114.989 115.700 -0.337 0.000 2.556 129 S HA 0.313 4.786 4.470 0.006 0.000 0.216 129 S C 0.531 174.702 174.600 -0.715 0.000 0.970 129 S CA -0.473 57.050 58.200 -1.127 0.000 0.912 129 S CB -0.565 61.894 63.200 -1.235 0.000 0.790 129 S HN 0.385 nan 8.310 nan 0.000 0.504 130 L N 2.406 123.391 121.223 -0.396 0.000 2.506 130 L HA 0.082 4.426 4.340 0.006 0.000 0.281 130 L C 1.195 177.758 176.870 -0.512 0.000 1.228 130 L CA -0.332 54.218 54.840 -0.483 0.000 0.850 130 L CB 0.144 41.800 42.059 -0.671 0.000 1.110 130 L HN 0.088 nan 8.230 nan 0.000 0.496 131 D N 1.159 121.290 120.400 -0.447 0.000 2.182 131 D HA -0.139 4.504 4.640 0.006 0.000 0.201 131 D C 1.982 178.010 176.300 -0.453 0.000 0.986 131 D CA 1.340 55.133 54.000 -0.345 0.000 0.847 131 D CB -0.020 40.620 40.800 -0.267 0.000 0.942 131 D HN 0.551 nan 8.370 nan 0.000 0.467 132 V N -1.477 118.009 119.914 -0.713 0.000 3.241 132 V HA -0.147 3.976 4.120 0.006 0.000 0.269 132 V C 1.013 176.476 176.094 -1.052 0.000 1.151 132 V CA 1.029 62.852 62.300 -0.794 0.000 1.158 132 V CB -1.112 30.175 31.823 -0.894 0.000 0.764 132 V HN 0.064 nan 8.190 nan 0.000 0.508 133 Y N -0.020 119.726 120.300 -0.923 0.000 2.555 133 Y HA 0.449 5.003 4.550 0.005 0.000 0.259 133 Y C 0.856 176.207 175.900 -0.916 0.000 1.179 133 Y CA -1.928 55.284 58.100 -1.480 0.000 1.230 133 Y CB -0.592 37.383 38.460 -0.809 0.000 1.146 133 Y HN 0.235 nan 8.280 nan 0.000 0.526 134 D N 0.854 120.972 120.400 -0.470 0.000 2.412 134 D HA 0.026 4.669 4.640 0.006 0.000 0.257 134 D C 1.406 177.350 176.300 -0.594 0.000 1.217 134 D CA 0.545 54.306 54.000 -0.398 0.000 0.897 134 D CB 1.347 42.039 40.800 -0.180 0.000 1.132 134 D HN 0.476 nan 8.370 nan 0.000 0.493 135 G N 4.062 111.857 108.800 -1.675 0.000 2.848 135 G HA2 -0.186 3.777 3.960 0.006 0.000 0.208 135 G HA3 -0.186 3.777 3.960 0.006 0.000 0.208 135 G C 1.515 175.838 174.900 -0.962 0.000 1.152 135 G CA 0.380 44.728 45.100 -1.254 0.000 0.789 135 G HN 0.628 nan 8.290 nan 0.000 0.531 136 R N -0.486 119.352 120.500 -1.104 0.000 2.105 136 R HA -0.049 4.294 4.340 0.006 0.000 0.239 136 R C 1.773 177.793 176.300 -0.467 0.000 1.135 136 R CA 1.493 57.199 56.100 -0.657 0.000 0.967 136 R CB -0.710 29.232 30.300 -0.597 0.000 0.861 136 R HN 0.321 nan 8.270 nan 0.000 0.442 137 F N 1.335 121.185 119.950 -0.166 0.000 2.163 137 F HA 0.054 4.585 4.527 0.006 0.000 0.297 137 F C 2.302 178.041 175.800 -0.101 0.000 1.094 137 F CA 0.703 58.635 58.000 -0.113 0.000 1.290 137 F CB -0.536 38.390 39.000 -0.124 0.000 1.017 137 F HN -0.118 nan 8.300 nan 0.000 0.483 138 L N -0.187 121.066 121.223 0.049 0.000 2.083 138 L HA -0.209 4.134 4.340 0.006 0.000 0.209 138 L C 2.670 179.546 176.870 0.010 0.000 1.083 138 L CA 1.082 55.911 54.840 -0.018 0.000 0.752 138 L CB -0.796 41.201 42.059 -0.104 0.000 0.899 138 L HN 0.203 nan 8.230 nan 0.000 0.433 139 A N -1.033 121.796 122.820 0.015 0.000 1.855 139 A HA -0.225 4.099 4.320 0.006 0.000 0.215 139 A C 2.256 179.883 177.584 0.072 0.000 1.191 139 A CA 1.314 53.398 52.037 0.079 0.000 0.613 139 A CB -0.531 18.557 19.000 0.147 0.000 0.829 139 A HN 0.343 nan 8.150 nan 0.000 0.442 140 Q N -0.079 119.746 119.800 0.041 0.000 2.084 140 Q HA -0.095 4.248 4.340 0.006 0.000 0.202 140 Q C 2.087 178.119 176.000 0.054 0.000 0.978 140 Q CA 2.082 57.915 55.803 0.049 0.000 0.844 140 Q CB -0.203 28.547 28.738 0.020 0.000 0.898 140 Q HN 0.421 nan 8.270 nan 0.000 0.426 141 V N 0.545 120.490 119.914 0.051 0.000 2.685 141 V HA -0.032 4.092 4.120 0.006 0.000 0.244 141 V C 1.531 177.642 176.094 0.028 0.000 1.054 141 V CA 1.130 63.455 62.300 0.041 0.000 1.076 141 V CB 0.044 31.892 31.823 0.042 0.000 0.725 141 V HN 0.168 nan 8.190 nan 0.000 0.467 142 E N 0.024 120.239 120.200 0.025 0.000 2.498 142 E HA 0.219 4.573 4.350 0.006 0.000 0.203 142 E C 1.634 178.253 176.600 0.032 0.000 1.013 142 E CA 0.674 57.086 56.400 0.018 0.000 0.927 142 E CB 0.610 30.311 29.700 0.003 0.000 1.012 142 E HN 0.556 nan 8.360 nan 0.000 0.482 143 G N 1.921 110.750 108.800 0.048 0.000 2.225 143 G HA2 -0.325 3.639 3.960 0.006 0.000 0.267 143 G HA3 -0.325 3.639 3.960 0.006 0.000 0.267 143 G C 0.525 175.469 174.900 0.074 0.000 1.024 143 G CA 0.453 45.593 45.100 0.066 0.000 0.784 143 G HN 0.464 nan 8.290 nan 0.000 0.507 144 A N -0.903 121.959 122.820 0.070 0.000 2.351 144 A HA 0.685 5.009 4.320 0.006 0.000 0.257 144 A C 0.531 178.194 177.584 0.131 0.000 1.087 144 A CA 0.106 52.190 52.037 0.078 0.000 0.798 144 A CB 1.135 20.162 19.000 0.045 0.000 1.033 144 A HN 1.106 nan 8.150 nan 0.000 0.488 145 V N 2.979 122.979 119.914 0.143 0.000 2.364 145 V HA 0.342 4.466 4.120 0.006 0.000 0.272 145 V C -0.097 176.128 176.094 0.218 0.000 1.036 145 V CA -0.064 62.350 62.300 0.190 0.000 0.880 145 V CB 0.743 32.670 31.823 0.174 0.000 0.991 145 V HN 0.715 nan 8.190 nan 0.000 0.460 146 L N 6.192 127.600 121.223 0.307 0.000 2.341 146 L HA 0.734 5.078 4.340 0.006 0.000 0.278 146 L C -0.853 176.300 176.870 0.472 0.000 1.005 146 L CA -0.313 54.764 54.840 0.394 0.000 0.818 146 L CB 1.885 44.187 42.059 0.405 0.000 1.259 146 L HN 0.426 nan 8.230 nan 0.000 0.418 147 V N 3.185 123.349 119.914 0.417 0.000 2.588 147 V HA 0.669 4.793 4.120 0.006 0.000 0.304 147 V C -0.465 175.863 176.094 0.390 0.000 1.042 147 V CA -0.435 62.058 62.300 0.321 0.000 0.877 147 V CB 1.995 33.937 31.823 0.198 0.000 0.996 147 V HN 0.847 nan 8.190 nan 0.000 0.425 148 S N 5.447 121.372 115.700 0.376 0.000 2.549 148 S HA 0.908 5.381 4.470 0.006 0.000 0.280 148 S C -0.831 173.903 174.600 0.223 0.000 1.109 148 S CA -0.822 57.605 58.200 0.377 0.000 0.905 148 S CB 2.383 65.945 63.200 0.602 0.000 1.081 148 S HN 0.870 nan 8.310 nan 0.000 0.477 149 M N 1.298 121.000 119.600 0.169 0.000 2.591 149 M HA 0.633 5.117 4.480 0.006 0.000 0.306 149 M C -1.829 174.670 176.300 0.331 0.000 1.190 149 M CA -0.562 54.816 55.300 0.129 0.000 0.889 149 M CB 1.339 33.831 32.600 -0.181 0.000 1.728 149 M HN 0.555 nan 8.290 nan 0.000 0.458 150 N N 2.757 121.713 118.700 0.428 0.000 2.529 150 N HA 0.556 5.300 4.740 0.006 0.000 0.278 150 N C -1.361 174.420 175.510 0.451 0.000 1.146 150 N CA 0.173 53.502 53.050 0.465 0.000 0.980 150 N CB 0.459 39.157 38.487 0.352 0.000 1.124 150 N HN 0.716 nan 8.380 nan 0.000 0.458 151 Y N -1.842 118.621 120.300 0.272 0.000 2.553 151 Y HA 0.578 5.131 4.550 0.006 0.000 0.347 151 Y C -0.113 175.911 175.900 0.206 0.000 1.019 151 Y CA -1.359 56.852 58.100 0.184 0.000 1.032 151 Y CB 0.949 39.443 38.460 0.056 0.000 1.284 151 Y HN 0.197 nan 8.280 nan 0.000 0.466 152 R N 1.752 122.390 120.500 0.230 0.000 2.543 152 R HA 0.534 4.878 4.340 0.006 0.000 0.277 152 R C -0.438 176.017 176.300 0.258 0.000 1.074 152 R CA -0.317 55.875 56.100 0.153 0.000 1.076 152 R CB 0.986 31.346 30.300 0.099 0.000 0.993 152 R HN 0.717 nan 8.270 nan 0.000 0.459 153 V N -0.600 119.500 119.914 0.311 0.000 3.126 153 V HA 0.886 5.010 4.120 0.006 0.000 0.314 153 V C 0.696 177.117 176.094 0.544 0.000 1.138 153 V CA -0.142 62.453 62.300 0.491 0.000 1.034 153 V CB 1.244 33.249 31.823 0.303 0.000 1.075 153 V HN 0.968 nan 8.190 nan 0.000 0.442 154 G N 1.981 111.130 108.800 0.582 0.000 2.566 154 G HA2 -0.285 3.678 3.960 0.006 0.000 0.280 154 G HA3 -0.285 3.678 3.960 0.006 0.000 0.280 154 G C 1.014 176.077 174.900 0.272 0.000 1.225 154 G CA 1.466 46.837 45.100 0.452 0.000 0.966 154 G HN 2.328 nan 8.290 nan 0.000 0.560 155 T N -1.597 112.860 114.554 -0.162 0.000 2.708 155 T HA -0.056 4.297 4.350 0.006 0.000 0.266 155 T C 2.174 176.731 174.700 -0.239 0.000 1.037 155 T CA 2.569 64.311 62.100 -0.598 0.000 1.146 155 T CB -0.471 67.872 68.868 -0.876 0.000 0.865 155 T HN 0.614 nan 8.240 nan 0.000 0.435 156 F N 2.282 122.265 119.950 0.056 0.000 2.202 156 F HA 0.162 4.693 4.527 0.006 0.000 0.301 156 F C 2.755 178.532 175.800 -0.038 0.000 1.082 156 F CA 0.900 58.884 58.000 -0.027 0.000 1.313 156 F CB -0.944 38.022 39.000 -0.058 0.000 1.024 156 F HN 0.387 nan 8.300 nan 0.000 0.495 157 G N -2.205 106.676 108.800 0.135 0.000 2.719 157 G HA2 0.039 4.002 3.960 0.006 0.000 0.211 157 G HA3 0.039 4.002 3.960 0.006 0.000 0.211 157 G C 0.895 175.336 174.900 -0.765 0.000 1.140 157 G CA 0.246 45.184 45.100 -0.270 0.000 0.790 157 G HN 0.360 nan 8.290 nan 0.000 0.529 158 F N -0.886 119.132 119.950 0.113 0.000 2.975 158 F HA 0.414 4.944 4.527 0.006 0.000 0.366 158 F C 0.447 176.297 175.800 0.083 0.000 1.071 158 F CA -0.981 57.065 58.000 0.077 0.000 1.102 158 F CB 0.364 39.416 39.000 0.087 0.000 1.176 158 F HN -0.092 nan 8.300 nan 0.000 0.545 159 L N 2.186 123.430 121.223 0.034 0.000 2.513 159 L HA 0.515 4.858 4.340 0.006 0.000 0.272 159 L C -0.024 176.803 176.870 -0.072 0.000 1.187 159 L CA 0.058 54.810 54.840 -0.146 0.000 0.895 159 L CB 0.388 42.075 42.059 -0.621 0.000 1.147 159 L HN 0.120 nan 8.230 nan 0.000 0.483 160 A N 6.142 128.969 122.820 0.012 0.000 2.374 160 A HA 0.661 4.984 4.320 0.006 0.000 0.305 160 A C -1.097 176.460 177.584 -0.044 0.000 1.053 160 A CA -0.610 51.416 52.037 -0.019 0.000 0.726 160 A CB 1.248 20.270 19.000 0.035 0.000 1.229 160 A HN 0.688 nan 8.150 nan 0.000 0.431 161 L N 3.825 125.005 121.223 -0.073 0.000 2.353 161 L HA 0.333 4.677 4.340 0.006 0.000 0.269 161 L C -2.317 174.537 176.870 -0.027 0.000 1.085 161 L CA -1.551 53.258 54.840 -0.052 0.000 0.938 161 L CB 1.068 43.084 42.059 -0.072 0.000 1.312 161 L HN 0.408 nan 8.230 nan 0.000 0.429 162 P HA 0.130 nan 4.420 nan 0.000 0.266 162 P C 0.984 178.282 177.300 -0.004 0.000 1.195 162 P CA 0.614 63.713 63.100 -0.003 0.000 0.768 162 P CB 1.059 32.758 31.700 -0.001 0.000 0.838 163 G N 1.326 110.127 108.800 0.003 0.000 2.358 163 G HA2 -0.256 3.707 3.960 0.006 0.000 0.224 163 G HA3 -0.256 3.707 3.960 0.006 0.000 0.224 163 G C 0.535 175.436 174.900 0.002 0.000 1.073 163 G CA 0.313 45.414 45.100 0.002 0.000 0.635 163 G HN 0.851 nan 8.290 nan 0.000 0.509 164 S N 0.127 115.825 115.700 -0.003 0.000 2.608 164 S HA 0.603 5.077 4.470 0.006 0.000 0.261 164 S C 1.234 175.838 174.600 0.007 0.000 1.314 164 S CA 0.651 58.849 58.200 -0.003 0.000 0.992 164 S CB 1.852 65.042 63.200 -0.016 0.000 0.935 164 S HN 0.538 nan 8.310 nan 0.000 0.564 165 R N -0.057 120.449 120.500 0.010 0.000 2.128 165 R HA 0.095 4.438 4.340 0.006 0.000 0.211 165 R C 1.442 177.758 176.300 0.027 0.000 1.067 165 R CA 0.957 57.068 56.100 0.019 0.000 1.010 165 R CB -0.197 30.113 30.300 0.017 0.000 0.922 165 R HN 0.808 nan 8.270 nan 0.000 0.457 166 E N -0.642 119.574 120.200 0.026 0.000 2.400 166 E HA 0.127 4.480 4.350 0.006 0.000 0.195 166 E C -0.253 176.390 176.600 0.070 0.000 1.012 166 E CA 0.500 56.929 56.400 0.049 0.000 0.875 166 E CB 1.168 30.896 29.700 0.046 0.000 0.859 166 E HN 0.214 nan 8.360 nan 0.000 0.498 167 A N 1.084 123.918 122.820 0.023 0.000 3.300 167 A HA 0.276 4.599 4.320 0.006 0.000 0.300 167 A C -2.195 175.384 177.584 -0.007 0.000 1.099 167 A CA -0.923 51.116 52.037 0.003 0.000 0.846 167 A CB 0.482 19.390 19.000 -0.153 0.000 1.255 167 A HN -0.088 nan 8.150 nan 0.000 0.519 168 P HA 0.142 nan 4.420 nan 0.000 0.229 168 P C 0.930 178.243 177.300 0.021 0.000 1.160 168 P CA 1.799 64.912 63.100 0.022 0.000 0.777 168 P CB 0.191 31.913 31.700 0.038 0.000 0.814 169 G N 0.649 109.457 108.800 0.015 0.000 2.707 169 G HA2 -0.180 3.783 3.960 0.006 0.000 0.686 169 G HA3 -0.180 3.783 3.960 0.006 0.000 0.686 169 G C -0.131 174.761 174.900 -0.014 0.000 1.315 169 G CA -0.303 44.808 45.100 0.019 0.000 0.832 169 G HN 0.114 nan 8.290 nan 0.000 0.573 170 N N -2.349 116.340 118.700 -0.019 0.000 2.713 170 N HA -0.279 4.465 4.740 0.006 0.000 0.251 170 N C 1.896 177.238 175.510 -0.280 0.000 1.117 170 N CA 2.455 55.423 53.050 -0.137 0.000 0.770 170 N CB -1.584 36.773 38.487 -0.216 0.000 1.137 170 N HN 1.944 nan 8.380 nan 0.000 0.566 171 V N -2.786 116.956 119.914 -0.288 0.000 2.626 171 V HA 0.028 4.152 4.120 0.006 0.000 0.252 171 V C 2.250 178.200 176.094 -0.239 0.000 1.067 171 V CA 2.220 64.403 62.300 -0.194 0.000 1.081 171 V CB -0.774 30.993 31.823 -0.095 0.000 0.686 171 V HN 0.271 nan 8.190 nan 0.000 0.468 172 G N 0.346 108.808 108.800 -0.564 0.000 2.432 172 G HA2 -0.132 3.832 3.960 0.006 0.000 0.219 172 G HA3 -0.132 3.832 3.960 0.006 0.000 0.219 172 G C 1.547 176.402 174.900 -0.076 0.000 1.135 172 G CA 1.092 46.022 45.100 -0.284 0.000 0.767 172 G HN 0.529 nan 8.290 nan 0.000 0.550 173 L N -0.195 120.916 121.223 -0.186 0.000 2.093 173 L HA 0.058 4.402 4.340 0.006 0.000 0.208 173 L C 2.819 179.705 176.870 0.026 0.000 1.085 173 L CA 0.464 55.169 54.840 -0.225 0.000 0.755 173 L CB -0.246 41.350 42.059 -0.771 0.000 0.904 173 L HN 0.208 nan 8.230 nan 0.000 0.435 174 L N -0.754 120.495 121.223 0.043 0.000 2.156 174 L HA -0.176 4.167 4.340 0.006 0.000 0.208 174 L C 2.154 179.143 176.870 0.199 0.000 1.095 174 L CA 0.729 55.687 54.840 0.196 0.000 0.770 174 L CB -0.554 41.595 42.059 0.151 0.000 0.914 174 L HN 0.257 nan 8.230 nan 0.000 0.439 175 D N 0.079 120.584 120.400 0.174 0.000 2.104 175 D HA -0.208 4.436 4.640 0.006 0.000 0.194 175 D C 2.260 178.746 176.300 0.309 0.000 0.994 175 D CA 1.217 55.406 54.000 0.315 0.000 0.830 175 D CB -0.195 40.795 40.800 0.317 0.000 0.959 175 D HN 0.398 nan 8.370 nan 0.000 0.452 176 Q N 0.119 120.009 119.800 0.150 0.000 2.050 176 Q HA -0.136 4.208 4.340 0.006 0.000 0.202 176 Q C 2.303 178.298 176.000 -0.009 0.000 0.980 176 Q CA 1.067 56.874 55.803 0.008 0.000 0.840 176 Q CB -0.094 28.630 28.738 -0.022 0.000 0.898 176 Q HN 0.209 nan 8.270 nan 0.000 0.424 177 R N 0.610 121.201 120.500 0.151 0.000 2.096 177 R HA -0.160 4.184 4.340 0.006 0.000 0.235 177 R C 2.195 178.556 176.300 0.102 0.000 1.127 177 R CA 0.874 57.045 56.100 0.120 0.000 0.968 177 R CB -0.194 30.282 30.300 0.293 0.000 0.861 177 R HN 0.216 nan 8.270 nan 0.000 0.440 178 L N 0.880 122.207 121.223 0.174 0.000 2.046 178 L HA -0.069 4.275 4.340 0.006 0.000 0.208 178 L C 2.254 179.216 176.870 0.153 0.000 1.077 178 L CA 2.148 57.127 54.840 0.232 0.000 0.747 178 L CB -0.691 41.595 42.059 0.378 0.000 0.896 178 L HN 0.261 nan 8.230 nan 0.000 0.432 179 A N -1.138 121.586 122.820 -0.159 0.000 1.969 179 A HA -0.124 4.200 4.320 0.006 0.000 0.218 179 A C 2.094 179.634 177.584 -0.074 0.000 1.169 179 A CA 1.560 53.331 52.037 -0.444 0.000 0.635 179 A CB -0.697 17.711 19.000 -0.987 0.000 0.810 179 A HN 0.411 nan 8.150 nan 0.000 0.445 180 L N -0.192 120.992 121.223 -0.064 0.000 2.046 180 L HA -0.214 4.129 4.340 0.006 0.000 0.208 180 L C 2.673 179.593 176.870 0.084 0.000 1.077 180 L CA 2.016 56.854 54.840 -0.004 0.000 0.747 180 L CB -0.886 41.123 42.059 -0.085 0.000 0.896 180 L HN 0.468 nan 8.230 nan 0.000 0.432 181 Q N -2.383 117.481 119.800 0.107 0.000 2.079 181 Q HA -0.257 4.087 4.340 0.006 0.000 0.200 181 Q C 2.139 178.243 176.000 0.174 0.000 0.974 181 Q CA 1.751 57.629 55.803 0.125 0.000 0.840 181 Q CB -0.425 28.390 28.738 0.128 0.000 0.898 181 Q HN 0.587 nan 8.270 nan 0.000 0.430 182 W N 0.562 121.886 121.300 0.040 0.000 2.342 182 W HA -0.237 4.427 4.660 0.005 0.000 0.297 182 W C 1.772 178.327 176.519 0.059 0.000 1.213 182 W CA 1.339 58.724 57.345 0.067 0.000 1.251 182 W CB 0.024 29.529 29.460 0.075 0.000 1.136 182 W HN -0.129 nan 8.180 nan 0.000 0.526 183 V N 0.564 120.692 119.914 0.356 0.000 2.379 183 V HA -0.302 3.821 4.120 0.006 0.000 0.245 183 V C 2.506 178.635 176.094 0.058 0.000 1.044 183 V CA 1.866 64.309 62.300 0.239 0.000 1.036 183 V CB -0.959 31.011 31.823 0.246 0.000 0.664 183 V HN 0.160 nan 8.190 nan 0.000 0.453 184 Q N 0.010 119.846 119.800 0.059 0.000 2.096 184 Q HA -0.275 4.069 4.340 0.006 0.000 0.204 184 Q C 2.241 178.221 176.000 -0.034 0.000 0.982 184 Q CA 2.275 58.096 55.803 0.029 0.000 0.850 184 Q CB -0.238 28.523 28.738 0.038 0.000 0.901 184 Q HN 0.837 nan 8.270 nan 0.000 0.422 185 E N -0.186 119.957 120.200 -0.095 0.000 2.112 185 E HA -0.072 4.281 4.350 0.006 0.000 0.190 185 E C 1.284 177.737 176.600 -0.245 0.000 0.979 185 E CA 0.873 57.180 56.400 -0.155 0.000 0.814 185 E CB 0.265 29.866 29.700 -0.165 0.000 0.762 185 E HN 0.246 nan 8.360 nan 0.000 0.460 186 N N -0.182 118.271 118.700 -0.412 0.000 2.273 186 N HA 0.005 4.749 4.740 0.006 0.000 0.192 186 N C 1.440 176.815 175.510 -0.224 0.000 1.132 186 N CA 0.077 52.811 53.050 -0.527 0.000 0.887 186 N CB 0.344 38.074 38.487 -1.262 0.000 1.048 186 N HN 0.154 nan 8.380 nan 0.000 0.490 187 I N 2.299 122.817 120.570 -0.087 0.000 2.454 187 I HA -0.106 4.067 4.170 0.006 0.000 0.254 187 I C 2.063 178.297 176.117 0.195 0.000 1.156 187 I CA 0.623 62.028 61.300 0.175 0.000 1.433 187 I CB -0.234 37.854 38.000 0.147 0.000 1.082 187 I HN 0.040 nan 8.210 nan 0.000 0.432 188 A N 0.131 122.980 122.820 0.049 0.000 2.067 188 A HA -0.003 4.321 4.320 0.006 0.000 0.219 188 A C 2.406 179.971 177.584 -0.032 0.000 1.158 188 A CA 1.248 53.297 52.037 0.020 0.000 0.661 188 A CB -0.972 18.018 19.000 -0.017 0.000 0.801 188 A HN 0.454 nan 8.150 nan 0.000 0.452 189 A N -1.613 121.133 122.820 -0.123 0.000 2.178 189 A HA 0.136 4.460 4.320 0.006 0.000 0.218 189 A C 1.340 178.638 177.584 -0.477 0.000 1.157 189 A CA 1.013 52.844 52.037 -0.343 0.000 0.689 189 A CB -0.599 18.081 19.000 -0.534 0.000 0.787 189 A HN 0.507 nan 8.150 nan 0.000 0.465 190 F N -1.925 117.980 119.950 -0.074 0.000 2.682 190 F HA 0.402 4.933 4.527 0.006 0.000 0.308 190 F C 1.678 177.489 175.800 0.018 0.000 1.093 190 F CA 0.439 58.417 58.000 -0.036 0.000 1.244 190 F CB 0.554 39.551 39.000 -0.006 0.000 1.052 190 F HN 0.288 nan 8.300 nan 0.000 0.573 191 G N 0.418 109.302 108.800 0.140 0.000 2.157 191 G HA2 -0.168 3.795 3.960 0.006 0.000 0.239 191 G HA3 -0.168 3.795 3.960 0.006 0.000 0.239 191 G C 0.605 175.576 174.900 0.117 0.000 0.982 191 G CA -0.299 44.863 45.100 0.103 0.000 0.650 191 G HN 0.702 nan 8.290 nan 0.000 0.527 192 G N -0.425 108.468 108.800 0.156 0.000 2.476 192 G HA2 0.472 4.435 3.960 0.006 0.000 0.269 192 G HA3 0.472 4.435 3.960 0.006 0.000 0.269 192 G C -0.711 174.244 174.900 0.091 0.000 1.195 192 G CA 0.269 45.449 45.100 0.134 0.000 0.843 192 G HN 0.206 nan 8.290 nan 0.000 0.545 193 D N 1.813 122.259 120.400 0.077 0.000 2.443 193 D HA 0.273 4.917 4.640 0.006 0.000 0.221 193 D C -1.099 175.244 176.300 0.071 0.000 1.097 193 D CA -2.382 51.647 54.000 0.049 0.000 0.865 193 D CB 1.833 42.646 40.800 0.021 0.000 1.034 193 D HN 0.049 nan 8.370 nan 0.000 0.511 194 P HA -0.117 nan 4.420 nan 0.000 0.223 194 P C 1.267 178.679 177.300 0.186 0.000 1.144 194 P CA 0.709 63.878 63.100 0.115 0.000 0.783 194 P CB 0.236 31.979 31.700 0.072 0.000 0.771 195 M N -1.255 118.382 119.600 0.062 0.000 2.561 195 M HA 0.063 4.547 4.480 0.006 0.000 0.238 195 M C 0.597 176.609 176.300 -0.479 0.000 1.131 195 M CA 0.518 55.745 55.300 -0.121 0.000 1.046 195 M CB 0.112 32.627 32.600 -0.141 0.000 1.532 195 M HN -0.213 nan 8.290 nan 0.000 0.497 196 S N 0.589 116.226 115.700 -0.106 0.000 2.312 196 S HA 0.428 4.902 4.470 0.006 0.000 0.173 196 S C -1.100 173.612 174.600 0.187 0.000 1.488 196 S CA -0.577 57.598 58.200 -0.041 0.000 1.239 196 S CB 0.443 63.596 63.200 -0.077 0.000 1.215 196 S HN -0.042 nan 8.310 nan 0.000 0.438 197 V N 4.071 124.258 119.914 0.455 0.000 2.407 197 V HA 0.506 4.630 4.120 0.006 0.000 0.291 197 V C 0.017 176.292 176.094 0.301 0.000 1.018 197 V CA -0.485 62.005 62.300 0.317 0.000 0.842 197 V CB 1.762 33.745 31.823 0.266 0.000 0.996 197 V HN 0.708 nan 8.190 nan 0.000 0.426 198 T N 6.591 121.280 114.554 0.225 0.000 2.771 198 T HA 0.606 4.960 4.350 0.006 0.000 0.281 198 T C -0.167 174.678 174.700 0.241 0.000 0.982 198 T CA -0.348 61.892 62.100 0.233 0.000 0.978 198 T CB 0.922 69.883 68.868 0.155 0.000 0.930 198 T HN 0.353 nan 8.240 nan 0.000 0.447 199 L N 4.845 126.179 121.223 0.185 0.000 2.305 199 L HA 0.632 4.975 4.340 0.006 0.000 0.281 199 L C -0.386 176.684 176.870 0.332 0.000 1.085 199 L CA -0.881 54.029 54.840 0.118 0.000 0.813 199 L CB 0.210 42.119 42.059 -0.249 0.000 1.157 199 L HN 0.609 nan 8.230 nan 0.000 0.436 200 F N 0.702 120.729 119.950 0.128 0.000 2.576 200 F HA 0.977 5.508 4.527 0.005 0.000 0.313 200 F C -0.177 175.627 175.800 0.007 0.000 1.078 200 F CA -1.646 56.480 58.000 0.209 0.000 0.921 200 F CB 1.598 40.872 39.000 0.456 0.000 1.232 200 F HN 0.441 nan 8.300 nan 0.000 0.459 201 G N 1.457 110.159 108.800 -0.163 0.000 2.677 201 G HA2 0.510 4.473 3.960 0.006 0.000 0.291 201 G HA3 0.510 4.473 3.960 0.006 0.000 0.291 201 G C -2.345 172.339 174.900 -0.360 0.000 1.435 201 G CA -0.732 43.906 45.100 -0.771 0.000 0.826 201 G HN 0.871 nan 8.290 nan 0.000 0.491 205 G N 0.516 109.045 108.800 -0.452 0.000 2.408 205 G HA2 0.164 4.127 3.960 0.006 0.000 0.217 205 G HA3 0.164 4.127 3.960 0.006 0.000 0.217 205 G C 1.631 176.321 174.900 -0.350 0.000 1.150 205 G CA 1.616 46.417 45.100 -0.497 0.000 0.776 205 G HN 1.159 nan 8.290 nan 0.000 0.542 206 A N 1.282 123.965 122.820 -0.230 0.000 1.873 206 A HA 0.291 4.614 4.320 0.006 0.000 0.215 206 A C 2.824 180.361 177.584 -0.079 0.000 1.186 206 A CA 2.211 54.187 52.037 -0.103 0.000 0.616 206 A CB -0.851 18.145 19.000 -0.006 0.000 0.823 206 A HN 0.759 nan 8.150 nan 0.000 0.442 207 A N -0.600 122.193 122.820 -0.045 0.000 1.908 207 A HA -0.092 4.231 4.320 0.006 0.000 0.218 207 A C 2.446 179.999 177.584 -0.052 0.000 1.181 207 A CA 2.126 54.134 52.037 -0.048 0.000 0.627 207 A CB -0.912 18.087 19.000 -0.002 0.000 0.818 207 A HN 0.443 nan 8.150 nan 0.000 0.445 208 S N -0.554 115.102 115.700 -0.075 0.000 2.359 208 S HA -0.153 4.321 4.470 0.006 0.000 0.224 208 S C 1.912 176.423 174.600 -0.149 0.000 1.035 208 S CA 1.483 59.597 58.200 -0.145 0.000 1.018 208 S CB -0.518 62.527 63.200 -0.258 0.000 0.876 208 S HN 0.349 nan 8.310 nan 0.000 0.448 209 V N 1.558 121.406 119.914 -0.110 0.000 2.332 209 V HA -0.189 3.934 4.120 0.006 0.000 0.248 209 V C 2.570 178.636 176.094 -0.047 0.000 1.055 209 V CA 1.979 64.233 62.300 -0.077 0.000 1.038 209 V CB -1.449 30.315 31.823 -0.099 0.000 0.651 209 V HN 0.607 nan 8.190 nan 0.000 0.450 210 G N -0.353 108.414 108.800 -0.056 0.000 2.418 210 G HA2 -0.251 3.713 3.960 0.006 0.000 0.217 210 G HA3 -0.251 3.713 3.960 0.006 0.000 0.217 210 G C 1.486 176.379 174.900 -0.012 0.000 1.158 210 G CA 1.134 46.209 45.100 -0.042 0.000 0.771 210 G HN 0.423 nan 8.290 nan 0.000 0.545 211 M N 0.188 119.757 119.600 -0.053 0.000 2.229 211 M HA -0.004 4.480 4.480 0.006 0.000 0.264 211 M C 2.183 178.543 176.300 0.099 0.000 1.063 211 M CA 0.971 56.275 55.300 0.008 0.000 1.114 211 M CB -1.116 31.441 32.600 -0.070 0.000 1.387 211 M HN 0.220 nan 8.290 nan 0.000 0.420 212 H N 0.439 119.600 119.070 0.152 0.000 2.423 212 H HA 0.091 4.650 4.556 0.006 0.000 0.297 212 H C 2.249 177.751 175.328 0.290 0.000 1.075 212 H CA 1.181 57.326 56.048 0.161 0.000 1.342 212 H CB -0.228 29.488 29.762 -0.077 0.000 1.395 212 H HN 0.389 nan 8.280 nan 0.000 0.530 213 I N 0.632 121.432 120.570 0.384 0.000 2.361 213 I HA -0.222 3.951 4.170 0.006 0.000 0.251 213 I C 1.738 178.025 176.117 0.282 0.000 1.133 213 I CA 1.013 62.563 61.300 0.416 0.000 1.413 213 I CB -0.016 38.118 38.000 0.223 0.000 1.073 213 I HN 0.118 nan 8.210 nan 0.000 0.424 214 L N -0.926 120.419 121.223 0.202 0.000 2.607 214 L HA 0.128 4.472 4.340 0.006 0.000 0.228 214 L C 0.824 177.755 176.870 0.102 0.000 1.123 214 L CA 0.022 54.968 54.840 0.176 0.000 0.890 214 L CB 0.088 42.227 42.059 0.132 0.000 1.103 214 L HN 0.016 nan 8.230 nan 0.000 0.468 215 S N 0.018 115.752 115.700 0.058 0.000 2.530 215 S HA 0.268 4.742 4.470 0.006 0.000 0.322 215 S C 1.010 175.552 174.600 -0.097 0.000 1.085 215 S CA -0.636 57.488 58.200 -0.128 0.000 1.096 215 S CB 1.123 64.012 63.200 -0.518 0.000 0.988 215 S HN 0.026 nan 8.310 nan 0.000 0.466 216 L N 5.983 127.153 121.223 -0.089 0.000 1.997 216 L HA -0.008 4.336 4.340 0.006 0.000 0.216 216 L C -0.780 176.055 176.870 -0.060 0.000 1.074 216 L CA 2.303 57.109 54.840 -0.057 0.000 0.763 216 L CB -2.324 39.700 42.059 -0.057 0.000 0.890 216 L HN 0.540 nan 8.230 nan 0.000 0.434 217 P HA -0.038 nan 4.420 nan 0.000 0.228 217 P C 1.639 178.930 177.300 -0.014 0.000 1.151 217 P CA 0.835 63.899 63.100 -0.061 0.000 0.770 217 P CB 0.146 31.799 31.700 -0.079 0.000 0.786 218 S N -1.013 114.699 115.700 0.020 0.000 2.458 218 S HA 0.030 4.504 4.470 0.006 0.000 0.223 218 S C 1.809 176.540 174.600 0.218 0.000 1.019 218 S CA 0.180 58.483 58.200 0.171 0.000 0.937 218 S CB -0.256 63.162 63.200 0.363 0.000 0.788 218 S HN 0.015 nan 8.310 nan 0.000 0.511 219 R N 2.418 122.964 120.500 0.077 0.000 2.113 219 R HA -0.084 4.260 4.340 0.006 0.000 0.244 219 R C 2.404 178.526 176.300 -0.297 0.000 1.142 219 R CA 1.889 57.896 56.100 -0.155 0.000 0.953 219 R CB -1.650 28.590 30.300 -0.099 0.000 0.860 219 R HN 0.591 nan 8.270 nan 0.000 0.438 220 S N 0.218 115.832 115.700 -0.143 0.000 2.595 220 S HA 0.007 4.480 4.470 0.006 0.000 0.235 220 S C 1.811 176.325 174.600 -0.143 0.000 0.974 220 S CA 0.604 58.724 58.200 -0.133 0.000 0.942 220 S CB -0.255 62.911 63.200 -0.057 0.000 0.766 220 S HN 0.257 nan 8.310 nan 0.000 0.536 221 L N -0.020 121.147 121.223 -0.093 0.000 2.616 221 L HA 0.449 4.792 4.340 0.006 0.000 0.229 221 L C 0.193 177.073 176.870 0.017 0.000 1.110 221 L CA -0.228 54.618 54.840 0.010 0.000 0.884 221 L CB -0.023 42.094 42.059 0.096 0.000 1.115 221 L HN 0.506 nan 8.230 nan 0.000 0.481 222 F N -4.310 115.421 119.950 -0.366 0.000 2.741 222 F HA 0.468 4.998 4.527 0.005 0.000 0.313 222 F C 0.420 175.846 175.800 -0.624 0.000 1.153 222 F CA -1.027 56.699 58.000 -0.455 0.000 0.931 222 F CB 0.770 39.678 39.000 -0.154 0.000 1.335 222 F HN -0.176 nan 8.300 nan 0.000 0.460 223 H N -0.629 118.463 119.070 0.037 0.000 2.926 223 H HA 0.462 5.021 4.556 0.005 0.000 0.249 223 H C -0.073 175.263 175.328 0.014 0.000 0.963 223 H CA 0.072 56.071 56.048 -0.082 0.000 1.158 223 H CB 0.912 30.648 29.762 -0.043 0.000 1.445 223 H HN 0.433 nan 8.280 nan 0.000 0.452 224 R N 0.042 120.724 120.500 0.304 0.000 2.799 224 R HA 0.723 5.066 4.340 0.006 0.000 0.270 224 R C -1.416 175.160 176.300 0.459 0.000 1.010 224 R CA -0.723 55.547 56.100 0.283 0.000 0.916 224 R CB 2.893 33.192 30.300 -0.001 0.000 1.228 224 R HN 0.143 nan 8.270 nan 0.000 0.469 225 A N 1.088 124.188 122.820 0.467 0.000 2.488 225 A HA 0.597 4.920 4.320 0.006 0.000 0.298 225 A C -1.409 176.324 177.584 0.248 0.000 1.044 225 A CA -0.581 51.658 52.037 0.336 0.000 0.693 225 A CB 1.745 20.913 19.000 0.279 0.000 1.272 225 A HN 0.302 nan 8.150 nan 0.000 0.402 226 V N 2.640 122.666 119.914 0.186 0.000 2.417 226 V HA 0.511 4.634 4.120 0.006 0.000 0.291 226 V C -0.915 175.270 176.094 0.152 0.000 1.024 226 V CA -0.357 61.991 62.300 0.079 0.000 0.861 226 V CB 1.188 33.076 31.823 0.109 0.000 0.985 226 V HN 0.689 nan 8.190 nan 0.000 0.436 227 L N 5.387 126.671 121.223 0.102 0.000 2.318 227 L HA 0.493 4.836 4.340 0.006 0.000 0.277 227 L C 0.038 177.010 176.870 0.170 0.000 1.008 227 L CA 0.060 54.957 54.840 0.095 0.000 0.846 227 L CB 1.525 43.592 42.059 0.014 0.000 1.220 227 L HN 0.629 nan 8.230 nan 0.000 0.423 228 Q N 2.213 122.163 119.800 0.250 0.000 2.368 228 Q HA 0.432 4.775 4.340 0.006 0.000 0.256 228 Q C 0.094 176.217 176.000 0.205 0.000 0.980 228 Q CA -0.514 55.498 55.803 0.348 0.000 0.887 228 Q CB 1.174 30.220 28.738 0.513 0.000 1.221 228 Q HN 0.628 nan 8.270 nan 0.000 0.458 229 S N 0.948 116.741 115.700 0.156 0.000 3.631 229 S HA -0.154 4.320 4.470 0.006 0.000 0.366 229 S C 0.062 174.754 174.600 0.154 0.000 0.993 229 S CA 0.494 58.778 58.200 0.140 0.000 1.167 229 S CB -1.279 62.024 63.200 0.171 0.000 0.909 229 S HN 1.008 nan 8.310 nan 0.000 0.478 230 G N -0.299 108.584 108.800 0.140 0.000 2.556 230 G HA2 0.636 4.599 3.960 0.006 0.000 0.294 230 G HA3 0.636 4.599 3.960 0.006 0.000 0.294 230 G C -0.890 174.047 174.900 0.061 0.000 1.516 230 G CA 0.144 45.378 45.100 0.223 0.000 0.824 230 G HN 0.918 nan 8.290 nan 0.000 0.535 231 T N -1.075 113.460 114.554 -0.033 0.000 2.883 231 T HA 0.766 5.119 4.350 0.006 0.000 0.301 231 T C -2.326 172.215 174.700 -0.266 0.000 1.158 231 T CA -1.566 60.447 62.100 -0.143 0.000 1.007 231 T CB 3.112 71.887 68.868 -0.155 0.000 1.186 231 T HN 0.251 nan 8.240 nan 0.000 0.499 232 P HA 0.028 nan 4.420 nan 0.000 0.227 232 P C 0.242 177.374 177.300 -0.280 0.000 1.161 232 P CA 0.496 63.456 63.100 -0.233 0.000 0.788 232 P CB -0.015 31.605 31.700 -0.135 0.000 0.822 233 N N 0.553 119.108 118.700 -0.242 0.000 2.379 233 N HA 0.344 5.088 4.740 0.006 0.000 0.260 233 N C 0.698 176.004 175.510 -0.340 0.000 1.254 233 N CA 0.411 53.324 53.050 -0.229 0.000 0.958 233 N CB 0.328 38.727 38.487 -0.147 0.000 1.208 233 N HN 0.167 nan 8.380 nan 0.000 0.532 234 G N -0.895 107.727 108.800 -0.297 0.000 2.541 234 G HA2 -0.103 3.860 3.960 0.006 0.000 0.686 234 G HA3 -0.103 3.860 3.960 0.006 0.000 0.686 234 G C -2.372 172.297 174.900 -0.386 0.000 1.286 234 G CA -0.257 44.624 45.100 -0.366 0.000 0.894 234 G HN 0.545 nan 8.290 nan 0.000 0.575 235 P HA 0.149 nan 4.420 nan 0.000 0.245 235 P C 1.308 178.555 177.300 -0.088 0.000 1.206 235 P CA 1.725 64.706 63.100 -0.197 0.000 0.781 235 P CB -0.056 31.520 31.700 -0.206 0.000 0.994 236 W N -1.972 119.268 121.300 -0.100 0.000 2.773 236 W HA 0.565 5.228 4.660 0.004 0.000 0.297 236 W C 1.001 177.590 176.519 0.118 0.000 1.050 236 W CA 0.432 57.792 57.345 0.025 0.000 1.467 236 W CB -0.742 28.817 29.460 0.166 0.000 0.977 236 W HN -0.168 nan 8.180 nan 0.000 0.573 237 A N 2.002 124.488 122.820 -0.557 0.000 2.067 237 A HA 0.125 4.448 4.320 0.006 0.000 0.217 237 A C 1.146 178.566 177.584 -0.274 0.000 1.156 237 A CA 1.847 53.604 52.037 -0.466 0.000 0.683 237 A CB -0.790 17.664 19.000 -0.910 0.000 0.808 237 A HN 0.228 nan 8.150 nan 0.000 0.455 238 T N -2.958 111.450 114.554 -0.243 0.000 2.896 238 T HA 0.604 4.958 4.350 0.006 0.000 0.297 238 T C -0.655 173.958 174.700 -0.144 0.000 1.108 238 T CA -0.145 61.826 62.100 -0.215 0.000 1.004 238 T CB 1.463 70.217 68.868 -0.190 0.000 1.159 238 T HN 0.831 nan 8.240 nan 0.000 0.499 239 V N -0.746 119.090 119.914 -0.130 0.000 2.864 239 V HA 0.876 5.000 4.120 0.006 0.000 0.314 239 V C 0.429 176.479 176.094 -0.074 0.000 1.073 239 V CA -0.839 61.405 62.300 -0.094 0.000 0.956 239 V CB 1.262 33.027 31.823 -0.096 0.000 1.023 239 V HN 1.358 nan 8.190 nan 0.000 0.435 240 S N 2.618 118.282 115.700 -0.060 0.000 2.576 240 S HA 0.431 4.905 4.470 0.006 0.000 0.272 240 S C 1.445 176.023 174.600 -0.037 0.000 1.352 240 S CA 0.178 58.351 58.200 -0.045 0.000 1.021 240 S CB 1.042 64.219 63.200 -0.039 0.000 0.887 240 S HN 1.959 nan 8.310 nan 0.000 0.542 241 A N 2.733 125.538 122.820 -0.026 0.000 1.908 241 A HA 0.100 4.424 4.320 0.006 0.000 0.218 241 A C 2.251 179.823 177.584 -0.021 0.000 1.181 241 A CA 1.762 53.788 52.037 -0.018 0.000 0.627 241 A CB -1.839 17.154 19.000 -0.011 0.000 0.818 241 A HN 1.190 nan 8.150 nan 0.000 0.445 242 G N -0.448 108.338 108.800 -0.023 0.000 2.418 242 G HA2 -0.257 3.706 3.960 0.006 0.000 0.217 242 G HA3 -0.257 3.706 3.960 0.006 0.000 0.217 242 G C 1.481 176.363 174.900 -0.030 0.000 1.158 242 G CA 1.416 46.501 45.100 -0.024 0.000 0.771 242 G HN 0.584 nan 8.290 nan 0.000 0.545 243 E N 1.007 121.184 120.200 -0.039 0.000 2.072 243 E HA 0.086 4.439 4.350 0.006 0.000 0.191 243 E C 2.657 179.220 176.600 -0.062 0.000 0.985 243 E CA 1.411 57.779 56.400 -0.053 0.000 0.801 243 E CB -0.589 29.074 29.700 -0.062 0.000 0.750 243 E HN 0.269 nan 8.360 nan 0.000 0.452 244 A N 0.882 123.673 122.820 -0.048 0.000 1.933 244 A HA -0.189 4.134 4.320 0.006 0.000 0.218 244 A C 2.286 179.871 177.584 0.001 0.000 1.175 244 A CA 1.772 53.795 52.037 -0.024 0.000 0.628 244 A CB -0.634 18.369 19.000 0.005 0.000 0.814 244 A HN 0.279 nan 8.150 nan 0.000 0.444 245 R N -0.589 119.905 120.500 -0.011 0.000 2.083 245 R HA -0.150 4.193 4.340 0.006 0.000 0.237 245 R C 2.471 178.763 176.300 -0.013 0.000 1.137 245 R CA 1.693 57.785 56.100 -0.012 0.000 0.951 245 R CB -0.334 29.955 30.300 -0.018 0.000 0.851 245 R HN 0.511 nan 8.270 nan 0.000 0.434 246 R N 0.367 120.853 120.500 -0.023 0.000 2.097 246 R HA -0.156 4.187 4.340 0.006 0.000 0.236 246 R C 2.342 178.627 176.300 -0.025 0.000 1.135 246 R CA 2.189 58.273 56.100 -0.026 0.000 0.934 246 R CB -0.212 30.066 30.300 -0.036 0.000 0.846 246 R HN 0.307 nan 8.270 nan 0.000 0.431 247 R N -0.361 120.106 120.500 -0.055 0.000 2.127 247 R HA -0.124 4.220 4.340 0.006 0.000 0.238 247 R C 2.215 178.563 176.300 0.080 0.000 1.134 247 R CA 1.387 57.434 56.100 -0.089 0.000 0.975 247 R CB -0.314 29.787 30.300 -0.331 0.000 0.865 247 R HN 0.278 nan 8.270 nan 0.000 0.447 248 A N 0.677 123.576 122.820 0.133 0.000 1.930 248 A HA -0.130 4.194 4.320 0.006 0.000 0.215 248 A C 2.298 179.901 177.584 0.031 0.000 1.176 248 A CA 1.727 53.858 52.037 0.158 0.000 0.632 248 A CB -0.579 18.459 19.000 0.063 0.000 0.819 248 A HN 0.438 nan 8.150 nan 0.000 0.445 249 T N -1.765 112.793 114.554 0.007 0.000 2.896 249 T HA -0.075 4.278 4.350 0.006 0.000 0.263 249 T C 1.810 176.508 174.700 -0.003 0.000 1.050 249 T CA 1.381 63.472 62.100 -0.015 0.000 1.140 249 T CB -0.383 68.472 68.868 -0.022 0.000 0.877 249 T HN 0.171 nan 8.240 nan 0.000 0.457 250 L N 0.943 122.174 121.223 0.013 0.000 2.012 250 L HA 0.154 4.497 4.340 0.006 0.000 0.210 250 L C 2.347 179.241 176.870 0.039 0.000 1.073 250 L CA 1.765 56.617 54.840 0.021 0.000 0.748 250 L CB -1.291 40.781 42.059 0.022 0.000 0.891 250 L HN 0.431 nan 8.230 nan 0.000 0.431 251 L N -0.398 120.873 121.223 0.080 0.000 2.017 251 L HA -0.121 4.223 4.340 0.006 0.000 0.208 251 L C 2.532 179.405 176.870 0.005 0.000 1.073 251 L CA 1.957 56.854 54.840 0.095 0.000 0.745 251 L CB -0.775 41.399 42.059 0.191 0.000 0.894 251 L HN 0.295 nan 8.230 nan 0.000 0.432 252 A N -0.239 122.567 122.820 -0.023 0.000 1.892 252 A HA -0.296 4.028 4.320 0.006 0.000 0.218 252 A C 2.407 179.963 177.584 -0.046 0.000 1.188 252 A CA 2.178 54.185 52.037 -0.050 0.000 0.631 252 A CB -0.705 18.258 19.000 -0.062 0.000 0.822 252 A HN 0.512 nan 8.150 nan 0.000 0.447 253 R N -0.751 119.728 120.500 -0.034 0.000 2.094 253 R HA -0.139 4.204 4.340 0.006 0.000 0.239 253 R C 2.114 178.374 176.300 -0.066 0.000 1.137 253 R CA 1.784 57.861 56.100 -0.037 0.000 0.943 253 R CB -0.662 29.625 30.300 -0.021 0.000 0.850 253 R HN 0.567 nan 8.270 nan 0.000 0.433 254 L N 0.675 121.848 121.223 -0.083 0.000 2.189 254 L HA -0.157 4.186 4.340 0.006 0.000 0.214 254 L C 2.004 178.668 176.870 -0.344 0.000 1.097 254 L CA 0.988 55.710 54.840 -0.196 0.000 0.764 254 L CB -0.374 41.588 42.059 -0.162 0.000 0.900 254 L HN 0.222 nan 8.230 nan 0.000 0.436 255 V N -3.902 115.885 119.914 -0.211 0.000 3.483 255 V HA 0.500 4.624 4.120 0.006 0.000 0.301 255 V C 1.002 177.053 176.094 -0.071 0.000 1.389 255 V CA 0.080 62.286 62.300 -0.155 0.000 1.101 255 V CB -0.311 31.470 31.823 -0.071 0.000 0.971 255 V HN 0.408 nan 8.190 nan 0.000 0.434 256 G N -0.023 108.737 108.800 -0.067 0.000 2.401 256 G HA2 -0.209 3.754 3.960 0.006 0.000 0.283 256 G HA3 -0.209 3.754 3.960 0.006 0.000 0.283 256 G C -0.193 174.692 174.900 -0.025 0.000 1.117 256 G CA -0.024 45.055 45.100 -0.036 0.000 1.051 256 G HN 0.772 nan 8.290 nan 0.000 0.510 257 c N 1.774 120.356 118.600 -0.030 0.000 2.653 257 c HA 0.648 5.221 4.570 0.006 0.000 0.291 257 c C -1.564 172.510 174.090 -0.026 0.000 1.064 257 c CA -0.988 55.326 56.329 -0.025 0.000 1.469 257 c CB 0.933 43.425 42.510 -0.030 0.000 1.861 257 c HN 0.634 nan 8.230 nan 0.000 0.434 266 D N 0.216 120.603 120.400 -0.022 0.000 2.117 266 D HA -0.092 4.552 4.640 0.006 0.000 0.197 266 D C 1.130 177.413 176.300 -0.029 0.000 0.987 266 D CA 2.288 56.269 54.000 -0.033 0.000 0.829 266 D CB -0.538 40.242 40.800 -0.033 0.000 0.961 266 D HN 0.708 nan 8.370 nan 0.000 0.460 267 T N 0.822 115.367 114.554 -0.015 0.000 2.653 267 T HA -0.227 4.126 4.350 0.006 0.000 0.268 267 T C 1.818 176.515 174.700 -0.004 0.000 1.035 267 T CA 1.674 63.771 62.100 -0.005 0.000 1.154 267 T CB -0.200 68.669 68.868 0.000 0.000 0.862 267 T HN 0.310 nan 8.240 nan 0.000 0.441 268 E N 0.165 120.360 120.200 -0.008 0.000 2.107 268 E HA -0.007 4.347 4.350 0.006 0.000 0.191 268 E C 2.208 178.802 176.600 -0.011 0.000 0.982 268 E CA 0.431 56.828 56.400 -0.005 0.000 0.809 268 E CB -0.122 29.574 29.700 -0.006 0.000 0.756 268 E HN 0.445 nan 8.360 nan 0.000 0.459 269 L N 0.590 121.799 121.223 -0.024 0.000 2.005 269 L HA -0.132 4.211 4.340 0.006 0.000 0.207 269 L C 2.261 179.101 176.870 -0.050 0.000 1.072 269 L CA 1.150 55.966 54.840 -0.040 0.000 0.744 269 L CB -0.141 41.885 42.059 -0.055 0.000 0.895 269 L HN 0.179 nan 8.230 nan 0.000 0.433 270 I N 0.175 120.709 120.570 -0.060 0.000 2.226 270 I HA -0.281 3.892 4.170 0.006 0.000 0.245 270 I C 2.763 178.909 176.117 0.047 0.000 1.100 270 I CA 1.139 62.402 61.300 -0.061 0.000 1.374 270 I CB -0.584 37.384 38.000 -0.055 0.000 1.057 270 I HN 0.344 nan 8.210 nan 0.000 0.413 271 A N -0.306 122.536 122.820 0.037 0.000 1.940 271 A HA -0.296 4.028 4.320 0.006 0.000 0.219 271 A C 2.530 180.144 177.584 0.050 0.000 1.176 271 A CA 1.986 54.053 52.037 0.050 0.000 0.631 271 A CB -1.317 17.701 19.000 0.029 0.000 0.814 271 A HN 0.637 nan 8.150 nan 0.000 0.446 272 c N -0.631 117.987 118.600 0.030 0.000 2.453 272 c HA 0.018 4.592 4.570 0.006 0.000 0.277 272 c C 2.587 176.704 174.090 0.044 0.000 1.262 272 c CA 1.040 57.384 56.329 0.025 0.000 1.718 272 c CB -1.583 40.929 42.510 0.005 0.000 2.031 272 c HN 0.591 nan 8.230 nan 0.000 0.480 273 L N 0.567 121.823 121.223 0.054 0.000 2.081 273 L HA -0.175 4.169 4.340 0.006 0.000 0.212 273 L C 2.979 179.977 176.870 0.213 0.000 1.080 273 L CA 1.754 56.662 54.840 0.113 0.000 0.754 273 L CB -0.640 41.448 42.059 0.048 0.000 0.893 273 L HN 0.374 nan 8.230 nan 0.000 0.433 274 R N -0.676 119.959 120.500 0.225 0.000 2.189 274 R HA -0.115 4.228 4.340 0.006 0.000 0.223 274 R C 2.132 178.461 176.300 0.049 0.000 1.092 274 R CA 1.643 57.817 56.100 0.122 0.000 0.989 274 R CB -0.430 29.930 30.300 0.100 0.000 0.876 274 R HN 0.513 nan 8.270 nan 0.000 0.457 275 T N -1.592 112.992 114.554 0.051 0.000 3.100 275 T HA 0.106 4.459 4.350 0.006 0.000 0.253 275 T C 0.838 175.553 174.700 0.026 0.000 1.118 275 T CA -0.150 61.967 62.100 0.028 0.000 1.058 275 T CB 0.174 69.057 68.868 0.025 0.000 0.953 275 T HN -0.141 nan 8.240 nan 0.000 0.515 276 R N 2.666 123.188 120.500 0.037 0.000 2.441 276 R HA 0.417 4.761 4.340 0.006 0.000 0.284 276 R C -2.728 173.586 176.300 0.024 0.000 1.070 276 R CA -2.594 53.526 56.100 0.035 0.000 1.047 276 R CB 0.102 30.429 30.300 0.044 0.000 1.016 276 R HN 0.257 nan 8.270 nan 0.000 0.477 277 P HA 0.029 nan 4.420 nan 0.000 0.268 277 P C 0.285 177.571 177.300 -0.023 0.000 1.205 277 P CA 0.096 63.191 63.100 -0.009 0.000 0.771 277 P CB 0.597 32.302 31.700 0.008 0.000 0.858 278 A N 2.621 125.366 122.820 -0.124 0.000 1.948 278 A HA -0.293 4.031 4.320 0.006 0.000 0.220 278 A C 2.150 179.672 177.584 -0.104 0.000 1.177 278 A CA 1.998 53.940 52.037 -0.158 0.000 0.636 278 A CB -1.213 17.259 19.000 -0.879 0.000 0.815 278 A HN 0.546 nan 8.150 nan 0.000 0.449 279 Q N -0.101 119.618 119.800 -0.134 0.000 2.224 279 Q HA -0.138 4.205 4.340 0.006 0.000 0.203 279 Q C 1.215 177.309 176.000 0.157 0.000 0.970 279 Q CA 1.859 57.730 55.803 0.113 0.000 0.865 279 Q CB -0.306 28.528 28.738 0.160 0.000 0.922 279 Q HN 0.649 nan 8.270 nan 0.000 0.445 280 D N -0.539 119.937 120.400 0.126 0.000 2.117 280 D HA -0.120 4.524 4.640 0.006 0.000 0.198 280 D C 1.711 178.142 176.300 0.219 0.000 0.982 280 D CA 0.913 55.025 54.000 0.187 0.000 0.828 280 D CB -0.115 40.780 40.800 0.157 0.000 0.967 280 D HN 0.288 nan 8.370 nan 0.000 0.464 281 L N 0.208 121.509 121.223 0.130 0.000 2.017 281 L HA -0.138 4.206 4.340 0.006 0.000 0.208 281 L C 2.472 179.407 176.870 0.108 0.000 1.073 281 L CA 0.757 55.626 54.840 0.049 0.000 0.745 281 L CB -0.578 41.378 42.059 -0.170 0.000 0.894 281 L HN -0.021 nan 8.230 nan 0.000 0.432 282 V N -0.098 119.947 119.914 0.219 0.000 2.343 282 V HA -0.277 3.847 4.120 0.006 0.000 0.247 282 V C 2.035 178.274 176.094 0.242 0.000 1.051 282 V CA 1.843 64.328 62.300 0.310 0.000 1.036 282 V CB -0.566 31.552 31.823 0.492 0.000 0.654 282 V HN 0.418 nan 8.190 nan 0.000 0.451 283 D N -0.842 119.660 120.400 0.170 0.000 2.263 283 D HA -0.141 4.503 4.640 0.006 0.000 0.208 283 D C 1.739 177.894 176.300 -0.241 0.000 0.971 283 D CA 1.389 55.394 54.000 0.007 0.000 0.867 283 D CB -0.187 40.572 40.800 -0.069 0.000 0.929 283 D HN 0.638 nan 8.370 nan 0.000 0.492 284 H N -1.035 118.066 119.070 0.052 0.000 2.755 284 H HA 0.182 4.742 4.556 0.006 0.000 0.273 284 H C 1.534 176.802 175.328 -0.100 0.000 1.055 284 H CA -0.122 55.919 56.048 -0.012 0.000 1.191 284 H CB 0.673 30.526 29.762 0.152 0.000 1.536 284 H HN 0.052 nan 8.280 nan 0.000 0.529 285 E N 0.569 120.768 120.200 -0.001 0.000 2.114 285 E HA -0.232 4.121 4.350 0.006 0.000 0.199 285 E C 0.664 177.072 176.600 -0.320 0.000 1.008 285 E CA 1.504 57.857 56.400 -0.079 0.000 0.810 285 E CB -0.037 29.569 29.700 -0.156 0.000 0.739 285 E HN 0.587 nan 8.360 nan 0.000 0.456 286 W N -0.215 120.954 121.300 -0.218 0.000 2.937 286 W HA -0.028 4.635 4.660 0.005 0.000 0.245 286 W C 1.422 177.882 176.519 -0.098 0.000 1.306 286 W CA 0.170 57.379 57.345 -0.228 0.000 1.470 286 W CB 0.208 29.479 29.460 -0.315 0.000 1.132 286 W HN 0.198 nan 8.180 nan 0.000 0.675 287 H N -0.365 118.811 119.070 0.176 0.000 2.536 287 H HA 0.104 4.664 4.556 0.006 0.000 0.276 287 H C 1.716 177.089 175.328 0.076 0.000 1.019 287 H CA 0.720 56.853 56.048 0.143 0.000 1.159 287 H CB -0.601 29.270 29.762 0.181 0.000 1.373 287 H HN 0.251 nan 8.280 nan 0.000 0.584 288 V N -2.519 117.454 119.914 0.098 0.000 3.528 288 V HA 0.270 4.393 4.120 0.006 0.000 0.294 288 V C 0.594 176.652 176.094 -0.060 0.000 1.404 288 V CA -0.229 62.075 62.300 0.006 0.000 1.065 288 V CB -0.190 31.604 31.823 -0.050 0.000 0.904 288 V HN -0.029 nan 8.190 nan 0.000 0.435 289 L N 2.587 123.789 121.223 -0.034 0.000 2.416 289 L HA 0.324 4.667 4.340 0.006 0.000 0.272 289 L C -0.416 176.443 176.870 -0.019 0.000 1.161 289 L CA -1.177 53.633 54.840 -0.050 0.000 0.845 289 L CB 0.829 42.881 42.059 -0.011 0.000 1.119 289 L HN 0.108 nan 8.230 nan 0.000 0.464 290 P HA -0.114 nan 4.420 nan 0.000 0.220 290 P C -0.242 177.056 177.300 -0.003 0.000 1.148 290 P CA 1.179 64.267 63.100 -0.019 0.000 0.803 290 P CB 0.367 32.050 31.700 -0.029 0.000 0.782 291 Q N -1.238 118.562 119.800 -0.000 0.000 2.495 291 Q HA 0.341 4.684 4.340 0.006 0.000 0.287 291 Q C -0.556 175.455 176.000 0.019 0.000 1.078 291 Q CA -0.802 55.007 55.803 0.009 0.000 0.793 291 Q CB 1.267 30.009 28.738 0.006 0.000 1.459 291 Q HN -0.027 nan 8.270 nan 0.000 0.422 292 E N 1.047 121.262 120.200 0.025 0.000 2.417 292 E HA 0.303 4.656 4.350 0.006 0.000 0.261 292 E C -0.994 175.619 176.600 0.021 0.000 1.000 292 E CA 0.175 56.593 56.400 0.031 0.000 0.919 292 E CB 0.300 30.019 29.700 0.032 0.000 0.955 292 E HN 0.608 nan 8.360 nan 0.000 0.455 293 S N 3.720 119.431 115.700 0.019 0.000 2.611 293 S HA 0.598 5.071 4.470 0.006 0.000 0.268 293 S C -0.498 174.099 174.600 -0.006 0.000 1.156 293 S CA -1.042 57.159 58.200 0.002 0.000 0.817 293 S CB 0.628 63.816 63.200 -0.021 0.000 1.122 293 S HN 0.571 nan 8.310 nan 0.000 0.466 294 I N -2.753 117.808 120.570 -0.015 0.000 2.846 294 I HA 0.825 4.999 4.170 0.006 0.000 0.307 294 I C -0.318 175.727 176.117 -0.119 0.000 1.053 294 I CA -1.181 60.104 61.300 -0.026 0.000 1.050 294 I CB 1.233 39.288 38.000 0.092 0.000 1.239 294 I HN 0.783 nan 8.210 nan 0.000 0.439 295 F N 1.822 121.452 119.950 -0.534 0.000 3.080 295 F HA -0.177 4.354 4.527 0.006 0.000 0.292 295 F C -0.335 174.838 175.800 -1.045 0.000 0.891 295 F CA 0.659 58.128 58.000 -0.884 0.000 1.086 295 F CB -0.542 37.979 39.000 -0.798 0.000 1.095 295 F HN 0.602 nan 8.300 nan 0.000 0.633 296 R N 0.538 120.371 120.500 -1.112 0.000 2.564 296 R HA 0.623 4.966 4.340 0.006 0.000 0.284 296 R C -1.117 174.625 176.300 -0.930 0.000 1.031 296 R CA -0.550 55.064 56.100 -0.810 0.000 0.904 296 R CB 1.340 31.473 30.300 -0.279 0.000 1.199 296 R HN 0.021 nan 8.270 nan 0.000 0.443 297 F N -0.652 119.351 119.950 0.089 0.000 2.565 297 F HA 0.356 4.886 4.527 0.005 0.000 0.313 297 F C 1.484 177.158 175.800 -0.211 0.000 1.091 297 F CA -0.831 57.143 58.000 -0.043 0.000 0.915 297 F CB 1.913 41.010 39.000 0.160 0.000 1.208 297 F HN 0.336 nan 8.300 nan 0.000 0.453 298 S N 0.743 116.246 115.700 -0.328 0.000 2.356 298 S HA -0.043 4.431 4.470 0.006 0.000 0.223 298 S C 0.005 174.135 174.600 -0.783 0.000 1.032 298 S CA 1.239 59.083 58.200 -0.593 0.000 1.005 298 S CB -0.227 62.527 63.200 -0.742 0.000 0.867 298 S HN 0.364 nan 8.310 nan 0.000 0.449 299 F N 1.456 121.373 119.950 -0.055 0.000 2.382 299 F HA 0.571 5.102 4.527 0.006 0.000 0.361 299 F C -0.035 175.738 175.800 -0.045 0.000 1.109 299 F CA -0.982 57.023 58.000 0.009 0.000 1.031 299 F CB 1.375 40.419 39.000 0.073 0.000 1.234 299 F HN -0.094 nan 8.300 nan 0.000 0.445 300 V N 0.773 120.614 119.914 -0.121 0.000 3.167 300 V HA 0.751 4.874 4.120 0.006 0.000 0.310 300 V C -2.941 172.739 176.094 -0.691 0.000 1.207 300 V CA -3.374 58.504 62.300 -0.704 0.000 1.059 300 V CB 2.047 33.650 31.823 -0.366 0.000 1.079 300 V HN 0.278 nan 8.190 nan 0.000 0.446 301 P HA 0.097 nan 4.420 nan 0.000 0.261 301 P C -0.598 176.556 177.300 -0.244 0.000 1.173 301 P CA 0.591 63.399 63.100 -0.487 0.000 0.760 301 P CB 0.476 31.812 31.700 -0.606 0.000 0.783 302 V N 5.607 125.462 119.914 -0.098 0.000 2.472 302 V HA 0.187 4.311 4.120 0.006 0.000 0.290 302 V C -0.105 175.965 176.094 -0.040 0.000 1.037 302 V CA -0.756 61.508 62.300 -0.059 0.000 0.908 302 V CB 1.816 33.633 31.823 -0.009 0.000 0.985 302 V HN 0.136 nan 8.190 nan 0.000 0.454 303 V N 7.699 127.590 119.914 -0.038 0.000 2.324 303 V HA 0.138 4.262 4.120 0.006 0.000 0.244 303 V C 0.852 176.950 176.094 0.006 0.000 1.144 303 V CA 0.358 62.650 62.300 -0.012 0.000 1.158 303 V CB 0.003 31.811 31.823 -0.025 0.000 1.254 303 V HN 1.064 nan 8.190 nan 0.000 0.492 304 D N 2.607 123.026 120.400 0.030 0.000 2.339 304 D HA 0.095 4.738 4.640 0.006 0.000 0.217 304 D C 1.564 177.886 176.300 0.036 0.000 1.050 304 D CA 0.613 54.634 54.000 0.036 0.000 0.856 304 D CB 0.281 41.115 40.800 0.057 0.000 0.922 304 D HN 0.637 nan 8.370 nan 0.000 0.518 305 G N 0.797 109.618 108.800 0.035 0.000 2.187 305 G HA2 -0.336 3.627 3.960 0.006 0.000 0.261 305 G HA3 -0.336 3.627 3.960 0.006 0.000 0.261 305 G C 0.314 175.235 174.900 0.035 0.000 1.000 305 G CA 0.936 46.052 45.100 0.028 0.000 0.718 305 G HN 0.563 nan 8.290 nan 0.000 0.519 306 D N -1.814 118.622 120.400 0.061 0.000 2.973 306 D HA 0.213 4.857 4.640 0.006 0.000 0.187 306 D C 1.691 178.039 176.300 0.081 0.000 1.467 306 D CA 0.327 54.366 54.000 0.065 0.000 1.515 306 D CB -0.700 40.147 40.800 0.078 0.000 1.182 306 D HN 0.055 nan 8.370 nan 0.000 0.213 307 F N 1.193 121.149 119.950 0.011 0.000 2.091 307 F HA 0.131 4.661 4.527 0.005 0.000 0.299 307 F C 0.655 176.456 175.800 0.001 0.000 1.103 307 F CA 1.305 59.312 58.000 0.012 0.000 1.228 307 F CB 0.088 39.091 39.000 0.006 0.000 0.984 307 F HN 0.011 nan 8.300 nan 0.000 0.477 308 L N 0.644 122.044 121.223 0.296 0.000 2.295 308 L HA 0.186 4.529 4.340 0.006 0.000 0.281 308 L C 1.317 178.234 176.870 0.078 0.000 1.018 308 L CA -0.176 54.764 54.840 0.167 0.000 0.841 308 L CB 1.406 43.545 42.059 0.132 0.000 1.218 308 L HN 0.080 nan 8.230 nan 0.000 0.424 309 S N 0.537 116.263 115.700 0.044 0.000 2.453 309 S HA 0.014 4.487 4.470 0.006 0.000 0.231 309 S C 0.418 175.028 174.600 0.017 0.000 1.005 309 S CA 0.411 58.624 58.200 0.022 0.000 0.949 309 S CB 0.165 63.368 63.200 0.006 0.000 0.774 309 S HN 0.710 nan 8.310 nan 0.000 0.510 310 D N 0.091 120.503 120.400 0.020 0.000 2.768 310 D HA 0.295 4.939 4.640 0.006 0.000 0.327 310 D C -0.956 175.347 176.300 0.005 0.000 1.302 310 D CA 0.056 54.061 54.000 0.009 0.000 0.897 310 D CB 1.168 41.972 40.800 0.005 0.000 1.420 310 D HN 0.188 nan 8.370 nan 0.000 0.494 311 T N -0.837 113.712 114.554 -0.007 0.000 2.932 311 T HA 0.282 4.635 4.350 0.006 0.000 0.312 311 T C -1.819 172.871 174.700 -0.017 0.000 1.071 311 T CA -0.677 61.409 62.100 -0.023 0.000 1.128 311 T CB 1.102 69.951 68.868 -0.032 0.000 0.984 311 T HN 0.103 nan 8.240 nan 0.000 0.549 312 P HA -0.124 nan 4.420 nan 0.000 0.216 312 P C 1.475 178.764 177.300 -0.018 0.000 1.150 312 P CA 1.083 64.165 63.100 -0.030 0.000 0.843 312 P CB 0.094 31.745 31.700 -0.082 0.000 0.787 313 E N -0.259 119.921 120.200 -0.034 0.000 2.038 313 E HA -0.237 4.116 4.350 0.006 0.000 0.195 313 E C 1.951 178.556 176.600 0.008 0.000 1.000 313 E CA 1.395 57.783 56.400 -0.019 0.000 0.803 313 E CB -0.559 29.122 29.700 -0.031 0.000 0.750 313 E HN 0.058 nan 8.360 nan 0.000 0.448 314 A N 1.304 124.127 122.820 0.004 0.000 1.873 314 A HA -0.211 4.112 4.320 0.006 0.000 0.218 314 A C 2.279 179.884 177.584 0.035 0.000 1.193 314 A CA 1.783 53.828 52.037 0.013 0.000 0.629 314 A CB -0.928 18.074 19.000 0.004 0.000 0.826 314 A HN 0.342 nan 8.150 nan 0.000 0.447 315 L N -0.178 121.074 121.223 0.048 0.000 2.131 315 L HA -0.155 4.189 4.340 0.006 0.000 0.210 315 L C 2.569 179.550 176.870 0.185 0.000 1.092 315 L CA 1.521 56.415 54.840 0.090 0.000 0.759 315 L CB -0.737 41.380 42.059 0.097 0.000 0.903 315 L HN 0.700 nan 8.230 nan 0.000 0.435 316 I N -3.085 117.587 120.570 0.170 0.000 2.500 316 I HA -0.095 4.079 4.170 0.006 0.000 0.252 316 I C 1.995 178.251 176.117 0.231 0.000 1.142 316 I CA 1.175 62.626 61.300 0.251 0.000 1.451 316 I CB -0.412 37.640 38.000 0.085 0.000 1.093 316 I HN 0.131 nan 8.210 nan 0.000 0.430 317 N N 1.309 120.081 118.700 0.120 0.000 2.331 317 N HA -0.095 4.648 4.740 0.006 0.000 0.180 317 N C 1.685 177.234 175.510 0.064 0.000 1.019 317 N CA 1.997 55.097 53.050 0.083 0.000 0.881 317 N CB -0.202 38.313 38.487 0.046 0.000 0.972 317 N HN 0.702 nan 8.380 nan 0.000 0.435 318 T N -4.033 110.548 114.554 0.045 0.000 3.111 318 T HA 0.339 4.693 4.350 0.006 0.000 0.284 318 T C 0.746 175.387 174.700 -0.099 0.000 0.983 318 T CA -0.507 61.584 62.100 -0.015 0.000 0.900 318 T CB 0.143 69.001 68.868 -0.017 0.000 1.132 318 T HN 0.025 nan 8.240 nan 0.000 0.531 319 G N 0.870 109.579 108.800 -0.153 0.000 2.444 319 G HA2 0.447 4.411 3.960 0.006 0.000 0.268 319 G HA3 0.447 4.411 3.960 0.006 0.000 0.268 319 G C -1.085 173.285 174.900 -0.884 0.000 1.203 319 G CA -0.500 44.253 45.100 -0.577 0.000 0.835 319 G HN 0.378 nan 8.290 nan 0.000 0.543 320 D N 0.119 120.038 120.400 -0.802 0.000 2.313 320 D HA 0.400 5.043 4.640 0.006 0.000 0.239 320 D C -0.523 175.348 176.300 -0.715 0.000 1.142 320 D CA -0.495 53.163 54.000 -0.570 0.000 0.847 320 D CB 0.456 41.091 40.800 -0.275 0.000 1.082 320 D HN 0.104 nan 8.370 nan 0.000 0.480 321 F N 2.957 122.914 119.950 0.011 0.000 2.831 321 F HA 0.250 4.780 4.527 0.006 0.000 0.355 321 F C 1.572 177.381 175.800 0.015 0.000 1.341 321 F CA -0.590 57.420 58.000 0.017 0.000 1.201 321 F CB 0.373 39.392 39.000 0.031 0.000 1.058 321 F HN 0.333 nan 8.300 nan 0.000 0.514 322 Q N 0.875 120.725 119.800 0.083 0.000 2.029 322 Q HA -0.221 4.122 4.340 0.006 0.000 0.209 322 Q C 1.335 177.377 176.000 0.070 0.000 0.999 322 Q CA 2.063 57.899 55.803 0.056 0.000 0.857 322 Q CB -0.138 28.607 28.738 0.011 0.000 0.926 322 Q HN 0.263 nan 8.270 nan 0.000 0.415 323 D N -1.117 119.323 120.400 0.067 0.000 2.336 323 D HA 0.079 4.722 4.640 0.006 0.000 0.229 323 D C -0.878 175.462 176.300 0.067 0.000 1.061 323 D CA 0.050 54.079 54.000 0.049 0.000 0.875 323 D CB 0.167 40.978 40.800 0.019 0.000 0.904 323 D HN 0.053 nan 8.370 nan 0.000 0.525 324 L N 1.147 122.436 121.223 0.111 0.000 2.287 324 L HA 0.348 4.692 4.340 0.006 0.000 0.287 324 L C -0.717 176.233 176.870 0.133 0.000 1.022 324 L CA -0.406 54.509 54.840 0.125 0.000 0.814 324 L CB 1.485 43.641 42.059 0.162 0.000 1.217 324 L HN -0.212 nan 8.230 nan 0.000 0.420 325 Q N 3.477 123.372 119.800 0.158 0.000 2.307 325 Q HA 0.746 5.089 4.340 0.006 0.000 0.262 325 Q C -1.331 174.933 176.000 0.440 0.000 0.961 325 Q CA -0.404 55.556 55.803 0.262 0.000 0.882 325 Q CB 2.377 31.218 28.738 0.170 0.000 1.264 325 Q HN 0.443 nan 8.270 nan 0.000 0.446 326 V N 2.630 122.776 119.914 0.387 0.000 2.623 326 V HA 0.461 4.584 4.120 0.006 0.000 0.304 326 V C -1.401 174.658 176.094 -0.058 0.000 1.054 326 V CA -0.922 61.491 62.300 0.189 0.000 0.882 326 V CB 1.697 33.555 31.823 0.058 0.000 1.002 326 V HN 0.592 nan 8.190 nan 0.000 0.424 327 L N 6.952 127.915 121.223 -0.434 0.000 2.322 327 L HA 0.941 5.285 4.340 0.006 0.000 0.281 327 L C -0.436 176.326 176.870 -0.180 0.000 1.014 327 L CA -0.235 54.291 54.840 -0.525 0.000 0.815 327 L CB 1.703 42.997 42.059 -1.275 0.000 1.247 327 L HN 0.678 nan 8.230 nan 0.000 0.421 328 V N 2.091 121.980 119.914 -0.042 0.000 2.925 328 V HA 1.114 5.238 4.120 0.006 0.000 0.311 328 V C -0.229 175.689 176.094 -0.295 0.000 1.104 328 V CA 0.254 62.509 62.300 -0.074 0.000 0.954 328 V CB 1.042 32.785 31.823 -0.133 0.000 1.022 328 V HN 1.114 nan 8.190 nan 0.000 0.427 329 G N 1.251 109.707 108.800 -0.573 0.000 2.554 329 G HA2 0.863 4.827 3.960 0.006 0.000 0.306 329 G HA3 0.863 4.827 3.960 0.006 0.000 0.306 329 G C -1.135 173.422 174.900 -0.573 0.000 1.320 329 G CA 0.016 44.371 45.100 -1.242 0.000 0.800 329 G HN 2.108 nan 8.290 nan 0.000 0.481 330 V N -2.423 117.273 119.914 -0.364 0.000 3.188 330 V HA 0.892 5.016 4.120 0.006 0.000 0.305 330 V C 0.249 176.512 176.094 0.281 0.000 1.232 330 V CA -0.389 61.934 62.300 0.037 0.000 1.043 330 V CB 1.057 32.883 31.823 0.005 0.000 1.068 330 V HN 1.820 nan 8.190 nan 0.000 0.439 331 V N -0.021 120.092 119.914 0.331 0.000 3.170 331 V HA 0.567 4.691 4.120 0.006 0.000 0.309 331 V C 1.444 177.723 176.094 0.308 0.000 1.071 331 V CA 0.267 62.822 62.300 0.424 0.000 1.063 331 V CB 1.098 33.174 31.823 0.422 0.000 1.123 331 V HN 1.114 nan 8.190 nan 0.000 0.464 332 K N 0.216 120.794 120.400 0.296 0.000 2.148 332 K HA -0.051 4.272 4.320 0.006 0.000 0.204 332 K C 0.084 176.794 176.600 0.184 0.000 1.050 332 K CA 1.910 58.321 56.287 0.208 0.000 0.942 332 K CB -0.093 32.506 32.500 0.165 0.000 0.724 332 K HN 0.962 nan 8.250 nan 0.000 0.446 333 D N 0.769 121.281 120.400 0.187 0.000 2.502 333 D HA 0.069 4.713 4.640 0.006 0.000 0.301 333 D C -0.057 176.347 176.300 0.172 0.000 1.202 333 D CA -0.222 53.873 54.000 0.158 0.000 0.878 333 D CB 1.409 42.275 40.800 0.109 0.000 1.062 333 D HN 0.041 nan 8.370 nan 0.000 0.499 334 E N 0.633 120.965 120.200 0.221 0.000 2.204 334 E HA -0.094 4.259 4.350 0.006 0.000 0.195 334 E C 2.045 178.898 176.600 0.422 0.000 0.990 334 E CA 0.691 57.283 56.400 0.320 0.000 0.821 334 E CB 0.093 29.953 29.700 0.267 0.000 0.750 334 E HN 0.543 nan 8.360 nan 0.000 0.477 335 G N 1.036 110.017 108.800 0.302 0.000 2.603 335 G HA2 -0.157 3.807 3.960 0.006 0.000 0.214 335 G HA3 -0.157 3.807 3.960 0.006 0.000 0.214 335 G C 1.726 176.815 174.900 0.314 0.000 1.140 335 G CA 0.745 46.061 45.100 0.359 0.000 0.800 335 G HN 0.358 nan 8.290 nan 0.000 0.533 336 S N 0.058 115.845 115.700 0.146 0.000 2.359 336 S HA -0.247 4.226 4.470 0.006 0.000 0.224 336 S C 2.097 176.640 174.600 -0.095 0.000 1.035 336 S CA 1.333 59.562 58.200 0.047 0.000 1.018 336 S CB -0.905 62.232 63.200 -0.105 0.000 0.876 336 S HN 0.438 nan 8.310 nan 0.000 0.448 337 Y N 1.379 121.381 120.300 -0.497 0.000 2.139 337 Y HA -0.222 4.331 4.550 0.005 0.000 0.282 337 Y C 1.818 177.424 175.900 -0.490 0.000 1.179 337 Y CA 2.038 59.653 58.100 -0.809 0.000 1.161 337 Y CB -0.349 37.275 38.460 -1.393 0.000 0.970 337 Y HN 0.300 nan 8.280 nan 0.000 0.511 338 F N -0.944 119.147 119.950 0.234 0.000 2.367 338 F HA -0.116 4.414 4.527 0.005 0.000 0.298 338 F C 1.966 177.882 175.800 0.194 0.000 1.094 338 F CA 0.643 58.792 58.000 0.248 0.000 1.409 338 F CB -0.603 38.504 39.000 0.178 0.000 1.064 338 F HN -0.017 nan 8.300 nan 0.000 0.528 339 L N 0.149 121.493 121.223 0.202 0.000 2.042 339 L HA -0.198 4.146 4.340 0.006 0.000 0.210 339 L C 2.461 179.413 176.870 0.136 0.000 1.076 339 L CA 1.517 56.312 54.840 -0.074 0.000 0.749 339 L CB -1.099 40.681 42.059 -0.465 0.000 0.893 339 L HN 0.202 nan 8.230 nan 0.000 0.432 340 V N -4.860 115.208 119.914 0.257 0.000 3.217 340 V HA -0.176 3.947 4.120 0.006 0.000 0.264 340 V C 2.021 178.152 176.094 0.061 0.000 1.135 340 V CA 0.812 63.255 62.300 0.239 0.000 1.142 340 V CB -0.995 30.971 31.823 0.238 0.000 0.754 340 V HN 0.245 nan 8.190 nan 0.000 0.484 341 Y N 2.435 122.844 120.300 0.182 0.000 2.201 341 Y HA 0.421 4.974 4.550 0.006 0.000 0.292 341 Y C 2.475 178.431 175.900 0.094 0.000 1.119 341 Y CA 1.737 59.921 58.100 0.140 0.000 1.127 341 Y CB -0.268 38.278 38.460 0.142 0.000 1.019 341 Y HN 0.388 nan 8.280 nan 0.000 0.514 342 G N -1.093 107.843 108.800 0.228 0.000 4.165 342 G HA2 0.341 4.305 3.960 0.006 0.000 0.287 342 G HA3 0.341 4.305 3.960 0.006 0.000 0.287 342 G C -1.112 173.866 174.900 0.130 0.000 1.019 342 G CA -0.062 45.123 45.100 0.142 0.000 0.806 342 G HN -0.021 nan 8.290 nan 0.000 0.447 343 V N 2.295 122.305 119.914 0.159 0.000 2.350 343 V HA 0.330 4.454 4.120 0.006 0.000 0.276 343 V C -2.158 174.122 176.094 0.311 0.000 1.028 343 V CA -1.948 60.472 62.300 0.200 0.000 0.860 343 V CB 1.681 33.577 31.823 0.122 0.000 0.990 343 V HN 0.025 nan 8.190 nan 0.000 0.453 344 P HA 0.290 nan 4.420 nan 0.000 0.264 344 P C 0.997 178.381 177.300 0.139 0.000 1.193 344 P CA 1.127 64.315 63.100 0.148 0.000 0.763 344 P CB 0.766 32.519 31.700 0.088 0.000 0.810 345 G N 1.582 110.405 108.800 0.038 0.000 2.278 345 G HA2 -0.194 3.769 3.960 0.006 0.000 0.210 345 G HA3 -0.194 3.769 3.960 0.006 0.000 0.210 345 G C -0.216 174.494 174.900 -0.316 0.000 1.000 345 G CA -0.615 44.383 45.100 -0.170 0.000 0.635 345 G HN 0.394 nan 8.290 nan 0.000 0.495 346 F N 1.898 121.843 119.950 -0.009 0.000 2.404 346 F HA 0.770 5.301 4.527 0.006 0.000 0.339 346 F C 0.660 176.515 175.800 0.092 0.000 1.105 346 F CA 0.020 58.023 58.000 0.005 0.000 1.087 346 F CB 2.144 41.196 39.000 0.087 0.000 1.143 346 F HN 0.175 nan 8.300 nan 0.000 0.491 347 S N 1.896 117.774 115.700 0.298 0.000 2.556 347 S HA 0.291 4.765 4.470 0.006 0.000 0.271 347 S C 0.387 175.244 174.600 0.428 0.000 1.135 347 S CA -0.875 57.505 58.200 0.300 0.000 0.858 347 S CB 1.475 64.765 63.200 0.151 0.000 1.114 347 S HN 0.769 nan 8.310 nan 0.000 0.468 348 K N 1.235 121.796 120.400 0.269 0.000 2.288 348 K HA 0.054 4.378 4.320 0.006 0.000 0.201 348 K C 0.103 176.729 176.600 0.043 0.000 1.048 348 K CA 1.388 57.747 56.287 0.120 0.000 0.956 348 K CB -0.137 32.180 32.500 -0.306 0.000 0.746 348 K HN 0.490 nan 8.250 nan 0.000 0.461 349 D N 0.809 121.233 120.400 0.039 0.000 2.349 349 D HA 0.011 4.655 4.640 0.006 0.000 0.214 349 D C -0.231 176.095 176.300 0.043 0.000 1.063 349 D CA 0.274 54.270 54.000 -0.008 0.000 0.847 349 D CB 0.115 40.894 40.800 -0.035 0.000 0.933 349 D HN 0.487 nan 8.370 nan 0.000 0.513 350 N N -0.963 117.797 118.700 0.100 0.000 2.902 350 N HA 0.077 4.820 4.740 0.006 0.000 0.268 350 N C 0.444 175.995 175.510 0.068 0.000 1.450 350 N CA -0.492 52.590 53.050 0.053 0.000 0.819 350 N CB 0.940 39.417 38.487 -0.016 0.000 1.540 350 N HN -0.455 nan 8.380 nan 0.000 0.545 351 E N -0.294 119.877 120.200 -0.048 0.000 2.409 351 E HA -0.024 4.329 4.350 0.006 0.000 0.198 351 E C -0.318 175.923 176.600 -0.598 0.000 1.024 351 E CA 0.650 56.944 56.400 -0.178 0.000 0.861 351 E CB -0.728 28.905 29.700 -0.111 0.000 0.788 351 E HN 0.608 nan 8.360 nan 0.000 0.521 352 S N -0.182 115.192 115.700 -0.542 0.000 3.581 352 S HA -0.209 4.264 4.470 0.006 0.000 0.354 352 S C 0.305 174.474 174.600 -0.718 0.000 1.059 352 S CA 0.182 57.938 58.200 -0.740 0.000 1.060 352 S CB -1.926 60.624 63.200 -1.083 0.000 0.908 352 S HN 0.281 nan 8.310 nan 0.000 0.475 353 L N 1.701 122.651 121.223 -0.454 0.000 2.456 353 L HA 0.354 4.698 4.340 0.006 0.000 0.277 353 L C 0.788 177.456 176.870 -0.337 0.000 1.124 353 L CA -0.090 54.547 54.840 -0.339 0.000 0.880 353 L CB -0.091 41.839 42.059 -0.215 0.000 1.192 353 L HN 0.434 nan 8.230 nan 0.000 0.463 354 I N 0.270 120.626 120.570 -0.356 0.000 2.924 354 I HA 0.656 4.829 4.170 0.006 0.000 0.316 354 I C 0.610 176.638 176.117 -0.148 0.000 1.014 354 I CA -0.571 60.549 61.300 -0.300 0.000 1.106 354 I CB 1.722 39.492 38.000 -0.383 0.000 1.311 354 I HN 0.527 nan 8.210 nan 0.000 0.502 355 S N 1.759 117.408 115.700 -0.085 0.000 2.693 355 S HA 0.413 4.886 4.470 0.006 0.000 0.276 355 S C 0.908 175.526 174.600 0.031 0.000 1.192 355 S CA -0.554 57.627 58.200 -0.033 0.000 0.994 355 S CB 1.589 64.777 63.200 -0.020 0.000 1.012 355 S HN 0.854 nan 8.310 nan 0.000 0.550 356 R N 0.407 120.929 120.500 0.036 0.000 2.105 356 R HA -0.073 4.270 4.340 0.006 0.000 0.239 356 R C 2.251 178.653 176.300 0.170 0.000 1.135 356 R CA 1.721 57.880 56.100 0.098 0.000 0.967 356 R CB -1.112 29.221 30.300 0.054 0.000 0.861 356 R HN 0.820 nan 8.270 nan 0.000 0.442 357 A N 0.514 123.395 122.820 0.101 0.000 1.873 357 A HA -0.190 4.134 4.320 0.006 0.000 0.215 357 A C 2.021 179.664 177.584 0.097 0.000 1.186 357 A CA 1.499 53.589 52.037 0.089 0.000 0.616 357 A CB -0.475 18.557 19.000 0.053 0.000 0.823 357 A HN 0.534 nan 8.150 nan 0.000 0.442 358 Q N -1.748 118.107 119.800 0.091 0.000 2.226 358 Q HA -0.130 4.214 4.340 0.006 0.000 0.204 358 Q C 1.832 177.945 176.000 0.188 0.000 0.975 358 Q CA 1.382 57.247 55.803 0.102 0.000 0.866 358 Q CB -0.327 28.435 28.738 0.040 0.000 0.915 358 Q HN 0.790 nan 8.270 nan 0.000 0.440 359 F N 1.326 121.309 119.950 0.054 0.000 2.075 359 F HA -0.196 4.334 4.527 0.005 0.000 0.297 359 F C 1.813 177.656 175.800 0.072 0.000 1.113 359 F CA 1.154 59.199 58.000 0.075 0.000 1.218 359 F CB 0.035 39.060 39.000 0.041 0.000 0.984 359 F HN -0.055 nan 8.300 nan 0.000 0.472 360 L N 0.093 121.313 121.223 -0.005 0.000 2.083 360 L HA -0.205 4.139 4.340 0.006 0.000 0.209 360 L C 2.822 179.638 176.870 -0.090 0.000 1.083 360 L CA 1.078 55.855 54.840 -0.105 0.000 0.752 360 L CB -1.371 40.710 42.059 0.036 0.000 0.899 360 L HN 0.281 nan 8.230 nan 0.000 0.433 361 A N 0.659 123.470 122.820 -0.016 0.000 1.877 361 A HA -0.112 4.212 4.320 0.006 0.000 0.216 361 A C 2.449 180.028 177.584 -0.009 0.000 1.186 361 A CA 1.697 53.737 52.037 0.004 0.000 0.620 361 A CB -1.307 17.717 19.000 0.040 0.000 0.822 361 A HN 0.421 nan 8.150 nan 0.000 0.443 362 G N -0.474 108.329 108.800 0.004 0.000 2.469 362 G HA2 -0.192 3.772 3.960 0.006 0.000 0.219 362 G HA3 -0.192 3.772 3.960 0.006 0.000 0.219 362 G C 1.517 176.362 174.900 -0.091 0.000 1.150 362 G CA 1.371 46.475 45.100 0.007 0.000 0.763 362 G HN 0.339 nan 8.290 nan 0.000 0.561 363 V N 0.815 120.594 119.914 -0.225 0.000 2.407 363 V HA -0.134 3.989 4.120 0.006 0.000 0.248 363 V C 3.005 179.042 176.094 -0.095 0.000 1.055 363 V CA 1.709 63.876 62.300 -0.222 0.000 1.049 363 V CB -0.388 31.217 31.823 -0.364 0.000 0.662 363 V HN 0.215 nan 8.190 nan 0.000 0.455 364 R N -0.019 120.440 120.500 -0.068 0.000 2.096 364 R HA -0.006 4.338 4.340 0.006 0.000 0.235 364 R C 2.047 178.342 176.300 -0.009 0.000 1.127 364 R CA 1.444 57.529 56.100 -0.025 0.000 0.968 364 R CB -0.842 29.451 30.300 -0.011 0.000 0.861 364 R HN 0.488 nan 8.270 nan 0.000 0.440 365 I N -0.659 119.908 120.570 -0.006 0.000 2.406 365 I HA -0.072 4.101 4.170 0.006 0.000 0.249 365 I C 2.194 178.317 176.117 0.009 0.000 1.122 365 I CA 1.407 62.713 61.300 0.010 0.000 1.431 365 I CB -0.475 37.540 38.000 0.025 0.000 1.087 365 I HN 0.185 nan 8.210 nan 0.000 0.424 366 G N 0.382 109.180 108.800 -0.003 0.000 2.551 366 G HA2 0.036 3.999 3.960 0.006 0.000 0.216 366 G HA3 0.036 3.999 3.960 0.006 0.000 0.216 366 G C 0.828 175.748 174.900 0.033 0.000 1.137 366 G CA 0.250 45.354 45.100 0.006 0.000 0.798 366 G HN 0.231 nan 8.290 nan 0.000 0.536 367 V N 2.082 122.001 119.914 0.008 0.000 2.326 367 V HA 0.223 4.346 4.120 0.006 0.000 0.254 367 V C -1.509 174.598 176.094 0.022 0.000 1.022 367 V CA -1.091 61.205 62.300 -0.006 0.000 1.074 367 V CB 1.392 33.186 31.823 -0.047 0.000 1.305 367 V HN 0.077 nan 8.190 nan 0.000 0.506 368 P HA -0.111 nan 4.420 nan 0.000 0.230 368 P C 0.784 178.097 177.300 0.022 0.000 1.158 368 P CA 0.847 63.960 63.100 0.022 0.000 0.769 368 P CB 0.395 32.104 31.700 0.015 0.000 0.807 369 Q N -0.372 119.450 119.800 0.036 0.000 2.403 369 Q HA 0.297 4.640 4.340 0.006 0.000 0.203 369 Q C 1.011 177.019 176.000 0.013 0.000 0.932 369 Q CA 0.048 55.866 55.803 0.025 0.000 0.945 369 Q CB -0.661 28.099 28.738 0.038 0.000 1.045 369 Q HN 0.105 nan 8.270 nan 0.000 0.511 370 A N 1.503 124.331 122.820 0.012 0.000 2.454 370 A HA 0.443 4.767 4.320 0.006 0.000 0.260 370 A C 0.606 178.193 177.584 0.004 0.000 1.106 370 A CA -0.291 51.749 52.037 0.005 0.000 0.780 370 A CB 0.110 19.116 19.000 0.011 0.000 1.044 370 A HN 0.392 nan 8.150 nan 0.000 0.498 371 S N 2.102 117.801 115.700 -0.001 0.000 2.650 371 S HA 0.029 4.503 4.470 0.006 0.000 0.251 371 S C 0.425 175.034 174.600 0.014 0.000 1.325 371 S CA 0.683 58.885 58.200 0.003 0.000 0.967 371 S CB 0.134 63.332 63.200 -0.005 0.000 1.000 371 S HN 0.629 nan 8.310 nan 0.000 0.584 372 D N -0.247 120.164 120.400 0.019 0.000 2.162 372 D HA 0.040 4.683 4.640 0.006 0.000 0.203 372 D C 1.736 178.062 176.300 0.044 0.000 0.967 372 D CA 0.462 54.479 54.000 0.029 0.000 0.840 372 D CB -0.415 40.401 40.800 0.028 0.000 0.972 372 D HN 0.335 nan 8.370 nan 0.000 0.482 373 L N 0.824 122.072 121.223 0.041 0.000 2.056 373 L HA 0.002 4.346 4.340 0.006 0.000 0.207 373 L C 2.056 178.975 176.870 0.083 0.000 1.078 373 L CA 1.498 56.375 54.840 0.061 0.000 0.749 373 L CB -0.915 41.172 42.059 0.048 0.000 0.901 373 L HN -0.014 nan 8.230 nan 0.000 0.433 374 A N -0.617 122.234 122.820 0.052 0.000 1.877 374 A HA -0.129 4.194 4.320 0.006 0.000 0.216 374 A C 2.432 180.073 177.584 0.096 0.000 1.186 374 A CA 1.890 53.960 52.037 0.056 0.000 0.620 374 A CB -1.156 17.840 19.000 -0.006 0.000 0.822 374 A HN 0.528 nan 8.150 nan 0.000 0.443 375 A N -0.866 121.994 122.820 0.067 0.000 1.972 375 A HA -0.123 4.201 4.320 0.006 0.000 0.219 375 A C 1.972 179.610 177.584 0.090 0.000 1.169 375 A CA 1.683 53.756 52.037 0.060 0.000 0.635 375 A CB -0.389 18.627 19.000 0.026 0.000 0.810 375 A HN 0.436 nan 8.150 nan 0.000 0.446 376 E N 0.075 120.338 120.200 0.105 0.000 2.077 376 E HA -0.143 4.210 4.350 0.006 0.000 0.193 376 E C 2.384 179.087 176.600 0.172 0.000 0.989 376 E CA 1.264 57.745 56.400 0.134 0.000 0.800 376 E CB -0.570 29.202 29.700 0.119 0.000 0.746 376 E HN 0.543 nan 8.360 nan 0.000 0.452 377 A N 0.770 123.710 122.820 0.199 0.000 1.883 377 A HA -0.166 4.158 4.320 0.006 0.000 0.217 377 A C 2.628 180.293 177.584 0.135 0.000 1.186 377 A CA 1.736 53.922 52.037 0.249 0.000 0.624 377 A CB -0.769 18.519 19.000 0.479 0.000 0.822 377 A HN 0.151 nan 8.150 nan 0.000 0.444 378 V N -0.470 119.563 119.914 0.199 0.000 2.261 378 V HA -0.245 3.879 4.120 0.006 0.000 0.246 378 V C 2.569 178.833 176.094 0.284 0.000 1.047 378 V CA 2.061 64.460 62.300 0.165 0.000 1.015 378 V CB -0.878 31.050 31.823 0.176 0.000 0.642 378 V HN 0.368 nan 8.190 nan 0.000 0.446 379 V N -0.461 119.591 119.914 0.231 0.000 2.343 379 V HA -0.230 3.893 4.120 0.006 0.000 0.247 379 V C 2.390 178.719 176.094 0.392 0.000 1.051 379 V CA 1.608 64.114 62.300 0.342 0.000 1.036 379 V CB -0.485 31.483 31.823 0.241 0.000 0.654 379 V HN 0.402 nan 8.190 nan 0.000 0.451 380 L N -0.410 121.015 121.223 0.336 0.000 2.046 380 L HA -0.223 4.121 4.340 0.006 0.000 0.208 380 L C 2.483 179.564 176.870 0.351 0.000 1.077 380 L CA 2.543 57.638 54.840 0.424 0.000 0.747 380 L CB -1.162 41.056 42.059 0.266 0.000 0.896 380 L HN 0.513 nan 8.230 nan 0.000 0.432 381 H N -1.420 117.655 119.070 0.008 0.000 2.395 381 H HA -0.165 4.394 4.556 0.005 0.000 0.299 381 H C 1.742 176.970 175.328 -0.167 0.000 1.070 381 H CA 1.767 57.678 56.048 -0.228 0.000 1.356 381 H CB 0.051 29.355 29.762 -0.762 0.000 1.401 381 H HN 0.239 nan 8.280 nan 0.000 0.524 382 Y N -0.354 120.005 120.300 0.097 0.000 2.500 382 Y HA 0.151 4.706 4.550 0.007 0.000 0.270 382 Y C 0.794 176.747 175.900 0.088 0.000 1.134 382 Y CA 0.279 58.466 58.100 0.146 0.000 1.293 382 Y CB 0.326 39.000 38.460 0.356 0.000 1.063 382 Y HN 0.009 nan 8.280 nan 0.000 0.534 383 T N 1.458 116.037 114.554 0.042 0.000 2.916 383 T HA -0.054 4.300 4.350 0.006 0.000 0.303 383 T C -0.292 174.081 174.700 -0.545 0.000 1.025 383 T CA -0.164 61.691 62.100 -0.408 0.000 1.142 383 T CB 0.243 68.465 68.868 -1.077 0.000 0.947 383 T HN 0.064 nan 8.240 nan 0.000 0.544 384 D N 2.098 122.125 120.400 -0.623 0.000 2.393 384 D HA 0.114 4.758 4.640 0.006 0.000 0.232 384 D C 0.193 176.191 176.300 -0.503 0.000 1.192 384 D CA -0.699 52.921 54.000 -0.633 0.000 0.882 384 D CB 0.271 40.493 40.800 -0.963 0.000 1.038 384 D HN 0.595 nan 8.370 nan 0.000 0.499 385 W N 3.030 124.248 121.300 -0.137 0.000 2.525 385 W HA -0.044 4.618 4.660 0.004 0.000 0.259 385 W C 1.753 178.185 176.519 -0.145 0.000 1.253 385 W CA -0.241 57.038 57.345 -0.110 0.000 1.262 385 W CB -0.124 29.284 29.460 -0.087 0.000 1.122 385 W HN 0.421 nan 8.180 nan 0.000 0.607 386 L N -1.159 120.029 121.223 -0.058 0.000 2.044 386 L HA -0.125 4.219 4.340 0.006 0.000 0.205 386 L C 0.449 177.020 176.870 -0.499 0.000 1.075 386 L CA 1.590 56.251 54.840 -0.299 0.000 0.747 386 L CB -0.950 40.855 42.059 -0.423 0.000 0.903 386 L HN -0.008 nan 8.230 nan 0.000 0.435 387 H N -2.105 116.881 119.070 -0.140 0.000 2.340 387 H HA 0.243 4.802 4.556 0.005 0.000 0.233 387 H C -1.970 173.237 175.328 -0.201 0.000 1.435 387 H CA -1.736 54.228 56.048 -0.140 0.000 1.389 387 H CB -0.037 29.646 29.762 -0.131 0.000 1.491 387 H HN -0.004 nan 8.280 nan 0.000 0.518 388 P HA -0.063 nan 4.420 nan 0.000 0.237 388 P C 0.752 177.955 177.300 -0.163 0.000 1.178 388 P CA 0.847 63.792 63.100 -0.258 0.000 0.766 388 P CB 0.652 32.190 31.700 -0.270 0.000 0.876 389 E N -0.821 119.334 120.200 -0.074 0.000 2.526 389 E HA 0.047 4.401 4.350 0.006 0.000 0.208 389 E C -0.151 176.424 176.600 -0.043 0.000 0.997 389 E CA -0.008 56.361 56.400 -0.052 0.000 0.961 389 E CB -0.016 29.670 29.700 -0.022 0.000 1.030 389 E HN 0.249 nan 8.360 nan 0.000 0.483 390 D N 2.459 122.843 120.400 -0.027 0.000 2.382 390 D HA 0.002 4.645 4.640 0.006 0.000 0.259 390 D C -1.602 174.669 176.300 -0.049 0.000 1.224 390 D CA -1.524 52.462 54.000 -0.024 0.000 0.894 390 D CB 1.319 42.112 40.800 -0.012 0.000 1.127 390 D HN -0.157 nan 8.370 nan 0.000 0.487 391 P HA -0.085 nan 4.420 nan 0.000 0.219 391 P C 1.115 178.343 177.300 -0.119 0.000 1.150 391 P CA 0.833 63.868 63.100 -0.108 0.000 0.814 391 P CB 0.219 31.849 31.700 -0.117 0.000 0.787 392 T N -1.434 113.069 114.554 -0.086 0.000 2.737 392 T HA -0.188 4.166 4.350 0.006 0.000 0.265 392 T C 1.751 176.424 174.700 -0.045 0.000 1.038 392 T CA 1.692 63.751 62.100 -0.068 0.000 1.144 392 T CB -1.068 67.774 68.868 -0.043 0.000 0.866 392 T HN 0.266 nan 8.240 nan 0.000 0.434 393 H N 1.060 120.067 119.070 -0.106 0.000 2.353 393 H HA 0.062 4.621 4.556 0.005 0.000 0.300 393 H C 1.975 177.225 175.328 -0.129 0.000 1.090 393 H CA 1.346 57.331 56.048 -0.105 0.000 1.327 393 H CB -0.552 29.127 29.762 -0.139 0.000 1.383 393 H HN 0.247 nan 8.280 nan 0.000 0.508 394 L N -0.014 121.028 121.223 -0.302 0.000 2.056 394 L HA -0.125 4.219 4.340 0.006 0.000 0.207 394 L C 2.922 179.695 176.870 -0.163 0.000 1.078 394 L CA 1.313 55.893 54.840 -0.435 0.000 0.749 394 L CB -0.471 41.394 42.059 -0.325 0.000 0.901 394 L HN 0.277 nan 8.230 nan 0.000 0.433 395 R N 0.566 121.017 120.500 -0.082 0.000 2.083 395 R HA -0.204 4.139 4.340 0.006 0.000 0.237 395 R C 1.586 177.974 176.300 0.146 0.000 1.137 395 R CA 2.232 58.376 56.100 0.072 0.000 0.951 395 R CB -0.400 29.824 30.300 -0.127 0.000 0.851 395 R HN 0.342 nan 8.270 nan 0.000 0.434 396 D N 0.048 120.459 120.400 0.017 0.000 2.224 396 D HA -0.041 4.603 4.640 0.006 0.000 0.205 396 D C 1.616 177.938 176.300 0.037 0.000 0.965 396 D CA 1.203 55.243 54.000 0.067 0.000 0.852 396 D CB -0.067 40.764 40.800 0.051 0.000 0.947 396 D HN 0.379 nan 8.370 nan 0.000 0.494 397 A N 0.416 123.158 122.820 -0.131 0.000 1.968 397 A HA -0.077 4.246 4.320 0.006 0.000 0.217 397 A C 2.084 179.783 177.584 0.191 0.000 1.169 397 A CA 0.946 52.986 52.037 0.005 0.000 0.638 397 A CB -0.318 18.526 19.000 -0.260 0.000 0.812 397 A HN 0.118 nan 8.150 nan 0.000 0.446 398 M N -0.159 119.605 119.600 0.273 0.000 2.132 398 M HA -0.065 4.419 4.480 0.006 0.000 0.263 398 M C 2.275 178.626 176.300 0.084 0.000 1.065 398 M CA 2.021 57.473 55.300 0.253 0.000 1.122 398 M CB -0.548 32.269 32.600 0.362 0.000 1.365 398 M HN 0.376 nan 8.290 nan 0.000 0.411 399 S N -0.316 115.460 115.700 0.127 0.000 2.368 399 S HA -0.096 4.378 4.470 0.006 0.000 0.225 399 S C 2.031 176.706 174.600 0.126 0.000 1.030 399 S CA 1.535 59.819 58.200 0.141 0.000 0.999 399 S CB -0.543 62.795 63.200 0.230 0.000 0.844 399 S HN 0.619 nan 8.310 nan 0.000 0.459 400 A N 0.747 123.653 122.820 0.144 0.000 1.898 400 A HA 0.039 4.363 4.320 0.006 0.000 0.216 400 A C 2.341 179.979 177.584 0.090 0.000 1.181 400 A CA 1.609 53.766 52.037 0.201 0.000 0.620 400 A CB -1.021 18.203 19.000 0.374 0.000 0.819 400 A HN 0.446 nan 8.150 nan 0.000 0.442 401 V N -0.369 119.441 119.914 -0.173 0.000 2.255 401 V HA -0.262 3.862 4.120 0.006 0.000 0.247 401 V C 2.584 178.588 176.094 -0.150 0.000 1.051 401 V CA 2.198 64.315 62.300 -0.304 0.000 1.018 401 V CB -0.813 30.818 31.823 -0.321 0.000 0.641 401 V HN 0.377 nan 8.190 nan 0.000 0.445 402 V N 0.613 120.475 119.914 -0.086 0.000 2.307 402 V HA -0.156 3.968 4.120 0.006 0.000 0.245 402 V C 2.616 178.606 176.094 -0.173 0.000 1.045 402 V CA 2.197 64.438 62.300 -0.097 0.000 1.024 402 V CB -1.353 30.484 31.823 0.023 0.000 0.651 402 V HN 0.617 nan 8.190 nan 0.000 0.449 403 G N -0.388 108.393 108.800 -0.031 0.000 2.421 403 G HA2 -0.249 3.715 3.960 0.006 0.000 0.216 403 G HA3 -0.249 3.715 3.960 0.006 0.000 0.216 403 G C 1.247 176.078 174.900 -0.115 0.000 1.171 403 G CA 1.066 46.160 45.100 -0.009 0.000 0.775 403 G HN 0.498 nan 8.290 nan 0.000 0.543 404 D N -0.295 120.047 120.400 -0.097 0.000 2.097 404 D HA -0.086 4.557 4.640 0.006 0.000 0.197 404 D C 2.117 178.114 176.300 -0.504 0.000 0.984 404 D CA 1.262 55.173 54.000 -0.149 0.000 0.826 404 D CB -0.426 40.446 40.800 0.120 0.000 0.973 404 D HN 0.419 nan 8.370 nan 0.000 0.460 405 H N 0.624 119.125 119.070 -0.948 0.000 2.395 405 H HA 0.065 4.624 4.556 0.005 0.000 0.299 405 H C 1.391 176.336 175.328 -0.639 0.000 1.070 405 H CA 1.459 56.778 56.048 -1.215 0.000 1.356 405 H CB 0.115 29.064 29.762 -1.354 0.000 1.401 405 H HN -0.001 nan 8.280 nan 0.000 0.524 406 N N -0.870 117.389 118.700 -0.735 0.000 2.415 406 N HA 0.029 4.773 4.740 0.006 0.000 0.174 406 N C 1.047 176.380 175.510 -0.295 0.000 1.048 406 N CA 0.981 53.582 53.050 -0.748 0.000 0.895 406 N CB 1.280 38.690 38.487 -1.795 0.000 1.036 406 N HN 0.259 nan 8.380 nan 0.000 0.449 407 V N -0.443 119.316 119.914 -0.258 0.000 3.449 407 V HA 0.063 4.187 4.120 0.006 0.000 0.208 407 V C 2.151 178.205 176.094 -0.067 0.000 1.269 407 V CA 0.155 62.423 62.300 -0.053 0.000 1.301 407 V CB -0.162 31.685 31.823 0.040 0.000 1.306 407 V HN -0.194 nan 8.190 nan 0.000 0.531 408 V N 0.222 120.095 119.914 -0.067 0.000 2.287 408 V HA -0.306 3.817 4.120 0.006 0.000 0.248 408 V C 2.499 178.560 176.094 -0.056 0.000 1.053 408 V CA 2.676 64.949 62.300 -0.046 0.000 1.027 408 V CB -0.762 31.062 31.823 0.003 0.000 0.646 408 V HN 0.684 nan 8.190 nan 0.000 0.447 409 c N -0.641 117.920 118.600 -0.066 0.000 2.486 409 c HA 0.024 4.597 4.570 0.006 0.000 0.279 409 c C 0.595 174.660 174.090 -0.041 0.000 1.302 409 c CA 0.788 57.110 56.329 -0.011 0.000 1.720 409 c CB -1.797 40.744 42.510 0.052 0.000 2.030 409 c HN 0.449 nan 8.230 nan 0.000 0.490 410 P HA -0.108 nan 4.420 nan 0.000 0.216 410 P C 1.740 178.981 177.300 -0.098 0.000 1.153 410 P CA 1.524 64.558 63.100 -0.110 0.000 0.858 410 P CB -0.152 31.455 31.700 -0.155 0.000 0.789 411 V N -0.140 119.715 119.914 -0.097 0.000 2.358 411 V HA -0.251 3.873 4.120 0.006 0.000 0.246 411 V C 2.444 178.446 176.094 -0.153 0.000 1.047 411 V CA 2.213 64.438 62.300 -0.124 0.000 1.035 411 V CB -1.698 30.045 31.823 -0.133 0.000 0.658 411 V HN 0.104 nan 8.190 nan 0.000 0.452 412 A N -0.327 122.420 122.820 -0.121 0.000 1.883 412 A HA -0.347 3.976 4.320 0.006 0.000 0.217 412 A C 2.207 179.768 177.584 -0.038 0.000 1.186 412 A CA 2.410 54.389 52.037 -0.096 0.000 0.624 412 A CB -0.639 18.356 19.000 -0.007 0.000 0.822 412 A HN 0.595 nan 8.150 nan 0.000 0.444 413 Q N -0.700 119.092 119.800 -0.014 0.000 2.045 413 Q HA -0.202 4.141 4.340 0.006 0.000 0.206 413 Q C 1.908 177.895 176.000 -0.020 0.000 0.991 413 Q CA 2.090 57.895 55.803 0.004 0.000 0.851 413 Q CB -0.464 28.270 28.738 -0.006 0.000 0.911 413 Q HN 0.524 nan 8.270 nan 0.000 0.418 414 L N 0.262 121.444 121.223 -0.068 0.000 1.989 414 L HA -0.127 4.217 4.340 0.006 0.000 0.211 414 L C 2.247 179.061 176.870 -0.092 0.000 1.071 414 L CA 2.397 57.183 54.840 -0.090 0.000 0.749 414 L CB -1.139 40.847 42.059 -0.121 0.000 0.890 414 L HN 0.334 nan 8.230 nan 0.000 0.431 415 A N -0.545 122.185 122.820 -0.150 0.000 1.892 415 A HA -0.167 4.157 4.320 0.006 0.000 0.218 415 A C 2.348 179.967 177.584 0.059 0.000 1.188 415 A CA 1.960 53.872 52.037 -0.209 0.000 0.631 415 A CB -1.725 16.877 19.000 -0.664 0.000 0.822 415 A HN 0.565 nan 8.150 nan 0.000 0.447 416 G N -0.840 108.057 108.800 0.162 0.000 2.421 416 G HA2 -0.212 3.752 3.960 0.006 0.000 0.216 416 G HA3 -0.212 3.752 3.960 0.006 0.000 0.216 416 G C 1.669 176.664 174.900 0.158 0.000 1.171 416 G CA 0.860 46.122 45.100 0.271 0.000 0.775 416 G HN 0.405 nan 8.290 nan 0.000 0.543 417 R N -0.220 120.341 120.500 0.102 0.000 2.075 417 R HA 0.070 4.413 4.340 0.006 0.000 0.232 417 R C 2.521 178.904 176.300 0.140 0.000 1.126 417 R CA 0.454 56.619 56.100 0.108 0.000 0.963 417 R CB -1.256 29.098 30.300 0.089 0.000 0.858 417 R HN 0.321 nan 8.270 nan 0.000 0.435 418 L N 0.708 121.972 121.223 0.069 0.000 2.046 418 L HA -0.058 4.286 4.340 0.006 0.000 0.208 418 L C 2.416 179.365 176.870 0.132 0.000 1.077 418 L CA 1.910 56.776 54.840 0.043 0.000 0.747 418 L CB -1.145 40.834 42.059 -0.135 0.000 0.896 418 L HN 0.156 nan 8.230 nan 0.000 0.432 419 A N -0.736 122.166 122.820 0.136 0.000 1.858 419 A HA -0.144 4.180 4.320 0.006 0.000 0.216 419 A C 2.394 180.046 177.584 0.114 0.000 1.190 419 A CA 1.698 53.819 52.037 0.140 0.000 0.617 419 A CB -1.024 18.099 19.000 0.204 0.000 0.827 419 A HN 0.382 nan 8.150 nan 0.000 0.443 420 A N -1.486 121.404 122.820 0.116 0.000 2.186 420 A HA -0.110 4.214 4.320 0.006 0.000 0.219 420 A C 1.656 179.297 177.584 0.095 0.000 1.159 420 A CA 1.597 53.688 52.037 0.090 0.000 0.680 420 A CB -0.322 18.730 19.000 0.086 0.000 0.787 420 A HN 0.643 nan 8.150 nan 0.000 0.467 421 Q N -2.143 117.741 119.800 0.141 0.000 2.155 421 Q HA 0.395 4.738 4.340 0.006 0.000 0.273 421 Q C 0.699 176.789 176.000 0.149 0.000 0.857 421 Q CA 0.334 56.221 55.803 0.140 0.000 1.116 421 Q CB 0.719 29.572 28.738 0.192 0.000 1.209 421 Q HN 0.752 nan 8.270 nan 0.000 0.460 422 G N -0.149 108.723 108.800 0.121 0.000 2.176 422 G HA2 -0.258 3.705 3.960 0.006 0.000 0.232 422 G HA3 -0.258 3.705 3.960 0.006 0.000 0.232 422 G C 0.240 175.213 174.900 0.121 0.000 0.986 422 G CA -0.121 45.039 45.100 0.101 0.000 0.643 422 G HN 0.519 nan 8.290 nan 0.000 0.522 423 A N -0.051 122.860 122.820 0.153 0.000 2.340 423 A HA 0.777 5.101 4.320 0.006 0.000 0.268 423 A C 0.562 178.189 177.584 0.072 0.000 1.100 423 A CA 0.195 52.307 52.037 0.126 0.000 0.803 423 A CB 0.444 19.507 19.000 0.105 0.000 1.043 423 A HN 0.690 nan 8.150 nan 0.000 0.488 424 R N 1.594 122.133 120.500 0.064 0.000 2.216 424 R HA 0.482 4.825 4.340 0.006 0.000 0.332 424 R C -1.425 174.872 176.300 -0.005 0.000 1.056 424 R CA 0.008 56.111 56.100 0.004 0.000 0.901 424 R CB 0.373 30.702 30.300 0.048 0.000 1.039 424 R HN 0.454 nan 8.270 nan 0.000 0.456 425 V N 6.084 125.927 119.914 -0.117 0.000 2.483 425 V HA 0.355 4.478 4.120 0.006 0.000 0.297 425 V C -1.062 174.905 176.094 -0.213 0.000 1.027 425 V CA -0.825 61.438 62.300 -0.062 0.000 0.855 425 V CB 1.284 33.134 31.823 0.046 0.000 0.995 425 V HN 0.651 nan 8.190 nan 0.000 0.424 426 Y N 2.359 122.634 120.300 -0.042 0.000 2.387 426 Y HA 0.812 5.365 4.550 0.005 0.000 0.336 426 Y C 0.415 176.416 175.900 0.169 0.000 1.067 426 Y CA -0.566 57.511 58.100 -0.039 0.000 1.114 426 Y CB 2.136 40.193 38.460 -0.673 0.000 1.208 426 Y HN 0.750 nan 8.280 nan 0.000 0.458 427 A N 2.978 126.232 122.820 0.723 0.000 2.449 427 A HA 0.808 5.131 4.320 0.006 0.000 0.302 427 A C -1.936 176.034 177.584 0.643 0.000 1.048 427 A CA -0.701 51.607 52.037 0.452 0.000 0.708 427 A CB 0.907 20.013 19.000 0.176 0.000 1.274 427 A HN 0.752 nan 8.150 nan 0.000 0.410 428 Y N -0.045 120.476 120.300 0.369 0.000 2.588 428 Y HA 0.795 5.347 4.550 0.004 0.000 0.343 428 Y C -1.205 174.839 175.900 0.241 0.000 1.065 428 Y CA -1.570 56.688 58.100 0.264 0.000 1.038 428 Y CB 1.385 40.001 38.460 0.260 0.000 1.297 428 Y HN 0.716 nan 8.280 nan 0.000 0.467 429 I N 4.022 124.862 120.570 0.451 0.000 2.436 429 I HA 0.458 4.632 4.170 0.006 0.000 0.289 429 I C -1.755 174.699 176.117 0.561 0.000 1.010 429 I CA -1.018 60.512 61.300 0.384 0.000 1.098 429 I CB 0.998 39.149 38.000 0.252 0.000 1.266 429 I HN 0.765 nan 8.210 nan 0.000 0.434 430 F N 7.355 127.610 119.950 0.508 0.000 2.411 430 F HA 0.388 4.919 4.527 0.007 0.000 0.350 430 F C 0.557 176.526 175.800 0.283 0.000 1.114 430 F CA 0.165 58.414 58.000 0.415 0.000 1.135 430 F CB 0.952 40.231 39.000 0.464 0.000 1.120 430 F HN 0.559 nan 8.300 nan 0.000 0.495 431 E N 2.957 122.970 120.200 -0.311 0.000 2.715 431 E HA -0.021 4.332 4.350 0.006 0.000 0.224 431 E C -0.967 175.478 176.600 -0.258 0.000 0.962 431 E CA -0.173 56.142 56.400 -0.143 0.000 1.145 431 E CB 0.326 29.989 29.700 -0.062 0.000 1.083 431 E HN 0.588 nan 8.360 nan 0.000 0.506 432 H N 1.354 120.001 119.070 -0.705 0.000 2.488 432 H HA 0.252 4.811 4.556 0.005 0.000 0.322 432 H C -0.326 174.938 175.328 -0.106 0.000 1.078 432 H CA -0.585 55.178 56.048 -0.475 0.000 1.260 432 H CB 0.645 29.954 29.762 -0.754 0.000 1.425 432 H HN -0.136 nan 8.280 nan 0.000 0.471 433 R N 4.308 124.425 120.500 -0.637 0.000 2.265 433 R HA 0.506 4.850 4.340 0.006 0.000 0.314 433 R C -0.660 175.361 176.300 -0.465 0.000 1.053 433 R CA -0.551 55.349 56.100 -0.332 0.000 0.931 433 R CB 0.501 30.698 30.300 -0.171 0.000 1.024 433 R HN 0.780 nan 8.270 nan 0.000 0.457 434 A N 3.143 126.023 122.820 0.099 0.000 2.540 434 A HA 0.010 4.334 4.320 0.006 0.000 0.239 434 A C 1.332 179.003 177.584 0.145 0.000 1.061 434 A CA 0.477 52.760 52.037 0.411 0.000 0.758 434 A CB 0.286 19.611 19.000 0.541 0.000 0.991 434 A HN 1.019 nan 8.150 nan 0.000 0.502 435 S N 1.391 117.212 115.700 0.203 0.000 2.447 435 S HA -0.147 4.326 4.470 0.006 0.000 0.233 435 S C 1.343 175.924 174.600 -0.031 0.000 1.006 435 S CA 1.555 59.798 58.200 0.071 0.000 0.957 435 S CB -0.750 62.516 63.200 0.110 0.000 0.773 435 S HN 1.195 nan 8.310 nan 0.000 0.507 436 T N -0.770 113.730 114.554 -0.089 0.000 3.107 436 T HA 0.342 4.695 4.350 0.006 0.000 0.249 436 T C 0.427 175.039 174.700 -0.147 0.000 1.096 436 T CA -0.540 61.448 62.100 -0.188 0.000 1.012 436 T CB -0.484 68.153 68.868 -0.385 0.000 0.977 436 T HN 0.234 nan 8.240 nan 0.000 0.527 437 L N 4.072 125.240 121.223 -0.090 0.000 2.514 437 L HA 0.222 4.566 4.340 0.006 0.000 0.280 437 L C 1.466 178.233 176.870 -0.172 0.000 1.223 437 L CA 0.988 55.746 54.840 -0.137 0.000 0.864 437 L CB 0.756 42.736 42.059 -0.133 0.000 1.118 437 L HN 0.457 nan 8.230 nan 0.000 0.494 438 T N -0.865 113.527 114.554 -0.271 0.000 3.044 438 T HA 0.159 4.512 4.350 0.006 0.000 0.260 438 T C 0.223 174.781 174.700 -0.236 0.000 1.019 438 T CA -0.516 61.419 62.100 -0.275 0.000 0.921 438 T CB -0.357 68.267 68.868 -0.407 0.000 1.053 438 T HN 0.395 nan 8.240 nan 0.000 0.533 439 W N 3.524 124.738 121.300 -0.142 0.000 2.184 439 W HA 0.432 5.096 4.660 0.007 0.000 0.338 439 W C -2.006 174.365 176.519 -0.247 0.000 1.257 439 W CA -2.180 55.054 57.345 -0.184 0.000 1.243 439 W CB 0.247 29.491 29.460 -0.361 0.000 1.122 439 W HN -0.021 nan 8.180 nan 0.000 0.585 440 P HA -0.008 nan 4.420 nan 0.000 0.270 440 P C 0.500 177.691 177.300 -0.181 0.000 1.223 440 P CA 0.027 63.061 63.100 -0.109 0.000 0.785 440 P CB 0.901 32.556 31.700 -0.076 0.000 0.923 441 L N 0.395 121.589 121.223 -0.049 0.000 2.127 441 L HA -0.132 4.211 4.340 0.006 0.000 0.211 441 L C 2.501 179.381 176.870 0.017 0.000 1.089 441 L CA 1.408 56.239 54.840 -0.015 0.000 0.757 441 L CB -0.883 41.202 42.059 0.044 0.000 0.899 441 L HN 0.606 nan 8.230 nan 0.000 0.434 442 W N -1.299 120.026 121.300 0.042 0.000 2.465 442 W HA -0.149 4.514 4.660 0.005 0.000 0.268 442 W C 1.695 178.250 176.519 0.059 0.000 1.242 442 W CA 0.473 57.849 57.345 0.051 0.000 1.248 442 W CB -0.827 28.669 29.460 0.060 0.000 1.118 442 W HN 0.179 nan 8.180 nan 0.000 0.587 443 M N 1.460 120.667 119.600 -0.656 0.000 2.630 443 M HA 0.101 4.584 4.480 0.006 0.000 0.254 443 M C 1.856 178.018 176.300 -0.230 0.000 1.092 443 M CA 1.464 56.376 55.300 -0.646 0.000 1.087 443 M CB -0.620 31.439 32.600 -0.902 0.000 1.453 443 M HN 0.210 nan 8.290 nan 0.000 0.509 444 G N 0.509 109.245 108.800 -0.106 0.000 2.629 444 G HA2 -0.305 3.658 3.960 0.006 0.000 0.313 444 G HA3 -0.305 3.658 3.960 0.006 0.000 0.313 444 G C -0.067 174.818 174.900 -0.024 0.000 1.217 444 G CA 0.020 45.108 45.100 -0.019 0.000 0.994 444 G HN 0.248 nan 8.290 nan 0.000 0.549 445 V N 3.767 123.710 119.914 0.048 0.000 2.257 445 V HA 0.473 4.597 4.120 0.006 0.000 0.269 445 V C -1.901 174.292 176.094 0.165 0.000 1.040 445 V CA -0.835 61.547 62.300 0.137 0.000 0.813 445 V CB 1.271 33.236 31.823 0.236 0.000 1.065 445 V HN 0.515 nan 8.190 nan 0.000 0.457 446 P HA 0.213 nan 4.420 nan 0.000 0.276 446 P C -0.067 177.384 177.300 0.252 0.000 1.244 446 P CA -0.359 62.773 63.100 0.053 0.000 0.801 446 P CB 0.370 31.981 31.700 -0.148 0.000 1.006 447 H N -0.282 118.915 119.070 0.212 0.000 2.929 447 H HA 0.177 4.736 4.556 0.005 0.000 0.358 447 H C 1.066 176.417 175.328 0.039 0.000 1.111 447 H CA 0.014 56.142 56.048 0.132 0.000 1.409 447 H CB -0.401 29.399 29.762 0.064 0.000 1.373 447 H HN 0.789 nan 8.280 nan 0.000 0.610 448 G N 1.872 110.798 108.800 0.211 0.000 2.253 448 G HA2 -0.348 3.615 3.960 0.006 0.000 0.251 448 G HA3 -0.348 3.615 3.960 0.006 0.000 0.251 448 G C 0.418 175.332 174.900 0.023 0.000 0.998 448 G CA 0.510 45.601 45.100 -0.016 0.000 0.621 448 G HN 0.700 nan 8.290 nan 0.000 0.524 449 Y N 1.660 122.162 120.300 0.337 0.000 2.471 449 Y HA 0.224 4.777 4.550 0.005 0.000 0.286 449 Y C 2.410 178.486 175.900 0.293 0.000 1.188 449 Y CA 1.028 59.349 58.100 0.368 0.000 1.286 449 Y CB 0.399 39.086 38.460 0.380 0.000 1.072 449 Y HN 0.519 nan 8.280 nan 0.000 0.517 450 E N 0.338 120.549 120.200 0.019 0.000 2.318 450 E HA -0.077 4.276 4.350 0.006 0.000 0.193 450 E C 1.621 178.154 176.600 -0.112 0.000 0.998 450 E CA 0.697 56.764 56.400 -0.555 0.000 0.859 450 E CB -0.381 28.648 29.700 -1.118 0.000 0.812 450 E HN 0.536 nan 8.360 nan 0.000 0.492 451 I N 2.840 123.443 120.570 0.055 0.000 2.127 451 I HA -0.311 3.863 4.170 0.006 0.000 0.241 451 I C 2.695 178.829 176.117 0.028 0.000 1.075 451 I CA 2.138 63.498 61.300 0.100 0.000 1.334 451 I CB -0.527 37.604 38.000 0.218 0.000 1.040 451 I HN 0.193 nan 8.210 nan 0.000 0.405 452 E N 0.983 121.139 120.200 -0.073 0.000 2.209 452 E HA -0.242 4.112 4.350 0.006 0.000 0.196 452 E C 2.005 178.349 176.600 -0.426 0.000 0.993 452 E CA 1.495 57.734 56.400 -0.267 0.000 0.819 452 E CB -0.519 28.998 29.700 -0.304 0.000 0.745 452 E HN 0.452 nan 8.360 nan 0.000 0.477 453 F N 1.316 121.166 119.950 -0.167 0.000 2.118 453 F HA 0.077 4.609 4.527 0.009 0.000 0.293 453 F C 2.386 177.957 175.800 -0.381 0.000 1.102 453 F CA 0.718 58.551 58.000 -0.278 0.000 1.247 453 F CB -0.301 38.592 39.000 -0.178 0.000 1.017 453 F HN -0.107 nan 8.300 nan 0.000 0.475 454 I N -1.016 119.394 120.570 -0.265 0.000 2.315 454 I HA -0.321 3.852 4.170 0.006 0.000 0.251 454 I C 1.792 177.675 176.117 -0.389 0.000 1.125 454 I CA 1.485 62.471 61.300 -0.522 0.000 1.392 454 I CB -0.472 37.047 38.000 -0.802 0.000 1.065 454 I HN 0.052 nan 8.210 nan 0.000 0.424 455 F N 0.535 120.303 119.950 -0.304 0.000 2.789 455 F HA 0.207 4.737 4.527 0.006 0.000 0.300 455 F C 1.833 177.500 175.800 -0.221 0.000 1.132 455 F CA 0.692 58.561 58.000 -0.219 0.000 1.404 455 F CB -0.029 38.834 39.000 -0.229 0.000 1.114 455 F HN 0.162 nan 8.300 nan 0.000 0.584 456 G N 0.271 108.916 108.800 -0.258 0.000 2.160 456 G HA2 -0.307 3.657 3.960 0.006 0.000 0.244 456 G HA3 -0.307 3.657 3.960 0.006 0.000 0.244 456 G C 0.986 175.261 174.900 -1.042 0.000 1.022 456 G CA 0.349 45.155 45.100 -0.489 0.000 0.741 456 G HN 0.297 nan 8.290 nan 0.000 0.508 457 L N 0.387 121.059 121.223 -0.918 0.000 2.043 457 L HA 0.008 4.351 4.340 0.006 0.000 0.212 457 L C 0.509 176.791 176.870 -0.980 0.000 1.075 457 L CA 2.807 57.040 54.840 -1.012 0.000 0.752 457 L CB -1.036 40.698 42.059 -0.541 0.000 0.891 457 L HN 0.221 nan 8.230 nan 0.000 0.432 458 P HA -0.164 nan 4.420 nan 0.000 0.222 458 P C 1.592 178.615 177.300 -0.462 0.000 1.142 458 P CA 0.839 63.327 63.100 -1.020 0.000 0.788 458 P CB 0.023 31.166 31.700 -0.928 0.000 0.767 459 L N -1.132 119.772 121.223 -0.531 0.000 2.456 459 L HA -0.058 4.285 4.340 0.006 0.000 0.224 459 L C 0.890 177.652 176.870 -0.180 0.000 1.148 459 L CA 1.257 55.908 54.840 -0.314 0.000 0.825 459 L CB -1.258 40.623 42.059 -0.298 0.000 0.937 459 L HN -0.017 nan 8.230 nan 0.000 0.450 460 D N -0.604 119.659 120.400 -0.227 0.000 2.339 460 D HA 0.114 4.758 4.640 0.006 0.000 0.241 460 D C -1.662 174.647 176.300 0.014 0.000 1.183 460 D CA -2.130 51.866 54.000 -0.007 0.000 0.859 460 D CB 1.677 42.523 40.800 0.075 0.000 1.067 460 D HN -0.049 nan 8.370 nan 0.000 0.484 461 P HA -0.144 nan 4.420 nan 0.000 0.216 461 P C 1.210 178.527 177.300 0.028 0.000 1.150 461 P CA 1.069 64.185 63.100 0.027 0.000 0.837 461 P CB 0.072 31.785 31.700 0.021 0.000 0.786 462 S N -1.302 114.413 115.700 0.025 0.000 2.547 462 S HA -0.041 4.433 4.470 0.006 0.000 0.235 462 S C 1.648 176.250 174.600 0.003 0.000 0.980 462 S CA 0.681 58.887 58.200 0.011 0.000 0.941 462 S CB -1.377 61.827 63.200 0.008 0.000 0.763 462 S HN 0.122 nan 8.310 nan 0.000 0.532 463 L N 0.371 121.614 121.223 0.035 0.000 2.509 463 L HA 0.188 4.531 4.340 0.006 0.000 0.222 463 L C 0.454 177.269 176.870 -0.092 0.000 1.123 463 L CA 0.070 54.925 54.840 0.024 0.000 0.856 463 L CB -0.540 41.621 42.059 0.171 0.000 0.985 463 L HN 0.239 nan 8.230 nan 0.000 0.456 464 N N -2.458 116.218 118.700 -0.040 0.000 2.967 464 N HA -0.205 4.539 4.740 0.006 0.000 0.241 464 N C -0.321 175.118 175.510 -0.118 0.000 0.983 464 N CA 0.706 53.699 53.050 -0.094 0.000 0.918 464 N CB -1.617 36.782 38.487 -0.146 0.000 1.109 464 N HN 0.233 nan 8.380 nan 0.000 0.567 465 Y N 1.266 121.551 120.300 -0.026 0.000 2.426 465 Y HA 0.137 4.691 4.550 0.006 0.000 0.344 465 Y C 1.970 177.893 175.900 0.039 0.000 1.256 465 Y CA 0.594 58.706 58.100 0.019 0.000 1.451 465 Y CB 0.361 38.818 38.460 -0.004 0.000 1.342 465 Y HN 0.092 nan 8.280 nan 0.000 0.600 466 T N -2.398 112.301 114.554 0.242 0.000 2.868 466 T HA 0.059 4.412 4.350 0.006 0.000 0.292 466 T C 1.147 175.934 174.700 0.145 0.000 1.028 466 T CA -0.321 61.873 62.100 0.156 0.000 1.059 466 T CB 0.983 69.933 68.868 0.138 0.000 0.991 466 T HN 0.735 nan 8.240 nan 0.000 0.531 467 T N 1.698 116.305 114.554 0.088 0.000 2.699 467 T HA -0.119 4.234 4.350 0.006 0.000 0.268 467 T C 1.766 176.506 174.700 0.066 0.000 1.036 467 T CA 1.984 64.122 62.100 0.063 0.000 1.147 467 T CB -0.460 68.432 68.868 0.040 0.000 0.862 467 T HN 0.762 nan 8.240 nan 0.000 0.446 468 E N 1.108 121.345 120.200 0.060 0.000 2.118 468 E HA -0.103 4.250 4.350 0.006 0.000 0.195 468 E C 2.232 178.881 176.600 0.082 0.000 0.992 468 E CA 1.051 57.472 56.400 0.034 0.000 0.804 468 E CB -0.223 29.467 29.700 -0.016 0.000 0.741 468 E HN 0.586 nan 8.360 nan 0.000 0.458 469 E N 0.101 120.395 120.200 0.158 0.000 2.106 469 E HA -0.161 4.192 4.350 0.006 0.000 0.192 469 E C 2.145 178.884 176.600 0.233 0.000 0.984 469 E CA 0.649 57.246 56.400 0.328 0.000 0.806 469 E CB -0.045 29.986 29.700 0.553 0.000 0.750 469 E HN 0.096 nan 8.360 nan 0.000 0.458 470 R N 0.745 121.309 120.500 0.107 0.000 2.073 470 R HA -0.158 4.186 4.340 0.006 0.000 0.234 470 R C 2.217 178.526 176.300 0.015 0.000 1.134 470 R CA 1.281 57.382 56.100 0.003 0.000 0.952 470 R CB -0.189 30.110 30.300 -0.003 0.000 0.850 470 R HN 0.136 nan 8.270 nan 0.000 0.433 471 I N 0.133 120.737 120.570 0.055 0.000 2.252 471 I HA -0.250 3.924 4.170 0.006 0.000 0.245 471 I C 2.126 178.300 176.117 0.095 0.000 1.102 471 I CA 0.838 62.168 61.300 0.050 0.000 1.385 471 I CB -0.300 37.727 38.000 0.045 0.000 1.064 471 I HN 0.171 nan 8.210 nan 0.000 0.414 472 F N 1.860 121.784 119.950 -0.042 0.000 2.134 472 F HA -0.202 4.328 4.527 0.005 0.000 0.299 472 F C 2.403 178.209 175.800 0.009 0.000 1.097 472 F CA 1.201 59.171 58.000 -0.049 0.000 1.264 472 F CB -0.714 38.204 39.000 -0.137 0.000 1.001 472 F HN 0.028 nan 8.300 nan 0.000 0.479 473 A N 0.174 122.939 122.820 -0.091 0.000 1.883 473 A HA -0.250 4.073 4.320 0.006 0.000 0.217 473 A C 2.183 179.637 177.584 -0.218 0.000 1.186 473 A CA 1.869 53.780 52.037 -0.211 0.000 0.624 473 A CB -0.986 17.896 19.000 -0.196 0.000 0.822 473 A HN 0.589 nan 8.150 nan 0.000 0.444 474 Q N -0.953 118.761 119.800 -0.143 0.000 2.096 474 Q HA -0.205 4.139 4.340 0.006 0.000 0.204 474 Q C 2.407 178.313 176.000 -0.157 0.000 0.982 474 Q CA 1.669 57.398 55.803 -0.124 0.000 0.850 474 Q CB -0.194 28.498 28.738 -0.077 0.000 0.901 474 Q HN 0.614 nan 8.270 nan 0.000 0.422 475 R N 0.220 120.619 120.500 -0.168 0.000 2.083 475 R HA -0.128 4.216 4.340 0.006 0.000 0.237 475 R C 2.291 178.334 176.300 -0.429 0.000 1.137 475 R CA 1.203 57.125 56.100 -0.297 0.000 0.951 475 R CB -0.218 29.995 30.300 -0.146 0.000 0.851 475 R HN 0.256 nan 8.270 nan 0.000 0.434 476 L N -0.158 120.911 121.223 -0.257 0.000 2.056 476 L HA -0.174 4.170 4.340 0.006 0.000 0.207 476 L C 2.506 179.359 176.870 -0.029 0.000 1.078 476 L CA 1.262 56.054 54.840 -0.080 0.000 0.749 476 L CB -0.313 41.533 42.059 -0.353 0.000 0.901 476 L HN 0.256 nan 8.230 nan 0.000 0.433 477 M N -0.574 118.935 119.600 -0.151 0.000 2.149 477 M HA -0.215 4.268 4.480 0.006 0.000 0.261 477 M C 2.290 178.596 176.300 0.009 0.000 1.064 477 M CA 1.704 56.945 55.300 -0.098 0.000 1.102 477 M CB -0.318 32.204 32.600 -0.130 0.000 1.369 477 M HN 0.106 nan 8.290 nan 0.000 0.408 478 K N -0.345 120.024 120.400 -0.052 0.000 2.026 478 K HA -0.154 4.170 4.320 0.006 0.000 0.208 478 K C 1.933 178.588 176.600 0.092 0.000 1.048 478 K CA 1.562 57.826 56.287 -0.038 0.000 0.929 478 K CB -0.391 32.026 32.500 -0.138 0.000 0.713 478 K HN 0.275 nan 8.250 nan 0.000 0.439 479 Y N 0.163 120.594 120.300 0.220 0.000 2.081 479 Y HA -0.259 4.296 4.550 0.008 0.000 0.280 479 Y C 2.351 178.377 175.900 0.210 0.000 1.163 479 Y CA 0.910 59.166 58.100 0.260 0.000 1.135 479 Y CB -0.885 37.874 38.460 0.499 0.000 0.970 479 Y HN 0.245 nan 8.280 nan 0.000 0.498 480 W N 0.537 121.913 121.300 0.127 0.000 2.355 480 W HA -0.225 4.438 4.660 0.005 0.000 0.309 480 W C 2.513 179.034 176.519 0.004 0.000 1.206 480 W CA 2.290 59.645 57.345 0.018 0.000 1.284 480 W CB -0.634 28.762 29.460 -0.108 0.000 1.145 480 W HN 0.245 nan 8.180 nan 0.000 0.502 481 T N -2.317 112.344 114.554 0.180 0.000 2.985 481 T HA -0.113 4.241 4.350 0.006 0.000 0.266 481 T C 1.380 176.103 174.700 0.038 0.000 1.076 481 T CA 1.109 63.245 62.100 0.061 0.000 1.135 481 T CB -0.528 68.353 68.868 0.022 0.000 0.890 481 T HN -0.098 nan 8.240 nan 0.000 0.480 482 N N 1.124 119.862 118.700 0.064 0.000 2.120 482 N HA -0.000 4.743 4.740 0.006 0.000 0.188 482 N C 1.323 176.817 175.510 -0.026 0.000 1.024 482 N CA 1.035 54.099 53.050 0.023 0.000 0.852 482 N CB -0.747 37.771 38.487 0.051 0.000 1.003 482 N HN 0.499 nan 8.380 nan 0.000 0.424 483 F N 1.443 121.300 119.950 -0.155 0.000 2.171 483 F HA -0.088 4.443 4.527 0.006 0.000 0.300 483 F C 2.082 177.794 175.800 -0.148 0.000 1.090 483 F CA 1.317 59.173 58.000 -0.240 0.000 1.293 483 F CB -0.291 38.467 39.000 -0.402 0.000 1.013 483 F HN 0.039 nan 8.300 nan 0.000 0.486 484 A N 0.551 123.283 122.820 -0.147 0.000 1.898 484 A HA -0.120 4.204 4.320 0.006 0.000 0.216 484 A C 2.332 179.800 177.584 -0.192 0.000 1.181 484 A CA 1.410 53.341 52.037 -0.177 0.000 0.620 484 A CB -0.636 18.340 19.000 -0.041 0.000 0.819 484 A HN 0.434 nan 8.150 nan 0.000 0.442 485 R N -0.941 119.478 120.500 -0.135 0.000 2.092 485 R HA -0.084 4.260 4.340 0.006 0.000 0.231 485 R C 1.857 178.070 176.300 -0.145 0.000 1.119 485 R CA 1.864 57.901 56.100 -0.105 0.000 0.970 485 R CB -0.199 30.066 30.300 -0.059 0.000 0.864 485 R HN 0.719 nan 8.270 nan 0.000 0.440 486 T N -5.836 108.596 114.554 -0.202 0.000 3.041 486 T HA 0.238 4.591 4.350 0.006 0.000 0.276 486 T C 1.129 175.693 174.700 -0.227 0.000 0.948 486 T CA 0.362 62.360 62.100 -0.170 0.000 0.885 486 T CB 1.336 70.141 68.868 -0.104 0.000 1.175 486 T HN 0.317 nan 8.240 nan 0.000 0.529 487 G N 1.299 109.825 108.800 -0.457 0.000 2.148 487 G HA2 -0.176 3.787 3.960 0.006 0.000 0.254 487 G HA3 -0.176 3.787 3.960 0.006 0.000 0.254 487 G C -0.348 174.439 174.900 -0.188 0.000 0.981 487 G CA 0.255 45.037 45.100 -0.530 0.000 0.670 487 G HN 0.800 nan 8.290 nan 0.000 0.528 488 D N -0.662 119.620 120.400 -0.197 0.000 2.686 488 D HA 0.448 5.091 4.640 0.006 0.000 0.249 488 D C -1.242 174.899 176.300 -0.264 0.000 1.260 488 D CA -1.679 52.190 54.000 -0.219 0.000 0.910 488 D CB 2.062 42.824 40.800 -0.064 0.000 1.323 488 D HN 0.001 nan 8.370 nan 0.000 0.561 489 P HA -0.063 nan 4.420 nan 0.000 0.226 489 P C 0.050 177.359 177.300 0.015 0.000 1.153 489 P CA 0.218 63.133 63.100 -0.308 0.000 0.777 489 P CB 0.404 31.582 31.700 -0.871 0.000 0.794 490 N N 1.518 120.197 118.700 -0.034 0.000 2.508 490 N HA 0.021 4.764 4.740 0.006 0.000 0.264 490 N C 0.049 175.624 175.510 0.108 0.000 1.216 490 N CA 0.283 53.410 53.050 0.128 0.000 0.943 490 N CB 0.521 39.079 38.487 0.117 0.000 1.113 490 N HN 0.012 nan 8.380 nan 0.000 0.447 491 D N 1.782 122.262 120.400 0.134 0.000 2.325 491 D HA 0.143 4.787 4.640 0.006 0.000 0.251 491 D C -1.507 174.834 176.300 0.069 0.000 1.196 491 D CA -1.672 52.378 54.000 0.083 0.000 0.866 491 D CB 1.364 42.209 40.800 0.075 0.000 1.101 491 D HN 0.256 nan 8.370 nan 0.000 0.476 492 P HA -0.050 nan 4.420 nan 0.000 0.216 492 P C -0.008 177.316 177.300 0.041 0.000 1.153 492 P CA 0.837 63.962 63.100 0.043 0.000 0.844 492 P CB 0.138 31.856 31.700 0.029 0.000 0.787 493 R N 0.857 121.378 120.500 0.035 0.000 3.657 493 R HA 0.412 4.756 4.340 0.006 0.000 0.220 493 R C -0.399 175.923 176.300 0.037 0.000 1.548 493 R CA -0.128 55.991 56.100 0.032 0.000 1.465 493 R CB -0.596 29.718 30.300 0.024 0.000 1.330 493 R HN 0.035 nan 8.270 nan 0.000 0.707 494 D N 0.430 120.857 120.400 0.045 0.000 2.234 494 D HA -0.045 4.599 4.640 0.006 0.000 0.164 494 D C -1.060 175.278 176.300 0.063 0.000 1.026 494 D CA -0.158 53.872 54.000 0.051 0.000 0.924 494 D CB 1.569 42.402 40.800 0.055 0.000 3.628 494 D HN 0.190 nan 8.370 nan 0.000 0.486 495 S N 1.669 117.404 115.700 0.057 0.000 2.817 495 S HA 0.173 4.646 4.470 0.006 0.000 0.262 495 S C 1.684 176.320 174.600 0.059 0.000 1.051 495 S CA 0.688 58.926 58.200 0.064 0.000 1.185 495 S CB 0.548 63.783 63.200 0.058 0.000 1.152 495 S HN 0.566 nan 8.310 nan 0.000 0.653 496 K N 1.235 121.666 120.400 0.052 0.000 2.160 496 K HA 0.076 4.399 4.320 0.006 0.000 0.206 496 K C 0.851 177.485 176.600 0.057 0.000 1.047 496 K CA 1.616 57.932 56.287 0.047 0.000 0.930 496 K CB -0.805 31.719 32.500 0.039 0.000 0.720 496 K HN 0.436 nan 8.250 nan 0.000 0.450 497 S N 1.332 117.076 115.700 0.074 0.000 2.616 497 S HA 0.515 4.989 4.470 0.006 0.000 0.277 497 S C -2.497 172.167 174.600 0.107 0.000 1.234 497 S CA -1.440 56.817 58.200 0.096 0.000 1.028 497 S CB 1.649 64.924 63.200 0.125 0.000 0.988 497 S HN 0.347 nan 8.310 nan 0.000 0.522 498 P HA 0.243 nan 4.420 nan 0.000 0.274 498 P C -0.674 176.714 177.300 0.147 0.000 1.237 498 P CA -0.527 62.634 63.100 0.103 0.000 0.793 498 P CB 0.410 32.155 31.700 0.074 0.000 0.977 499 Q N 0.230 120.118 119.800 0.147 0.000 2.227 499 Q HA 0.227 4.571 4.340 0.006 0.000 0.245 499 Q C -0.803 175.355 176.000 0.263 0.000 0.926 499 Q CA -0.063 55.864 55.803 0.206 0.000 0.895 499 Q CB 0.949 29.795 28.738 0.180 0.000 1.230 499 Q HN 0.566 nan 8.270 nan 0.000 0.450 500 W N 5.560 126.925 121.300 0.108 0.000 2.283 500 W HA 0.340 5.003 4.660 0.006 0.000 0.317 500 W C -2.462 174.209 176.519 0.253 0.000 1.042 500 W CA -2.542 54.882 57.345 0.131 0.000 1.348 500 W CB 0.557 30.040 29.460 0.038 0.000 1.216 500 W HN 0.362 nan 8.180 nan 0.000 0.404 501 P HA 0.222 nan 4.420 nan 0.000 0.278 501 P C -2.532 174.983 177.300 0.359 0.000 1.238 501 P CA -1.550 61.773 63.100 0.371 0.000 0.794 501 P CB 0.693 32.525 31.700 0.219 0.000 0.955 502 P HA -0.046 nan 4.420 nan 0.000 0.266 502 P C -0.491 176.820 177.300 0.019 0.000 1.193 502 P CA 0.408 63.321 63.100 -0.312 0.000 0.770 502 P CB 0.013 31.519 31.700 -0.322 0.000 0.836 503 Y N 2.855 123.117 120.300 -0.063 0.000 2.377 503 Y HA 0.333 4.890 4.550 0.010 0.000 0.330 503 Y C 0.330 176.230 175.900 -0.001 0.000 1.108 503 Y CA 0.526 58.649 58.100 0.039 0.000 1.308 503 Y CB 0.302 38.813 38.460 0.084 0.000 1.216 503 Y HN 0.372 nan 8.280 nan 0.000 0.518 504 T N 0.323 114.602 114.554 -0.458 0.000 2.906 504 T HA 0.234 4.587 4.350 0.006 0.000 0.295 504 T C 0.917 175.332 174.700 -0.475 0.000 1.075 504 T CA -0.237 61.674 62.100 -0.315 0.000 1.005 504 T CB 1.310 70.082 68.868 -0.160 0.000 1.136 504 T HN 0.661 nan 8.240 nan 0.000 0.498 505 T N -0.589 113.840 114.554 -0.207 0.000 2.788 505 T HA -0.043 4.311 4.350 0.006 0.000 0.268 505 T C 2.282 176.913 174.700 -0.115 0.000 1.044 505 T CA 1.026 63.048 62.100 -0.129 0.000 1.139 505 T CB -0.856 68.005 68.868 -0.011 0.000 0.867 505 T HN 0.844 nan 8.240 nan 0.000 0.454 506 A N 1.901 124.663 122.820 -0.097 0.000 1.858 506 A HA 0.381 4.704 4.320 0.006 0.000 0.216 506 A C 2.673 180.211 177.584 -0.075 0.000 1.190 506 A CA 1.974 53.973 52.037 -0.063 0.000 0.617 506 A CB -1.191 17.783 19.000 -0.043 0.000 0.827 506 A HN 0.816 nan 8.150 nan 0.000 0.443 507 A N -2.737 120.013 122.820 -0.116 0.000 2.167 507 A HA 0.344 4.667 4.320 0.006 0.000 0.208 507 A C 0.891 178.404 177.584 -0.118 0.000 1.198 507 A CA 0.802 52.786 52.037 -0.088 0.000 0.863 507 A CB -0.101 18.864 19.000 -0.058 0.000 0.904 507 A HN 0.508 nan 8.150 nan 0.000 0.484 508 Q N 0.060 119.668 119.800 -0.320 0.000 2.435 508 Q HA -0.219 4.124 4.340 0.006 0.000 0.312 508 Q C -0.707 175.329 176.000 0.060 0.000 1.333 508 Q CA 0.687 56.235 55.803 -0.425 0.000 0.883 508 Q CB -1.575 27.133 28.738 -0.050 0.000 1.170 508 Q HN 0.829 nan 8.270 nan 0.000 0.443 509 Q N 0.313 120.149 119.800 0.060 0.000 2.293 509 Q HA 0.525 4.869 4.340 0.006 0.000 0.251 509 Q C -0.368 175.920 176.000 0.480 0.000 0.930 509 Q CA -0.117 55.810 55.803 0.207 0.000 0.893 509 Q CB 0.714 29.516 28.738 0.106 0.000 1.215 509 Q HN 0.367 nan 8.270 nan 0.000 0.425 510 Y N -1.868 118.571 120.300 0.231 0.000 2.689 510 Y HA 0.754 5.315 4.550 0.019 0.000 0.333 510 Y C -1.153 174.748 175.900 0.002 0.000 1.190 510 Y CA -1.513 56.707 58.100 0.200 0.000 1.063 510 Y CB 0.589 39.161 38.460 0.187 0.000 1.294 510 Y HN 0.345 nan 8.280 nan 0.000 0.466 511 V N -0.718 119.150 119.914 -0.076 0.000 2.914 511 V HA 0.816 4.940 4.120 0.006 0.000 0.314 511 V C -0.280 175.750 176.094 -0.105 0.000 1.084 511 V CA -0.719 61.381 62.300 -0.334 0.000 0.963 511 V CB 1.266 32.604 31.823 -0.808 0.000 1.025 511 V HN 1.153 nan 8.190 nan 0.000 0.432 512 S N 3.549 119.186 115.700 -0.105 0.000 2.523 512 S HA 0.707 5.180 4.470 0.006 0.000 0.275 512 S C -0.423 174.155 174.600 -0.037 0.000 1.281 512 S CA -0.647 57.554 58.200 0.001 0.000 1.050 512 S CB 0.546 63.736 63.200 -0.015 0.000 0.937 512 S HN 0.744 nan 8.310 nan 0.000 0.492 513 L N 3.996 125.248 121.223 0.049 0.000 2.277 513 L HA 0.531 4.875 4.340 0.006 0.000 0.284 513 L C -0.220 176.564 176.870 -0.144 0.000 1.028 513 L CA -0.492 54.410 54.840 0.103 0.000 0.835 513 L CB 0.018 42.274 42.059 0.327 0.000 1.215 513 L HN 0.923 nan 8.230 nan 0.000 0.425 514 N N 2.100 120.615 118.700 -0.307 0.000 3.439 514 N HA 0.357 5.100 4.740 0.006 0.000 0.313 514 N C 0.239 175.167 175.510 -0.969 0.000 1.598 514 N CA -0.977 51.630 53.050 -0.738 0.000 0.830 514 N CB 0.632 38.886 38.487 -0.390 0.000 1.849 514 N HN 0.198 nan 8.380 nan 0.000 0.598 515 L N -0.898 119.825 121.223 -0.833 0.000 2.275 515 L HA 0.071 4.415 4.340 0.006 0.000 0.215 515 L C 0.485 177.172 176.870 -0.306 0.000 1.119 515 L CA 1.021 55.474 54.840 -0.644 0.000 0.790 515 L CB -0.487 41.294 42.059 -0.463 0.000 0.919 515 L HN 0.386 nan 8.230 nan 0.000 0.443 516 K N 0.090 120.352 120.400 -0.229 0.000 2.126 516 K HA 0.266 4.590 4.320 0.006 0.000 0.257 516 K C -2.157 174.406 176.600 -0.062 0.000 1.007 516 K CA -1.900 54.318 56.287 -0.115 0.000 0.928 516 K CB 0.201 32.645 32.500 -0.094 0.000 1.013 516 K HN -0.219 nan 8.250 nan 0.000 0.473 517 P HA -0.076 nan 4.420 nan 0.000 0.267 517 P C -0.312 177.001 177.300 0.020 0.000 1.201 517 P CA -0.037 63.081 63.100 0.030 0.000 0.775 517 P CB 0.386 32.103 31.700 0.029 0.000 0.854 518 L N 1.558 122.814 121.223 0.056 0.000 2.615 518 L HA -0.092 4.251 4.340 0.006 0.000 0.284 518 L C 1.096 177.940 176.870 -0.044 0.000 1.237 518 L CA 1.006 55.839 54.840 -0.011 0.000 0.905 518 L CB -0.202 41.852 42.059 -0.009 0.000 1.149 518 L HN 0.537 nan 8.230 nan 0.000 0.499 519 E N 3.090 123.236 120.200 -0.089 0.000 2.210 519 E HA 0.413 4.766 4.350 0.006 0.000 0.266 519 E C -1.452 175.060 176.600 -0.148 0.000 0.883 519 E CA -0.789 55.557 56.400 -0.091 0.000 0.761 519 E CB 2.076 31.730 29.700 -0.077 0.000 1.156 519 E HN 0.295 nan 8.360 nan 0.000 0.412 520 V N 5.015 124.852 119.914 -0.129 0.000 2.432 520 V HA 0.418 4.541 4.120 0.006 0.000 0.275 520 V C 0.215 176.168 176.094 -0.234 0.000 1.043 520 V CA -0.292 61.904 62.300 -0.173 0.000 0.925 520 V CB 1.017 32.792 31.823 -0.080 0.000 0.985 520 V HN 0.679 nan 8.190 nan 0.000 0.466 521 R N 3.911 124.137 120.500 -0.456 0.000 2.854 521 R HA 0.755 5.099 4.340 0.006 0.000 0.271 521 R C -0.889 175.142 176.300 -0.449 0.000 0.996 521 R CA -1.064 54.728 56.100 -0.514 0.000 0.961 521 R CB 2.486 32.352 30.300 -0.724 0.000 1.182 521 R HN 0.573 nan 8.270 nan 0.000 0.479 522 R N -0.200 120.223 120.500 -0.127 0.000 2.637 522 R HA 0.499 4.843 4.340 0.006 0.000 0.291 522 R C -0.694 175.763 176.300 0.262 0.000 0.963 522 R CA -0.157 55.986 56.100 0.071 0.000 0.901 522 R CB 2.179 32.502 30.300 0.039 0.000 1.160 522 R HN 0.890 nan 8.270 nan 0.000 0.457 523 G N 2.152 111.165 108.800 0.354 0.000 3.391 523 G HA2 -0.213 3.751 3.960 0.006 0.000 0.675 523 G HA3 -0.213 3.751 3.960 0.006 0.000 0.675 523 G C -1.185 173.954 174.900 0.399 0.000 0.899 523 G CA -0.879 44.422 45.100 0.335 0.000 0.755 523 G HN 0.347 nan 8.290 nan 0.000 0.475 524 L N 4.507 125.874 121.223 0.241 0.000 2.328 524 L HA 0.493 4.837 4.340 0.006 0.000 0.280 524 L C 1.580 178.483 176.870 0.055 0.000 1.111 524 L CA -0.474 54.340 54.840 -0.043 0.000 0.909 524 L CB -0.217 41.731 42.059 -0.186 0.000 1.277 524 L HN 0.712 nan 8.230 nan 0.000 0.433 525 R N 2.949 123.510 120.500 0.102 0.000 3.225 525 R HA -0.274 4.069 4.340 0.006 0.000 0.245 525 R C 1.298 177.702 176.300 0.174 0.000 0.928 525 R CA 0.700 56.891 56.100 0.152 0.000 0.632 525 R CB -1.986 28.411 30.300 0.162 0.000 1.038 525 R HN 0.750 nan 8.270 nan 0.000 0.461 526 A N 0.526 123.447 122.820 0.169 0.000 1.908 526 A HA -0.239 4.085 4.320 0.006 0.000 0.218 526 A C 2.082 179.763 177.584 0.163 0.000 1.181 526 A CA 1.191 53.326 52.037 0.163 0.000 0.627 526 A CB -0.081 19.010 19.000 0.151 0.000 0.818 526 A HN 0.385 nan 8.150 nan 0.000 0.445 527 Q N -0.547 119.348 119.800 0.158 0.000 1.993 527 Q HA -0.120 4.224 4.340 0.006 0.000 0.202 527 Q C 2.318 178.443 176.000 0.208 0.000 0.984 527 Q CA 2.200 58.099 55.803 0.160 0.000 0.837 527 Q CB -1.326 27.494 28.738 0.138 0.000 0.902 527 Q HN 0.639 nan 8.270 nan 0.000 0.423 528 T N 0.766 115.476 114.554 0.261 0.000 2.720 528 T HA -0.157 4.196 4.350 0.006 0.000 0.268 528 T C 2.045 176.980 174.700 0.392 0.000 1.037 528 T CA 1.426 63.728 62.100 0.336 0.000 1.144 528 T CB -0.390 68.725 68.868 0.412 0.000 0.864 528 T HN 0.329 nan 8.240 nan 0.000 0.444 529 c N 1.523 120.334 118.600 0.352 0.000 2.432 529 c HA 0.198 4.771 4.570 0.006 0.000 0.280 529 c C 3.129 177.384 174.090 0.275 0.000 1.353 529 c CA 0.009 56.553 56.329 0.357 0.000 1.766 529 c CB -1.465 41.189 42.510 0.241 0.000 1.924 529 c HN 0.646 nan 8.230 nan 0.000 0.509 530 A N 0.031 122.979 122.820 0.214 0.000 1.972 530 A HA -0.172 4.151 4.320 0.006 0.000 0.219 530 A C 1.853 179.534 177.584 0.161 0.000 1.169 530 A CA 1.461 53.596 52.037 0.165 0.000 0.635 530 A CB -0.725 18.358 19.000 0.138 0.000 0.810 530 A HN 0.568 nan 8.150 nan 0.000 0.446 531 F N -0.894 119.040 119.950 -0.028 0.000 2.102 531 F HA -0.141 4.388 4.527 0.004 0.000 0.298 531 F C 1.898 177.648 175.800 -0.083 0.000 1.105 531 F CA 1.663 59.562 58.000 -0.167 0.000 1.239 531 F CB -0.473 38.148 39.000 -0.631 0.000 0.991 531 F HN 0.369 nan 8.300 nan 0.000 0.474 532 W N 0.530 121.785 121.300 -0.075 0.000 2.453 532 W HA -0.086 4.576 4.660 0.003 0.000 0.289 532 W C 2.226 178.679 176.519 -0.109 0.000 1.215 532 W CA 0.856 58.112 57.345 -0.148 0.000 1.297 532 W CB -0.495 29.025 29.460 0.099 0.000 1.113 532 W HN -0.046 nan 8.180 nan 0.000 0.551 533 N N -0.119 118.696 118.700 0.192 0.000 2.305 533 N HA 0.011 4.755 4.740 0.006 0.000 0.179 533 N C 1.576 177.116 175.510 0.051 0.000 1.019 533 N CA 1.081 54.199 53.050 0.112 0.000 0.869 533 N CB -0.369 38.188 38.487 0.118 0.000 1.000 533 N HN 0.183 nan 8.380 nan 0.000 0.431 534 R N -0.869 119.665 120.500 0.056 0.000 2.087 534 R HA 0.206 4.549 4.340 0.006 0.000 0.213 534 R C 1.738 178.059 176.300 0.034 0.000 1.137 534 R CA 0.255 56.386 56.100 0.052 0.000 1.022 534 R CB -0.380 29.972 30.300 0.088 0.000 0.920 534 R HN 0.068 nan 8.270 nan 0.000 0.451 535 F N 1.506 121.374 119.950 -0.137 0.000 2.094 535 F HA -0.022 4.509 4.527 0.006 0.000 0.291 535 F C 1.971 177.613 175.800 -0.264 0.000 1.109 535 F CA 1.082 58.974 58.000 -0.180 0.000 1.221 535 F CB -0.362 38.542 39.000 -0.159 0.000 1.014 535 F HN -0.119 nan 8.300 nan 0.000 0.473 536 L N 1.047 121.937 121.223 -0.556 0.000 2.043 536 L HA -0.175 4.169 4.340 0.006 0.000 0.212 536 L C -0.519 176.104 176.870 -0.412 0.000 1.075 536 L CA 2.300 56.762 54.840 -0.630 0.000 0.752 536 L CB -2.197 39.488 42.059 -0.623 0.000 0.891 536 L HN 0.101 nan 8.230 nan 0.000 0.432 537 P HA -0.219 nan 4.420 nan 0.000 0.216 537 P C 1.418 178.586 177.300 -0.220 0.000 1.157 537 P CA 1.770 64.765 63.100 -0.176 0.000 0.880 537 P CB -0.057 31.576 31.700 -0.111 0.000 0.791 538 K N -1.184 119.037 120.400 -0.298 0.000 2.148 538 K HA -0.091 4.233 4.320 0.006 0.000 0.204 538 K C 1.857 178.254 176.600 -0.337 0.000 1.050 538 K CA 0.901 57.016 56.287 -0.286 0.000 0.942 538 K CB -0.796 31.543 32.500 -0.267 0.000 0.724 538 K HN 0.091 nan 8.250 nan 0.000 0.446 539 L N 0.953 121.863 121.223 -0.521 0.000 2.465 539 L HA -0.050 4.294 4.340 0.006 0.000 0.224 539 L C 1.512 178.256 176.870 -0.210 0.000 1.145 539 L CA 1.096 55.705 54.840 -0.384 0.000 0.834 539 L CB -0.088 41.680 42.059 -0.485 0.000 0.944 539 L HN 0.046 nan 8.230 nan 0.000 0.451 540 L N -2.259 118.849 121.223 -0.193 0.000 2.416 540 L HA 0.126 4.470 4.340 0.006 0.000 0.216 540 L C 2.279 179.094 176.870 -0.092 0.000 1.098 540 L CA 0.832 55.603 54.840 -0.115 0.000 0.840 540 L CB -0.901 41.103 42.059 -0.092 0.000 0.981 540 L HN 0.106 nan 8.230 nan 0.000 0.462 541 S N 0.511 116.148 115.700 -0.106 0.000 2.436 541 S HA -0.087 4.387 4.470 0.006 0.000 0.208 541 S C 1.457 176.019 174.600 -0.063 0.000 1.063 541 S CA 1.105 59.258 58.200 -0.077 0.000 1.120 541 S CB -0.549 62.603 63.200 -0.079 0.000 1.053 541 S HN 0.381 nan 8.310 nan 0.000 0.407 542 A N 2.596 125.376 122.820 -0.066 0.000 2.863 542 A HA 0.346 4.670 4.320 0.006 0.000 0.246 542 A C 0.748 178.305 177.584 -0.044 0.000 1.772 542 A CA -0.050 51.959 52.037 -0.047 0.000 1.456 542 A CB -1.610 17.367 19.000 -0.038 0.000 0.930 542 A HN 0.508 nan 8.150 nan 0.000 0.630 543 T N 0.000 114.527 114.554 -0.045 0.000 3.816 543 T HA 0.000 4.354 4.350 0.006 0.000 0.228 543 T CA 0.000 62.077 62.100 -0.038 0.000 1.349 543 T CB 0.000 68.853 68.868 -0.024 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658