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 2jgg_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 LARLVGcXXX 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 SA 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 0.000 176.614 176.600 0.023 0.000 1.382 1 E CA 0.000 56.417 56.400 0.029 0.000 0.976 1 E CB 0.000 29.716 29.700 0.027 0.000 0.812 2 G N 0.795 109.607 108.800 0.019 0.000 5.359 2 G HA2 -0.403 3.561 3.960 0.007 0.000 0.333 2 G HA3 -0.403 3.561 3.960 0.007 0.000 0.333 2 G C 0.978 175.888 174.900 0.017 0.000 1.365 2 G CA 1.146 46.255 45.100 0.016 0.000 1.008 2 G HN 0.310 nan 8.290 nan 0.000 0.816 3 R N 1.618 122.129 120.500 0.017 0.000 2.397 3 R HA 0.458 4.802 4.340 0.007 0.000 0.241 3 R C 0.807 177.119 176.300 0.020 0.000 0.914 3 R CA 0.393 56.503 56.100 0.017 0.000 1.071 3 R CB 0.326 30.633 30.300 0.013 0.000 1.116 3 R HN 0.606 nan 8.270 nan 0.000 0.524 4 E N 0.930 121.144 120.200 0.024 0.000 2.422 4 E HA -0.063 4.292 4.350 0.007 0.000 0.260 4 E C -0.464 176.158 176.600 0.036 0.000 1.108 4 E CA 0.096 56.514 56.400 0.029 0.000 0.943 4 E CB 0.431 30.152 29.700 0.036 0.000 0.961 4 E HN 0.004 nan 8.360 nan 0.000 0.443 5 D N 2.611 123.038 120.400 0.046 0.000 2.434 5 D HA -0.035 4.609 4.640 0.007 0.000 0.252 5 D C -1.590 174.745 176.300 0.058 0.000 1.185 5 D CA -1.404 52.635 54.000 0.065 0.000 0.886 5 D CB 0.930 41.789 40.800 0.098 0.000 1.148 5 D HN 0.181 nan 8.370 nan 0.000 0.483 6 P HA -0.118 nan 4.420 nan 0.000 0.225 6 P C 0.849 178.160 177.300 0.018 0.000 1.148 6 P CA 0.635 63.751 63.100 0.027 0.000 0.779 6 P CB 0.472 32.179 31.700 0.011 0.000 0.780 7 Q N -0.736 119.064 119.800 -0.000 0.000 2.365 7 Q HA 0.191 4.535 4.340 0.007 0.000 0.203 7 Q C 1.500 177.546 176.000 0.076 0.000 0.929 7 Q CA 0.265 56.036 55.803 -0.054 0.000 0.948 7 Q CB 0.147 28.686 28.738 -0.331 0.000 1.043 7 Q HN 0.401 nan 8.270 nan 0.000 0.505 8 L N -0.571 120.729 121.223 0.127 0.000 2.858 8 L HA 0.248 4.593 4.340 0.007 0.000 0.251 8 L C -0.086 176.957 176.870 0.287 0.000 1.149 8 L CA 0.041 54.986 54.840 0.174 0.000 0.955 8 L CB 0.763 42.854 42.059 0.054 0.000 1.289 8 L HN -0.001 nan 8.230 nan 0.000 0.542 9 L N 0.666 122.017 121.223 0.212 0.000 2.272 9 L HA 0.472 4.816 4.340 0.007 0.000 0.289 9 L C -0.716 176.230 176.870 0.127 0.000 1.032 9 L CA -0.231 54.722 54.840 0.188 0.000 0.810 9 L CB 1.764 43.885 42.059 0.105 0.000 1.205 9 L HN -0.258 nan 8.230 nan 0.000 0.422 10 V N 3.685 123.662 119.914 0.105 0.000 2.789 10 V HA 0.514 4.638 4.120 0.007 0.000 0.311 10 V C -0.407 175.631 176.094 -0.093 0.000 1.073 10 V CA -0.829 61.381 62.300 -0.149 0.000 0.921 10 V CB 2.466 33.939 31.823 -0.583 0.000 1.009 10 V HN 0.677 nan 8.190 nan 0.000 0.426 11 R N 2.632 123.039 120.500 -0.155 0.000 2.346 11 R HA 0.792 5.136 4.340 0.007 0.000 0.311 11 R C -0.840 175.369 176.300 -0.152 0.000 0.983 11 R CA -0.329 55.713 56.100 -0.097 0.000 0.880 11 R CB 1.708 31.950 30.300 -0.097 0.000 1.100 11 R HN 0.693 nan 8.270 nan 0.000 0.453 12 V N 1.938 121.828 119.914 -0.039 0.000 3.103 12 V HA 0.481 4.605 4.120 0.007 0.000 0.318 12 V C 1.192 177.229 176.094 -0.094 0.000 1.114 12 V CA -1.057 61.217 62.300 -0.044 0.000 1.020 12 V CB 1.673 33.623 31.823 0.213 0.000 1.085 12 V HN 0.852 nan 8.190 nan 0.000 0.446 13 R N 1.864 122.289 120.500 -0.125 0.000 2.174 13 R HA -0.096 4.248 4.340 0.007 0.000 0.253 13 R C 1.700 177.899 176.300 -0.168 0.000 1.165 13 R CA 2.436 58.460 56.100 -0.127 0.000 0.984 13 R CB -1.131 29.102 30.300 -0.112 0.000 0.873 13 R HN 1.064 nan 8.270 nan 0.000 0.456 14 G N -2.228 106.448 108.800 -0.208 0.000 2.939 14 G HA2 0.424 4.389 3.960 0.007 0.000 0.210 14 G HA3 0.424 4.389 3.960 0.007 0.000 0.210 14 G C 0.316 174.332 174.900 -1.474 0.000 1.160 14 G CA 0.292 45.026 45.100 -0.610 0.000 0.770 14 G HN 0.730 nan 8.290 nan 0.000 0.543 15 G N -0.949 107.268 108.800 -0.971 0.000 2.320 15 G HA2 0.117 4.081 3.960 0.007 0.000 0.274 15 G HA3 0.117 4.081 3.960 0.007 0.000 0.274 15 G C -1.241 173.562 174.900 -0.162 0.000 1.324 15 G CA -0.955 43.639 45.100 -0.844 0.000 0.957 15 G HN 0.266 nan 8.290 nan 0.000 0.481 16 Q N -0.479 119.385 119.800 0.108 0.000 2.235 16 Q HA 0.698 5.043 4.340 0.007 0.000 0.250 16 Q C -0.551 175.738 176.000 0.482 0.000 0.909 16 Q CA -0.250 55.711 55.803 0.263 0.000 0.910 16 Q CB 1.639 30.480 28.738 0.171 0.000 1.223 16 Q HN 0.443 nan 8.270 nan 0.000 0.432 17 L N 1.814 123.257 121.223 0.366 0.000 2.386 17 L HA 0.578 4.922 4.340 0.007 0.000 0.271 17 L C -0.515 176.578 176.870 0.372 0.000 0.993 17 L CA -0.712 54.369 54.840 0.401 0.000 0.819 17 L CB 2.103 44.459 42.059 0.496 0.000 1.294 17 L HN 0.444 nan 8.230 nan 0.000 0.414 18 R N 1.425 122.092 120.500 0.278 0.000 2.265 18 R HA 0.636 4.980 4.340 0.007 0.000 0.328 18 R C -0.070 176.280 176.300 0.084 0.000 0.969 18 R CA -0.281 55.936 56.100 0.194 0.000 0.832 18 R CB 1.459 31.817 30.300 0.098 0.000 1.139 18 R HN 0.826 nan 8.270 nan 0.000 0.457 19 G N 3.384 112.112 108.800 -0.120 0.000 2.531 19 G HA2 0.432 4.396 3.960 0.007 0.000 0.281 19 G HA3 0.432 4.396 3.960 0.007 0.000 0.281 19 G C -0.930 173.713 174.900 -0.429 0.000 1.382 19 G CA -0.706 43.967 45.100 -0.712 0.000 1.045 19 G HN 0.600 nan 8.290 nan 0.000 0.533 20 I N -0.934 119.354 120.570 -0.469 0.000 2.582 20 I HA 0.464 4.638 4.170 0.007 0.000 0.292 20 I C -0.106 175.890 176.117 -0.201 0.000 1.066 20 I CA -1.077 60.066 61.300 -0.261 0.000 1.053 20 I CB 2.085 39.942 38.000 -0.239 0.000 1.241 20 I HN 0.398 nan 8.210 nan 0.000 0.421 21 R N 8.032 128.460 120.500 -0.119 0.000 2.210 21 R HA 0.467 4.811 4.340 0.007 0.000 0.338 21 R C -1.629 174.578 176.300 -0.154 0.000 1.062 21 R CA -0.320 55.703 56.100 -0.129 0.000 0.902 21 R CB 0.364 30.564 30.300 -0.167 0.000 1.050 21 R HN 0.655 nan 8.270 nan 0.000 0.461 22 L N 3.484 124.631 121.223 -0.127 0.000 2.344 22 L HA 0.431 4.775 4.340 0.007 0.000 0.272 22 L C 0.262 177.066 176.870 -0.111 0.000 1.035 22 L CA -0.843 53.938 54.840 -0.097 0.000 0.807 22 L CB 1.695 43.732 42.059 -0.036 0.000 1.237 22 L HN 0.409 nan 8.230 nan 0.000 0.442 23 K N 2.139 122.481 120.400 -0.096 0.000 2.263 23 K HA 0.616 4.940 4.320 0.007 0.000 0.272 23 K C -0.923 175.630 176.600 -0.078 0.000 1.033 23 K CA -0.218 56.015 56.287 -0.089 0.000 0.884 23 K CB 1.557 34.014 32.500 -0.073 0.000 1.107 23 K HN 0.722 nan 8.250 nan 0.000 0.460 24 A N 5.237 128.014 122.820 -0.071 0.000 2.288 24 A HA 0.557 4.881 4.320 0.007 0.000 0.328 24 A C -1.983 175.617 177.584 0.027 0.000 1.123 24 A CA -1.545 50.462 52.037 -0.051 0.000 0.861 24 A CB 0.657 19.600 19.000 -0.095 0.000 1.272 24 A HN 0.466 nan 8.150 nan 0.000 0.490 25 P HA -0.129 nan 4.420 nan 0.000 0.213 25 P C 1.338 178.667 177.300 0.049 0.000 1.170 25 P CA 2.198 65.349 63.100 0.085 0.000 0.902 25 P CB 0.104 31.874 31.700 0.117 0.000 0.789 26 G N -2.149 106.684 108.800 0.054 0.000 3.026 26 G HA2 0.417 4.382 3.960 0.007 0.000 0.208 26 G HA3 0.417 4.382 3.960 0.007 0.000 0.208 26 G C 0.551 175.466 174.900 0.025 0.000 1.169 26 G CA 0.479 45.600 45.100 0.036 0.000 0.788 26 G HN 0.644 nan 8.290 nan 0.000 0.533 27 G N -0.477 108.330 108.800 0.012 0.000 2.346 27 G HA2 0.269 4.233 3.960 0.007 0.000 0.294 27 G HA3 0.269 4.233 3.960 0.007 0.000 0.294 27 G C -3.400 171.478 174.900 -0.038 0.000 1.294 27 G CA -0.547 44.548 45.100 -0.008 0.000 0.962 27 G HN 0.126 nan 8.290 nan 0.000 0.508 28 P HA 0.627 nan 4.420 nan 0.000 0.287 28 P C -0.157 177.109 177.300 -0.057 0.000 1.270 28 P CA -0.470 62.527 63.100 -0.171 0.000 0.844 28 P CB 1.813 33.245 31.700 -0.448 0.000 1.068 29 V N -1.730 118.167 119.914 -0.028 0.000 3.074 29 V HA 0.714 4.838 4.120 0.007 0.000 0.314 29 V C -0.362 175.844 176.094 0.188 0.000 1.117 29 V CA -0.943 61.441 62.300 0.139 0.000 1.014 29 V CB 1.681 33.594 31.823 0.151 0.000 1.057 29 V HN 0.444 nan 8.190 nan 0.000 0.438 30 S N 1.443 117.320 115.700 0.295 0.000 2.462 30 S HA 0.861 5.335 4.470 0.007 0.000 0.294 30 S C -0.033 174.615 174.600 0.080 0.000 1.144 30 S CA -0.048 58.287 58.200 0.225 0.000 1.088 30 S CB 1.228 64.651 63.200 0.372 0.000 1.009 30 S HN 1.530 nan 8.310 nan 0.000 0.484 31 A N 2.733 125.413 122.820 -0.234 0.000 2.356 31 A HA 0.817 5.141 4.320 0.007 0.000 0.310 31 A C -1.251 175.949 177.584 -0.639 0.000 1.075 31 A CA -0.619 51.152 52.037 -0.442 0.000 0.746 31 A CB 0.502 19.206 19.000 -0.492 0.000 1.221 31 A HN 0.689 nan 8.150 nan 0.000 0.443 32 F N 2.732 122.474 119.950 -0.346 0.000 2.434 32 F HA 0.479 5.010 4.527 0.007 0.000 0.367 32 F C -0.300 175.305 175.800 -0.326 0.000 1.093 32 F CA -0.264 57.612 58.000 -0.206 0.000 1.085 32 F CB 1.375 40.357 39.000 -0.030 0.000 1.322 32 F HN 0.367 nan 8.300 nan 0.000 0.452 33 L N 1.938 123.020 121.223 -0.235 0.000 2.334 33 L HA 0.755 5.099 4.340 0.007 0.000 0.276 33 L C 0.876 177.671 176.870 -0.126 0.000 1.014 33 L CA -1.153 53.511 54.840 -0.293 0.000 0.815 33 L CB 1.725 43.409 42.059 -0.625 0.000 1.268 33 L HN 0.768 nan 8.230 nan 0.000 0.428 34 G N 2.919 111.711 108.800 -0.014 0.000 2.314 34 G HA2 -0.254 3.710 3.960 0.007 0.000 0.292 34 G HA3 -0.254 3.710 3.960 0.007 0.000 0.292 34 G C -0.188 174.773 174.900 0.102 0.000 1.059 34 G CA -0.274 44.837 45.100 0.019 0.000 0.982 34 G HN 0.483 nan 8.290 nan 0.000 0.505 35 I N 2.128 122.748 120.570 0.082 0.000 2.337 35 I HA 0.212 4.387 4.170 0.007 0.000 0.291 35 I C -1.401 174.730 176.117 0.023 0.000 1.046 35 I CA -2.173 59.141 61.300 0.022 0.000 1.324 35 I CB 1.082 39.030 38.000 -0.087 0.000 1.409 35 I HN 0.017 nan 8.210 nan 0.000 0.494 36 P HA -0.012 nan 4.420 nan 0.000 0.271 36 P C -0.153 177.050 177.300 -0.161 0.000 1.226 36 P CA 0.150 63.044 63.100 -0.344 0.000 0.765 36 P CB 0.418 31.898 31.700 -0.366 0.000 0.835 37 F N 1.474 121.249 119.950 -0.293 0.000 2.724 37 F HA 0.684 5.215 4.527 0.007 0.000 0.306 37 F C 0.192 175.973 175.800 -0.032 0.000 1.100 37 F CA -0.614 57.289 58.000 -0.161 0.000 1.255 37 F CB 0.216 39.042 39.000 -0.290 0.000 1.072 37 F HN 0.307 nan 8.300 nan 0.000 0.589 38 A N 0.269 122.718 122.820 -0.619 0.000 2.556 38 A HA 0.576 4.900 4.320 0.007 0.000 0.294 38 A C -0.785 176.604 177.584 -0.326 0.000 1.091 38 A CA -0.765 51.042 52.037 -0.384 0.000 0.704 38 A CB 0.987 19.701 19.000 -0.477 0.000 1.300 38 A HN 0.064 nan 8.150 nan 0.000 0.406 39 E N 1.358 121.459 120.200 -0.165 0.000 2.414 39 E HA 0.193 4.547 4.350 0.007 0.000 0.263 39 E C -2.272 174.224 176.600 -0.174 0.000 1.000 39 E CA -1.280 55.043 56.400 -0.129 0.000 0.914 39 E CB -0.010 29.657 29.700 -0.055 0.000 0.948 39 E HN 0.228 nan 8.360 nan 0.000 0.444 40 P HA -0.043 nan 4.420 nan 0.000 0.258 40 P C -2.219 175.017 177.300 -0.107 0.000 1.172 40 P CA -0.532 62.486 63.100 -0.137 0.000 0.762 40 P CB -0.125 31.529 31.700 -0.075 0.000 0.764 41 P HA -0.001 nan 4.420 nan 0.000 0.226 41 P C -0.101 177.142 177.300 -0.094 0.000 1.783 41 P CA 0.152 63.198 63.100 -0.090 0.000 0.980 41 P CB -0.135 31.515 31.700 -0.083 0.000 1.967 42 V N -2.035 117.831 119.914 -0.081 0.000 3.093 42 V HA 0.867 4.991 4.120 0.007 0.000 0.320 42 V C 1.131 177.183 176.094 -0.070 0.000 1.093 42 V CA 0.276 62.527 62.300 -0.081 0.000 1.016 42 V CB 0.720 32.505 31.823 -0.062 0.000 1.096 42 V HN 0.535 nan 8.190 nan 0.000 0.452 43 G N 2.233 110.992 108.800 -0.068 0.000 2.665 43 G HA2 -0.414 3.550 3.960 0.007 0.000 0.326 43 G HA3 -0.414 3.550 3.960 0.007 0.000 0.326 43 G C 1.429 176.303 174.900 -0.044 0.000 1.231 43 G CA 2.268 47.339 45.100 -0.047 0.000 0.992 43 G HN 2.400 nan 8.290 nan 0.000 0.549 44 S N 0.446 116.132 115.700 -0.023 0.000 2.442 44 S HA -0.021 4.453 4.470 0.007 0.000 0.236 44 S C 2.103 176.698 174.600 -0.009 0.000 1.007 44 S CA 1.785 59.982 58.200 -0.006 0.000 0.965 44 S CB -0.154 63.048 63.200 0.003 0.000 0.773 44 S HN 0.719 nan 8.310 nan 0.000 0.504 45 R N 0.697 121.179 120.500 -0.031 0.000 2.297 45 R HA 0.245 4.589 4.340 0.007 0.000 0.197 45 R C 1.010 177.271 176.300 -0.065 0.000 0.943 45 R CA -0.186 55.895 56.100 -0.030 0.000 1.038 45 R CB -0.078 30.201 30.300 -0.034 0.000 0.957 45 R HN 0.393 nan 8.270 nan 0.000 0.484 46 R N 0.977 121.392 120.500 -0.142 0.000 2.537 46 R HA -0.180 4.164 4.340 0.007 0.000 0.281 46 R C -0.437 175.663 176.300 -0.333 0.000 0.988 46 R CA 0.795 56.686 56.100 -0.349 0.000 1.077 46 R CB 0.098 30.072 30.300 -0.544 0.000 0.932 46 R HN 0.156 nan 8.270 nan 0.000 0.409 47 F N -0.809 119.144 119.950 0.006 0.000 2.590 47 F HA -0.307 4.224 4.527 0.007 0.000 0.471 47 F C 0.245 176.026 175.800 -0.031 0.000 0.551 47 F CA 0.673 58.651 58.000 -0.037 0.000 1.228 47 F CB -1.489 37.478 39.000 -0.056 0.000 1.862 47 F HN 0.447 nan 8.300 nan 0.000 0.271 48 M N 1.402 121.064 119.600 0.102 0.000 2.291 48 M HA 0.366 4.850 4.480 0.007 0.000 0.324 48 M C -1.856 174.469 176.300 0.042 0.000 1.148 48 M CA -1.315 54.026 55.300 0.068 0.000 1.104 48 M CB 0.300 32.927 32.600 0.045 0.000 1.483 48 M HN -0.329 nan 8.290 nan 0.000 0.467 49 P HA 0.120 nan 4.420 nan 0.000 0.269 49 P C -2.433 174.891 177.300 0.041 0.000 1.217 49 P CA -0.496 62.633 63.100 0.050 0.000 0.783 49 P CB -0.442 31.298 31.700 0.066 0.000 0.898 50 P HA 0.275 nan 4.420 nan 0.000 0.281 50 P C -0.832 176.494 177.300 0.044 0.000 1.249 50 P CA -0.182 62.936 63.100 0.031 0.000 0.810 50 P CB 0.994 32.724 31.700 0.049 0.000 1.008 51 E N 2.127 122.339 120.200 0.020 0.000 2.183 51 E HA 0.387 4.741 4.350 0.007 0.000 0.271 51 E C -2.276 174.346 176.600 0.038 0.000 0.919 51 E CA -2.349 54.072 56.400 0.036 0.000 0.781 51 E CB 0.651 30.366 29.700 0.026 0.000 1.140 51 E HN 0.331 nan 8.360 nan 0.000 0.402 52 P HA -0.131 nan 4.420 nan 0.000 0.264 52 P C -0.802 176.552 177.300 0.090 0.000 1.179 52 P CA 0.120 63.289 63.100 0.114 0.000 0.763 52 P CB 0.388 32.163 31.700 0.126 0.000 0.806 53 K N 3.657 124.128 120.400 0.118 0.000 2.447 53 K HA 0.029 4.353 4.320 0.007 0.000 0.281 53 K C -0.048 176.647 176.600 0.159 0.000 1.031 53 K CA 0.307 56.665 56.287 0.118 0.000 1.019 53 K CB 0.079 32.688 32.500 0.182 0.000 0.918 53 K HN 0.185 nan 8.250 nan 0.000 0.476 54 R N 5.135 125.712 120.500 0.128 0.000 2.491 54 R HA 0.190 4.534 4.340 0.007 0.000 0.283 54 R C -2.117 174.284 176.300 0.168 0.000 1.072 54 R CA -1.361 54.808 56.100 0.115 0.000 1.048 54 R CB 0.236 30.587 30.300 0.085 0.000 0.983 54 R HN 0.575 nan 8.270 nan 0.000 0.450 55 P HA -0.033 nan 4.420 nan 0.000 0.267 55 P C -1.253 176.068 177.300 0.035 0.000 1.200 55 P CA 0.069 63.117 63.100 -0.086 0.000 0.772 55 P CB 0.317 31.912 31.700 -0.175 0.000 0.855 56 W N 1.058 122.391 121.300 0.054 0.000 2.655 56 W HA 0.711 5.375 4.660 0.007 0.000 0.358 56 W C -0.778 175.768 176.519 0.044 0.000 1.100 56 W CA -0.953 56.421 57.345 0.048 0.000 1.195 56 W CB 0.210 29.705 29.460 0.059 0.000 1.403 56 W HN 0.373 nan 8.180 nan 0.000 0.589 57 S N 1.339 117.193 115.700 0.257 0.000 2.578 57 S HA 0.882 5.356 4.470 0.007 0.000 0.301 57 S C 0.265 175.002 174.600 0.230 0.000 1.091 57 S CA -0.084 58.199 58.200 0.139 0.000 1.032 57 S CB 1.066 64.315 63.200 0.081 0.000 1.064 57 S HN 2.193 nan 8.310 nan 0.000 0.508 58 G N 0.159 109.054 108.800 0.158 0.000 2.681 58 G HA2 -0.104 3.860 3.960 0.007 0.000 0.220 58 G HA3 -0.104 3.860 3.960 0.007 0.000 0.220 58 G C -0.868 174.181 174.900 0.249 0.000 1.353 58 G CA -0.424 44.775 45.100 0.165 0.000 0.872 58 G HN 1.651 nan 8.290 nan 0.000 0.557 59 V N 1.028 121.064 119.914 0.202 0.000 2.318 59 V HA 0.509 4.634 4.120 0.007 0.000 0.271 59 V C 0.949 177.161 176.094 0.197 0.000 1.030 59 V CA -0.254 62.180 62.300 0.223 0.000 0.844 59 V CB 1.038 32.948 31.823 0.145 0.000 1.015 59 V HN 0.812 nan 8.190 nan 0.000 0.460 60 L N 4.591 125.965 121.223 0.251 0.000 2.455 60 L HA 0.251 4.596 4.340 0.007 0.000 0.272 60 L C 0.651 177.542 176.870 0.034 0.000 1.174 60 L CA 0.193 55.030 54.840 -0.005 0.000 0.869 60 L CB 0.605 42.439 42.059 -0.376 0.000 1.130 60 L HN 0.701 nan 8.230 nan 0.000 0.474 61 D N 5.027 125.413 120.400 -0.022 0.000 2.336 61 D HA 0.155 4.799 4.640 0.007 0.000 0.249 61 D C -0.321 175.953 176.300 -0.044 0.000 1.213 61 D CA -0.137 53.852 54.000 -0.019 0.000 0.870 61 D CB 1.565 42.342 40.800 -0.039 0.000 1.076 61 D HN 0.658 nan 8.370 nan 0.000 0.483 62 A N 3.388 126.205 122.820 -0.006 0.000 3.159 62 A HA 0.181 4.505 4.320 0.007 0.000 0.301 62 A C 1.202 178.702 177.584 -0.140 0.000 1.271 62 A CA -0.357 51.667 52.037 -0.023 0.000 0.998 62 A CB -0.295 18.801 19.000 0.159 0.000 1.101 62 A HN 0.592 nan 8.150 nan 0.000 0.610 63 T N -3.211 111.246 114.554 -0.163 0.000 3.040 63 T HA 0.243 4.598 4.350 0.007 0.000 0.250 63 T C 0.744 175.286 174.700 -0.264 0.000 1.058 63 T CA 0.861 62.833 62.100 -0.215 0.000 0.988 63 T CB -0.211 68.563 68.868 -0.157 0.000 0.993 63 T HN 0.758 nan 8.240 nan 0.000 0.519 64 T N -0.764 113.635 114.554 -0.258 0.000 2.883 64 T HA 0.665 5.019 4.350 0.007 0.000 0.301 64 T C -1.085 173.464 174.700 -0.252 0.000 1.158 64 T CA -0.924 61.006 62.100 -0.282 0.000 1.007 64 T CB 0.998 69.770 68.868 -0.161 0.000 1.186 64 T HN -0.032 nan 8.240 nan 0.000 0.499 65 F N 2.358 122.239 119.950 -0.116 0.000 2.529 65 F HA 0.346 4.878 4.527 0.007 0.000 0.365 65 F C 1.450 177.148 175.800 -0.170 0.000 1.102 65 F CA -0.227 57.703 58.000 -0.117 0.000 1.271 65 F CB 0.533 39.491 39.000 -0.070 0.000 1.120 65 F HN 0.490 nan 8.300 nan 0.000 0.579 66 Q N 1.789 121.588 119.800 -0.001 0.000 2.308 66 Q HA 0.162 4.507 4.340 0.007 0.000 0.207 66 Q C -0.030 175.862 176.000 -0.181 0.000 1.035 66 Q CA -0.683 54.958 55.803 -0.270 0.000 1.008 66 Q CB 0.537 28.825 28.738 -0.750 0.000 1.168 66 Q HN 0.506 nan 8.270 nan 0.000 0.565 67 N N -0.147 118.403 118.700 -0.249 0.000 2.345 67 N HA -0.033 4.711 4.740 0.007 0.000 0.243 67 N C -0.587 174.876 175.510 -0.079 0.000 1.246 67 N CA 0.207 53.177 53.050 -0.134 0.000 0.863 67 N CB 0.327 38.751 38.487 -0.105 0.000 1.096 67 N HN 0.181 nan 8.380 nan 0.000 0.446 68 V N 2.056 121.909 119.914 -0.102 0.000 2.583 68 V HA 0.054 4.178 4.120 0.007 0.000 0.287 68 V C 0.679 176.715 176.094 -0.096 0.000 1.051 68 V CA -0.811 61.423 62.300 -0.111 0.000 1.010 68 V CB 0.806 32.532 31.823 -0.162 0.000 0.988 68 V HN 0.691 nan 8.190 nan 0.000 0.478 69 c N 4.619 123.184 118.600 -0.058 0.000 2.642 69 c HA 0.088 4.662 4.570 0.007 0.000 0.420 69 c C 0.550 174.596 174.090 -0.074 0.000 1.349 69 c CA -0.576 55.728 56.329 -0.042 0.000 1.821 69 c CB -1.183 41.334 42.510 0.013 0.000 2.637 69 c HN 0.763 nan 8.230 nan 0.000 0.605 70 Y N 3.961 124.113 120.300 -0.248 0.000 2.729 70 Y HA 0.205 4.759 4.550 0.007 0.000 0.331 70 Y C 0.873 176.747 175.900 -0.043 0.000 1.208 70 Y CA 0.988 58.922 58.100 -0.277 0.000 1.521 70 Y CB 0.109 38.173 38.460 -0.660 0.000 1.233 70 Y HN 0.751 nan 8.280 nan 0.000 0.539 71 Q N 3.826 123.675 119.800 0.082 0.000 2.522 71 Q HA 0.229 4.573 4.340 0.007 0.000 0.285 71 Q C -1.761 174.429 176.000 0.316 0.000 0.982 71 Q CA -1.256 54.727 55.803 0.301 0.000 0.805 71 Q CB 1.250 30.115 28.738 0.211 0.000 1.457 71 Q HN 0.647 nan 8.270 nan 0.000 0.394 72 Y N 1.399 121.913 120.300 0.357 0.000 2.729 72 Y HA 0.229 4.783 4.550 0.007 0.000 0.331 72 Y C -0.748 175.329 175.900 0.296 0.000 1.208 72 Y CA 0.144 58.464 58.100 0.367 0.000 1.521 72 Y CB 0.662 39.441 38.460 0.532 0.000 1.233 72 Y HN 0.456 nan 8.280 nan 0.000 0.539 73 V N 7.282 127.018 119.914 -0.296 0.000 2.432 73 V HA 0.032 4.157 4.120 0.007 0.000 0.275 73 V C -0.091 175.716 176.094 -0.479 0.000 1.043 73 V CA -0.725 61.428 62.300 -0.246 0.000 0.925 73 V CB 1.176 32.892 31.823 -0.177 0.000 0.985 73 V HN 0.774 nan 8.190 nan 0.000 0.466 74 D N 3.409 123.756 120.400 -0.089 0.000 2.425 74 D HA 0.186 4.830 4.640 0.007 0.000 0.247 74 D C 1.010 177.337 176.300 0.045 0.000 1.147 74 D CA 0.397 54.451 54.000 0.090 0.000 0.879 74 D CB 1.233 42.253 40.800 0.367 0.000 1.179 74 D HN 0.724 nan 8.370 nan 0.000 0.456 75 T N 1.311 115.895 114.554 0.051 0.000 3.091 75 T HA 0.047 4.401 4.350 0.007 0.000 0.277 75 T C 1.533 176.224 174.700 -0.014 0.000 0.996 75 T CA -0.478 61.631 62.100 0.015 0.000 0.897 75 T CB -0.052 68.803 68.868 -0.022 0.000 1.109 75 T HN 0.264 nan 8.240 nan 0.000 0.534 76 L N 1.226 122.433 121.223 -0.027 0.000 1.963 76 L HA 0.043 4.387 4.340 0.007 0.000 0.220 76 L C -0.089 176.477 176.870 -0.507 0.000 1.076 76 L CA 1.769 56.403 54.840 -0.343 0.000 0.772 76 L CB -0.547 41.185 42.059 -0.545 0.000 0.892 76 L HN 0.449 nan 8.230 nan 0.000 0.435 77 Y N -0.378 119.957 120.300 0.059 0.000 2.863 77 Y HA 0.410 4.964 4.550 0.007 0.000 0.348 77 Y C -2.161 173.792 175.900 0.088 0.000 1.028 77 Y CA -3.370 54.748 58.100 0.029 0.000 1.213 77 Y CB -0.124 38.312 38.460 -0.040 0.000 1.120 77 Y HN 0.115 nan 8.280 nan 0.000 0.598 78 P HA 0.126 nan 4.420 nan 0.000 0.263 78 P C 1.035 178.400 177.300 0.108 0.000 1.195 78 P CA 1.376 64.534 63.100 0.098 0.000 0.762 78 P CB 0.822 32.548 31.700 0.044 0.000 0.799 79 G N 2.725 111.579 108.800 0.090 0.000 2.241 79 G HA2 -0.280 3.684 3.960 0.007 0.000 0.244 79 G HA3 -0.280 3.684 3.960 0.007 0.000 0.244 79 G C -0.024 174.932 174.900 0.094 0.000 0.998 79 G CA -0.444 44.694 45.100 0.063 0.000 0.621 79 G HN 0.534 nan 8.290 nan 0.000 0.519 80 F N 2.692 122.613 119.950 -0.047 0.000 2.472 80 F HA 0.581 5.111 4.527 0.006 0.000 0.364 80 F C 1.403 177.119 175.800 -0.139 0.000 1.090 80 F CA -0.385 57.540 58.000 -0.126 0.000 1.188 80 F CB 1.291 40.200 39.000 -0.152 0.000 1.105 80 F HN 0.268 nan 8.300 nan 0.000 0.536 81 E N 4.260 124.081 120.200 -0.633 0.000 2.058 81 E HA -0.117 4.237 4.350 0.007 0.000 0.194 81 E C 2.226 178.314 176.600 -0.854 0.000 0.997 81 E CA 1.998 58.020 56.400 -0.630 0.000 0.801 81 E CB -0.548 28.862 29.700 -0.483 0.000 0.746 81 E HN 0.927 nan 8.360 nan 0.000 0.450 82 G N -0.494 107.252 108.800 -1.757 0.000 2.513 82 G HA2 -0.388 3.577 3.960 0.007 0.000 0.219 82 G HA3 -0.388 3.577 3.960 0.007 0.000 0.219 82 G C 1.790 176.633 174.900 -0.094 0.000 1.160 82 G CA 2.032 46.395 45.100 -1.227 0.000 0.767 82 G HN 0.518 nan 8.290 nan 0.000 0.571 83 T N -1.791 112.718 114.554 -0.075 0.000 2.976 83 T HA 0.093 4.448 4.350 0.007 0.000 0.257 83 T C 1.998 176.864 174.700 0.277 0.000 1.051 83 T CA 1.244 63.638 62.100 0.490 0.000 1.141 83 T CB -0.048 69.184 68.868 0.606 0.000 0.881 83 T HN 0.150 nan 8.240 nan 0.000 0.461 84 E N 2.219 122.430 120.200 0.018 0.000 2.160 84 E HA -0.128 4.226 4.350 0.007 0.000 0.195 84 E C 2.234 178.755 176.600 -0.131 0.000 0.991 84 E CA 1.488 57.866 56.400 -0.037 0.000 0.810 84 E CB -0.558 29.082 29.700 -0.100 0.000 0.742 84 E HN 0.840 nan 8.360 nan 0.000 0.466 85 M N -2.410 117.017 119.600 -0.289 0.000 2.446 85 M HA -0.081 4.403 4.480 0.007 0.000 0.263 85 M C 1.343 177.245 176.300 -0.663 0.000 1.066 85 M CA 1.391 56.364 55.300 -0.545 0.000 1.087 85 M CB -0.534 31.625 32.600 -0.734 0.000 1.406 85 M HN 0.001 nan 8.290 nan 0.000 0.459 86 W N 0.856 122.105 121.300 -0.085 0.000 2.996 86 W HA 0.270 4.934 4.660 0.006 0.000 0.270 86 W C 0.570 177.030 176.519 -0.099 0.000 1.280 86 W CA -0.872 56.411 57.345 -0.104 0.000 1.549 86 W CB -0.178 29.271 29.460 -0.017 0.000 1.079 86 W HN 0.105 nan 8.180 nan 0.000 0.629 87 N N 1.538 120.289 118.700 0.085 0.000 2.444 87 N HA 0.109 4.853 4.740 0.007 0.000 0.255 87 N C -2.335 173.132 175.510 -0.071 0.000 1.255 87 N CA -1.229 51.836 53.050 0.025 0.000 0.933 87 N CB -0.122 38.374 38.487 0.015 0.000 1.143 87 N HN -0.313 nan 8.380 nan 0.000 0.453 88 P HA 0.062 nan 4.420 nan 0.000 0.267 88 P C 0.241 177.458 177.300 -0.140 0.000 1.200 88 P CA 0.116 63.133 63.100 -0.137 0.000 0.772 88 P CB 0.392 32.006 31.700 -0.143 0.000 0.855 89 N N 1.183 119.788 118.700 -0.159 0.000 2.241 89 N HA 0.107 4.851 4.740 0.007 0.000 0.238 89 N C -0.043 175.399 175.510 -0.114 0.000 1.244 89 N CA -0.102 52.863 53.050 -0.141 0.000 0.880 89 N CB 0.567 38.953 38.487 -0.169 0.000 1.179 89 N HN 0.149 nan 8.380 nan 0.000 0.513 90 R N 0.240 120.669 120.500 -0.118 0.000 2.817 90 R HA 0.262 4.606 4.340 0.007 0.000 0.268 90 R C -0.753 175.481 176.300 -0.111 0.000 1.027 90 R CA -0.621 55.423 56.100 -0.094 0.000 0.928 90 R CB 1.323 31.576 30.300 -0.078 0.000 1.228 90 R HN 0.335 nan 8.270 nan 0.000 0.469 91 E N 1.590 121.730 120.200 -0.100 0.000 2.442 91 E HA 0.029 4.384 4.350 0.007 0.000 0.262 91 E C -0.512 176.005 176.600 -0.139 0.000 1.004 91 E CA -0.096 56.239 56.400 -0.107 0.000 0.928 91 E CB 0.576 30.227 29.700 -0.082 0.000 0.937 91 E HN 0.284 nan 8.360 nan 0.000 0.446 92 L N 3.479 124.585 121.223 -0.194 0.000 2.331 92 L HA 0.255 4.599 4.340 0.007 0.000 0.278 92 L C 0.259 177.044 176.870 -0.142 0.000 1.106 92 L CA -0.055 54.599 54.840 -0.310 0.000 0.824 92 L CB 1.048 42.684 42.059 -0.704 0.000 1.142 92 L HN 0.520 nan 8.230 nan 0.000 0.443 93 S N 1.478 117.151 115.700 -0.046 0.000 2.552 93 S HA 0.186 4.660 4.470 0.007 0.000 0.272 93 S C 0.215 174.833 174.600 0.029 0.000 1.150 93 S CA -0.679 57.567 58.200 0.076 0.000 0.849 93 S CB 1.658 64.866 63.200 0.014 0.000 1.113 93 S HN 0.736 nan 8.310 nan 0.000 0.458 94 E N 0.857 121.038 120.200 -0.031 0.000 2.347 94 E HA -0.055 4.299 4.350 0.007 0.000 0.196 94 E C -0.360 176.197 176.600 -0.071 0.000 1.008 94 E CA 0.487 56.798 56.400 -0.148 0.000 0.852 94 E CB 0.095 29.661 29.700 -0.223 0.000 0.783 94 E HN 0.548 nan 8.360 nan 0.000 0.505 95 D N 0.304 120.696 120.400 -0.013 0.000 2.453 95 D HA 0.002 4.646 4.640 0.007 0.000 0.223 95 D C 0.073 176.478 176.300 0.175 0.000 1.183 95 D CA -0.303 53.726 54.000 0.049 0.000 0.933 95 D CB 0.019 40.858 40.800 0.065 0.000 1.038 95 D HN 0.123 nan 8.370 nan 0.000 0.513 96 c N 2.340 121.036 118.600 0.159 0.000 4.015 96 c HA 0.350 4.924 4.570 0.007 0.000 0.323 96 c C 0.781 175.032 174.090 0.268 0.000 1.724 96 c CA -0.624 55.861 56.329 0.260 0.000 1.828 96 c CB -1.241 41.328 42.510 0.098 0.000 3.083 96 c HN 0.448 nan 8.230 nan 0.000 0.640 97 L N 2.534 123.679 121.223 -0.129 0.000 2.376 97 L HA 0.327 4.672 4.340 0.007 0.000 0.250 97 L C -0.831 175.533 176.870 -0.844 0.000 1.335 97 L CA 0.663 55.194 54.840 -0.516 0.000 1.214 97 L CB -0.833 40.747 42.059 -0.797 0.000 1.395 97 L HN 0.446 nan 8.230 nan 0.000 0.424 98 Y N 1.248 121.562 120.300 0.023 0.000 2.570 98 Y HA 0.646 5.200 4.550 0.007 0.000 0.345 98 Y C -0.009 176.099 175.900 0.346 0.000 1.014 98 Y CA -1.291 56.890 58.100 0.136 0.000 1.063 98 Y CB 1.910 40.381 38.460 0.020 0.000 1.272 98 Y HN 0.142 nan 8.280 nan 0.000 0.477 99 L N -0.460 120.951 121.223 0.313 0.000 2.277 99 L HA 0.775 5.119 4.340 0.007 0.000 0.254 99 L C -1.326 175.550 176.870 0.010 0.000 1.044 99 L CA -1.221 53.673 54.840 0.092 0.000 0.842 99 L CB 1.585 43.509 42.059 -0.226 0.000 1.422 99 L HN 0.500 nan 8.230 nan 0.000 0.422 100 N N -0.350 118.348 118.700 -0.003 0.000 2.229 100 N HA 0.724 5.469 4.740 0.007 0.000 0.298 100 N C -1.615 173.789 175.510 -0.177 0.000 1.114 100 N CA -0.422 52.556 53.050 -0.121 0.000 0.776 100 N CB 2.906 41.354 38.487 -0.065 0.000 1.501 100 N HN 0.489 nan 8.380 nan 0.000 0.474 101 V N 1.457 121.178 119.914 -0.323 0.000 2.525 101 V HA 0.427 4.551 4.120 0.007 0.000 0.299 101 V C -0.829 175.152 176.094 -0.188 0.000 1.034 101 V CA -0.786 61.400 62.300 -0.189 0.000 0.863 101 V CB 2.027 33.596 31.823 -0.424 0.000 0.999 101 V HN 0.554 nan 8.190 nan 0.000 0.423 102 W N 3.002 124.376 121.300 0.122 0.000 2.551 102 W HA 0.708 5.372 4.660 0.008 0.000 0.330 102 W C 0.235 176.842 176.519 0.148 0.000 1.063 102 W CA -0.422 57.005 57.345 0.136 0.000 1.222 102 W CB 2.392 31.917 29.460 0.108 0.000 1.349 102 W HN 0.635 nan 8.180 nan 0.000 0.536 103 T N -0.049 114.743 114.554 0.397 0.000 2.883 103 T HA 0.480 4.834 4.350 0.007 0.000 0.301 103 T C -2.795 172.079 174.700 0.289 0.000 1.158 103 T CA -2.329 59.959 62.100 0.314 0.000 1.007 103 T CB 2.221 71.287 68.868 0.329 0.000 1.186 103 T HN -0.093 nan 8.240 nan 0.000 0.499 104 P HA 0.183 nan 4.420 nan 0.000 0.271 104 P C -1.498 175.958 177.300 0.260 0.000 1.233 104 P CA -0.107 63.116 63.100 0.205 0.000 0.795 104 P CB 0.116 31.906 31.700 0.150 0.000 0.936 105 Y N 1.162 121.518 120.300 0.094 0.000 2.331 105 Y HA 0.393 4.947 4.550 0.007 0.000 0.326 105 Y C -2.293 173.645 175.900 0.063 0.000 1.020 105 Y CA -2.363 55.788 58.100 0.085 0.000 1.136 105 Y CB 1.251 39.752 38.460 0.069 0.000 1.157 105 Y HN 0.327 nan 8.280 nan 0.000 0.444 106 P HA 0.221 nan 4.420 nan 0.000 0.273 106 P C -0.947 176.320 177.300 -0.056 0.000 1.250 106 P CA -0.373 62.544 63.100 -0.305 0.000 0.793 106 P CB 1.067 32.627 31.700 -0.233 0.000 1.011 107 R N 1.031 121.507 120.500 -0.039 0.000 2.570 107 R HA 0.161 4.505 4.340 0.007 0.000 0.277 107 R C -1.641 174.683 176.300 0.040 0.000 1.039 107 R CA -1.090 55.045 56.100 0.059 0.000 1.065 107 R CB -0.710 29.638 30.300 0.080 0.000 0.964 107 R HN 0.469 nan 8.270 nan 0.000 0.428 108 P HA -0.051 nan 4.420 nan 0.000 0.265 108 P C -0.188 177.130 177.300 0.029 0.000 1.193 108 P CA 0.224 63.352 63.100 0.047 0.000 0.765 108 P CB 0.972 32.709 31.700 0.060 0.000 0.823 109 A N 3.335 126.165 122.820 0.017 0.000 1.968 109 A HA -0.009 4.315 4.320 0.007 0.000 0.217 109 A C 1.175 178.763 177.584 0.006 0.000 1.169 109 A CA 1.208 53.248 52.037 0.005 0.000 0.638 109 A CB -0.657 18.344 19.000 0.001 0.000 0.812 109 A HN 0.678 nan 8.150 nan 0.000 0.446 110 S N 0.006 115.713 115.700 0.011 0.000 2.475 110 S HA 0.569 5.043 4.470 0.007 0.000 0.298 110 S C -2.966 171.643 174.600 0.015 0.000 1.119 110 S CA -1.751 56.454 58.200 0.008 0.000 1.085 110 S CB 0.954 64.157 63.200 0.005 0.000 1.028 110 S HN 0.034 nan 8.310 nan 0.000 0.489 111 P HA -0.003 nan 4.420 nan 0.000 0.255 111 P C -0.380 176.934 177.300 0.024 0.000 1.141 111 P CA 0.735 63.846 63.100 0.018 0.000 0.767 111 P CB -0.196 31.507 31.700 0.005 0.000 0.726 112 T N 6.208 120.788 114.554 0.043 0.000 2.875 112 T HA 0.380 4.734 4.350 0.007 0.000 0.284 112 T C -2.224 172.506 174.700 0.050 0.000 0.995 112 T CA -1.552 60.577 62.100 0.048 0.000 1.060 112 T CB 0.651 69.561 68.868 0.070 0.000 0.967 112 T HN 0.149 nan 8.240 nan 0.000 0.476 113 P HA 0.223 nan 4.420 nan 0.000 0.269 113 P C -1.038 176.305 177.300 0.071 0.000 1.215 113 P CA -0.362 62.760 63.100 0.037 0.000 0.780 113 P CB 0.472 32.176 31.700 0.006 0.000 0.898 114 V N 3.849 123.821 119.914 0.097 0.000 2.459 114 V HA 0.356 4.480 4.120 0.007 0.000 0.295 114 V C 0.159 176.339 176.094 0.142 0.000 1.029 114 V CA -0.519 61.861 62.300 0.135 0.000 0.874 114 V CB 1.291 33.209 31.823 0.159 0.000 0.985 114 V HN 0.345 nan 8.190 nan 0.000 0.438 115 L N 5.641 126.959 121.223 0.158 0.000 2.307 115 L HA 0.626 4.970 4.340 0.007 0.000 0.284 115 L C -0.657 176.434 176.870 0.368 0.000 1.023 115 L CA -0.243 54.713 54.840 0.193 0.000 0.810 115 L CB 1.762 43.831 42.059 0.017 0.000 1.231 115 L HN 0.488 nan 8.230 nan 0.000 0.423 116 I N 2.612 123.444 120.570 0.437 0.000 2.389 116 I HA 0.253 4.427 4.170 0.007 0.000 0.288 116 I C -0.858 175.564 176.117 0.509 0.000 0.999 116 I CA -0.394 61.151 61.300 0.408 0.000 1.129 116 I CB 1.553 39.673 38.000 0.200 0.000 1.288 116 I HN 0.608 nan 8.210 nan 0.000 0.444 117 W N 8.344 129.770 121.300 0.210 0.000 2.390 117 W HA 0.599 5.262 4.660 0.006 0.000 0.312 117 W C -1.588 174.838 176.519 -0.154 0.000 1.123 117 W CA -0.682 56.568 57.345 -0.158 0.000 1.202 117 W CB 1.255 30.612 29.460 -0.171 0.000 1.251 117 W HN 0.336 nan 8.180 nan 0.000 0.511 118 I N 8.998 128.910 120.570 -1.097 0.000 2.390 118 I HA 0.067 4.241 4.170 0.007 0.000 0.283 118 I C -0.267 175.101 176.117 -1.249 0.000 1.016 118 I CA -1.124 59.624 61.300 -0.921 0.000 1.151 118 I CB 0.646 38.271 38.000 -0.626 0.000 1.293 118 I HN 0.300 nan 8.210 nan 0.000 0.458 119 Y N 4.500 124.369 120.300 -0.720 0.000 2.550 119 Y HA 0.599 5.154 4.550 0.007 0.000 0.343 119 Y C 0.765 176.498 175.900 -0.278 0.000 1.245 119 Y CA -0.694 57.102 58.100 -0.507 0.000 1.462 119 Y CB -0.053 38.295 38.460 -0.186 0.000 1.340 119 Y HN 0.524 nan 8.280 nan 0.000 0.604 120 G N -0.678 108.123 108.800 0.003 0.000 2.568 120 G HA2 0.505 4.469 3.960 0.007 0.000 0.293 120 G HA3 0.505 4.469 3.960 0.007 0.000 0.293 120 G C 0.273 175.110 174.900 -0.106 0.000 1.347 120 G CA -0.940 44.083 45.100 -0.129 0.000 1.039 120 G HN 1.701 nan 8.290 nan 0.000 0.523 121 G N -2.844 105.719 108.800 -0.395 0.000 2.207 121 G HA2 0.410 4.374 3.960 0.007 0.000 0.193 121 G HA3 0.410 4.374 3.960 0.007 0.000 0.193 121 G C 1.036 175.347 174.900 -0.981 0.000 1.050 121 G CA 0.750 45.488 45.100 -0.602 0.000 0.780 121 G HN 2.334 nan 8.290 nan 0.000 0.504 122 G N -0.448 107.765 108.800 -0.978 0.000 2.166 122 G HA2 -0.146 3.818 3.960 0.007 0.000 0.260 122 G HA3 -0.146 3.818 3.960 0.007 0.000 0.260 122 G C 0.906 175.518 174.900 -0.480 0.000 0.986 122 G CA 0.815 45.123 45.100 -1.319 0.000 0.683 122 G HN 1.771 nan 8.290 nan 0.000 0.527 123 F N -3.364 116.439 119.950 -0.245 0.000 2.914 123 F HA -0.307 4.224 4.527 0.007 0.000 0.304 123 F C 1.428 177.333 175.800 0.174 0.000 0.712 123 F CA 2.015 60.011 58.000 -0.008 0.000 1.211 123 F CB -2.150 36.681 39.000 -0.282 0.000 1.515 123 F HN 0.864 nan 8.300 nan 0.000 0.350 124 Y N -1.134 119.264 120.300 0.163 0.000 2.430 124 Y HA 0.653 5.207 4.550 0.007 0.000 0.248 124 Y C 0.684 176.715 175.900 0.219 0.000 1.108 124 Y CA 0.269 58.492 58.100 0.204 0.000 1.264 124 Y CB 0.021 38.541 38.460 0.099 0.000 1.172 124 Y HN 0.098 nan 8.280 nan 0.000 0.520 125 S N -0.795 114.755 115.700 -0.249 0.000 2.672 125 S HA 0.844 5.318 4.470 0.007 0.000 0.271 125 S C -0.180 174.283 174.600 -0.229 0.000 1.171 125 S CA -0.538 57.548 58.200 -0.189 0.000 0.817 125 S CB 1.405 64.441 63.200 -0.274 0.000 1.150 125 S HN 1.383 nan 8.310 nan 0.000 0.478 126 G N -0.694 107.938 108.800 -0.280 0.000 2.617 126 G HA2 0.522 4.486 3.960 0.007 0.000 0.686 126 G HA3 0.522 4.486 3.960 0.007 0.000 0.686 126 G C -0.583 173.625 174.900 -1.154 0.000 1.214 126 G CA -0.252 44.521 45.100 -0.546 0.000 0.796 126 G HN 2.151 nan 8.290 nan 0.000 0.654 127 A N -0.354 121.732 122.820 -1.223 0.000 2.589 127 A HA 1.029 5.353 4.320 0.007 0.000 0.296 127 A C 0.618 177.949 177.584 -0.422 0.000 1.062 127 A CA 0.479 52.002 52.037 -0.856 0.000 0.686 127 A CB 1.165 19.925 19.000 -0.401 0.000 1.282 127 A HN 2.585 nan 8.150 nan 0.000 0.404 128 A N 0.387 123.190 122.820 -0.028 0.000 2.238 128 A HA 0.285 4.609 4.320 0.007 0.000 0.208 128 A C 1.559 179.155 177.584 0.020 0.000 1.177 128 A CA 1.588 53.797 52.037 0.287 0.000 0.804 128 A CB -0.504 18.747 19.000 0.418 0.000 0.823 128 A HN 1.708 nan 8.150 nan 0.000 0.482 129 S N -0.592 114.882 115.700 -0.376 0.000 2.540 129 S HA 0.342 4.816 4.470 0.007 0.000 0.218 129 S C 0.457 174.638 174.600 -0.698 0.000 0.977 129 S CA -0.494 57.033 58.200 -1.122 0.000 0.918 129 S CB -0.566 61.767 63.200 -1.446 0.000 0.806 129 S HN 0.366 nan 8.310 nan 0.000 0.496 130 L N 2.324 123.295 121.223 -0.421 0.000 2.529 130 L HA 0.051 4.395 4.340 0.007 0.000 0.287 130 L C 1.309 177.878 176.870 -0.503 0.000 1.241 130 L CA -0.252 54.292 54.840 -0.494 0.000 0.857 130 L CB 0.150 41.786 42.059 -0.705 0.000 1.113 130 L HN 0.103 nan 8.230 nan 0.000 0.504 131 D N 1.167 121.301 120.400 -0.443 0.000 2.123 131 D HA -0.151 4.493 4.640 0.007 0.000 0.196 131 D C 1.977 177.998 176.300 -0.466 0.000 0.992 131 D CA 1.463 55.255 54.000 -0.347 0.000 0.833 131 D CB -0.024 40.609 40.800 -0.278 0.000 0.954 131 D HN 0.543 nan 8.370 nan 0.000 0.455 132 V N -1.407 118.074 119.914 -0.722 0.000 3.241 132 V HA -0.158 3.966 4.120 0.007 0.000 0.269 132 V C 1.032 176.505 176.094 -1.036 0.000 1.151 132 V CA 1.099 62.922 62.300 -0.795 0.000 1.158 132 V CB -1.121 30.180 31.823 -0.870 0.000 0.764 132 V HN 0.093 nan 8.190 nan 0.000 0.508 133 Y N -0.044 119.692 120.300 -0.941 0.000 2.555 133 Y HA 0.432 4.986 4.550 0.006 0.000 0.259 133 Y C 0.947 176.228 175.900 -1.032 0.000 1.179 133 Y CA -1.807 55.389 58.100 -1.508 0.000 1.230 133 Y CB -0.619 37.364 38.460 -0.796 0.000 1.146 133 Y HN 0.250 nan 8.280 nan 0.000 0.526 134 D N 1.027 121.107 120.400 -0.532 0.000 2.426 134 D HA -0.008 4.637 4.640 0.007 0.000 0.261 134 D C 1.431 177.377 176.300 -0.589 0.000 1.245 134 D CA 0.601 54.354 54.000 -0.411 0.000 0.917 134 D CB 1.175 41.858 40.800 -0.196 0.000 1.123 134 D HN 0.481 nan 8.370 nan 0.000 0.508 135 G N 4.146 112.016 108.800 -1.550 0.000 2.744 135 G HA2 -0.203 3.762 3.960 0.007 0.000 0.211 135 G HA3 -0.203 3.762 3.960 0.007 0.000 0.211 135 G C 1.536 175.801 174.900 -1.058 0.000 1.143 135 G CA 0.372 44.697 45.100 -1.291 0.000 0.788 135 G HN 0.638 nan 8.290 nan 0.000 0.534 136 R N -0.611 119.178 120.500 -1.184 0.000 2.127 136 R HA -0.037 4.307 4.340 0.007 0.000 0.238 136 R C 1.731 177.725 176.300 -0.509 0.000 1.134 136 R CA 1.364 57.047 56.100 -0.695 0.000 0.975 136 R CB -0.670 29.268 30.300 -0.604 0.000 0.865 136 R HN 0.329 nan 8.270 nan 0.000 0.447 137 F N 1.420 121.270 119.950 -0.167 0.000 2.128 137 F HA 0.075 4.606 4.527 0.007 0.000 0.295 137 F C 2.288 178.029 175.800 -0.099 0.000 1.100 137 F CA 0.663 58.596 58.000 -0.112 0.000 1.260 137 F CB -0.629 38.299 39.000 -0.121 0.000 1.009 137 F HN -0.142 nan 8.300 nan 0.000 0.476 138 L N -0.112 121.134 121.223 0.039 0.000 2.083 138 L HA -0.200 4.145 4.340 0.007 0.000 0.209 138 L C 2.697 179.572 176.870 0.007 0.000 1.083 138 L CA 1.053 55.880 54.840 -0.021 0.000 0.752 138 L CB -0.944 41.052 42.059 -0.104 0.000 0.899 138 L HN 0.192 nan 8.230 nan 0.000 0.433 139 A N -0.770 122.054 122.820 0.007 0.000 1.845 139 A HA -0.254 4.070 4.320 0.007 0.000 0.215 139 A C 2.285 179.914 177.584 0.076 0.000 1.195 139 A CA 1.628 53.714 52.037 0.082 0.000 0.616 139 A CB -0.593 18.496 19.000 0.148 0.000 0.832 139 A HN 0.362 nan 8.150 nan 0.000 0.443 140 Q N -0.130 119.698 119.800 0.047 0.000 1.993 140 Q HA -0.111 4.233 4.340 0.007 0.000 0.202 140 Q C 2.260 178.294 176.000 0.057 0.000 0.984 140 Q CA 2.268 58.105 55.803 0.056 0.000 0.837 140 Q CB -0.571 28.188 28.738 0.035 0.000 0.902 140 Q HN 0.379 nan 8.270 nan 0.000 0.423 141 V N 1.217 121.164 119.914 0.054 0.000 2.407 141 V HA -0.121 4.003 4.120 0.007 0.000 0.245 141 V C 1.905 178.015 176.094 0.027 0.000 1.041 141 V CA 1.601 63.926 62.300 0.041 0.000 1.040 141 V CB -0.199 31.648 31.823 0.039 0.000 0.671 141 V HN 0.263 nan 8.190 nan 0.000 0.455 142 E N -0.363 119.852 120.200 0.024 0.000 2.472 142 E HA 0.183 4.538 4.350 0.007 0.000 0.196 142 E C 1.695 178.313 176.600 0.030 0.000 1.033 142 E CA 0.701 57.111 56.400 0.016 0.000 0.886 142 E CB 0.478 30.178 29.700 -0.000 0.000 0.944 142 E HN 0.581 nan 8.360 nan 0.000 0.492 143 G N 1.655 110.484 108.800 0.048 0.000 2.198 143 G HA2 -0.306 3.658 3.960 0.007 0.000 0.260 143 G HA3 -0.306 3.658 3.960 0.007 0.000 0.260 143 G C 0.469 175.413 174.900 0.072 0.000 1.025 143 G CA 0.466 45.604 45.100 0.065 0.000 0.769 143 G HN 0.468 nan 8.290 nan 0.000 0.507 144 A N -0.930 121.931 122.820 0.070 0.000 2.302 144 A HA 0.759 5.083 4.320 0.007 0.000 0.285 144 A C 0.405 178.066 177.584 0.128 0.000 1.105 144 A CA -0.067 52.016 52.037 0.076 0.000 0.816 144 A CB 1.395 20.421 19.000 0.043 0.000 1.067 144 A HN 1.093 nan 8.150 nan 0.000 0.489 145 V N 2.564 122.563 119.914 0.142 0.000 2.333 145 V HA 0.299 4.423 4.120 0.007 0.000 0.274 145 V C -0.176 176.052 176.094 0.224 0.000 1.028 145 V CA -0.053 62.361 62.300 0.190 0.000 0.851 145 V CB 0.667 32.594 31.823 0.174 0.000 1.000 145 V HN 0.705 nan 8.190 nan 0.000 0.456 146 L N 6.322 127.731 121.223 0.311 0.000 2.307 146 L HA 0.690 5.034 4.340 0.007 0.000 0.284 146 L C -0.676 176.476 176.870 0.470 0.000 1.023 146 L CA -0.173 54.904 54.840 0.395 0.000 0.810 146 L CB 1.705 44.004 42.059 0.400 0.000 1.231 146 L HN 0.423 nan 8.230 nan 0.000 0.423 147 V N 3.327 123.492 119.914 0.418 0.000 2.588 147 V HA 0.647 4.771 4.120 0.007 0.000 0.304 147 V C -0.476 175.855 176.094 0.395 0.000 1.042 147 V CA -0.451 62.053 62.300 0.340 0.000 0.877 147 V CB 1.993 33.951 31.823 0.226 0.000 0.996 147 V HN 0.844 nan 8.190 nan 0.000 0.425 148 S N 5.558 121.490 115.700 0.387 0.000 2.548 148 S HA 0.891 5.365 4.470 0.007 0.000 0.286 148 S C -0.795 173.945 174.600 0.234 0.000 1.098 148 S CA -0.832 57.596 58.200 0.379 0.000 0.930 148 S CB 2.293 65.840 63.200 0.577 0.000 1.070 148 S HN 0.830 nan 8.310 nan 0.000 0.480 149 M N 1.352 121.054 119.600 0.170 0.000 2.602 149 M HA 0.626 5.110 4.480 0.007 0.000 0.312 149 M C -1.626 174.873 176.300 0.331 0.000 1.181 149 M CA -0.584 54.795 55.300 0.131 0.000 0.910 149 M CB 1.193 33.694 32.600 -0.166 0.000 1.723 149 M HN 0.542 nan 8.290 nan 0.000 0.459 150 N N 2.835 121.796 118.700 0.435 0.000 2.529 150 N HA 0.504 5.248 4.740 0.007 0.000 0.278 150 N C -1.352 174.444 175.510 0.476 0.000 1.146 150 N CA 0.148 53.486 53.050 0.479 0.000 0.980 150 N CB 0.491 39.192 38.487 0.356 0.000 1.124 150 N HN 0.734 nan 8.380 nan 0.000 0.458 151 Y N -1.753 118.737 120.300 0.317 0.000 2.524 151 Y HA 0.551 5.105 4.550 0.007 0.000 0.347 151 Y C -0.039 176.008 175.900 0.244 0.000 1.005 151 Y CA -1.361 56.875 58.100 0.227 0.000 1.025 151 Y CB 0.919 39.437 38.460 0.098 0.000 1.275 151 Y HN 0.200 nan 8.280 nan 0.000 0.460 152 R N 2.033 122.679 120.500 0.244 0.000 2.570 152 R HA 0.429 4.773 4.340 0.007 0.000 0.277 152 R C -0.194 176.263 176.300 0.261 0.000 1.039 152 R CA -0.047 56.152 56.100 0.166 0.000 1.065 152 R CB 0.610 30.972 30.300 0.103 0.000 0.964 152 R HN 0.710 nan 8.270 nan 0.000 0.428 153 V N 0.002 120.106 119.914 0.317 0.000 3.166 153 V HA 0.875 5.000 4.120 0.007 0.000 0.317 153 V C 0.828 177.257 176.094 0.558 0.000 1.136 153 V CA -0.202 62.406 62.300 0.514 0.000 1.035 153 V CB 1.136 33.166 31.823 0.344 0.000 1.110 153 V HN 0.977 nan 8.190 nan 0.000 0.450 154 G N 1.501 110.665 108.800 0.606 0.000 2.598 154 G HA2 -0.277 3.687 3.960 0.007 0.000 0.269 154 G HA3 -0.277 3.687 3.960 0.007 0.000 0.269 154 G C 1.007 176.041 174.900 0.223 0.000 1.289 154 G CA 1.513 46.882 45.100 0.447 0.000 0.926 154 G HN 2.375 nan 8.290 nan 0.000 0.567 155 T N -1.748 112.651 114.554 -0.259 0.000 2.624 155 T HA -0.249 4.105 4.350 0.007 0.000 0.268 155 T C 2.129 176.656 174.700 -0.288 0.000 1.041 155 T CA 2.992 64.680 62.100 -0.686 0.000 1.159 155 T CB -0.645 67.690 68.868 -0.889 0.000 0.863 155 T HN 0.837 nan 8.240 nan 0.000 0.434 156 F N 2.185 122.168 119.950 0.054 0.000 2.287 156 F HA 0.182 4.713 4.527 0.007 0.000 0.301 156 F C 2.671 178.445 175.800 -0.044 0.000 1.069 156 F CA 0.674 58.655 58.000 -0.031 0.000 1.372 156 F CB -0.916 38.039 39.000 -0.075 0.000 1.056 156 F HN 0.426 nan 8.300 nan 0.000 0.523 157 G N -1.790 107.057 108.800 0.079 0.000 2.673 157 G HA2 0.078 4.042 3.960 0.007 0.000 0.208 157 G HA3 0.078 4.042 3.960 0.007 0.000 0.208 157 G C 0.881 175.318 174.900 -0.772 0.000 1.128 157 G CA 0.165 45.048 45.100 -0.361 0.000 0.805 157 G HN 0.361 nan 8.290 nan 0.000 0.526 158 F N -0.412 119.604 119.950 0.110 0.000 2.915 158 F HA 0.441 4.972 4.527 0.007 0.000 0.347 158 F C 0.390 176.235 175.800 0.075 0.000 1.104 158 F CA -0.862 57.182 58.000 0.073 0.000 1.126 158 F CB 0.394 39.435 39.000 0.068 0.000 1.145 158 F HN -0.075 nan 8.300 nan 0.000 0.541 159 L N 2.257 123.486 121.223 0.010 0.000 2.499 159 L HA 0.546 4.890 4.340 0.007 0.000 0.273 159 L C -0.056 176.758 176.870 -0.093 0.000 1.195 159 L CA 0.067 54.797 54.840 -0.184 0.000 0.882 159 L CB 0.471 42.144 42.059 -0.643 0.000 1.133 159 L HN 0.133 nan 8.230 nan 0.000 0.483 160 A N 6.046 128.859 122.820 -0.012 0.000 2.455 160 A HA 0.656 4.980 4.320 0.007 0.000 0.300 160 A C -1.208 176.348 177.584 -0.048 0.000 1.040 160 A CA -0.599 51.419 52.037 -0.031 0.000 0.697 160 A CB 1.327 20.347 19.000 0.033 0.000 1.265 160 A HN 0.691 nan 8.150 nan 0.000 0.407 161 L N 3.296 124.476 121.223 -0.073 0.000 2.371 161 L HA 0.335 4.679 4.340 0.007 0.000 0.262 161 L C -2.392 174.463 176.870 -0.026 0.000 1.054 161 L CA -1.678 53.131 54.840 -0.052 0.000 0.924 161 L CB 1.294 43.308 42.059 -0.074 0.000 1.295 161 L HN 0.401 nan 8.230 nan 0.000 0.441 162 P HA 0.077 nan 4.420 nan 0.000 0.264 162 P C 0.970 178.269 177.300 -0.001 0.000 1.183 162 P CA 0.809 63.908 63.100 -0.001 0.000 0.763 162 P CB 1.012 32.713 31.700 0.002 0.000 0.807 163 G N 1.800 110.603 108.800 0.005 0.000 2.358 163 G HA2 -0.267 3.697 3.960 0.007 0.000 0.224 163 G HA3 -0.267 3.697 3.960 0.007 0.000 0.224 163 G C 0.572 175.475 174.900 0.005 0.000 1.073 163 G CA 0.261 45.364 45.100 0.006 0.000 0.635 163 G HN 0.834 nan 8.290 nan 0.000 0.509 164 S N 0.435 116.133 115.700 -0.002 0.000 2.580 164 S HA 0.443 4.917 4.470 0.007 0.000 0.261 164 S C 1.326 175.930 174.600 0.008 0.000 1.366 164 S CA 0.897 59.096 58.200 -0.002 0.000 0.996 164 S CB 1.502 64.693 63.200 -0.016 0.000 0.902 164 S HN 0.636 nan 8.310 nan 0.000 0.566 165 R N 0.177 120.684 120.500 0.011 0.000 2.128 165 R HA 0.066 4.411 4.340 0.007 0.000 0.211 165 R C 1.288 177.605 176.300 0.028 0.000 1.067 165 R CA 1.036 57.148 56.100 0.021 0.000 1.010 165 R CB -0.239 30.073 30.300 0.020 0.000 0.922 165 R HN 0.824 nan 8.270 nan 0.000 0.457 166 E N -0.470 119.745 120.200 0.025 0.000 2.478 166 E HA 0.140 4.494 4.350 0.007 0.000 0.194 166 E C -0.332 176.302 176.600 0.056 0.000 1.045 166 E CA 0.422 56.849 56.400 0.044 0.000 0.868 166 E CB 1.241 30.966 29.700 0.041 0.000 0.885 166 E HN 0.259 nan 8.360 nan 0.000 0.505 167 A N 1.018 123.847 122.820 0.015 0.000 3.200 167 A HA 0.268 4.592 4.320 0.007 0.000 0.274 167 A C -2.287 175.290 177.584 -0.012 0.000 1.220 167 A CA -0.852 51.179 52.037 -0.010 0.000 0.904 167 A CB 0.484 19.386 19.000 -0.164 0.000 1.415 167 A HN -0.082 nan 8.150 nan 0.000 0.630 168 P HA 0.187 nan 4.420 nan 0.000 0.233 168 P C 0.948 178.261 177.300 0.022 0.000 1.167 168 P CA 1.775 64.888 63.100 0.022 0.000 0.770 168 P CB 0.179 31.903 31.700 0.040 0.000 0.837 169 G N 0.689 109.498 108.800 0.016 0.000 2.746 169 G HA2 -0.180 3.784 3.960 0.007 0.000 0.685 169 G HA3 -0.180 3.784 3.960 0.007 0.000 0.685 169 G C -0.132 174.768 174.900 0.000 0.000 1.350 169 G CA -0.301 44.813 45.100 0.024 0.000 0.837 169 G HN 0.143 nan 8.290 nan 0.000 0.564 170 N N -2.416 116.286 118.700 0.004 0.000 2.741 170 N HA -0.275 4.470 4.740 0.007 0.000 0.251 170 N C 1.786 177.171 175.510 -0.208 0.000 1.112 170 N CA 2.292 55.288 53.050 -0.090 0.000 0.750 170 N CB -1.657 36.700 38.487 -0.217 0.000 1.119 170 N HN 1.914 nan 8.380 nan 0.000 0.561 171 V N -2.809 116.964 119.914 -0.236 0.000 2.809 171 V HA 0.067 4.191 4.120 0.007 0.000 0.256 171 V C 2.280 178.242 176.094 -0.221 0.000 1.080 171 V CA 2.140 64.339 62.300 -0.168 0.000 1.102 171 V CB -0.716 31.060 31.823 -0.078 0.000 0.705 171 V HN 0.260 nan 8.190 nan 0.000 0.475 172 G N 0.524 108.979 108.800 -0.574 0.000 2.422 172 G HA2 -0.125 3.839 3.960 0.007 0.000 0.218 172 G HA3 -0.125 3.839 3.960 0.007 0.000 0.218 172 G C 1.539 176.426 174.900 -0.021 0.000 1.146 172 G CA 1.128 46.043 45.100 -0.308 0.000 0.769 172 G HN 0.526 nan 8.290 nan 0.000 0.547 173 L N -0.154 121.016 121.223 -0.089 0.000 2.109 173 L HA 0.071 4.415 4.340 0.007 0.000 0.207 173 L C 2.858 179.764 176.870 0.061 0.000 1.086 173 L CA 0.378 55.127 54.840 -0.152 0.000 0.760 173 L CB -0.315 41.323 42.059 -0.701 0.000 0.910 173 L HN 0.197 nan 8.230 nan 0.000 0.437 174 L N -0.490 120.764 121.223 0.052 0.000 2.056 174 L HA -0.208 4.136 4.340 0.007 0.000 0.207 174 L C 2.248 179.236 176.870 0.197 0.000 1.078 174 L CA 1.022 55.975 54.840 0.189 0.000 0.749 174 L CB -0.648 41.498 42.059 0.145 0.000 0.901 174 L HN 0.290 nan 8.230 nan 0.000 0.433 175 D N -0.068 120.439 120.400 0.178 0.000 2.158 175 D HA -0.225 4.420 4.640 0.007 0.000 0.197 175 D C 2.243 178.705 176.300 0.270 0.000 0.995 175 D CA 1.250 55.435 54.000 0.308 0.000 0.846 175 D CB -0.150 40.852 40.800 0.337 0.000 0.941 175 D HN 0.441 nan 8.370 nan 0.000 0.456 176 Q N 0.054 119.939 119.800 0.142 0.000 2.046 176 Q HA -0.079 4.265 4.340 0.007 0.000 0.200 176 Q C 2.314 178.307 176.000 -0.011 0.000 0.975 176 Q CA 0.826 56.639 55.803 0.017 0.000 0.836 176 Q CB -0.027 28.712 28.738 0.001 0.000 0.896 176 Q HN 0.175 nan 8.270 nan 0.000 0.428 177 R N 0.639 121.215 120.500 0.127 0.000 2.103 177 R HA -0.209 4.135 4.340 0.007 0.000 0.242 177 R C 2.241 178.590 176.300 0.083 0.000 1.142 177 R CA 1.294 57.448 56.100 0.091 0.000 0.960 177 R CB -0.324 30.131 30.300 0.259 0.000 0.858 177 R HN 0.228 nan 8.270 nan 0.000 0.439 178 L N 0.741 122.055 121.223 0.153 0.000 2.042 178 L HA -0.104 4.240 4.340 0.007 0.000 0.210 178 L C 2.298 179.249 176.870 0.135 0.000 1.076 178 L CA 2.230 57.195 54.840 0.208 0.000 0.749 178 L CB -0.736 41.529 42.059 0.343 0.000 0.893 178 L HN 0.273 nan 8.230 nan 0.000 0.432 179 A N -0.545 122.182 122.820 -0.156 0.000 1.933 179 A HA -0.165 4.159 4.320 0.007 0.000 0.218 179 A C 2.232 179.781 177.584 -0.059 0.000 1.175 179 A CA 1.922 53.703 52.037 -0.426 0.000 0.628 179 A CB -0.851 17.635 19.000 -0.857 0.000 0.814 179 A HN 0.530 nan 8.150 nan 0.000 0.444 180 L N -1.161 120.032 121.223 -0.050 0.000 2.046 180 L HA -0.263 4.081 4.340 0.007 0.000 0.208 180 L C 2.862 179.783 176.870 0.085 0.000 1.077 180 L CA 1.767 56.611 54.840 0.006 0.000 0.747 180 L CB -0.921 41.097 42.059 -0.069 0.000 0.896 180 L HN 0.486 nan 8.230 nan 0.000 0.432 181 Q N -0.852 119.009 119.800 0.101 0.000 2.061 181 Q HA -0.277 4.068 4.340 0.007 0.000 0.204 181 Q C 2.043 178.137 176.000 0.156 0.000 0.984 181 Q CA 2.207 58.079 55.803 0.116 0.000 0.846 181 Q CB -0.336 28.476 28.738 0.123 0.000 0.902 181 Q HN 0.504 nan 8.270 nan 0.000 0.421 182 W N 0.328 121.653 121.300 0.043 0.000 2.321 182 W HA -0.258 4.406 4.660 0.006 0.000 0.306 182 W C 1.872 178.427 176.519 0.061 0.000 1.217 182 W CA 1.519 58.905 57.345 0.068 0.000 1.257 182 W CB -0.111 29.394 29.460 0.075 0.000 1.145 182 W HN -0.105 nan 8.180 nan 0.000 0.509 183 V N 0.491 120.595 119.914 0.317 0.000 2.358 183 V HA -0.317 3.808 4.120 0.007 0.000 0.246 183 V C 2.497 178.614 176.094 0.039 0.000 1.047 183 V CA 1.916 64.340 62.300 0.206 0.000 1.035 183 V CB -0.957 31.005 31.823 0.231 0.000 0.658 183 V HN 0.188 nan 8.190 nan 0.000 0.452 184 Q N -0.011 119.813 119.800 0.039 0.000 2.096 184 Q HA -0.265 4.079 4.340 0.007 0.000 0.204 184 Q C 2.273 178.243 176.000 -0.051 0.000 0.982 184 Q CA 2.260 58.070 55.803 0.012 0.000 0.850 184 Q CB -0.218 28.534 28.738 0.023 0.000 0.901 184 Q HN 0.846 nan 8.270 nan 0.000 0.422 185 E N -0.205 119.928 120.200 -0.112 0.000 2.122 185 E HA -0.071 4.283 4.350 0.007 0.000 0.190 185 E C 1.326 177.772 176.600 -0.257 0.000 0.977 185 E CA 0.739 57.041 56.400 -0.163 0.000 0.820 185 E CB 0.257 29.862 29.700 -0.158 0.000 0.770 185 E HN 0.266 nan 8.360 nan 0.000 0.462 186 N N 0.114 118.548 118.700 -0.444 0.000 2.348 186 N HA -0.014 4.730 4.740 0.007 0.000 0.183 186 N C 1.607 176.955 175.510 -0.270 0.000 1.094 186 N CA 0.123 52.841 53.050 -0.552 0.000 0.885 186 N CB 0.244 37.973 38.487 -1.264 0.000 1.065 186 N HN 0.151 nan 8.380 nan 0.000 0.472 187 I N 2.424 122.913 120.570 -0.136 0.000 2.530 187 I HA -0.167 4.008 4.170 0.007 0.000 0.257 187 I C 2.091 178.290 176.117 0.136 0.000 1.179 187 I CA 0.510 61.882 61.300 0.120 0.000 1.440 187 I CB -0.284 37.792 38.000 0.127 0.000 1.087 187 I HN 0.052 nan 8.210 nan 0.000 0.440 188 A N 0.089 122.916 122.820 0.012 0.000 2.015 188 A HA -0.033 4.291 4.320 0.007 0.000 0.219 188 A C 2.481 180.031 177.584 -0.056 0.000 1.163 188 A CA 1.335 53.367 52.037 -0.008 0.000 0.646 188 A CB -0.999 17.978 19.000 -0.040 0.000 0.806 188 A HN 0.463 nan 8.150 nan 0.000 0.448 189 A N -1.368 121.361 122.820 -0.151 0.000 2.076 189 A HA 0.010 4.334 4.320 0.007 0.000 0.220 189 A C 1.599 178.910 177.584 -0.455 0.000 1.160 189 A CA 1.330 53.153 52.037 -0.356 0.000 0.653 189 A CB -0.642 18.022 19.000 -0.561 0.000 0.801 189 A HN 0.520 nan 8.150 nan 0.000 0.455 190 F N -1.617 118.279 119.950 -0.090 0.000 2.695 190 F HA 0.384 4.915 4.527 0.007 0.000 0.303 190 F C 1.711 177.511 175.800 0.000 0.000 1.091 190 F CA 0.610 58.572 58.000 -0.063 0.000 1.300 190 F CB 0.467 39.437 39.000 -0.050 0.000 1.071 190 F HN 0.325 nan 8.300 nan 0.000 0.578 191 G N 0.558 109.431 108.800 0.121 0.000 2.131 191 G HA2 -0.131 3.833 3.960 0.007 0.000 0.223 191 G HA3 -0.131 3.833 3.960 0.007 0.000 0.223 191 G C 0.437 175.399 174.900 0.105 0.000 0.990 191 G CA -0.314 44.839 45.100 0.089 0.000 0.671 191 G HN 0.690 nan 8.290 nan 0.000 0.521 192 G N -0.556 108.322 108.800 0.130 0.000 2.425 192 G HA2 0.519 4.483 3.960 0.007 0.000 0.302 192 G HA3 0.519 4.483 3.960 0.007 0.000 0.302 192 G C -0.868 174.080 174.900 0.079 0.000 1.159 192 G CA 0.142 45.312 45.100 0.117 0.000 0.865 192 G HN 0.252 nan 8.290 nan 0.000 0.515 193 D N 1.548 121.989 120.400 0.068 0.000 2.427 193 D HA 0.356 5.000 4.640 0.007 0.000 0.226 193 D C -1.586 174.753 176.300 0.065 0.000 1.076 193 D CA -2.435 51.590 54.000 0.042 0.000 0.849 193 D CB 2.022 42.831 40.800 0.015 0.000 1.052 193 D HN 0.007 nan 8.370 nan 0.000 0.515 194 P HA 0.031 nan 4.420 nan 0.000 0.234 194 P C 1.064 178.486 177.300 0.203 0.000 1.167 194 P CA 0.605 63.777 63.100 0.120 0.000 0.763 194 P CB 0.118 31.861 31.700 0.073 0.000 0.835 195 M N -1.811 117.833 119.600 0.073 0.000 2.428 195 M HA 0.116 4.600 4.480 0.007 0.000 0.239 195 M C 0.488 176.487 176.300 -0.502 0.000 1.121 195 M CA 0.411 55.646 55.300 -0.108 0.000 1.019 195 M CB 0.342 32.869 32.600 -0.122 0.000 1.485 195 M HN -0.270 nan 8.290 nan 0.000 0.484 196 S N 0.672 116.287 115.700 -0.141 0.000 2.216 196 S HA 0.411 4.885 4.470 0.007 0.000 0.156 196 S C -1.002 173.702 174.600 0.173 0.000 1.665 196 S CA -0.507 57.642 58.200 -0.085 0.000 1.262 196 S CB 0.392 63.539 63.200 -0.087 0.000 1.207 196 S HN -0.029 nan 8.310 nan 0.000 0.427 197 V N 3.929 124.137 119.914 0.491 0.000 2.357 197 V HA 0.510 4.634 4.120 0.007 0.000 0.284 197 V C 0.107 176.389 176.094 0.313 0.000 1.018 197 V CA -0.342 62.158 62.300 0.335 0.000 0.841 197 V CB 1.736 33.719 31.823 0.266 0.000 0.991 197 V HN 0.692 nan 8.190 nan 0.000 0.437 198 T N 6.648 121.339 114.554 0.229 0.000 2.794 198 T HA 0.636 4.991 4.350 0.007 0.000 0.280 198 T C -0.250 174.596 174.700 0.243 0.000 0.987 198 T CA -0.393 61.849 62.100 0.236 0.000 0.993 198 T CB 1.150 70.118 68.868 0.167 0.000 0.939 198 T HN 0.328 nan 8.240 nan 0.000 0.449 199 L N 4.207 125.551 121.223 0.202 0.000 2.334 199 L HA 0.725 5.069 4.340 0.007 0.000 0.277 199 L C -0.562 176.519 176.870 0.352 0.000 1.075 199 L CA -0.953 53.979 54.840 0.152 0.000 0.804 199 L CB 0.558 42.506 42.059 -0.185 0.000 1.174 199 L HN 0.645 nan 8.230 nan 0.000 0.438 200 F N 0.334 120.343 119.950 0.099 0.000 2.591 200 F HA 0.944 5.474 4.527 0.006 0.000 0.309 200 F C -0.373 175.363 175.800 -0.106 0.000 1.098 200 F CA -1.436 56.656 58.000 0.152 0.000 0.937 200 F CB 1.421 40.666 39.000 0.409 0.000 1.250 200 F HN 0.461 nan 8.300 nan 0.000 0.447 201 G N 1.503 110.094 108.800 -0.349 0.000 2.684 201 G HA2 0.540 4.504 3.960 0.007 0.000 0.290 201 G HA3 0.540 4.504 3.960 0.007 0.000 0.290 201 G C -2.325 172.285 174.900 -0.484 0.000 1.425 201 G CA -0.719 43.767 45.100 -1.023 0.000 0.822 201 G HN 0.870 nan 8.290 nan 0.000 0.482 205 G N 0.515 109.108 108.800 -0.345 0.000 2.402 205 G HA2 0.168 4.132 3.960 0.007 0.000 0.216 205 G HA3 0.168 4.132 3.960 0.007 0.000 0.216 205 G C 1.653 176.367 174.900 -0.310 0.000 1.162 205 G CA 1.659 46.506 45.100 -0.421 0.000 0.777 205 G HN 1.175 nan 8.290 nan 0.000 0.539 206 A N 1.303 124.016 122.820 -0.178 0.000 1.873 206 A HA 0.284 4.608 4.320 0.007 0.000 0.215 206 A C 2.836 180.389 177.584 -0.050 0.000 1.186 206 A CA 2.227 54.218 52.037 -0.077 0.000 0.616 206 A CB -0.900 18.116 19.000 0.028 0.000 0.823 206 A HN 0.802 nan 8.150 nan 0.000 0.442 207 A N -0.370 122.453 122.820 0.005 0.000 1.917 207 A HA -0.138 4.187 4.320 0.007 0.000 0.219 207 A C 2.451 180.017 177.584 -0.030 0.000 1.182 207 A CA 2.293 54.324 52.037 -0.009 0.000 0.633 207 A CB -0.946 18.094 19.000 0.067 0.000 0.819 207 A HN 0.468 nan 8.150 nan 0.000 0.448 208 S N -0.571 115.097 115.700 -0.053 0.000 2.356 208 S HA -0.142 4.332 4.470 0.007 0.000 0.223 208 S C 1.922 176.419 174.600 -0.172 0.000 1.032 208 S CA 1.363 59.475 58.200 -0.147 0.000 1.005 208 S CB -0.630 62.426 63.200 -0.241 0.000 0.867 208 S HN 0.354 nan 8.310 nan 0.000 0.449 209 V N 1.836 121.675 119.914 -0.125 0.000 2.231 209 V HA -0.263 3.861 4.120 0.007 0.000 0.250 209 V C 2.660 178.714 176.094 -0.066 0.000 1.058 209 V CA 2.184 64.425 62.300 -0.098 0.000 1.022 209 V CB -1.601 30.160 31.823 -0.102 0.000 0.640 209 V HN 0.612 nan 8.190 nan 0.000 0.445 210 G N -1.133 107.631 108.800 -0.061 0.000 2.469 210 G HA2 -0.328 3.636 3.960 0.007 0.000 0.219 210 G HA3 -0.328 3.636 3.960 0.007 0.000 0.219 210 G C 1.606 176.500 174.900 -0.010 0.000 1.150 210 G CA 1.391 46.466 45.100 -0.041 0.000 0.763 210 G HN 0.470 nan 8.290 nan 0.000 0.561 211 M N -0.275 119.292 119.600 -0.054 0.000 2.229 211 M HA -0.020 4.464 4.480 0.007 0.000 0.264 211 M C 2.338 178.691 176.300 0.088 0.000 1.063 211 M CA 0.929 56.233 55.300 0.005 0.000 1.114 211 M CB -0.292 32.280 32.600 -0.045 0.000 1.387 211 M HN 0.221 nan 8.290 nan 0.000 0.420 212 H N -0.026 119.136 119.070 0.152 0.000 2.389 212 H HA -0.023 4.537 4.556 0.007 0.000 0.299 212 H C 2.109 177.639 175.328 0.337 0.000 1.081 212 H CA 1.408 57.555 56.048 0.165 0.000 1.345 212 H CB -0.448 29.260 29.762 -0.090 0.000 1.393 212 H HN 0.410 nan 8.280 nan 0.000 0.520 213 I N 0.614 121.440 120.570 0.427 0.000 2.264 213 I HA -0.249 3.925 4.170 0.007 0.000 0.248 213 I C 1.910 178.202 176.117 0.292 0.000 1.111 213 I CA 1.122 62.680 61.300 0.430 0.000 1.382 213 I CB -0.081 38.056 38.000 0.228 0.000 1.060 213 I HN 0.120 nan 8.210 nan 0.000 0.418 214 L N -1.091 120.255 121.223 0.205 0.000 2.585 214 L HA 0.120 4.464 4.340 0.007 0.000 0.226 214 L C 0.927 177.844 176.870 0.079 0.000 1.113 214 L CA 0.011 54.951 54.840 0.168 0.000 0.876 214 L CB 0.085 42.221 42.059 0.128 0.000 1.072 214 L HN 0.020 nan 8.230 nan 0.000 0.468 215 S N 0.229 115.943 115.700 0.024 0.000 2.474 215 S HA 0.221 4.696 4.470 0.007 0.000 0.321 215 S C 0.955 175.483 174.600 -0.119 0.000 1.080 215 S CA -0.593 57.496 58.200 -0.185 0.000 1.106 215 S CB 1.077 63.864 63.200 -0.689 0.000 0.984 215 S HN 0.060 nan 8.310 nan 0.000 0.464 216 L N 6.752 127.913 121.223 -0.102 0.000 1.997 216 L HA 0.020 4.365 4.340 0.007 0.000 0.216 216 L C -0.878 175.953 176.870 -0.065 0.000 1.074 216 L CA 2.305 57.107 54.840 -0.064 0.000 0.763 216 L CB -2.189 39.833 42.059 -0.061 0.000 0.890 216 L HN 0.518 nan 8.230 nan 0.000 0.434 217 P HA -0.064 nan 4.420 nan 0.000 0.223 217 P C 1.652 178.943 177.300 -0.014 0.000 1.144 217 P CA 1.024 64.089 63.100 -0.059 0.000 0.783 217 P CB 0.113 31.769 31.700 -0.072 0.000 0.771 218 S N -1.147 114.566 115.700 0.023 0.000 2.470 218 S HA 0.044 4.518 4.470 0.007 0.000 0.222 218 S C 1.835 176.549 174.600 0.189 0.000 1.024 218 S CA 0.165 58.463 58.200 0.163 0.000 0.931 218 S CB -0.305 63.105 63.200 0.350 0.000 0.791 218 S HN 0.028 nan 8.310 nan 0.000 0.513 219 R N 2.192 122.719 120.500 0.045 0.000 2.139 219 R HA -0.053 4.291 4.340 0.007 0.000 0.243 219 R C 2.299 178.361 176.300 -0.396 0.000 1.145 219 R CA 1.508 57.465 56.100 -0.239 0.000 0.976 219 R CB -1.146 29.072 30.300 -0.136 0.000 0.866 219 R HN 0.569 nan 8.270 nan 0.000 0.449 220 S N -0.585 115.000 115.700 -0.192 0.000 2.603 220 S HA 0.084 4.558 4.470 0.007 0.000 0.220 220 S C 1.574 176.073 174.600 -0.169 0.000 0.967 220 S CA 0.077 58.174 58.200 -0.171 0.000 0.920 220 S CB -0.024 63.127 63.200 -0.083 0.000 0.773 220 S HN 0.251 nan 8.310 nan 0.000 0.529 221 L N 0.497 121.645 121.223 -0.126 0.000 2.693 221 L HA 0.507 4.851 4.340 0.007 0.000 0.235 221 L C -0.090 176.786 176.870 0.009 0.000 1.127 221 L CA -0.406 54.425 54.840 -0.015 0.000 0.914 221 L CB 0.087 42.195 42.059 0.081 0.000 1.193 221 L HN 0.523 nan 8.230 nan 0.000 0.502 222 F N -4.216 115.519 119.950 -0.357 0.000 2.713 222 F HA 0.480 5.010 4.527 0.006 0.000 0.311 222 F C 0.343 175.814 175.800 -0.547 0.000 1.141 222 F CA -0.967 56.785 58.000 -0.414 0.000 0.939 222 F CB 0.837 39.755 39.000 -0.136 0.000 1.325 222 F HN -0.151 nan 8.300 nan 0.000 0.453 223 H N -0.496 118.623 119.070 0.082 0.000 3.091 223 H HA 0.448 5.008 4.556 0.006 0.000 0.249 223 H C -0.096 175.264 175.328 0.053 0.000 0.985 223 H CA -0.005 56.021 56.048 -0.038 0.000 1.177 223 H CB 0.938 30.684 29.762 -0.027 0.000 1.456 223 H HN 0.444 nan 8.280 nan 0.000 0.467 224 R N 0.190 120.884 120.500 0.322 0.000 2.774 224 R HA 0.722 5.067 4.340 0.007 0.000 0.272 224 R C -1.374 175.197 176.300 0.451 0.000 1.000 224 R CA -0.683 55.594 56.100 0.295 0.000 0.906 224 R CB 2.911 33.225 30.300 0.023 0.000 1.227 224 R HN 0.146 nan 8.270 nan 0.000 0.468 225 A N 1.153 124.248 122.820 0.460 0.000 2.486 225 A HA 0.655 4.980 4.320 0.007 0.000 0.300 225 A C -1.419 176.294 177.584 0.216 0.000 1.048 225 A CA -0.608 51.620 52.037 0.319 0.000 0.696 225 A CB 1.814 20.965 19.000 0.251 0.000 1.278 225 A HN 0.317 nan 8.150 nan 0.000 0.405 226 V N 2.391 122.394 119.914 0.149 0.000 2.444 226 V HA 0.489 4.613 4.120 0.007 0.000 0.294 226 V C -1.092 175.081 176.094 0.132 0.000 1.022 226 V CA -0.330 61.993 62.300 0.038 0.000 0.850 226 V CB 1.194 33.063 31.823 0.077 0.000 0.992 226 V HN 0.677 nan 8.190 nan 0.000 0.426 227 L N 5.178 126.452 121.223 0.085 0.000 2.324 227 L HA 0.496 4.840 4.340 0.007 0.000 0.274 227 L C 0.102 177.068 176.870 0.159 0.000 1.012 227 L CA 0.074 54.966 54.840 0.086 0.000 0.859 227 L CB 1.363 43.430 42.059 0.014 0.000 1.224 227 L HN 0.628 nan 8.230 nan 0.000 0.429 228 Q N 1.726 121.673 119.800 0.245 0.000 2.296 228 Q HA 0.388 4.732 4.340 0.007 0.000 0.257 228 Q C 0.415 176.535 176.000 0.199 0.000 0.942 228 Q CA -0.410 55.590 55.803 0.328 0.000 0.939 228 Q CB 1.041 30.052 28.738 0.454 0.000 1.198 228 Q HN 0.614 nan 8.270 nan 0.000 0.429 229 S N 1.099 116.904 115.700 0.174 0.000 3.614 229 S HA -0.183 4.291 4.470 0.007 0.000 0.360 229 S C 0.039 174.814 174.600 0.292 0.000 1.023 229 S CA 0.558 58.885 58.200 0.211 0.000 1.114 229 S CB -1.182 62.134 63.200 0.193 0.000 0.907 229 S HN 0.981 nan 8.310 nan 0.000 0.470 230 G N -0.631 108.301 108.800 0.219 0.000 2.579 230 G HA2 0.663 4.627 3.960 0.007 0.000 0.292 230 G HA3 0.663 4.627 3.960 0.007 0.000 0.292 230 G C -0.943 174.030 174.900 0.121 0.000 1.484 230 G CA 0.205 45.489 45.100 0.305 0.000 0.813 230 G HN 1.003 nan 8.290 nan 0.000 0.515 231 T N -1.762 112.814 114.554 0.036 0.000 2.889 231 T HA 0.738 5.092 4.350 0.007 0.000 0.315 231 T C -2.513 172.039 174.700 -0.247 0.000 1.291 231 T CA -1.184 60.851 62.100 -0.109 0.000 1.028 231 T CB 2.980 71.771 68.868 -0.129 0.000 1.235 231 T HN 0.306 nan 8.240 nan 0.000 0.491 232 P HA 0.049 nan 4.420 nan 0.000 0.226 232 P C 0.317 177.452 177.300 -0.275 0.000 1.161 232 P CA 0.470 63.434 63.100 -0.227 0.000 0.804 232 P CB -0.056 31.567 31.700 -0.129 0.000 0.829 233 N N 0.863 119.425 118.700 -0.230 0.000 2.317 233 N HA 0.290 5.034 4.740 0.007 0.000 0.245 233 N C 0.764 176.067 175.510 -0.346 0.000 1.294 233 N CA 0.713 53.626 53.050 -0.229 0.000 0.924 233 N CB -0.128 38.271 38.487 -0.147 0.000 1.186 233 N HN 0.216 nan 8.380 nan 0.000 0.495 234 G N -1.158 107.456 108.800 -0.310 0.000 2.541 234 G HA2 -0.097 3.867 3.960 0.007 0.000 0.686 234 G HA3 -0.097 3.867 3.960 0.007 0.000 0.686 234 G C -2.394 172.261 174.900 -0.408 0.000 1.286 234 G CA -0.245 44.624 45.100 -0.385 0.000 0.894 234 G HN 0.568 nan 8.290 nan 0.000 0.575 235 P HA 0.153 nan 4.420 nan 0.000 0.249 235 P C 1.262 178.492 177.300 -0.116 0.000 1.229 235 P CA 1.602 64.563 63.100 -0.231 0.000 0.788 235 P CB -0.091 31.450 31.700 -0.265 0.000 1.072 236 W N -1.894 119.305 121.300 -0.168 0.000 2.942 236 W HA 0.518 5.182 4.660 0.006 0.000 0.260 236 W C 1.015 177.591 176.519 0.095 0.000 1.101 236 W CA 0.457 57.778 57.345 -0.041 0.000 1.436 236 W CB -0.724 28.740 29.460 0.006 0.000 0.883 236 W HN -0.171 nan 8.180 nan 0.000 0.646 237 A N 2.089 124.551 122.820 -0.597 0.000 2.167 237 A HA 0.154 4.479 4.320 0.007 0.000 0.214 237 A C 1.031 178.439 177.584 -0.292 0.000 1.151 237 A CA 1.801 53.528 52.037 -0.517 0.000 0.735 237 A CB -0.814 17.603 19.000 -0.970 0.000 0.802 237 A HN 0.259 nan 8.150 nan 0.000 0.467 238 T N -3.174 111.237 114.554 -0.239 0.000 2.864 238 T HA 0.608 4.962 4.350 0.007 0.000 0.299 238 T C -0.696 173.924 174.700 -0.133 0.000 1.166 238 T CA -0.133 61.843 62.100 -0.207 0.000 1.007 238 T CB 1.476 70.230 68.868 -0.190 0.000 1.219 238 T HN 0.846 nan 8.240 nan 0.000 0.506 239 V N -1.299 118.546 119.914 -0.114 0.000 3.040 239 V HA 0.905 5.029 4.120 0.007 0.000 0.312 239 V C 0.371 176.426 176.094 -0.064 0.000 1.115 239 V CA -0.876 61.375 62.300 -0.080 0.000 0.998 239 V CB 1.338 33.116 31.823 -0.075 0.000 1.042 239 V HN 1.381 nan 8.190 nan 0.000 0.433 240 S N 2.024 117.693 115.700 -0.051 0.000 2.589 240 S HA 0.516 4.990 4.470 0.007 0.000 0.265 240 S C 1.417 176.000 174.600 -0.029 0.000 1.342 240 S CA 0.185 58.362 58.200 -0.038 0.000 1.005 240 S CB 1.123 64.302 63.200 -0.034 0.000 0.909 240 S HN 1.992 nan 8.310 nan 0.000 0.555 241 A N 1.837 124.646 122.820 -0.020 0.000 1.933 241 A HA 0.151 4.475 4.320 0.007 0.000 0.218 241 A C 2.174 179.750 177.584 -0.014 0.000 1.175 241 A CA 1.583 53.613 52.037 -0.012 0.000 0.628 241 A CB -1.743 17.253 19.000 -0.007 0.000 0.814 241 A HN 1.130 nan 8.150 nan 0.000 0.444 242 G N -0.384 108.405 108.800 -0.017 0.000 2.404 242 G HA2 -0.200 3.764 3.960 0.007 0.000 0.215 242 G HA3 -0.200 3.764 3.960 0.007 0.000 0.215 242 G C 1.465 176.352 174.900 -0.022 0.000 1.174 242 G CA 1.261 46.350 45.100 -0.018 0.000 0.780 242 G HN 0.576 nan 8.290 nan 0.000 0.537 243 E N 1.043 121.225 120.200 -0.029 0.000 2.106 243 E HA 0.082 4.436 4.350 0.007 0.000 0.192 243 E C 2.606 179.179 176.600 -0.044 0.000 0.984 243 E CA 1.381 57.757 56.400 -0.040 0.000 0.806 243 E CB -0.520 29.151 29.700 -0.048 0.000 0.750 243 E HN 0.267 nan 8.360 nan 0.000 0.458 244 A N 0.868 123.670 122.820 -0.031 0.000 1.933 244 A HA -0.191 4.133 4.320 0.007 0.000 0.218 244 A C 2.288 179.881 177.584 0.015 0.000 1.175 244 A CA 1.761 53.795 52.037 -0.005 0.000 0.628 244 A CB -0.611 18.398 19.000 0.015 0.000 0.814 244 A HN 0.281 nan 8.150 nan 0.000 0.444 245 R N -0.598 119.901 120.500 -0.001 0.000 2.066 245 R HA -0.111 4.233 4.340 0.007 0.000 0.232 245 R C 2.469 178.768 176.300 -0.002 0.000 1.131 245 R CA 1.516 57.614 56.100 -0.003 0.000 0.955 245 R CB -0.334 29.959 30.300 -0.011 0.000 0.851 245 R HN 0.506 nan 8.270 nan 0.000 0.432 246 R N 0.448 120.942 120.500 -0.011 0.000 2.091 246 R HA -0.158 4.186 4.340 0.007 0.000 0.238 246 R C 2.209 178.504 176.300 -0.009 0.000 1.136 246 R CA 1.936 58.028 56.100 -0.013 0.000 0.959 246 R CB -0.095 30.192 30.300 -0.023 0.000 0.856 246 R HN 0.281 nan 8.270 nan 0.000 0.437 247 R N -0.296 120.190 120.500 -0.023 0.000 2.075 247 R HA -0.029 4.316 4.340 0.007 0.000 0.232 247 R C 2.403 178.777 176.300 0.124 0.000 1.126 247 R CA 1.179 57.259 56.100 -0.033 0.000 0.963 247 R CB -0.365 29.786 30.300 -0.247 0.000 0.858 247 R HN 0.235 nan 8.270 nan 0.000 0.435 248 A N 0.643 123.565 122.820 0.170 0.000 1.883 248 A HA -0.246 4.078 4.320 0.007 0.000 0.217 248 A C 2.304 179.907 177.584 0.032 0.000 1.186 248 A CA 2.326 54.444 52.037 0.135 0.000 0.624 248 A CB -1.083 17.931 19.000 0.023 0.000 0.822 248 A HN 0.437 nan 8.150 nan 0.000 0.444 249 T N -1.367 113.193 114.554 0.011 0.000 2.812 249 T HA -0.115 4.239 4.350 0.007 0.000 0.264 249 T C 1.828 176.529 174.700 0.001 0.000 1.042 249 T CA 1.574 63.668 62.100 -0.010 0.000 1.140 249 T CB -0.425 68.432 68.868 -0.017 0.000 0.870 249 T HN 0.255 nan 8.240 nan 0.000 0.445 250 L N 1.074 122.308 121.223 0.018 0.000 2.012 250 L HA 0.084 4.428 4.340 0.007 0.000 0.210 250 L C 2.393 179.284 176.870 0.034 0.000 1.073 250 L CA 1.992 56.845 54.840 0.022 0.000 0.748 250 L CB -1.216 40.860 42.059 0.028 0.000 0.891 250 L HN 0.478 nan 8.230 nan 0.000 0.431 251 L N -0.613 120.660 121.223 0.083 0.000 2.046 251 L HA -0.143 4.202 4.340 0.007 0.000 0.208 251 L C 2.502 179.375 176.870 0.005 0.000 1.077 251 L CA 1.822 56.720 54.840 0.097 0.000 0.747 251 L CB -0.638 41.550 42.059 0.215 0.000 0.896 251 L HN 0.319 nan 8.230 nan 0.000 0.432 252 A N -0.020 122.790 122.820 -0.017 0.000 1.873 252 A HA -0.292 4.032 4.320 0.007 0.000 0.218 252 A C 2.392 179.947 177.584 -0.048 0.000 1.193 252 A CA 2.157 54.168 52.037 -0.045 0.000 0.629 252 A CB -0.725 18.243 19.000 -0.055 0.000 0.826 252 A HN 0.512 nan 8.150 nan 0.000 0.447 253 R N -0.782 119.693 120.500 -0.041 0.000 2.096 253 R HA -0.137 4.207 4.340 0.007 0.000 0.240 253 R C 2.074 178.323 176.300 -0.086 0.000 1.139 253 R CA 1.748 57.819 56.100 -0.049 0.000 0.952 253 R CB -0.627 29.653 30.300 -0.033 0.000 0.854 253 R HN 0.566 nan 8.270 nan 0.000 0.436 254 L N 0.622 121.773 121.223 -0.119 0.000 2.261 254 L HA -0.119 4.226 4.340 0.007 0.000 0.216 254 L C 1.978 178.599 176.870 -0.415 0.000 1.114 254 L CA 0.735 55.415 54.840 -0.266 0.000 0.777 254 L CB -0.201 41.694 42.059 -0.273 0.000 0.910 254 L HN 0.185 nan 8.230 nan 0.000 0.440 255 V N -4.084 115.690 119.914 -0.233 0.000 3.483 255 V HA 0.521 4.645 4.120 0.007 0.000 0.301 255 V C 0.907 176.961 176.094 -0.067 0.000 1.389 255 V CA 0.065 62.280 62.300 -0.142 0.000 1.101 255 V CB -0.250 31.545 31.823 -0.047 0.000 0.971 255 V HN 0.357 nan 8.190 nan 0.000 0.434 256 G N -0.011 108.747 108.800 -0.071 0.000 2.643 256 G HA2 -0.151 3.813 3.960 0.007 0.000 0.280 256 G HA3 -0.151 3.813 3.960 0.007 0.000 0.280 256 G C -0.287 174.598 174.900 -0.025 0.000 1.120 256 G CA -0.109 44.967 45.100 -0.040 0.000 1.165 256 G HN 0.892 nan 8.290 nan 0.000 0.540 266 D N 1.586 121.975 120.400 -0.019 0.000 2.084 266 D HA -0.080 4.564 4.640 0.007 0.000 0.196 266 D C 1.461 177.745 176.300 -0.026 0.000 0.985 266 D CA 1.954 55.937 54.000 -0.028 0.000 0.826 266 D CB -0.260 40.523 40.800 -0.028 0.000 0.978 266 D HN 0.669 nan 8.370 nan 0.000 0.456 267 T N 1.213 115.759 114.554 -0.013 0.000 2.624 267 T HA -0.244 4.110 4.350 0.007 0.000 0.266 267 T C 1.821 176.520 174.700 -0.001 0.000 1.050 267 T CA 1.679 63.778 62.100 -0.003 0.000 1.163 267 T CB -0.340 68.529 68.868 0.003 0.000 0.861 267 T HN 0.290 nan 8.240 nan 0.000 0.443 268 E N 0.221 120.418 120.200 -0.005 0.000 2.047 268 E HA -0.016 4.338 4.350 0.007 0.000 0.191 268 E C 2.254 178.850 176.600 -0.007 0.000 0.987 268 E CA 0.645 57.043 56.400 -0.002 0.000 0.799 268 E CB -0.239 29.459 29.700 -0.004 0.000 0.752 268 E HN 0.378 nan 8.360 nan 0.000 0.449 269 L N 0.853 122.064 121.223 -0.020 0.000 1.971 269 L HA -0.257 4.087 4.340 0.007 0.000 0.215 269 L C 2.285 179.131 176.870 -0.041 0.000 1.072 269 L CA 1.470 56.289 54.840 -0.035 0.000 0.758 269 L CB -0.188 41.840 42.059 -0.052 0.000 0.889 269 L HN 0.160 nan 8.230 nan 0.000 0.433 270 I N -0.326 120.214 120.570 -0.050 0.000 2.226 270 I HA -0.295 3.879 4.170 0.007 0.000 0.245 270 I C 2.701 178.852 176.117 0.056 0.000 1.100 270 I CA 1.207 62.481 61.300 -0.042 0.000 1.374 270 I CB -0.561 37.413 38.000 -0.043 0.000 1.057 270 I HN 0.356 nan 8.210 nan 0.000 0.413 271 A N -0.239 122.605 122.820 0.040 0.000 1.883 271 A HA -0.312 4.012 4.320 0.007 0.000 0.217 271 A C 2.550 180.166 177.584 0.053 0.000 1.186 271 A CA 2.016 54.083 52.037 0.051 0.000 0.624 271 A CB -1.476 17.543 19.000 0.030 0.000 0.822 271 A HN 0.627 nan 8.150 nan 0.000 0.444 272 c N -0.365 118.255 118.600 0.033 0.000 2.388 272 c HA -0.138 4.437 4.570 0.007 0.000 0.277 272 c C 2.588 176.710 174.090 0.053 0.000 1.210 272 c CA 1.376 57.723 56.329 0.030 0.000 1.743 272 c CB -1.664 40.853 42.510 0.011 0.000 2.047 272 c HN 0.603 nan 8.230 nan 0.000 0.458 273 L N 0.238 121.499 121.223 0.063 0.000 2.089 273 L HA -0.213 4.131 4.340 0.007 0.000 0.213 273 L C 2.946 179.949 176.870 0.222 0.000 1.079 273 L CA 1.928 56.846 54.840 0.129 0.000 0.758 273 L CB -0.603 41.508 42.059 0.087 0.000 0.891 273 L HN 0.442 nan 8.230 nan 0.000 0.433 274 R N -1.008 119.619 120.500 0.212 0.000 2.276 274 R HA -0.080 4.264 4.340 0.007 0.000 0.203 274 R C 2.119 178.450 176.300 0.052 0.000 1.017 274 R CA 1.395 57.572 56.100 0.128 0.000 1.010 274 R CB -0.225 30.140 30.300 0.109 0.000 0.900 274 R HN 0.488 nan 8.270 nan 0.000 0.469 275 T N -1.714 112.873 114.554 0.055 0.000 3.065 275 T HA 0.113 4.468 4.350 0.007 0.000 0.252 275 T C 0.932 175.650 174.700 0.030 0.000 1.099 275 T CA -0.216 61.903 62.100 0.032 0.000 1.063 275 T CB 0.231 69.115 68.868 0.028 0.000 0.948 275 T HN -0.146 nan 8.240 nan 0.000 0.506 276 R N 2.825 123.351 120.500 0.044 0.000 2.594 276 R HA 0.385 4.729 4.340 0.007 0.000 0.272 276 R C -2.635 173.683 176.300 0.029 0.000 1.074 276 R CA -2.307 53.819 56.100 0.043 0.000 1.105 276 R CB -0.161 30.174 30.300 0.058 0.000 1.008 276 R HN 0.304 nan 8.270 nan 0.000 0.472 277 P HA 0.106 nan 4.420 nan 0.000 0.275 277 P C 0.173 177.460 177.300 -0.022 0.000 1.228 277 P CA -0.092 63.002 63.100 -0.009 0.000 0.786 277 P CB 0.649 32.353 31.700 0.006 0.000 0.927 278 A N 2.375 125.110 122.820 -0.141 0.000 1.903 278 A HA -0.299 4.025 4.320 0.007 0.000 0.219 278 A C 2.175 179.675 177.584 -0.140 0.000 1.191 278 A CA 2.139 54.039 52.037 -0.228 0.000 0.638 278 A CB -1.485 16.904 19.000 -1.018 0.000 0.823 278 A HN 0.548 nan 8.150 nan 0.000 0.451 279 Q N -0.163 119.532 119.800 -0.174 0.000 2.234 279 Q HA -0.173 4.171 4.340 0.007 0.000 0.206 279 Q C 1.279 177.390 176.000 0.185 0.000 0.980 279 Q CA 2.017 57.901 55.803 0.135 0.000 0.869 279 Q CB -0.432 28.421 28.738 0.193 0.000 0.912 279 Q HN 0.669 nan 8.270 nan 0.000 0.436 280 D N -0.777 119.709 120.400 0.144 0.000 2.117 280 D HA -0.113 4.532 4.640 0.007 0.000 0.198 280 D C 1.659 178.109 176.300 0.251 0.000 0.982 280 D CA 1.029 55.149 54.000 0.199 0.000 0.828 280 D CB -0.082 40.812 40.800 0.156 0.000 0.967 280 D HN 0.290 nan 8.370 nan 0.000 0.464 281 L N -0.048 121.280 121.223 0.175 0.000 2.017 281 L HA -0.136 4.208 4.340 0.007 0.000 0.208 281 L C 2.458 179.435 176.870 0.179 0.000 1.073 281 L CA 0.624 55.529 54.840 0.110 0.000 0.745 281 L CB -0.585 41.406 42.059 -0.114 0.000 0.894 281 L HN -0.025 nan 8.230 nan 0.000 0.432 282 V N -0.059 120.022 119.914 0.278 0.000 2.287 282 V HA -0.311 3.813 4.120 0.007 0.000 0.248 282 V C 2.017 178.307 176.094 0.327 0.000 1.053 282 V CA 1.995 64.515 62.300 0.366 0.000 1.027 282 V CB -0.609 31.531 31.823 0.529 0.000 0.646 282 V HN 0.426 nan 8.190 nan 0.000 0.447 283 D N -1.034 119.525 120.400 0.265 0.000 2.311 283 D HA -0.145 4.500 4.640 0.007 0.000 0.212 283 D C 1.680 177.980 176.300 -0.001 0.000 0.972 283 D CA 1.368 55.445 54.000 0.129 0.000 0.887 283 D CB -0.197 40.615 40.800 0.019 0.000 0.915 283 D HN 0.670 nan 8.370 nan 0.000 0.497 284 H N -1.563 117.689 119.070 0.304 0.000 3.058 284 H HA 0.123 4.683 4.556 0.007 0.000 0.266 284 H C 1.440 176.923 175.328 0.258 0.000 1.135 284 H CA 0.050 56.351 56.048 0.422 0.000 1.174 284 H CB 0.543 30.496 29.762 0.318 0.000 1.581 284 H HN 0.185 nan 8.280 nan 0.000 0.553 285 E N 0.286 120.610 120.200 0.206 0.000 2.338 285 E HA -0.178 4.176 4.350 0.007 0.000 0.197 285 E C 0.601 177.090 176.600 -0.183 0.000 1.007 285 E CA 0.882 57.338 56.400 0.093 0.000 0.849 285 E CB -0.120 29.595 29.700 0.024 0.000 0.774 285 E HN 0.561 nan 8.360 nan 0.000 0.506 286 W N 0.235 121.446 121.300 -0.149 0.000 3.290 286 W HA 0.150 4.814 4.660 0.006 0.000 0.287 286 W C 1.548 177.924 176.519 -0.239 0.000 1.288 286 W CA -0.233 56.945 57.345 -0.277 0.000 1.725 286 W CB 0.388 29.590 29.460 -0.430 0.000 1.103 286 W HN 0.191 nan 8.180 nan 0.000 0.670 287 H N -0.359 118.840 119.070 0.215 0.000 2.548 287 H HA 0.030 4.591 4.556 0.007 0.000 0.265 287 H C 2.025 177.410 175.328 0.095 0.000 0.969 287 H CA 1.142 57.289 56.048 0.166 0.000 1.155 287 H CB -0.264 29.625 29.762 0.212 0.000 1.394 287 H HN 0.213 nan 8.280 nan 0.000 0.570 288 V N -1.561 118.430 119.914 0.128 0.000 3.647 288 V HA 0.209 4.333 4.120 0.007 0.000 0.279 288 V C 0.748 176.820 176.094 -0.035 0.000 1.314 288 V CA -0.047 62.271 62.300 0.031 0.000 1.125 288 V CB -0.631 31.176 31.823 -0.026 0.000 0.907 288 V HN -0.019 nan 8.190 nan 0.000 0.434 289 L N 2.222 123.440 121.223 -0.009 0.000 2.380 289 L HA 0.332 4.676 4.340 0.007 0.000 0.273 289 L C -0.374 176.493 176.870 -0.005 0.000 1.138 289 L CA -1.289 53.535 54.840 -0.025 0.000 0.832 289 L CB 0.975 43.041 42.059 0.011 0.000 1.124 289 L HN 0.103 nan 8.230 nan 0.000 0.454 290 P HA -0.110 nan 4.420 nan 0.000 0.218 290 P C -0.293 177.009 177.300 0.002 0.000 1.149 290 P CA 1.192 64.286 63.100 -0.010 0.000 0.817 290 P CB 0.365 32.053 31.700 -0.019 0.000 0.785 291 Q N -1.245 118.557 119.800 0.003 0.000 2.456 291 Q HA 0.323 4.667 4.340 0.007 0.000 0.283 291 Q C -0.605 175.401 176.000 0.011 0.000 1.084 291 Q CA -0.742 55.066 55.803 0.007 0.000 0.801 291 Q CB 1.388 30.127 28.738 0.002 0.000 1.434 291 Q HN -0.025 nan 8.270 nan 0.000 0.419 292 E N 1.215 121.423 120.200 0.013 0.000 2.493 292 E HA 0.211 4.565 4.350 0.007 0.000 0.255 292 E C -0.883 175.718 176.600 0.001 0.000 0.999 292 E CA 0.210 56.616 56.400 0.011 0.000 0.934 292 E CB 0.298 30.006 29.700 0.013 0.000 0.940 292 E HN 0.600 nan 8.360 nan 0.000 0.473 293 S N 3.784 119.479 115.700 -0.007 0.000 2.625 293 S HA 0.681 5.155 4.470 0.007 0.000 0.271 293 S C -0.515 174.065 174.600 -0.033 0.000 1.161 293 S CA -1.014 57.174 58.200 -0.019 0.000 0.820 293 S CB 0.984 64.166 63.200 -0.029 0.000 1.137 293 S HN 0.530 nan 8.310 nan 0.000 0.470 294 I N -2.711 117.838 120.570 -0.035 0.000 2.892 294 I HA 0.805 4.979 4.170 0.007 0.000 0.306 294 I C -0.224 175.837 176.117 -0.094 0.000 1.078 294 I CA -1.157 60.118 61.300 -0.041 0.000 1.032 294 I CB 1.320 39.346 38.000 0.043 0.000 1.229 294 I HN 0.778 nan 8.210 nan 0.000 0.435 295 F N 1.740 121.425 119.950 -0.443 0.000 3.093 295 F HA -0.184 4.347 4.527 0.007 0.000 0.287 295 F C -0.288 174.908 175.800 -1.006 0.000 0.882 295 F CA 0.617 58.107 58.000 -0.850 0.000 1.063 295 F CB -0.642 37.843 39.000 -0.858 0.000 1.097 295 F HN 0.601 nan 8.300 nan 0.000 0.604 296 R N 0.403 120.452 120.500 -0.752 0.000 2.621 296 R HA 0.642 4.986 4.340 0.007 0.000 0.292 296 R C -0.976 174.954 176.300 -0.617 0.000 0.969 296 R CA -0.531 55.209 56.100 -0.601 0.000 0.887 296 R CB 1.424 31.606 30.300 -0.195 0.000 1.180 296 R HN 0.007 nan 8.270 nan 0.000 0.450 297 F N -0.674 119.373 119.950 0.160 0.000 2.551 297 F HA 0.340 4.870 4.527 0.006 0.000 0.316 297 F C 1.516 177.236 175.800 -0.132 0.000 1.089 297 F CA -0.802 57.230 58.000 0.052 0.000 0.915 297 F CB 1.929 41.074 39.000 0.241 0.000 1.186 297 F HN 0.356 nan 8.300 nan 0.000 0.456 298 S N 0.958 116.515 115.700 -0.237 0.000 2.355 298 S HA -0.001 4.473 4.470 0.007 0.000 0.222 298 S C -0.044 174.127 174.600 -0.716 0.000 1.031 298 S CA 1.233 59.120 58.200 -0.523 0.000 0.993 298 S CB -0.190 62.597 63.200 -0.687 0.000 0.859 298 S HN 0.361 nan 8.310 nan 0.000 0.453 299 F N 1.166 121.116 119.950 -0.000 0.000 2.445 299 F HA 0.537 5.068 4.527 0.007 0.000 0.348 299 F C -0.102 175.698 175.800 0.001 0.000 1.125 299 F CA -0.979 57.050 58.000 0.048 0.000 0.983 299 F CB 1.396 40.459 39.000 0.105 0.000 1.198 299 F HN -0.135 nan 8.300 nan 0.000 0.436 300 V N 0.604 120.487 119.914 -0.051 0.000 3.158 300 V HA 0.750 4.874 4.120 0.007 0.000 0.311 300 V C -2.879 172.840 176.094 -0.624 0.000 1.181 300 V CA -3.416 58.544 62.300 -0.567 0.000 1.054 300 V CB 1.897 33.564 31.823 -0.261 0.000 1.085 300 V HN 0.289 nan 8.190 nan 0.000 0.446 301 P HA 0.105 nan 4.420 nan 0.000 0.261 301 P C -0.547 176.612 177.300 -0.236 0.000 1.173 301 P CA 0.526 63.339 63.100 -0.477 0.000 0.760 301 P CB 0.502 31.852 31.700 -0.584 0.000 0.783 302 V N 5.490 125.346 119.914 -0.096 0.000 2.539 302 V HA 0.148 4.273 4.120 0.007 0.000 0.292 302 V C -0.011 176.058 176.094 -0.041 0.000 1.045 302 V CA -0.728 61.539 62.300 -0.056 0.000 0.945 302 V CB 1.689 33.509 31.823 -0.004 0.000 0.993 302 V HN 0.161 nan 8.190 nan 0.000 0.464 303 V N 7.571 127.463 119.914 -0.037 0.000 2.356 303 V HA 0.096 4.220 4.120 0.007 0.000 0.244 303 V C 0.918 177.017 176.094 0.010 0.000 1.120 303 V CA 0.435 62.729 62.300 -0.010 0.000 1.181 303 V CB -0.318 31.492 31.823 -0.022 0.000 1.244 303 V HN 1.062 nan 8.190 nan 0.000 0.487 304 D N 2.509 122.930 120.400 0.035 0.000 2.350 304 D HA 0.097 4.741 4.640 0.007 0.000 0.213 304 D C 1.610 177.934 176.300 0.041 0.000 1.031 304 D CA 0.674 54.698 54.000 0.040 0.000 0.861 304 D CB 0.244 41.081 40.800 0.062 0.000 0.926 304 D HN 0.655 nan 8.370 nan 0.000 0.520 305 G N 0.753 109.577 108.800 0.041 0.000 2.155 305 G HA2 -0.344 3.620 3.960 0.007 0.000 0.257 305 G HA3 -0.344 3.620 3.960 0.007 0.000 0.257 305 G C 0.406 175.331 174.900 0.041 0.000 0.983 305 G CA 0.895 46.015 45.100 0.033 0.000 0.676 305 G HN 0.571 nan 8.290 nan 0.000 0.528 306 D N -1.678 118.764 120.400 0.070 0.000 3.028 306 D HA 0.226 4.870 4.640 0.007 0.000 0.205 306 D C 1.730 178.089 176.300 0.099 0.000 1.489 306 D CA 0.433 54.478 54.000 0.076 0.000 1.452 306 D CB -0.669 40.183 40.800 0.087 0.000 1.052 306 D HN 0.072 nan 8.370 nan 0.000 0.221 307 F N 1.176 121.138 119.950 0.019 0.000 2.065 307 F HA 0.106 4.637 4.527 0.006 0.000 0.298 307 F C 0.652 176.458 175.800 0.011 0.000 1.112 307 F CA 1.331 59.344 58.000 0.022 0.000 1.212 307 F CB 0.052 39.065 39.000 0.020 0.000 0.975 307 F HN 0.009 nan 8.300 nan 0.000 0.476 308 L N 0.778 122.178 121.223 0.296 0.000 2.262 308 L HA 0.179 4.523 4.340 0.007 0.000 0.288 308 L C 1.406 178.323 176.870 0.078 0.000 1.035 308 L CA -0.157 54.779 54.840 0.161 0.000 0.820 308 L CB 1.342 43.480 42.059 0.132 0.000 1.204 308 L HN 0.120 nan 8.230 nan 0.000 0.424 309 S N 0.810 116.535 115.700 0.042 0.000 2.402 309 S HA -0.035 4.439 4.470 0.007 0.000 0.229 309 S C 0.517 175.128 174.600 0.018 0.000 1.021 309 S CA 0.539 58.752 58.200 0.022 0.000 0.974 309 S CB 0.201 63.404 63.200 0.005 0.000 0.800 309 S HN 0.695 nan 8.310 nan 0.000 0.484 310 D N 0.422 120.833 120.400 0.018 0.000 2.744 310 D HA 0.342 4.986 4.640 0.007 0.000 0.304 310 D C -0.653 175.650 176.300 0.006 0.000 1.179 310 D CA -0.025 53.980 54.000 0.009 0.000 1.024 310 D CB 1.668 42.471 40.800 0.005 0.000 1.453 310 D HN 0.262 nan 8.370 nan 0.000 0.529 311 T N -1.025 113.525 114.554 -0.007 0.000 2.932 311 T HA 0.191 4.545 4.350 0.007 0.000 0.312 311 T C -1.805 172.885 174.700 -0.017 0.000 1.071 311 T CA -0.674 61.413 62.100 -0.023 0.000 1.128 311 T CB 0.989 69.837 68.868 -0.034 0.000 0.984 311 T HN 0.110 nan 8.240 nan 0.000 0.549 312 P HA -0.107 nan 4.420 nan 0.000 0.215 312 P C 1.546 178.831 177.300 -0.024 0.000 1.153 312 P CA 1.052 64.132 63.100 -0.033 0.000 0.853 312 P CB 0.038 31.686 31.700 -0.086 0.000 0.788 313 E N -0.374 119.801 120.200 -0.042 0.000 2.086 313 E HA -0.273 4.081 4.350 0.007 0.000 0.200 313 E C 1.867 178.468 176.600 0.001 0.000 1.012 313 E CA 1.630 58.014 56.400 -0.027 0.000 0.812 313 E CB -0.467 29.210 29.700 -0.038 0.000 0.743 313 E HN 0.105 nan 8.360 nan 0.000 0.453 314 A N 0.620 123.441 122.820 0.001 0.000 1.929 314 A HA -0.091 4.234 4.320 0.007 0.000 0.216 314 A C 2.188 179.791 177.584 0.031 0.000 1.176 314 A CA 0.893 52.937 52.037 0.011 0.000 0.628 314 A CB -0.441 18.560 19.000 0.002 0.000 0.816 314 A HN 0.262 nan 8.150 nan 0.000 0.444 315 L N -0.093 121.157 121.223 0.045 0.000 2.156 315 L HA -0.093 4.251 4.340 0.007 0.000 0.208 315 L C 2.549 179.517 176.870 0.164 0.000 1.095 315 L CA 1.317 56.205 54.840 0.080 0.000 0.770 315 L CB -0.629 41.481 42.059 0.085 0.000 0.914 315 L HN 0.653 nan 8.230 nan 0.000 0.439 316 I N -2.853 117.814 120.570 0.161 0.000 2.353 316 I HA -0.124 4.051 4.170 0.007 0.000 0.248 316 I C 2.102 178.348 176.117 0.214 0.000 1.119 316 I CA 1.230 62.676 61.300 0.244 0.000 1.417 316 I CB -0.510 37.545 38.000 0.092 0.000 1.078 316 I HN 0.115 nan 8.210 nan 0.000 0.421 317 N N 1.291 120.058 118.700 0.110 0.000 2.205 317 N HA -0.124 4.621 4.740 0.007 0.000 0.186 317 N C 1.175 176.725 175.510 0.066 0.000 1.015 317 N CA 1.965 55.062 53.050 0.078 0.000 0.862 317 N CB -0.342 38.170 38.487 0.042 0.000 0.986 317 N HN 0.706 nan 8.380 nan 0.000 0.429 318 T N -2.599 111.985 114.554 0.049 0.000 3.732 318 T HA 0.608 4.962 4.350 0.007 0.000 0.234 318 T C 0.020 174.680 174.700 -0.068 0.000 1.146 318 T CA -0.753 61.344 62.100 -0.004 0.000 1.454 318 T CB 0.218 69.080 68.868 -0.009 0.000 0.910 318 T HN 0.079 nan 8.240 nan 0.000 0.640 319 G N 0.057 108.774 108.800 -0.137 0.000 2.533 319 G HA2 0.574 4.538 3.960 0.007 0.000 0.304 319 G HA3 0.574 4.538 3.960 0.007 0.000 0.304 319 G C -1.842 172.632 174.900 -0.710 0.000 1.263 319 G CA -0.775 44.039 45.100 -0.477 0.000 0.964 319 G HN 0.298 nan 8.290 nan 0.000 0.479 320 D N -0.115 119.823 120.400 -0.770 0.000 2.373 320 D HA 0.472 5.116 4.640 0.007 0.000 0.227 320 D C -0.503 175.411 176.300 -0.643 0.000 1.091 320 D CA -0.564 53.126 54.000 -0.516 0.000 0.840 320 D CB 0.645 41.284 40.800 -0.268 0.000 1.060 320 D HN 0.078 nan 8.370 nan 0.000 0.502 321 F N 2.372 122.328 119.950 0.011 0.000 2.791 321 F HA 0.220 4.750 4.527 0.007 0.000 0.308 321 F C 1.894 177.703 175.800 0.015 0.000 1.138 321 F CA -0.480 57.530 58.000 0.017 0.000 1.294 321 F CB 0.073 39.093 39.000 0.033 0.000 0.975 321 F HN 0.302 nan 8.300 nan 0.000 0.512 322 Q N 1.019 120.872 119.800 0.089 0.000 2.045 322 Q HA -0.298 4.047 4.340 0.007 0.000 0.215 322 Q C 1.982 178.024 176.000 0.069 0.000 1.026 322 Q CA 2.538 58.375 55.803 0.057 0.000 0.885 322 Q CB -0.310 28.434 28.738 0.011 0.000 0.984 322 Q HN 0.274 nan 8.270 nan 0.000 0.414 323 D N -1.207 119.232 120.400 0.063 0.000 2.264 323 D HA -0.061 4.583 4.640 0.007 0.000 0.208 323 D C -0.322 176.020 176.300 0.070 0.000 0.966 323 D CA 0.120 54.149 54.000 0.048 0.000 0.864 323 D CB 0.040 40.853 40.800 0.021 0.000 0.933 323 D HN 0.091 nan 8.370 nan 0.000 0.499 324 L N 1.424 122.719 121.223 0.119 0.000 2.360 324 L HA 0.201 4.545 4.340 0.007 0.000 0.276 324 L C -0.377 176.572 176.870 0.131 0.000 1.121 324 L CA 0.211 55.129 54.840 0.131 0.000 0.845 324 L CB 1.140 43.298 42.059 0.166 0.000 1.143 324 L HN -0.128 nan 8.230 nan 0.000 0.452 325 Q N 2.985 122.874 119.800 0.149 0.000 2.282 325 Q HA 0.745 5.089 4.340 0.007 0.000 0.260 325 Q C -1.277 174.977 176.000 0.422 0.000 0.964 325 Q CA -0.423 55.520 55.803 0.232 0.000 0.880 325 Q CB 2.664 31.480 28.738 0.131 0.000 1.286 325 Q HN 0.422 nan 8.270 nan 0.000 0.445 326 V N 2.717 122.884 119.914 0.421 0.000 2.777 326 V HA 0.432 4.556 4.120 0.007 0.000 0.306 326 V C -1.851 174.222 176.094 -0.035 0.000 1.112 326 V CA -0.799 61.645 62.300 0.238 0.000 0.917 326 V CB 2.285 34.164 31.823 0.094 0.000 1.018 326 V HN 0.614 nan 8.190 nan 0.000 0.426 327 L N 7.943 128.906 121.223 -0.433 0.000 2.313 327 L HA 0.895 5.240 4.340 0.007 0.000 0.283 327 L C -0.555 176.203 176.870 -0.187 0.000 1.013 327 L CA -0.180 54.340 54.840 -0.534 0.000 0.816 327 L CB 1.605 42.886 42.059 -1.296 0.000 1.236 327 L HN 0.578 nan 8.230 nan 0.000 0.419 328 V N 2.238 122.120 119.914 -0.054 0.000 2.962 328 V HA 1.131 5.255 4.120 0.007 0.000 0.313 328 V C -0.283 175.618 176.094 -0.321 0.000 1.099 328 V CA 0.215 62.461 62.300 -0.090 0.000 0.971 328 V CB 1.307 33.048 31.823 -0.136 0.000 1.028 328 V HN 1.102 nan 8.190 nan 0.000 0.430 329 G N 1.029 109.489 108.800 -0.566 0.000 2.441 329 G HA2 0.767 4.731 3.960 0.007 0.000 0.294 329 G HA3 0.767 4.731 3.960 0.007 0.000 0.294 329 G C -1.207 173.375 174.900 -0.530 0.000 1.393 329 G CA 0.068 44.465 45.100 -1.173 0.000 0.796 329 G HN 2.092 nan 8.290 nan 0.000 0.494 330 V N -2.225 117.494 119.914 -0.326 0.000 3.130 330 V HA 0.916 5.040 4.120 0.007 0.000 0.310 330 V C 0.451 176.689 176.094 0.239 0.000 1.158 330 V CA -0.454 61.863 62.300 0.029 0.000 1.029 330 V CB 1.109 32.937 31.823 0.009 0.000 1.057 330 V HN 1.758 nan 8.190 nan 0.000 0.436 331 V N -0.147 119.939 119.914 0.285 0.000 3.170 331 V HA 0.531 4.655 4.120 0.007 0.000 0.309 331 V C 1.464 177.729 176.094 0.285 0.000 1.071 331 V CA 0.150 62.670 62.300 0.367 0.000 1.063 331 V CB 0.875 32.898 31.823 0.333 0.000 1.123 331 V HN 1.075 nan 8.190 nan 0.000 0.464 332 K N -0.332 120.238 120.400 0.283 0.000 2.057 332 K HA -0.056 4.268 4.320 0.007 0.000 0.206 332 K C 0.453 177.166 176.600 0.189 0.000 1.050 332 K CA 1.783 58.193 56.287 0.206 0.000 0.935 332 K CB 0.048 32.649 32.500 0.168 0.000 0.715 332 K HN 0.897 nan 8.250 nan 0.000 0.439 333 D N 1.303 121.821 120.400 0.197 0.000 2.483 333 D HA 0.031 4.675 4.640 0.007 0.000 0.281 333 D C 0.123 176.553 176.300 0.215 0.000 1.174 333 D CA -0.054 54.054 54.000 0.181 0.000 0.938 333 D CB 1.434 42.318 40.800 0.139 0.000 1.002 333 D HN 0.155 nan 8.370 nan 0.000 0.501 334 E N 0.736 121.080 120.200 0.241 0.000 2.153 334 E HA -0.103 4.251 4.350 0.007 0.000 0.194 334 E C 1.962 178.788 176.600 0.378 0.000 0.988 334 E CA 0.598 57.192 56.400 0.324 0.000 0.811 334 E CB 0.178 30.040 29.700 0.269 0.000 0.746 334 E HN 0.467 nan 8.360 nan 0.000 0.466 335 G N 1.037 110.008 108.800 0.284 0.000 2.494 335 G HA2 -0.177 3.787 3.960 0.007 0.000 0.216 335 G HA3 -0.177 3.787 3.960 0.007 0.000 0.216 335 G C 1.743 176.820 174.900 0.295 0.000 1.140 335 G CA 0.866 46.154 45.100 0.313 0.000 0.801 335 G HN 0.370 nan 8.290 nan 0.000 0.536 336 S N 0.202 116.013 115.700 0.184 0.000 2.359 336 S HA -0.276 4.199 4.470 0.007 0.000 0.224 336 S C 2.134 176.702 174.600 -0.054 0.000 1.035 336 S CA 1.470 59.719 58.200 0.081 0.000 1.018 336 S CB -0.853 62.300 63.200 -0.077 0.000 0.876 336 S HN 0.450 nan 8.310 nan 0.000 0.448 337 Y N 1.851 121.973 120.300 -0.297 0.000 2.151 337 Y HA -0.183 4.371 4.550 0.007 0.000 0.284 337 Y C 1.734 177.397 175.900 -0.395 0.000 1.166 337 Y CA 1.946 59.699 58.100 -0.578 0.000 1.163 337 Y CB -0.526 37.465 38.460 -0.783 0.000 0.974 337 Y HN 0.304 nan 8.280 nan 0.000 0.511 338 F N -0.766 119.247 119.950 0.106 0.000 2.558 338 F HA -0.061 4.470 4.527 0.006 0.000 0.298 338 F C 1.872 177.713 175.800 0.067 0.000 1.119 338 F CA 0.498 58.550 58.000 0.087 0.000 1.451 338 F CB -0.337 38.652 39.000 -0.019 0.000 1.091 338 F HN 0.017 nan 8.300 nan 0.000 0.563 339 L N -0.014 121.288 121.223 0.132 0.000 2.217 339 L HA -0.106 4.238 4.340 0.007 0.000 0.211 339 L C 2.311 179.228 176.870 0.077 0.000 1.107 339 L CA 0.840 55.652 54.840 -0.047 0.000 0.783 339 L CB -0.774 41.054 42.059 -0.385 0.000 0.919 339 L HN 0.170 nan 8.230 nan 0.000 0.442 340 V N -4.961 115.029 119.914 0.127 0.000 3.510 340 V HA -0.153 3.972 4.120 0.007 0.000 0.270 340 V C 1.211 177.243 176.094 -0.102 0.000 1.201 340 V CA 0.745 63.108 62.300 0.106 0.000 1.166 340 V CB -1.209 30.698 31.823 0.138 0.000 0.825 340 V HN 0.298 nan 8.190 nan 0.000 0.484 341 Y N 1.857 122.156 120.300 -0.002 0.000 2.645 341 Y HA 0.636 5.190 4.550 0.007 0.000 0.307 341 Y C 1.572 177.440 175.900 -0.054 0.000 1.151 341 Y CA 0.283 58.352 58.100 -0.052 0.000 1.291 341 Y CB 0.508 38.931 38.460 -0.062 0.000 1.135 341 Y HN 0.434 nan 8.280 nan 0.000 0.523 342 G N -0.517 108.327 108.800 0.074 0.000 2.215 342 G HA2 -0.117 3.847 3.960 0.007 0.000 0.187 342 G HA3 -0.117 3.847 3.960 0.007 0.000 0.187 342 G C -0.950 173.990 174.900 0.067 0.000 1.039 342 G CA -0.591 44.537 45.100 0.047 0.000 0.771 342 G HN 0.011 nan 8.290 nan 0.000 0.507 343 V N 1.780 121.759 119.914 0.108 0.000 2.347 343 V HA 0.455 4.579 4.120 0.007 0.000 0.280 343 V C -1.868 174.384 176.094 0.264 0.000 1.021 343 V CA -1.807 60.587 62.300 0.156 0.000 0.847 343 V CB 1.537 33.412 31.823 0.087 0.000 0.990 343 V HN 0.131 nan 8.190 nan 0.000 0.444 344 P HA 0.346 nan 4.420 nan 0.000 0.267 344 P C 0.973 178.342 177.300 0.114 0.000 1.205 344 P CA 0.976 64.149 63.100 0.121 0.000 0.765 344 P CB 0.911 32.651 31.700 0.066 0.000 0.828 345 G N 1.582 110.385 108.800 0.006 0.000 2.481 345 G HA2 -0.179 3.785 3.960 0.007 0.000 0.200 345 G HA3 -0.179 3.785 3.960 0.007 0.000 0.200 345 G C -0.246 174.424 174.900 -0.385 0.000 1.012 345 G CA -0.591 44.371 45.100 -0.231 0.000 0.676 345 G HN 0.386 nan 8.290 nan 0.000 0.488 346 F N 1.764 121.695 119.950 -0.031 0.000 2.399 346 F HA 0.818 5.349 4.527 0.007 0.000 0.334 346 F C 0.710 176.564 175.800 0.090 0.000 1.097 346 F CA 0.037 58.030 58.000 -0.012 0.000 1.076 346 F CB 2.119 41.160 39.000 0.069 0.000 1.162 346 F HN 0.219 nan 8.300 nan 0.000 0.495 347 S N 0.828 116.734 115.700 0.342 0.000 2.567 347 S HA 0.270 4.744 4.470 0.007 0.000 0.270 347 S C 0.127 174.994 174.600 0.444 0.000 1.152 347 S CA -0.846 57.556 58.200 0.337 0.000 0.835 347 S CB 1.327 64.630 63.200 0.171 0.000 1.115 347 S HN 0.743 nan 8.310 nan 0.000 0.459 348 K N 0.812 121.356 120.400 0.239 0.000 2.366 348 K HA 0.158 4.482 4.320 0.007 0.000 0.198 348 K C 0.104 176.699 176.600 -0.008 0.000 1.044 348 K CA 1.035 57.359 56.287 0.061 0.000 0.973 348 K CB -0.102 32.103 32.500 -0.492 0.000 0.767 348 K HN 0.420 nan 8.250 nan 0.000 0.475 349 D N 0.908 121.298 120.400 -0.016 0.000 2.339 349 D HA 0.019 4.663 4.640 0.007 0.000 0.217 349 D C -0.247 176.060 176.300 0.012 0.000 1.050 349 D CA 0.304 54.274 54.000 -0.051 0.000 0.856 349 D CB 0.115 40.870 40.800 -0.075 0.000 0.922 349 D HN 0.508 nan 8.370 nan 0.000 0.518 350 N N -1.276 117.466 118.700 0.072 0.000 3.344 350 N HA 0.074 4.819 4.740 0.007 0.000 0.296 350 N C 0.373 175.906 175.510 0.039 0.000 1.571 350 N CA -0.509 52.561 53.050 0.032 0.000 0.844 350 N CB 0.752 39.217 38.487 -0.037 0.000 1.718 350 N HN -0.424 nan 8.380 nan 0.000 0.589 351 E N -0.415 119.730 120.200 -0.092 0.000 2.358 351 E HA 0.047 4.401 4.350 0.007 0.000 0.195 351 E C -0.390 175.806 176.600 -0.673 0.000 1.010 351 E CA 0.640 56.908 56.400 -0.220 0.000 0.856 351 E CB -0.511 29.110 29.700 -0.131 0.000 0.795 351 E HN 0.578 nan 8.360 nan 0.000 0.504 352 S N 0.198 115.545 115.700 -0.588 0.000 3.749 352 S HA -0.179 4.295 4.470 0.007 0.000 0.348 352 S C 0.291 174.434 174.600 -0.762 0.000 1.045 352 S CA 0.140 57.860 58.200 -0.800 0.000 1.051 352 S CB -2.041 60.431 63.200 -1.213 0.000 0.898 352 S HN 0.274 nan 8.310 nan 0.000 0.472 353 L N 1.442 122.379 121.223 -0.477 0.000 2.410 353 L HA 0.502 4.846 4.340 0.007 0.000 0.273 353 L C 0.633 177.288 176.870 -0.359 0.000 1.152 353 L CA -0.039 54.589 54.840 -0.354 0.000 0.855 353 L CB 0.320 42.246 42.059 -0.222 0.000 1.129 353 L HN 0.462 nan 8.230 nan 0.000 0.463 354 I N -0.297 120.081 120.570 -0.321 0.000 3.002 354 I HA 0.634 4.808 4.170 0.007 0.000 0.310 354 I C 0.170 176.207 176.117 -0.133 0.000 1.087 354 I CA -0.704 60.436 61.300 -0.267 0.000 1.017 354 I CB 2.098 39.903 38.000 -0.325 0.000 1.226 354 I HN 0.523 nan 8.210 nan 0.000 0.443 355 S N 1.906 117.560 115.700 -0.077 0.000 2.652 355 S HA 0.427 4.901 4.470 0.007 0.000 0.270 355 S C 0.881 175.500 174.600 0.033 0.000 1.243 355 S CA -0.533 57.650 58.200 -0.028 0.000 0.999 355 S CB 1.708 64.897 63.200 -0.018 0.000 0.973 355 S HN 0.885 nan 8.310 nan 0.000 0.544 356 R N 0.813 121.337 120.500 0.039 0.000 2.105 356 R HA -0.103 4.242 4.340 0.007 0.000 0.239 356 R C 2.298 178.695 176.300 0.161 0.000 1.135 356 R CA 1.638 57.801 56.100 0.103 0.000 0.967 356 R CB -1.124 29.215 30.300 0.065 0.000 0.861 356 R HN 0.847 nan 8.270 nan 0.000 0.442 357 A N 0.687 123.564 122.820 0.095 0.000 1.883 357 A HA -0.255 4.069 4.320 0.007 0.000 0.217 357 A C 2.066 179.707 177.584 0.094 0.000 1.186 357 A CA 1.769 53.855 52.037 0.082 0.000 0.624 357 A CB -0.636 18.393 19.000 0.048 0.000 0.822 357 A HN 0.548 nan 8.150 nan 0.000 0.444 358 Q N -2.016 117.837 119.800 0.089 0.000 2.226 358 Q HA -0.138 4.207 4.340 0.007 0.000 0.204 358 Q C 1.838 177.953 176.000 0.190 0.000 0.975 358 Q CA 1.502 57.364 55.803 0.098 0.000 0.866 358 Q CB -0.266 28.491 28.738 0.031 0.000 0.915 358 Q HN 0.824 nan 8.270 nan 0.000 0.440 359 F N 0.704 120.685 119.950 0.053 0.000 2.098 359 F HA -0.135 4.395 4.527 0.006 0.000 0.294 359 F C 1.740 177.579 175.800 0.065 0.000 1.107 359 F CA 0.859 58.904 58.000 0.075 0.000 1.234 359 F CB 0.033 39.059 39.000 0.045 0.000 1.002 359 F HN -0.070 nan 8.300 nan 0.000 0.472 360 L N 0.427 121.641 121.223 -0.015 0.000 2.129 360 L HA -0.256 4.088 4.340 0.007 0.000 0.212 360 L C 2.734 179.546 176.870 -0.096 0.000 1.087 360 L CA 1.187 55.954 54.840 -0.121 0.000 0.757 360 L CB -1.117 40.956 42.059 0.024 0.000 0.896 360 L HN 0.324 nan 8.230 nan 0.000 0.434 361 A N 0.151 122.958 122.820 -0.021 0.000 1.854 361 A HA -0.042 4.282 4.320 0.007 0.000 0.214 361 A C 2.457 180.033 177.584 -0.013 0.000 1.192 361 A CA 1.358 53.393 52.037 -0.002 0.000 0.611 361 A CB -1.320 17.700 19.000 0.032 0.000 0.832 361 A HN 0.397 nan 8.150 nan 0.000 0.442 362 G N -0.275 108.533 108.800 0.013 0.000 2.503 362 G HA2 -0.213 3.751 3.960 0.007 0.000 0.221 362 G HA3 -0.213 3.751 3.960 0.007 0.000 0.221 362 G C 1.487 176.333 174.900 -0.089 0.000 1.131 362 G CA 1.442 46.548 45.100 0.009 0.000 0.756 362 G HN 0.337 nan 8.290 nan 0.000 0.572 363 V N 0.989 120.776 119.914 -0.213 0.000 2.407 363 V HA -0.132 3.992 4.120 0.007 0.000 0.248 363 V C 2.925 178.959 176.094 -0.100 0.000 1.055 363 V CA 1.746 63.915 62.300 -0.219 0.000 1.049 363 V CB -0.366 31.235 31.823 -0.370 0.000 0.662 363 V HN 0.277 nan 8.190 nan 0.000 0.455 364 R N -0.055 120.400 120.500 -0.074 0.000 2.148 364 R HA 0.088 4.432 4.340 0.007 0.000 0.223 364 R C 2.030 178.318 176.300 -0.021 0.000 1.088 364 R CA 1.139 57.219 56.100 -0.035 0.000 0.985 364 R CB -0.615 29.672 30.300 -0.021 0.000 0.880 364 R HN 0.466 nan 8.270 nan 0.000 0.451 365 I N -0.369 120.189 120.570 -0.021 0.000 2.480 365 I HA -0.037 4.138 4.170 0.007 0.000 0.251 365 I C 2.193 178.303 176.117 -0.012 0.000 1.124 365 I CA 1.346 62.641 61.300 -0.009 0.000 1.444 365 I CB -0.658 37.343 38.000 0.002 0.000 1.098 365 I HN 0.163 nan 8.210 nan 0.000 0.428 366 G N 0.804 109.590 108.800 -0.024 0.000 2.511 366 G HA2 0.008 3.973 3.960 0.007 0.000 0.217 366 G HA3 0.008 3.973 3.960 0.007 0.000 0.217 366 G C 0.872 175.776 174.900 0.006 0.000 1.133 366 G CA 0.352 45.441 45.100 -0.018 0.000 0.792 366 G HN 0.245 nan 8.290 nan 0.000 0.539 367 V N 1.849 121.755 119.914 -0.013 0.000 2.361 367 V HA 0.222 4.346 4.120 0.007 0.000 0.252 367 V C -1.511 174.582 176.094 -0.001 0.000 0.986 367 V CA -1.078 61.204 62.300 -0.030 0.000 1.033 367 V CB 1.518 33.302 31.823 -0.064 0.000 1.282 367 V HN 0.063 nan 8.190 nan 0.000 0.514 368 P HA -0.102 nan 4.420 nan 0.000 0.223 368 P C 1.029 178.335 177.300 0.009 0.000 1.151 368 P CA 0.950 64.055 63.100 0.008 0.000 0.787 368 P CB 0.595 32.297 31.700 0.004 0.000 0.788 369 Q N -0.424 119.389 119.800 0.022 0.000 2.403 369 Q HA 0.254 4.598 4.340 0.007 0.000 0.203 369 Q C 0.740 176.743 176.000 0.004 0.000 0.932 369 Q CA -0.007 55.805 55.803 0.015 0.000 0.945 369 Q CB -0.306 28.449 28.738 0.028 0.000 1.045 369 Q HN 0.167 nan 8.270 nan 0.000 0.511 370 A N 0.710 123.530 122.820 -0.000 0.000 2.320 370 A HA 0.488 4.812 4.320 0.007 0.000 0.287 370 A C 0.388 177.967 177.584 -0.007 0.000 1.181 370 A CA -0.471 51.561 52.037 -0.009 0.000 0.831 370 A CB 0.285 19.282 19.000 -0.006 0.000 1.102 370 A HN 0.337 nan 8.150 nan 0.000 0.513 371 S N 2.142 117.835 115.700 -0.012 0.000 2.598 371 S HA 0.041 4.515 4.470 0.007 0.000 0.256 371 S C 0.469 175.070 174.600 0.003 0.000 1.350 371 S CA 0.383 58.578 58.200 -0.007 0.000 0.984 371 S CB 0.262 63.453 63.200 -0.014 0.000 0.930 371 S HN 0.633 nan 8.310 nan 0.000 0.577 372 D N 0.091 120.496 120.400 0.008 0.000 2.104 372 D HA -0.085 4.559 4.640 0.007 0.000 0.194 372 D C 1.776 178.094 176.300 0.031 0.000 0.994 372 D CA 1.046 55.057 54.000 0.018 0.000 0.830 372 D CB -0.516 40.295 40.800 0.018 0.000 0.959 372 D HN 0.410 nan 8.370 nan 0.000 0.452 373 L N 0.769 122.009 121.223 0.029 0.000 2.046 373 L HA -0.037 4.307 4.340 0.007 0.000 0.208 373 L C 2.057 178.966 176.870 0.066 0.000 1.077 373 L CA 1.738 56.605 54.840 0.047 0.000 0.747 373 L CB -0.931 41.148 42.059 0.034 0.000 0.896 373 L HN -0.011 nan 8.230 nan 0.000 0.432 374 A N -0.587 122.255 122.820 0.037 0.000 1.902 374 A HA -0.076 4.248 4.320 0.007 0.000 0.217 374 A C 2.435 180.070 177.584 0.086 0.000 1.181 374 A CA 1.792 53.856 52.037 0.044 0.000 0.623 374 A CB -1.085 17.902 19.000 -0.022 0.000 0.818 374 A HN 0.562 nan 8.150 nan 0.000 0.443 375 A N -0.786 122.067 122.820 0.055 0.000 1.898 375 A HA -0.112 4.212 4.320 0.007 0.000 0.216 375 A C 1.983 179.610 177.584 0.071 0.000 1.181 375 A CA 1.501 53.566 52.037 0.046 0.000 0.620 375 A CB -0.452 18.555 19.000 0.012 0.000 0.819 375 A HN 0.459 nan 8.150 nan 0.000 0.442 376 E N 0.043 120.292 120.200 0.082 0.000 2.070 376 E HA -0.243 4.111 4.350 0.007 0.000 0.197 376 E C 2.351 179.039 176.600 0.146 0.000 1.004 376 E CA 1.426 57.892 56.400 0.111 0.000 0.805 376 E CB -0.411 29.350 29.700 0.101 0.000 0.744 376 E HN 0.552 nan 8.360 nan 0.000 0.451 377 A N 0.696 123.619 122.820 0.173 0.000 1.877 377 A HA -0.153 4.171 4.320 0.007 0.000 0.216 377 A C 2.609 180.242 177.584 0.082 0.000 1.186 377 A CA 1.616 53.773 52.037 0.200 0.000 0.620 377 A CB -0.758 18.502 19.000 0.434 0.000 0.822 377 A HN 0.155 nan 8.150 nan 0.000 0.443 378 V N -0.426 119.582 119.914 0.156 0.000 2.287 378 V HA -0.259 3.865 4.120 0.007 0.000 0.248 378 V C 2.572 178.823 176.094 0.261 0.000 1.053 378 V CA 2.135 64.522 62.300 0.145 0.000 1.027 378 V CB -0.827 31.102 31.823 0.176 0.000 0.646 378 V HN 0.375 nan 8.190 nan 0.000 0.447 379 V N -0.636 119.393 119.914 0.191 0.000 2.358 379 V HA -0.212 3.912 4.120 0.007 0.000 0.246 379 V C 2.407 178.718 176.094 0.362 0.000 1.047 379 V CA 1.465 63.928 62.300 0.272 0.000 1.035 379 V CB -0.486 31.433 31.823 0.160 0.000 0.658 379 V HN 0.386 nan 8.190 nan 0.000 0.452 380 L N -0.068 121.349 121.223 0.322 0.000 2.021 380 L HA -0.281 4.063 4.340 0.007 0.000 0.215 380 L C 2.471 179.549 176.870 0.347 0.000 1.074 380 L CA 2.831 57.919 54.840 0.413 0.000 0.760 380 L CB -1.328 40.865 42.059 0.223 0.000 0.889 380 L HN 0.557 nan 8.230 nan 0.000 0.433 381 H N -1.882 117.186 119.070 -0.002 0.000 2.436 381 H HA -0.142 4.417 4.556 0.005 0.000 0.294 381 H C 1.902 177.122 175.328 -0.181 0.000 1.048 381 H CA 1.589 57.497 56.048 -0.234 0.000 1.353 381 H CB 0.039 29.339 29.762 -0.769 0.000 1.414 381 H HN 0.265 nan 8.280 nan 0.000 0.536 382 Y N -0.053 120.320 120.300 0.122 0.000 2.490 382 Y HA 0.116 4.671 4.550 0.008 0.000 0.285 382 Y C 0.898 176.855 175.900 0.095 0.000 1.117 382 Y CA 0.450 58.649 58.100 0.166 0.000 1.262 382 Y CB 0.199 38.882 38.460 0.371 0.000 1.043 382 Y HN 0.025 nan 8.280 nan 0.000 0.553 383 T N 1.622 116.221 114.554 0.075 0.000 2.928 383 T HA -0.064 4.290 4.350 0.007 0.000 0.305 383 T C -0.290 174.113 174.700 -0.495 0.000 1.035 383 T CA -0.096 61.784 62.100 -0.367 0.000 1.145 383 T CB 0.193 68.427 68.868 -1.057 0.000 0.963 383 T HN 0.079 nan 8.240 nan 0.000 0.545 384 D N 1.808 121.897 120.400 -0.517 0.000 2.339 384 D HA 0.119 4.763 4.640 0.007 0.000 0.241 384 D C -0.082 175.932 176.300 -0.477 0.000 1.183 384 D CA -0.752 52.924 54.000 -0.538 0.000 0.859 384 D CB 0.443 40.732 40.800 -0.851 0.000 1.067 384 D HN 0.605 nan 8.370 nan 0.000 0.484 385 W N 3.091 124.325 121.300 -0.109 0.000 3.077 385 W HA 0.138 4.801 4.660 0.005 0.000 0.245 385 W C 1.621 178.066 176.519 -0.124 0.000 1.316 385 W CA -0.283 57.008 57.345 -0.089 0.000 1.537 385 W CB 0.059 29.477 29.460 -0.071 0.000 1.131 385 W HN 0.421 nan 8.180 nan 0.000 0.695 386 L N -1.279 119.923 121.223 -0.034 0.000 2.375 386 L HA 0.020 4.364 4.340 0.007 0.000 0.215 386 L C 0.270 176.817 176.870 -0.538 0.000 1.108 386 L CA 1.024 55.714 54.840 -0.250 0.000 0.830 386 L CB -0.161 41.748 42.059 -0.250 0.000 0.959 386 L HN -0.011 nan 8.230 nan 0.000 0.457 387 H N -2.670 116.315 119.070 -0.142 0.000 2.825 387 H HA 0.175 4.734 4.556 0.006 0.000 0.226 387 H C -1.976 173.237 175.328 -0.192 0.000 1.414 387 H CA -1.037 54.923 56.048 -0.146 0.000 1.198 387 H CB 0.136 29.805 29.762 -0.155 0.000 2.013 387 H HN -0.075 nan 8.280 nan 0.000 0.530 388 P HA -0.125 nan 4.420 nan 0.000 0.225 388 P C 0.979 178.191 177.300 -0.146 0.000 1.148 388 P CA 1.132 64.086 63.100 -0.245 0.000 0.779 388 P CB 0.527 32.087 31.700 -0.233 0.000 0.780 389 E N -1.208 118.954 120.200 -0.064 0.000 2.498 389 E HA 0.026 4.380 4.350 0.007 0.000 0.203 389 E C 0.265 176.844 176.600 -0.034 0.000 1.013 389 E CA 0.032 56.408 56.400 -0.040 0.000 0.927 389 E CB -0.061 29.631 29.700 -0.013 0.000 1.012 389 E HN 0.359 nan 8.360 nan 0.000 0.482 390 D N 2.319 122.707 120.400 -0.020 0.000 2.371 390 D HA 0.010 4.654 4.640 0.007 0.000 0.256 390 D C -1.778 174.497 176.300 -0.043 0.000 1.193 390 D CA -1.660 52.332 54.000 -0.013 0.000 0.881 390 D CB 1.771 42.576 40.800 0.007 0.000 1.143 390 D HN -0.127 nan 8.370 nan 0.000 0.473 391 P HA -0.036 nan 4.420 nan 0.000 0.222 391 P C 1.258 178.490 177.300 -0.113 0.000 1.153 391 P CA 0.652 63.690 63.100 -0.103 0.000 0.798 391 P CB 0.313 31.947 31.700 -0.111 0.000 0.796 392 T N -1.450 113.059 114.554 -0.075 0.000 2.737 392 T HA -0.179 4.175 4.350 0.007 0.000 0.265 392 T C 1.740 176.415 174.700 -0.041 0.000 1.038 392 T CA 1.628 63.693 62.100 -0.059 0.000 1.144 392 T CB -1.005 67.843 68.868 -0.032 0.000 0.866 392 T HN 0.254 nan 8.240 nan 0.000 0.434 393 H N 1.057 120.063 119.070 -0.107 0.000 2.321 393 H HA 0.049 4.608 4.556 0.006 0.000 0.300 393 H C 2.030 177.269 175.328 -0.150 0.000 1.087 393 H CA 1.416 57.398 56.048 -0.109 0.000 1.319 393 H CB -0.580 29.101 29.762 -0.135 0.000 1.379 393 H HN 0.234 nan 8.280 nan 0.000 0.501 394 L N 0.160 121.197 121.223 -0.310 0.000 2.042 394 L HA -0.200 4.145 4.340 0.007 0.000 0.210 394 L C 2.946 179.680 176.870 -0.226 0.000 1.076 394 L CA 1.615 56.167 54.840 -0.480 0.000 0.749 394 L CB -0.550 41.294 42.059 -0.358 0.000 0.893 394 L HN 0.316 nan 8.230 nan 0.000 0.432 395 R N 0.568 121.005 120.500 -0.104 0.000 2.094 395 R HA -0.220 4.124 4.340 0.007 0.000 0.239 395 R C 1.694 178.080 176.300 0.143 0.000 1.137 395 R CA 2.412 58.555 56.100 0.072 0.000 0.943 395 R CB -0.526 29.702 30.300 -0.119 0.000 0.850 395 R HN 0.351 nan 8.270 nan 0.000 0.433 396 D N 0.095 120.501 120.400 0.010 0.000 2.219 396 D HA -0.058 4.587 4.640 0.007 0.000 0.205 396 D C 1.687 177.993 176.300 0.011 0.000 0.970 396 D CA 1.295 55.329 54.000 0.057 0.000 0.851 396 D CB -0.138 40.686 40.800 0.041 0.000 0.943 396 D HN 0.405 nan 8.370 nan 0.000 0.488 397 A N 0.592 123.310 122.820 -0.170 0.000 1.897 397 A HA -0.124 4.200 4.320 0.007 0.000 0.215 397 A C 2.111 179.765 177.584 0.117 0.000 1.181 397 A CA 1.250 53.247 52.037 -0.068 0.000 0.620 397 A CB -0.456 18.347 19.000 -0.329 0.000 0.821 397 A HN 0.111 nan 8.150 nan 0.000 0.443 398 M N 0.354 120.092 119.600 0.231 0.000 2.082 398 M HA -0.148 4.336 4.480 0.007 0.000 0.258 398 M C 2.315 178.643 176.300 0.048 0.000 1.069 398 M CA 2.206 57.650 55.300 0.240 0.000 1.102 398 M CB -0.758 32.034 32.600 0.321 0.000 1.336 398 M HN 0.451 nan 8.290 nan 0.000 0.404 399 S N -0.362 115.388 115.700 0.083 0.000 2.351 399 S HA -0.166 4.309 4.470 0.007 0.000 0.220 399 S C 2.096 176.750 174.600 0.089 0.000 1.035 399 S CA 2.080 60.344 58.200 0.107 0.000 1.031 399 S CB -0.845 62.486 63.200 0.218 0.000 0.928 399 S HN 0.652 nan 8.310 nan 0.000 0.433 400 A N 0.931 123.817 122.820 0.109 0.000 1.927 400 A HA -0.094 4.230 4.320 0.007 0.000 0.220 400 A C 2.413 180.003 177.584 0.010 0.000 1.185 400 A CA 2.176 54.300 52.037 0.145 0.000 0.639 400 A CB -1.358 17.831 19.000 0.316 0.000 0.820 400 A HN 0.506 nan 8.150 nan 0.000 0.451 401 V N -0.589 119.186 119.914 -0.232 0.000 2.255 401 V HA -0.265 3.859 4.120 0.007 0.000 0.247 401 V C 2.586 178.574 176.094 -0.176 0.000 1.051 401 V CA 2.179 64.279 62.300 -0.334 0.000 1.018 401 V CB -0.805 30.824 31.823 -0.324 0.000 0.641 401 V HN 0.399 nan 8.190 nan 0.000 0.445 402 V N 0.649 120.494 119.914 -0.114 0.000 2.358 402 V HA -0.151 3.973 4.120 0.007 0.000 0.246 402 V C 2.618 178.604 176.094 -0.181 0.000 1.047 402 V CA 2.135 64.362 62.300 -0.121 0.000 1.035 402 V CB -1.351 30.461 31.823 -0.018 0.000 0.658 402 V HN 0.622 nan 8.190 nan 0.000 0.452 403 G N -0.462 108.307 108.800 -0.053 0.000 2.422 403 G HA2 -0.230 3.734 3.960 0.007 0.000 0.218 403 G HA3 -0.230 3.734 3.960 0.007 0.000 0.218 403 G C 1.224 176.062 174.900 -0.103 0.000 1.146 403 G CA 1.036 46.128 45.100 -0.013 0.000 0.769 403 G HN 0.506 nan 8.290 nan 0.000 0.547 404 D N -0.597 119.730 120.400 -0.122 0.000 2.137 404 D HA -0.026 4.618 4.640 0.007 0.000 0.202 404 D C 2.084 178.068 176.300 -0.527 0.000 0.970 404 D CA 1.006 54.904 54.000 -0.170 0.000 0.837 404 D CB -0.357 40.496 40.800 0.089 0.000 0.981 404 D HN 0.420 nan 8.370 nan 0.000 0.475 405 H N 0.689 119.194 119.070 -0.943 0.000 2.395 405 H HA 0.086 4.646 4.556 0.006 0.000 0.299 405 H C 1.350 176.274 175.328 -0.673 0.000 1.070 405 H CA 1.481 56.785 56.048 -1.241 0.000 1.356 405 H CB 0.139 29.019 29.762 -1.470 0.000 1.401 405 H HN -0.028 nan 8.280 nan 0.000 0.524 406 N N -0.757 117.476 118.700 -0.778 0.000 2.388 406 N HA 0.029 4.773 4.740 0.007 0.000 0.176 406 N C 1.015 176.291 175.510 -0.390 0.000 1.062 406 N CA 0.984 53.531 53.050 -0.840 0.000 0.895 406 N CB 1.300 38.675 38.487 -1.853 0.000 1.018 406 N HN 0.273 nan 8.380 nan 0.000 0.456 407 V N -0.504 119.238 119.914 -0.286 0.000 3.278 407 V HA 0.070 4.194 4.120 0.007 0.000 0.215 407 V C 2.160 178.212 176.094 -0.069 0.000 1.287 407 V CA 0.160 62.424 62.300 -0.060 0.000 1.302 407 V CB -0.165 31.701 31.823 0.072 0.000 1.228 407 V HN -0.190 nan 8.190 nan 0.000 0.523 408 V N 0.328 120.201 119.914 -0.069 0.000 2.255 408 V HA -0.299 3.825 4.120 0.007 0.000 0.247 408 V C 2.567 178.624 176.094 -0.062 0.000 1.051 408 V CA 2.694 64.966 62.300 -0.048 0.000 1.018 408 V CB -0.773 31.050 31.823 -0.000 0.000 0.641 408 V HN 0.686 nan 8.190 nan 0.000 0.445 409 c N -0.352 118.207 118.600 -0.069 0.000 2.440 409 c HA -0.027 4.547 4.570 0.007 0.000 0.278 409 c C 0.593 174.650 174.090 -0.055 0.000 1.295 409 c CA 0.929 57.245 56.329 -0.023 0.000 1.738 409 c CB -1.980 40.558 42.510 0.047 0.000 1.987 409 c HN 0.467 nan 8.230 nan 0.000 0.492 410 P HA -0.100 nan 4.420 nan 0.000 0.214 410 P C 1.824 179.064 177.300 -0.100 0.000 1.163 410 P CA 1.468 64.496 63.100 -0.120 0.000 0.889 410 P CB -0.209 31.390 31.700 -0.168 0.000 0.790 411 V N 0.154 120.009 119.914 -0.097 0.000 2.282 411 V HA -0.328 3.796 4.120 0.007 0.000 0.249 411 V C 2.463 178.468 176.094 -0.149 0.000 1.057 411 V CA 2.452 64.680 62.300 -0.120 0.000 1.032 411 V CB -1.777 29.968 31.823 -0.129 0.000 0.645 411 V HN 0.123 nan 8.190 nan 0.000 0.447 412 A N -0.744 122.002 122.820 -0.123 0.000 1.865 412 A HA -0.339 3.985 4.320 0.007 0.000 0.217 412 A C 2.181 179.739 177.584 -0.044 0.000 1.191 412 A CA 2.325 54.298 52.037 -0.107 0.000 0.623 412 A CB -0.680 18.304 19.000 -0.027 0.000 0.826 412 A HN 0.567 nan 8.150 nan 0.000 0.444 413 Q N -0.686 119.105 119.800 -0.015 0.000 2.062 413 Q HA -0.234 4.111 4.340 0.007 0.000 0.209 413 Q C 1.901 177.893 176.000 -0.013 0.000 0.996 413 Q CA 2.269 58.074 55.803 0.004 0.000 0.859 413 Q CB -0.517 28.215 28.738 -0.011 0.000 0.920 413 Q HN 0.563 nan 8.270 nan 0.000 0.415 414 L N -0.148 121.039 121.223 -0.059 0.000 2.017 414 L HA -0.069 4.275 4.340 0.007 0.000 0.208 414 L C 2.119 178.945 176.870 -0.074 0.000 1.073 414 L CA 2.305 57.098 54.840 -0.078 0.000 0.745 414 L CB -1.066 40.928 42.059 -0.109 0.000 0.894 414 L HN 0.298 nan 8.230 nan 0.000 0.432 415 A N -0.445 122.305 122.820 -0.117 0.000 1.858 415 A HA -0.085 4.240 4.320 0.007 0.000 0.216 415 A C 2.372 180.018 177.584 0.103 0.000 1.190 415 A CA 1.698 53.657 52.037 -0.130 0.000 0.617 415 A CB -1.745 16.950 19.000 -0.509 0.000 0.827 415 A HN 0.536 nan 8.150 nan 0.000 0.443 416 G N -0.146 108.763 108.800 0.181 0.000 2.599 416 G HA2 -0.327 3.637 3.960 0.007 0.000 0.219 416 G HA3 -0.327 3.637 3.960 0.007 0.000 0.219 416 G C 1.674 176.673 174.900 0.165 0.000 1.193 416 G CA 1.229 46.494 45.100 0.276 0.000 0.778 416 G HN 0.461 nan 8.290 nan 0.000 0.589 417 R N -0.292 120.273 120.500 0.108 0.000 2.073 417 R HA 0.097 4.441 4.340 0.007 0.000 0.229 417 R C 2.574 178.957 176.300 0.138 0.000 1.120 417 R CA 0.424 56.591 56.100 0.111 0.000 0.967 417 R CB -1.391 28.966 30.300 0.095 0.000 0.862 417 R HN 0.334 nan 8.270 nan 0.000 0.436 418 L N 1.138 122.404 121.223 0.071 0.000 1.990 418 L HA -0.160 4.184 4.340 0.007 0.000 0.213 418 L C 2.525 179.472 176.870 0.129 0.000 1.072 418 L CA 2.150 57.010 54.840 0.034 0.000 0.755 418 L CB -1.323 40.662 42.059 -0.124 0.000 0.889 418 L HN 0.204 nan 8.230 nan 0.000 0.432 419 A N -0.793 122.105 122.820 0.129 0.000 1.873 419 A HA -0.230 4.094 4.320 0.007 0.000 0.218 419 A C 2.428 180.074 177.584 0.103 0.000 1.193 419 A CA 2.266 54.378 52.037 0.124 0.000 0.629 419 A CB -1.185 17.911 19.000 0.159 0.000 0.826 419 A HN 0.445 nan 8.150 nan 0.000 0.447 420 A N -1.252 121.631 122.820 0.105 0.000 2.084 420 A HA -0.174 4.150 4.320 0.007 0.000 0.221 420 A C 1.740 179.376 177.584 0.086 0.000 1.161 420 A CA 1.714 53.800 52.037 0.081 0.000 0.653 420 A CB -0.389 18.659 19.000 0.080 0.000 0.802 420 A HN 0.705 nan 8.150 nan 0.000 0.457 421 Q N -2.132 117.748 119.800 0.133 0.000 2.141 421 Q HA 0.408 4.752 4.340 0.007 0.000 0.248 421 Q C 0.678 176.764 176.000 0.144 0.000 0.834 421 Q CA 0.234 56.115 55.803 0.130 0.000 1.096 421 Q CB 0.687 29.528 28.738 0.171 0.000 1.189 421 Q HN 0.766 nan 8.270 nan 0.000 0.471 422 G N 0.214 109.088 108.800 0.123 0.000 2.179 422 G HA2 -0.230 3.734 3.960 0.007 0.000 0.220 422 G HA3 -0.230 3.734 3.960 0.007 0.000 0.220 422 G C 0.258 175.232 174.900 0.124 0.000 0.990 422 G CA -0.195 44.966 45.100 0.102 0.000 0.646 422 G HN 0.517 nan 8.290 nan 0.000 0.517 423 A N -0.109 122.804 122.820 0.155 0.000 2.322 423 A HA 0.778 5.102 4.320 0.007 0.000 0.269 423 A C 0.575 178.204 177.584 0.074 0.000 1.094 423 A CA 0.331 52.446 52.037 0.129 0.000 0.807 423 A CB 0.439 19.499 19.000 0.100 0.000 1.047 423 A HN 0.795 nan 8.150 nan 0.000 0.487 424 R N 1.722 122.261 120.500 0.064 0.000 2.204 424 R HA 0.490 4.834 4.340 0.007 0.000 0.341 424 R C -1.484 174.811 176.300 -0.008 0.000 1.035 424 R CA -0.113 55.991 56.100 0.006 0.000 0.887 424 R CB 0.315 30.643 30.300 0.047 0.000 1.114 424 R HN 0.453 nan 8.270 nan 0.000 0.473 425 V N 5.795 125.657 119.914 -0.088 0.000 2.459 425 V HA 0.371 4.495 4.120 0.007 0.000 0.295 425 V C -0.817 175.159 176.094 -0.197 0.000 1.029 425 V CA -0.739 61.536 62.300 -0.041 0.000 0.874 425 V CB 1.230 33.096 31.823 0.072 0.000 0.985 425 V HN 0.624 nan 8.190 nan 0.000 0.438 426 Y N 2.299 122.605 120.300 0.011 0.000 2.377 426 Y HA 0.763 5.316 4.550 0.006 0.000 0.339 426 Y C 0.378 176.429 175.900 0.251 0.000 1.011 426 Y CA -0.512 57.610 58.100 0.037 0.000 1.093 426 Y CB 2.088 40.216 38.460 -0.552 0.000 1.201 426 Y HN 0.745 nan 8.280 nan 0.000 0.455 427 A N 3.458 126.725 122.820 0.744 0.000 2.386 427 A HA 0.821 5.145 4.320 0.007 0.000 0.311 427 A C -1.854 176.068 177.584 0.562 0.000 1.068 427 A CA -0.676 51.620 52.037 0.432 0.000 0.743 427 A CB 0.818 19.910 19.000 0.154 0.000 1.258 427 A HN 0.745 nan 8.150 nan 0.000 0.429 428 Y N -0.141 120.346 120.300 0.312 0.000 2.588 428 Y HA 0.781 5.334 4.550 0.005 0.000 0.343 428 Y C -1.169 174.844 175.900 0.187 0.000 1.065 428 Y CA -1.635 56.586 58.100 0.202 0.000 1.038 428 Y CB 1.400 39.973 38.460 0.188 0.000 1.297 428 Y HN 0.710 nan 8.280 nan 0.000 0.467 429 I N 3.826 124.634 120.570 0.398 0.000 2.418 429 I HA 0.447 4.621 4.170 0.007 0.000 0.287 429 I C -1.770 174.646 176.117 0.498 0.000 1.008 429 I CA -0.977 60.526 61.300 0.338 0.000 1.104 429 I CB 0.850 38.971 38.000 0.202 0.000 1.264 429 I HN 0.744 nan 8.210 nan 0.000 0.438 430 F N 7.559 127.779 119.950 0.451 0.000 2.424 430 F HA 0.359 4.891 4.527 0.008 0.000 0.356 430 F C 0.553 176.493 175.800 0.233 0.000 1.110 430 F CA 0.204 58.412 58.000 0.347 0.000 1.161 430 F CB 0.783 40.004 39.000 0.367 0.000 1.115 430 F HN 0.563 nan 8.300 nan 0.000 0.507 431 E N 3.281 123.346 120.200 -0.224 0.000 2.714 431 E HA -0.014 4.340 4.350 0.007 0.000 0.219 431 E C -0.904 175.575 176.600 -0.202 0.000 0.979 431 E CA -0.177 56.169 56.400 -0.091 0.000 1.092 431 E CB 0.271 29.951 29.700 -0.033 0.000 1.049 431 E HN 0.544 nan 8.360 nan 0.000 0.487 432 H N 1.509 120.205 119.070 -0.623 0.000 2.519 432 H HA 0.235 4.795 4.556 0.006 0.000 0.316 432 H C -0.388 174.889 175.328 -0.084 0.000 1.065 432 H CA -0.663 55.101 56.048 -0.473 0.000 1.264 432 H CB 0.582 29.844 29.762 -0.833 0.000 1.413 432 H HN -0.125 nan 8.280 nan 0.000 0.465 433 R N 4.430 124.576 120.500 -0.590 0.000 2.234 433 R HA 0.484 4.829 4.340 0.007 0.000 0.324 433 R C -0.548 175.462 176.300 -0.483 0.000 1.054 433 R CA -0.538 55.373 56.100 -0.316 0.000 0.912 433 R CB 0.357 30.568 30.300 -0.148 0.000 1.030 433 R HN 0.803 nan 8.270 nan 0.000 0.455 434 A N 3.424 126.280 122.820 0.060 0.000 2.598 434 A HA -0.075 4.249 4.320 0.007 0.000 0.239 434 A C 1.466 179.144 177.584 0.157 0.000 1.032 434 A CA 0.801 53.072 52.037 0.390 0.000 0.760 434 A CB 0.165 19.484 19.000 0.532 0.000 0.946 434 A HN 1.048 nan 8.150 nan 0.000 0.512 435 S N 1.715 117.556 115.700 0.235 0.000 2.419 435 S HA -0.176 4.299 4.470 0.007 0.000 0.235 435 S C 1.499 176.094 174.600 -0.008 0.000 1.019 435 S CA 1.884 60.145 58.200 0.102 0.000 0.982 435 S CB -0.757 62.528 63.200 0.141 0.000 0.789 435 S HN 1.543 nan 8.310 nan 0.000 0.490 436 T N -0.949 113.561 114.554 -0.073 0.000 3.107 436 T HA 0.340 4.694 4.350 0.007 0.000 0.249 436 T C 0.378 175.005 174.700 -0.122 0.000 1.096 436 T CA -0.535 61.450 62.100 -0.191 0.000 1.012 436 T CB -0.534 68.057 68.868 -0.461 0.000 0.977 436 T HN 0.273 nan 8.240 nan 0.000 0.527 437 L N 3.514 124.705 121.223 -0.053 0.000 2.485 437 L HA 0.286 4.630 4.340 0.007 0.000 0.275 437 L C 1.530 178.344 176.870 -0.094 0.000 1.207 437 L CA 0.895 55.694 54.840 -0.069 0.000 0.855 437 L CB 0.964 42.991 42.059 -0.054 0.000 1.114 437 L HN 0.422 nan 8.230 nan 0.000 0.485 438 T N -1.052 113.407 114.554 -0.158 0.000 3.069 438 T HA 0.158 4.512 4.350 0.007 0.000 0.252 438 T C 0.252 174.901 174.700 -0.084 0.000 1.053 438 T CA -0.454 61.547 62.100 -0.164 0.000 0.964 438 T CB -0.333 68.341 68.868 -0.323 0.000 1.005 438 T HN 0.414 nan 8.240 nan 0.000 0.532 439 W N 2.639 123.925 121.300 -0.024 0.000 2.183 439 W HA 0.498 5.162 4.660 0.008 0.000 0.348 439 W C -2.292 174.142 176.519 -0.142 0.000 1.257 439 W CA -2.207 55.110 57.345 -0.047 0.000 1.324 439 W CB 0.072 29.436 29.460 -0.161 0.000 1.144 439 W HN -0.047 nan 8.180 nan 0.000 0.622 440 P HA 0.104 nan 4.420 nan 0.000 0.274 440 P C 0.379 177.635 177.300 -0.074 0.000 1.246 440 P CA -0.274 62.816 63.100 -0.016 0.000 0.795 440 P CB 0.676 32.396 31.700 0.033 0.000 1.006 441 L N -0.008 121.233 121.223 0.030 0.000 2.191 441 L HA -0.110 4.234 4.340 0.007 0.000 0.212 441 L C 2.307 179.223 176.870 0.077 0.000 1.103 441 L CA 1.325 56.192 54.840 0.045 0.000 0.769 441 L CB -0.961 41.144 42.059 0.077 0.000 0.908 441 L HN 0.609 nan 8.230 nan 0.000 0.438 442 W N -0.876 120.464 121.300 0.068 0.000 2.425 442 W HA -0.134 4.529 4.660 0.006 0.000 0.277 442 W C 1.736 178.308 176.519 0.088 0.000 1.231 442 W CA 0.540 57.929 57.345 0.074 0.000 1.248 442 W CB -0.772 28.734 29.460 0.076 0.000 1.117 442 W HN 0.170 nan 8.180 nan 0.000 0.568 443 M N 1.535 120.786 119.600 -0.581 0.000 2.630 443 M HA 0.088 4.572 4.480 0.007 0.000 0.254 443 M C 1.750 177.951 176.300 -0.165 0.000 1.092 443 M CA 1.567 56.513 55.300 -0.591 0.000 1.087 443 M CB -0.742 31.381 32.600 -0.794 0.000 1.453 443 M HN 0.219 nan 8.290 nan 0.000 0.509 444 G N 0.448 109.217 108.800 -0.052 0.000 2.583 444 G HA2 -0.294 3.671 3.960 0.007 0.000 0.292 444 G HA3 -0.294 3.671 3.960 0.007 0.000 0.292 444 G C -0.165 174.747 174.900 0.019 0.000 1.203 444 G CA -0.161 44.953 45.100 0.023 0.000 0.987 444 G HN 0.226 nan 8.290 nan 0.000 0.554 445 V N 3.965 123.926 119.914 0.078 0.000 2.284 445 V HA 0.441 4.565 4.120 0.007 0.000 0.260 445 V C -1.554 174.648 176.094 0.179 0.000 1.084 445 V CA -0.634 61.753 62.300 0.144 0.000 0.894 445 V CB 0.883 32.841 31.823 0.226 0.000 1.119 445 V HN 0.582 nan 8.190 nan 0.000 0.484 446 P HA 0.178 nan 4.420 nan 0.000 0.277 446 P C -0.359 177.107 177.300 0.277 0.000 1.271 446 P CA -0.523 62.665 63.100 0.147 0.000 0.795 446 P CB 0.452 32.140 31.700 -0.021 0.000 1.101 447 H N -0.404 118.707 119.070 0.069 0.000 2.929 447 H HA 0.355 4.914 4.556 0.006 0.000 0.317 447 H C 1.394 176.591 175.328 -0.218 0.000 1.031 447 H CA 1.885 57.908 56.048 -0.041 0.000 1.466 447 H CB -0.630 29.076 29.762 -0.093 0.000 1.482 447 H HN 0.752 nan 8.280 nan 0.000 0.561 448 G N 3.474 111.907 108.800 -0.612 0.000 2.176 448 G HA2 -0.302 3.662 3.960 0.007 0.000 0.232 448 G HA3 -0.302 3.662 3.960 0.007 0.000 0.232 448 G C 0.349 175.023 174.900 -0.377 0.000 0.986 448 G CA 0.351 45.086 45.100 -0.608 0.000 0.643 448 G HN 0.651 nan 8.290 nan 0.000 0.522 449 Y N 1.096 121.419 120.300 0.039 0.000 2.571 449 Y HA 0.273 4.826 4.550 0.006 0.000 0.275 449 Y C 2.163 178.114 175.900 0.085 0.000 1.179 449 Y CA 0.679 58.878 58.100 0.165 0.000 1.242 449 Y CB 0.547 39.155 38.460 0.246 0.000 1.126 449 Y HN 0.450 nan 8.280 nan 0.000 0.524 450 E N 0.035 120.118 120.200 -0.196 0.000 2.415 450 E HA -0.019 4.335 4.350 0.007 0.000 0.197 450 E C 1.473 177.950 176.600 -0.205 0.000 1.007 450 E CA 0.542 56.518 56.400 -0.707 0.000 0.890 450 E CB -0.349 28.496 29.700 -1.424 0.000 0.891 450 E HN 0.538 nan 8.360 nan 0.000 0.496 451 I N 2.621 123.161 120.570 -0.051 0.000 2.179 451 I HA -0.296 3.878 4.170 0.007 0.000 0.242 451 I C 2.569 178.692 176.117 0.011 0.000 1.088 451 I CA 2.058 63.379 61.300 0.035 0.000 1.357 451 I CB -0.462 37.612 38.000 0.123 0.000 1.051 451 I HN 0.167 nan 8.210 nan 0.000 0.409 452 E N 0.978 121.139 120.200 -0.065 0.000 2.209 452 E HA -0.239 4.115 4.350 0.007 0.000 0.196 452 E C 1.986 178.368 176.600 -0.363 0.000 0.993 452 E CA 1.496 57.763 56.400 -0.223 0.000 0.819 452 E CB -0.538 29.023 29.700 -0.231 0.000 0.745 452 E HN 0.453 nan 8.360 nan 0.000 0.477 453 F N 1.130 120.989 119.950 -0.152 0.000 2.149 453 F HA 0.092 4.625 4.527 0.010 0.000 0.294 453 F C 2.280 177.881 175.800 -0.332 0.000 1.095 453 F CA 0.690 58.551 58.000 -0.232 0.000 1.276 453 F CB -0.155 38.778 39.000 -0.112 0.000 1.023 453 F HN -0.092 nan 8.300 nan 0.000 0.480 454 I N -1.184 119.265 120.570 -0.202 0.000 2.567 454 I HA -0.270 3.904 4.170 0.007 0.000 0.257 454 I C 1.549 177.445 176.117 -0.369 0.000 1.184 454 I CA 1.224 62.240 61.300 -0.472 0.000 1.451 454 I CB -0.367 37.186 38.000 -0.745 0.000 1.089 454 I HN 0.054 nan 8.210 nan 0.000 0.441 455 F N 0.524 120.307 119.950 -0.279 0.000 2.789 455 F HA 0.229 4.760 4.527 0.007 0.000 0.300 455 F C 1.830 177.517 175.800 -0.188 0.000 1.132 455 F CA 0.604 58.486 58.000 -0.198 0.000 1.404 455 F CB 0.013 38.884 39.000 -0.215 0.000 1.114 455 F HN 0.139 nan 8.300 nan 0.000 0.584 456 G N 0.311 108.981 108.800 -0.217 0.000 2.160 456 G HA2 -0.302 3.663 3.960 0.007 0.000 0.244 456 G HA3 -0.302 3.663 3.960 0.007 0.000 0.244 456 G C 0.979 175.318 174.900 -0.934 0.000 1.022 456 G CA 0.338 45.173 45.100 -0.441 0.000 0.741 456 G HN 0.301 nan 8.290 nan 0.000 0.508 457 L N 0.407 121.133 121.223 -0.828 0.000 2.042 457 L HA 0.015 4.359 4.340 0.007 0.000 0.210 457 L C 0.599 176.886 176.870 -0.973 0.000 1.076 457 L CA 2.826 57.101 54.840 -0.943 0.000 0.749 457 L CB -1.060 40.693 42.059 -0.510 0.000 0.893 457 L HN 0.203 nan 8.230 nan 0.000 0.432 458 P HA -0.212 nan 4.420 nan 0.000 0.219 458 P C 1.689 178.686 177.300 -0.505 0.000 1.145 458 P CA 1.116 63.531 63.100 -1.141 0.000 0.813 458 P CB -0.011 31.106 31.700 -0.971 0.000 0.771 459 L N -1.279 119.609 121.223 -0.559 0.000 2.362 459 L HA -0.061 4.283 4.340 0.007 0.000 0.219 459 L C 0.962 177.693 176.870 -0.232 0.000 1.134 459 L CA 1.253 55.881 54.840 -0.353 0.000 0.807 459 L CB -1.080 40.767 42.059 -0.352 0.000 0.927 459 L HN -0.035 nan 8.230 nan 0.000 0.447 460 D N 0.323 120.549 120.400 -0.290 0.000 2.365 460 D HA 0.066 4.710 4.640 0.007 0.000 0.237 460 D C -1.523 174.775 176.300 -0.005 0.000 1.190 460 D CA -2.053 51.914 54.000 -0.054 0.000 0.867 460 D CB 1.368 42.183 40.800 0.025 0.000 1.050 460 D HN 0.032 nan 8.370 nan 0.000 0.491 461 P HA -0.163 nan 4.420 nan 0.000 0.219 461 P C 1.089 178.402 177.300 0.021 0.000 1.146 461 P CA 0.783 63.894 63.100 0.018 0.000 0.808 461 P CB 0.012 31.720 31.700 0.014 0.000 0.779 462 S N -1.216 114.495 115.700 0.019 0.000 2.653 462 S HA 0.017 4.491 4.470 0.007 0.000 0.233 462 S C 1.614 176.212 174.600 -0.002 0.000 0.970 462 S CA 0.245 58.448 58.200 0.005 0.000 0.947 462 S CB -1.280 61.922 63.200 0.005 0.000 0.771 462 S HN 0.126 nan 8.310 nan 0.000 0.538 463 L N 0.443 121.681 121.223 0.026 0.000 2.640 463 L HA 0.263 4.607 4.340 0.007 0.000 0.230 463 L C 0.247 177.051 176.870 -0.112 0.000 1.123 463 L CA -0.143 54.703 54.840 0.010 0.000 0.900 463 L CB -0.430 41.725 42.059 0.160 0.000 1.146 463 L HN 0.240 nan 8.230 nan 0.000 0.484 464 N N -1.745 116.920 118.700 -0.058 0.000 2.878 464 N HA -0.229 4.515 4.740 0.007 0.000 0.247 464 N C -0.332 175.097 175.510 -0.136 0.000 1.021 464 N CA 0.889 53.877 53.050 -0.104 0.000 0.873 464 N CB -1.701 36.700 38.487 -0.145 0.000 1.128 464 N HN 0.273 nan 8.380 nan 0.000 0.571 465 Y N 1.345 121.623 120.300 -0.036 0.000 2.379 465 Y HA 0.176 4.730 4.550 0.007 0.000 0.337 465 Y C 1.958 177.869 175.900 0.020 0.000 1.238 465 Y CA 0.333 58.432 58.100 -0.001 0.000 1.405 465 Y CB 0.460 38.897 38.460 -0.038 0.000 1.310 465 Y HN 0.067 nan 8.280 nan 0.000 0.569 466 T N -2.487 112.202 114.554 0.225 0.000 2.828 466 T HA 0.058 4.412 4.350 0.007 0.000 0.290 466 T C 1.140 175.918 174.700 0.128 0.000 1.019 466 T CA -0.341 61.844 62.100 0.141 0.000 1.031 466 T CB 0.933 69.878 68.868 0.129 0.000 1.001 466 T HN 0.725 nan 8.240 nan 0.000 0.531 467 T N 1.418 116.019 114.554 0.078 0.000 2.720 467 T HA -0.096 4.258 4.350 0.007 0.000 0.268 467 T C 1.790 176.526 174.700 0.060 0.000 1.037 467 T CA 1.920 64.054 62.100 0.056 0.000 1.144 467 T CB -0.444 68.445 68.868 0.035 0.000 0.864 467 T HN 0.780 nan 8.240 nan 0.000 0.444 468 E N 1.179 121.412 120.200 0.056 0.000 2.110 468 E HA -0.100 4.254 4.350 0.007 0.000 0.193 468 E C 2.215 178.860 176.600 0.076 0.000 0.988 468 E CA 0.970 57.389 56.400 0.032 0.000 0.804 468 E CB -0.176 29.513 29.700 -0.018 0.000 0.745 468 E HN 0.574 nan 8.360 nan 0.000 0.458 469 E N 0.295 120.582 120.200 0.146 0.000 2.106 469 E HA -0.143 4.211 4.350 0.007 0.000 0.192 469 E C 2.125 178.861 176.600 0.228 0.000 0.984 469 E CA 0.500 57.089 56.400 0.315 0.000 0.806 469 E CB -0.037 29.960 29.700 0.495 0.000 0.750 469 E HN 0.115 nan 8.360 nan 0.000 0.458 470 R N 0.962 121.521 120.500 0.098 0.000 2.083 470 R HA -0.168 4.176 4.340 0.007 0.000 0.237 470 R C 2.248 178.559 176.300 0.018 0.000 1.137 470 R CA 1.289 57.389 56.100 -0.000 0.000 0.951 470 R CB -0.268 30.026 30.300 -0.010 0.000 0.851 470 R HN 0.116 nan 8.270 nan 0.000 0.434 471 I N 0.326 120.930 120.570 0.055 0.000 2.208 471 I HA -0.283 3.891 4.170 0.007 0.000 0.245 471 I C 2.168 178.340 176.117 0.091 0.000 1.097 471 I CA 1.226 62.557 61.300 0.051 0.000 1.363 471 I CB -0.276 37.752 38.000 0.047 0.000 1.051 471 I HN 0.209 nan 8.210 nan 0.000 0.413 472 F N 1.362 121.290 119.950 -0.037 0.000 2.206 472 F HA -0.086 4.445 4.527 0.005 0.000 0.298 472 F C 2.366 178.177 175.800 0.019 0.000 1.090 472 F CA 1.086 59.061 58.000 -0.040 0.000 1.323 472 F CB -0.528 38.404 39.000 -0.114 0.000 1.028 472 F HN 0.003 nan 8.300 nan 0.000 0.492 473 A N 0.138 122.927 122.820 -0.051 0.000 1.933 473 A HA -0.214 4.110 4.320 0.007 0.000 0.218 473 A C 2.159 179.622 177.584 -0.202 0.000 1.175 473 A CA 1.769 53.703 52.037 -0.172 0.000 0.628 473 A CB -0.797 18.096 19.000 -0.178 0.000 0.814 473 A HN 0.599 nan 8.150 nan 0.000 0.444 474 Q N -1.063 118.655 119.800 -0.136 0.000 2.079 474 Q HA -0.143 4.201 4.340 0.007 0.000 0.200 474 Q C 2.396 178.299 176.000 -0.163 0.000 0.974 474 Q CA 1.424 57.153 55.803 -0.123 0.000 0.840 474 Q CB -0.163 28.528 28.738 -0.077 0.000 0.898 474 Q HN 0.642 nan 8.270 nan 0.000 0.430 475 R N 0.449 120.842 120.500 -0.178 0.000 2.081 475 R HA -0.108 4.236 4.340 0.007 0.000 0.235 475 R C 2.211 178.262 176.300 -0.416 0.000 1.131 475 R CA 1.039 56.966 56.100 -0.288 0.000 0.960 475 R CB -0.096 30.114 30.300 -0.151 0.000 0.856 475 R HN 0.241 nan 8.270 nan 0.000 0.436 476 L N -0.215 120.834 121.223 -0.289 0.000 2.072 476 L HA -0.153 4.191 4.340 0.007 0.000 0.205 476 L C 2.513 179.349 176.870 -0.057 0.000 1.079 476 L CA 1.199 55.959 54.840 -0.134 0.000 0.752 476 L CB -0.295 41.528 42.059 -0.393 0.000 0.906 476 L HN 0.277 nan 8.230 nan 0.000 0.436 477 M N -0.639 118.866 119.600 -0.159 0.000 2.202 477 M HA -0.217 4.267 4.480 0.007 0.000 0.262 477 M C 2.265 178.561 176.300 -0.005 0.000 1.063 477 M CA 1.584 56.825 55.300 -0.098 0.000 1.097 477 M CB -0.283 32.243 32.600 -0.124 0.000 1.382 477 M HN 0.098 nan 8.290 nan 0.000 0.413 478 K N -0.250 120.109 120.400 -0.069 0.000 2.025 478 K HA -0.133 4.191 4.320 0.007 0.000 0.207 478 K C 1.902 178.545 176.600 0.072 0.000 1.049 478 K CA 1.625 57.877 56.287 -0.060 0.000 0.933 478 K CB -0.497 31.895 32.500 -0.180 0.000 0.714 478 K HN 0.309 nan 8.250 nan 0.000 0.438 479 Y N 0.099 120.523 120.300 0.205 0.000 2.081 479 Y HA -0.251 4.305 4.550 0.010 0.000 0.280 479 Y C 2.470 178.490 175.900 0.201 0.000 1.163 479 Y CA 0.888 59.139 58.100 0.252 0.000 1.135 479 Y CB -0.885 37.874 38.460 0.498 0.000 0.970 479 Y HN 0.230 nan 8.280 nan 0.000 0.498 480 W N 0.607 121.975 121.300 0.112 0.000 2.332 480 W HA -0.261 4.402 4.660 0.006 0.000 0.321 480 W C 2.641 179.157 176.519 -0.005 0.000 1.219 480 W CA 2.426 59.775 57.345 0.006 0.000 1.277 480 W CB -0.874 28.521 29.460 -0.108 0.000 1.161 480 W HN 0.234 nan 8.180 nan 0.000 0.476 481 T N -1.646 113.007 114.554 0.163 0.000 2.833 481 T HA -0.182 4.172 4.350 0.007 0.000 0.269 481 T C 1.412 176.131 174.700 0.031 0.000 1.054 481 T CA 1.440 63.570 62.100 0.050 0.000 1.135 481 T CB -0.612 68.264 68.868 0.014 0.000 0.869 481 T HN -0.067 nan 8.240 nan 0.000 0.466 482 N N 1.016 119.748 118.700 0.054 0.000 2.084 482 N HA -0.009 4.735 4.740 0.007 0.000 0.190 482 N C 1.364 176.850 175.510 -0.039 0.000 1.030 482 N CA 1.155 54.212 53.050 0.012 0.000 0.849 482 N CB -0.786 37.725 38.487 0.039 0.000 1.012 482 N HN 0.513 nan 8.380 nan 0.000 0.423 483 F N 1.598 121.446 119.950 -0.169 0.000 2.126 483 F HA -0.155 4.376 4.527 0.006 0.000 0.299 483 F C 2.112 177.818 175.800 -0.158 0.000 1.096 483 F CA 1.438 59.287 58.000 -0.253 0.000 1.255 483 F CB -0.403 38.350 39.000 -0.412 0.000 0.997 483 F HN 0.048 nan 8.300 nan 0.000 0.479 484 A N 0.759 123.519 122.820 -0.100 0.000 1.865 484 A HA -0.209 4.115 4.320 0.007 0.000 0.217 484 A C 2.361 179.833 177.584 -0.186 0.000 1.191 484 A CA 1.927 53.883 52.037 -0.135 0.000 0.623 484 A CB -0.819 18.161 19.000 -0.034 0.000 0.826 484 A HN 0.461 nan 8.150 nan 0.000 0.444 485 R N -1.192 119.230 120.500 -0.130 0.000 2.081 485 R HA -0.098 4.246 4.340 0.007 0.000 0.235 485 R C 2.252 178.461 176.300 -0.151 0.000 1.131 485 R CA 1.981 58.015 56.100 -0.110 0.000 0.960 485 R CB -0.334 29.926 30.300 -0.067 0.000 0.856 485 R HN 0.755 nan 8.270 nan 0.000 0.436 486 T N -5.225 109.211 114.554 -0.197 0.000 2.959 486 T HA 0.230 4.584 4.350 0.007 0.000 0.254 486 T C 1.232 175.789 174.700 -0.238 0.000 1.003 486 T CA 0.472 62.468 62.100 -0.173 0.000 0.950 486 T CB 1.230 70.029 68.868 -0.116 0.000 1.090 486 T HN 0.350 nan 8.240 nan 0.000 0.503 487 G N 1.272 109.800 108.800 -0.454 0.000 2.136 487 G HA2 -0.147 3.817 3.960 0.007 0.000 0.242 487 G HA3 -0.147 3.817 3.960 0.007 0.000 0.242 487 G C -0.351 174.384 174.900 -0.275 0.000 0.989 487 G CA 0.181 44.937 45.100 -0.573 0.000 0.682 487 G HN 0.838 nan 8.290 nan 0.000 0.522 488 D N -0.806 119.439 120.400 -0.259 0.000 2.613 488 D HA 0.415 5.059 4.640 0.007 0.000 0.230 488 D C -1.463 174.656 176.300 -0.302 0.000 1.365 488 D CA -1.443 52.399 54.000 -0.263 0.000 0.976 488 D CB 1.860 42.609 40.800 -0.085 0.000 1.415 488 D HN -0.016 nan 8.370 nan 0.000 0.589 489 P HA -0.033 nan 4.420 nan 0.000 0.234 489 P C -0.018 177.289 177.300 0.011 0.000 1.167 489 P CA 0.127 63.040 63.100 -0.312 0.000 0.763 489 P CB 0.377 31.562 31.700 -0.859 0.000 0.835 490 N N 1.149 119.822 118.700 -0.046 0.000 2.513 490 N HA 0.058 4.802 4.740 0.007 0.000 0.274 490 N C -0.069 175.502 175.510 0.101 0.000 1.189 490 N CA 0.148 53.271 53.050 0.122 0.000 0.975 490 N CB 0.697 39.249 38.487 0.108 0.000 1.157 490 N HN -0.004 nan 8.380 nan 0.000 0.465 491 D N 1.196 121.672 120.400 0.127 0.000 2.295 491 D HA 0.175 4.819 4.640 0.007 0.000 0.248 491 D C -1.511 174.828 176.300 0.065 0.000 1.154 491 D CA -1.594 52.452 54.000 0.076 0.000 0.857 491 D CB 1.566 42.406 40.800 0.067 0.000 1.117 491 D HN 0.230 nan 8.370 nan 0.000 0.468 492 P HA 0.001 nan 4.420 nan 0.000 0.223 492 P C 1.047 178.370 177.300 0.039 0.000 1.151 492 P CA 0.778 63.901 63.100 0.040 0.000 0.787 492 P CB 0.525 32.241 31.700 0.026 0.000 0.788 493 R N -0.507 120.015 120.500 0.035 0.000 2.062 493 R HA 0.026 4.370 4.340 0.007 0.000 0.226 493 R C 0.953 177.277 176.300 0.039 0.000 1.125 493 R CA 0.824 56.943 56.100 0.032 0.000 0.966 493 R CB -0.535 29.779 30.300 0.025 0.000 0.861 493 R HN 0.099 nan 8.270 nan 0.000 0.433 494 D N 1.173 121.601 120.400 0.048 0.000 2.801 494 D HA -0.003 4.642 4.640 0.007 0.000 0.232 494 D C 0.559 176.900 176.300 0.069 0.000 1.128 494 D CA 0.190 54.224 54.000 0.056 0.000 1.003 494 D CB 0.522 41.358 40.800 0.060 0.000 1.110 494 D HN 0.259 nan 8.370 nan 0.000 0.477 495 S N -0.655 115.081 115.700 0.060 0.000 2.481 495 S HA -0.150 4.324 4.470 0.007 0.000 0.231 495 S C 2.113 176.749 174.600 0.061 0.000 0.996 495 S CA 0.760 58.998 58.200 0.063 0.000 0.942 495 S CB 0.066 63.297 63.200 0.053 0.000 0.768 495 S HN 0.398 nan 8.310 nan 0.000 0.520 496 K N 2.072 122.505 120.400 0.054 0.000 1.978 496 K HA 0.099 4.423 4.320 0.007 0.000 0.214 496 K C 1.355 177.992 176.600 0.061 0.000 1.049 496 K CA 1.556 57.873 56.287 0.050 0.000 0.939 496 K CB -1.678 30.847 32.500 0.042 0.000 0.721 496 K HN 0.530 nan 8.250 nan 0.000 0.441 497 S N 2.380 118.124 115.700 0.073 0.000 2.573 497 S HA 0.199 4.674 4.470 0.007 0.000 0.297 497 S C -2.197 172.470 174.600 0.111 0.000 1.280 497 S CA -0.628 57.629 58.200 0.095 0.000 1.061 497 S CB 0.583 63.852 63.200 0.116 0.000 0.812 497 S HN 0.460 nan 8.310 nan 0.000 0.500 498 P HA 0.144 nan 4.420 nan 0.000 0.269 498 P C -0.467 176.922 177.300 0.148 0.000 1.215 498 P CA -0.367 62.797 63.100 0.105 0.000 0.780 498 P CB 0.423 32.170 31.700 0.078 0.000 0.898 499 Q N 0.659 120.546 119.800 0.146 0.000 2.259 499 Q HA 0.173 4.518 4.340 0.007 0.000 0.246 499 Q C -0.671 175.487 176.000 0.263 0.000 0.920 499 Q CA -0.022 55.902 55.803 0.202 0.000 0.895 499 Q CB 0.851 29.695 28.738 0.177 0.000 1.220 499 Q HN 0.561 nan 8.270 nan 0.000 0.439 500 W N 6.260 127.620 121.300 0.100 0.000 2.357 500 W HA 0.315 4.979 4.660 0.007 0.000 0.317 500 W C -2.468 174.211 176.519 0.267 0.000 1.101 500 W CA -2.452 54.971 57.345 0.130 0.000 1.380 500 W CB 0.475 29.951 29.460 0.028 0.000 1.266 500 W HN 0.378 nan 8.180 nan 0.000 0.419 501 P HA 0.281 nan 4.420 nan 0.000 0.282 501 P C -2.622 174.886 177.300 0.346 0.000 1.249 501 P CA -1.867 61.461 63.100 0.380 0.000 0.806 501 P CB 0.851 32.681 31.700 0.217 0.000 0.984 502 P HA -0.019 nan 4.420 nan 0.000 0.264 502 P C -0.464 176.838 177.300 0.003 0.000 1.183 502 P CA 0.289 63.198 63.100 -0.318 0.000 0.763 502 P CB -0.077 31.429 31.700 -0.324 0.000 0.807 503 Y N 3.678 123.949 120.300 -0.050 0.000 2.605 503 Y HA 0.132 4.687 4.550 0.009 0.000 0.336 503 Y C 0.546 176.449 175.900 0.006 0.000 1.111 503 Y CA 0.351 58.479 58.100 0.046 0.000 1.422 503 Y CB -0.102 38.406 38.460 0.081 0.000 1.193 503 Y HN 0.323 nan 8.280 nan 0.000 0.526 504 T N 0.987 115.316 114.554 -0.375 0.000 2.895 504 T HA 0.138 4.492 4.350 0.007 0.000 0.283 504 T C 1.142 175.532 174.700 -0.517 0.000 1.014 504 T CA -0.217 61.688 62.100 -0.324 0.000 1.037 504 T CB 1.589 70.363 68.868 -0.158 0.000 1.006 504 T HN 0.736 nan 8.240 nan 0.000 0.468 505 T N 1.078 115.471 114.554 -0.268 0.000 2.685 505 T HA -0.220 4.135 4.350 0.007 0.000 0.268 505 T C 2.084 176.699 174.700 -0.142 0.000 1.034 505 T CA 2.052 64.052 62.100 -0.165 0.000 1.149 505 T CB -0.955 67.889 68.868 -0.040 0.000 0.860 505 T HN 0.840 nan 8.240 nan 0.000 0.449 506 A N 0.625 123.376 122.820 -0.115 0.000 1.898 506 A HA 0.553 4.877 4.320 0.007 0.000 0.214 506 A C 2.640 180.176 177.584 -0.079 0.000 1.183 506 A CA 1.566 53.560 52.037 -0.072 0.000 0.622 506 A CB -1.039 17.935 19.000 -0.045 0.000 0.824 506 A HN 0.789 nan 8.150 nan 0.000 0.444 507 A N -1.932 120.820 122.820 -0.113 0.000 2.115 507 A HA 0.258 4.582 4.320 0.007 0.000 0.211 507 A C 0.934 178.461 177.584 -0.094 0.000 1.169 507 A CA 0.768 52.757 52.037 -0.079 0.000 0.787 507 A CB -0.264 18.705 19.000 -0.052 0.000 0.858 507 A HN 0.521 nan 8.150 nan 0.000 0.474 508 Q N -0.112 119.528 119.800 -0.267 0.000 2.434 508 Q HA -0.221 4.123 4.340 0.007 0.000 0.299 508 Q C -0.745 175.339 176.000 0.140 0.000 1.286 508 Q CA 0.705 56.331 55.803 -0.295 0.000 0.872 508 Q CB -1.671 27.081 28.738 0.024 0.000 1.193 508 Q HN 0.831 nan 8.270 nan 0.000 0.466 509 Q N 0.274 120.139 119.800 0.109 0.000 2.259 509 Q HA 0.559 4.903 4.340 0.007 0.000 0.249 509 Q C -0.402 175.860 176.000 0.438 0.000 0.914 509 Q CA -0.177 55.747 55.803 0.201 0.000 0.904 509 Q CB 0.794 29.588 28.738 0.094 0.000 1.213 509 Q HN 0.348 nan 8.270 nan 0.000 0.428 510 Y N -2.123 118.299 120.300 0.204 0.000 2.638 510 Y HA 0.682 5.245 4.550 0.021 0.000 0.335 510 Y C -1.021 174.860 175.900 -0.031 0.000 1.155 510 Y CA -1.496 56.698 58.100 0.156 0.000 1.046 510 Y CB 0.459 39.009 38.460 0.151 0.000 1.303 510 Y HN 0.386 nan 8.280 nan 0.000 0.460 511 V N -0.296 119.541 119.914 -0.129 0.000 2.975 511 V HA 0.881 5.006 4.120 0.007 0.000 0.318 511 V C -0.121 175.914 176.094 -0.097 0.000 1.077 511 V CA -0.463 61.632 62.300 -0.343 0.000 1.000 511 V CB 1.310 32.650 31.823 -0.805 0.000 1.066 511 V HN 1.193 nan 8.190 nan 0.000 0.452 512 S N 2.295 117.929 115.700 -0.109 0.000 2.489 512 S HA 0.743 5.218 4.470 0.007 0.000 0.291 512 S C -0.622 173.956 174.600 -0.037 0.000 1.151 512 S CA -0.728 57.473 58.200 0.002 0.000 1.082 512 S CB 0.852 64.051 63.200 -0.001 0.000 1.019 512 S HN 0.763 nan 8.310 nan 0.000 0.492 513 L N 3.912 125.154 121.223 0.031 0.000 2.295 513 L HA 0.536 4.880 4.340 0.007 0.000 0.281 513 L C -0.302 176.495 176.870 -0.122 0.000 1.018 513 L CA -0.443 54.437 54.840 0.066 0.000 0.841 513 L CB 0.171 42.345 42.059 0.193 0.000 1.218 513 L HN 0.957 nan 8.230 nan 0.000 0.424 514 N N 2.027 120.610 118.700 -0.195 0.000 3.522 514 N HA 0.367 5.111 4.740 0.007 0.000 0.328 514 N C 0.201 175.208 175.510 -0.840 0.000 1.623 514 N CA -0.977 51.690 53.050 -0.639 0.000 0.812 514 N CB 0.648 38.919 38.487 -0.360 0.000 2.008 514 N HN 0.184 nan 8.380 nan 0.000 0.601 515 L N -0.998 119.750 121.223 -0.792 0.000 2.376 515 L HA 0.143 4.487 4.340 0.007 0.000 0.219 515 L C 0.514 177.230 176.870 -0.256 0.000 1.133 515 L CA 0.875 55.352 54.840 -0.604 0.000 0.816 515 L CB -0.486 41.290 42.059 -0.473 0.000 0.933 515 L HN 0.367 nan 8.230 nan 0.000 0.449 516 K N -0.007 120.280 120.400 -0.188 0.000 2.090 516 K HA 0.312 4.637 4.320 0.007 0.000 0.250 516 K C -2.173 174.409 176.600 -0.031 0.000 1.004 516 K CA -1.880 54.356 56.287 -0.085 0.000 0.919 516 K CB 0.361 32.818 32.500 -0.072 0.000 1.045 516 K HN -0.235 nan 8.250 nan 0.000 0.471 517 P HA -0.019 nan 4.420 nan 0.000 0.271 517 P C -0.515 176.805 177.300 0.035 0.000 1.233 517 P CA -0.217 62.912 63.100 0.048 0.000 0.789 517 P CB 0.388 32.115 31.700 0.045 0.000 0.951 518 L N 1.258 122.518 121.223 0.062 0.000 2.628 518 L HA -0.043 4.302 4.340 0.007 0.000 0.274 518 L C 1.106 177.955 176.870 -0.036 0.000 1.209 518 L CA 0.822 55.657 54.840 -0.007 0.000 0.930 518 L CB -0.364 41.687 42.059 -0.012 0.000 1.183 518 L HN 0.466 nan 8.230 nan 0.000 0.492 519 E N 3.318 123.475 120.200 -0.072 0.000 2.166 519 E HA 0.336 4.690 4.350 0.007 0.000 0.275 519 E C -1.191 175.329 176.600 -0.132 0.000 0.941 519 E CA -0.769 55.586 56.400 -0.076 0.000 0.784 519 E CB 1.901 31.564 29.700 -0.062 0.000 1.115 519 E HN 0.293 nan 8.360 nan 0.000 0.399 520 V N 5.463 125.304 119.914 -0.121 0.000 2.461 520 V HA 0.340 4.464 4.120 0.007 0.000 0.275 520 V C 0.353 176.307 176.094 -0.233 0.000 1.047 520 V CA -0.125 62.073 62.300 -0.170 0.000 0.955 520 V CB 0.967 32.740 31.823 -0.083 0.000 0.988 520 V HN 0.659 nan 8.190 nan 0.000 0.471 521 R N 4.250 124.471 120.500 -0.465 0.000 2.854 521 R HA 0.711 5.055 4.340 0.007 0.000 0.271 521 R C -0.815 175.159 176.300 -0.543 0.000 0.996 521 R CA -1.021 54.758 56.100 -0.535 0.000 0.961 521 R CB 2.447 32.345 30.300 -0.670 0.000 1.182 521 R HN 0.584 nan 8.270 nan 0.000 0.479 522 R N 0.200 120.590 120.500 -0.183 0.000 2.562 522 R HA 0.460 4.804 4.340 0.007 0.000 0.298 522 R C -0.501 175.952 176.300 0.256 0.000 0.961 522 R CA -0.599 55.527 56.100 0.043 0.000 0.881 522 R CB 2.100 32.419 30.300 0.032 0.000 1.159 522 R HN 0.906 nan 8.270 nan 0.000 0.450 523 G N 2.155 111.183 108.800 0.379 0.000 3.391 523 G HA2 -0.223 3.741 3.960 0.007 0.000 0.675 523 G HA3 -0.223 3.741 3.960 0.007 0.000 0.675 523 G C -0.948 174.199 174.900 0.413 0.000 0.899 523 G CA -0.879 44.440 45.100 0.365 0.000 0.755 523 G HN 0.345 nan 8.290 nan 0.000 0.475 524 L N 4.529 125.898 121.223 0.242 0.000 2.302 524 L HA 0.468 4.812 4.340 0.007 0.000 0.285 524 L C 1.511 178.410 176.870 0.048 0.000 1.090 524 L CA -0.527 54.287 54.840 -0.042 0.000 0.866 524 L CB -0.121 41.813 42.059 -0.209 0.000 1.244 524 L HN 0.708 nan 8.230 nan 0.000 0.435 525 R N 3.018 123.575 120.500 0.095 0.000 3.038 525 R HA -0.263 4.081 4.340 0.007 0.000 0.242 525 R C 1.239 177.639 176.300 0.167 0.000 0.866 525 R CA 0.717 56.906 56.100 0.148 0.000 0.601 525 R CB -1.871 28.526 30.300 0.161 0.000 1.107 525 R HN 0.738 nan 8.270 nan 0.000 0.492 526 A N 0.840 123.759 122.820 0.166 0.000 1.873 526 A HA -0.208 4.116 4.320 0.007 0.000 0.215 526 A C 2.038 179.717 177.584 0.158 0.000 1.186 526 A CA 1.020 53.153 52.037 0.160 0.000 0.616 526 A CB -0.067 19.024 19.000 0.151 0.000 0.823 526 A HN 0.420 nan 8.150 nan 0.000 0.442 527 Q N -0.383 119.510 119.800 0.154 0.000 2.020 527 Q HA -0.125 4.219 4.340 0.007 0.000 0.202 527 Q C 2.261 178.376 176.000 0.191 0.000 0.982 527 Q CA 2.234 58.130 55.803 0.154 0.000 0.838 527 Q CB -1.252 27.569 28.738 0.139 0.000 0.899 527 Q HN 0.647 nan 8.270 nan 0.000 0.423 528 T N 0.438 115.134 114.554 0.236 0.000 2.833 528 T HA -0.117 4.237 4.350 0.007 0.000 0.269 528 T C 2.026 176.941 174.700 0.359 0.000 1.054 528 T CA 1.170 63.434 62.100 0.275 0.000 1.135 528 T CB -0.285 68.811 68.868 0.380 0.000 0.869 528 T HN 0.308 nan 8.240 nan 0.000 0.466 529 c N 1.516 120.306 118.600 0.317 0.000 2.446 529 c HA 0.281 4.855 4.570 0.007 0.000 0.279 529 c C 3.135 177.372 174.090 0.246 0.000 1.366 529 c CA -0.085 56.437 56.329 0.322 0.000 1.763 529 c CB -1.387 41.254 42.510 0.218 0.000 1.929 529 c HN 0.643 nan 8.230 nan 0.000 0.509 530 A N 0.280 123.215 122.820 0.192 0.000 1.933 530 A HA -0.193 4.131 4.320 0.007 0.000 0.218 530 A C 1.867 179.536 177.584 0.142 0.000 1.175 530 A CA 1.557 53.683 52.037 0.148 0.000 0.628 530 A CB -0.776 18.299 19.000 0.126 0.000 0.814 530 A HN 0.541 nan 8.150 nan 0.000 0.444 531 F N -0.863 119.067 119.950 -0.034 0.000 2.102 531 F HA -0.171 4.359 4.527 0.005 0.000 0.298 531 F C 1.902 177.646 175.800 -0.092 0.000 1.105 531 F CA 1.708 59.606 58.000 -0.170 0.000 1.239 531 F CB -0.506 38.138 39.000 -0.594 0.000 0.991 531 F HN 0.384 nan 8.300 nan 0.000 0.474 532 W N 0.394 121.630 121.300 -0.106 0.000 2.453 532 W HA -0.066 4.596 4.660 0.004 0.000 0.289 532 W C 2.143 178.586 176.519 -0.127 0.000 1.215 532 W CA 0.834 58.076 57.345 -0.172 0.000 1.297 532 W CB -0.415 29.085 29.460 0.066 0.000 1.113 532 W HN -0.056 nan 8.180 nan 0.000 0.551 533 N N -0.285 118.515 118.700 0.166 0.000 2.402 533 N HA 0.047 4.792 4.740 0.007 0.000 0.174 533 N C 1.495 177.032 175.510 0.044 0.000 1.027 533 N CA 0.838 53.947 53.050 0.098 0.000 0.891 533 N CB -0.230 38.319 38.487 0.104 0.000 1.016 533 N HN 0.207 nan 8.380 nan 0.000 0.439 534 R N -1.005 119.524 120.500 0.048 0.000 2.142 534 R HA 0.229 4.573 4.340 0.007 0.000 0.204 534 R C 1.475 177.808 176.300 0.054 0.000 1.059 534 R CA 0.195 56.327 56.100 0.053 0.000 1.055 534 R CB -0.142 30.209 30.300 0.086 0.000 0.976 534 R HN 0.046 nan 8.270 nan 0.000 0.483 535 F N 1.162 121.021 119.950 -0.151 0.000 2.188 535 F HA 0.082 4.613 4.527 0.007 0.000 0.289 535 F C 1.869 177.506 175.800 -0.271 0.000 1.082 535 F CA 0.748 58.637 58.000 -0.185 0.000 1.282 535 F CB -0.191 38.716 39.000 -0.156 0.000 1.060 535 F HN -0.130 nan 8.300 nan 0.000 0.493 536 L N 1.301 122.214 121.223 -0.517 0.000 2.079 536 L HA -0.109 4.235 4.340 0.007 0.000 0.210 536 L C -0.670 175.975 176.870 -0.376 0.000 1.081 536 L CA 2.032 56.516 54.840 -0.594 0.000 0.752 536 L CB -2.123 39.567 42.059 -0.616 0.000 0.896 536 L HN 0.071 nan 8.230 nan 0.000 0.433 537 P HA -0.207 nan 4.420 nan 0.000 0.214 537 P C 1.427 178.602 177.300 -0.208 0.000 1.163 537 P CA 1.685 64.687 63.100 -0.163 0.000 0.889 537 P CB -0.034 31.606 31.700 -0.099 0.000 0.790 538 K N -1.192 119.052 120.400 -0.260 0.000 2.280 538 K HA -0.102 4.222 4.320 0.007 0.000 0.202 538 K C 1.710 178.102 176.600 -0.346 0.000 1.047 538 K CA 0.677 56.808 56.287 -0.259 0.000 0.942 538 K CB -0.615 31.762 32.500 -0.206 0.000 0.739 538 K HN 0.040 nan 8.250 nan 0.000 0.457 539 L N 0.791 121.699 121.223 -0.525 0.000 2.554 539 L HA 0.016 4.361 4.340 0.007 0.000 0.226 539 L C 1.496 178.224 176.870 -0.236 0.000 1.137 539 L CA 0.669 55.248 54.840 -0.436 0.000 0.863 539 L CB -0.063 41.642 42.059 -0.589 0.000 0.985 539 L HN 0.094 nan 8.230 nan 0.000 0.451 540 L N -1.012 120.091 121.223 -0.200 0.000 2.068 540 L HA 0.109 4.453 4.340 0.007 0.000 0.204 540 L C 1.327 178.139 176.870 -0.097 0.000 1.076 540 L CA 0.854 55.621 54.840 -0.121 0.000 0.753 540 L CB -0.608 41.392 42.059 -0.097 0.000 0.910 540 L HN 0.111 nan 8.230 nan 0.000 0.439 541 S N 2.186 117.825 115.700 -0.102 0.000 2.711 541 S HA 0.442 4.916 4.470 0.007 0.000 0.335 541 S C 0.519 175.076 174.600 -0.072 0.000 1.175 541 S CA 0.196 58.350 58.200 -0.076 0.000 1.372 541 S CB -1.764 61.393 63.200 -0.072 0.000 1.337 541 S HN 0.887 nan 8.310 nan 0.000 0.572 542 A N 0.000 122.787 122.820 -0.056 0.000 2.254 542 A HA 0.000 4.324 4.320 0.007 0.000 0.244 542 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 542 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486