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 2jgl_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 0.000 176.613 176.600 0.022 0.000 1.382 1 E CA 0.000 56.417 56.400 0.028 0.000 0.976 1 E CB 0.000 29.720 29.700 0.034 0.000 0.812 2 G N 0.525 109.338 108.800 0.021 0.000 3.709 2 G HA2 -0.149 3.817 3.960 0.010 0.000 0.196 2 G HA3 -0.149 3.817 3.960 0.010 0.000 0.196 2 G C 0.910 175.820 174.900 0.017 0.000 1.177 2 G CA 0.110 45.219 45.100 0.017 0.000 0.906 2 G HN 0.302 nan 8.290 nan 0.000 0.416 3 R N 1.291 121.801 120.500 0.017 0.000 2.290 3 R HA 0.341 4.687 4.340 0.010 0.000 0.197 3 R C 0.761 177.073 176.300 0.020 0.000 0.913 3 R CA 0.141 56.251 56.100 0.016 0.000 1.040 3 R CB 0.075 30.382 30.300 0.012 0.000 0.992 3 R HN 0.561 nan 8.270 nan 0.000 0.500 4 E N 1.088 121.302 120.200 0.025 0.000 2.391 4 E HA -0.037 4.318 4.350 0.010 0.000 0.255 4 E C -0.336 176.288 176.600 0.040 0.000 1.187 4 E CA -0.245 56.173 56.400 0.031 0.000 0.941 4 E CB 0.477 30.199 29.700 0.036 0.000 1.010 4 E HN -0.110 nan 8.360 nan 0.000 0.458 5 D N 2.031 122.462 120.400 0.051 0.000 2.382 5 D HA -0.008 4.637 4.640 0.010 0.000 0.259 5 D C -1.595 174.747 176.300 0.071 0.000 1.224 5 D CA -1.721 52.324 54.000 0.075 0.000 0.894 5 D CB 0.882 41.749 40.800 0.112 0.000 1.127 5 D HN 0.128 nan 8.370 nan 0.000 0.487 6 P HA -0.145 nan 4.420 nan 0.000 0.223 6 P C 0.920 178.237 177.300 0.029 0.000 1.144 6 P CA 0.723 63.843 63.100 0.033 0.000 0.783 6 P CB 0.472 32.181 31.700 0.015 0.000 0.771 7 Q N -0.831 118.983 119.800 0.023 0.000 2.425 7 Q HA 0.150 4.496 4.340 0.010 0.000 0.204 7 Q C 1.694 177.765 176.000 0.119 0.000 0.933 7 Q CA 0.449 56.243 55.803 -0.014 0.000 0.939 7 Q CB 0.098 28.686 28.738 -0.250 0.000 1.044 7 Q HN 0.405 nan 8.270 nan 0.000 0.513 8 L N 0.049 121.364 121.223 0.154 0.000 2.693 8 L HA 0.239 4.585 4.340 0.010 0.000 0.235 8 L C 0.038 177.097 176.870 0.315 0.000 1.127 8 L CA 0.044 55.007 54.840 0.205 0.000 0.914 8 L CB 0.470 42.575 42.059 0.075 0.000 1.193 8 L HN -0.055 nan 8.230 nan 0.000 0.502 9 L N 0.761 122.116 121.223 0.219 0.000 2.280 9 L HA 0.517 4.863 4.340 0.010 0.000 0.287 9 L C -0.719 176.205 176.870 0.090 0.000 1.023 9 L CA -0.411 54.533 54.840 0.173 0.000 0.819 9 L CB 1.769 43.887 42.059 0.098 0.000 1.212 9 L HN -0.233 nan 8.230 nan 0.000 0.420 10 V N 3.396 123.333 119.914 0.037 0.000 2.789 10 V HA 0.497 4.622 4.120 0.010 0.000 0.311 10 V C -0.299 175.705 176.094 -0.150 0.000 1.073 10 V CA -0.745 61.424 62.300 -0.219 0.000 0.921 10 V CB 2.750 34.151 31.823 -0.703 0.000 1.009 10 V HN 0.709 nan 8.190 nan 0.000 0.426 11 R N 2.522 122.911 120.500 -0.185 0.000 2.407 11 R HA 0.804 5.150 4.340 0.010 0.000 0.303 11 R C -0.825 175.377 176.300 -0.163 0.000 0.981 11 R CA -0.311 55.720 56.100 -0.115 0.000 0.905 11 R CB 1.739 31.977 30.300 -0.103 0.000 1.099 11 R HN 0.690 nan 8.270 nan 0.000 0.459 12 V N 1.673 121.551 119.914 -0.060 0.000 3.181 12 V HA 0.502 4.628 4.120 0.010 0.000 0.314 12 V C 1.052 177.076 176.094 -0.117 0.000 1.173 12 V CA -1.034 61.228 62.300 -0.064 0.000 1.052 12 V CB 1.619 33.542 31.823 0.167 0.000 1.123 12 V HN 0.821 nan 8.190 nan 0.000 0.454 13 R N 1.431 121.848 120.500 -0.139 0.000 2.139 13 R HA -0.018 4.328 4.340 0.010 0.000 0.243 13 R C 1.711 177.884 176.300 -0.212 0.000 1.145 13 R CA 2.364 58.374 56.100 -0.150 0.000 0.976 13 R CB -1.127 29.100 30.300 -0.123 0.000 0.866 13 R HN 1.051 nan 8.270 nan 0.000 0.449 14 G N -2.058 106.567 108.800 -0.291 0.000 3.042 14 G HA2 0.427 4.393 3.960 0.010 0.000 0.212 14 G HA3 0.427 4.393 3.960 0.010 0.000 0.212 14 G C 0.284 174.242 174.900 -1.571 0.000 1.166 14 G CA 0.279 44.936 45.100 -0.738 0.000 0.767 14 G HN 0.717 nan 8.290 nan 0.000 0.546 15 G N -0.887 107.324 108.800 -0.982 0.000 2.320 15 G HA2 0.101 4.067 3.960 0.010 0.000 0.274 15 G HA3 0.101 4.067 3.960 0.010 0.000 0.274 15 G C -1.292 173.557 174.900 -0.086 0.000 1.324 15 G CA -0.950 43.685 45.100 -0.775 0.000 0.957 15 G HN 0.266 nan 8.290 nan 0.000 0.481 16 Q N -0.309 119.607 119.800 0.194 0.000 2.243 16 Q HA 0.690 5.036 4.340 0.010 0.000 0.252 16 Q C -0.508 175.761 176.000 0.450 0.000 0.909 16 Q CA -0.304 55.664 55.803 0.274 0.000 0.922 16 Q CB 1.644 30.487 28.738 0.174 0.000 1.215 16 Q HN 0.443 nan 8.270 nan 0.000 0.427 17 L N 2.071 123.488 121.223 0.323 0.000 2.362 17 L HA 0.599 4.945 4.340 0.010 0.000 0.271 17 L C -0.406 176.656 176.870 0.320 0.000 1.002 17 L CA -0.743 54.302 54.840 0.342 0.000 0.818 17 L CB 1.990 44.286 42.059 0.396 0.000 1.298 17 L HN 0.426 nan 8.230 nan 0.000 0.420 18 R N 1.186 121.844 120.500 0.264 0.000 2.310 18 R HA 0.621 4.967 4.340 0.010 0.000 0.324 18 R C -0.146 176.249 176.300 0.157 0.000 0.955 18 R CA -0.281 55.946 56.100 0.211 0.000 0.830 18 R CB 1.488 31.850 30.300 0.104 0.000 1.154 18 R HN 0.834 nan 8.270 nan 0.000 0.458 19 G N 3.303 112.129 108.800 0.045 0.000 2.583 19 G HA2 0.466 4.432 3.960 0.010 0.000 0.280 19 G HA3 0.466 4.432 3.960 0.010 0.000 0.280 19 G C -1.016 173.660 174.900 -0.373 0.000 1.376 19 G CA -0.706 44.094 45.100 -0.500 0.000 1.043 19 G HN 0.597 nan 8.290 nan 0.000 0.538 20 I N -0.982 119.321 120.570 -0.446 0.000 2.647 20 I HA 0.518 4.694 4.170 0.010 0.000 0.295 20 I C -0.033 175.951 176.117 -0.222 0.000 1.078 20 I CA -1.128 60.015 61.300 -0.261 0.000 1.048 20 I CB 2.076 39.938 38.000 -0.229 0.000 1.239 20 I HN 0.412 nan 8.210 nan 0.000 0.421 21 R N 7.620 128.026 120.500 -0.157 0.000 2.248 21 R HA 0.478 4.824 4.340 0.010 0.000 0.328 21 R C -1.592 174.592 176.300 -0.192 0.000 1.067 21 R CA -0.288 55.690 56.100 -0.204 0.000 0.924 21 R CB 0.446 30.574 30.300 -0.287 0.000 1.013 21 R HN 0.653 nan 8.270 nan 0.000 0.454 22 L N 3.838 124.963 121.223 -0.164 0.000 2.331 22 L HA 0.411 4.757 4.340 0.010 0.000 0.275 22 L C 0.166 176.958 176.870 -0.130 0.000 1.022 22 L CA -0.852 53.916 54.840 -0.120 0.000 0.812 22 L CB 1.835 43.861 42.059 -0.056 0.000 1.257 22 L HN 0.451 nan 8.230 nan 0.000 0.435 23 K N 2.540 122.872 120.400 -0.112 0.000 2.262 23 K HA 0.568 4.894 4.320 0.010 0.000 0.282 23 K C -0.738 175.803 176.600 -0.099 0.000 1.066 23 K CA -0.170 56.057 56.287 -0.100 0.000 0.901 23 K CB 1.339 33.792 32.500 -0.078 0.000 1.089 23 K HN 0.727 nan 8.250 nan 0.000 0.476 24 A N 5.327 128.091 122.820 -0.094 0.000 2.282 24 A HA 0.529 4.855 4.320 0.010 0.000 0.324 24 A C -1.962 175.622 177.584 0.000 0.000 1.119 24 A CA -1.480 50.503 52.037 -0.090 0.000 0.880 24 A CB 0.549 19.472 19.000 -0.128 0.000 1.294 24 A HN 0.512 nan 8.150 nan 0.000 0.493 25 P HA -0.072 nan 4.420 nan 0.000 0.215 25 P C 1.245 178.570 177.300 0.042 0.000 1.157 25 P CA 2.000 65.144 63.100 0.074 0.000 0.868 25 P CB 0.150 31.920 31.700 0.116 0.000 0.788 26 G N -2.177 106.650 108.800 0.045 0.000 3.042 26 G HA2 0.458 4.423 3.960 0.010 0.000 0.212 26 G HA3 0.458 4.423 3.960 0.010 0.000 0.212 26 G C 0.499 175.413 174.900 0.022 0.000 1.166 26 G CA 0.431 45.550 45.100 0.032 0.000 0.767 26 G HN 0.613 nan 8.290 nan 0.000 0.546 27 G N -0.448 108.357 108.800 0.009 0.000 2.369 27 G HA2 0.328 4.294 3.960 0.010 0.000 0.293 27 G HA3 0.328 4.294 3.960 0.010 0.000 0.293 27 G C -3.391 171.489 174.900 -0.033 0.000 1.301 27 G CA -0.671 44.426 45.100 -0.004 0.000 0.913 27 G HN 0.073 nan 8.290 nan 0.000 0.540 28 P HA 0.574 nan 4.420 nan 0.000 0.279 28 P C -0.085 177.189 177.300 -0.045 0.000 1.252 28 P CA -0.361 62.644 63.100 -0.158 0.000 0.811 28 P CB 1.683 33.135 31.700 -0.413 0.000 1.035 29 V N -1.915 117.976 119.914 -0.039 0.000 3.040 29 V HA 0.635 4.761 4.120 0.010 0.000 0.312 29 V C -0.279 175.898 176.094 0.138 0.000 1.115 29 V CA -0.911 61.458 62.300 0.115 0.000 0.998 29 V CB 1.716 33.614 31.823 0.126 0.000 1.042 29 V HN 0.415 nan 8.190 nan 0.000 0.433 30 S N 1.856 117.710 115.700 0.257 0.000 2.475 30 S HA 0.813 5.289 4.470 0.010 0.000 0.281 30 S C 0.090 174.700 174.600 0.016 0.000 1.198 30 S CA 0.074 58.374 58.200 0.167 0.000 1.063 30 S CB 1.044 64.435 63.200 0.318 0.000 0.972 30 S HN 1.509 nan 8.310 nan 0.000 0.486 31 A N 3.025 125.672 122.820 -0.288 0.000 2.355 31 A HA 0.827 5.153 4.320 0.010 0.000 0.317 31 A C -1.208 175.948 177.584 -0.713 0.000 1.094 31 A CA -0.624 51.138 52.037 -0.459 0.000 0.764 31 A CB 0.539 19.262 19.000 -0.460 0.000 1.230 31 A HN 0.683 nan 8.150 nan 0.000 0.448 32 F N 2.359 122.125 119.950 -0.306 0.000 2.434 32 F HA 0.513 5.046 4.527 0.009 0.000 0.355 32 F C -0.287 175.310 175.800 -0.337 0.000 1.115 32 F CA -0.305 57.582 58.000 -0.189 0.000 1.010 32 F CB 1.496 40.518 39.000 0.037 0.000 1.234 32 F HN 0.343 nan 8.300 nan 0.000 0.439 33 L N 2.205 123.282 121.223 -0.243 0.000 2.334 33 L HA 0.753 5.099 4.340 0.010 0.000 0.276 33 L C 0.803 177.575 176.870 -0.164 0.000 1.014 33 L CA -1.107 53.532 54.840 -0.336 0.000 0.815 33 L CB 1.835 43.478 42.059 -0.693 0.000 1.268 33 L HN 0.819 nan 8.230 nan 0.000 0.428 34 G N 2.902 111.667 108.800 -0.059 0.000 2.225 34 G HA2 -0.250 3.716 3.960 0.010 0.000 0.264 34 G HA3 -0.250 3.716 3.960 0.010 0.000 0.264 34 G C -0.154 174.791 174.900 0.075 0.000 1.060 34 G CA -0.339 44.746 45.100 -0.026 0.000 0.833 34 G HN 0.488 nan 8.290 nan 0.000 0.498 35 I N 2.167 122.785 120.570 0.080 0.000 2.436 35 I HA 0.228 4.404 4.170 0.010 0.000 0.289 35 I C -1.411 174.777 176.117 0.118 0.000 1.083 35 I CA -2.072 59.262 61.300 0.057 0.000 1.372 35 I CB 0.925 38.906 38.000 -0.030 0.000 1.408 35 I HN -0.018 nan 8.210 nan 0.000 0.516 36 P HA 0.034 nan 4.420 nan 0.000 0.276 36 P C -0.210 177.072 177.300 -0.030 0.000 1.235 36 P CA 0.040 63.037 63.100 -0.172 0.000 0.772 36 P CB 0.487 32.063 31.700 -0.206 0.000 0.871 37 F N 0.908 120.725 119.950 -0.221 0.000 2.706 37 F HA 0.731 5.264 4.527 0.010 0.000 0.313 37 F C 0.074 175.877 175.800 0.005 0.000 1.096 37 F CA -0.686 57.251 58.000 -0.105 0.000 1.219 37 F CB 0.309 39.142 39.000 -0.278 0.000 1.051 37 F HN 0.333 nan 8.300 nan 0.000 0.568 38 A N 0.109 122.624 122.820 -0.508 0.000 2.606 38 A HA 0.553 4.879 4.320 0.010 0.000 0.293 38 A C -0.962 176.435 177.584 -0.311 0.000 1.082 38 A CA -0.786 51.023 52.037 -0.380 0.000 0.685 38 A CB 1.032 19.693 19.000 -0.565 0.000 1.284 38 A HN 0.063 nan 8.150 nan 0.000 0.408 39 E N 1.318 121.418 120.200 -0.167 0.000 2.384 39 E HA 0.247 4.603 4.350 0.010 0.000 0.266 39 E C -2.309 174.185 176.600 -0.177 0.000 1.012 39 E CA -1.320 55.004 56.400 -0.126 0.000 0.901 39 E CB 0.143 29.809 29.700 -0.057 0.000 0.967 39 E HN 0.242 nan 8.360 nan 0.000 0.435 40 P HA -0.019 nan 4.420 nan 0.000 0.258 40 P C -2.202 175.027 177.300 -0.118 0.000 1.172 40 P CA -0.658 62.352 63.100 -0.149 0.000 0.762 40 P CB -0.100 31.552 31.700 -0.081 0.000 0.764 41 P HA -0.003 nan 4.420 nan 0.000 0.228 41 P C -0.067 177.169 177.300 -0.107 0.000 1.748 41 P CA 0.114 63.150 63.100 -0.106 0.000 0.909 41 P CB -0.158 31.479 31.700 -0.105 0.000 1.882 42 V N -2.879 116.980 119.914 -0.091 0.000 3.211 42 V HA 0.865 4.991 4.120 0.010 0.000 0.319 42 V C 1.175 177.225 176.094 -0.073 0.000 1.096 42 V CA 0.221 62.467 62.300 -0.089 0.000 1.029 42 V CB 0.566 32.347 31.823 -0.070 0.000 1.137 42 V HN 0.503 nan 8.190 nan 0.000 0.453 43 G N 1.984 110.743 108.800 -0.068 0.000 2.665 43 G HA2 -0.392 3.574 3.960 0.010 0.000 0.326 43 G HA3 -0.392 3.574 3.960 0.010 0.000 0.326 43 G C 1.296 176.171 174.900 -0.041 0.000 1.231 43 G CA 2.068 47.141 45.100 -0.045 0.000 0.992 43 G HN 2.387 nan 8.290 nan 0.000 0.549 44 S N 0.687 116.374 115.700 -0.021 0.000 2.603 44 S HA 0.101 4.577 4.470 0.010 0.000 0.229 44 S C 1.836 176.431 174.600 -0.007 0.000 0.972 44 S CA 1.424 59.622 58.200 -0.004 0.000 0.935 44 S CB -0.015 63.188 63.200 0.005 0.000 0.769 44 S HN 0.658 nan 8.310 nan 0.000 0.536 45 R N 0.832 121.312 120.500 -0.034 0.000 2.312 45 R HA 0.241 4.587 4.340 0.010 0.000 0.205 45 R C 0.796 177.051 176.300 -0.075 0.000 0.904 45 R CA -0.225 55.852 56.100 -0.037 0.000 1.052 45 R CB -0.111 30.163 30.300 -0.043 0.000 1.014 45 R HN 0.442 nan 8.270 nan 0.000 0.503 46 R N 0.923 121.333 120.500 -0.149 0.000 2.585 46 R HA -0.125 4.221 4.340 0.010 0.000 0.275 46 R C -0.263 175.831 176.300 -0.344 0.000 1.018 46 R CA 0.637 56.514 56.100 -0.373 0.000 1.072 46 R CB 0.089 30.052 30.300 -0.562 0.000 0.953 46 R HN 0.092 nan 8.270 nan 0.000 0.419 47 F N -0.772 119.182 119.950 0.006 0.000 2.619 47 F HA -0.301 4.232 4.527 0.009 0.000 0.425 47 F C 0.186 175.966 175.800 -0.033 0.000 0.575 47 F CA 0.599 58.577 58.000 -0.037 0.000 1.289 47 F CB -1.429 37.538 39.000 -0.056 0.000 1.859 47 F HN 0.449 nan 8.300 nan 0.000 0.280 48 M N 1.622 121.275 119.600 0.089 0.000 2.288 48 M HA 0.363 4.849 4.480 0.010 0.000 0.334 48 M C -1.868 174.448 176.300 0.027 0.000 1.150 48 M CA -1.390 53.944 55.300 0.056 0.000 1.118 48 M CB 0.372 32.993 32.600 0.036 0.000 1.501 48 M HN -0.335 nan 8.290 nan 0.000 0.462 49 P HA 0.081 nan 4.420 nan 0.000 0.267 49 P C -2.410 174.906 177.300 0.026 0.000 1.201 49 P CA -0.470 62.651 63.100 0.036 0.000 0.775 49 P CB -0.499 31.233 31.700 0.053 0.000 0.854 50 P HA 0.205 nan 4.420 nan 0.000 0.279 50 P C -0.684 176.634 177.300 0.029 0.000 1.239 50 P CA -0.029 63.078 63.100 0.011 0.000 0.789 50 P CB 0.955 32.669 31.700 0.023 0.000 0.933 51 E N 3.259 123.461 120.200 0.005 0.000 2.191 51 E HA 0.363 4.719 4.350 0.010 0.000 0.278 51 E C -2.234 174.380 176.600 0.023 0.000 0.972 51 E CA -2.242 54.171 56.400 0.022 0.000 0.804 51 E CB 0.532 30.240 29.700 0.012 0.000 1.110 51 E HN 0.352 nan 8.360 nan 0.000 0.394 52 P HA -0.074 nan 4.420 nan 0.000 0.267 52 P C -0.725 176.620 177.300 0.076 0.000 1.200 52 P CA -0.153 63.005 63.100 0.097 0.000 0.772 52 P CB 0.429 32.200 31.700 0.119 0.000 0.855 53 K N 3.372 123.833 120.400 0.102 0.000 2.484 53 K HA 0.002 4.328 4.320 0.010 0.000 0.280 53 K C -0.096 176.594 176.600 0.150 0.000 1.013 53 K CA 0.581 56.939 56.287 0.118 0.000 1.029 53 K CB 0.056 32.675 32.500 0.199 0.000 0.902 53 K HN 0.246 nan 8.250 nan 0.000 0.481 54 R N 5.214 125.791 120.500 0.128 0.000 2.390 54 R HA 0.238 4.584 4.340 0.010 0.000 0.291 54 R C -2.033 174.352 176.300 0.140 0.000 1.070 54 R CA -1.716 54.446 56.100 0.103 0.000 1.014 54 R CB 0.504 30.849 30.300 0.075 0.000 1.007 54 R HN 0.579 nan 8.270 nan 0.000 0.466 55 P HA -0.096 nan 4.420 nan 0.000 0.266 55 P C -1.162 176.147 177.300 0.016 0.000 1.193 55 P CA 0.111 63.130 63.100 -0.135 0.000 0.770 55 P CB 0.311 31.889 31.700 -0.203 0.000 0.836 56 W N 0.989 122.323 121.300 0.056 0.000 2.578 56 W HA 0.700 5.366 4.660 0.009 0.000 0.364 56 W C -0.658 175.887 176.519 0.043 0.000 1.144 56 W CA -0.888 56.488 57.345 0.050 0.000 1.242 56 W CB 0.006 29.505 29.460 0.063 0.000 1.382 56 W HN 0.361 nan 8.180 nan 0.000 0.625 57 S N 0.900 116.762 115.700 0.270 0.000 2.537 57 S HA 0.887 5.363 4.470 0.010 0.000 0.301 57 S C 0.134 174.883 174.600 0.249 0.000 1.092 57 S CA -0.152 58.145 58.200 0.162 0.000 1.048 57 S CB 1.089 64.343 63.200 0.091 0.000 1.053 57 S HN 2.116 nan 8.310 nan 0.000 0.501 58 G N 0.137 109.048 108.800 0.185 0.000 2.728 58 G HA2 -0.064 3.902 3.960 0.010 0.000 0.294 58 G HA3 -0.064 3.902 3.960 0.010 0.000 0.294 58 G C -0.891 174.164 174.900 0.259 0.000 1.342 58 G CA -0.524 44.684 45.100 0.180 0.000 0.866 58 G HN 1.614 nan 8.290 nan 0.000 0.534 59 V N 0.891 120.918 119.914 0.189 0.000 2.385 59 V HA 0.485 4.611 4.120 0.010 0.000 0.269 59 V C 1.092 177.281 176.094 0.157 0.000 1.043 59 V CA -0.235 62.185 62.300 0.201 0.000 0.906 59 V CB 1.059 32.961 31.823 0.132 0.000 0.995 59 V HN 0.808 nan 8.190 nan 0.000 0.467 60 L N 4.744 126.070 121.223 0.172 0.000 2.410 60 L HA 0.250 4.596 4.340 0.010 0.000 0.273 60 L C 0.689 177.551 176.870 -0.013 0.000 1.144 60 L CA 0.176 54.969 54.840 -0.079 0.000 0.863 60 L CB 0.558 42.329 42.059 -0.481 0.000 1.140 60 L HN 0.710 nan 8.230 nan 0.000 0.463 61 D N 4.851 125.219 120.400 -0.052 0.000 2.343 61 D HA 0.162 4.808 4.640 0.010 0.000 0.255 61 D C -0.406 175.855 176.300 -0.064 0.000 1.187 61 D CA 0.036 54.013 54.000 -0.039 0.000 0.875 61 D CB 1.473 42.241 40.800 -0.054 0.000 1.136 61 D HN 0.665 nan 8.370 nan 0.000 0.469 62 A N 3.181 125.988 122.820 -0.023 0.000 2.985 62 A HA 0.201 4.527 4.320 0.010 0.000 0.303 62 A C 0.947 178.453 177.584 -0.131 0.000 1.048 62 A CA -0.405 51.612 52.037 -0.033 0.000 1.016 62 A CB -0.076 19.008 19.000 0.138 0.000 1.118 62 A HN 0.575 nan 8.150 nan 0.000 0.529 63 T N -3.253 111.202 114.554 -0.165 0.000 3.023 63 T HA 0.248 4.604 4.350 0.010 0.000 0.253 63 T C 0.722 175.263 174.700 -0.264 0.000 1.038 63 T CA 0.819 62.790 62.100 -0.215 0.000 0.962 63 T CB -0.158 68.617 68.868 -0.156 0.000 1.018 63 T HN 0.716 nan 8.240 nan 0.000 0.521 64 T N -0.366 114.033 114.554 -0.257 0.000 2.900 64 T HA 0.692 5.047 4.350 0.010 0.000 0.295 64 T C -0.692 173.847 174.700 -0.269 0.000 1.044 64 T CA -0.892 61.047 62.100 -0.268 0.000 0.995 64 T CB 1.031 69.811 68.868 -0.148 0.000 1.072 64 T HN 0.008 nan 8.240 nan 0.000 0.473 65 F N 2.206 122.090 119.950 -0.110 0.000 2.602 65 F HA 0.257 4.789 4.527 0.010 0.000 0.367 65 F C 1.529 177.233 175.800 -0.159 0.000 1.126 65 F CA 0.029 57.965 58.000 -0.107 0.000 1.321 65 F CB 0.369 39.334 39.000 -0.058 0.000 1.094 65 F HN 0.500 nan 8.300 nan 0.000 0.594 66 Q N 1.334 121.147 119.800 0.022 0.000 2.173 66 Q HA 0.213 4.559 4.340 0.010 0.000 0.186 66 Q C -0.088 175.843 176.000 -0.114 0.000 1.018 66 Q CA -0.770 54.898 55.803 -0.224 0.000 1.064 66 Q CB 0.494 28.821 28.738 -0.685 0.000 1.130 66 Q HN 0.512 nan 8.270 nan 0.000 0.553 67 N N -0.210 118.389 118.700 -0.168 0.000 2.374 67 N HA 0.001 4.747 4.740 0.010 0.000 0.241 67 N C -0.552 174.948 175.510 -0.017 0.000 1.262 67 N CA 0.170 53.178 53.050 -0.070 0.000 0.880 67 N CB 0.356 38.820 38.487 -0.039 0.000 1.105 67 N HN 0.164 nan 8.380 nan 0.000 0.438 68 V N 1.534 121.413 119.914 -0.058 0.000 2.607 68 V HA 0.111 4.237 4.120 0.010 0.000 0.289 68 V C 0.568 176.622 176.094 -0.068 0.000 1.053 68 V CA -0.851 61.405 62.300 -0.073 0.000 0.996 68 V CB 1.137 32.881 31.823 -0.132 0.000 0.995 68 V HN 0.696 nan 8.190 nan 0.000 0.476 69 c N 4.110 122.687 118.600 -0.037 0.000 2.642 69 c HA 0.122 4.698 4.570 0.010 0.000 0.420 69 c C 0.510 174.565 174.090 -0.060 0.000 1.349 69 c CA -0.617 55.695 56.329 -0.029 0.000 1.821 69 c CB -1.192 41.330 42.510 0.021 0.000 2.637 69 c HN 0.747 nan 8.230 nan 0.000 0.605 70 Y N 3.913 124.081 120.300 -0.219 0.000 2.805 70 Y HA 0.146 4.702 4.550 0.010 0.000 0.331 70 Y C 0.896 176.813 175.900 0.028 0.000 1.241 70 Y CA 1.146 59.113 58.100 -0.222 0.000 1.546 70 Y CB 0.150 38.246 38.460 -0.608 0.000 1.248 70 Y HN 0.738 nan 8.280 nan 0.000 0.559 71 Q N 4.131 123.987 119.800 0.092 0.000 2.522 71 Q HA 0.221 4.567 4.340 0.010 0.000 0.285 71 Q C -1.788 174.400 176.000 0.313 0.000 0.982 71 Q CA -1.235 54.743 55.803 0.292 0.000 0.805 71 Q CB 1.201 30.056 28.738 0.194 0.000 1.457 71 Q HN 0.651 nan 8.270 nan 0.000 0.394 72 Y N 1.335 121.857 120.300 0.370 0.000 2.717 72 Y HA 0.283 4.839 4.550 0.010 0.000 0.330 72 Y C -0.964 175.120 175.900 0.308 0.000 1.217 72 Y CA 0.366 58.698 58.100 0.387 0.000 1.506 72 Y CB 0.775 39.586 38.460 0.585 0.000 1.268 72 Y HN 0.442 nan 8.280 nan 0.000 0.561 73 V N 7.115 126.763 119.914 -0.444 0.000 2.384 73 V HA 0.100 4.226 4.120 0.010 0.000 0.287 73 V C -0.419 175.400 176.094 -0.459 0.000 1.020 73 V CA -0.996 61.130 62.300 -0.290 0.000 0.850 73 V CB 1.410 33.125 31.823 -0.180 0.000 0.987 73 V HN 0.780 nan 8.190 nan 0.000 0.436 74 D N 3.355 123.706 120.400 -0.083 0.000 2.425 74 D HA 0.252 4.898 4.640 0.010 0.000 0.247 74 D C 0.886 177.220 176.300 0.057 0.000 1.147 74 D CA 0.465 54.520 54.000 0.092 0.000 0.879 74 D CB 1.132 42.127 40.800 0.325 0.000 1.179 74 D HN 0.736 nan 8.370 nan 0.000 0.456 75 T N 1.363 115.954 114.554 0.061 0.000 3.275 75 T HA 0.054 4.410 4.350 0.010 0.000 0.298 75 T C 1.311 176.007 174.700 -0.007 0.000 0.988 75 T CA -0.496 61.619 62.100 0.026 0.000 0.936 75 T CB -0.121 68.735 68.868 -0.020 0.000 1.159 75 T HN 0.264 nan 8.240 nan 0.000 0.519 76 L N 0.870 122.087 121.223 -0.009 0.000 2.017 76 L HA 0.198 4.544 4.340 0.010 0.000 0.208 76 L C -0.199 176.342 176.870 -0.547 0.000 1.073 76 L CA 1.635 56.285 54.840 -0.315 0.000 0.745 76 L CB -0.365 41.406 42.059 -0.481 0.000 0.894 76 L HN 0.429 nan 8.230 nan 0.000 0.432 77 Y N -0.238 120.083 120.300 0.036 0.000 2.748 77 Y HA 0.412 4.968 4.550 0.010 0.000 0.359 77 Y C -2.166 173.768 175.900 0.056 0.000 1.030 77 Y CA -3.366 54.733 58.100 -0.002 0.000 1.169 77 Y CB -0.181 38.226 38.460 -0.087 0.000 1.127 77 Y HN 0.057 nan 8.280 nan 0.000 0.644 78 P HA 0.114 nan 4.420 nan 0.000 0.256 78 P C 0.997 178.350 177.300 0.089 0.000 1.189 78 P CA 1.428 64.578 63.100 0.084 0.000 0.808 78 P CB 0.291 32.013 31.700 0.036 0.000 0.793 79 G N 2.782 111.638 108.800 0.092 0.000 2.231 79 G HA2 -0.235 3.730 3.960 0.010 0.000 0.206 79 G HA3 -0.235 3.730 3.960 0.010 0.000 0.206 79 G C -0.166 174.787 174.900 0.089 0.000 0.996 79 G CA -0.683 44.455 45.100 0.063 0.000 0.645 79 G HN 0.484 nan 8.290 nan 0.000 0.498 80 F N 2.552 122.466 119.950 -0.060 0.000 2.427 80 F HA 0.618 5.151 4.527 0.009 0.000 0.352 80 F C 1.409 177.117 175.800 -0.153 0.000 1.100 80 F CA -0.422 57.490 58.000 -0.146 0.000 1.191 80 F CB 1.588 40.469 39.000 -0.199 0.000 1.128 80 F HN 0.186 nan 8.300 nan 0.000 0.533 81 E N 3.877 123.679 120.200 -0.664 0.000 2.110 81 E HA -0.068 4.287 4.350 0.010 0.000 0.193 81 E C 2.191 178.331 176.600 -0.767 0.000 0.988 81 E CA 1.790 57.827 56.400 -0.605 0.000 0.804 81 E CB -0.531 28.882 29.700 -0.478 0.000 0.745 81 E HN 0.906 nan 8.360 nan 0.000 0.458 82 G N -0.627 107.224 108.800 -1.581 0.000 2.475 82 G HA2 -0.328 3.638 3.960 0.010 0.000 0.220 82 G HA3 -0.328 3.638 3.960 0.010 0.000 0.220 82 G C 1.703 176.640 174.900 0.061 0.000 1.125 82 G CA 1.722 46.205 45.100 -1.029 0.000 0.755 82 G HN 0.502 nan 8.290 nan 0.000 0.565 83 T N -2.475 112.096 114.554 0.029 0.000 3.039 83 T HA 0.164 4.520 4.350 0.010 0.000 0.250 83 T C 1.915 176.771 174.700 0.260 0.000 1.052 83 T CA 0.741 63.131 62.100 0.483 0.000 1.125 83 T CB 0.133 69.335 68.868 0.558 0.000 0.908 83 T HN 0.094 nan 8.240 nan 0.000 0.473 84 E N 2.254 122.467 120.200 0.022 0.000 2.150 84 E HA -0.065 4.291 4.350 0.010 0.000 0.193 84 E C 2.268 178.781 176.600 -0.145 0.000 0.985 84 E CA 1.279 57.655 56.400 -0.041 0.000 0.814 84 E CB -0.494 29.153 29.700 -0.089 0.000 0.752 84 E HN 0.794 nan 8.360 nan 0.000 0.466 85 M N -2.018 117.398 119.600 -0.305 0.000 2.346 85 M HA -0.117 4.368 4.480 0.010 0.000 0.263 85 M C 1.276 177.183 176.300 -0.656 0.000 1.064 85 M CA 1.522 56.483 55.300 -0.564 0.000 1.083 85 M CB -0.617 31.513 32.600 -0.782 0.000 1.399 85 M HN 0.017 nan 8.290 nan 0.000 0.435 86 W N 0.941 122.189 121.300 -0.086 0.000 3.211 86 W HA 0.279 4.945 4.660 0.009 0.000 0.292 86 W C 0.383 176.838 176.519 -0.107 0.000 1.268 86 W CA -0.981 56.300 57.345 -0.107 0.000 1.702 86 W CB -0.158 29.291 29.460 -0.018 0.000 1.092 86 W HN 0.111 nan 8.180 nan 0.000 0.643 87 N N 1.572 120.311 118.700 0.065 0.000 2.503 87 N HA 0.144 4.889 4.740 0.010 0.000 0.267 87 N C -2.381 173.083 175.510 -0.077 0.000 1.214 87 N CA -1.495 51.563 53.050 0.012 0.000 0.959 87 N CB -0.038 38.452 38.487 0.005 0.000 1.142 87 N HN -0.330 nan 8.380 nan 0.000 0.455 88 P HA 0.046 nan 4.420 nan 0.000 0.265 88 P C 0.192 177.411 177.300 -0.135 0.000 1.187 88 P CA 0.124 63.144 63.100 -0.134 0.000 0.766 88 P CB 0.344 31.962 31.700 -0.136 0.000 0.820 89 N N 1.657 120.265 118.700 -0.153 0.000 2.197 89 N HA 0.103 4.848 4.740 0.010 0.000 0.228 89 N C 0.067 175.512 175.510 -0.107 0.000 1.212 89 N CA -0.076 52.892 53.050 -0.136 0.000 0.883 89 N CB 0.526 38.914 38.487 -0.165 0.000 1.107 89 N HN 0.151 nan 8.380 nan 0.000 0.519 90 R N 0.174 120.609 120.500 -0.108 0.000 2.817 90 R HA 0.266 4.612 4.340 0.010 0.000 0.268 90 R C -0.715 175.527 176.300 -0.098 0.000 1.027 90 R CA -0.656 55.395 56.100 -0.082 0.000 0.928 90 R CB 1.316 31.579 30.300 -0.062 0.000 1.228 90 R HN 0.291 nan 8.270 nan 0.000 0.469 91 E N 1.612 121.760 120.200 -0.087 0.000 2.502 91 E HA -0.021 4.335 4.350 0.010 0.000 0.261 91 E C -0.466 176.059 176.600 -0.125 0.000 0.974 91 E CA 0.034 56.377 56.400 -0.095 0.000 0.936 91 E CB 0.523 30.181 29.700 -0.071 0.000 0.926 91 E HN 0.270 nan 8.360 nan 0.000 0.459 92 L N 3.652 124.761 121.223 -0.189 0.000 2.367 92 L HA 0.213 4.558 4.340 0.010 0.000 0.275 92 L C 0.344 177.117 176.870 -0.162 0.000 1.129 92 L CA 0.030 54.685 54.840 -0.309 0.000 0.839 92 L CB 1.019 42.666 42.059 -0.686 0.000 1.133 92 L HN 0.437 nan 8.230 nan 0.000 0.453 93 S N 1.319 116.985 115.700 -0.057 0.000 2.547 93 S HA 0.210 4.686 4.470 0.010 0.000 0.270 93 S C 0.246 174.864 174.600 0.030 0.000 1.150 93 S CA -0.654 57.588 58.200 0.069 0.000 0.850 93 S CB 1.798 65.011 63.200 0.021 0.000 1.118 93 S HN 0.740 nan 8.310 nan 0.000 0.461 94 E N 0.790 120.969 120.200 -0.036 0.000 2.358 94 E HA -0.030 4.326 4.350 0.010 0.000 0.195 94 E C -0.425 176.121 176.600 -0.090 0.000 1.010 94 E CA 0.357 56.653 56.400 -0.173 0.000 0.856 94 E CB 0.180 29.719 29.700 -0.268 0.000 0.795 94 E HN 0.511 nan 8.360 nan 0.000 0.504 95 D N 0.143 120.530 120.400 -0.022 0.000 2.453 95 D HA 0.005 4.651 4.640 0.010 0.000 0.223 95 D C 0.038 176.433 176.300 0.159 0.000 1.183 95 D CA -0.269 53.752 54.000 0.035 0.000 0.933 95 D CB 0.171 41.010 40.800 0.065 0.000 1.038 95 D HN 0.132 nan 8.370 nan 0.000 0.513 96 c N 2.623 121.289 118.600 0.111 0.000 4.095 96 c HA 0.345 4.920 4.570 0.010 0.000 0.327 96 c C 0.612 174.803 174.090 0.168 0.000 1.811 96 c CA -0.603 55.856 56.329 0.216 0.000 1.785 96 c CB -1.158 41.405 42.510 0.089 0.000 3.120 96 c HN 0.448 nan 8.230 nan 0.000 0.621 97 L N 2.591 123.681 121.223 -0.222 0.000 2.384 97 L HA 0.378 4.724 4.340 0.010 0.000 0.258 97 L C -0.910 175.485 176.870 -0.792 0.000 1.266 97 L CA 0.615 55.149 54.840 -0.509 0.000 1.162 97 L CB -0.754 40.834 42.059 -0.784 0.000 1.375 97 L HN 0.401 nan 8.230 nan 0.000 0.420 98 Y N 1.813 122.179 120.300 0.110 0.000 2.576 98 Y HA 0.641 5.197 4.550 0.009 0.000 0.346 98 Y C -0.068 176.030 175.900 0.331 0.000 1.018 98 Y CA -1.216 56.993 58.100 0.182 0.000 1.050 98 Y CB 2.040 40.530 38.460 0.051 0.000 1.280 98 Y HN 0.198 nan 8.280 nan 0.000 0.474 99 L N -0.231 121.160 121.223 0.279 0.000 2.303 99 L HA 0.776 5.122 4.340 0.010 0.000 0.256 99 L C -1.300 175.550 176.870 -0.035 0.000 1.034 99 L CA -1.139 53.721 54.840 0.033 0.000 0.832 99 L CB 1.759 43.624 42.059 -0.324 0.000 1.403 99 L HN 0.472 nan 8.230 nan 0.000 0.419 100 N N 0.115 118.792 118.700 -0.039 0.000 2.269 100 N HA 0.729 5.475 4.740 0.010 0.000 0.304 100 N C -1.508 173.867 175.510 -0.224 0.000 1.072 100 N CA -0.435 52.510 53.050 -0.175 0.000 0.802 100 N CB 2.878 41.276 38.487 -0.147 0.000 1.348 100 N HN 0.501 nan 8.380 nan 0.000 0.484 101 V N 1.480 121.182 119.914 -0.353 0.000 2.577 101 V HA 0.459 4.585 4.120 0.010 0.000 0.303 101 V C -0.882 175.095 176.094 -0.196 0.000 1.042 101 V CA -0.776 61.404 62.300 -0.199 0.000 0.872 101 V CB 2.228 33.820 31.823 -0.385 0.000 0.998 101 V HN 0.558 nan 8.190 nan 0.000 0.423 102 W N 2.997 124.372 121.300 0.124 0.000 2.587 102 W HA 0.687 5.353 4.660 0.011 0.000 0.324 102 W C 0.100 176.710 176.519 0.151 0.000 1.040 102 W CA -0.457 56.968 57.345 0.133 0.000 1.222 102 W CB 2.452 31.975 29.460 0.106 0.000 1.381 102 W HN 0.649 nan 8.180 nan 0.000 0.483 103 T N 0.174 114.965 114.554 0.395 0.000 2.896 103 T HA 0.517 4.873 4.350 0.010 0.000 0.297 103 T C -2.791 172.077 174.700 0.280 0.000 1.108 103 T CA -2.430 59.862 62.100 0.319 0.000 1.004 103 T CB 2.317 71.396 68.868 0.350 0.000 1.159 103 T HN -0.100 nan 8.240 nan 0.000 0.499 104 P HA 0.149 nan 4.420 nan 0.000 0.270 104 P C -1.517 175.928 177.300 0.241 0.000 1.221 104 P CA -0.049 63.168 63.100 0.194 0.000 0.788 104 P CB 0.097 31.881 31.700 0.141 0.000 0.904 105 Y N 1.902 122.253 120.300 0.085 0.000 2.329 105 Y HA 0.408 4.963 4.550 0.009 0.000 0.328 105 Y C -2.270 173.663 175.900 0.055 0.000 0.992 105 Y CA -2.415 55.729 58.100 0.074 0.000 1.151 105 Y CB 1.233 39.725 38.460 0.053 0.000 1.150 105 Y HN 0.324 nan 8.280 nan 0.000 0.450 106 P HA 0.233 nan 4.420 nan 0.000 0.272 106 P C -0.903 176.348 177.300 -0.082 0.000 1.240 106 P CA -0.378 62.505 63.100 -0.361 0.000 0.791 106 P CB 1.123 32.661 31.700 -0.270 0.000 0.978 107 R N 1.118 121.590 120.500 -0.048 0.000 2.698 107 R HA 0.150 4.496 4.340 0.010 0.000 0.266 107 R C -1.621 174.705 176.300 0.043 0.000 1.026 107 R CA -1.004 55.134 56.100 0.063 0.000 1.102 107 R CB -0.778 29.580 30.300 0.096 0.000 0.978 107 R HN 0.485 nan 8.270 nan 0.000 0.436 108 P HA -0.030 nan 4.420 nan 0.000 0.269 108 P C -0.265 177.054 177.300 0.031 0.000 1.215 108 P CA 0.086 63.217 63.100 0.050 0.000 0.780 108 P CB 0.836 32.575 31.700 0.064 0.000 0.898 109 A N 2.635 125.467 122.820 0.020 0.000 1.855 109 A HA 0.003 4.329 4.320 0.010 0.000 0.213 109 A C 1.145 178.734 177.584 0.009 0.000 1.195 109 A CA 1.396 53.438 52.037 0.009 0.000 0.610 109 A CB -1.138 17.865 19.000 0.005 0.000 0.837 109 A HN 0.704 nan 8.150 nan 0.000 0.444 110 S N 0.630 116.338 115.700 0.012 0.000 2.541 110 S HA 0.534 5.010 4.470 0.010 0.000 0.283 110 S C -2.831 171.779 174.600 0.017 0.000 1.196 110 S CA -1.706 56.500 58.200 0.010 0.000 1.062 110 S CB 0.770 63.974 63.200 0.005 0.000 1.009 110 S HN 0.223 nan 8.310 nan 0.000 0.502 111 P HA 0.041 nan 4.420 nan 0.000 0.257 111 P C -0.520 176.795 177.300 0.024 0.000 1.162 111 P CA 0.376 63.489 63.100 0.021 0.000 0.762 111 P CB -0.248 31.457 31.700 0.008 0.000 0.753 112 T N 5.612 120.192 114.554 0.043 0.000 2.824 112 T HA 0.388 4.743 4.350 0.010 0.000 0.280 112 T C -2.388 172.341 174.700 0.048 0.000 0.995 112 T CA -1.935 60.192 62.100 0.045 0.000 1.009 112 T CB 0.771 69.679 68.868 0.067 0.000 0.955 112 T HN 0.187 nan 8.240 nan 0.000 0.452 113 P HA 0.095 nan 4.420 nan 0.000 0.263 113 P C -0.844 176.494 177.300 0.065 0.000 1.175 113 P CA -0.109 63.009 63.100 0.029 0.000 0.761 113 P CB 0.345 32.044 31.700 -0.002 0.000 0.794 114 V N 5.248 125.217 119.914 0.092 0.000 2.435 114 V HA 0.329 4.454 4.120 0.010 0.000 0.290 114 V C 0.299 176.480 176.094 0.145 0.000 1.030 114 V CA -0.514 61.865 62.300 0.132 0.000 0.881 114 V CB 1.371 33.287 31.823 0.155 0.000 0.983 114 V HN 0.349 nan 8.190 nan 0.000 0.445 115 L N 5.835 127.159 121.223 0.168 0.000 2.305 115 L HA 0.584 4.930 4.340 0.010 0.000 0.284 115 L C -0.605 176.506 176.870 0.402 0.000 1.013 115 L CA -0.290 54.675 54.840 0.209 0.000 0.819 115 L CB 1.553 43.627 42.059 0.026 0.000 1.227 115 L HN 0.496 nan 8.230 nan 0.000 0.417 116 I N 3.087 123.923 120.570 0.443 0.000 2.330 116 I HA 0.192 4.368 4.170 0.010 0.000 0.289 116 I C -0.473 175.937 176.117 0.489 0.000 1.001 116 I CA -0.414 61.128 61.300 0.404 0.000 1.193 116 I CB 1.223 39.336 38.000 0.190 0.000 1.345 116 I HN 0.639 nan 8.210 nan 0.000 0.461 117 W N 8.544 129.961 121.300 0.195 0.000 2.316 117 W HA 0.536 5.201 4.660 0.008 0.000 0.311 117 W C -1.432 174.977 176.519 -0.183 0.000 1.217 117 W CA -0.565 56.643 57.345 -0.229 0.000 1.199 117 W CB 1.136 30.494 29.460 -0.170 0.000 1.202 117 W HN 0.360 nan 8.180 nan 0.000 0.528 118 I N 9.092 128.993 120.570 -1.116 0.000 2.411 118 I HA 0.073 4.248 4.170 0.010 0.000 0.284 118 I C -0.307 174.987 176.117 -1.371 0.000 1.012 118 I CA -1.143 59.571 61.300 -0.977 0.000 1.119 118 I CB 0.732 38.340 38.000 -0.654 0.000 1.261 118 I HN 0.310 nan 8.210 nan 0.000 0.448 119 Y N 4.443 124.242 120.300 -0.835 0.000 2.457 119 Y HA 0.637 5.192 4.550 0.009 0.000 0.341 119 Y C 0.764 176.483 175.900 -0.302 0.000 1.240 119 Y CA -0.712 57.044 58.100 -0.573 0.000 1.437 119 Y CB -0.041 38.321 38.460 -0.163 0.000 1.328 119 Y HN 0.539 nan 8.280 nan 0.000 0.588 120 G N -0.786 108.013 108.800 -0.001 0.000 2.568 120 G HA2 0.498 4.464 3.960 0.010 0.000 0.293 120 G HA3 0.498 4.464 3.960 0.010 0.000 0.293 120 G C 0.249 175.088 174.900 -0.102 0.000 1.347 120 G CA -0.921 44.105 45.100 -0.123 0.000 1.039 120 G HN 1.715 nan 8.290 nan 0.000 0.523 121 G N -2.803 105.777 108.800 -0.367 0.000 2.223 121 G HA2 0.413 4.379 3.960 0.010 0.000 0.200 121 G HA3 0.413 4.379 3.960 0.010 0.000 0.200 121 G C 1.020 175.392 174.900 -0.881 0.000 1.061 121 G CA 0.725 45.498 45.100 -0.546 0.000 0.790 121 G HN 2.333 nan 8.290 nan 0.000 0.498 122 G N -0.489 107.767 108.800 -0.907 0.000 2.166 122 G HA2 -0.150 3.815 3.960 0.010 0.000 0.260 122 G HA3 -0.150 3.815 3.960 0.010 0.000 0.260 122 G C 0.920 175.505 174.900 -0.526 0.000 0.986 122 G CA 0.829 45.152 45.100 -1.296 0.000 0.683 122 G HN 1.778 nan 8.290 nan 0.000 0.527 123 F N -3.280 116.521 119.950 -0.248 0.000 2.914 123 F HA -0.298 4.234 4.527 0.009 0.000 0.304 123 F C 1.380 177.255 175.800 0.124 0.000 0.712 123 F CA 2.095 60.066 58.000 -0.050 0.000 1.211 123 F CB -2.115 36.705 39.000 -0.301 0.000 1.515 123 F HN 0.941 nan 8.300 nan 0.000 0.350 124 Y N -1.334 119.060 120.300 0.156 0.000 2.471 124 Y HA 0.661 5.217 4.550 0.009 0.000 0.249 124 Y C 0.574 176.604 175.900 0.216 0.000 1.116 124 Y CA 0.223 58.447 58.100 0.208 0.000 1.240 124 Y CB -0.006 38.530 38.460 0.128 0.000 1.251 124 Y HN 0.078 nan 8.280 nan 0.000 0.527 125 S N -0.684 114.757 115.700 -0.433 0.000 2.688 125 S HA 0.913 5.389 4.470 0.010 0.000 0.275 125 S C -0.130 174.318 174.600 -0.253 0.000 1.175 125 S CA -0.531 57.503 58.200 -0.277 0.000 0.818 125 S CB 1.585 64.580 63.200 -0.342 0.000 1.157 125 S HN 1.351 nan 8.310 nan 0.000 0.482 126 G N -0.739 107.881 108.800 -0.299 0.000 2.440 126 G HA2 0.548 4.514 3.960 0.010 0.000 0.684 126 G HA3 0.548 4.514 3.960 0.010 0.000 0.684 126 G C -0.713 173.544 174.900 -1.072 0.000 1.309 126 G CA -0.218 44.525 45.100 -0.596 0.000 0.931 126 G HN 2.232 nan 8.290 nan 0.000 0.612 127 A N -1.260 120.741 122.820 -1.365 0.000 2.594 127 A HA 0.974 5.300 4.320 0.010 0.000 0.296 127 A C 0.470 177.872 177.584 -0.304 0.000 1.056 127 A CA 0.655 52.196 52.037 -0.826 0.000 0.693 127 A CB 0.844 19.619 19.000 -0.375 0.000 1.278 127 A HN 2.592 nan 8.150 nan 0.000 0.408 128 A N 0.501 123.381 122.820 0.100 0.000 2.238 128 A HA 0.318 4.644 4.320 0.010 0.000 0.208 128 A C 1.590 179.217 177.584 0.071 0.000 1.177 128 A CA 1.619 53.879 52.037 0.371 0.000 0.804 128 A CB -0.540 18.738 19.000 0.463 0.000 0.823 128 A HN 1.824 nan 8.150 nan 0.000 0.482 129 S N -0.582 114.928 115.700 -0.317 0.000 2.556 129 S HA 0.324 4.800 4.470 0.010 0.000 0.216 129 S C 0.499 174.659 174.600 -0.734 0.000 0.970 129 S CA -0.484 57.070 58.200 -1.077 0.000 0.912 129 S CB -0.589 61.898 63.200 -1.188 0.000 0.790 129 S HN 0.372 nan 8.310 nan 0.000 0.504 130 L N 2.257 123.213 121.223 -0.445 0.000 2.506 130 L HA 0.124 4.470 4.340 0.010 0.000 0.281 130 L C 1.242 177.799 176.870 -0.522 0.000 1.228 130 L CA -0.414 54.114 54.840 -0.520 0.000 0.850 130 L CB 0.138 41.770 42.059 -0.712 0.000 1.110 130 L HN 0.057 nan 8.230 nan 0.000 0.496 131 D N 1.040 121.169 120.400 -0.451 0.000 2.149 131 D HA -0.145 4.501 4.640 0.010 0.000 0.198 131 D C 2.003 178.032 176.300 -0.451 0.000 0.990 131 D CA 1.434 55.227 54.000 -0.346 0.000 0.839 131 D CB -0.071 40.565 40.800 -0.272 0.000 0.948 131 D HN 0.545 nan 8.370 nan 0.000 0.460 132 V N -1.418 118.076 119.914 -0.699 0.000 3.241 132 V HA -0.148 3.977 4.120 0.010 0.000 0.269 132 V C 0.944 176.442 176.094 -0.994 0.000 1.151 132 V CA 1.049 62.891 62.300 -0.764 0.000 1.158 132 V CB -1.127 30.199 31.823 -0.828 0.000 0.764 132 V HN 0.078 nan 8.190 nan 0.000 0.508 133 Y N -0.042 119.719 120.300 -0.898 0.000 2.555 133 Y HA 0.455 5.010 4.550 0.009 0.000 0.259 133 Y C 0.832 176.170 175.900 -0.935 0.000 1.179 133 Y CA -1.977 55.247 58.100 -1.459 0.000 1.230 133 Y CB -0.660 37.285 38.460 -0.857 0.000 1.146 133 Y HN 0.244 nan 8.280 nan 0.000 0.526 134 D N 0.916 121.033 120.400 -0.471 0.000 2.389 134 D HA 0.024 4.670 4.640 0.010 0.000 0.263 134 D C 1.434 177.400 176.300 -0.557 0.000 1.255 134 D CA 0.572 54.347 54.000 -0.375 0.000 0.914 134 D CB 1.256 41.962 40.800 -0.156 0.000 1.116 134 D HN 0.471 nan 8.370 nan 0.000 0.502 135 G N 4.082 111.919 108.800 -1.605 0.000 2.848 135 G HA2 -0.187 3.779 3.960 0.010 0.000 0.208 135 G HA3 -0.187 3.779 3.960 0.010 0.000 0.208 135 G C 1.511 175.818 174.900 -0.989 0.000 1.152 135 G CA 0.396 44.713 45.100 -1.305 0.000 0.789 135 G HN 0.638 nan 8.290 nan 0.000 0.531 136 R N -0.482 119.374 120.500 -1.073 0.000 2.105 136 R HA -0.072 4.274 4.340 0.010 0.000 0.239 136 R C 1.804 177.818 176.300 -0.477 0.000 1.135 136 R CA 1.553 57.269 56.100 -0.640 0.000 0.967 136 R CB -0.768 29.183 30.300 -0.582 0.000 0.861 136 R HN 0.323 nan 8.270 nan 0.000 0.442 137 F N 1.374 121.225 119.950 -0.165 0.000 2.163 137 F HA 0.045 4.578 4.527 0.010 0.000 0.297 137 F C 2.293 178.028 175.800 -0.108 0.000 1.094 137 F CA 0.765 58.695 58.000 -0.117 0.000 1.290 137 F CB -0.539 38.384 39.000 -0.130 0.000 1.017 137 F HN -0.123 nan 8.300 nan 0.000 0.483 138 L N -0.223 121.021 121.223 0.036 0.000 2.093 138 L HA -0.157 4.189 4.340 0.010 0.000 0.208 138 L C 2.705 179.577 176.870 0.004 0.000 1.085 138 L CA 1.004 55.828 54.840 -0.026 0.000 0.755 138 L CB -0.901 41.090 42.059 -0.113 0.000 0.904 138 L HN 0.176 nan 8.230 nan 0.000 0.435 139 A N -0.771 122.055 122.820 0.010 0.000 1.858 139 A HA -0.256 4.069 4.320 0.010 0.000 0.216 139 A C 2.291 179.916 177.584 0.068 0.000 1.190 139 A CA 1.654 53.736 52.037 0.076 0.000 0.617 139 A CB -0.563 18.523 19.000 0.142 0.000 0.827 139 A HN 0.369 nan 8.150 nan 0.000 0.443 140 Q N -0.191 119.633 119.800 0.041 0.000 2.046 140 Q HA -0.086 4.260 4.340 0.010 0.000 0.200 140 Q C 2.191 178.221 176.000 0.050 0.000 0.975 140 Q CA 2.101 57.932 55.803 0.048 0.000 0.836 140 Q CB -0.310 28.443 28.738 0.025 0.000 0.896 140 Q HN 0.415 nan 8.270 nan 0.000 0.428 141 V N 0.942 120.884 119.914 0.047 0.000 2.446 141 V HA -0.080 4.045 4.120 0.010 0.000 0.244 141 V C 1.794 177.901 176.094 0.021 0.000 1.039 141 V CA 1.394 63.714 62.300 0.035 0.000 1.045 141 V CB -0.117 31.725 31.823 0.032 0.000 0.681 141 V HN 0.208 nan 8.190 nan 0.000 0.459 142 E N -0.175 120.035 120.200 0.017 0.000 2.476 142 E HA 0.194 4.550 4.350 0.010 0.000 0.199 142 E C 1.706 178.321 176.600 0.024 0.000 1.021 142 E CA 0.748 57.154 56.400 0.009 0.000 0.907 142 E CB 0.592 30.287 29.700 -0.008 0.000 0.974 142 E HN 0.588 nan 8.360 nan 0.000 0.489 143 G N 1.594 110.418 108.800 0.041 0.000 2.147 143 G HA2 -0.297 3.669 3.960 0.010 0.000 0.244 143 G HA3 -0.297 3.669 3.960 0.010 0.000 0.244 143 G C 0.473 175.413 174.900 0.068 0.000 1.005 143 G CA 0.368 45.503 45.100 0.057 0.000 0.713 143 G HN 0.476 nan 8.290 nan 0.000 0.515 144 A N -0.687 122.171 122.820 0.064 0.000 2.322 144 A HA 0.733 5.059 4.320 0.010 0.000 0.269 144 A C 0.541 178.202 177.584 0.127 0.000 1.094 144 A CA 0.036 52.117 52.037 0.074 0.000 0.807 144 A CB 1.198 20.222 19.000 0.040 0.000 1.047 144 A HN 1.129 nan 8.150 nan 0.000 0.487 145 V N 2.744 122.742 119.914 0.141 0.000 2.406 145 V HA 0.327 4.453 4.120 0.010 0.000 0.272 145 V C -0.046 176.181 176.094 0.222 0.000 1.043 145 V CA 0.015 62.429 62.300 0.190 0.000 0.915 145 V CB 0.602 32.529 31.823 0.173 0.000 0.988 145 V HN 0.709 nan 8.190 nan 0.000 0.466 146 L N 6.214 127.624 121.223 0.312 0.000 2.346 146 L HA 0.767 5.113 4.340 0.010 0.000 0.276 146 L C -0.818 176.345 176.870 0.489 0.000 1.006 146 L CA -0.258 54.824 54.840 0.402 0.000 0.817 146 L CB 1.946 44.244 42.059 0.397 0.000 1.272 146 L HN 0.443 nan 8.230 nan 0.000 0.421 147 V N 2.818 122.997 119.914 0.441 0.000 2.656 147 V HA 0.729 4.855 4.120 0.010 0.000 0.307 147 V C -0.624 175.716 176.094 0.410 0.000 1.051 147 V CA -0.468 62.039 62.300 0.345 0.000 0.893 147 V CB 2.064 34.015 31.823 0.214 0.000 0.999 147 V HN 0.840 nan 8.190 nan 0.000 0.426 148 S N 4.810 120.734 115.700 0.374 0.000 2.546 148 S HA 0.880 5.355 4.470 0.010 0.000 0.274 148 S C -0.872 173.858 174.600 0.216 0.000 1.121 148 S CA -0.831 57.594 58.200 0.375 0.000 0.887 148 S CB 2.309 65.870 63.200 0.602 0.000 1.094 148 S HN 0.910 nan 8.310 nan 0.000 0.474 149 M N 1.420 121.110 119.600 0.151 0.000 2.535 149 M HA 0.634 5.119 4.480 0.010 0.000 0.314 149 M C -1.737 174.749 176.300 0.310 0.000 1.153 149 M CA -0.527 54.832 55.300 0.098 0.000 0.924 149 M CB 1.317 33.790 32.600 -0.212 0.000 1.710 149 M HN 0.552 nan 8.290 nan 0.000 0.451 150 N N 3.020 121.971 118.700 0.417 0.000 2.529 150 N HA 0.525 5.271 4.740 0.010 0.000 0.278 150 N C -1.322 174.463 175.510 0.459 0.000 1.146 150 N CA 0.140 53.472 53.050 0.469 0.000 0.980 150 N CB 0.486 39.192 38.487 0.365 0.000 1.124 150 N HN 0.715 nan 8.380 nan 0.000 0.458 151 Y N -1.663 118.800 120.300 0.272 0.000 2.576 151 Y HA 0.583 5.139 4.550 0.010 0.000 0.346 151 Y C -0.067 175.970 175.900 0.228 0.000 1.018 151 Y CA -1.367 56.852 58.100 0.199 0.000 1.050 151 Y CB 0.932 39.443 38.460 0.085 0.000 1.280 151 Y HN 0.196 nan 8.280 nan 0.000 0.474 152 R N 1.855 122.486 120.500 0.219 0.000 2.491 152 R HA 0.501 4.847 4.340 0.010 0.000 0.283 152 R C -0.315 176.131 176.300 0.243 0.000 1.072 152 R CA -0.322 55.865 56.100 0.146 0.000 1.048 152 R CB 0.909 31.263 30.300 0.090 0.000 0.983 152 R HN 0.720 nan 8.270 nan 0.000 0.450 153 V N 0.092 120.185 119.914 0.298 0.000 3.166 153 V HA 0.865 4.990 4.120 0.010 0.000 0.317 153 V C 0.848 177.262 176.094 0.533 0.000 1.136 153 V CA -0.170 62.421 62.300 0.485 0.000 1.035 153 V CB 1.097 33.099 31.823 0.298 0.000 1.110 153 V HN 0.960 nan 8.190 nan 0.000 0.450 154 G N 1.594 110.736 108.800 0.571 0.000 2.578 154 G HA2 -0.301 3.664 3.960 0.010 0.000 0.275 154 G HA3 -0.301 3.664 3.960 0.010 0.000 0.275 154 G C 1.013 176.043 174.900 0.216 0.000 1.271 154 G CA 1.652 47.006 45.100 0.422 0.000 0.941 154 G HN 2.303 nan 8.290 nan 0.000 0.564 155 T N -1.672 112.725 114.554 -0.262 0.000 2.635 155 T HA -0.193 4.163 4.350 0.010 0.000 0.267 155 T C 2.142 176.677 174.700 -0.275 0.000 1.040 155 T CA 2.813 64.520 62.100 -0.655 0.000 1.156 155 T CB -0.574 67.753 68.868 -0.901 0.000 0.863 155 T HN 0.719 nan 8.240 nan 0.000 0.430 156 F N 2.206 122.176 119.950 0.032 0.000 2.307 156 F HA 0.202 4.735 4.527 0.009 0.000 0.301 156 F C 2.623 178.388 175.800 -0.058 0.000 1.076 156 F CA 0.651 58.609 58.000 -0.070 0.000 1.383 156 F CB -0.846 38.095 39.000 -0.097 0.000 1.055 156 F HN 0.417 nan 8.300 nan 0.000 0.526 157 G N -2.237 106.622 108.800 0.098 0.000 2.784 157 G HA2 0.103 4.069 3.960 0.010 0.000 0.208 157 G HA3 0.103 4.069 3.960 0.010 0.000 0.208 157 G C 0.855 175.282 174.900 -0.788 0.000 1.120 157 G CA 0.170 45.099 45.100 -0.284 0.000 0.774 157 G HN 0.359 nan 8.290 nan 0.000 0.528 158 F N -0.725 119.289 119.950 0.106 0.000 3.031 158 F HA 0.408 4.941 4.527 0.010 0.000 0.365 158 F C 0.407 176.262 175.800 0.091 0.000 1.128 158 F CA -0.907 57.141 58.000 0.079 0.000 1.068 158 F CB 0.359 39.413 39.000 0.089 0.000 1.280 158 F HN -0.077 nan 8.300 nan 0.000 0.529 159 L N 2.280 123.543 121.223 0.066 0.000 2.499 159 L HA 0.522 4.868 4.340 0.010 0.000 0.273 159 L C -0.061 176.783 176.870 -0.045 0.000 1.195 159 L CA 0.065 54.849 54.840 -0.093 0.000 0.882 159 L CB 0.480 42.221 42.059 -0.530 0.000 1.133 159 L HN 0.127 nan 8.230 nan 0.000 0.483 160 A N 6.203 129.034 122.820 0.018 0.000 2.422 160 A HA 0.658 4.984 4.320 0.010 0.000 0.302 160 A C -1.128 176.433 177.584 -0.037 0.000 1.041 160 A CA -0.612 51.416 52.037 -0.013 0.000 0.708 160 A CB 1.308 20.332 19.000 0.040 0.000 1.257 160 A HN 0.705 nan 8.150 nan 0.000 0.414 161 L N 3.318 124.501 121.223 -0.065 0.000 2.360 161 L HA 0.328 4.674 4.340 0.010 0.000 0.265 161 L C -2.408 174.448 176.870 -0.023 0.000 1.066 161 L CA -1.698 53.113 54.840 -0.047 0.000 0.929 161 L CB 1.184 43.201 42.059 -0.069 0.000 1.306 161 L HN 0.392 nan 8.230 nan 0.000 0.434 162 P HA 0.061 nan 4.420 nan 0.000 0.262 162 P C 0.996 178.296 177.300 0.000 0.000 1.182 162 P CA 0.849 63.950 63.100 0.001 0.000 0.761 162 P CB 1.006 32.708 31.700 0.004 0.000 0.795 163 G N 1.983 110.786 108.800 0.006 0.000 2.358 163 G HA2 -0.267 3.699 3.960 0.010 0.000 0.224 163 G HA3 -0.267 3.699 3.960 0.010 0.000 0.224 163 G C 0.611 175.513 174.900 0.004 0.000 1.073 163 G CA 0.267 45.370 45.100 0.005 0.000 0.635 163 G HN 0.812 nan 8.290 nan 0.000 0.509 164 S N 0.179 115.878 115.700 -0.002 0.000 2.598 164 S HA 0.473 4.949 4.470 0.010 0.000 0.256 164 S C 1.275 175.880 174.600 0.007 0.000 1.350 164 S CA 0.923 59.122 58.200 -0.003 0.000 0.984 164 S CB 1.481 64.672 63.200 -0.016 0.000 0.930 164 S HN 0.690 nan 8.310 nan 0.000 0.577 165 R N -0.320 120.186 120.500 0.010 0.000 2.225 165 R HA 0.154 4.500 4.340 0.010 0.000 0.194 165 R C 1.024 177.341 176.300 0.028 0.000 0.957 165 R CA 0.545 56.657 56.100 0.019 0.000 1.042 165 R CB -0.082 30.229 30.300 0.018 0.000 1.004 165 R HN 0.786 nan 8.270 nan 0.000 0.509 166 E N -0.306 119.909 120.200 0.025 0.000 2.474 166 E HA 0.192 4.548 4.350 0.010 0.000 0.194 166 E C -0.390 176.247 176.600 0.062 0.000 1.041 166 E CA 0.414 56.842 56.400 0.046 0.000 0.874 166 E CB 1.550 31.274 29.700 0.039 0.000 0.914 166 E HN 0.265 nan 8.360 nan 0.000 0.498 167 A N 1.077 123.909 122.820 0.020 0.000 3.200 167 A HA 0.259 4.585 4.320 0.010 0.000 0.274 167 A C -2.313 175.267 177.584 -0.008 0.000 1.220 167 A CA -0.796 51.239 52.037 -0.003 0.000 0.904 167 A CB 0.445 19.350 19.000 -0.158 0.000 1.415 167 A HN -0.076 nan 8.150 nan 0.000 0.630 168 P HA 0.227 nan 4.420 nan 0.000 0.241 168 P C 0.919 178.233 177.300 0.024 0.000 1.191 168 P CA 1.590 64.704 63.100 0.023 0.000 0.771 168 P CB 0.229 31.951 31.700 0.037 0.000 0.929 169 G N 1.069 109.881 108.800 0.019 0.000 2.746 169 G HA2 -0.204 3.762 3.960 0.010 0.000 0.685 169 G HA3 -0.204 3.762 3.960 0.010 0.000 0.685 169 G C -0.063 174.832 174.900 -0.009 0.000 1.350 169 G CA -0.304 44.810 45.100 0.024 0.000 0.837 169 G HN 0.139 nan 8.290 nan 0.000 0.564 170 N N -2.397 116.294 118.700 -0.016 0.000 2.713 170 N HA -0.284 4.462 4.740 0.010 0.000 0.251 170 N C 1.844 177.196 175.510 -0.264 0.000 1.117 170 N CA 2.366 55.339 53.050 -0.129 0.000 0.770 170 N CB -1.624 36.737 38.487 -0.210 0.000 1.137 170 N HN 1.925 nan 8.380 nan 0.000 0.566 171 V N -2.873 116.882 119.914 -0.266 0.000 2.759 171 V HA 0.048 4.173 4.120 0.010 0.000 0.256 171 V C 2.273 178.223 176.094 -0.240 0.000 1.080 171 V CA 2.131 64.322 62.300 -0.181 0.000 1.101 171 V CB -0.748 31.021 31.823 -0.090 0.000 0.698 171 V HN 0.266 nan 8.190 nan 0.000 0.477 172 G N 0.542 108.991 108.800 -0.584 0.000 2.422 172 G HA2 -0.140 3.826 3.960 0.010 0.000 0.218 172 G HA3 -0.140 3.826 3.960 0.010 0.000 0.218 172 G C 1.528 176.386 174.900 -0.069 0.000 1.146 172 G CA 1.129 46.015 45.100 -0.358 0.000 0.769 172 G HN 0.535 nan 8.290 nan 0.000 0.547 173 L N -0.185 120.932 121.223 -0.177 0.000 2.093 173 L HA 0.070 4.416 4.340 0.010 0.000 0.208 173 L C 2.812 179.709 176.870 0.044 0.000 1.085 173 L CA 0.404 55.119 54.840 -0.209 0.000 0.755 173 L CB -0.259 41.314 42.059 -0.810 0.000 0.904 173 L HN 0.186 nan 8.230 nan 0.000 0.435 174 L N -0.688 120.567 121.223 0.053 0.000 2.141 174 L HA -0.183 4.162 4.340 0.010 0.000 0.209 174 L C 2.171 179.163 176.870 0.203 0.000 1.094 174 L CA 0.748 55.709 54.840 0.201 0.000 0.763 174 L CB -0.600 41.552 42.059 0.155 0.000 0.908 174 L HN 0.268 nan 8.230 nan 0.000 0.437 175 D N 0.104 120.610 120.400 0.176 0.000 2.104 175 D HA -0.221 4.425 4.640 0.010 0.000 0.194 175 D C 2.253 178.738 176.300 0.309 0.000 0.994 175 D CA 1.275 55.457 54.000 0.304 0.000 0.830 175 D CB -0.207 40.775 40.800 0.304 0.000 0.959 175 D HN 0.408 nan 8.370 nan 0.000 0.452 176 Q N 0.068 119.969 119.800 0.167 0.000 2.084 176 Q HA -0.131 4.215 4.340 0.010 0.000 0.202 176 Q C 2.308 178.316 176.000 0.013 0.000 0.978 176 Q CA 1.050 56.877 55.803 0.039 0.000 0.844 176 Q CB -0.069 28.683 28.738 0.023 0.000 0.898 176 Q HN 0.203 nan 8.270 nan 0.000 0.426 177 R N 0.563 121.159 120.500 0.161 0.000 2.081 177 R HA -0.168 4.178 4.340 0.010 0.000 0.235 177 R C 2.215 178.583 176.300 0.114 0.000 1.131 177 R CA 0.971 57.146 56.100 0.126 0.000 0.960 177 R CB -0.218 30.255 30.300 0.288 0.000 0.856 177 R HN 0.222 nan 8.270 nan 0.000 0.436 178 L N 0.798 122.133 121.223 0.188 0.000 2.046 178 L HA -0.064 4.282 4.340 0.010 0.000 0.208 178 L C 2.253 179.243 176.870 0.201 0.000 1.077 178 L CA 2.178 57.168 54.840 0.249 0.000 0.747 178 L CB -0.699 41.583 42.059 0.373 0.000 0.896 178 L HN 0.254 nan 8.230 nan 0.000 0.432 179 A N -0.624 122.151 122.820 -0.075 0.000 1.969 179 A HA -0.127 4.199 4.320 0.010 0.000 0.218 179 A C 2.208 179.758 177.584 -0.057 0.000 1.169 179 A CA 1.736 53.527 52.037 -0.410 0.000 0.635 179 A CB -0.796 17.610 19.000 -0.990 0.000 0.810 179 A HN 0.523 nan 8.150 nan 0.000 0.445 180 L N -1.053 120.145 121.223 -0.042 0.000 2.046 180 L HA -0.253 4.093 4.340 0.010 0.000 0.208 180 L C 2.801 179.727 176.870 0.093 0.000 1.077 180 L CA 1.628 56.476 54.840 0.013 0.000 0.747 180 L CB -0.877 41.145 42.059 -0.062 0.000 0.896 180 L HN 0.478 nan 8.230 nan 0.000 0.432 181 Q N -0.860 119.009 119.800 0.114 0.000 2.084 181 Q HA -0.256 4.090 4.340 0.010 0.000 0.202 181 Q C 2.063 178.163 176.000 0.168 0.000 0.978 181 Q CA 1.964 57.843 55.803 0.127 0.000 0.844 181 Q CB -0.296 28.521 28.738 0.132 0.000 0.898 181 Q HN 0.530 nan 8.270 nan 0.000 0.426 182 W N 0.439 121.766 121.300 0.045 0.000 2.342 182 W HA -0.237 4.428 4.660 0.009 0.000 0.297 182 W C 1.815 178.367 176.519 0.056 0.000 1.213 182 W CA 1.349 58.733 57.345 0.067 0.000 1.251 182 W CB -0.014 29.489 29.460 0.073 0.000 1.136 182 W HN -0.128 nan 8.180 nan 0.000 0.526 183 V N 0.600 120.720 119.914 0.344 0.000 2.358 183 V HA -0.315 3.811 4.120 0.010 0.000 0.246 183 V C 2.528 178.646 176.094 0.041 0.000 1.047 183 V CA 1.918 64.357 62.300 0.231 0.000 1.035 183 V CB -0.989 30.981 31.823 0.246 0.000 0.658 183 V HN 0.162 nan 8.190 nan 0.000 0.452 184 Q N -0.014 119.814 119.800 0.047 0.000 2.077 184 Q HA -0.289 4.056 4.340 0.010 0.000 0.206 184 Q C 2.239 178.208 176.000 -0.052 0.000 0.989 184 Q CA 2.286 58.099 55.803 0.016 0.000 0.853 184 Q CB -0.325 28.430 28.738 0.028 0.000 0.907 184 Q HN 0.806 nan 8.270 nan 0.000 0.418 185 E N -0.303 119.826 120.200 -0.118 0.000 2.112 185 E HA -0.079 4.276 4.350 0.010 0.000 0.190 185 E C 1.211 177.656 176.600 -0.259 0.000 0.979 185 E CA 0.733 57.031 56.400 -0.171 0.000 0.814 185 E CB 0.295 29.890 29.700 -0.175 0.000 0.762 185 E HN 0.302 nan 8.360 nan 0.000 0.460 186 N N -0.120 118.320 118.700 -0.433 0.000 2.273 186 N HA -0.006 4.740 4.740 0.010 0.000 0.192 186 N C 1.504 176.880 175.510 -0.224 0.000 1.132 186 N CA 0.041 52.782 53.050 -0.515 0.000 0.887 186 N CB 0.340 38.112 38.487 -1.192 0.000 1.048 186 N HN 0.124 nan 8.380 nan 0.000 0.490 187 I N 2.400 122.905 120.570 -0.109 0.000 2.454 187 I HA -0.124 4.051 4.170 0.010 0.000 0.254 187 I C 2.098 178.322 176.117 0.178 0.000 1.156 187 I CA 0.603 61.990 61.300 0.146 0.000 1.433 187 I CB -0.218 37.863 38.000 0.134 0.000 1.082 187 I HN 0.048 nan 8.210 nan 0.000 0.432 188 A N 0.036 122.883 122.820 0.045 0.000 2.067 188 A HA -0.004 4.322 4.320 0.010 0.000 0.219 188 A C 2.436 180.007 177.584 -0.022 0.000 1.158 188 A CA 1.268 53.317 52.037 0.020 0.000 0.661 188 A CB -0.929 18.061 19.000 -0.017 0.000 0.801 188 A HN 0.449 nan 8.150 nan 0.000 0.452 189 A N -1.407 121.354 122.820 -0.097 0.000 2.070 189 A HA 0.100 4.425 4.320 0.010 0.000 0.220 189 A C 1.448 178.787 177.584 -0.409 0.000 1.159 189 A CA 1.087 52.943 52.037 -0.301 0.000 0.656 189 A CB -0.582 18.126 19.000 -0.487 0.000 0.800 189 A HN 0.502 nan 8.150 nan 0.000 0.453 190 F N -1.558 118.353 119.950 -0.065 0.000 2.678 190 F HA 0.395 4.927 4.527 0.010 0.000 0.305 190 F C 1.715 177.531 175.800 0.027 0.000 1.090 190 F CA 0.487 58.472 58.000 -0.025 0.000 1.272 190 F CB 0.437 39.438 39.000 0.003 0.000 1.060 190 F HN 0.307 nan 8.300 nan 0.000 0.576 191 G N 0.384 109.272 108.800 0.146 0.000 2.157 191 G HA2 -0.171 3.795 3.960 0.010 0.000 0.239 191 G HA3 -0.171 3.795 3.960 0.010 0.000 0.239 191 G C 0.587 175.558 174.900 0.119 0.000 0.982 191 G CA -0.287 44.877 45.100 0.107 0.000 0.650 191 G HN 0.706 nan 8.290 nan 0.000 0.527 192 G N -0.414 108.478 108.800 0.154 0.000 2.444 192 G HA2 0.480 4.446 3.960 0.010 0.000 0.268 192 G HA3 0.480 4.446 3.960 0.010 0.000 0.268 192 G C -0.711 174.241 174.900 0.088 0.000 1.203 192 G CA 0.293 45.472 45.100 0.131 0.000 0.835 192 G HN 0.239 nan 8.290 nan 0.000 0.543 193 D N 1.875 122.318 120.400 0.071 0.000 2.443 193 D HA 0.287 4.933 4.640 0.010 0.000 0.221 193 D C -1.167 175.170 176.300 0.061 0.000 1.097 193 D CA -2.437 51.589 54.000 0.043 0.000 0.865 193 D CB 1.878 42.686 40.800 0.014 0.000 1.034 193 D HN 0.065 nan 8.370 nan 0.000 0.511 194 P HA -0.094 nan 4.420 nan 0.000 0.228 194 P C 1.154 178.558 177.300 0.174 0.000 1.151 194 P CA 0.734 63.900 63.100 0.111 0.000 0.770 194 P CB 0.137 31.879 31.700 0.070 0.000 0.786 195 M N -1.608 118.022 119.600 0.050 0.000 2.495 195 M HA 0.092 4.578 4.480 0.010 0.000 0.237 195 M C 0.717 176.713 176.300 -0.506 0.000 1.131 195 M CA 0.563 55.790 55.300 -0.120 0.000 1.032 195 M CB 0.137 32.663 32.600 -0.124 0.000 1.513 195 M HN -0.173 nan 8.290 nan 0.000 0.488 196 S N 1.200 116.801 115.700 -0.165 0.000 2.279 196 S HA 0.428 4.904 4.470 0.010 0.000 0.176 196 S C -0.964 173.719 174.600 0.138 0.000 1.554 196 S CA -0.448 57.683 58.200 -0.115 0.000 1.242 196 S CB 0.532 63.667 63.200 -0.107 0.000 1.163 196 S HN 0.017 nan 8.310 nan 0.000 0.449 197 V N 4.147 124.313 119.914 0.420 0.000 2.378 197 V HA 0.497 4.623 4.120 0.010 0.000 0.288 197 V C -0.004 176.272 176.094 0.302 0.000 1.016 197 V CA -0.449 62.043 62.300 0.321 0.000 0.840 197 V CB 1.772 33.772 31.823 0.295 0.000 0.994 197 V HN 0.706 nan 8.190 nan 0.000 0.431 198 T N 6.680 121.364 114.554 0.217 0.000 2.771 198 T HA 0.588 4.944 4.350 0.010 0.000 0.281 198 T C -0.149 174.696 174.700 0.242 0.000 0.982 198 T CA -0.343 61.887 62.100 0.217 0.000 0.978 198 T CB 0.874 69.821 68.868 0.131 0.000 0.930 198 T HN 0.339 nan 8.240 nan 0.000 0.447 199 L N 4.889 126.223 121.223 0.185 0.000 2.349 199 L HA 0.643 4.989 4.340 0.010 0.000 0.275 199 L C -0.373 176.701 176.870 0.339 0.000 1.115 199 L CA -0.776 54.143 54.840 0.131 0.000 0.820 199 L CB 0.220 42.139 42.059 -0.233 0.000 1.135 199 L HN 0.628 nan 8.230 nan 0.000 0.445 200 F N 0.616 120.628 119.950 0.104 0.000 2.601 200 F HA 0.964 5.497 4.527 0.009 0.000 0.309 200 F C -0.289 175.495 175.800 -0.026 0.000 1.089 200 F CA -1.446 56.658 58.000 0.174 0.000 0.940 200 F CB 1.617 40.864 39.000 0.412 0.000 1.273 200 F HN 0.478 nan 8.300 nan 0.000 0.450 201 G N 1.363 110.012 108.800 -0.252 0.000 2.601 201 G HA2 0.491 4.456 3.960 0.010 0.000 0.291 201 G HA3 0.491 4.456 3.960 0.010 0.000 0.291 201 G C -2.440 172.231 174.900 -0.381 0.000 1.456 201 G CA -0.740 43.808 45.100 -0.920 0.000 0.804 201 G HN 0.886 nan 8.290 nan 0.000 0.499 205 G N 0.558 109.147 108.800 -0.352 0.000 2.402 205 G HA2 0.139 4.105 3.960 0.010 0.000 0.216 205 G HA3 0.139 4.105 3.960 0.010 0.000 0.216 205 G C 1.635 176.358 174.900 -0.295 0.000 1.162 205 G CA 1.656 46.507 45.100 -0.416 0.000 0.777 205 G HN 1.186 nan 8.290 nan 0.000 0.539 206 A N 1.191 123.911 122.820 -0.166 0.000 1.898 206 A HA 0.314 4.640 4.320 0.010 0.000 0.216 206 A C 2.811 180.372 177.584 -0.039 0.000 1.181 206 A CA 2.136 54.135 52.037 -0.063 0.000 0.620 206 A CB -0.779 18.242 19.000 0.036 0.000 0.819 206 A HN 0.751 nan 8.150 nan 0.000 0.442 207 A N -0.537 122.284 122.820 0.001 0.000 1.933 207 A HA -0.080 4.246 4.320 0.010 0.000 0.218 207 A C 2.436 180.014 177.584 -0.011 0.000 1.175 207 A CA 2.077 54.108 52.037 -0.009 0.000 0.628 207 A CB -0.862 18.151 19.000 0.021 0.000 0.814 207 A HN 0.441 nan 8.150 nan 0.000 0.444 208 S N -0.481 115.207 115.700 -0.021 0.000 2.359 208 S HA -0.145 4.331 4.470 0.010 0.000 0.224 208 S C 1.920 176.447 174.600 -0.122 0.000 1.035 208 S CA 1.447 59.587 58.200 -0.100 0.000 1.018 208 S CB -0.513 62.572 63.200 -0.191 0.000 0.876 208 S HN 0.355 nan 8.310 nan 0.000 0.448 209 V N 1.614 121.474 119.914 -0.090 0.000 2.287 209 V HA -0.195 3.931 4.120 0.010 0.000 0.248 209 V C 2.624 178.693 176.094 -0.041 0.000 1.053 209 V CA 2.058 64.314 62.300 -0.073 0.000 1.027 209 V CB -1.493 30.273 31.823 -0.094 0.000 0.646 209 V HN 0.602 nan 8.190 nan 0.000 0.447 210 G N -1.131 107.646 108.800 -0.038 0.000 2.422 210 G HA2 -0.277 3.689 3.960 0.010 0.000 0.218 210 G HA3 -0.277 3.689 3.960 0.010 0.000 0.218 210 G C 1.622 176.531 174.900 0.015 0.000 1.146 210 G CA 1.078 46.166 45.100 -0.019 0.000 0.769 210 G HN 0.447 nan 8.290 nan 0.000 0.547 211 M N -0.254 119.332 119.600 -0.023 0.000 2.254 211 M HA 0.023 4.509 4.480 0.010 0.000 0.265 211 M C 2.339 178.704 176.300 0.108 0.000 1.066 211 M CA 0.826 56.144 55.300 0.030 0.000 1.123 211 M CB -0.220 32.365 32.600 -0.025 0.000 1.388 211 M HN 0.202 nan 8.290 nan 0.000 0.425 212 H N 0.077 119.253 119.070 0.176 0.000 2.387 212 H HA -0.057 4.505 4.556 0.009 0.000 0.299 212 H C 2.128 177.655 175.328 0.331 0.000 1.090 212 H CA 1.526 57.688 56.048 0.191 0.000 1.332 212 H CB -0.455 29.288 29.762 -0.031 0.000 1.386 212 H HN 0.410 nan 8.280 nan 0.000 0.516 213 I N 0.699 121.522 120.570 0.421 0.000 2.208 213 I HA -0.260 3.916 4.170 0.010 0.000 0.245 213 I C 1.924 178.217 176.117 0.292 0.000 1.097 213 I CA 1.186 62.751 61.300 0.442 0.000 1.363 213 I CB -0.168 37.985 38.000 0.256 0.000 1.051 213 I HN 0.116 nan 8.210 nan 0.000 0.413 214 L N -0.787 120.562 121.223 0.210 0.000 2.591 214 L HA 0.084 4.429 4.340 0.010 0.000 0.228 214 L C 0.970 177.895 176.870 0.091 0.000 1.133 214 L CA 0.035 54.980 54.840 0.175 0.000 0.880 214 L CB -0.045 42.098 42.059 0.140 0.000 1.033 214 L HN 0.027 nan 8.230 nan 0.000 0.450 215 S N 0.010 115.739 115.700 0.048 0.000 2.520 215 S HA 0.219 4.695 4.470 0.010 0.000 0.324 215 S C 0.691 175.229 174.600 -0.103 0.000 1.069 215 S CA -0.631 57.483 58.200 -0.143 0.000 1.121 215 S CB 1.170 64.033 63.200 -0.561 0.000 0.971 215 S HN 0.166 nan 8.310 nan 0.000 0.463 216 L N 7.709 128.878 121.223 -0.091 0.000 2.013 216 L HA 0.067 4.413 4.340 0.010 0.000 0.212 216 L C -1.122 175.707 176.870 -0.067 0.000 1.073 216 L CA 2.266 57.069 54.840 -0.062 0.000 0.753 216 L CB -1.209 40.815 42.059 -0.058 0.000 0.890 216 L HN 0.478 nan 8.230 nan 0.000 0.432 217 P HA -0.082 nan 4.420 nan 0.000 0.221 217 P C 1.599 178.887 177.300 -0.019 0.000 1.145 217 P CA 1.349 64.410 63.100 -0.065 0.000 0.795 217 P CB -0.009 31.639 31.700 -0.085 0.000 0.775 218 S N -1.157 114.554 115.700 0.017 0.000 2.478 218 S HA 0.028 4.504 4.470 0.010 0.000 0.222 218 S C 1.816 176.515 174.600 0.165 0.000 1.008 218 S CA 0.287 58.587 58.200 0.166 0.000 0.928 218 S CB -0.302 63.128 63.200 0.382 0.000 0.781 218 S HN 0.037 nan 8.310 nan 0.000 0.518 219 R N 2.114 122.616 120.500 0.003 0.000 2.105 219 R HA -0.015 4.331 4.340 0.010 0.000 0.239 219 R C 2.302 178.366 176.300 -0.393 0.000 1.135 219 R CA 1.521 57.470 56.100 -0.251 0.000 0.967 219 R CB -1.334 28.873 30.300 -0.154 0.000 0.861 219 R HN 0.562 nan 8.270 nan 0.000 0.442 220 S N -0.153 115.427 115.700 -0.201 0.000 2.650 220 S HA 0.097 4.573 4.470 0.010 0.000 0.219 220 S C 1.636 176.131 174.600 -0.176 0.000 0.960 220 S CA 0.179 58.270 58.200 -0.183 0.000 0.925 220 S CB -0.160 62.986 63.200 -0.090 0.000 0.775 220 S HN 0.214 nan 8.310 nan 0.000 0.525 221 L N 0.205 121.348 121.223 -0.132 0.000 2.664 221 L HA 0.475 4.820 4.340 0.010 0.000 0.233 221 L C 0.072 176.951 176.870 0.015 0.000 1.113 221 L CA -0.230 54.603 54.840 -0.012 0.000 0.896 221 L CB 0.022 42.134 42.059 0.087 0.000 1.163 221 L HN 0.533 nan 8.230 nan 0.000 0.497 222 F N -4.115 115.638 119.950 -0.328 0.000 2.711 222 F HA 0.476 5.009 4.527 0.009 0.000 0.313 222 F C 0.441 175.918 175.800 -0.538 0.000 1.141 222 F CA -0.959 56.820 58.000 -0.367 0.000 0.941 222 F CB 0.850 39.781 39.000 -0.114 0.000 1.349 222 F HN -0.151 nan 8.300 nan 0.000 0.464 223 H N -0.534 118.598 119.070 0.103 0.000 3.091 223 H HA 0.447 5.008 4.556 0.009 0.000 0.249 223 H C -0.124 175.237 175.328 0.055 0.000 0.985 223 H CA -0.013 56.019 56.048 -0.026 0.000 1.177 223 H CB 0.968 30.714 29.762 -0.027 0.000 1.456 223 H HN 0.441 nan 8.280 nan 0.000 0.467 224 R N 0.194 120.881 120.500 0.312 0.000 2.774 224 R HA 0.708 5.053 4.340 0.010 0.000 0.272 224 R C -1.430 175.119 176.300 0.414 0.000 1.000 224 R CA -0.692 55.561 56.100 0.255 0.000 0.906 224 R CB 2.877 33.123 30.300 -0.090 0.000 1.227 224 R HN 0.134 nan 8.270 nan 0.000 0.468 225 A N 1.357 124.448 122.820 0.451 0.000 2.408 225 A HA 0.598 4.923 4.320 0.010 0.000 0.295 225 A C -1.309 176.431 177.584 0.259 0.000 1.040 225 A CA -0.596 51.635 52.037 0.323 0.000 0.707 225 A CB 1.594 20.752 19.000 0.263 0.000 1.235 225 A HN 0.318 nan 8.150 nan 0.000 0.418 226 V N 2.796 122.827 119.914 0.195 0.000 2.417 226 V HA 0.536 4.662 4.120 0.010 0.000 0.291 226 V C -0.904 175.275 176.094 0.142 0.000 1.024 226 V CA -0.407 61.938 62.300 0.075 0.000 0.861 226 V CB 1.170 33.049 31.823 0.094 0.000 0.985 226 V HN 0.689 nan 8.190 nan 0.000 0.436 227 L N 5.240 126.519 121.223 0.093 0.000 2.342 227 L HA 0.509 4.855 4.340 0.010 0.000 0.276 227 L C -0.042 176.924 176.870 0.159 0.000 0.997 227 L CA -0.030 54.866 54.840 0.093 0.000 0.838 227 L CB 1.587 43.657 42.059 0.019 0.000 1.224 227 L HN 0.633 nan 8.230 nan 0.000 0.416 228 Q N 2.130 122.071 119.800 0.236 0.000 2.368 228 Q HA 0.471 4.817 4.340 0.010 0.000 0.256 228 Q C 0.018 176.138 176.000 0.201 0.000 0.980 228 Q CA -0.522 55.477 55.803 0.326 0.000 0.887 228 Q CB 1.223 30.247 28.738 0.475 0.000 1.221 228 Q HN 0.635 nan 8.270 nan 0.000 0.458 229 S N 0.881 116.680 115.700 0.165 0.000 3.706 229 S HA -0.145 4.331 4.470 0.010 0.000 0.363 229 S C 0.081 174.840 174.600 0.266 0.000 0.999 229 S CA 0.452 58.771 58.200 0.198 0.000 1.143 229 S CB -1.356 61.975 63.200 0.218 0.000 0.902 229 S HN 1.031 nan 8.310 nan 0.000 0.476 230 G N -0.508 108.412 108.800 0.201 0.000 2.411 230 G HA2 0.676 4.642 3.960 0.010 0.000 0.295 230 G HA3 0.676 4.642 3.960 0.010 0.000 0.295 230 G C -0.939 174.027 174.900 0.110 0.000 1.542 230 G CA 0.233 45.503 45.100 0.283 0.000 0.814 230 G HN 1.185 nan 8.290 nan 0.000 0.557 231 T N -1.604 112.967 114.554 0.029 0.000 2.885 231 T HA 0.720 5.076 4.350 0.010 0.000 0.322 231 T C -2.459 172.110 174.700 -0.219 0.000 1.387 231 T CA -1.117 60.926 62.100 -0.096 0.000 1.041 231 T CB 2.988 71.789 68.868 -0.112 0.000 1.287 231 T HN 0.336 nan 8.240 nan 0.000 0.491 232 P HA 0.013 nan 4.420 nan 0.000 0.225 232 P C 0.166 177.317 177.300 -0.248 0.000 1.156 232 P CA 0.496 63.477 63.100 -0.199 0.000 0.787 232 P CB 0.001 31.637 31.700 -0.107 0.000 0.802 233 N N 0.598 119.169 118.700 -0.215 0.000 2.408 233 N HA 0.353 5.099 4.740 0.010 0.000 0.260 233 N C 0.698 176.021 175.510 -0.313 0.000 1.242 233 N CA 0.418 53.342 53.050 -0.210 0.000 0.959 233 N CB 0.679 39.087 38.487 -0.132 0.000 1.201 233 N HN 0.171 nan 8.380 nan 0.000 0.511 234 G N -0.482 108.149 108.800 -0.282 0.000 2.462 234 G HA2 -0.098 3.868 3.960 0.010 0.000 0.685 234 G HA3 -0.098 3.868 3.960 0.010 0.000 0.685 234 G C -2.444 172.231 174.900 -0.374 0.000 1.295 234 G CA -0.292 44.601 45.100 -0.346 0.000 0.941 234 G HN 0.523 nan 8.290 nan 0.000 0.554 235 P HA 0.166 nan 4.420 nan 0.000 0.245 235 P C 1.441 178.682 177.300 -0.097 0.000 1.206 235 P CA 1.714 64.690 63.100 -0.208 0.000 0.781 235 P CB -0.041 31.509 31.700 -0.250 0.000 0.994 236 W N -1.426 119.796 121.300 -0.131 0.000 2.904 236 W HA 0.524 5.189 4.660 0.008 0.000 0.265 236 W C 1.192 177.790 176.519 0.132 0.000 1.138 236 W CA 0.478 57.826 57.345 0.006 0.000 1.455 236 W CB -0.925 28.591 29.460 0.092 0.000 0.924 236 W HN -0.172 nan 8.180 nan 0.000 0.619 237 A N 2.001 124.403 122.820 -0.696 0.000 2.067 237 A HA 0.050 4.376 4.320 0.010 0.000 0.219 237 A C 1.219 178.646 177.584 -0.261 0.000 1.158 237 A CA 1.993 53.694 52.037 -0.561 0.000 0.661 237 A CB -0.953 17.481 19.000 -0.943 0.000 0.801 237 A HN 0.297 nan 8.150 nan 0.000 0.452 238 T N -3.338 111.079 114.554 -0.228 0.000 2.883 238 T HA 0.616 4.972 4.350 0.010 0.000 0.296 238 T C -0.640 173.989 174.700 -0.119 0.000 1.117 238 T CA -0.145 61.843 62.100 -0.188 0.000 1.006 238 T CB 1.509 70.275 68.868 -0.171 0.000 1.191 238 T HN 0.882 nan 8.240 nan 0.000 0.508 239 V N -1.000 118.852 119.914 -0.102 0.000 2.914 239 V HA 0.882 5.008 4.120 0.010 0.000 0.314 239 V C 0.360 176.420 176.094 -0.056 0.000 1.084 239 V CA -0.866 61.391 62.300 -0.071 0.000 0.963 239 V CB 1.304 33.087 31.823 -0.068 0.000 1.025 239 V HN 1.369 nan 8.190 nan 0.000 0.432 240 S N 2.186 117.859 115.700 -0.045 0.000 2.580 240 S HA 0.473 4.949 4.470 0.010 0.000 0.266 240 S C 1.447 176.032 174.600 -0.025 0.000 1.354 240 S CA 0.166 58.346 58.200 -0.033 0.000 1.008 240 S CB 1.051 64.234 63.200 -0.029 0.000 0.898 240 S HN 1.974 nan 8.310 nan 0.000 0.555 241 A N 2.371 125.181 122.820 -0.016 0.000 1.908 241 A HA 0.100 4.426 4.320 0.010 0.000 0.218 241 A C 2.248 179.825 177.584 -0.012 0.000 1.181 241 A CA 1.787 53.819 52.037 -0.009 0.000 0.627 241 A CB -1.872 17.126 19.000 -0.004 0.000 0.818 241 A HN 1.170 nan 8.150 nan 0.000 0.445 242 G N -0.355 108.436 108.800 -0.015 0.000 2.459 242 G HA2 -0.286 3.679 3.960 0.010 0.000 0.217 242 G HA3 -0.286 3.679 3.960 0.010 0.000 0.217 242 G C 1.469 176.356 174.900 -0.020 0.000 1.183 242 G CA 1.421 46.511 45.100 -0.016 0.000 0.776 242 G HN 0.589 nan 8.290 nan 0.000 0.552 243 E N 0.946 121.130 120.200 -0.027 0.000 2.150 243 E HA 0.079 4.435 4.350 0.010 0.000 0.193 243 E C 2.578 179.152 176.600 -0.043 0.000 0.985 243 E CA 1.391 57.768 56.400 -0.038 0.000 0.814 243 E CB -0.500 29.172 29.700 -0.046 0.000 0.752 243 E HN 0.304 nan 8.360 nan 0.000 0.466 244 A N 0.632 123.436 122.820 -0.027 0.000 1.930 244 A HA -0.115 4.211 4.320 0.010 0.000 0.217 244 A C 2.261 179.854 177.584 0.015 0.000 1.175 244 A CA 1.503 53.539 52.037 -0.003 0.000 0.627 244 A CB -0.527 18.485 19.000 0.019 0.000 0.815 244 A HN 0.255 nan 8.150 nan 0.000 0.443 245 R N -0.522 119.978 120.500 -0.000 0.000 2.073 245 R HA -0.112 4.234 4.340 0.010 0.000 0.234 245 R C 2.461 178.759 176.300 -0.004 0.000 1.134 245 R CA 1.521 57.619 56.100 -0.004 0.000 0.952 245 R CB -0.319 29.975 30.300 -0.011 0.000 0.850 245 R HN 0.494 nan 8.270 nan 0.000 0.433 246 R N 0.431 120.924 120.500 -0.012 0.000 2.080 246 R HA -0.159 4.187 4.340 0.010 0.000 0.236 246 R C 2.255 178.549 176.300 -0.010 0.000 1.137 246 R CA 2.042 58.133 56.100 -0.014 0.000 0.943 246 R CB -0.126 30.160 30.300 -0.023 0.000 0.846 246 R HN 0.272 nan 8.270 nan 0.000 0.431 247 R N -0.477 120.006 120.500 -0.028 0.000 2.092 247 R HA -0.043 4.302 4.340 0.010 0.000 0.231 247 R C 2.283 178.649 176.300 0.110 0.000 1.119 247 R CA 1.176 57.250 56.100 -0.043 0.000 0.970 247 R CB -0.229 29.924 30.300 -0.246 0.000 0.864 247 R HN 0.250 nan 8.270 nan 0.000 0.440 248 A N 0.439 123.344 122.820 0.143 0.000 1.930 248 A HA -0.165 4.161 4.320 0.010 0.000 0.217 248 A C 2.251 179.852 177.584 0.028 0.000 1.175 248 A CA 1.951 54.069 52.037 0.135 0.000 0.627 248 A CB -0.756 18.267 19.000 0.038 0.000 0.815 248 A HN 0.398 nan 8.150 nan 0.000 0.443 249 T N -1.368 113.191 114.554 0.009 0.000 2.857 249 T HA -0.090 4.266 4.350 0.010 0.000 0.266 249 T C 1.810 176.511 174.700 0.002 0.000 1.048 249 T CA 1.492 63.585 62.100 -0.011 0.000 1.139 249 T CB -0.378 68.479 68.868 -0.017 0.000 0.874 249 T HN 0.217 nan 8.240 nan 0.000 0.455 250 L N 0.876 122.112 121.223 0.021 0.000 2.046 250 L HA 0.185 4.531 4.340 0.010 0.000 0.208 250 L C 2.288 179.186 176.870 0.046 0.000 1.077 250 L CA 1.751 56.608 54.840 0.029 0.000 0.747 250 L CB -1.161 40.917 42.059 0.032 0.000 0.896 250 L HN 0.429 nan 8.230 nan 0.000 0.432 251 L N -0.237 121.038 121.223 0.086 0.000 2.046 251 L HA -0.082 4.264 4.340 0.010 0.000 0.208 251 L C 2.518 179.391 176.870 0.006 0.000 1.077 251 L CA 1.983 56.882 54.840 0.099 0.000 0.747 251 L CB -0.910 41.268 42.059 0.198 0.000 0.896 251 L HN 0.276 nan 8.230 nan 0.000 0.432 252 A N 0.018 122.826 122.820 -0.020 0.000 1.869 252 A HA -0.294 4.032 4.320 0.010 0.000 0.218 252 A C 2.385 179.942 177.584 -0.045 0.000 1.203 252 A CA 2.269 54.278 52.037 -0.047 0.000 0.638 252 A CB -0.776 18.190 19.000 -0.057 0.000 0.831 252 A HN 0.527 nan 8.150 nan 0.000 0.450 253 R N -0.694 119.787 120.500 -0.031 0.000 2.136 253 R HA -0.204 4.142 4.340 0.010 0.000 0.242 253 R C 2.123 178.387 176.300 -0.060 0.000 1.131 253 R CA 1.889 57.969 56.100 -0.033 0.000 0.937 253 R CB -0.930 29.360 30.300 -0.017 0.000 0.863 253 R HN 0.589 nan 8.270 nan 0.000 0.435 254 L N 0.894 122.071 121.223 -0.077 0.000 2.261 254 L HA -0.132 4.213 4.340 0.010 0.000 0.216 254 L C 2.142 178.801 176.870 -0.352 0.000 1.114 254 L CA 0.888 55.621 54.840 -0.178 0.000 0.777 254 L CB -0.349 41.631 42.059 -0.132 0.000 0.910 254 L HN 0.189 nan 8.230 nan 0.000 0.440 255 V N -4.204 115.569 119.914 -0.235 0.000 3.483 255 V HA 0.531 4.657 4.120 0.010 0.000 0.301 255 V C 0.962 177.011 176.094 -0.076 0.000 1.389 255 V CA 0.146 62.339 62.300 -0.178 0.000 1.101 255 V CB -0.087 31.675 31.823 -0.100 0.000 0.971 255 V HN 0.385 nan 8.190 nan 0.000 0.434 256 G N -0.385 108.376 108.800 -0.065 0.000 2.467 256 G HA2 -0.151 3.815 3.960 0.010 0.000 0.242 256 G HA3 -0.151 3.815 3.960 0.010 0.000 0.242 256 G C -0.258 174.628 174.900 -0.023 0.000 1.127 256 G CA -0.134 44.946 45.100 -0.034 0.000 0.924 256 G HN 0.755 nan 8.290 nan 0.000 0.499 266 D N 1.404 121.792 120.400 -0.020 0.000 2.097 266 D HA -0.098 4.548 4.640 0.010 0.000 0.195 266 D C 1.491 177.774 176.300 -0.028 0.000 0.989 266 D CA 1.832 55.814 54.000 -0.030 0.000 0.827 266 D CB -0.013 40.769 40.800 -0.029 0.000 0.966 266 D HN 0.596 nan 8.370 nan 0.000 0.456 267 T N 0.737 115.282 114.554 -0.015 0.000 2.649 267 T HA -0.253 4.103 4.350 0.010 0.000 0.268 267 T C 1.801 176.498 174.700 -0.004 0.000 1.036 267 T CA 1.816 63.913 62.100 -0.006 0.000 1.157 267 T CB -0.292 68.577 68.868 0.001 0.000 0.861 267 T HN 0.315 nan 8.240 nan 0.000 0.445 268 E N 0.245 120.441 120.200 -0.007 0.000 2.107 268 E HA -0.037 4.319 4.350 0.010 0.000 0.191 268 E C 2.239 178.833 176.600 -0.010 0.000 0.982 268 E CA 0.534 56.931 56.400 -0.004 0.000 0.809 268 E CB -0.181 29.516 29.700 -0.005 0.000 0.756 268 E HN 0.451 nan 8.360 nan 0.000 0.459 269 L N 0.596 121.805 121.223 -0.024 0.000 2.017 269 L HA -0.186 4.159 4.340 0.010 0.000 0.208 269 L C 2.262 179.102 176.870 -0.050 0.000 1.073 269 L CA 1.306 56.122 54.840 -0.039 0.000 0.745 269 L CB -0.151 41.875 42.059 -0.054 0.000 0.894 269 L HN 0.199 nan 8.230 nan 0.000 0.432 270 I N -0.083 120.452 120.570 -0.058 0.000 2.226 270 I HA -0.272 3.904 4.170 0.010 0.000 0.245 270 I C 2.729 178.872 176.117 0.043 0.000 1.100 270 I CA 1.198 62.464 61.300 -0.057 0.000 1.374 270 I CB -0.571 37.398 38.000 -0.052 0.000 1.057 270 I HN 0.322 nan 8.210 nan 0.000 0.413 271 A N -0.422 122.419 122.820 0.035 0.000 1.978 271 A HA -0.297 4.029 4.320 0.010 0.000 0.220 271 A C 2.514 180.127 177.584 0.048 0.000 1.170 271 A CA 1.991 54.058 52.037 0.049 0.000 0.636 271 A CB -1.335 17.682 19.000 0.029 0.000 0.810 271 A HN 0.644 nan 8.150 nan 0.000 0.448 272 c N -0.666 117.952 118.600 0.030 0.000 2.462 272 c HA 0.015 4.591 4.570 0.010 0.000 0.278 272 c C 2.548 176.667 174.090 0.048 0.000 1.253 272 c CA 1.070 57.415 56.329 0.027 0.000 1.713 272 c CB -1.543 40.971 42.510 0.007 0.000 2.049 272 c HN 0.597 nan 8.230 nan 0.000 0.477 273 L N 0.509 121.764 121.223 0.055 0.000 2.129 273 L HA -0.183 4.162 4.340 0.010 0.000 0.212 273 L C 2.903 179.908 176.870 0.226 0.000 1.087 273 L CA 1.691 56.602 54.840 0.117 0.000 0.757 273 L CB -0.583 41.503 42.059 0.045 0.000 0.896 273 L HN 0.412 nan 8.230 nan 0.000 0.434 274 R N -0.871 119.759 120.500 0.217 0.000 2.280 274 R HA -0.079 4.266 4.340 0.010 0.000 0.207 274 R C 2.113 178.451 176.300 0.063 0.000 1.043 274 R CA 1.453 57.638 56.100 0.141 0.000 1.006 274 R CB -0.252 30.120 30.300 0.119 0.000 0.885 274 R HN 0.508 nan 8.270 nan 0.000 0.467 275 T N -1.805 112.785 114.554 0.059 0.000 3.081 275 T HA 0.119 4.475 4.350 0.010 0.000 0.255 275 T C 0.949 175.668 174.700 0.032 0.000 1.113 275 T CA -0.156 61.965 62.100 0.035 0.000 1.082 275 T CB 0.202 69.087 68.868 0.029 0.000 0.939 275 T HN -0.135 nan 8.240 nan 0.000 0.506 276 R N 2.811 123.339 120.500 0.046 0.000 2.490 276 R HA 0.390 4.736 4.340 0.010 0.000 0.280 276 R C -2.693 173.626 176.300 0.033 0.000 1.077 276 R CA -2.393 53.733 56.100 0.044 0.000 1.065 276 R CB -0.219 30.114 30.300 0.054 0.000 1.003 276 R HN 0.275 nan 8.270 nan 0.000 0.470 277 P HA 0.078 nan 4.420 nan 0.000 0.271 277 P C 0.270 177.556 177.300 -0.023 0.000 1.218 277 P CA -0.031 63.063 63.100 -0.011 0.000 0.780 277 P CB 0.624 32.324 31.700 0.001 0.000 0.901 278 A N 2.488 125.220 122.820 -0.146 0.000 1.903 278 A HA -0.315 4.011 4.320 0.010 0.000 0.219 278 A C 2.192 179.709 177.584 -0.112 0.000 1.191 278 A CA 2.233 54.141 52.037 -0.215 0.000 0.638 278 A CB -1.433 16.900 19.000 -1.112 0.000 0.823 278 A HN 0.557 nan 8.150 nan 0.000 0.451 279 Q N -0.195 119.511 119.800 -0.157 0.000 2.170 279 Q HA -0.167 4.179 4.340 0.010 0.000 0.203 279 Q C 1.353 177.460 176.000 0.178 0.000 0.976 279 Q CA 2.029 57.912 55.803 0.133 0.000 0.858 279 Q CB -0.363 28.485 28.738 0.184 0.000 0.907 279 Q HN 0.664 nan 8.270 nan 0.000 0.433 280 D N -0.488 119.997 120.400 0.142 0.000 2.117 280 D HA -0.140 4.505 4.640 0.010 0.000 0.197 280 D C 1.766 178.214 176.300 0.247 0.000 0.987 280 D CA 1.040 55.161 54.000 0.203 0.000 0.829 280 D CB -0.159 40.739 40.800 0.163 0.000 0.961 280 D HN 0.308 nan 8.370 nan 0.000 0.460 281 L N 0.165 121.483 121.223 0.158 0.000 2.046 281 L HA -0.136 4.209 4.340 0.010 0.000 0.208 281 L C 2.516 179.465 176.870 0.130 0.000 1.077 281 L CA 0.649 55.536 54.840 0.079 0.000 0.747 281 L CB -0.587 41.391 42.059 -0.134 0.000 0.896 281 L HN -0.037 nan 8.230 nan 0.000 0.432 282 V N 0.008 120.063 119.914 0.236 0.000 2.287 282 V HA -0.301 3.825 4.120 0.010 0.000 0.248 282 V C 2.038 178.287 176.094 0.259 0.000 1.053 282 V CA 1.985 64.477 62.300 0.320 0.000 1.027 282 V CB -0.594 31.525 31.823 0.493 0.000 0.646 282 V HN 0.431 nan 8.190 nan 0.000 0.447 283 D N -0.914 119.606 120.400 0.199 0.000 2.311 283 D HA -0.149 4.497 4.640 0.010 0.000 0.212 283 D C 1.680 177.833 176.300 -0.245 0.000 0.972 283 D CA 1.396 55.411 54.000 0.026 0.000 0.887 283 D CB -0.203 40.578 40.800 -0.032 0.000 0.915 283 D HN 0.661 nan 8.370 nan 0.000 0.497 284 H N -1.214 117.897 119.070 0.067 0.000 2.893 284 H HA 0.194 4.756 4.556 0.010 0.000 0.270 284 H C 1.486 176.791 175.328 -0.040 0.000 1.095 284 H CA -0.186 55.877 56.048 0.024 0.000 1.186 284 H CB 0.619 30.495 29.762 0.189 0.000 1.562 284 H HN 0.029 nan 8.280 nan 0.000 0.536 285 E N 0.532 120.755 120.200 0.039 0.000 2.108 285 E HA -0.244 4.112 4.350 0.010 0.000 0.203 285 E C 0.630 177.081 176.600 -0.248 0.000 1.022 285 E CA 1.650 58.023 56.400 -0.046 0.000 0.823 285 E CB -0.033 29.540 29.700 -0.212 0.000 0.744 285 E HN 0.599 nan 8.360 nan 0.000 0.456 286 W N -0.608 120.586 121.300 -0.177 0.000 2.905 286 W HA -0.003 4.663 4.660 0.009 0.000 0.251 286 W C 1.710 178.190 176.519 -0.065 0.000 1.305 286 W CA -0.006 57.218 57.345 -0.201 0.000 1.465 286 W CB 0.226 29.495 29.460 -0.319 0.000 1.122 286 W HN 0.183 nan 8.180 nan 0.000 0.659 287 H N -0.344 118.842 119.070 0.194 0.000 2.556 287 H HA 0.026 4.588 4.556 0.010 0.000 0.268 287 H C 1.991 177.372 175.328 0.088 0.000 0.996 287 H CA 1.028 57.167 56.048 0.151 0.000 1.157 287 H CB -0.595 29.281 29.762 0.190 0.000 1.355 287 H HN 0.241 nan 8.280 nan 0.000 0.597 288 V N -2.223 117.770 119.914 0.132 0.000 3.578 288 V HA 0.237 4.363 4.120 0.010 0.000 0.290 288 V C 0.696 176.769 176.094 -0.036 0.000 1.376 288 V CA -0.147 62.171 62.300 0.030 0.000 1.083 288 V CB -0.373 31.433 31.823 -0.029 0.000 0.911 288 V HN -0.028 nan 8.190 nan 0.000 0.433 289 L N 2.385 123.603 121.223 -0.008 0.000 2.416 289 L HA 0.319 4.665 4.340 0.010 0.000 0.272 289 L C -0.386 176.481 176.870 -0.004 0.000 1.161 289 L CA -1.198 53.626 54.840 -0.026 0.000 0.845 289 L CB 0.906 42.973 42.059 0.012 0.000 1.119 289 L HN 0.115 nan 8.230 nan 0.000 0.464 290 P HA -0.115 nan 4.420 nan 0.000 0.218 290 P C -0.238 177.063 177.300 0.002 0.000 1.149 290 P CA 1.212 64.306 63.100 -0.010 0.000 0.817 290 P CB 0.359 32.047 31.700 -0.019 0.000 0.785 291 Q N -1.337 118.466 119.800 0.005 0.000 2.484 291 Q HA 0.341 4.687 4.340 0.010 0.000 0.285 291 Q C -0.549 175.460 176.000 0.016 0.000 1.097 291 Q CA -0.804 55.005 55.803 0.010 0.000 0.802 291 Q CB 1.203 29.945 28.738 0.006 0.000 1.444 291 Q HN -0.035 nan 8.270 nan 0.000 0.429 292 E N 1.012 121.222 120.200 0.018 0.000 2.480 292 E HA 0.255 4.610 4.350 0.010 0.000 0.258 292 E C -0.977 175.628 176.600 0.010 0.000 0.984 292 E CA 0.189 56.599 56.400 0.018 0.000 0.930 292 E CB 0.306 30.016 29.700 0.017 0.000 0.936 292 E HN 0.587 nan 8.360 nan 0.000 0.466 293 S N 3.699 119.402 115.700 0.005 0.000 2.565 293 S HA 0.595 5.070 4.470 0.010 0.000 0.269 293 S C -0.555 174.033 174.600 -0.020 0.000 1.153 293 S CA -1.047 57.148 58.200 -0.008 0.000 0.835 293 S CB 0.739 63.928 63.200 -0.019 0.000 1.122 293 S HN 0.535 nan 8.310 nan 0.000 0.462 294 I N -2.183 118.374 120.570 -0.021 0.000 2.846 294 I HA 0.815 4.991 4.170 0.010 0.000 0.307 294 I C -0.160 175.913 176.117 -0.073 0.000 1.053 294 I CA -1.166 60.123 61.300 -0.019 0.000 1.050 294 I CB 1.147 39.186 38.000 0.065 0.000 1.239 294 I HN 0.801 nan 8.210 nan 0.000 0.439 295 F N 1.804 121.517 119.950 -0.395 0.000 3.091 295 F HA -0.186 4.347 4.527 0.010 0.000 0.288 295 F C -0.302 174.916 175.800 -0.969 0.000 0.907 295 F CA 0.661 58.184 58.000 -0.795 0.000 1.028 295 F CB -0.618 37.895 39.000 -0.812 0.000 1.022 295 F HN 0.593 nan 8.300 nan 0.000 0.665 296 R N 0.351 120.354 120.500 -0.828 0.000 2.686 296 R HA 0.680 5.026 4.340 0.010 0.000 0.283 296 R C -1.064 174.792 176.300 -0.740 0.000 0.978 296 R CA -0.589 55.112 56.100 -0.664 0.000 0.897 296 R CB 1.486 31.661 30.300 -0.208 0.000 1.192 296 R HN 0.006 nan 8.270 nan 0.000 0.457 297 F N -0.848 119.195 119.950 0.156 0.000 2.565 297 F HA 0.345 4.877 4.527 0.009 0.000 0.313 297 F C 1.422 177.142 175.800 -0.134 0.000 1.091 297 F CA -0.799 57.225 58.000 0.040 0.000 0.915 297 F CB 1.982 41.119 39.000 0.228 0.000 1.208 297 F HN 0.345 nan 8.300 nan 0.000 0.453 298 S N 0.850 116.409 115.700 -0.235 0.000 2.368 298 S HA 0.010 4.485 4.470 0.010 0.000 0.224 298 S C -0.035 174.121 174.600 -0.739 0.000 1.029 298 S CA 1.192 59.065 58.200 -0.546 0.000 0.988 298 S CB -0.187 62.577 63.200 -0.727 0.000 0.838 298 S HN 0.365 nan 8.310 nan 0.000 0.462 299 F N 1.370 121.314 119.950 -0.009 0.000 2.430 299 F HA 0.523 5.056 4.527 0.010 0.000 0.362 299 F C -0.046 175.745 175.800 -0.016 0.000 1.103 299 F CA -1.011 57.014 58.000 0.041 0.000 1.045 299 F CB 1.259 40.315 39.000 0.094 0.000 1.276 299 F HN -0.116 nan 8.300 nan 0.000 0.444 300 V N 0.542 120.419 119.914 -0.061 0.000 3.155 300 V HA 0.778 4.904 4.120 0.010 0.000 0.313 300 V C -2.845 172.900 176.094 -0.583 0.000 1.162 300 V CA -3.403 58.563 62.300 -0.556 0.000 1.048 300 V CB 1.934 33.621 31.823 -0.226 0.000 1.092 300 V HN 0.251 nan 8.190 nan 0.000 0.447 301 P HA 0.129 nan 4.420 nan 0.000 0.263 301 P C -0.667 176.509 177.300 -0.207 0.000 1.175 301 P CA 0.494 63.336 63.100 -0.429 0.000 0.761 301 P CB 0.511 31.878 31.700 -0.555 0.000 0.794 302 V N 5.097 124.962 119.914 -0.082 0.000 2.547 302 V HA 0.202 4.327 4.120 0.010 0.000 0.299 302 V C -0.214 175.864 176.094 -0.027 0.000 1.040 302 V CA -0.856 61.419 62.300 -0.043 0.000 0.913 302 V CB 1.970 33.796 31.823 0.005 0.000 0.992 302 V HN 0.142 nan 8.190 nan 0.000 0.449 303 V N 7.501 127.400 119.914 -0.026 0.000 2.359 303 V HA 0.137 4.263 4.120 0.010 0.000 0.248 303 V C 0.828 176.929 176.094 0.012 0.000 1.091 303 V CA 0.402 62.700 62.300 -0.004 0.000 1.103 303 V CB 0.044 31.858 31.823 -0.016 0.000 1.176 303 V HN 1.071 nan 8.190 nan 0.000 0.488 304 D N 2.627 123.048 120.400 0.036 0.000 2.367 304 D HA 0.115 4.761 4.640 0.010 0.000 0.207 304 D C 1.531 177.853 176.300 0.037 0.000 1.034 304 D CA 0.713 54.736 54.000 0.039 0.000 0.861 304 D CB 0.257 41.092 40.800 0.059 0.000 0.943 304 D HN 0.677 nan 8.370 nan 0.000 0.515 305 G N 0.690 109.513 108.800 0.039 0.000 2.147 305 G HA2 -0.291 3.675 3.960 0.010 0.000 0.244 305 G HA3 -0.291 3.675 3.960 0.010 0.000 0.244 305 G C 0.207 175.129 174.900 0.037 0.000 1.005 305 G CA 0.720 45.838 45.100 0.030 0.000 0.713 305 G HN 0.563 nan 8.290 nan 0.000 0.515 306 D N -1.877 118.560 120.400 0.062 0.000 2.880 306 D HA 0.210 4.856 4.640 0.010 0.000 0.168 306 D C 1.626 177.977 176.300 0.085 0.000 1.452 306 D CA 0.394 54.434 54.000 0.066 0.000 1.553 306 D CB -0.716 40.132 40.800 0.080 0.000 1.386 306 D HN 0.068 nan 8.370 nan 0.000 0.208 307 F N 1.364 121.323 119.950 0.014 0.000 2.065 307 F HA 0.145 4.678 4.527 0.009 0.000 0.298 307 F C 0.683 176.486 175.800 0.005 0.000 1.112 307 F CA 1.330 59.339 58.000 0.015 0.000 1.212 307 F CB 0.084 39.090 39.000 0.011 0.000 0.975 307 F HN 0.011 nan 8.300 nan 0.000 0.476 308 L N 0.801 122.195 121.223 0.285 0.000 2.277 308 L HA 0.184 4.530 4.340 0.010 0.000 0.284 308 L C 1.359 178.274 176.870 0.076 0.000 1.028 308 L CA -0.159 54.776 54.840 0.159 0.000 0.835 308 L CB 1.311 43.448 42.059 0.131 0.000 1.215 308 L HN 0.104 nan 8.230 nan 0.000 0.425 309 S N 0.504 116.229 115.700 0.042 0.000 2.453 309 S HA -0.005 4.471 4.470 0.010 0.000 0.231 309 S C 0.457 175.067 174.600 0.017 0.000 1.005 309 S CA 0.433 58.646 58.200 0.022 0.000 0.949 309 S CB 0.162 63.364 63.200 0.004 0.000 0.774 309 S HN 0.713 nan 8.310 nan 0.000 0.510 310 D N 0.115 120.526 120.400 0.020 0.000 2.768 310 D HA 0.275 4.921 4.640 0.010 0.000 0.327 310 D C -0.929 175.375 176.300 0.008 0.000 1.302 310 D CA 0.035 54.041 54.000 0.010 0.000 0.897 310 D CB 1.322 42.126 40.800 0.006 0.000 1.420 310 D HN 0.204 nan 8.370 nan 0.000 0.494 311 T N -0.712 113.840 114.554 -0.004 0.000 2.940 311 T HA 0.250 4.606 4.350 0.010 0.000 0.309 311 T C -1.796 172.898 174.700 -0.010 0.000 1.056 311 T CA -0.654 61.436 62.100 -0.017 0.000 1.137 311 T CB 1.101 69.952 68.868 -0.027 0.000 0.976 311 T HN 0.091 nan 8.240 nan 0.000 0.547 312 P HA -0.154 nan 4.420 nan 0.000 0.216 312 P C 1.547 178.841 177.300 -0.010 0.000 1.154 312 P CA 1.146 64.233 63.100 -0.021 0.000 0.865 312 P CB 0.055 31.713 31.700 -0.070 0.000 0.789 313 E N -0.503 119.679 120.200 -0.029 0.000 2.070 313 E HA -0.270 4.086 4.350 0.010 0.000 0.197 313 E C 1.887 178.493 176.600 0.010 0.000 1.004 313 E CA 1.677 58.068 56.400 -0.016 0.000 0.805 313 E CB -0.478 29.206 29.700 -0.027 0.000 0.744 313 E HN 0.107 nan 8.360 nan 0.000 0.451 314 A N 0.752 123.577 122.820 0.008 0.000 1.930 314 A HA -0.104 4.221 4.320 0.010 0.000 0.217 314 A C 2.224 179.830 177.584 0.035 0.000 1.175 314 A CA 0.944 52.991 52.037 0.016 0.000 0.627 314 A CB -0.482 18.521 19.000 0.005 0.000 0.815 314 A HN 0.267 nan 8.150 nan 0.000 0.443 315 L N -0.183 121.070 121.223 0.050 0.000 2.156 315 L HA -0.092 4.254 4.340 0.010 0.000 0.208 315 L C 2.515 179.493 176.870 0.180 0.000 1.095 315 L CA 1.354 56.246 54.840 0.086 0.000 0.770 315 L CB -0.579 41.535 42.059 0.092 0.000 0.914 315 L HN 0.660 nan 8.230 nan 0.000 0.439 316 I N -3.335 117.343 120.570 0.180 0.000 2.617 316 I HA -0.072 4.104 4.170 0.010 0.000 0.256 316 I C 2.067 178.328 176.117 0.241 0.000 1.167 316 I CA 1.018 62.483 61.300 0.276 0.000 1.469 316 I CB -0.405 37.658 38.000 0.105 0.000 1.098 316 I HN 0.100 nan 8.210 nan 0.000 0.436 317 N N 1.500 120.275 118.700 0.124 0.000 2.142 317 N HA -0.141 4.605 4.740 0.010 0.000 0.186 317 N C 1.956 177.507 175.510 0.067 0.000 1.023 317 N CA 2.367 55.468 53.050 0.086 0.000 0.852 317 N CB -0.421 38.094 38.487 0.046 0.000 0.998 317 N HN 0.684 nan 8.380 nan 0.000 0.424 318 T N -3.368 111.210 114.554 0.039 0.000 3.010 318 T HA 0.309 4.665 4.350 0.010 0.000 0.257 318 T C 0.905 175.545 174.700 -0.101 0.000 1.020 318 T CA -0.303 61.787 62.100 -0.018 0.000 0.938 318 T CB 0.004 68.860 68.868 -0.020 0.000 1.049 318 T HN 0.061 nan 8.240 nan 0.000 0.522 319 G N 0.930 109.628 108.800 -0.170 0.000 2.539 319 G HA2 0.414 4.380 3.960 0.010 0.000 0.258 319 G HA3 0.414 4.380 3.960 0.010 0.000 0.258 319 G C -1.082 173.343 174.900 -0.792 0.000 1.202 319 G CA -0.508 44.269 45.100 -0.538 0.000 0.851 319 G HN 0.372 nan 8.290 nan 0.000 0.556 320 D N -0.099 119.858 120.400 -0.739 0.000 2.359 320 D HA 0.361 5.007 4.640 0.010 0.000 0.230 320 D C -0.473 175.462 176.300 -0.609 0.000 1.118 320 D CA -0.557 53.140 54.000 -0.505 0.000 0.844 320 D CB 0.395 41.044 40.800 -0.251 0.000 1.059 320 D HN 0.084 nan 8.370 nan 0.000 0.493 321 F N 2.878 122.837 119.950 0.015 0.000 2.963 321 F HA 0.239 4.772 4.527 0.009 0.000 0.321 321 F C 1.748 177.560 175.800 0.020 0.000 1.234 321 F CA -0.562 57.451 58.000 0.022 0.000 1.296 321 F CB 0.100 39.122 39.000 0.036 0.000 0.981 321 F HN 0.377 nan 8.300 nan 0.000 0.507 322 Q N 1.152 121.007 119.800 0.091 0.000 1.978 322 Q HA -0.213 4.133 4.340 0.010 0.000 0.211 322 Q C 0.647 176.692 176.000 0.076 0.000 1.013 322 Q CA 2.248 58.087 55.803 0.059 0.000 0.869 322 Q CB -0.010 28.737 28.738 0.014 0.000 0.953 322 Q HN 0.247 nan 8.270 nan 0.000 0.415 323 D N -0.205 120.236 120.400 0.068 0.000 2.895 323 D HA 0.161 4.807 4.640 0.010 0.000 0.258 323 D C -1.010 175.334 176.300 0.073 0.000 1.311 323 D CA -0.131 53.903 54.000 0.057 0.000 0.843 323 D CB 0.122 40.938 40.800 0.028 0.000 1.055 323 D HN 0.112 nan 8.370 nan 0.000 0.486 324 L N 1.226 122.519 121.223 0.115 0.000 2.296 324 L HA 0.300 4.645 4.340 0.010 0.000 0.286 324 L C -0.681 176.274 176.870 0.141 0.000 1.023 324 L CA -0.312 54.606 54.840 0.131 0.000 0.812 324 L CB 1.494 43.655 42.059 0.171 0.000 1.223 324 L HN -0.172 nan 8.230 nan 0.000 0.421 325 Q N 3.731 123.629 119.800 0.163 0.000 2.316 325 Q HA 0.718 5.064 4.340 0.010 0.000 0.264 325 Q C -1.298 174.968 176.000 0.444 0.000 0.987 325 Q CA -0.433 55.526 55.803 0.260 0.000 0.852 325 Q CB 2.732 31.581 28.738 0.184 0.000 1.287 325 Q HN 0.485 nan 8.270 nan 0.000 0.448 326 V N 3.464 123.619 119.914 0.403 0.000 2.760 326 V HA 0.599 4.725 4.120 0.010 0.000 0.309 326 V C -1.969 174.088 176.094 -0.062 0.000 1.077 326 V CA -0.902 61.530 62.300 0.220 0.000 0.910 326 V CB 2.088 33.960 31.823 0.081 0.000 1.008 326 V HN 0.693 nan 8.190 nan 0.000 0.424 327 L N 8.289 129.268 121.223 -0.408 0.000 2.333 327 L HA 0.904 5.249 4.340 0.010 0.000 0.280 327 L C -0.762 175.990 176.870 -0.197 0.000 1.004 327 L CA -0.185 54.330 54.840 -0.541 0.000 0.820 327 L CB 1.734 43.015 42.059 -1.296 0.000 1.247 327 L HN 0.653 nan 8.230 nan 0.000 0.416 328 V N 2.131 121.997 119.914 -0.079 0.000 2.876 328 V HA 1.125 5.251 4.120 0.010 0.000 0.312 328 V C -0.220 175.668 176.094 -0.343 0.000 1.085 328 V CA 0.279 62.513 62.300 -0.110 0.000 0.945 328 V CB 1.162 32.897 31.823 -0.146 0.000 1.017 328 V HN 1.093 nan 8.190 nan 0.000 0.428 329 G N 1.361 109.796 108.800 -0.608 0.000 2.550 329 G HA2 0.807 4.773 3.960 0.010 0.000 0.293 329 G HA3 0.807 4.773 3.960 0.010 0.000 0.293 329 G C -1.181 173.386 174.900 -0.554 0.000 1.402 329 G CA 0.003 44.347 45.100 -1.260 0.000 0.784 329 G HN 2.065 nan 8.290 nan 0.000 0.482 330 V N -2.283 117.444 119.914 -0.312 0.000 3.159 330 V HA 0.908 5.034 4.120 0.010 0.000 0.308 330 V C 0.349 176.610 176.094 0.278 0.000 1.190 330 V CA -0.441 61.890 62.300 0.051 0.000 1.037 330 V CB 1.079 32.916 31.823 0.022 0.000 1.060 330 V HN 1.802 nan 8.190 nan 0.000 0.437 331 V N -0.075 120.028 119.914 0.315 0.000 3.134 331 V HA 0.550 4.676 4.120 0.010 0.000 0.313 331 V C 1.409 177.685 176.094 0.303 0.000 1.069 331 V CA 0.131 62.672 62.300 0.401 0.000 1.048 331 V CB 1.163 33.210 31.823 0.374 0.000 1.119 331 V HN 1.081 nan 8.190 nan 0.000 0.461 332 K N -0.334 120.242 120.400 0.294 0.000 2.097 332 K HA -0.045 4.281 4.320 0.010 0.000 0.205 332 K C 0.340 177.058 176.600 0.197 0.000 1.050 332 K CA 1.759 58.175 56.287 0.215 0.000 0.938 332 K CB 0.070 32.675 32.500 0.175 0.000 0.718 332 K HN 0.902 nan 8.250 nan 0.000 0.442 333 D N 1.142 121.668 120.400 0.209 0.000 2.517 333 D HA 0.034 4.679 4.640 0.010 0.000 0.301 333 D C 0.122 176.558 176.300 0.226 0.000 1.202 333 D CA -0.072 54.045 54.000 0.195 0.000 0.910 333 D CB 1.383 42.282 40.800 0.164 0.000 1.021 333 D HN 0.130 nan 8.370 nan 0.000 0.499 334 E N 0.656 120.999 120.200 0.239 0.000 2.118 334 E HA -0.123 4.232 4.350 0.010 0.000 0.195 334 E C 1.949 178.767 176.600 0.363 0.000 0.992 334 E CA 0.793 57.376 56.400 0.305 0.000 0.804 334 E CB 0.152 29.992 29.700 0.233 0.000 0.741 334 E HN 0.448 nan 8.360 nan 0.000 0.458 335 G N 0.953 109.920 108.800 0.278 0.000 2.603 335 G HA2 -0.163 3.803 3.960 0.010 0.000 0.214 335 G HA3 -0.163 3.803 3.960 0.010 0.000 0.214 335 G C 1.714 176.825 174.900 0.352 0.000 1.140 335 G CA 0.827 46.120 45.100 0.322 0.000 0.800 335 G HN 0.360 nan 8.290 nan 0.000 0.533 336 S N 0.262 116.110 115.700 0.246 0.000 2.365 336 S HA -0.296 4.180 4.470 0.010 0.000 0.225 336 S C 2.115 176.754 174.600 0.063 0.000 1.039 336 S CA 1.488 59.795 58.200 0.178 0.000 1.033 336 S CB -0.846 62.396 63.200 0.070 0.000 0.887 336 S HN 0.408 nan 8.310 nan 0.000 0.447 337 Y N 1.885 122.053 120.300 -0.219 0.000 2.102 337 Y HA -0.206 4.350 4.550 0.010 0.000 0.280 337 Y C 1.881 177.593 175.900 -0.313 0.000 1.178 337 Y CA 2.038 59.837 58.100 -0.501 0.000 1.146 337 Y CB -0.652 37.337 38.460 -0.785 0.000 0.968 337 Y HN 0.310 nan 8.280 nan 0.000 0.504 338 F N -0.799 119.240 119.950 0.148 0.000 2.407 338 F HA -0.130 4.403 4.527 0.009 0.000 0.299 338 F C 1.993 177.843 175.800 0.083 0.000 1.097 338 F CA 0.682 58.744 58.000 0.104 0.000 1.422 338 F CB -0.476 38.540 39.000 0.027 0.000 1.067 338 F HN 0.019 nan 8.300 nan 0.000 0.539 339 L N -0.024 121.287 121.223 0.148 0.000 2.141 339 L HA -0.131 4.215 4.340 0.010 0.000 0.209 339 L C 2.319 179.234 176.870 0.075 0.000 1.094 339 L CA 0.974 55.783 54.840 -0.052 0.000 0.763 339 L CB -0.831 40.978 42.059 -0.416 0.000 0.908 339 L HN 0.186 nan 8.230 nan 0.000 0.437 340 V N -5.117 114.880 119.914 0.139 0.000 3.573 340 V HA -0.125 4.000 4.120 0.010 0.000 0.270 340 V C 1.178 177.202 176.094 -0.117 0.000 1.221 340 V CA 0.614 62.977 62.300 0.106 0.000 1.163 340 V CB -1.077 30.836 31.823 0.149 0.000 0.847 340 V HN 0.286 nan 8.190 nan 0.000 0.468 341 Y N 1.877 122.179 120.300 0.003 0.000 2.645 341 Y HA 0.662 5.217 4.550 0.009 0.000 0.307 341 Y C 1.585 177.458 175.900 -0.045 0.000 1.151 341 Y CA 0.258 58.330 58.100 -0.047 0.000 1.291 341 Y CB 0.530 38.946 38.460 -0.073 0.000 1.135 341 Y HN 0.419 nan 8.280 nan 0.000 0.523 342 G N -0.869 107.978 108.800 0.078 0.000 2.789 342 G HA2 -0.099 3.867 3.960 0.010 0.000 0.218 342 G HA3 -0.099 3.867 3.960 0.010 0.000 0.218 342 G C -0.905 174.036 174.900 0.068 0.000 0.980 342 G CA -0.583 44.548 45.100 0.052 0.000 0.848 342 G HN -0.001 nan 8.290 nan 0.000 0.591 343 V N 2.272 122.248 119.914 0.104 0.000 2.350 343 V HA 0.461 4.587 4.120 0.010 0.000 0.276 343 V C -1.868 174.375 176.094 0.247 0.000 1.028 343 V CA -1.752 60.640 62.300 0.153 0.000 0.860 343 V CB 1.464 33.350 31.823 0.105 0.000 0.990 343 V HN 0.113 nan 8.190 nan 0.000 0.453 344 P HA 0.353 nan 4.420 nan 0.000 0.268 344 P C 0.986 178.350 177.300 0.106 0.000 1.205 344 P CA 0.952 64.118 63.100 0.110 0.000 0.771 344 P CB 0.955 32.690 31.700 0.058 0.000 0.858 345 G N 1.080 109.882 108.800 0.003 0.000 2.339 345 G HA2 -0.194 3.772 3.960 0.010 0.000 0.209 345 G HA3 -0.194 3.772 3.960 0.010 0.000 0.209 345 G C -0.232 174.456 174.900 -0.352 0.000 1.015 345 G CA -0.572 44.404 45.100 -0.206 0.000 0.635 345 G HN 0.406 nan 8.290 nan 0.000 0.499 346 F N 1.754 121.689 119.950 -0.026 0.000 2.404 346 F HA 0.801 5.334 4.527 0.009 0.000 0.339 346 F C 0.656 176.511 175.800 0.093 0.000 1.105 346 F CA 0.065 58.060 58.000 -0.008 0.000 1.087 346 F CB 2.184 41.219 39.000 0.057 0.000 1.143 346 F HN 0.189 nan 8.300 nan 0.000 0.491 347 S N 1.266 117.171 115.700 0.343 0.000 2.565 347 S HA 0.272 4.748 4.470 0.010 0.000 0.269 347 S C 0.238 175.113 174.600 0.459 0.000 1.153 347 S CA -0.862 57.543 58.200 0.341 0.000 0.835 347 S CB 1.414 64.721 63.200 0.177 0.000 1.122 347 S HN 0.758 nan 8.310 nan 0.000 0.462 348 K N 0.903 121.451 120.400 0.246 0.000 2.366 348 K HA 0.129 4.455 4.320 0.010 0.000 0.198 348 K C 0.079 176.672 176.600 -0.011 0.000 1.044 348 K CA 1.075 57.395 56.287 0.055 0.000 0.973 348 K CB -0.097 32.115 32.500 -0.481 0.000 0.767 348 K HN 0.430 nan 8.250 nan 0.000 0.475 349 D N 0.970 121.363 120.400 -0.011 0.000 2.354 349 D HA -0.001 4.644 4.640 0.010 0.000 0.209 349 D C -0.151 176.166 176.300 0.029 0.000 1.015 349 D CA 0.379 54.352 54.000 -0.045 0.000 0.867 349 D CB 0.097 40.858 40.800 -0.065 0.000 0.933 349 D HN 0.489 nan 8.370 nan 0.000 0.520 350 N N -0.922 117.834 118.700 0.093 0.000 2.831 350 N HA 0.091 4.837 4.740 0.010 0.000 0.276 350 N C 0.461 176.017 175.510 0.077 0.000 1.416 350 N CA -0.500 52.583 53.050 0.055 0.000 0.799 350 N CB 0.880 39.357 38.487 -0.017 0.000 1.554 350 N HN -0.454 nan 8.380 nan 0.000 0.541 351 E N -0.336 119.841 120.200 -0.039 0.000 2.409 351 E HA -0.034 4.322 4.350 0.010 0.000 0.198 351 E C -0.288 175.957 176.600 -0.591 0.000 1.024 351 E CA 0.763 57.067 56.400 -0.161 0.000 0.861 351 E CB -0.807 28.829 29.700 -0.106 0.000 0.788 351 E HN 0.614 nan 8.360 nan 0.000 0.521 352 S N -0.139 115.245 115.700 -0.527 0.000 3.521 352 S HA -0.214 4.262 4.470 0.010 0.000 0.362 352 S C 0.392 174.557 174.600 -0.726 0.000 1.044 352 S CA 0.207 57.969 58.200 -0.730 0.000 1.091 352 S CB -2.078 60.498 63.200 -1.041 0.000 0.908 352 S HN 0.290 nan 8.310 nan 0.000 0.473 353 L N 1.403 122.354 121.223 -0.454 0.000 2.462 353 L HA 0.420 4.766 4.340 0.010 0.000 0.272 353 L C 0.711 177.376 176.870 -0.343 0.000 1.166 353 L CA 0.011 54.647 54.840 -0.340 0.000 0.880 353 L CB 0.122 42.054 42.059 -0.211 0.000 1.142 353 L HN 0.452 nan 8.230 nan 0.000 0.473 354 I N -0.130 120.249 120.570 -0.318 0.000 2.957 354 I HA 0.661 4.837 4.170 0.010 0.000 0.310 354 I C 0.345 176.384 176.117 -0.130 0.000 1.063 354 I CA -0.688 60.455 61.300 -0.263 0.000 1.033 354 I CB 2.027 39.832 38.000 -0.325 0.000 1.230 354 I HN 0.548 nan 8.210 nan 0.000 0.447 355 S N 1.875 117.529 115.700 -0.077 0.000 2.669 355 S HA 0.413 4.889 4.470 0.010 0.000 0.270 355 S C 0.911 175.531 174.600 0.033 0.000 1.225 355 S CA -0.481 57.702 58.200 -0.028 0.000 0.991 355 S CB 1.576 64.765 63.200 -0.018 0.000 0.987 355 S HN 0.870 nan 8.310 nan 0.000 0.552 356 R N 0.487 121.010 120.500 0.039 0.000 2.081 356 R HA -0.077 4.269 4.340 0.010 0.000 0.235 356 R C 2.320 178.716 176.300 0.160 0.000 1.131 356 R CA 1.651 57.811 56.100 0.101 0.000 0.960 356 R CB -1.147 29.188 30.300 0.058 0.000 0.856 356 R HN 0.828 nan 8.270 nan 0.000 0.436 357 A N 0.632 123.508 122.820 0.094 0.000 1.865 357 A HA -0.241 4.085 4.320 0.010 0.000 0.217 357 A C 2.078 179.713 177.584 0.085 0.000 1.191 357 A CA 1.714 53.798 52.037 0.079 0.000 0.623 357 A CB -0.646 18.381 19.000 0.046 0.000 0.826 357 A HN 0.537 nan 8.150 nan 0.000 0.444 358 Q N -1.829 118.018 119.800 0.079 0.000 2.181 358 Q HA -0.180 4.166 4.340 0.010 0.000 0.205 358 Q C 1.902 177.998 176.000 0.160 0.000 0.980 358 Q CA 1.609 57.464 55.803 0.085 0.000 0.862 358 Q CB -0.340 28.416 28.738 0.029 0.000 0.905 358 Q HN 0.790 nan 8.270 nan 0.000 0.429 359 F N 1.206 121.182 119.950 0.043 0.000 2.102 359 F HA -0.207 4.326 4.527 0.009 0.000 0.298 359 F C 1.796 177.632 175.800 0.059 0.000 1.105 359 F CA 1.182 59.220 58.000 0.064 0.000 1.239 359 F CB -0.011 39.009 39.000 0.033 0.000 0.991 359 F HN -0.047 nan 8.300 nan 0.000 0.474 360 L N 0.126 121.328 121.223 -0.035 0.000 2.083 360 L HA -0.213 4.133 4.340 0.010 0.000 0.209 360 L C 2.827 179.636 176.870 -0.101 0.000 1.083 360 L CA 1.127 55.896 54.840 -0.118 0.000 0.752 360 L CB -1.385 40.689 42.059 0.026 0.000 0.899 360 L HN 0.295 nan 8.230 nan 0.000 0.433 361 A N 0.509 123.310 122.820 -0.031 0.000 1.898 361 A HA -0.093 4.233 4.320 0.010 0.000 0.216 361 A C 2.423 179.990 177.584 -0.028 0.000 1.181 361 A CA 1.648 53.678 52.037 -0.012 0.000 0.620 361 A CB -1.136 17.878 19.000 0.023 0.000 0.819 361 A HN 0.430 nan 8.150 nan 0.000 0.442 362 G N -0.633 108.149 108.800 -0.029 0.000 2.422 362 G HA2 -0.088 3.878 3.960 0.010 0.000 0.218 362 G HA3 -0.088 3.878 3.960 0.010 0.000 0.218 362 G C 1.477 176.307 174.900 -0.117 0.000 1.146 362 G CA 1.145 46.228 45.100 -0.028 0.000 0.769 362 G HN 0.304 nan 8.290 nan 0.000 0.547 363 V N 0.941 120.710 119.914 -0.241 0.000 2.407 363 V HA -0.145 3.981 4.120 0.010 0.000 0.248 363 V C 2.999 179.029 176.094 -0.106 0.000 1.055 363 V CA 1.641 63.803 62.300 -0.231 0.000 1.049 363 V CB -0.374 31.238 31.823 -0.351 0.000 0.662 363 V HN 0.218 nan 8.190 nan 0.000 0.455 364 R N -0.082 120.370 120.500 -0.079 0.000 2.092 364 R HA 0.024 4.370 4.340 0.010 0.000 0.231 364 R C 2.071 178.358 176.300 -0.021 0.000 1.119 364 R CA 1.414 57.493 56.100 -0.035 0.000 0.970 364 R CB -0.838 29.449 30.300 -0.021 0.000 0.864 364 R HN 0.474 nan 8.270 nan 0.000 0.440 365 I N -0.377 120.179 120.570 -0.022 0.000 2.353 365 I HA -0.090 4.086 4.170 0.010 0.000 0.248 365 I C 2.250 178.361 176.117 -0.010 0.000 1.119 365 I CA 1.461 62.755 61.300 -0.009 0.000 1.417 365 I CB -0.506 37.495 38.000 0.002 0.000 1.078 365 I HN 0.201 nan 8.210 nan 0.000 0.421 366 G N 0.310 109.095 108.800 -0.025 0.000 2.511 366 G HA2 -0.002 3.964 3.960 0.010 0.000 0.217 366 G HA3 -0.002 3.964 3.960 0.010 0.000 0.217 366 G C 0.847 175.754 174.900 0.012 0.000 1.133 366 G CA 0.283 45.372 45.100 -0.018 0.000 0.792 366 G HN 0.239 nan 8.290 nan 0.000 0.539 367 V N 2.090 121.999 119.914 -0.010 0.000 2.326 367 V HA 0.217 4.342 4.120 0.010 0.000 0.254 367 V C -1.458 174.644 176.094 0.013 0.000 1.022 367 V CA -1.100 61.187 62.300 -0.021 0.000 1.074 367 V CB 1.358 33.145 31.823 -0.061 0.000 1.305 367 V HN 0.073 nan 8.190 nan 0.000 0.506 368 P HA -0.111 nan 4.420 nan 0.000 0.222 368 P C 1.039 178.352 177.300 0.020 0.000 1.147 368 P CA 0.965 64.077 63.100 0.019 0.000 0.790 368 P CB 0.535 32.243 31.700 0.014 0.000 0.780 369 Q N -0.552 119.270 119.800 0.037 0.000 2.403 369 Q HA 0.270 4.616 4.340 0.010 0.000 0.203 369 Q C 0.718 176.728 176.000 0.016 0.000 0.932 369 Q CA -0.072 55.748 55.803 0.028 0.000 0.945 369 Q CB -0.320 28.444 28.738 0.044 0.000 1.045 369 Q HN 0.161 nan 8.270 nan 0.000 0.511 370 A N 0.674 123.501 122.820 0.012 0.000 2.409 370 A HA 0.471 4.797 4.320 0.010 0.000 0.262 370 A C 0.481 178.066 177.584 0.002 0.000 1.113 370 A CA -0.350 51.689 52.037 0.003 0.000 0.790 370 A CB 0.275 19.279 19.000 0.007 0.000 1.046 370 A HN 0.347 nan 8.150 nan 0.000 0.496 371 S N 1.807 117.505 115.700 -0.004 0.000 2.617 371 S HA 0.068 4.543 4.470 0.010 0.000 0.255 371 S C 0.448 175.054 174.600 0.011 0.000 1.318 371 S CA 0.514 58.714 58.200 0.000 0.000 0.978 371 S CB 0.240 63.436 63.200 -0.007 0.000 0.961 371 S HN 0.622 nan 8.310 nan 0.000 0.582 372 D N -0.007 120.402 120.400 0.015 0.000 2.117 372 D HA -0.039 4.606 4.640 0.010 0.000 0.198 372 D C 1.778 178.102 176.300 0.039 0.000 0.982 372 D CA 0.902 54.917 54.000 0.025 0.000 0.828 372 D CB -0.503 40.311 40.800 0.024 0.000 0.967 372 D HN 0.392 nan 8.370 nan 0.000 0.464 373 L N 0.873 122.118 121.223 0.038 0.000 2.017 373 L HA -0.071 4.275 4.340 0.010 0.000 0.208 373 L C 2.063 178.981 176.870 0.079 0.000 1.073 373 L CA 1.859 56.733 54.840 0.057 0.000 0.745 373 L CB -0.960 41.127 42.059 0.046 0.000 0.894 373 L HN 0.000 nan 8.230 nan 0.000 0.432 374 A N -0.608 122.241 122.820 0.049 0.000 1.933 374 A HA -0.117 4.209 4.320 0.010 0.000 0.218 374 A C 2.441 180.079 177.584 0.089 0.000 1.175 374 A CA 1.916 53.984 52.037 0.052 0.000 0.628 374 A CB -1.150 17.841 19.000 -0.015 0.000 0.814 374 A HN 0.588 nan 8.150 nan 0.000 0.444 375 A N -0.543 122.314 122.820 0.063 0.000 1.873 375 A HA -0.133 4.193 4.320 0.010 0.000 0.215 375 A C 1.998 179.635 177.584 0.089 0.000 1.186 375 A CA 2.074 54.145 52.037 0.058 0.000 0.616 375 A CB -0.467 18.547 19.000 0.024 0.000 0.823 375 A HN 0.447 nan 8.150 nan 0.000 0.442 376 E N 0.376 120.636 120.200 0.100 0.000 2.110 376 E HA -0.071 4.284 4.350 0.010 0.000 0.193 376 E C 2.063 178.766 176.600 0.171 0.000 0.988 376 E CA 1.412 57.890 56.400 0.130 0.000 0.804 376 E CB -0.557 29.211 29.700 0.113 0.000 0.745 376 E HN 0.464 nan 8.360 nan 0.000 0.458 377 A N 0.063 123.000 122.820 0.194 0.000 1.883 377 A HA -0.178 4.148 4.320 0.010 0.000 0.217 377 A C 2.552 180.244 177.584 0.180 0.000 1.186 377 A CA 1.834 54.021 52.037 0.250 0.000 0.624 377 A CB -0.926 18.331 19.000 0.429 0.000 0.822 377 A HN 0.181 nan 8.150 nan 0.000 0.444 378 V N -0.390 119.664 119.914 0.234 0.000 2.287 378 V HA -0.265 3.861 4.120 0.010 0.000 0.248 378 V C 2.574 178.837 176.094 0.281 0.000 1.053 378 V CA 2.134 64.547 62.300 0.189 0.000 1.027 378 V CB -0.834 31.105 31.823 0.193 0.000 0.646 378 V HN 0.382 nan 8.190 nan 0.000 0.447 379 V N -0.412 119.641 119.914 0.231 0.000 2.343 379 V HA -0.238 3.888 4.120 0.010 0.000 0.247 379 V C 2.263 178.585 176.094 0.381 0.000 1.051 379 V CA 1.922 64.417 62.300 0.326 0.000 1.036 379 V CB -0.482 31.483 31.823 0.237 0.000 0.654 379 V HN 0.443 nan 8.190 nan 0.000 0.451 380 L N -0.697 120.729 121.223 0.338 0.000 2.017 380 L HA -0.208 4.138 4.340 0.010 0.000 0.208 380 L C 2.573 179.644 176.870 0.335 0.000 1.073 380 L CA 2.081 57.185 54.840 0.440 0.000 0.745 380 L CB -0.796 41.438 42.059 0.291 0.000 0.894 380 L HN 0.416 nan 8.230 nan 0.000 0.432 381 H N -1.108 117.960 119.070 -0.004 0.000 2.387 381 H HA -0.201 4.360 4.556 0.008 0.000 0.299 381 H C 1.793 177.021 175.328 -0.168 0.000 1.090 381 H CA 1.938 57.841 56.048 -0.243 0.000 1.332 381 H CB 0.081 29.361 29.762 -0.803 0.000 1.386 381 H HN 0.275 nan 8.280 nan 0.000 0.516 382 Y N -0.464 119.902 120.300 0.110 0.000 2.510 382 Y HA 0.133 4.690 4.550 0.011 0.000 0.273 382 Y C 0.930 176.861 175.900 0.052 0.000 1.119 382 Y CA 0.380 58.567 58.100 0.146 0.000 1.286 382 Y CB 0.229 38.895 38.460 0.343 0.000 1.061 382 Y HN 0.006 nan 8.280 nan 0.000 0.542 383 T N 1.660 116.231 114.554 0.028 0.000 2.928 383 T HA -0.057 4.299 4.350 0.010 0.000 0.305 383 T C -0.291 174.114 174.700 -0.492 0.000 1.035 383 T CA -0.059 61.796 62.100 -0.409 0.000 1.145 383 T CB 0.166 68.375 68.868 -1.098 0.000 0.963 383 T HN 0.105 nan 8.240 nan 0.000 0.545 384 D N 2.096 122.201 120.400 -0.491 0.000 2.365 384 D HA 0.121 4.766 4.640 0.010 0.000 0.237 384 D C 0.077 176.117 176.300 -0.433 0.000 1.190 384 D CA -0.738 52.953 54.000 -0.515 0.000 0.867 384 D CB 0.322 40.602 40.800 -0.866 0.000 1.050 384 D HN 0.595 nan 8.370 nan 0.000 0.491 385 W N 2.997 124.222 121.300 -0.125 0.000 2.699 385 W HA 0.047 4.712 4.660 0.008 0.000 0.249 385 W C 1.651 178.080 176.519 -0.150 0.000 1.280 385 W CA -0.300 56.981 57.345 -0.106 0.000 1.345 385 W CB -0.066 29.343 29.460 -0.084 0.000 1.128 385 W HN 0.419 nan 8.180 nan 0.000 0.642 386 L N -1.145 120.035 121.223 -0.071 0.000 2.156 386 L HA -0.107 4.238 4.340 0.010 0.000 0.208 386 L C 0.363 176.892 176.870 -0.569 0.000 1.095 386 L CA 1.556 56.199 54.840 -0.328 0.000 0.770 386 L CB -0.702 41.091 42.059 -0.443 0.000 0.914 386 L HN 0.014 nan 8.230 nan 0.000 0.439 387 H N -2.078 116.912 119.070 -0.134 0.000 2.511 387 H HA 0.196 4.758 4.556 0.009 0.000 0.228 387 H C -1.853 173.356 175.328 -0.198 0.000 1.424 387 H CA -1.354 54.610 56.048 -0.141 0.000 1.321 387 H CB 0.029 29.703 29.762 -0.147 0.000 1.720 387 H HN -0.049 nan 8.280 nan 0.000 0.512 388 P HA -0.129 nan 4.420 nan 0.000 0.228 388 P C 0.571 177.773 177.300 -0.163 0.000 1.151 388 P CA 1.113 64.055 63.100 -0.263 0.000 0.770 388 P CB 0.691 32.241 31.700 -0.251 0.000 0.786 389 E N -0.495 119.663 120.200 -0.070 0.000 2.562 389 E HA 0.049 4.405 4.350 0.010 0.000 0.214 389 E C -0.117 176.461 176.600 -0.036 0.000 0.979 389 E CA -0.115 56.257 56.400 -0.046 0.000 1.002 389 E CB 0.165 29.856 29.700 -0.016 0.000 1.048 389 E HN 0.307 nan 8.360 nan 0.000 0.488 390 D N 2.095 122.482 120.400 -0.022 0.000 2.401 390 D HA 0.011 4.657 4.640 0.010 0.000 0.254 390 D C -1.624 174.650 176.300 -0.043 0.000 1.192 390 D CA -1.554 52.433 54.000 -0.022 0.000 0.885 390 D CB 1.495 42.282 40.800 -0.021 0.000 1.147 390 D HN -0.187 nan 8.370 nan 0.000 0.478 391 P HA -0.092 nan 4.420 nan 0.000 0.219 391 P C 1.095 178.333 177.300 -0.103 0.000 1.150 391 P CA 0.874 63.917 63.100 -0.096 0.000 0.814 391 P CB 0.215 31.853 31.700 -0.104 0.000 0.787 392 T N -1.608 112.904 114.554 -0.070 0.000 2.777 392 T HA -0.186 4.170 4.350 0.010 0.000 0.266 392 T C 1.752 176.435 174.700 -0.027 0.000 1.040 392 T CA 1.647 63.715 62.100 -0.052 0.000 1.141 392 T CB -1.005 67.846 68.868 -0.029 0.000 0.868 392 T HN 0.263 nan 8.240 nan 0.000 0.444 393 H N 0.979 119.991 119.070 -0.098 0.000 2.353 393 H HA 0.093 4.654 4.556 0.009 0.000 0.300 393 H C 1.996 177.244 175.328 -0.133 0.000 1.090 393 H CA 1.287 57.275 56.048 -0.100 0.000 1.327 393 H CB -0.516 29.168 29.762 -0.130 0.000 1.383 393 H HN 0.236 nan 8.280 nan 0.000 0.508 394 L N 0.051 121.109 121.223 -0.275 0.000 2.083 394 L HA -0.154 4.192 4.340 0.010 0.000 0.209 394 L C 2.905 179.683 176.870 -0.153 0.000 1.083 394 L CA 1.358 55.952 54.840 -0.411 0.000 0.752 394 L CB -0.470 41.412 42.059 -0.294 0.000 0.899 394 L HN 0.293 nan 8.230 nan 0.000 0.433 395 R N 0.597 121.052 120.500 -0.075 0.000 2.080 395 R HA -0.192 4.154 4.340 0.010 0.000 0.236 395 R C 1.590 177.980 176.300 0.150 0.000 1.137 395 R CA 2.191 58.333 56.100 0.070 0.000 0.943 395 R CB -0.397 29.828 30.300 -0.125 0.000 0.846 395 R HN 0.350 nan 8.270 nan 0.000 0.431 396 D N 0.144 120.560 120.400 0.027 0.000 2.269 396 D HA -0.043 4.603 4.640 0.010 0.000 0.208 396 D C 1.613 177.925 176.300 0.019 0.000 0.963 396 D CA 1.139 55.180 54.000 0.069 0.000 0.864 396 D CB -0.068 40.766 40.800 0.057 0.000 0.936 396 D HN 0.368 nan 8.370 nan 0.000 0.505 397 A N 0.526 123.255 122.820 -0.151 0.000 1.968 397 A HA -0.088 4.238 4.320 0.010 0.000 0.217 397 A C 2.096 179.782 177.584 0.169 0.000 1.169 397 A CA 0.968 52.979 52.037 -0.044 0.000 0.638 397 A CB -0.321 18.477 19.000 -0.337 0.000 0.812 397 A HN 0.119 nan 8.150 nan 0.000 0.446 398 M N -0.060 119.691 119.600 0.253 0.000 2.132 398 M HA -0.069 4.417 4.480 0.010 0.000 0.263 398 M C 2.289 178.614 176.300 0.043 0.000 1.065 398 M CA 2.048 57.483 55.300 0.225 0.000 1.122 398 M CB -0.528 32.258 32.600 0.310 0.000 1.365 398 M HN 0.405 nan 8.290 nan 0.000 0.411 399 S N -0.158 115.594 115.700 0.086 0.000 2.348 399 S HA -0.109 4.366 4.470 0.010 0.000 0.221 399 S C 2.098 176.756 174.600 0.097 0.000 1.033 399 S CA 1.657 59.922 58.200 0.110 0.000 1.010 399 S CB -0.691 62.641 63.200 0.221 0.000 0.891 399 S HN 0.615 nan 8.310 nan 0.000 0.442 400 A N 0.881 123.775 122.820 0.123 0.000 1.940 400 A HA -0.006 4.320 4.320 0.010 0.000 0.219 400 A C 2.388 180.003 177.584 0.052 0.000 1.176 400 A CA 1.821 53.961 52.037 0.171 0.000 0.631 400 A CB -1.158 18.044 19.000 0.336 0.000 0.814 400 A HN 0.475 nan 8.150 nan 0.000 0.446 401 V N -0.444 119.348 119.914 -0.203 0.000 2.255 401 V HA -0.262 3.864 4.120 0.010 0.000 0.247 401 V C 2.598 178.566 176.094 -0.210 0.000 1.051 401 V CA 2.199 64.275 62.300 -0.373 0.000 1.018 401 V CB -0.780 30.812 31.823 -0.385 0.000 0.641 401 V HN 0.389 nan 8.190 nan 0.000 0.445 402 V N 0.642 120.473 119.914 -0.139 0.000 2.343 402 V HA -0.173 3.953 4.120 0.010 0.000 0.247 402 V C 2.596 178.557 176.094 -0.221 0.000 1.051 402 V CA 2.193 64.405 62.300 -0.147 0.000 1.036 402 V CB -1.370 30.427 31.823 -0.042 0.000 0.654 402 V HN 0.626 nan 8.190 nan 0.000 0.451 403 G N -0.443 108.301 108.800 -0.093 0.000 2.402 403 G HA2 -0.223 3.743 3.960 0.010 0.000 0.216 403 G HA3 -0.223 3.743 3.960 0.010 0.000 0.216 403 G C 1.235 176.045 174.900 -0.150 0.000 1.162 403 G CA 0.974 46.034 45.100 -0.066 0.000 0.777 403 G HN 0.501 nan 8.290 nan 0.000 0.539 404 D N -0.326 119.990 120.400 -0.140 0.000 2.117 404 D HA -0.068 4.578 4.640 0.010 0.000 0.198 404 D C 2.105 178.073 176.300 -0.553 0.000 0.982 404 D CA 1.140 55.021 54.000 -0.197 0.000 0.828 404 D CB -0.401 40.440 40.800 0.067 0.000 0.967 404 D HN 0.387 nan 8.370 nan 0.000 0.464 405 H N 0.833 119.315 119.070 -0.980 0.000 2.357 405 H HA 0.048 4.609 4.556 0.009 0.000 0.301 405 H C 1.461 176.395 175.328 -0.656 0.000 1.082 405 H CA 1.557 56.882 56.048 -1.205 0.000 1.342 405 H CB 0.073 29.080 29.762 -1.258 0.000 1.389 405 H HN -0.013 nan 8.280 nan 0.000 0.511 406 N N -0.847 117.403 118.700 -0.751 0.000 2.409 406 N HA 0.016 4.762 4.740 0.010 0.000 0.174 406 N C 1.126 176.380 175.510 -0.427 0.000 1.037 406 N CA 1.019 53.556 53.050 -0.855 0.000 0.898 406 N CB 1.181 38.559 38.487 -1.849 0.000 1.010 406 N HN 0.267 nan 8.380 nan 0.000 0.445 407 V N -0.598 119.122 119.914 -0.322 0.000 3.442 407 V HA 0.060 4.186 4.120 0.010 0.000 0.205 407 V C 2.120 178.168 176.094 -0.077 0.000 1.320 407 V CA 0.161 62.407 62.300 -0.091 0.000 1.306 407 V CB -0.091 31.741 31.823 0.014 0.000 1.267 407 V HN -0.191 nan 8.190 nan 0.000 0.538 408 V N 0.184 120.050 119.914 -0.080 0.000 2.295 408 V HA -0.291 3.835 4.120 0.010 0.000 0.246 408 V C 2.480 178.535 176.094 -0.065 0.000 1.049 408 V CA 2.637 64.906 62.300 -0.053 0.000 1.024 408 V CB -0.738 31.081 31.823 -0.006 0.000 0.648 408 V HN 0.682 nan 8.190 nan 0.000 0.447 409 c N -0.657 117.897 118.600 -0.077 0.000 2.475 409 c HA 0.034 4.610 4.570 0.010 0.000 0.279 409 c C 0.556 174.619 174.090 -0.047 0.000 1.322 409 c CA 0.638 56.953 56.329 -0.023 0.000 1.734 409 c CB -1.736 40.806 42.510 0.054 0.000 2.005 409 c HN 0.452 nan 8.230 nan 0.000 0.495 410 P HA -0.115 nan 4.420 nan 0.000 0.215 410 P C 1.795 179.038 177.300 -0.094 0.000 1.157 410 P CA 1.542 64.578 63.100 -0.106 0.000 0.874 410 P CB -0.171 31.441 31.700 -0.146 0.000 0.790 411 V N 0.039 119.896 119.914 -0.094 0.000 2.287 411 V HA -0.296 3.830 4.120 0.010 0.000 0.248 411 V C 2.467 178.471 176.094 -0.151 0.000 1.053 411 V CA 2.367 64.596 62.300 -0.119 0.000 1.027 411 V CB -1.756 29.991 31.823 -0.127 0.000 0.646 411 V HN 0.114 nan 8.190 nan 0.000 0.447 412 A N -0.585 122.157 122.820 -0.130 0.000 1.883 412 A HA -0.359 3.966 4.320 0.010 0.000 0.217 412 A C 2.191 179.737 177.584 -0.064 0.000 1.186 412 A CA 2.475 54.440 52.037 -0.121 0.000 0.624 412 A CB -0.665 18.310 19.000 -0.041 0.000 0.822 412 A HN 0.584 nan 8.150 nan 0.000 0.444 413 Q N -0.708 119.074 119.800 -0.029 0.000 2.045 413 Q HA -0.195 4.151 4.340 0.010 0.000 0.206 413 Q C 1.918 177.902 176.000 -0.026 0.000 0.991 413 Q CA 2.069 57.869 55.803 -0.006 0.000 0.851 413 Q CB -0.460 28.272 28.738 -0.009 0.000 0.911 413 Q HN 0.571 nan 8.270 nan 0.000 0.418 414 L N 0.024 121.205 121.223 -0.070 0.000 1.994 414 L HA -0.092 4.253 4.340 0.010 0.000 0.208 414 L C 2.182 178.993 176.870 -0.098 0.000 1.071 414 L CA 2.332 57.118 54.840 -0.091 0.000 0.745 414 L CB -1.053 40.936 42.059 -0.117 0.000 0.892 414 L HN 0.290 nan 8.230 nan 0.000 0.431 415 A N -0.477 122.251 122.820 -0.154 0.000 1.908 415 A HA -0.143 4.183 4.320 0.010 0.000 0.218 415 A C 2.332 179.933 177.584 0.028 0.000 1.181 415 A CA 1.822 53.739 52.037 -0.200 0.000 0.627 415 A CB -1.705 16.936 19.000 -0.598 0.000 0.818 415 A HN 0.572 nan 8.150 nan 0.000 0.445 416 G N -0.932 107.928 108.800 0.100 0.000 2.421 416 G HA2 -0.197 3.769 3.960 0.010 0.000 0.216 416 G HA3 -0.197 3.769 3.960 0.010 0.000 0.216 416 G C 1.694 176.683 174.900 0.149 0.000 1.171 416 G CA 0.792 46.036 45.100 0.240 0.000 0.775 416 G HN 0.387 nan 8.290 nan 0.000 0.543 417 R N -0.323 120.233 120.500 0.093 0.000 2.073 417 R HA 0.124 4.470 4.340 0.010 0.000 0.229 417 R C 2.536 178.919 176.300 0.138 0.000 1.120 417 R CA 0.347 56.511 56.100 0.107 0.000 0.967 417 R CB -1.165 29.190 30.300 0.093 0.000 0.862 417 R HN 0.314 nan 8.270 nan 0.000 0.436 418 L N 0.685 121.940 121.223 0.054 0.000 2.046 418 L HA -0.063 4.283 4.340 0.010 0.000 0.208 418 L C 2.399 179.340 176.870 0.119 0.000 1.077 418 L CA 1.947 56.795 54.840 0.014 0.000 0.747 418 L CB -1.113 40.842 42.059 -0.175 0.000 0.896 418 L HN 0.139 nan 8.230 nan 0.000 0.432 419 A N -0.829 122.066 122.820 0.126 0.000 1.877 419 A HA -0.134 4.192 4.320 0.010 0.000 0.216 419 A C 2.408 180.057 177.584 0.108 0.000 1.186 419 A CA 1.707 53.822 52.037 0.131 0.000 0.620 419 A CB -0.932 18.181 19.000 0.189 0.000 0.822 419 A HN 0.385 nan 8.150 nan 0.000 0.443 420 A N -1.413 121.475 122.820 0.114 0.000 2.121 420 A HA -0.064 4.262 4.320 0.010 0.000 0.218 420 A C 1.747 179.389 177.584 0.098 0.000 1.154 420 A CA 1.472 53.562 52.037 0.089 0.000 0.679 420 A CB -0.262 18.789 19.000 0.085 0.000 0.795 420 A HN 0.602 nan 8.150 nan 0.000 0.458 421 Q N -1.803 118.087 119.800 0.150 0.000 2.186 421 Q HA 0.394 4.740 4.340 0.010 0.000 0.241 421 Q C 0.828 176.925 176.000 0.162 0.000 0.849 421 Q CA 0.436 56.331 55.803 0.154 0.000 1.053 421 Q CB 0.584 29.451 28.738 0.215 0.000 1.146 421 Q HN 0.743 nan 8.270 nan 0.000 0.475 422 G N -0.405 108.474 108.800 0.131 0.000 2.194 422 G HA2 -0.271 3.695 3.960 0.010 0.000 0.236 422 G HA3 -0.271 3.695 3.960 0.010 0.000 0.236 422 G C 0.336 175.310 174.900 0.124 0.000 0.987 422 G CA -0.180 44.984 45.100 0.106 0.000 0.635 422 G HN 0.542 nan 8.290 nan 0.000 0.520 423 A N -0.070 122.848 122.820 0.164 0.000 2.366 423 A HA 0.730 5.056 4.320 0.010 0.000 0.249 423 A C 0.625 178.260 177.584 0.085 0.000 1.084 423 A CA 0.661 52.780 52.037 0.137 0.000 0.794 423 A CB 0.340 19.407 19.000 0.111 0.000 1.034 423 A HN 0.884 nan 8.150 nan 0.000 0.491 424 R N 1.185 121.735 120.500 0.084 0.000 2.207 424 R HA 0.514 4.860 4.340 0.010 0.000 0.334 424 R C -1.602 174.722 176.300 0.040 0.000 1.013 424 R CA -0.121 56.005 56.100 0.044 0.000 0.858 424 R CB 0.553 30.910 30.300 0.097 0.000 1.094 424 R HN 0.442 nan 8.270 nan 0.000 0.457 425 V N 5.938 125.806 119.914 -0.076 0.000 2.487 425 V HA 0.391 4.517 4.120 0.010 0.000 0.298 425 V C -1.057 174.915 176.094 -0.204 0.000 1.028 425 V CA -0.787 61.488 62.300 -0.042 0.000 0.860 425 V CB 1.303 33.158 31.823 0.054 0.000 0.991 425 V HN 0.649 nan 8.190 nan 0.000 0.427 426 Y N 2.353 122.617 120.300 -0.060 0.000 2.377 426 Y HA 0.794 5.350 4.550 0.009 0.000 0.339 426 Y C 0.378 176.373 175.900 0.158 0.000 1.011 426 Y CA -0.601 57.468 58.100 -0.050 0.000 1.093 426 Y CB 2.149 40.213 38.460 -0.660 0.000 1.201 426 Y HN 0.739 nan 8.280 nan 0.000 0.455 427 A N 3.347 126.549 122.820 0.636 0.000 2.371 427 A HA 0.799 5.125 4.320 0.010 0.000 0.311 427 A C -1.793 176.150 177.584 0.598 0.000 1.068 427 A CA -0.683 51.591 52.037 0.396 0.000 0.744 427 A CB 0.692 19.775 19.000 0.138 0.000 1.239 427 A HN 0.740 nan 8.150 nan 0.000 0.435 428 Y N 0.123 120.645 120.300 0.369 0.000 2.605 428 Y HA 0.822 5.376 4.550 0.007 0.000 0.343 428 Y C -1.001 175.055 175.900 0.260 0.000 1.036 428 Y CA -1.750 56.515 58.100 0.275 0.000 1.065 428 Y CB 1.435 40.043 38.460 0.246 0.000 1.288 428 Y HN 0.676 nan 8.280 nan 0.000 0.481 429 I N 3.147 124.015 120.570 0.496 0.000 2.466 429 I HA 0.453 4.628 4.170 0.010 0.000 0.289 429 I C -1.898 174.536 176.117 0.527 0.000 1.026 429 I CA -1.031 60.524 61.300 0.425 0.000 1.078 429 I CB 1.186 39.370 38.000 0.307 0.000 1.249 429 I HN 0.750 nan 8.210 nan 0.000 0.429 430 F N 7.407 127.624 119.950 0.444 0.000 2.410 430 F HA 0.424 4.957 4.527 0.010 0.000 0.349 430 F C 0.505 176.449 175.800 0.241 0.000 1.117 430 F CA 0.093 58.302 58.000 0.347 0.000 1.104 430 F CB 0.970 40.196 39.000 0.376 0.000 1.122 430 F HN 0.549 nan 8.300 nan 0.000 0.483 431 E N 3.158 123.187 120.200 -0.285 0.000 2.676 431 E HA -0.023 4.332 4.350 0.010 0.000 0.222 431 E C -0.884 175.578 176.600 -0.231 0.000 0.968 431 E CA -0.156 56.170 56.400 -0.123 0.000 1.090 431 E CB 0.341 30.005 29.700 -0.060 0.000 1.066 431 E HN 0.554 nan 8.360 nan 0.000 0.496 432 H N 1.579 120.253 119.070 -0.660 0.000 2.519 432 H HA 0.243 4.804 4.556 0.009 0.000 0.316 432 H C -0.378 174.895 175.328 -0.092 0.000 1.065 432 H CA -0.561 55.201 56.048 -0.476 0.000 1.264 432 H CB 0.617 29.901 29.762 -0.797 0.000 1.413 432 H HN -0.143 nan 8.280 nan 0.000 0.465 433 R N 4.370 124.504 120.500 -0.609 0.000 2.221 433 R HA 0.511 4.857 4.340 0.010 0.000 0.327 433 R C -0.671 175.352 176.300 -0.461 0.000 1.033 433 R CA -0.617 55.290 56.100 -0.322 0.000 0.887 433 R CB 0.433 30.648 30.300 -0.141 0.000 1.057 433 R HN 0.783 nan 8.270 nan 0.000 0.455 434 A N 3.279 126.124 122.820 0.041 0.000 2.546 434 A HA 0.002 4.327 4.320 0.010 0.000 0.243 434 A C 1.381 179.040 177.584 0.125 0.000 1.063 434 A CA 0.521 52.767 52.037 0.350 0.000 0.757 434 A CB 0.279 19.606 19.000 0.544 0.000 0.991 434 A HN 1.028 nan 8.150 nan 0.000 0.503 435 S N 1.619 117.427 115.700 0.180 0.000 2.442 435 S HA -0.174 4.302 4.470 0.010 0.000 0.236 435 S C 1.425 175.998 174.600 -0.046 0.000 1.007 435 S CA 1.716 59.952 58.200 0.061 0.000 0.965 435 S CB -0.843 62.415 63.200 0.097 0.000 0.773 435 S HN 1.302 nan 8.310 nan 0.000 0.504 436 T N -0.951 113.525 114.554 -0.130 0.000 3.129 436 T HA 0.311 4.667 4.350 0.010 0.000 0.251 436 T C 0.452 175.065 174.700 -0.145 0.000 1.117 436 T CA -0.502 61.462 62.100 -0.228 0.000 1.034 436 T CB -0.548 68.029 68.868 -0.485 0.000 0.968 436 T HN 0.245 nan 8.240 nan 0.000 0.526 437 L N 4.108 125.286 121.223 -0.074 0.000 2.540 437 L HA 0.200 4.546 4.340 0.010 0.000 0.276 437 L C 1.500 178.306 176.870 -0.105 0.000 1.212 437 L CA 0.846 55.635 54.840 -0.085 0.000 0.893 437 L CB 0.662 42.678 42.059 -0.071 0.000 1.138 437 L HN 0.445 nan 8.230 nan 0.000 0.491 438 T N -0.336 114.113 114.554 -0.175 0.000 3.060 438 T HA 0.106 4.461 4.350 0.010 0.000 0.249 438 T C 0.342 175.010 174.700 -0.053 0.000 1.079 438 T CA -0.425 61.567 62.100 -0.180 0.000 1.013 438 T CB -0.315 68.313 68.868 -0.401 0.000 0.975 438 T HN 0.418 nan 8.240 nan 0.000 0.518 439 W N 3.479 124.776 121.300 -0.005 0.000 2.150 439 W HA 0.412 5.078 4.660 0.010 0.000 0.341 439 W C -1.974 174.460 176.519 -0.142 0.000 1.276 439 W CA -2.176 55.157 57.345 -0.020 0.000 1.238 439 W CB 0.111 29.488 29.460 -0.137 0.000 1.128 439 W HN -0.045 nan 8.180 nan 0.000 0.581 440 P HA -0.025 nan 4.420 nan 0.000 0.271 440 P C 0.476 177.700 177.300 -0.127 0.000 1.233 440 P CA 0.089 63.150 63.100 -0.066 0.000 0.789 440 P CB 0.868 32.521 31.700 -0.079 0.000 0.951 441 L N 0.287 121.502 121.223 -0.015 0.000 2.191 441 L HA -0.102 4.244 4.340 0.010 0.000 0.212 441 L C 2.481 179.387 176.870 0.059 0.000 1.103 441 L CA 1.139 55.991 54.840 0.020 0.000 0.769 441 L CB -0.802 41.297 42.059 0.066 0.000 0.908 441 L HN 0.603 nan 8.230 nan 0.000 0.438 442 W N -1.032 120.314 121.300 0.077 0.000 2.465 442 W HA -0.153 4.512 4.660 0.009 0.000 0.268 442 W C 1.645 178.225 176.519 0.101 0.000 1.242 442 W CA 0.468 57.864 57.345 0.084 0.000 1.248 442 W CB -0.821 28.691 29.460 0.087 0.000 1.118 442 W HN 0.169 nan 8.180 nan 0.000 0.587 443 M N 1.502 120.792 119.600 -0.516 0.000 2.686 443 M HA 0.108 4.594 4.480 0.010 0.000 0.246 443 M C 1.815 178.048 176.300 -0.112 0.000 1.096 443 M CA 1.382 56.393 55.300 -0.483 0.000 1.076 443 M CB -0.769 31.407 32.600 -0.706 0.000 1.504 443 M HN 0.200 nan 8.290 nan 0.000 0.524 444 G N 0.754 109.541 108.800 -0.022 0.000 2.622 444 G HA2 -0.302 3.664 3.960 0.010 0.000 0.307 444 G HA3 -0.302 3.664 3.960 0.010 0.000 0.307 444 G C -0.067 174.851 174.900 0.030 0.000 1.226 444 G CA -0.020 45.104 45.100 0.039 0.000 0.997 444 G HN 0.258 nan 8.290 nan 0.000 0.551 445 V N 3.818 123.786 119.914 0.090 0.000 2.270 445 V HA 0.455 4.581 4.120 0.010 0.000 0.263 445 V C -1.734 174.479 176.094 0.197 0.000 1.066 445 V CA -0.739 61.654 62.300 0.156 0.000 0.857 445 V CB 1.042 32.999 31.823 0.223 0.000 1.099 445 V HN 0.532 nan 8.190 nan 0.000 0.476 446 P HA 0.217 nan 4.420 nan 0.000 0.276 446 P C -0.374 177.097 177.300 0.286 0.000 1.261 446 P CA -0.550 62.648 63.100 0.165 0.000 0.800 446 P CB 0.466 32.165 31.700 -0.001 0.000 1.066 447 H N -0.180 118.929 119.070 0.064 0.000 2.928 447 H HA 0.335 4.896 4.556 0.009 0.000 0.338 447 H C 1.462 176.673 175.328 -0.195 0.000 1.047 447 H CA 2.024 58.053 56.048 -0.032 0.000 1.435 447 H CB -0.487 29.245 29.762 -0.049 0.000 1.428 447 H HN 0.740 nan 8.280 nan 0.000 0.590 448 G N 3.242 111.695 108.800 -0.578 0.000 2.217 448 G HA2 -0.318 3.648 3.960 0.010 0.000 0.246 448 G HA3 -0.318 3.648 3.960 0.010 0.000 0.246 448 G C 0.472 175.189 174.900 -0.306 0.000 0.990 448 G CA 0.421 45.180 45.100 -0.568 0.000 0.627 448 G HN 0.646 nan 8.290 nan 0.000 0.522 449 Y N 1.470 121.810 120.300 0.067 0.000 2.532 449 Y HA 0.281 4.837 4.550 0.009 0.000 0.283 449 Y C 2.212 178.192 175.900 0.133 0.000 1.181 449 Y CA 0.753 58.971 58.100 0.197 0.000 1.256 449 Y CB 0.468 39.092 38.460 0.274 0.000 1.112 449 Y HN 0.479 nan 8.280 nan 0.000 0.521 450 E N 0.115 120.220 120.200 -0.159 0.000 2.364 450 E HA -0.042 4.314 4.350 0.010 0.000 0.196 450 E C 1.587 178.068 176.600 -0.199 0.000 0.990 450 E CA 0.607 56.585 56.400 -0.704 0.000 0.886 450 E CB -0.379 28.485 29.700 -1.394 0.000 0.866 450 E HN 0.535 nan 8.360 nan 0.000 0.493 451 I N 2.875 123.416 120.570 -0.049 0.000 2.163 451 I HA -0.317 3.859 4.170 0.010 0.000 0.243 451 I C 2.700 178.824 176.117 0.011 0.000 1.085 451 I CA 2.206 63.533 61.300 0.045 0.000 1.347 451 I CB -0.542 37.544 38.000 0.143 0.000 1.044 451 I HN 0.218 nan 8.210 nan 0.000 0.408 452 E N 1.038 121.195 120.200 -0.071 0.000 2.209 452 E HA -0.236 4.120 4.350 0.010 0.000 0.196 452 E C 2.011 178.374 176.600 -0.395 0.000 0.993 452 E CA 1.487 57.743 56.400 -0.238 0.000 0.819 452 E CB -0.499 29.048 29.700 -0.254 0.000 0.745 452 E HN 0.462 nan 8.360 nan 0.000 0.477 453 F N 1.287 121.142 119.950 -0.160 0.000 2.149 453 F HA -0.014 4.520 4.527 0.012 0.000 0.294 453 F C 2.342 177.922 175.800 -0.367 0.000 1.095 453 F CA 0.453 58.300 58.000 -0.255 0.000 1.276 453 F CB -0.136 38.782 39.000 -0.138 0.000 1.023 453 F HN -0.046 nan 8.300 nan 0.000 0.480 454 I N -0.732 119.688 120.570 -0.251 0.000 2.335 454 I HA -0.293 3.882 4.170 0.010 0.000 0.251 454 I C 1.990 177.862 176.117 -0.408 0.000 1.129 454 I CA 1.710 62.698 61.300 -0.521 0.000 1.402 454 I CB -1.454 36.110 38.000 -0.725 0.000 1.069 454 I HN 0.102 nan 8.210 nan 0.000 0.424 455 F N 0.767 120.535 119.950 -0.303 0.000 2.789 455 F HA 0.255 4.788 4.527 0.010 0.000 0.300 455 F C 1.886 177.543 175.800 -0.238 0.000 1.132 455 F CA 0.723 58.586 58.000 -0.227 0.000 1.404 455 F CB -0.168 38.688 39.000 -0.239 0.000 1.114 455 F HN 0.270 nan 8.300 nan 0.000 0.584 456 G N 0.261 108.893 108.800 -0.281 0.000 2.147 456 G HA2 -0.309 3.657 3.960 0.010 0.000 0.244 456 G HA3 -0.309 3.657 3.960 0.010 0.000 0.244 456 G C 0.974 175.214 174.900 -1.100 0.000 1.005 456 G CA 0.376 45.162 45.100 -0.524 0.000 0.713 456 G HN 0.287 nan 8.290 nan 0.000 0.515 457 L N 0.428 121.084 121.223 -0.945 0.000 2.043 457 L HA 0.001 4.347 4.340 0.010 0.000 0.212 457 L C 0.520 176.802 176.870 -0.981 0.000 1.075 457 L CA 2.800 57.037 54.840 -1.006 0.000 0.752 457 L CB -1.133 40.608 42.059 -0.531 0.000 0.891 457 L HN 0.224 nan 8.230 nan 0.000 0.432 458 P HA -0.159 nan 4.420 nan 0.000 0.223 458 P C 1.685 178.682 177.300 -0.505 0.000 1.144 458 P CA 0.851 63.273 63.100 -1.129 0.000 0.783 458 P CB 0.029 31.081 31.700 -1.080 0.000 0.771 459 L N -0.961 119.935 121.223 -0.545 0.000 2.265 459 L HA -0.078 4.268 4.340 0.010 0.000 0.215 459 L C 0.961 177.720 176.870 -0.186 0.000 1.117 459 L CA 1.302 55.949 54.840 -0.322 0.000 0.782 459 L CB -1.267 40.608 42.059 -0.307 0.000 0.914 459 L HN -0.022 nan 8.230 nan 0.000 0.441 460 D N 0.488 120.745 120.400 -0.238 0.000 2.352 460 D HA 0.053 4.699 4.640 0.010 0.000 0.245 460 D C -1.450 174.857 176.300 0.011 0.000 1.224 460 D CA -2.080 51.914 54.000 -0.010 0.000 0.879 460 D CB 1.243 42.087 40.800 0.073 0.000 1.057 460 D HN 0.038 nan 8.370 nan 0.000 0.491 461 P HA -0.176 nan 4.420 nan 0.000 0.219 461 P C 1.157 178.475 177.300 0.031 0.000 1.146 461 P CA 0.802 63.919 63.100 0.027 0.000 0.808 461 P CB 0.088 31.801 31.700 0.022 0.000 0.779 462 S N -0.955 114.763 115.700 0.029 0.000 2.555 462 S HA -0.008 4.468 4.470 0.010 0.000 0.230 462 S C 1.723 176.330 174.600 0.011 0.000 0.978 462 S CA 0.324 58.534 58.200 0.016 0.000 0.934 462 S CB -1.244 61.963 63.200 0.013 0.000 0.766 462 S HN 0.122 nan 8.310 nan 0.000 0.533 463 L N 0.478 121.727 121.223 0.043 0.000 2.607 463 L HA 0.286 4.632 4.340 0.010 0.000 0.228 463 L C 0.343 177.187 176.870 -0.044 0.000 1.123 463 L CA -0.119 54.745 54.840 0.040 0.000 0.890 463 L CB -0.489 41.674 42.059 0.173 0.000 1.103 463 L HN 0.216 nan 8.230 nan 0.000 0.468 464 N N -1.763 116.935 118.700 -0.003 0.000 2.850 464 N HA -0.218 4.528 4.740 0.010 0.000 0.249 464 N C -0.362 175.105 175.510 -0.073 0.000 1.060 464 N CA 0.821 53.838 53.050 -0.056 0.000 0.825 464 N CB -1.700 36.723 38.487 -0.106 0.000 1.132 464 N HN 0.291 nan 8.380 nan 0.000 0.564 465 Y N 1.134 121.419 120.300 -0.025 0.000 2.357 465 Y HA 0.174 4.730 4.550 0.009 0.000 0.340 465 Y C 1.987 177.907 175.900 0.034 0.000 1.260 465 Y CA 0.332 58.442 58.100 0.015 0.000 1.425 465 Y CB 0.444 38.899 38.460 -0.008 0.000 1.326 465 Y HN 0.072 nan 8.280 nan 0.000 0.580 466 T N -2.632 112.065 114.554 0.238 0.000 2.813 466 T HA 0.035 4.391 4.350 0.010 0.000 0.297 466 T C 1.112 175.893 174.700 0.135 0.000 1.036 466 T CA -0.311 61.879 62.100 0.150 0.000 1.044 466 T CB 0.864 69.812 68.868 0.135 0.000 0.993 466 T HN 0.728 nan 8.240 nan 0.000 0.535 467 T N 1.371 115.975 114.554 0.083 0.000 2.788 467 T HA -0.077 4.279 4.350 0.010 0.000 0.268 467 T C 1.777 176.514 174.700 0.061 0.000 1.044 467 T CA 1.832 63.968 62.100 0.059 0.000 1.139 467 T CB -0.391 68.499 68.868 0.037 0.000 0.867 467 T HN 0.781 nan 8.240 nan 0.000 0.454 468 E N 1.270 121.504 120.200 0.056 0.000 2.106 468 E HA -0.075 4.281 4.350 0.010 0.000 0.192 468 E C 2.181 178.830 176.600 0.081 0.000 0.984 468 E CA 0.836 57.257 56.400 0.035 0.000 0.806 468 E CB -0.191 29.498 29.700 -0.019 0.000 0.750 468 E HN 0.550 nan 8.360 nan 0.000 0.458 469 E N 0.535 120.825 120.200 0.149 0.000 2.085 469 E HA -0.187 4.169 4.350 0.010 0.000 0.194 469 E C 2.135 178.882 176.600 0.245 0.000 0.994 469 E CA 0.662 57.255 56.400 0.321 0.000 0.801 469 E CB -0.020 29.992 29.700 0.520 0.000 0.743 469 E HN 0.087 nan 8.360 nan 0.000 0.453 470 R N 0.616 121.181 120.500 0.108 0.000 2.083 470 R HA -0.169 4.177 4.340 0.010 0.000 0.237 470 R C 2.305 178.617 176.300 0.020 0.000 1.137 470 R CA 1.305 57.409 56.100 0.007 0.000 0.951 470 R CB -0.341 29.956 30.300 -0.005 0.000 0.851 470 R HN 0.179 nan 8.270 nan 0.000 0.434 471 I N 0.107 120.710 120.570 0.055 0.000 2.226 471 I HA -0.290 3.886 4.170 0.010 0.000 0.245 471 I C 2.227 178.397 176.117 0.088 0.000 1.100 471 I CA 1.051 62.380 61.300 0.048 0.000 1.374 471 I CB -0.345 37.682 38.000 0.045 0.000 1.057 471 I HN 0.138 nan 8.210 nan 0.000 0.413 472 F N 1.741 121.665 119.950 -0.042 0.000 2.102 472 F HA -0.217 4.315 4.527 0.008 0.000 0.298 472 F C 2.421 178.227 175.800 0.011 0.000 1.105 472 F CA 1.243 59.213 58.000 -0.049 0.000 1.239 472 F CB -0.729 38.190 39.000 -0.136 0.000 0.991 472 F HN 0.029 nan 8.300 nan 0.000 0.474 473 A N 0.275 123.043 122.820 -0.086 0.000 1.883 473 A HA -0.275 4.051 4.320 0.010 0.000 0.217 473 A C 2.157 179.608 177.584 -0.220 0.000 1.186 473 A CA 2.016 53.937 52.037 -0.193 0.000 0.624 473 A CB -1.052 17.843 19.000 -0.175 0.000 0.822 473 A HN 0.612 nan 8.150 nan 0.000 0.444 474 Q N -0.905 118.805 119.800 -0.149 0.000 2.112 474 Q HA -0.220 4.126 4.340 0.010 0.000 0.206 474 Q C 2.387 178.286 176.000 -0.169 0.000 0.987 474 Q CA 1.711 57.434 55.803 -0.132 0.000 0.858 474 Q CB -0.224 28.464 28.738 -0.084 0.000 0.905 474 Q HN 0.619 nan 8.270 nan 0.000 0.420 475 R N 0.326 120.718 120.500 -0.180 0.000 2.083 475 R HA -0.131 4.214 4.340 0.010 0.000 0.237 475 R C 2.338 178.387 176.300 -0.419 0.000 1.137 475 R CA 1.308 57.227 56.100 -0.300 0.000 0.951 475 R CB -0.305 29.906 30.300 -0.148 0.000 0.851 475 R HN 0.262 nan 8.270 nan 0.000 0.434 476 L N -0.034 121.032 121.223 -0.261 0.000 2.046 476 L HA -0.212 4.134 4.340 0.010 0.000 0.208 476 L C 2.543 179.387 176.870 -0.043 0.000 1.077 476 L CA 1.386 56.171 54.840 -0.091 0.000 0.747 476 L CB -0.361 41.475 42.059 -0.371 0.000 0.896 476 L HN 0.303 nan 8.230 nan 0.000 0.432 477 M N -0.789 118.717 119.600 -0.156 0.000 2.117 477 M HA -0.189 4.297 4.480 0.010 0.000 0.262 477 M C 2.339 178.632 176.300 -0.013 0.000 1.065 477 M CA 1.532 56.769 55.300 -0.105 0.000 1.114 477 M CB -0.294 32.224 32.600 -0.136 0.000 1.361 477 M HN 0.049 nan 8.290 nan 0.000 0.408 478 K N 0.011 120.364 120.400 -0.078 0.000 2.032 478 K HA -0.167 4.159 4.320 0.010 0.000 0.209 478 K C 1.860 178.496 176.600 0.059 0.000 1.048 478 K CA 1.832 58.078 56.287 -0.069 0.000 0.927 478 K CB -0.667 31.721 32.500 -0.188 0.000 0.712 478 K HN 0.333 nan 8.250 nan 0.000 0.441 479 Y N -0.161 120.260 120.300 0.202 0.000 2.070 479 Y HA -0.244 4.313 4.550 0.012 0.000 0.280 479 Y C 2.550 178.591 175.900 0.236 0.000 1.148 479 Y CA 0.892 59.156 58.100 0.273 0.000 1.125 479 Y CB -0.966 37.803 38.460 0.514 0.000 0.975 479 Y HN 0.227 nan 8.280 nan 0.000 0.492 480 W N 0.642 122.018 121.300 0.126 0.000 2.333 480 W HA -0.272 4.393 4.660 0.008 0.000 0.316 480 W C 2.579 179.098 176.519 -0.000 0.000 1.215 480 W CA 2.397 59.751 57.345 0.014 0.000 1.278 480 W CB -0.788 28.603 29.460 -0.115 0.000 1.154 480 W HN 0.255 nan 8.180 nan 0.000 0.486 481 T N -2.087 112.567 114.554 0.165 0.000 2.904 481 T HA -0.145 4.210 4.350 0.010 0.000 0.267 481 T C 1.405 176.124 174.700 0.031 0.000 1.059 481 T CA 1.287 63.416 62.100 0.049 0.000 1.137 481 T CB -0.591 68.284 68.868 0.012 0.000 0.879 481 T HN -0.074 nan 8.240 nan 0.000 0.467 482 N N 1.062 119.797 118.700 0.059 0.000 2.084 482 N HA -0.013 4.733 4.740 0.010 0.000 0.190 482 N C 1.342 176.838 175.510 -0.023 0.000 1.030 482 N CA 1.107 54.170 53.050 0.023 0.000 0.849 482 N CB -0.735 37.784 38.487 0.054 0.000 1.012 482 N HN 0.512 nan 8.380 nan 0.000 0.423 483 F N 1.497 121.352 119.950 -0.158 0.000 2.134 483 F HA -0.085 4.448 4.527 0.010 0.000 0.299 483 F C 2.117 177.824 175.800 -0.154 0.000 1.097 483 F CA 1.361 59.215 58.000 -0.244 0.000 1.264 483 F CB -0.430 38.330 39.000 -0.400 0.000 1.001 483 F HN 0.038 nan 8.300 nan 0.000 0.479 484 A N 0.644 123.367 122.820 -0.161 0.000 1.877 484 A HA -0.197 4.129 4.320 0.010 0.000 0.216 484 A C 2.385 179.849 177.584 -0.201 0.000 1.186 484 A CA 1.786 53.711 52.037 -0.187 0.000 0.620 484 A CB -0.802 18.163 19.000 -0.058 0.000 0.822 484 A HN 0.453 nan 8.150 nan 0.000 0.443 485 R N -1.271 119.144 120.500 -0.142 0.000 2.081 485 R HA -0.103 4.243 4.340 0.010 0.000 0.235 485 R C 2.070 178.279 176.300 -0.151 0.000 1.131 485 R CA 1.983 58.014 56.100 -0.114 0.000 0.960 485 R CB -0.164 30.095 30.300 -0.069 0.000 0.856 485 R HN 0.758 nan 8.270 nan 0.000 0.436 486 T N -6.247 108.187 114.554 -0.200 0.000 2.969 486 T HA 0.226 4.582 4.350 0.010 0.000 0.258 486 T C 1.105 175.664 174.700 -0.235 0.000 0.962 486 T CA 0.435 62.433 62.100 -0.171 0.000 0.903 486 T CB 1.341 70.146 68.868 -0.104 0.000 1.177 486 T HN 0.315 nan 8.240 nan 0.000 0.511 487 G N 1.340 109.868 108.800 -0.454 0.000 2.136 487 G HA2 -0.150 3.815 3.960 0.010 0.000 0.242 487 G HA3 -0.150 3.815 3.960 0.010 0.000 0.242 487 G C -0.392 174.411 174.900 -0.163 0.000 0.989 487 G CA 0.189 44.964 45.100 -0.541 0.000 0.682 487 G HN 0.792 nan 8.290 nan 0.000 0.522 488 D N -0.598 119.695 120.400 -0.177 0.000 2.736 488 D HA 0.434 5.079 4.640 0.010 0.000 0.243 488 D C -1.236 174.915 176.300 -0.249 0.000 1.304 488 D CA -1.570 52.292 54.000 -0.229 0.000 0.934 488 D CB 2.099 42.858 40.800 -0.068 0.000 1.382 488 D HN 0.005 nan 8.370 nan 0.000 0.571 489 P HA -0.066 nan 4.420 nan 0.000 0.223 489 P C 0.105 177.445 177.300 0.067 0.000 1.151 489 P CA 0.271 63.221 63.100 -0.250 0.000 0.787 489 P CB 0.444 31.698 31.700 -0.744 0.000 0.788 490 N N 1.350 120.061 118.700 0.018 0.000 2.482 490 N HA 0.020 4.765 4.740 0.010 0.000 0.260 490 N C 0.102 175.683 175.510 0.118 0.000 1.236 490 N CA 0.240 53.389 53.050 0.165 0.000 0.938 490 N CB 0.567 39.144 38.487 0.151 0.000 1.128 490 N HN 0.033 nan 8.380 nan 0.000 0.448 491 D N 1.044 121.523 120.400 0.130 0.000 2.312 491 D HA 0.136 4.782 4.640 0.010 0.000 0.252 491 D C -1.448 174.892 176.300 0.065 0.000 1.150 491 D CA -1.633 52.413 54.000 0.077 0.000 0.870 491 D CB 1.428 42.267 40.800 0.064 0.000 1.153 491 D HN 0.231 nan 8.370 nan 0.000 0.457 492 P HA -0.079 nan 4.420 nan 0.000 0.215 492 P C 1.315 178.638 177.300 0.039 0.000 1.153 492 P CA 0.930 64.053 63.100 0.039 0.000 0.853 492 P CB 0.504 32.219 31.700 0.025 0.000 0.788 493 R N -0.163 120.358 120.500 0.034 0.000 2.127 493 R HA -0.057 4.288 4.340 0.010 0.000 0.219 493 R C 1.101 177.425 176.300 0.041 0.000 1.133 493 R CA 1.055 57.175 56.100 0.033 0.000 0.890 493 R CB -1.175 29.140 30.300 0.026 0.000 0.804 493 R HN 0.044 nan 8.270 nan 0.000 0.443 494 D N 1.010 121.437 120.400 0.044 0.000 2.680 494 D HA -0.071 4.575 4.640 0.010 0.000 0.245 494 D C 0.139 176.478 176.300 0.065 0.000 1.209 494 D CA 0.292 54.322 54.000 0.051 0.000 1.413 494 D CB 0.088 40.919 40.800 0.051 0.000 1.144 494 D HN 0.331 nan 8.370 nan 0.000 0.499 495 S N 0.773 116.508 115.700 0.058 0.000 2.558 495 S HA -0.019 4.457 4.470 0.010 0.000 0.217 495 S C 2.060 176.695 174.600 0.059 0.000 0.975 495 S CA 0.434 58.672 58.200 0.063 0.000 0.912 495 S CB 0.360 63.593 63.200 0.054 0.000 0.776 495 S HN 0.459 nan 8.310 nan 0.000 0.526 496 K N 2.272 122.703 120.400 0.052 0.000 1.991 496 K HA 0.117 4.442 4.320 0.010 0.000 0.212 496 K C 1.300 177.935 176.600 0.058 0.000 1.049 496 K CA 1.583 57.898 56.287 0.047 0.000 0.932 496 K CB -1.515 31.008 32.500 0.038 0.000 0.717 496 K HN 0.475 nan 8.250 nan 0.000 0.441 497 S N 2.176 117.918 115.700 0.069 0.000 2.558 497 S HA 0.253 4.729 4.470 0.010 0.000 0.291 497 S C -2.214 172.450 174.600 0.107 0.000 1.306 497 S CA -0.810 57.444 58.200 0.091 0.000 1.056 497 S CB 0.827 64.094 63.200 0.113 0.000 0.836 497 S HN 0.433 nan 8.310 nan 0.000 0.504 498 P HA 0.157 nan 4.420 nan 0.000 0.272 498 P C -0.508 176.882 177.300 0.150 0.000 1.223 498 P CA -0.388 62.774 63.100 0.104 0.000 0.784 498 P CB 0.425 32.169 31.700 0.074 0.000 0.923 499 Q N 0.531 120.420 119.800 0.149 0.000 2.230 499 Q HA 0.200 4.545 4.340 0.010 0.000 0.248 499 Q C -0.758 175.404 176.000 0.270 0.000 0.915 499 Q CA -0.043 55.886 55.803 0.209 0.000 0.900 499 Q CB 0.946 29.791 28.738 0.179 0.000 1.229 499 Q HN 0.565 nan 8.270 nan 0.000 0.439 500 W N 6.003 127.373 121.300 0.117 0.000 2.317 500 W HA 0.328 4.994 4.660 0.008 0.000 0.327 500 W C -2.474 174.195 176.519 0.250 0.000 1.036 500 W CA -2.620 54.809 57.345 0.140 0.000 1.419 500 W CB 0.421 29.921 29.460 0.066 0.000 1.253 500 W HN 0.374 nan 8.180 nan 0.000 0.392 501 P HA 0.199 nan 4.420 nan 0.000 0.275 501 P C -2.517 174.961 177.300 0.297 0.000 1.228 501 P CA -1.422 61.879 63.100 0.335 0.000 0.786 501 P CB 0.515 32.334 31.700 0.198 0.000 0.927 502 P HA -0.017 nan 4.420 nan 0.000 0.267 502 P C -0.538 176.741 177.300 -0.036 0.000 1.201 502 P CA 0.308 63.168 63.100 -0.400 0.000 0.775 502 P CB 0.030 31.496 31.700 -0.390 0.000 0.854 503 Y N 2.650 122.888 120.300 -0.104 0.000 2.436 503 Y HA 0.295 4.853 4.550 0.013 0.000 0.336 503 Y C 0.385 176.276 175.900 -0.015 0.000 1.049 503 Y CA 0.434 58.544 58.100 0.017 0.000 1.294 503 Y CB 0.157 38.650 38.460 0.054 0.000 1.179 503 Y HN 0.352 nan 8.280 nan 0.000 0.520 504 T N 0.299 114.572 114.554 -0.468 0.000 2.924 504 T HA 0.239 4.595 4.350 0.010 0.000 0.291 504 T C 0.996 175.392 174.700 -0.506 0.000 1.045 504 T CA -0.201 61.690 62.100 -0.349 0.000 1.015 504 T CB 1.404 70.169 68.868 -0.171 0.000 1.103 504 T HN 0.656 nan 8.240 nan 0.000 0.496 505 T N -0.986 113.425 114.554 -0.238 0.000 2.867 505 T HA 0.029 4.385 4.350 0.010 0.000 0.268 505 T C 2.219 176.851 174.700 -0.114 0.000 1.057 505 T CA 0.828 62.839 62.100 -0.148 0.000 1.136 505 T CB -0.735 68.119 68.868 -0.025 0.000 0.874 505 T HN 0.809 nan 8.240 nan 0.000 0.466 506 A N 1.634 124.395 122.820 -0.099 0.000 1.872 506 A HA 0.526 4.851 4.320 0.010 0.000 0.214 506 A C 2.651 180.192 177.584 -0.072 0.000 1.187 506 A CA 1.538 53.538 52.037 -0.062 0.000 0.614 506 A CB -1.093 17.883 19.000 -0.041 0.000 0.826 506 A HN 0.742 nan 8.150 nan 0.000 0.442 507 A N -2.192 120.561 122.820 -0.112 0.000 2.140 507 A HA 0.281 4.607 4.320 0.010 0.000 0.209 507 A C 0.899 178.419 177.584 -0.106 0.000 1.181 507 A CA 0.778 52.766 52.037 -0.083 0.000 0.824 507 A CB -0.197 18.770 19.000 -0.055 0.000 0.879 507 A HN 0.523 nan 8.150 nan 0.000 0.480 508 Q N -0.077 119.543 119.800 -0.300 0.000 2.451 508 Q HA -0.220 4.126 4.340 0.010 0.000 0.305 508 Q C -0.729 175.325 176.000 0.090 0.000 1.345 508 Q CA 0.669 56.249 55.803 -0.371 0.000 0.854 508 Q CB -1.777 26.948 28.738 -0.022 0.000 1.162 508 Q HN 0.826 nan 8.270 nan 0.000 0.440 509 Q N 0.350 120.194 119.800 0.074 0.000 2.259 509 Q HA 0.561 4.907 4.340 0.010 0.000 0.249 509 Q C -0.445 175.840 176.000 0.475 0.000 0.914 509 Q CA -0.216 55.721 55.803 0.223 0.000 0.904 509 Q CB 0.779 29.583 28.738 0.110 0.000 1.213 509 Q HN 0.356 nan 8.270 nan 0.000 0.428 510 Y N -1.798 118.635 120.300 0.221 0.000 2.638 510 Y HA 0.702 5.263 4.550 0.019 0.000 0.335 510 Y C -1.195 174.716 175.900 0.017 0.000 1.155 510 Y CA -1.483 56.737 58.100 0.200 0.000 1.046 510 Y CB 0.469 39.043 38.460 0.191 0.000 1.303 510 Y HN 0.364 nan 8.280 nan 0.000 0.460 511 V N -0.318 119.514 119.914 -0.137 0.000 2.919 511 V HA 0.888 5.014 4.120 0.010 0.000 0.316 511 V C -0.207 175.792 176.094 -0.159 0.000 1.077 511 V CA -0.515 61.556 62.300 -0.382 0.000 0.977 511 V CB 1.301 32.627 31.823 -0.827 0.000 1.039 511 V HN 1.210 nan 8.190 nan 0.000 0.441 512 S N 2.893 118.500 115.700 -0.155 0.000 2.541 512 S HA 0.754 5.229 4.470 0.010 0.000 0.283 512 S C -0.569 173.996 174.600 -0.058 0.000 1.196 512 S CA -0.731 57.453 58.200 -0.027 0.000 1.062 512 S CB 0.930 64.113 63.200 -0.029 0.000 1.009 512 S HN 0.771 nan 8.310 nan 0.000 0.502 513 L N 3.814 125.048 121.223 0.019 0.000 2.295 513 L HA 0.542 4.888 4.340 0.010 0.000 0.281 513 L C -0.458 176.326 176.870 -0.143 0.000 1.018 513 L CA -0.442 54.438 54.840 0.068 0.000 0.841 513 L CB 0.207 42.408 42.059 0.236 0.000 1.218 513 L HN 0.945 nan 8.230 nan 0.000 0.424 514 N N 2.042 120.583 118.700 -0.266 0.000 3.364 514 N HA 0.337 5.083 4.740 0.010 0.000 0.294 514 N C 0.256 175.208 175.510 -0.929 0.000 1.562 514 N CA -0.988 51.619 53.050 -0.740 0.000 0.862 514 N CB 0.617 38.861 38.487 -0.406 0.000 1.691 514 N HN 0.186 nan 8.380 nan 0.000 0.572 515 L N -0.945 119.753 121.223 -0.876 0.000 2.191 515 L HA 0.022 4.368 4.340 0.010 0.000 0.212 515 L C 0.585 177.284 176.870 -0.285 0.000 1.103 515 L CA 1.106 55.571 54.840 -0.625 0.000 0.769 515 L CB -0.540 41.236 42.059 -0.471 0.000 0.908 515 L HN 0.404 nan 8.230 nan 0.000 0.438 516 K N 0.122 120.390 120.400 -0.220 0.000 2.202 516 K HA 0.217 4.543 4.320 0.010 0.000 0.264 516 K C -2.151 174.413 176.600 -0.059 0.000 1.010 516 K CA -1.785 54.436 56.287 -0.111 0.000 0.940 516 K CB 0.123 32.567 32.500 -0.093 0.000 0.983 516 K HN -0.199 nan 8.250 nan 0.000 0.475 517 P HA -0.068 nan 4.420 nan 0.000 0.268 517 P C -0.381 176.927 177.300 0.014 0.000 1.208 517 P CA -0.052 63.065 63.100 0.027 0.000 0.777 517 P CB 0.373 32.089 31.700 0.027 0.000 0.875 518 L N 1.567 122.816 121.223 0.044 0.000 2.720 518 L HA -0.130 4.216 4.340 0.010 0.000 0.289 518 L C 1.113 177.953 176.870 -0.051 0.000 1.232 518 L CA 1.050 55.876 54.840 -0.024 0.000 0.915 518 L CB -0.301 41.747 42.059 -0.018 0.000 1.184 518 L HN 0.525 nan 8.230 nan 0.000 0.491 519 E N 3.259 123.402 120.200 -0.095 0.000 2.187 519 E HA 0.404 4.760 4.350 0.010 0.000 0.268 519 E C -1.326 175.180 176.600 -0.157 0.000 0.896 519 E CA -0.803 55.539 56.400 -0.098 0.000 0.766 519 E CB 1.954 31.604 29.700 -0.084 0.000 1.142 519 E HN 0.311 nan 8.360 nan 0.000 0.408 520 V N 5.237 125.071 119.914 -0.133 0.000 2.406 520 V HA 0.387 4.513 4.120 0.010 0.000 0.272 520 V C 0.290 176.246 176.094 -0.229 0.000 1.043 520 V CA -0.283 61.912 62.300 -0.174 0.000 0.915 520 V CB 0.889 32.667 31.823 -0.076 0.000 0.988 520 V HN 0.677 nan 8.190 nan 0.000 0.466 521 R N 4.034 124.262 120.500 -0.453 0.000 2.873 521 R HA 0.733 5.079 4.340 0.010 0.000 0.264 521 R C -0.676 175.394 176.300 -0.384 0.000 1.026 521 R CA -0.992 54.810 56.100 -0.496 0.000 1.002 521 R CB 2.282 32.146 30.300 -0.726 0.000 1.174 521 R HN 0.582 nan 8.270 nan 0.000 0.488 522 R N 0.119 120.591 120.500 -0.046 0.000 2.534 522 R HA 0.447 4.793 4.340 0.010 0.000 0.301 522 R C -0.724 175.775 176.300 0.332 0.000 0.961 522 R CA -0.535 55.658 56.100 0.154 0.000 0.871 522 R CB 2.170 32.518 30.300 0.080 0.000 1.170 522 R HN 0.906 nan 8.270 nan 0.000 0.446 523 G N 2.472 111.512 108.800 0.401 0.000 3.450 523 G HA2 -0.211 3.755 3.960 0.010 0.000 0.668 523 G HA3 -0.211 3.755 3.960 0.010 0.000 0.668 523 G C -0.936 174.134 174.900 0.285 0.000 0.941 523 G CA -0.937 44.355 45.100 0.319 0.000 0.766 523 G HN 0.344 nan 8.290 nan 0.000 0.451 524 L N 4.377 125.673 121.223 0.121 0.000 2.401 524 L HA 0.404 4.750 4.340 0.010 0.000 0.283 524 L C 1.666 178.538 176.870 0.003 0.000 1.151 524 L CA -0.200 54.555 54.840 -0.141 0.000 0.942 524 L CB -0.396 41.530 42.059 -0.221 0.000 1.283 524 L HN 0.708 nan 8.230 nan 0.000 0.442 525 R N 2.760 123.292 120.500 0.053 0.000 3.109 525 R HA -0.274 4.072 4.340 0.010 0.000 0.241 525 R C 1.309 177.695 176.300 0.145 0.000 0.882 525 R CA 0.682 56.855 56.100 0.121 0.000 0.604 525 R CB -1.787 28.596 30.300 0.138 0.000 1.040 525 R HN 0.727 nan 8.270 nan 0.000 0.480 526 A N 0.640 123.546 122.820 0.143 0.000 1.902 526 A HA -0.218 4.107 4.320 0.010 0.000 0.217 526 A C 2.057 179.729 177.584 0.147 0.000 1.181 526 A CA 1.067 53.190 52.037 0.144 0.000 0.623 526 A CB -0.052 19.030 19.000 0.137 0.000 0.818 526 A HN 0.405 nan 8.150 nan 0.000 0.443 527 Q N -0.562 119.325 119.800 0.145 0.000 2.016 527 Q HA -0.104 4.242 4.340 0.010 0.000 0.200 527 Q C 2.276 178.391 176.000 0.192 0.000 0.978 527 Q CA 2.113 58.006 55.803 0.149 0.000 0.833 527 Q CB -1.263 27.552 28.738 0.127 0.000 0.895 527 Q HN 0.629 nan 8.270 nan 0.000 0.427 528 T N 0.703 115.395 114.554 0.230 0.000 2.759 528 T HA -0.145 4.211 4.350 0.010 0.000 0.269 528 T C 2.029 176.936 174.700 0.346 0.000 1.042 528 T CA 1.292 63.553 62.100 0.269 0.000 1.140 528 T CB -0.311 68.765 68.868 0.347 0.000 0.864 528 T HN 0.316 nan 8.240 nan 0.000 0.455 529 c N 1.446 120.233 118.600 0.311 0.000 2.446 529 c HA 0.228 4.804 4.570 0.010 0.000 0.279 529 c C 3.145 177.386 174.090 0.252 0.000 1.366 529 c CA -0.017 56.506 56.329 0.322 0.000 1.763 529 c CB -1.396 41.241 42.510 0.212 0.000 1.929 529 c HN 0.647 nan 8.230 nan 0.000 0.509 530 A N 0.188 123.125 122.820 0.195 0.000 1.940 530 A HA -0.214 4.112 4.320 0.010 0.000 0.219 530 A C 1.870 179.544 177.584 0.151 0.000 1.176 530 A CA 1.688 53.817 52.037 0.154 0.000 0.631 530 A CB -0.779 18.300 19.000 0.132 0.000 0.814 530 A HN 0.571 nan 8.150 nan 0.000 0.446 531 F N -0.875 119.054 119.950 -0.035 0.000 2.075 531 F HA -0.162 4.370 4.527 0.008 0.000 0.297 531 F C 1.943 177.669 175.800 -0.123 0.000 1.113 531 F CA 1.805 59.697 58.000 -0.179 0.000 1.218 531 F CB -0.517 38.118 39.000 -0.609 0.000 0.984 531 F HN 0.374 nan 8.300 nan 0.000 0.472 532 W N 0.611 121.884 121.300 -0.044 0.000 2.409 532 W HA -0.112 4.552 4.660 0.007 0.000 0.299 532 W C 2.197 178.656 176.519 -0.099 0.000 1.203 532 W CA 1.022 58.298 57.345 -0.115 0.000 1.298 532 W CB -0.555 28.962 29.460 0.095 0.000 1.127 532 W HN -0.032 nan 8.180 nan 0.000 0.528 533 N N -0.370 118.441 118.700 0.185 0.000 2.395 533 N HA 0.037 4.783 4.740 0.010 0.000 0.175 533 N C 1.508 177.046 175.510 0.046 0.000 1.029 533 N CA 0.900 54.014 53.050 0.106 0.000 0.897 533 N CB -0.231 38.323 38.487 0.111 0.000 0.991 533 N HN 0.229 nan 8.380 nan 0.000 0.441 534 R N -1.093 119.434 120.500 0.045 0.000 2.140 534 R HA 0.230 4.576 4.340 0.010 0.000 0.200 534 R C 1.536 177.851 176.300 0.025 0.000 1.069 534 R CA 0.080 56.205 56.100 0.042 0.000 1.088 534 R CB -0.224 30.124 30.300 0.080 0.000 1.012 534 R HN 0.040 nan 8.270 nan 0.000 0.500 535 F N 1.475 121.333 119.950 -0.154 0.000 2.147 535 F HA 0.028 4.561 4.527 0.010 0.000 0.291 535 F C 1.934 177.565 175.800 -0.282 0.000 1.093 535 F CA 0.967 58.849 58.000 -0.197 0.000 1.263 535 F CB -0.219 38.670 39.000 -0.184 0.000 1.036 535 F HN -0.126 nan 8.300 nan 0.000 0.481 536 L N 1.135 122.035 121.223 -0.538 0.000 2.042 536 L HA -0.137 4.208 4.340 0.010 0.000 0.210 536 L C -0.584 176.048 176.870 -0.397 0.000 1.076 536 L CA 2.140 56.617 54.840 -0.605 0.000 0.749 536 L CB -2.173 39.519 42.059 -0.611 0.000 0.893 536 L HN 0.098 nan 8.230 nan 0.000 0.432 537 P HA -0.187 nan 4.420 nan 0.000 0.215 537 P C 1.400 178.566 177.300 -0.224 0.000 1.153 537 P CA 1.552 64.547 63.100 -0.176 0.000 0.853 537 P CB -0.035 31.601 31.700 -0.106 0.000 0.788 538 K N -1.073 119.146 120.400 -0.303 0.000 2.211 538 K HA -0.059 4.266 4.320 0.010 0.000 0.203 538 K C 0.920 177.299 176.600 -0.367 0.000 1.050 538 K CA 0.533 56.640 56.287 -0.299 0.000 0.945 538 K CB -0.577 31.762 32.500 -0.268 0.000 0.732 538 K HN 0.076 nan 8.250 nan 0.000 0.451 539 L N 1.707 122.603 121.223 -0.546 0.000 2.821 539 L HA 0.047 4.392 4.340 0.010 0.000 0.239 539 L C 0.475 177.207 176.870 -0.230 0.000 1.391 539 L CA 0.483 55.079 54.840 -0.406 0.000 1.231 539 L CB -0.282 41.472 42.059 -0.507 0.000 1.598 539 L HN 0.114 nan 8.230 nan 0.000 0.428 540 L N -1.967 119.149 121.223 -0.177 0.000 1.967 540 L HA 0.196 4.541 4.340 0.010 0.000 0.222 540 L C 1.162 177.978 176.870 -0.089 0.000 1.189 540 L CA 0.659 55.431 54.840 -0.114 0.000 1.303 540 L CB -0.039 41.956 42.059 -0.106 0.000 2.607 540 L HN 0.019 nan 8.230 nan 0.000 0.524 541 S N 1.842 117.482 115.700 -0.100 0.000 3.120 541 S HA 0.715 5.191 4.470 0.010 0.000 0.259 541 S C 0.360 174.918 174.600 -0.070 0.000 1.191 541 S CA 0.564 58.719 58.200 -0.075 0.000 1.257 541 S CB -1.121 62.035 63.200 -0.074 0.000 0.964 541 S HN 0.655 nan 8.310 nan 0.000 0.473 542 A N 0.000 122.779 122.820 -0.068 0.000 2.254 542 A HA 0.000 4.326 4.320 0.010 0.000 0.244 542 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 542 A CB 0.000 18.965 19.000 -0.058 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486