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 3dl4_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GEXAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPXX XXXGNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.614 176.600 0.023 0.000 1.382 1 E CA 0.000 56.418 56.400 0.030 0.000 0.976 1 E CB 0.000 29.720 29.700 0.033 0.000 0.812 2 G N 0.217 109.030 108.800 0.022 0.000 3.465 2 G HA2 -0.178 3.788 3.960 0.010 0.000 0.196 2 G HA3 -0.178 3.788 3.960 0.010 0.000 0.196 2 G C 0.922 175.832 174.900 0.017 0.000 1.170 2 G CA 0.166 45.276 45.100 0.017 0.000 0.887 2 G HN 0.351 nan 8.290 nan 0.000 0.444 3 R N 1.815 122.325 120.500 0.018 0.000 2.432 3 R HA 0.372 4.718 4.340 0.010 0.000 0.260 3 R C 0.699 177.011 176.300 0.020 0.000 0.935 3 R CA 0.754 56.864 56.100 0.017 0.000 1.080 3 R CB 0.230 30.538 30.300 0.014 0.000 1.155 3 R HN 0.730 nan 8.270 nan 0.000 0.531 4 E N -1.373 118.842 120.200 0.025 0.000 2.316 4 E HA 0.200 4.556 4.350 0.010 0.000 0.258 4 E C -1.011 175.613 176.600 0.040 0.000 0.952 4 E CA -1.026 55.392 56.400 0.031 0.000 0.818 4 E CB 0.599 30.318 29.700 0.031 0.000 1.260 4 E HN -0.209 nan 8.360 nan 0.000 0.416 5 D N 1.507 121.938 120.400 0.052 0.000 2.412 5 D HA 0.019 4.665 4.640 0.010 0.000 0.257 5 D C -1.279 175.060 176.300 0.065 0.000 1.217 5 D CA -1.891 52.153 54.000 0.074 0.000 0.897 5 D CB 1.012 41.879 40.800 0.112 0.000 1.132 5 D HN 0.183 nan 8.370 nan 0.000 0.493 6 P HA -0.157 nan 4.420 nan 0.000 0.219 6 P C 1.041 178.353 177.300 0.020 0.000 1.146 6 P CA 0.811 63.927 63.100 0.026 0.000 0.808 6 P CB 0.394 32.098 31.700 0.006 0.000 0.779 7 Q N -0.940 118.862 119.800 0.002 0.000 2.472 7 Q HA 0.089 4.436 4.340 0.010 0.000 0.208 7 Q C 1.784 177.854 176.000 0.117 0.000 0.958 7 Q CA 0.642 56.425 55.803 -0.033 0.000 0.932 7 Q CB -0.045 28.506 28.738 -0.311 0.000 1.007 7 Q HN 0.408 nan 8.270 nan 0.000 0.508 8 L N -0.059 121.254 121.223 0.150 0.000 2.640 8 L HA 0.218 4.564 4.340 0.010 0.000 0.230 8 L C 0.174 177.231 176.870 0.313 0.000 1.123 8 L CA 0.006 54.969 54.840 0.204 0.000 0.900 8 L CB 0.395 42.500 42.059 0.075 0.000 1.146 8 L HN -0.023 nan 8.230 nan 0.000 0.484 9 L N 0.858 122.206 121.223 0.208 0.000 2.272 9 L HA 0.505 4.851 4.340 0.010 0.000 0.289 9 L C -0.634 176.291 176.870 0.091 0.000 1.032 9 L CA -0.407 54.535 54.840 0.171 0.000 0.810 9 L CB 1.715 43.832 42.059 0.096 0.000 1.205 9 L HN -0.240 nan 8.230 nan 0.000 0.422 10 V N 3.278 123.221 119.914 0.047 0.000 2.876 10 V HA 0.508 4.634 4.120 0.010 0.000 0.312 10 V C -0.365 175.654 176.094 -0.124 0.000 1.085 10 V CA -0.785 61.394 62.300 -0.200 0.000 0.945 10 V CB 2.696 34.124 31.823 -0.660 0.000 1.017 10 V HN 0.727 nan 8.190 nan 0.000 0.428 11 R N 2.255 122.649 120.500 -0.175 0.000 2.393 11 R HA 0.801 5.147 4.340 0.010 0.000 0.310 11 R C -0.870 175.336 176.300 -0.156 0.000 0.968 11 R CA -0.334 55.700 56.100 -0.109 0.000 0.867 11 R CB 1.761 31.997 30.300 -0.107 0.000 1.124 11 R HN 0.706 nan 8.270 nan 0.000 0.450 12 V N 1.851 121.729 119.914 -0.060 0.000 3.166 12 V HA 0.501 4.627 4.120 0.010 0.000 0.317 12 V C 1.090 177.103 176.094 -0.135 0.000 1.136 12 V CA -1.021 61.234 62.300 -0.075 0.000 1.035 12 V CB 1.650 33.554 31.823 0.134 0.000 1.110 12 V HN 0.857 nan 8.190 nan 0.000 0.450 13 R N 1.352 121.756 120.500 -0.160 0.000 2.170 13 R HA -0.018 4.328 4.340 0.010 0.000 0.242 13 R C 1.603 177.778 176.300 -0.210 0.000 1.145 13 R CA 2.341 58.344 56.100 -0.162 0.000 0.984 13 R CB -1.010 29.206 30.300 -0.140 0.000 0.869 13 R HN 1.047 nan 8.270 nan 0.000 0.455 14 G N -2.220 106.404 108.800 -0.293 0.000 3.020 14 G HA2 0.454 4.420 3.960 0.010 0.000 0.217 14 G HA3 0.454 4.420 3.960 0.010 0.000 0.217 14 G C 0.291 174.304 174.900 -1.479 0.000 1.144 14 G CA 0.202 44.914 45.100 -0.648 0.000 0.760 14 G HN 0.691 nan 8.290 nan 0.000 0.548 15 G N -0.829 107.332 108.800 -1.064 0.000 2.332 15 G HA2 0.193 4.159 3.960 0.010 0.000 0.265 15 G HA3 0.193 4.159 3.960 0.010 0.000 0.265 15 G C -1.531 173.281 174.900 -0.146 0.000 1.329 15 G CA -0.895 43.653 45.100 -0.921 0.000 0.949 15 G HN 0.212 nan 8.290 nan 0.000 0.476 16 Q N -0.247 119.673 119.800 0.200 0.000 2.256 16 Q HA 0.703 5.049 4.340 0.010 0.000 0.257 16 Q C -0.765 175.520 176.000 0.475 0.000 0.936 16 Q CA -0.412 55.565 55.803 0.291 0.000 0.903 16 Q CB 2.002 30.851 28.738 0.184 0.000 1.263 16 Q HN 0.443 nan 8.270 nan 0.000 0.440 17 L N 1.539 122.968 121.223 0.344 0.000 2.381 17 L HA 0.612 4.958 4.340 0.010 0.000 0.268 17 L C -0.404 176.666 176.870 0.333 0.000 0.997 17 L CA -0.788 54.268 54.840 0.360 0.000 0.818 17 L CB 2.182 44.504 42.059 0.439 0.000 1.310 17 L HN 0.377 nan 8.230 nan 0.000 0.416 18 R N 0.738 121.399 120.500 0.269 0.000 2.343 18 R HA 0.615 4.961 4.340 0.010 0.000 0.320 18 R C -0.170 176.209 176.300 0.131 0.000 0.956 18 R CA -0.308 55.913 56.100 0.202 0.000 0.836 18 R CB 1.687 32.047 30.300 0.099 0.000 1.151 18 R HN 0.874 nan 8.270 nan 0.000 0.450 19 G N 3.237 112.022 108.800 -0.024 0.000 2.532 19 G HA2 0.447 4.413 3.960 0.010 0.000 0.291 19 G HA3 0.447 4.413 3.960 0.010 0.000 0.291 19 G C -0.865 173.805 174.900 -0.383 0.000 1.349 19 G CA -0.610 44.117 45.100 -0.621 0.000 1.038 19 G HN 0.571 nan 8.290 nan 0.000 0.518 20 I N -0.971 119.335 120.570 -0.439 0.000 2.730 20 I HA 0.504 4.680 4.170 0.010 0.000 0.298 20 I C -0.137 175.853 176.117 -0.212 0.000 1.089 20 I CA -1.151 59.998 61.300 -0.252 0.000 1.041 20 I CB 2.130 39.996 38.000 -0.223 0.000 1.235 20 I HN 0.409 nan 8.210 nan 0.000 0.423 21 R N 7.484 127.897 120.500 -0.145 0.000 2.265 21 R HA 0.577 4.923 4.340 0.010 0.000 0.314 21 R C -1.794 174.395 176.300 -0.184 0.000 1.053 21 R CA -0.342 55.645 56.100 -0.189 0.000 0.931 21 R CB 0.701 30.842 30.300 -0.266 0.000 1.024 21 R HN 0.642 nan 8.270 nan 0.000 0.457 22 L N 3.890 125.016 121.223 -0.161 0.000 2.341 22 L HA 0.479 4.825 4.340 0.010 0.000 0.267 22 L C -0.219 176.576 176.870 -0.125 0.000 1.009 22 L CA -1.089 53.683 54.840 -0.114 0.000 0.819 22 L CB 2.307 44.337 42.059 -0.047 0.000 1.323 22 L HN 0.509 nan 8.230 nan 0.000 0.425 23 K N 1.755 122.091 120.400 -0.105 0.000 2.276 23 K HA 0.597 4.923 4.320 0.010 0.000 0.285 23 K C -0.401 176.141 176.600 -0.096 0.000 1.062 23 K CA -0.299 55.932 56.287 -0.092 0.000 0.918 23 K CB 1.592 34.053 32.500 -0.066 0.000 1.055 23 K HN 0.638 nan 8.250 nan 0.000 0.477 24 A N 4.479 127.247 122.820 -0.087 0.000 2.269 24 A HA 0.435 4.761 4.320 0.010 0.000 0.327 24 A C -1.775 175.820 177.584 0.018 0.000 1.112 24 A CA -1.653 50.337 52.037 -0.078 0.000 0.865 24 A CB 0.353 19.297 19.000 -0.093 0.000 1.227 24 A HN 0.442 nan 8.150 nan 0.000 0.498 25 P HA -0.166 nan 4.420 nan 0.000 0.217 25 P C 1.181 178.513 177.300 0.053 0.000 1.162 25 P CA 2.332 65.488 63.100 0.093 0.000 0.901 25 P CB 0.161 31.942 31.700 0.136 0.000 0.793 26 G N -2.490 106.344 108.800 0.056 0.000 3.434 26 G HA2 0.492 4.458 3.960 0.010 0.000 0.258 26 G HA3 0.492 4.458 3.960 0.010 0.000 0.258 26 G C 0.388 175.305 174.900 0.029 0.000 1.128 26 G CA 0.365 45.489 45.100 0.039 0.000 0.792 26 G HN 0.627 nan 8.290 nan 0.000 0.539 27 G N -0.203 108.606 108.800 0.015 0.000 2.369 27 G HA2 0.311 4.277 3.960 0.010 0.000 0.295 27 G HA3 0.311 4.277 3.960 0.010 0.000 0.295 27 G C -3.391 171.492 174.900 -0.028 0.000 1.298 27 G CA -0.715 44.386 45.100 0.001 0.000 0.940 27 G HN 0.076 nan 8.290 nan 0.000 0.536 28 P HA 0.557 nan 4.420 nan 0.000 0.281 28 P C -0.074 177.200 177.300 -0.043 0.000 1.249 28 P CA -0.274 62.728 63.100 -0.164 0.000 0.810 28 P CB 1.722 33.157 31.700 -0.442 0.000 1.008 29 V N -1.729 118.162 119.914 -0.037 0.000 3.040 29 V HA 0.634 4.760 4.120 0.010 0.000 0.312 29 V C -0.262 175.923 176.094 0.151 0.000 1.115 29 V CA -0.884 61.491 62.300 0.124 0.000 0.998 29 V CB 1.765 33.673 31.823 0.142 0.000 1.042 29 V HN 0.443 nan 8.190 nan 0.000 0.433 30 S N 1.745 117.609 115.700 0.273 0.000 2.499 30 S HA 0.830 5.306 4.470 0.010 0.000 0.279 30 S C 0.001 174.624 174.600 0.040 0.000 1.219 30 S CA 0.112 58.421 58.200 0.181 0.000 1.062 30 S CB 0.958 64.360 63.200 0.338 0.000 0.978 30 S HN 1.579 nan 8.310 nan 0.000 0.489 31 A N 3.603 126.255 122.820 -0.280 0.000 2.343 31 A HA 0.775 5.101 4.320 0.010 0.000 0.308 31 A C -1.233 175.940 177.584 -0.686 0.000 1.092 31 A CA -0.585 51.170 52.037 -0.470 0.000 0.751 31 A CB 0.481 19.163 19.000 -0.530 0.000 1.203 31 A HN 0.713 nan 8.150 nan 0.000 0.452 32 F N 2.812 122.603 119.950 -0.265 0.000 2.347 32 F HA 0.511 5.044 4.527 0.010 0.000 0.366 32 F C -0.108 175.509 175.800 -0.305 0.000 1.107 32 F CA -0.338 57.572 58.000 -0.150 0.000 1.058 32 F CB 1.343 40.398 39.000 0.092 0.000 1.236 32 F HN 0.330 nan 8.300 nan 0.000 0.456 33 L N 2.492 123.578 121.223 -0.228 0.000 2.329 33 L HA 0.677 5.023 4.340 0.010 0.000 0.279 33 L C 0.786 177.566 176.870 -0.150 0.000 1.014 33 L CA -0.999 53.646 54.840 -0.324 0.000 0.814 33 L CB 1.790 43.472 42.059 -0.627 0.000 1.257 33 L HN 0.854 nan 8.230 nan 0.000 0.424 34 G N 3.219 111.991 108.800 -0.047 0.000 2.225 34 G HA2 -0.255 3.711 3.960 0.010 0.000 0.264 34 G HA3 -0.255 3.711 3.960 0.010 0.000 0.264 34 G C -0.126 174.841 174.900 0.113 0.000 1.060 34 G CA -0.345 44.766 45.100 0.019 0.000 0.833 34 G HN 0.494 nan 8.290 nan 0.000 0.498 35 I N 2.214 122.832 120.570 0.080 0.000 2.452 35 I HA 0.224 4.400 4.170 0.010 0.000 0.287 35 I C -1.328 174.821 176.117 0.054 0.000 1.079 35 I CA -1.934 59.393 61.300 0.045 0.000 1.387 35 I CB 0.865 38.846 38.000 -0.032 0.000 1.404 35 I HN -0.002 nan 8.210 nan 0.000 0.522 36 P HA 0.068 nan 4.420 nan 0.000 0.280 36 P C -0.251 176.986 177.300 -0.104 0.000 1.244 36 P CA -0.041 62.890 63.100 -0.283 0.000 0.784 36 P CB 0.606 32.098 31.700 -0.347 0.000 0.913 37 F N 0.489 120.285 119.950 -0.256 0.000 2.706 37 F HA 0.721 5.255 4.527 0.011 0.000 0.313 37 F C 0.120 175.909 175.800 -0.018 0.000 1.096 37 F CA -0.668 57.259 58.000 -0.122 0.000 1.219 37 F CB 0.219 39.063 39.000 -0.260 0.000 1.051 37 F HN 0.313 nan 8.300 nan 0.000 0.568 38 A N 0.150 122.677 122.820 -0.487 0.000 2.566 38 A HA 0.605 4.931 4.320 0.010 0.000 0.292 38 A C -0.822 176.602 177.584 -0.266 0.000 1.112 38 A CA -0.775 51.066 52.037 -0.328 0.000 0.707 38 A CB 1.082 19.789 19.000 -0.488 0.000 1.302 38 A HN 0.068 nan 8.150 nan 0.000 0.409 39 E N 0.994 121.110 120.200 -0.140 0.000 2.373 39 E HA 0.268 4.624 4.350 0.010 0.000 0.267 39 E C -2.345 174.157 176.600 -0.163 0.000 1.032 39 E CA -1.408 54.924 56.400 -0.112 0.000 0.889 39 E CB 0.153 29.825 29.700 -0.046 0.000 0.984 39 E HN 0.232 nan 8.360 nan 0.000 0.425 40 P HA 0.017 nan 4.420 nan 0.000 0.262 40 P C -2.227 175.006 177.300 -0.111 0.000 1.199 40 P CA -0.795 62.219 63.100 -0.142 0.000 0.763 40 P CB -0.016 31.637 31.700 -0.079 0.000 0.790 41 P HA 0.000 nan 4.420 nan 0.000 0.225 41 P C -0.133 177.106 177.300 -0.101 0.000 1.768 41 P CA 0.161 63.202 63.100 -0.098 0.000 0.943 41 P CB -0.145 31.500 31.700 -0.092 0.000 1.936 42 V N -2.731 117.129 119.914 -0.089 0.000 3.234 42 V HA 0.894 5.020 4.120 0.010 0.000 0.317 42 V C 1.114 177.160 176.094 -0.081 0.000 1.147 42 V CA 0.170 62.414 62.300 -0.093 0.000 1.037 42 V CB 0.687 32.465 31.823 -0.074 0.000 1.148 42 V HN 0.509 nan 8.190 nan 0.000 0.455 43 G N 1.837 110.589 108.800 -0.079 0.000 2.634 43 G HA2 -0.373 3.593 3.960 0.010 0.000 0.318 43 G HA3 -0.373 3.593 3.960 0.010 0.000 0.318 43 G C 1.232 176.095 174.900 -0.062 0.000 1.207 43 G CA 1.973 47.037 45.100 -0.059 0.000 0.987 43 G HN 2.356 nan 8.290 nan 0.000 0.547 44 S N 0.410 116.087 115.700 -0.038 0.000 2.607 44 S HA 0.146 4.622 4.470 0.010 0.000 0.224 44 S C 1.867 176.450 174.600 -0.029 0.000 0.969 44 S CA 1.321 59.507 58.200 -0.023 0.000 0.927 44 S CB 0.107 63.304 63.200 -0.006 0.000 0.772 44 S HN 0.671 nan 8.310 nan 0.000 0.533 45 R N 0.896 121.364 120.500 -0.052 0.000 2.300 45 R HA 0.237 4.583 4.340 0.010 0.000 0.199 45 R C 0.942 177.187 176.300 -0.092 0.000 0.920 45 R CA -0.230 55.840 56.100 -0.051 0.000 1.046 45 R CB 0.061 30.332 30.300 -0.049 0.000 0.984 45 R HN 0.374 nan 8.270 nan 0.000 0.493 46 R N 0.981 121.371 120.500 -0.185 0.000 2.522 46 R HA -0.120 4.226 4.340 0.010 0.000 0.284 46 R C -0.470 175.565 176.300 -0.443 0.000 1.032 46 R CA 0.590 56.443 56.100 -0.413 0.000 1.049 46 R CB 0.136 30.065 30.300 -0.619 0.000 0.956 46 R HN 0.115 nan 8.270 nan 0.000 0.422 47 F N -0.598 119.351 119.950 -0.003 0.000 2.619 47 F HA -0.275 4.258 4.527 0.010 0.000 0.425 47 F C -0.057 175.719 175.800 -0.040 0.000 0.575 47 F CA 0.455 58.426 58.000 -0.047 0.000 1.289 47 F CB -1.459 37.501 39.000 -0.066 0.000 1.859 47 F HN 0.437 nan 8.300 nan 0.000 0.280 48 M N 1.022 120.677 119.600 0.091 0.000 2.342 48 M HA 0.436 4.922 4.480 0.010 0.000 0.332 48 M C -1.817 174.503 176.300 0.034 0.000 1.166 48 M CA -2.029 53.306 55.300 0.059 0.000 1.086 48 M CB 0.274 32.897 32.600 0.037 0.000 1.541 48 M HN -0.344 nan 8.290 nan 0.000 0.462 49 P HA 0.055 nan 4.420 nan 0.000 0.269 49 P C -2.408 174.914 177.300 0.037 0.000 1.211 49 P CA -0.310 62.817 63.100 0.046 0.000 0.781 49 P CB -0.392 31.343 31.700 0.059 0.000 0.877 50 P HA 0.187 nan 4.420 nan 0.000 0.278 50 P C -0.709 176.617 177.300 0.044 0.000 1.238 50 P CA 0.004 63.124 63.100 0.032 0.000 0.794 50 P CB 0.989 32.729 31.700 0.066 0.000 0.955 51 E N 2.497 122.708 120.200 0.019 0.000 2.191 51 E HA 0.361 4.717 4.350 0.010 0.000 0.274 51 E C -2.306 174.320 176.600 0.043 0.000 0.948 51 E CA -2.288 54.132 56.400 0.034 0.000 0.802 51 E CB 0.750 30.462 29.700 0.019 0.000 1.137 51 E HN 0.313 nan 8.360 nan 0.000 0.397 52 P HA -0.077 nan 4.420 nan 0.000 0.266 52 P C -0.631 176.726 177.300 0.096 0.000 1.195 52 P CA -0.017 63.154 63.100 0.119 0.000 0.768 52 P CB 0.387 32.161 31.700 0.125 0.000 0.838 53 K N 4.089 124.564 120.400 0.124 0.000 2.419 53 K HA 0.015 4.341 4.320 0.010 0.000 0.282 53 K C -0.130 176.571 176.600 0.169 0.000 1.056 53 K CA 0.272 56.636 56.287 0.129 0.000 1.035 53 K CB -0.205 32.404 32.500 0.182 0.000 0.921 53 K HN 0.177 nan 8.250 nan 0.000 0.472 54 R N 5.371 125.947 120.500 0.126 0.000 2.583 54 R HA 0.066 4.412 4.340 0.010 0.000 0.274 54 R C -2.051 174.347 176.300 0.162 0.000 0.998 54 R CA -0.874 55.293 56.100 0.112 0.000 1.081 54 R CB -0.157 30.194 30.300 0.085 0.000 0.940 54 R HN 0.581 nan 8.270 nan 0.000 0.413 55 P HA -0.056 nan 4.420 nan 0.000 0.267 55 P C -1.157 176.181 177.300 0.063 0.000 1.201 55 P CA 0.169 63.218 63.100 -0.085 0.000 0.775 55 P CB 0.323 31.924 31.700 -0.166 0.000 0.854 56 W N 0.444 121.776 121.300 0.052 0.000 2.850 56 W HA 0.708 5.373 4.660 0.010 0.000 0.349 56 W C -0.773 175.771 176.519 0.042 0.000 1.133 56 W CA -0.963 56.410 57.345 0.047 0.000 1.117 56 W CB 0.070 29.566 29.460 0.060 0.000 1.442 56 W HN 0.373 nan 8.180 nan 0.000 0.575 57 S N 1.180 117.061 115.700 0.302 0.000 2.651 57 S HA 0.869 5.345 4.470 0.010 0.000 0.291 57 S C 0.336 175.104 174.600 0.281 0.000 1.141 57 S CA -0.010 58.301 58.200 0.185 0.000 1.027 57 S CB 0.976 64.240 63.200 0.106 0.000 1.043 57 S HN 2.229 nan 8.310 nan 0.000 0.530 58 G N -0.001 108.912 108.800 0.188 0.000 2.693 58 G HA2 -0.118 3.848 3.960 0.010 0.000 0.226 58 G HA3 -0.118 3.848 3.960 0.010 0.000 0.226 58 G C -0.766 174.291 174.900 0.261 0.000 1.354 58 G CA -0.428 44.780 45.100 0.181 0.000 0.873 58 G HN 1.661 nan 8.290 nan 0.000 0.562 59 V N 0.923 120.956 119.914 0.198 0.000 2.364 59 V HA 0.516 4.642 4.120 0.010 0.000 0.272 59 V C 0.983 177.184 176.094 0.177 0.000 1.036 59 V CA -0.257 62.173 62.300 0.217 0.000 0.880 59 V CB 1.113 33.022 31.823 0.143 0.000 0.991 59 V HN 0.810 nan 8.190 nan 0.000 0.460 60 L N 4.657 126.003 121.223 0.205 0.000 2.367 60 L HA 0.311 4.657 4.340 0.010 0.000 0.275 60 L C 0.618 177.491 176.870 0.006 0.000 1.129 60 L CA 0.050 54.859 54.840 -0.052 0.000 0.839 60 L CB 0.668 42.432 42.059 -0.493 0.000 1.133 60 L HN 0.719 nan 8.230 nan 0.000 0.453 61 D N 4.992 125.369 120.400 -0.038 0.000 2.325 61 D HA 0.177 4.824 4.640 0.010 0.000 0.251 61 D C -0.479 175.792 176.300 -0.048 0.000 1.196 61 D CA -0.063 53.922 54.000 -0.025 0.000 0.866 61 D CB 1.446 42.220 40.800 -0.043 0.000 1.101 61 D HN 0.669 nan 8.370 nan 0.000 0.476 62 A N 3.267 126.081 122.820 -0.010 0.000 3.113 62 A HA 0.224 4.550 4.320 0.010 0.000 0.307 62 A C 0.882 178.392 177.584 -0.124 0.000 1.025 62 A CA -0.498 51.524 52.037 -0.025 0.000 1.012 62 A CB -0.084 18.994 19.000 0.129 0.000 1.085 62 A HN 0.565 nan 8.150 nan 0.000 0.519 63 T N -3.169 111.291 114.554 -0.157 0.000 3.044 63 T HA 0.287 4.643 4.350 0.010 0.000 0.260 63 T C 0.618 175.166 174.700 -0.253 0.000 1.019 63 T CA 0.713 62.690 62.100 -0.206 0.000 0.921 63 T CB -0.196 68.583 68.868 -0.148 0.000 1.053 63 T HN 0.675 nan 8.240 nan 0.000 0.533 64 T N -0.504 113.897 114.554 -0.255 0.000 2.883 64 T HA 0.693 5.049 4.350 0.010 0.000 0.301 64 T C -0.784 173.750 174.700 -0.276 0.000 1.158 64 T CA -0.917 61.018 62.100 -0.275 0.000 1.007 64 T CB 0.993 69.772 68.868 -0.149 0.000 1.186 64 T HN -0.013 nan 8.240 nan 0.000 0.499 65 F N 1.829 121.719 119.950 -0.101 0.000 2.553 65 F HA 0.324 4.858 4.527 0.010 0.000 0.356 65 F C 1.479 177.182 175.800 -0.162 0.000 1.142 65 F CA -0.080 57.860 58.000 -0.100 0.000 1.322 65 F CB 0.428 39.398 39.000 -0.051 0.000 1.126 65 F HN 0.470 nan 8.300 nan 0.000 0.599 66 Q N 0.955 120.756 119.800 0.002 0.000 2.239 66 Q HA 0.253 4.599 4.340 0.010 0.000 0.193 66 Q C -0.230 175.671 176.000 -0.164 0.000 1.004 66 Q CA -0.847 54.794 55.803 -0.270 0.000 1.040 66 Q CB 0.539 28.820 28.738 -0.762 0.000 1.149 66 Q HN 0.506 nan 8.270 nan 0.000 0.535 67 N N -0.143 118.414 118.700 -0.239 0.000 2.374 67 N HA 0.019 4.765 4.740 0.010 0.000 0.241 67 N C -0.585 174.901 175.510 -0.040 0.000 1.262 67 N CA 0.166 53.150 53.050 -0.109 0.000 0.880 67 N CB 0.372 38.814 38.487 -0.074 0.000 1.105 67 N HN 0.157 nan 8.380 nan 0.000 0.438 68 V N 1.613 121.487 119.914 -0.067 0.000 2.567 68 V HA 0.132 4.258 4.120 0.010 0.000 0.289 68 V C 0.598 176.650 176.094 -0.070 0.000 1.049 68 V CA -0.871 61.385 62.300 -0.074 0.000 0.969 68 V CB 1.249 32.993 31.823 -0.131 0.000 0.995 68 V HN 0.711 nan 8.190 nan 0.000 0.471 69 c N 3.988 122.567 118.600 -0.035 0.000 2.634 69 c HA 0.099 4.675 4.570 0.010 0.000 0.417 69 c C 0.491 174.541 174.090 -0.066 0.000 1.334 69 c CA -0.503 55.809 56.329 -0.028 0.000 1.829 69 c CB -0.959 41.565 42.510 0.024 0.000 2.665 69 c HN 0.751 nan 8.230 nan 0.000 0.614 70 Y N 3.785 123.947 120.300 -0.229 0.000 2.632 70 Y HA 0.254 4.810 4.550 0.010 0.000 0.329 70 Y C 0.821 176.733 175.900 0.020 0.000 1.174 70 Y CA 1.030 58.986 58.100 -0.239 0.000 1.469 70 Y CB 0.154 38.231 38.460 -0.638 0.000 1.242 70 Y HN 0.738 nan 8.280 nan 0.000 0.540 71 Q N 3.986 123.843 119.800 0.094 0.000 2.633 71 Q HA 0.196 4.542 4.340 0.010 0.000 0.289 71 Q C -1.780 174.414 176.000 0.324 0.000 0.940 71 Q CA -1.207 54.785 55.803 0.314 0.000 0.785 71 Q CB 1.205 30.077 28.738 0.224 0.000 1.467 71 Q HN 0.695 nan 8.270 nan 0.000 0.401 72 Y N 1.319 121.830 120.300 0.352 0.000 2.721 72 Y HA 0.249 4.805 4.550 0.010 0.000 0.329 72 Y C -0.835 175.217 175.900 0.254 0.000 1.211 72 Y CA 0.118 58.421 58.100 0.338 0.000 1.512 72 Y CB 0.721 39.479 38.460 0.497 0.000 1.249 72 Y HN 0.409 nan 8.280 nan 0.000 0.549 73 V N 7.265 126.926 119.914 -0.421 0.000 2.350 73 V HA 0.075 4.201 4.120 0.010 0.000 0.276 73 V C -0.216 175.485 176.094 -0.654 0.000 1.028 73 V CA -0.869 61.205 62.300 -0.377 0.000 0.860 73 V CB 1.188 32.895 31.823 -0.194 0.000 0.990 73 V HN 0.770 nan 8.190 nan 0.000 0.453 74 D N 3.641 123.828 120.400 -0.356 0.000 2.414 74 D HA 0.240 4.886 4.640 0.010 0.000 0.242 74 D C 0.971 177.261 176.300 -0.018 0.000 1.129 74 D CA 0.513 54.432 54.000 -0.135 0.000 0.885 74 D CB 1.319 42.264 40.800 0.242 0.000 1.198 74 D HN 0.719 nan 8.370 nan 0.000 0.437 75 T N 1.076 115.647 114.554 0.027 0.000 3.144 75 T HA 0.030 4.386 4.350 0.010 0.000 0.290 75 T C 1.530 176.242 174.700 0.020 0.000 0.966 75 T CA -0.448 61.673 62.100 0.036 0.000 0.907 75 T CB -0.188 68.681 68.868 0.002 0.000 1.152 75 T HN 0.244 nan 8.240 nan 0.000 0.532 76 L N 1.115 122.344 121.223 0.010 0.000 2.103 76 L HA -0.017 4.329 4.340 0.010 0.000 0.215 76 L C -0.381 176.208 176.870 -0.469 0.000 1.080 76 L CA 1.760 56.431 54.840 -0.283 0.000 0.764 76 L CB -0.585 41.228 42.059 -0.409 0.000 0.890 76 L HN 0.535 nan 8.230 nan 0.000 0.435 77 Y N -1.403 118.941 120.300 0.074 0.000 2.541 77 Y HA 0.397 4.953 4.550 0.010 0.000 0.350 77 Y C -2.231 173.722 175.900 0.088 0.000 1.075 77 Y CA -3.049 55.071 58.100 0.032 0.000 1.302 77 Y CB 0.243 38.696 38.460 -0.012 0.000 1.094 77 Y HN -0.010 nan 8.280 nan 0.000 0.579 78 P HA 0.148 nan 4.420 nan 0.000 0.267 78 P C 1.080 178.447 177.300 0.112 0.000 1.200 78 P CA 1.407 64.571 63.100 0.106 0.000 0.772 78 P CB 0.968 32.700 31.700 0.054 0.000 0.855 79 G N 1.615 110.458 108.800 0.073 0.000 2.257 79 G HA2 -0.311 3.655 3.960 0.010 0.000 0.267 79 G HA3 -0.311 3.655 3.960 0.010 0.000 0.267 79 G C 0.075 175.017 174.900 0.070 0.000 0.984 79 G CA -0.135 44.992 45.100 0.044 0.000 0.626 79 G HN 0.550 nan 8.290 nan 0.000 0.540 80 F N 2.351 122.259 119.950 -0.071 0.000 2.471 80 F HA 0.569 5.102 4.527 0.010 0.000 0.365 80 F C 1.377 177.072 175.800 -0.174 0.000 1.095 80 F CA -0.545 57.360 58.000 -0.159 0.000 1.174 80 F CB 1.104 39.980 39.000 -0.206 0.000 1.105 80 F HN 0.224 nan 8.300 nan 0.000 0.535 81 E N 4.277 124.089 120.200 -0.647 0.000 2.070 81 E HA -0.142 4.214 4.350 0.010 0.000 0.197 81 E C 2.286 178.383 176.600 -0.839 0.000 1.004 81 E CA 2.089 58.113 56.400 -0.626 0.000 0.805 81 E CB -0.593 28.812 29.700 -0.491 0.000 0.744 81 E HN 0.889 nan 8.360 nan 0.000 0.451 82 G N -0.911 106.896 108.800 -1.655 0.000 2.507 82 G HA2 -0.362 3.604 3.960 0.010 0.000 0.221 82 G HA3 -0.362 3.604 3.960 0.010 0.000 0.221 82 G C 1.709 176.533 174.900 -0.127 0.000 1.119 82 G CA 1.971 46.368 45.100 -1.171 0.000 0.751 82 G HN 0.524 nan 8.290 nan 0.000 0.574 83 T N -2.394 112.086 114.554 -0.123 0.000 3.021 83 T HA 0.142 4.498 4.350 0.010 0.000 0.245 83 T C 1.952 176.780 174.700 0.213 0.000 1.028 83 T CA 0.874 63.240 62.100 0.443 0.000 1.139 83 T CB 0.019 69.270 68.868 0.639 0.000 0.884 83 T HN 0.097 nan 8.240 nan 0.000 0.457 84 E N 2.487 122.685 120.200 -0.003 0.000 2.097 84 E HA -0.187 4.169 4.350 0.010 0.000 0.196 84 E C 2.257 178.762 176.600 -0.159 0.000 1.000 84 E CA 1.723 58.086 56.400 -0.061 0.000 0.804 84 E CB -0.653 28.976 29.700 -0.118 0.000 0.740 84 E HN 0.816 nan 8.360 nan 0.000 0.454 85 M N -1.997 117.408 119.600 -0.324 0.000 2.337 85 M HA -0.140 4.346 4.480 0.010 0.000 0.261 85 M C 1.312 177.242 176.300 -0.618 0.000 1.067 85 M CA 1.621 56.585 55.300 -0.559 0.000 1.074 85 M CB -0.600 31.525 32.600 -0.791 0.000 1.395 85 M HN 0.040 nan 8.290 nan 0.000 0.431 86 W N 1.014 122.257 121.300 -0.095 0.000 3.278 86 W HA 0.296 4.961 4.660 0.010 0.000 0.308 86 W C 0.174 176.625 176.519 -0.114 0.000 1.253 86 W CA -1.038 56.236 57.345 -0.118 0.000 1.759 86 W CB -0.092 29.346 29.460 -0.037 0.000 1.093 86 W HN 0.126 nan 8.180 nan 0.000 0.648 87 N N 1.410 120.136 118.700 0.042 0.000 2.530 87 N HA 0.192 4.938 4.740 0.010 0.000 0.277 87 N C -2.391 173.071 175.510 -0.081 0.000 1.168 87 N CA -1.814 51.235 53.050 -0.001 0.000 0.979 87 N CB 0.217 38.697 38.487 -0.011 0.000 1.141 87 N HN -0.344 nan 8.380 nan 0.000 0.459 88 P HA 0.028 nan 4.420 nan 0.000 0.264 88 P C 0.099 177.318 177.300 -0.135 0.000 1.183 88 P CA 0.212 63.232 63.100 -0.134 0.000 0.763 88 P CB 0.338 31.956 31.700 -0.137 0.000 0.807 89 N N 1.772 120.380 118.700 -0.153 0.000 2.238 89 N HA 0.113 4.859 4.740 0.010 0.000 0.235 89 N C 0.039 175.485 175.510 -0.106 0.000 1.209 89 N CA -0.141 52.828 53.050 -0.135 0.000 0.879 89 N CB 0.528 38.916 38.487 -0.166 0.000 1.136 89 N HN 0.143 nan 8.380 nan 0.000 0.517 90 R N 0.105 120.541 120.500 -0.108 0.000 2.781 90 R HA 0.264 4.610 4.340 0.010 0.000 0.269 90 R C -0.802 175.439 176.300 -0.098 0.000 1.025 90 R CA -0.636 55.414 56.100 -0.083 0.000 0.914 90 R CB 1.155 31.416 30.300 -0.065 0.000 1.236 90 R HN 0.310 nan 8.270 nan 0.000 0.465 91 E N 1.539 121.686 120.200 -0.088 0.000 2.452 91 E HA 0.007 4.363 4.350 0.010 0.000 0.261 91 E C -0.491 176.033 176.600 -0.125 0.000 0.987 91 E CA -0.033 56.310 56.400 -0.095 0.000 0.926 91 E CB 0.526 30.183 29.700 -0.072 0.000 0.934 91 E HN 0.286 nan 8.360 nan 0.000 0.452 92 L N 4.012 125.125 121.223 -0.185 0.000 2.361 92 L HA 0.176 4.522 4.340 0.010 0.000 0.278 92 L C 0.314 177.098 176.870 -0.142 0.000 1.113 92 L CA 0.071 54.725 54.840 -0.310 0.000 0.849 92 L CB 0.802 42.444 42.059 -0.696 0.000 1.155 92 L HN 0.420 nan 8.230 nan 0.000 0.452 93 S N 1.687 117.365 115.700 -0.037 0.000 2.570 93 S HA 0.254 4.730 4.470 0.010 0.000 0.270 93 S C 0.293 174.913 174.600 0.035 0.000 1.149 93 S CA -0.686 57.565 58.200 0.085 0.000 0.837 93 S CB 1.832 65.047 63.200 0.025 0.000 1.124 93 S HN 0.722 nan 8.310 nan 0.000 0.465 94 E N 0.584 120.766 120.200 -0.030 0.000 2.358 94 E HA -0.022 4.334 4.350 0.010 0.000 0.195 94 E C -0.408 176.145 176.600 -0.077 0.000 1.010 94 E CA 0.403 56.709 56.400 -0.156 0.000 0.856 94 E CB 0.146 29.704 29.700 -0.238 0.000 0.795 94 E HN 0.575 nan 8.360 nan 0.000 0.504 95 D N 0.229 120.620 120.400 -0.016 0.000 2.483 95 D HA -0.009 4.637 4.640 0.010 0.000 0.220 95 D C 0.060 176.463 176.300 0.172 0.000 1.173 95 D CA -0.306 53.718 54.000 0.041 0.000 0.964 95 D CB -0.076 40.759 40.800 0.058 0.000 1.046 95 D HN 0.120 nan 8.370 nan 0.000 0.517 96 c N 2.196 120.870 118.600 0.124 0.000 3.772 96 c HA 0.380 4.956 4.570 0.010 0.000 0.293 96 c C 0.783 174.990 174.090 0.194 0.000 1.659 96 c CA -0.673 55.796 56.329 0.232 0.000 1.810 96 c CB -1.278 41.289 42.510 0.094 0.000 3.059 96 c HN 0.443 nan 8.230 nan 0.000 0.617 97 L N 2.533 123.620 121.223 -0.226 0.000 2.384 97 L HA 0.346 4.692 4.340 0.010 0.000 0.258 97 L C -0.816 175.495 176.870 -0.932 0.000 1.266 97 L CA 0.504 54.987 54.840 -0.596 0.000 1.162 97 L CB -0.737 40.822 42.059 -0.833 0.000 1.375 97 L HN 0.423 nan 8.230 nan 0.000 0.420 98 Y N 1.564 121.839 120.300 -0.041 0.000 2.562 98 Y HA 0.654 5.210 4.550 0.010 0.000 0.343 98 Y C 0.056 176.163 175.900 0.346 0.000 1.025 98 Y CA -1.223 56.938 58.100 0.102 0.000 1.082 98 Y CB 1.891 40.366 38.460 0.025 0.000 1.264 98 Y HN 0.176 nan 8.280 nan 0.000 0.478 99 L N -0.413 121.009 121.223 0.331 0.000 2.277 99 L HA 0.758 5.104 4.340 0.010 0.000 0.254 99 L C -1.380 175.492 176.870 0.004 0.000 1.044 99 L CA -1.324 53.580 54.840 0.106 0.000 0.842 99 L CB 1.654 43.582 42.059 -0.218 0.000 1.422 99 L HN 0.497 nan 8.230 nan 0.000 0.422 100 N N -0.198 118.492 118.700 -0.017 0.000 2.225 100 N HA 0.704 5.450 4.740 0.010 0.000 0.298 100 N C -1.584 173.815 175.510 -0.185 0.000 1.076 100 N CA -0.387 52.580 53.050 -0.139 0.000 0.792 100 N CB 2.912 41.339 38.487 -0.099 0.000 1.498 100 N HN 0.498 nan 8.380 nan 0.000 0.474 101 V N 1.469 121.205 119.914 -0.297 0.000 2.588 101 V HA 0.486 4.612 4.120 0.010 0.000 0.304 101 V C -0.765 175.231 176.094 -0.164 0.000 1.042 101 V CA -0.748 61.452 62.300 -0.166 0.000 0.877 101 V CB 2.246 33.842 31.823 -0.379 0.000 0.996 101 V HN 0.550 nan 8.190 nan 0.000 0.425 102 W N 2.883 124.269 121.300 0.143 0.000 2.632 102 W HA 0.697 5.363 4.660 0.011 0.000 0.328 102 W C 0.098 176.720 176.519 0.172 0.000 1.044 102 W CA -0.426 57.011 57.345 0.154 0.000 1.225 102 W CB 2.478 32.011 29.460 0.121 0.000 1.396 102 W HN 0.667 nan 8.180 nan 0.000 0.499 103 T N -0.016 114.788 114.554 0.417 0.000 2.864 103 T HA 0.512 4.868 4.350 0.010 0.000 0.299 103 T C -2.800 172.080 174.700 0.300 0.000 1.166 103 T CA -2.346 59.955 62.100 0.335 0.000 1.007 103 T CB 2.187 71.272 68.868 0.361 0.000 1.219 103 T HN -0.106 nan 8.240 nan 0.000 0.506 104 P HA 0.192 nan 4.420 nan 0.000 0.271 104 P C -1.503 175.956 177.300 0.264 0.000 1.233 104 P CA -0.098 63.130 63.100 0.213 0.000 0.795 104 P CB 0.117 31.910 31.700 0.155 0.000 0.936 105 Y N 0.739 121.096 120.300 0.096 0.000 2.331 105 Y HA 0.421 4.977 4.550 0.010 0.000 0.326 105 Y C -2.401 173.536 175.900 0.063 0.000 1.020 105 Y CA -2.384 55.765 58.100 0.082 0.000 1.136 105 Y CB 1.003 39.501 38.460 0.062 0.000 1.157 105 Y HN 0.319 nan 8.280 nan 0.000 0.444 106 P HA 0.277 nan 4.420 nan 0.000 0.272 106 P C -0.818 176.452 177.300 -0.049 0.000 1.240 106 P CA -0.438 62.492 63.100 -0.285 0.000 0.791 106 P CB 0.753 32.319 31.700 -0.222 0.000 0.978 107 R N 1.416 121.901 120.500 -0.024 0.000 2.697 107 R HA 0.098 4.444 4.340 0.010 0.000 0.265 107 R C -1.791 174.538 176.300 0.048 0.000 1.009 107 R CA -0.820 55.324 56.100 0.073 0.000 1.099 107 R CB -0.844 29.511 30.300 0.091 0.000 0.965 107 R HN 0.473 nan 8.270 nan 0.000 0.428 108 P HA 0.014 nan 4.420 nan 0.000 0.271 108 P C -0.256 177.063 177.300 0.031 0.000 1.218 108 P CA 0.036 63.166 63.100 0.050 0.000 0.780 108 P CB 1.017 32.755 31.700 0.063 0.000 0.901 109 A N 2.965 125.796 122.820 0.018 0.000 1.873 109 A HA -0.038 4.288 4.320 0.010 0.000 0.215 109 A C 1.176 178.765 177.584 0.008 0.000 1.186 109 A CA 1.563 53.604 52.037 0.007 0.000 0.616 109 A CB -1.122 17.880 19.000 0.003 0.000 0.823 109 A HN 0.705 nan 8.150 nan 0.000 0.442 110 S N 0.231 115.939 115.700 0.013 0.000 2.578 110 S HA 0.561 5.037 4.470 0.010 0.000 0.283 110 S C -2.860 171.752 174.600 0.020 0.000 1.195 110 S CA -1.766 56.440 58.200 0.011 0.000 1.050 110 S CB 1.005 64.210 63.200 0.007 0.000 1.012 110 S HN 0.203 nan 8.310 nan 0.000 0.511 111 P HA 0.125 nan 4.420 nan 0.000 0.262 111 P C -0.571 176.746 177.300 0.028 0.000 1.182 111 P CA 0.176 63.291 63.100 0.024 0.000 0.761 111 P CB 0.003 31.709 31.700 0.011 0.000 0.795 112 T N 3.700 118.282 114.554 0.047 0.000 2.829 112 T HA 0.422 4.778 4.350 0.010 0.000 0.280 112 T C -2.593 172.139 174.700 0.053 0.000 0.999 112 T CA -2.279 59.850 62.100 0.049 0.000 0.983 112 T CB 0.986 69.896 68.868 0.071 0.000 0.968 112 T HN 0.158 nan 8.240 nan 0.000 0.446 113 P HA 0.084 nan 4.420 nan 0.000 0.263 113 P C -0.818 176.524 177.300 0.071 0.000 1.175 113 P CA -0.036 63.087 63.100 0.038 0.000 0.761 113 P CB 0.314 32.020 31.700 0.010 0.000 0.794 114 V N 5.506 125.478 119.914 0.096 0.000 2.435 114 V HA 0.339 4.465 4.120 0.010 0.000 0.290 114 V C 0.299 176.475 176.094 0.138 0.000 1.030 114 V CA -0.487 61.891 62.300 0.131 0.000 0.881 114 V CB 1.387 33.301 31.823 0.152 0.000 0.983 114 V HN 0.349 nan 8.190 nan 0.000 0.445 115 L N 5.824 127.142 121.223 0.158 0.000 2.305 115 L HA 0.596 4.942 4.340 0.010 0.000 0.284 115 L C -0.709 176.388 176.870 0.379 0.000 1.013 115 L CA -0.329 54.620 54.840 0.182 0.000 0.819 115 L CB 1.704 43.764 42.059 0.002 0.000 1.227 115 L HN 0.495 nan 8.230 nan 0.000 0.417 116 I N 3.117 123.938 120.570 0.419 0.000 2.362 116 I HA 0.228 4.404 4.170 0.010 0.000 0.289 116 I C -0.557 175.839 176.117 0.465 0.000 0.994 116 I CA -0.419 61.110 61.300 0.381 0.000 1.158 116 I CB 1.520 39.623 38.000 0.172 0.000 1.315 116 I HN 0.633 nan 8.210 nan 0.000 0.451 117 W N 8.511 129.921 121.300 0.184 0.000 2.351 117 W HA 0.568 5.233 4.660 0.009 0.000 0.311 117 W C -1.509 174.910 176.519 -0.167 0.000 1.168 117 W CA -0.659 56.577 57.345 -0.182 0.000 1.200 117 W CB 1.229 30.600 29.460 -0.150 0.000 1.221 117 W HN 0.349 nan 8.180 nan 0.000 0.519 118 I N 9.156 129.086 120.570 -1.067 0.000 2.437 118 I HA 0.060 4.236 4.170 0.010 0.000 0.279 118 I C -0.269 175.059 176.117 -1.316 0.000 1.028 118 I CA -1.086 59.645 61.300 -0.949 0.000 1.142 118 I CB 0.533 38.163 38.000 -0.616 0.000 1.266 118 I HN 0.302 nan 8.210 nan 0.000 0.461 119 Y N 4.461 124.232 120.300 -0.880 0.000 2.426 119 Y HA 0.636 5.192 4.550 0.010 0.000 0.344 119 Y C 0.796 176.495 175.900 -0.334 0.000 1.256 119 Y CA -0.767 56.953 58.100 -0.634 0.000 1.451 119 Y CB -0.088 38.251 38.460 -0.201 0.000 1.342 119 Y HN 0.498 nan 8.280 nan 0.000 0.600 120 G N -0.898 107.898 108.800 -0.007 0.000 2.583 120 G HA2 0.491 4.457 3.960 0.010 0.000 0.280 120 G HA3 0.491 4.457 3.960 0.010 0.000 0.280 120 G C 0.331 175.121 174.900 -0.184 0.000 1.376 120 G CA -0.906 44.084 45.100 -0.183 0.000 1.043 120 G HN 1.717 nan 8.290 nan 0.000 0.538 121 G N -2.994 105.511 108.800 -0.492 0.000 2.363 121 G HA2 0.402 4.368 3.960 0.010 0.000 0.213 121 G HA3 0.402 4.368 3.960 0.010 0.000 0.213 121 G C 1.071 175.341 174.900 -1.050 0.000 1.028 121 G CA 0.773 45.484 45.100 -0.648 0.000 0.822 121 G HN 2.337 nan 8.290 nan 0.000 0.536 122 G N -0.458 107.712 108.800 -1.050 0.000 2.166 122 G HA2 -0.126 3.840 3.960 0.010 0.000 0.260 122 G HA3 -0.126 3.840 3.960 0.010 0.000 0.260 122 G C 0.882 175.325 174.900 -0.761 0.000 0.986 122 G CA 0.818 45.088 45.100 -1.383 0.000 0.683 122 G HN 1.745 nan 8.290 nan 0.000 0.527 123 F N -3.461 116.272 119.950 -0.362 0.000 2.699 123 F HA -0.277 4.256 4.527 0.010 0.000 0.343 123 F C 1.344 177.201 175.800 0.094 0.000 0.633 123 F CA 1.948 59.891 58.000 -0.095 0.000 1.365 123 F CB -2.132 36.683 39.000 -0.308 0.000 1.795 123 F HN 0.945 nan 8.300 nan 0.000 0.304 124 Y N -1.343 119.048 120.300 0.152 0.000 2.471 124 Y HA 0.682 5.238 4.550 0.010 0.000 0.249 124 Y C 0.550 176.592 175.900 0.236 0.000 1.116 124 Y CA 0.134 58.368 58.100 0.224 0.000 1.240 124 Y CB -0.032 38.547 38.460 0.200 0.000 1.251 124 Y HN 0.087 nan 8.280 nan 0.000 0.527 125 S N -0.721 114.808 115.700 -0.284 0.000 2.688 125 S HA 0.918 5.394 4.470 0.010 0.000 0.275 125 S C -0.159 174.310 174.600 -0.218 0.000 1.175 125 S CA -0.523 57.587 58.200 -0.150 0.000 0.818 125 S CB 1.649 64.773 63.200 -0.128 0.000 1.157 125 S HN 1.337 nan 8.310 nan 0.000 0.482 126 G N -0.761 107.867 108.800 -0.287 0.000 2.357 126 G HA2 0.566 4.532 3.960 0.010 0.000 0.643 126 G HA3 0.566 4.532 3.960 0.010 0.000 0.643 126 G C -0.807 173.445 174.900 -1.079 0.000 1.358 126 G CA -0.173 44.558 45.100 -0.615 0.000 0.986 126 G HN 2.252 nan 8.290 nan 0.000 0.620 127 A N -1.418 120.526 122.820 -1.460 0.000 2.583 127 A HA 0.947 5.273 4.320 0.010 0.000 0.298 127 A C 0.467 177.881 177.584 -0.283 0.000 1.055 127 A CA 0.721 52.278 52.037 -0.800 0.000 0.714 127 A CB 0.769 19.549 19.000 -0.367 0.000 1.277 127 A HN 2.584 nan 8.150 nan 0.000 0.406 128 A N 0.729 123.609 122.820 0.100 0.000 2.206 128 A HA 0.287 4.613 4.320 0.010 0.000 0.211 128 A C 1.646 179.296 177.584 0.111 0.000 1.158 128 A CA 1.777 54.042 52.037 0.379 0.000 0.761 128 A CB -0.458 18.815 19.000 0.455 0.000 0.801 128 A HN 1.904 nan 8.150 nan 0.000 0.473 129 S N -0.578 114.946 115.700 -0.293 0.000 2.557 129 S HA 0.367 4.843 4.470 0.010 0.000 0.223 129 S C 0.380 174.545 174.600 -0.723 0.000 0.969 129 S CA -0.520 57.037 58.200 -1.071 0.000 0.927 129 S CB -0.597 61.934 63.200 -1.114 0.000 0.806 129 S HN 0.352 nan 8.310 nan 0.000 0.489 130 L N 2.167 123.137 121.223 -0.421 0.000 2.483 130 L HA 0.185 4.532 4.340 0.010 0.000 0.276 130 L C 1.197 177.752 176.870 -0.525 0.000 1.213 130 L CA -0.527 54.005 54.840 -0.513 0.000 0.843 130 L CB 0.196 41.840 42.059 -0.692 0.000 1.107 130 L HN 0.065 nan 8.230 nan 0.000 0.487 131 D N 1.269 121.406 120.400 -0.438 0.000 2.158 131 D HA -0.152 4.494 4.640 0.010 0.000 0.197 131 D C 1.938 177.981 176.300 -0.429 0.000 0.995 131 D CA 1.473 55.277 54.000 -0.328 0.000 0.846 131 D CB -0.047 40.592 40.800 -0.267 0.000 0.941 131 D HN 0.538 nan 8.370 nan 0.000 0.456 132 V N -1.567 117.950 119.914 -0.662 0.000 3.444 132 V HA -0.105 4.021 4.120 0.010 0.000 0.271 132 V C 0.726 176.244 176.094 -0.960 0.000 1.188 132 V CA 0.851 62.722 62.300 -0.715 0.000 1.168 132 V CB -1.176 30.194 31.823 -0.755 0.000 0.810 132 V HN 0.054 nan 8.190 nan 0.000 0.500 133 Y N -0.231 119.541 120.300 -0.881 0.000 2.636 133 Y HA 0.454 5.010 4.550 0.010 0.000 0.260 133 Y C 0.819 176.177 175.900 -0.904 0.000 1.177 133 Y CA -2.045 55.174 58.100 -1.468 0.000 1.209 133 Y CB -0.508 37.455 38.460 -0.828 0.000 1.166 133 Y HN 0.231 nan 8.280 nan 0.000 0.531 134 D N 0.949 121.072 120.400 -0.461 0.000 2.389 134 D HA 0.013 4.659 4.640 0.010 0.000 0.263 134 D C 1.436 177.377 176.300 -0.597 0.000 1.255 134 D CA 0.619 54.384 54.000 -0.391 0.000 0.914 134 D CB 1.316 42.006 40.800 -0.184 0.000 1.116 134 D HN 0.504 nan 8.370 nan 0.000 0.502 135 G N 4.188 112.006 108.800 -1.637 0.000 2.744 135 G HA2 -0.218 3.748 3.960 0.010 0.000 0.211 135 G HA3 -0.218 3.748 3.960 0.010 0.000 0.211 135 G C 1.527 175.817 174.900 -1.015 0.000 1.143 135 G CA 0.456 44.795 45.100 -1.269 0.000 0.788 135 G HN 0.642 nan 8.290 nan 0.000 0.534 136 R N -0.513 119.269 120.500 -1.198 0.000 2.127 136 R HA -0.062 4.285 4.340 0.010 0.000 0.238 136 R C 1.737 177.756 176.300 -0.469 0.000 1.134 136 R CA 1.474 57.179 56.100 -0.658 0.000 0.975 136 R CB -0.666 29.294 30.300 -0.567 0.000 0.865 136 R HN 0.347 nan 8.270 nan 0.000 0.447 137 F N 1.222 121.074 119.950 -0.163 0.000 2.187 137 F HA 0.082 4.615 4.527 0.011 0.000 0.295 137 F C 2.253 178.000 175.800 -0.090 0.000 1.091 137 F CA 0.625 58.562 58.000 -0.104 0.000 1.308 137 F CB -0.497 38.435 39.000 -0.113 0.000 1.030 137 F HN -0.131 nan 8.300 nan 0.000 0.487 138 L N -0.139 121.122 121.223 0.063 0.000 2.131 138 L HA -0.181 4.165 4.340 0.010 0.000 0.210 138 L C 2.674 179.558 176.870 0.023 0.000 1.092 138 L CA 1.052 55.890 54.840 -0.003 0.000 0.759 138 L CB -0.836 41.171 42.059 -0.086 0.000 0.903 138 L HN 0.188 nan 8.230 nan 0.000 0.435 139 A N -0.953 121.883 122.820 0.027 0.000 1.873 139 A HA -0.223 4.103 4.320 0.010 0.000 0.215 139 A C 2.281 179.915 177.584 0.083 0.000 1.186 139 A CA 1.446 53.538 52.037 0.093 0.000 0.616 139 A CB -0.448 18.650 19.000 0.164 0.000 0.823 139 A HN 0.357 nan 8.150 nan 0.000 0.442 140 Q N -0.110 119.722 119.800 0.053 0.000 2.062 140 Q HA -0.052 4.294 4.340 0.010 0.000 0.196 140 Q C 2.167 178.205 176.000 0.063 0.000 0.967 140 Q CA 1.947 57.786 55.803 0.061 0.000 0.832 140 Q CB -0.332 28.426 28.738 0.034 0.000 0.899 140 Q HN 0.377 nan 8.270 nan 0.000 0.442 141 V N 1.343 121.295 119.914 0.064 0.000 2.407 141 V HA -0.105 4.021 4.120 0.010 0.000 0.245 141 V C 1.688 177.803 176.094 0.035 0.000 1.041 141 V CA 1.562 63.892 62.300 0.050 0.000 1.040 141 V CB -0.118 31.733 31.823 0.047 0.000 0.671 141 V HN 0.250 nan 8.190 nan 0.000 0.455 142 E N -0.385 119.835 120.200 0.032 0.000 2.481 142 E HA 0.206 4.562 4.350 0.010 0.000 0.198 142 E C 1.672 178.294 176.600 0.037 0.000 1.027 142 E CA 0.710 57.125 56.400 0.024 0.000 0.900 142 E CB 0.575 30.281 29.700 0.009 0.000 0.993 142 E HN 0.568 nan 8.360 nan 0.000 0.482 143 G N 1.909 110.741 108.800 0.054 0.000 2.179 143 G HA2 -0.329 3.637 3.960 0.010 0.000 0.257 143 G HA3 -0.329 3.637 3.960 0.010 0.000 0.257 143 G C 0.554 175.500 174.900 0.078 0.000 1.010 143 G CA 0.435 45.577 45.100 0.070 0.000 0.736 143 G HN 0.477 nan 8.290 nan 0.000 0.513 144 A N -0.877 121.987 122.820 0.074 0.000 2.386 144 A HA 0.653 4.980 4.320 0.010 0.000 0.248 144 A C 0.596 178.261 177.584 0.136 0.000 1.082 144 A CA 0.252 52.339 52.037 0.083 0.000 0.789 144 A CB 0.993 20.024 19.000 0.052 0.000 1.025 144 A HN 1.131 nan 8.150 nan 0.000 0.490 145 V N 2.918 122.921 119.914 0.148 0.000 2.364 145 V HA 0.346 4.472 4.120 0.010 0.000 0.272 145 V C -0.041 176.186 176.094 0.222 0.000 1.036 145 V CA -0.064 62.354 62.300 0.196 0.000 0.880 145 V CB 0.655 32.585 31.823 0.179 0.000 0.991 145 V HN 0.723 nan 8.190 nan 0.000 0.460 146 L N 6.405 127.815 121.223 0.310 0.000 2.329 146 L HA 0.795 5.141 4.340 0.010 0.000 0.279 146 L C -0.808 176.336 176.870 0.457 0.000 1.014 146 L CA -0.198 54.873 54.840 0.384 0.000 0.814 146 L CB 1.881 44.173 42.059 0.389 0.000 1.257 146 L HN 0.438 nan 8.230 nan 0.000 0.424 147 V N 3.034 123.197 119.914 0.414 0.000 2.709 147 V HA 0.695 4.821 4.120 0.010 0.000 0.308 147 V C -0.658 175.664 176.094 0.380 0.000 1.062 147 V CA -0.437 62.057 62.300 0.325 0.000 0.901 147 V CB 2.042 33.985 31.823 0.200 0.000 1.003 147 V HN 0.850 nan 8.190 nan 0.000 0.425 148 S N 5.213 121.130 115.700 0.362 0.000 2.541 148 S HA 0.883 5.359 4.470 0.010 0.000 0.280 148 S C -0.825 173.913 174.600 0.230 0.000 1.112 148 S CA -0.810 57.612 58.200 0.371 0.000 0.925 148 S CB 2.249 65.802 63.200 0.589 0.000 1.067 148 S HN 0.889 nan 8.310 nan 0.000 0.479 149 M N 1.376 121.073 119.600 0.163 0.000 2.602 149 M HA 0.651 5.137 4.480 0.010 0.000 0.312 149 M C -1.662 174.837 176.300 0.331 0.000 1.181 149 M CA -0.543 54.843 55.300 0.142 0.000 0.910 149 M CB 1.129 33.637 32.600 -0.153 0.000 1.723 149 M HN 0.543 nan 8.290 nan 0.000 0.459 150 N N 2.568 121.535 118.700 0.446 0.000 2.518 150 N HA 0.603 5.349 4.740 0.010 0.000 0.283 150 N C -1.392 174.396 175.510 0.464 0.000 1.119 150 N CA 0.118 53.450 53.050 0.470 0.000 0.983 150 N CB 0.561 39.269 38.487 0.369 0.000 1.139 150 N HN 0.718 nan 8.380 nan 0.000 0.465 151 Y N -1.932 118.535 120.300 0.278 0.000 2.562 151 Y HA 0.569 5.125 4.550 0.010 0.000 0.345 151 Y C -0.223 175.811 175.900 0.223 0.000 1.045 151 Y CA -1.352 56.867 58.100 0.198 0.000 1.028 151 Y CB 0.968 39.476 38.460 0.080 0.000 1.297 151 Y HN 0.192 nan 8.280 nan 0.000 0.463 152 R N 1.828 122.478 120.500 0.250 0.000 2.491 152 R HA 0.525 4.871 4.340 0.010 0.000 0.283 152 R C -0.292 176.168 176.300 0.266 0.000 1.072 152 R CA -0.301 55.902 56.100 0.172 0.000 1.048 152 R CB 0.999 31.368 30.300 0.116 0.000 0.983 152 R HN 0.713 nan 8.270 nan 0.000 0.450 153 V N -0.139 119.963 119.914 0.313 0.000 3.204 153 V HA 0.882 5.008 4.120 0.010 0.000 0.316 153 V C 0.776 177.190 176.094 0.534 0.000 1.160 153 V CA -0.152 62.443 62.300 0.491 0.000 1.044 153 V CB 1.090 33.107 31.823 0.322 0.000 1.136 153 V HN 0.963 nan 8.190 nan 0.000 0.455 154 G N 1.473 110.613 108.800 0.567 0.000 2.564 154 G HA2 -0.283 3.683 3.960 0.010 0.000 0.273 154 G HA3 -0.283 3.683 3.960 0.010 0.000 0.273 154 G C 0.991 176.028 174.900 0.228 0.000 1.242 154 G CA 1.457 46.813 45.100 0.427 0.000 0.951 154 G HN 2.322 nan 8.290 nan 0.000 0.564 155 T N -1.736 112.687 114.554 -0.218 0.000 2.699 155 T HA -0.130 4.226 4.350 0.010 0.000 0.268 155 T C 2.128 176.656 174.700 -0.287 0.000 1.036 155 T CA 2.650 64.357 62.100 -0.655 0.000 1.147 155 T CB -0.427 67.905 68.868 -0.892 0.000 0.862 155 T HN 0.606 nan 8.240 nan 0.000 0.446 156 F N 2.158 122.158 119.950 0.083 0.000 2.216 156 F HA 0.236 4.769 4.527 0.010 0.000 0.300 156 F C 2.710 178.507 175.800 -0.006 0.000 1.085 156 F CA 0.792 58.810 58.000 0.030 0.000 1.326 156 F CB -0.830 38.163 39.000 -0.011 0.000 1.027 156 F HN 0.390 nan 8.300 nan 0.000 0.497 157 G N -2.398 106.466 108.800 0.107 0.000 2.833 157 G HA2 0.078 4.044 3.960 0.010 0.000 0.210 157 G HA3 0.078 4.044 3.960 0.010 0.000 0.210 157 G C 0.881 175.314 174.900 -0.778 0.000 1.139 157 G CA 0.162 45.082 45.100 -0.300 0.000 0.771 157 G HN 0.342 nan 8.290 nan 0.000 0.535 158 F N -0.709 119.291 119.950 0.084 0.000 2.925 158 F HA 0.416 4.950 4.527 0.011 0.000 0.359 158 F C 0.614 176.425 175.800 0.019 0.000 1.038 158 F CA -0.921 57.108 58.000 0.049 0.000 1.130 158 F CB 0.340 39.385 39.000 0.075 0.000 1.093 158 F HN -0.094 nan 8.300 nan 0.000 0.561 159 L N 2.231 123.399 121.223 -0.092 0.000 2.559 159 L HA 0.439 4.785 4.340 0.010 0.000 0.274 159 L C -0.079 176.699 176.870 -0.153 0.000 1.205 159 L CA 0.033 54.690 54.840 -0.305 0.000 0.907 159 L CB 0.381 41.978 42.059 -0.769 0.000 1.153 159 L HN 0.129 nan 8.230 nan 0.000 0.490 160 A N 6.381 129.171 122.820 -0.050 0.000 2.398 160 A HA 0.618 4.944 4.320 0.010 0.000 0.301 160 A C -1.053 176.493 177.584 -0.063 0.000 1.041 160 A CA -0.621 51.384 52.037 -0.053 0.000 0.711 160 A CB 1.226 20.234 19.000 0.014 0.000 1.240 160 A HN 0.704 nan 8.150 nan 0.000 0.420 161 L N 3.532 124.703 121.223 -0.087 0.000 2.314 161 L HA 0.315 4.661 4.340 0.010 0.000 0.275 161 L C -2.348 174.503 176.870 -0.032 0.000 1.068 161 L CA -1.776 53.029 54.840 -0.059 0.000 0.894 161 L CB 1.025 43.039 42.059 -0.075 0.000 1.275 161 L HN 0.402 nan 8.230 nan 0.000 0.432 162 P HA 0.049 nan 4.420 nan 0.000 0.262 162 P C 0.976 178.272 177.300 -0.006 0.000 1.182 162 P CA 0.780 63.877 63.100 -0.006 0.000 0.761 162 P CB 0.989 32.687 31.700 -0.004 0.000 0.795 163 G N 1.831 110.632 108.800 0.001 0.000 2.317 163 G HA2 -0.252 3.714 3.960 0.010 0.000 0.227 163 G HA3 -0.252 3.714 3.960 0.010 0.000 0.227 163 G C 0.505 175.405 174.900 0.001 0.000 1.042 163 G CA 0.240 45.341 45.100 0.001 0.000 0.623 163 G HN 0.810 nan 8.290 nan 0.000 0.509 164 S N 0.121 115.819 115.700 -0.005 0.000 2.596 164 S HA 0.577 5.053 4.470 0.010 0.000 0.260 164 S C 1.226 175.830 174.600 0.006 0.000 1.336 164 S CA 0.557 58.755 58.200 -0.004 0.000 0.993 164 S CB 1.542 64.732 63.200 -0.016 0.000 0.923 164 S HN 0.451 nan 8.310 nan 0.000 0.567 165 R N 0.199 120.705 120.500 0.010 0.000 2.140 165 R HA 0.068 4.414 4.340 0.010 0.000 0.213 165 R C 1.501 177.817 176.300 0.027 0.000 1.059 165 R CA 0.999 57.110 56.100 0.019 0.000 1.000 165 R CB -0.142 30.169 30.300 0.018 0.000 0.910 165 R HN 0.756 nan 8.270 nan 0.000 0.455 166 E N -0.408 119.808 120.200 0.027 0.000 2.400 166 E HA 0.117 4.473 4.350 0.010 0.000 0.195 166 E C -0.101 176.540 176.600 0.070 0.000 1.012 166 E CA 0.360 56.790 56.400 0.050 0.000 0.875 166 E CB 1.020 30.750 29.700 0.049 0.000 0.859 166 E HN 0.138 nan 8.360 nan 0.000 0.498 167 A N 1.200 124.032 122.820 0.020 0.000 3.300 167 A HA 0.302 4.628 4.320 0.010 0.000 0.300 167 A C -2.236 175.339 177.584 -0.015 0.000 1.099 167 A CA -0.975 51.060 52.037 -0.003 0.000 0.846 167 A CB 0.523 19.431 19.000 -0.154 0.000 1.255 167 A HN -0.092 nan 8.150 nan 0.000 0.519 168 P HA 0.160 nan 4.420 nan 0.000 0.233 168 P C 0.959 178.267 177.300 0.012 0.000 1.167 168 P CA 1.708 64.817 63.100 0.015 0.000 0.770 168 P CB 0.171 31.891 31.700 0.033 0.000 0.837 169 G N 0.871 109.672 108.800 0.002 0.000 2.795 169 G HA2 -0.216 3.750 3.960 0.010 0.000 0.664 169 G HA3 -0.216 3.750 3.960 0.010 0.000 0.664 169 G C -0.032 174.853 174.900 -0.026 0.000 1.381 169 G CA -0.260 44.842 45.100 0.003 0.000 0.853 169 G HN 0.145 nan 8.290 nan 0.000 0.545 170 N N -2.467 116.214 118.700 -0.033 0.000 2.713 170 N HA -0.287 4.459 4.740 0.010 0.000 0.251 170 N C 1.863 177.212 175.510 -0.268 0.000 1.117 170 N CA 2.461 55.423 53.050 -0.147 0.000 0.770 170 N CB -1.624 36.720 38.487 -0.240 0.000 1.137 170 N HN 1.932 nan 8.380 nan 0.000 0.566 171 V N -2.775 116.970 119.914 -0.282 0.000 2.759 171 V HA 0.037 4.163 4.120 0.010 0.000 0.256 171 V C 2.266 178.226 176.094 -0.223 0.000 1.080 171 V CA 2.202 64.397 62.300 -0.174 0.000 1.101 171 V CB -0.787 30.985 31.823 -0.085 0.000 0.698 171 V HN 0.268 nan 8.190 nan 0.000 0.477 172 G N 0.443 108.905 108.800 -0.565 0.000 2.408 172 G HA2 -0.130 3.836 3.960 0.010 0.000 0.217 172 G HA3 -0.130 3.836 3.960 0.010 0.000 0.217 172 G C 1.540 176.392 174.900 -0.081 0.000 1.150 172 G CA 1.086 45.997 45.100 -0.314 0.000 0.776 172 G HN 0.528 nan 8.290 nan 0.000 0.542 173 L N -0.172 120.948 121.223 -0.172 0.000 2.093 173 L HA 0.026 4.372 4.340 0.010 0.000 0.208 173 L C 2.856 179.795 176.870 0.116 0.000 1.085 173 L CA 0.460 55.192 54.840 -0.180 0.000 0.755 173 L CB -0.293 41.308 42.059 -0.763 0.000 0.904 173 L HN 0.208 nan 8.230 nan 0.000 0.435 174 L N -0.666 120.633 121.223 0.126 0.000 2.056 174 L HA -0.202 4.144 4.340 0.010 0.000 0.207 174 L C 2.255 179.256 176.870 0.218 0.000 1.078 174 L CA 0.940 55.927 54.840 0.245 0.000 0.749 174 L CB -0.639 41.529 42.059 0.183 0.000 0.901 174 L HN 0.264 nan 8.230 nan 0.000 0.433 175 D N 0.021 120.537 120.400 0.193 0.000 2.133 175 D HA -0.229 4.417 4.640 0.010 0.000 0.195 175 D C 2.249 178.716 176.300 0.279 0.000 0.997 175 D CA 1.273 55.467 54.000 0.323 0.000 0.840 175 D CB -0.256 40.751 40.800 0.345 0.000 0.947 175 D HN 0.437 nan 8.370 nan 0.000 0.452 176 Q N 0.111 119.999 119.800 0.146 0.000 2.061 176 Q HA -0.145 4.201 4.340 0.010 0.000 0.204 176 Q C 2.333 178.322 176.000 -0.018 0.000 0.984 176 Q CA 1.110 56.916 55.803 0.004 0.000 0.846 176 Q CB -0.119 28.613 28.738 -0.010 0.000 0.902 176 Q HN 0.218 nan 8.270 nan 0.000 0.421 177 R N 0.599 121.190 120.500 0.153 0.000 2.096 177 R HA -0.163 4.183 4.340 0.010 0.000 0.235 177 R C 2.235 178.589 176.300 0.090 0.000 1.127 177 R CA 0.919 57.092 56.100 0.122 0.000 0.968 177 R CB -0.196 30.270 30.300 0.277 0.000 0.861 177 R HN 0.223 nan 8.270 nan 0.000 0.440 178 L N 0.746 122.059 121.223 0.150 0.000 2.046 178 L HA -0.044 4.302 4.340 0.010 0.000 0.208 178 L C 2.237 179.171 176.870 0.107 0.000 1.077 178 L CA 2.156 57.115 54.840 0.197 0.000 0.747 178 L CB -0.671 41.592 42.059 0.339 0.000 0.896 178 L HN 0.233 nan 8.230 nan 0.000 0.432 179 A N -0.602 122.092 122.820 -0.210 0.000 1.972 179 A HA -0.121 4.205 4.320 0.010 0.000 0.219 179 A C 2.209 179.739 177.584 -0.090 0.000 1.169 179 A CA 1.724 53.473 52.037 -0.479 0.000 0.635 179 A CB -0.783 17.618 19.000 -0.999 0.000 0.810 179 A HN 0.522 nan 8.150 nan 0.000 0.446 180 L N -1.086 120.095 121.223 -0.070 0.000 2.056 180 L HA -0.242 4.104 4.340 0.010 0.000 0.207 180 L C 2.813 179.728 176.870 0.075 0.000 1.078 180 L CA 1.585 56.419 54.840 -0.009 0.000 0.749 180 L CB -0.879 41.133 42.059 -0.079 0.000 0.901 180 L HN 0.492 nan 8.230 nan 0.000 0.433 181 Q N -0.804 119.051 119.800 0.092 0.000 2.050 181 Q HA -0.265 4.081 4.340 0.010 0.000 0.202 181 Q C 2.051 178.142 176.000 0.153 0.000 0.980 181 Q CA 2.071 57.939 55.803 0.109 0.000 0.840 181 Q CB -0.343 28.462 28.738 0.112 0.000 0.898 181 Q HN 0.516 nan 8.270 nan 0.000 0.424 182 W N 0.506 121.821 121.300 0.025 0.000 2.325 182 W HA -0.251 4.414 4.660 0.010 0.000 0.299 182 W C 1.797 178.342 176.519 0.044 0.000 1.215 182 W CA 1.373 58.749 57.345 0.051 0.000 1.244 182 W CB -0.004 29.488 29.460 0.053 0.000 1.140 182 W HN -0.111 nan 8.180 nan 0.000 0.523 183 V N 0.448 120.558 119.914 0.326 0.000 2.323 183 V HA -0.296 3.830 4.120 0.010 0.000 0.244 183 V C 2.535 178.655 176.094 0.043 0.000 1.041 183 V CA 1.861 64.297 62.300 0.227 0.000 1.025 183 V CB -0.937 31.026 31.823 0.233 0.000 0.656 183 V HN 0.130 nan 8.190 nan 0.000 0.451 184 Q N 0.108 119.936 119.800 0.047 0.000 2.062 184 Q HA -0.305 4.041 4.340 0.010 0.000 0.209 184 Q C 2.243 178.215 176.000 -0.046 0.000 0.996 184 Q CA 2.487 58.301 55.803 0.017 0.000 0.859 184 Q CB -0.391 28.362 28.738 0.025 0.000 0.920 184 Q HN 0.818 nan 8.270 nan 0.000 0.415 185 E N -0.478 119.659 120.200 -0.106 0.000 2.158 185 E HA -0.072 4.284 4.350 0.010 0.000 0.191 185 E C 1.156 177.607 176.600 -0.248 0.000 0.982 185 E CA 0.743 57.048 56.400 -0.158 0.000 0.823 185 E CB 0.276 29.878 29.700 -0.164 0.000 0.766 185 E HN 0.307 nan 8.360 nan 0.000 0.468 186 N N -0.163 118.292 118.700 -0.408 0.000 2.257 186 N HA 0.004 4.750 4.740 0.010 0.000 0.200 186 N C 1.462 176.839 175.510 -0.222 0.000 1.163 186 N CA 0.042 52.795 53.050 -0.495 0.000 0.891 186 N CB 0.363 38.171 38.487 -1.130 0.000 1.067 186 N HN 0.127 nan 8.380 nan 0.000 0.497 187 I N 2.445 122.953 120.570 -0.103 0.000 2.454 187 I HA -0.144 4.032 4.170 0.010 0.000 0.254 187 I C 2.198 178.426 176.117 0.185 0.000 1.156 187 I CA 0.649 62.036 61.300 0.144 0.000 1.433 187 I CB -0.156 37.924 38.000 0.134 0.000 1.082 187 I HN 0.054 nan 8.210 nan 0.000 0.432 188 A N 0.305 123.154 122.820 0.048 0.000 1.972 188 A HA -0.138 4.188 4.320 0.010 0.000 0.219 188 A C 2.512 180.081 177.584 -0.026 0.000 1.169 188 A CA 1.553 53.601 52.037 0.019 0.000 0.635 188 A CB -1.159 17.828 19.000 -0.021 0.000 0.810 188 A HN 0.484 nan 8.150 nan 0.000 0.446 189 A N -1.343 121.411 122.820 -0.110 0.000 2.042 189 A HA -0.096 4.230 4.320 0.010 0.000 0.222 189 A C 1.618 178.960 177.584 -0.403 0.000 1.167 189 A CA 1.616 53.469 52.037 -0.307 0.000 0.649 189 A CB -0.709 17.995 19.000 -0.493 0.000 0.809 189 A HN 0.536 nan 8.150 nan 0.000 0.457 190 F N -1.593 118.309 119.950 -0.080 0.000 2.695 190 F HA 0.388 4.921 4.527 0.010 0.000 0.303 190 F C 1.785 177.595 175.800 0.015 0.000 1.091 190 F CA 0.545 58.518 58.000 -0.046 0.000 1.300 190 F CB 0.311 39.301 39.000 -0.018 0.000 1.071 190 F HN 0.342 nan 8.300 nan 0.000 0.578 191 G N 0.317 109.194 108.800 0.129 0.000 2.157 191 G HA2 -0.199 3.767 3.960 0.010 0.000 0.248 191 G HA3 -0.199 3.767 3.960 0.010 0.000 0.248 191 G C 0.684 175.656 174.900 0.120 0.000 0.979 191 G CA -0.237 44.925 45.100 0.102 0.000 0.650 191 G HN 0.711 nan 8.290 nan 0.000 0.529 192 G N -0.399 108.496 108.800 0.158 0.000 2.503 192 G HA2 0.451 4.417 3.960 0.010 0.000 0.257 192 G HA3 0.451 4.417 3.960 0.010 0.000 0.257 192 G C -0.544 174.408 174.900 0.087 0.000 1.214 192 G CA 0.399 45.578 45.100 0.132 0.000 0.839 192 G HN 0.261 nan 8.290 nan 0.000 0.559 193 D N 1.717 122.160 120.400 0.072 0.000 2.443 193 D HA 0.273 4.919 4.640 0.010 0.000 0.221 193 D C -1.137 175.200 176.300 0.063 0.000 1.097 193 D CA -2.428 51.598 54.000 0.044 0.000 0.865 193 D CB 1.788 42.598 40.800 0.016 0.000 1.034 193 D HN 0.056 nan 8.370 nan 0.000 0.511 194 P HA -0.093 nan 4.420 nan 0.000 0.228 194 P C 1.056 178.463 177.300 0.178 0.000 1.151 194 P CA 0.766 63.931 63.100 0.108 0.000 0.770 194 P CB 0.144 31.883 31.700 0.066 0.000 0.786 195 M N -1.598 118.034 119.600 0.053 0.000 2.428 195 M HA 0.120 4.606 4.480 0.010 0.000 0.239 195 M C 0.663 176.648 176.300 -0.525 0.000 1.121 195 M CA 0.393 55.608 55.300 -0.141 0.000 1.019 195 M CB 0.303 32.811 32.600 -0.153 0.000 1.485 195 M HN -0.172 nan 8.290 nan 0.000 0.484 196 S N 1.231 116.855 115.700 -0.127 0.000 2.293 196 S HA 0.409 4.885 4.470 0.010 0.000 0.154 196 S C -0.994 173.712 174.600 0.176 0.000 1.602 196 S CA -0.445 57.718 58.200 -0.063 0.000 1.260 196 S CB 0.434 63.588 63.200 -0.077 0.000 1.270 196 S HN 0.027 nan 8.310 nan 0.000 0.416 197 V N 3.703 123.892 119.914 0.459 0.000 2.384 197 V HA 0.530 4.657 4.120 0.010 0.000 0.287 197 V C 0.040 176.316 176.094 0.305 0.000 1.020 197 V CA -0.378 62.113 62.300 0.318 0.000 0.850 197 V CB 1.750 33.732 31.823 0.265 0.000 0.987 197 V HN 0.694 nan 8.190 nan 0.000 0.436 198 T N 6.647 121.331 114.554 0.217 0.000 2.770 198 T HA 0.555 4.911 4.350 0.010 0.000 0.283 198 T C -0.209 174.613 174.700 0.203 0.000 0.988 198 T CA -0.352 61.874 62.100 0.211 0.000 0.957 198 T CB 0.843 69.795 68.868 0.140 0.000 0.930 198 T HN 0.344 nan 8.240 nan 0.000 0.443 199 L N 5.280 126.576 121.223 0.121 0.000 2.319 199 L HA 0.561 4.907 4.340 0.010 0.000 0.280 199 L C -0.383 176.655 176.870 0.280 0.000 1.099 199 L CA -0.707 54.172 54.840 0.065 0.000 0.828 199 L CB 0.053 41.920 42.059 -0.320 0.000 1.150 199 L HN 0.602 nan 8.230 nan 0.000 0.442 200 F N 1.049 121.056 119.950 0.095 0.000 2.565 200 F HA 0.970 5.503 4.527 0.010 0.000 0.313 200 F C -0.146 175.640 175.800 -0.023 0.000 1.091 200 F CA -1.728 56.376 58.000 0.172 0.000 0.915 200 F CB 1.523 40.782 39.000 0.432 0.000 1.208 200 F HN 0.420 nan 8.300 nan 0.000 0.453 201 G N 1.341 110.015 108.800 -0.211 0.000 2.660 201 G HA2 0.515 4.481 3.960 0.010 0.000 0.290 201 G HA3 0.515 4.481 3.960 0.010 0.000 0.290 201 G C -2.328 172.338 174.900 -0.391 0.000 1.432 201 G CA -0.729 43.840 45.100 -0.885 0.000 0.807 201 G HN 0.873 nan 8.290 nan 0.000 0.485 205 G N 0.549 109.110 108.800 -0.399 0.000 2.402 205 G HA2 0.145 4.111 3.960 0.010 0.000 0.216 205 G HA3 0.145 4.111 3.960 0.010 0.000 0.216 205 G C 1.631 176.342 174.900 -0.314 0.000 1.162 205 G CA 1.644 46.484 45.100 -0.435 0.000 0.777 205 G HN 1.170 nan 8.290 nan 0.000 0.539 206 A N 1.184 123.881 122.820 -0.205 0.000 1.898 206 A HA 0.330 4.656 4.320 0.010 0.000 0.216 206 A C 2.817 180.360 177.584 -0.067 0.000 1.181 206 A CA 2.129 54.109 52.037 -0.095 0.000 0.620 206 A CB -0.801 18.196 19.000 -0.005 0.000 0.819 206 A HN 0.739 nan 8.150 nan 0.000 0.442 207 A N -0.451 122.350 122.820 -0.032 0.000 1.902 207 A HA -0.090 4.236 4.320 0.010 0.000 0.217 207 A C 2.434 180.000 177.584 -0.030 0.000 1.181 207 A CA 2.098 54.109 52.037 -0.042 0.000 0.623 207 A CB -0.985 17.998 19.000 -0.027 0.000 0.818 207 A HN 0.443 nan 8.150 nan 0.000 0.443 208 S N -0.367 115.322 115.700 -0.018 0.000 2.369 208 S HA -0.203 4.273 4.470 0.010 0.000 0.225 208 S C 1.925 176.474 174.600 -0.085 0.000 1.043 208 S CA 1.692 59.841 58.200 -0.086 0.000 1.074 208 S CB -0.721 62.377 63.200 -0.171 0.000 0.962 208 S HN 0.371 nan 8.310 nan 0.000 0.433 209 V N 1.573 121.441 119.914 -0.078 0.000 2.282 209 V HA -0.238 3.888 4.120 0.010 0.000 0.249 209 V C 2.600 178.672 176.094 -0.037 0.000 1.057 209 V CA 2.090 64.351 62.300 -0.065 0.000 1.032 209 V CB -1.562 30.197 31.823 -0.107 0.000 0.645 209 V HN 0.626 nan 8.190 nan 0.000 0.447 210 G N -0.647 108.124 108.800 -0.048 0.000 2.422 210 G HA2 -0.230 3.736 3.960 0.010 0.000 0.218 210 G HA3 -0.230 3.736 3.960 0.010 0.000 0.218 210 G C 1.494 176.387 174.900 -0.012 0.000 1.146 210 G CA 1.030 46.107 45.100 -0.038 0.000 0.769 210 G HN 0.377 nan 8.290 nan 0.000 0.547 211 M N 0.434 120.001 119.600 -0.055 0.000 2.159 211 M HA -0.035 4.451 4.480 0.010 0.000 0.263 211 M C 2.207 178.550 176.300 0.072 0.000 1.063 211 M CA 1.064 56.349 55.300 -0.024 0.000 1.110 211 M CB -1.346 31.157 32.600 -0.161 0.000 1.374 211 M HN 0.272 nan 8.290 nan 0.000 0.411 212 H N 0.013 119.175 119.070 0.154 0.000 2.389 212 H HA 0.068 4.630 4.556 0.010 0.000 0.299 212 H C 2.301 177.802 175.328 0.289 0.000 1.081 212 H CA 1.199 57.359 56.048 0.187 0.000 1.345 212 H CB -0.283 29.493 29.762 0.023 0.000 1.393 212 H HN 0.372 nan 8.280 nan 0.000 0.520 213 I N 0.758 121.546 120.570 0.364 0.000 2.264 213 I HA -0.254 3.922 4.170 0.010 0.000 0.248 213 I C 1.897 178.172 176.117 0.263 0.000 1.111 213 I CA 1.127 62.650 61.300 0.371 0.000 1.382 213 I CB -0.073 38.042 38.000 0.191 0.000 1.060 213 I HN 0.117 nan 8.210 nan 0.000 0.418 214 L N -0.925 120.414 121.223 0.194 0.000 2.592 214 L HA 0.099 4.445 4.340 0.010 0.000 0.227 214 L C 0.848 177.789 176.870 0.119 0.000 1.127 214 L CA 0.025 54.971 54.840 0.176 0.000 0.884 214 L CB 0.051 42.188 42.059 0.130 0.000 1.065 214 L HN 0.040 nan 8.230 nan 0.000 0.457 215 S N 0.026 115.778 115.700 0.086 0.000 2.669 215 S HA 0.216 4.692 4.470 0.010 0.000 0.315 215 S C 0.982 175.539 174.600 -0.072 0.000 1.106 215 S CA -0.605 57.557 58.200 -0.064 0.000 1.107 215 S CB 0.970 63.986 63.200 -0.307 0.000 0.990 215 S HN 0.067 nan 8.310 nan 0.000 0.471 216 L N 5.869 127.054 121.223 -0.063 0.000 2.010 216 L HA -0.014 4.332 4.340 0.010 0.000 0.219 216 L C -0.894 175.937 176.870 -0.065 0.000 1.077 216 L CA 2.415 57.225 54.840 -0.050 0.000 0.773 216 L CB -2.044 39.984 42.059 -0.051 0.000 0.892 216 L HN 0.530 nan 8.230 nan 0.000 0.436 217 P HA -0.040 nan 4.420 nan 0.000 0.230 217 P C 1.613 178.890 177.300 -0.038 0.000 1.158 217 P CA 0.833 63.885 63.100 -0.079 0.000 0.769 217 P CB 0.131 31.769 31.700 -0.103 0.000 0.807 218 S N -1.089 114.610 115.700 -0.002 0.000 2.503 218 S HA 0.055 4.531 4.470 0.010 0.000 0.217 218 S C 1.807 176.502 174.600 0.159 0.000 0.999 218 S CA 0.141 58.427 58.200 0.144 0.000 0.914 218 S CB -0.228 63.190 63.200 0.363 0.000 0.782 218 S HN 0.020 nan 8.310 nan 0.000 0.520 219 R N 2.283 122.792 120.500 0.015 0.000 2.083 219 R HA -0.028 4.318 4.340 0.010 0.000 0.237 219 R C 2.391 178.474 176.300 -0.361 0.000 1.137 219 R CA 1.699 57.675 56.100 -0.207 0.000 0.951 219 R CB -1.514 28.712 30.300 -0.123 0.000 0.851 219 R HN 0.564 nan 8.270 nan 0.000 0.434 220 S N 0.324 115.910 115.700 -0.189 0.000 2.595 220 S HA -0.003 4.473 4.470 0.010 0.000 0.235 220 S C 1.692 176.182 174.600 -0.184 0.000 0.974 220 S CA 0.602 58.699 58.200 -0.173 0.000 0.942 220 S CB -0.303 62.849 63.200 -0.081 0.000 0.766 220 S HN 0.248 nan 8.310 nan 0.000 0.536 221 L N 0.210 121.342 121.223 -0.151 0.000 2.640 221 L HA 0.477 4.823 4.340 0.010 0.000 0.230 221 L C 0.068 176.933 176.870 -0.009 0.000 1.123 221 L CA -0.362 54.461 54.840 -0.028 0.000 0.900 221 L CB -0.051 42.052 42.059 0.073 0.000 1.146 221 L HN 0.524 nan 8.230 nan 0.000 0.484 222 F N -4.322 115.396 119.950 -0.387 0.000 2.773 222 F HA 0.445 4.977 4.527 0.009 0.000 0.314 222 F C 0.301 175.690 175.800 -0.686 0.000 1.160 222 F CA -0.994 56.723 58.000 -0.473 0.000 0.920 222 F CB 0.796 39.701 39.000 -0.158 0.000 1.323 222 F HN -0.158 nan 8.300 nan 0.000 0.457 223 H N -0.680 118.439 119.070 0.082 0.000 3.091 223 H HA 0.452 5.014 4.556 0.010 0.000 0.249 223 H C -0.126 175.242 175.328 0.067 0.000 0.985 223 H CA -0.037 55.986 56.048 -0.042 0.000 1.177 223 H CB 0.984 30.727 29.762 -0.032 0.000 1.456 223 H HN 0.419 nan 8.280 nan 0.000 0.467 224 R N 0.277 120.984 120.500 0.346 0.000 2.774 224 R HA 0.718 5.064 4.340 0.010 0.000 0.272 224 R C -1.390 175.172 176.300 0.435 0.000 1.000 224 R CA -0.684 55.593 56.100 0.295 0.000 0.906 224 R CB 2.953 33.267 30.300 0.023 0.000 1.227 224 R HN 0.142 nan 8.270 nan 0.000 0.468 225 A N 1.330 124.414 122.820 0.439 0.000 2.486 225 A HA 0.651 4.977 4.320 0.010 0.000 0.300 225 A C -1.368 176.330 177.584 0.190 0.000 1.048 225 A CA -0.596 51.608 52.037 0.277 0.000 0.696 225 A CB 1.841 20.955 19.000 0.191 0.000 1.278 225 A HN 0.322 nan 8.150 nan 0.000 0.405 226 V N 2.525 122.518 119.914 0.132 0.000 2.448 226 V HA 0.492 4.618 4.120 0.010 0.000 0.295 226 V C -1.067 175.106 176.094 0.132 0.000 1.025 226 V CA -0.338 61.989 62.300 0.044 0.000 0.859 226 V CB 1.192 33.051 31.823 0.060 0.000 0.988 226 V HN 0.684 nan 8.190 nan 0.000 0.431 227 L N 5.349 126.626 121.223 0.089 0.000 2.316 227 L HA 0.512 4.858 4.340 0.010 0.000 0.280 227 L C 0.040 177.010 176.870 0.167 0.000 1.006 227 L CA 0.004 54.897 54.840 0.088 0.000 0.836 227 L CB 1.495 43.561 42.059 0.011 0.000 1.221 227 L HN 0.616 nan 8.230 nan 0.000 0.418 228 Q N 2.001 121.946 119.800 0.242 0.000 2.331 228 Q HA 0.421 4.767 4.340 0.010 0.000 0.257 228 Q C 0.153 176.265 176.000 0.187 0.000 0.957 228 Q CA -0.512 55.492 55.803 0.334 0.000 0.923 228 Q CB 1.166 30.196 28.738 0.488 0.000 1.212 228 Q HN 0.638 nan 8.270 nan 0.000 0.443 229 S N 1.065 116.850 115.700 0.142 0.000 3.559 229 S HA -0.169 4.307 4.470 0.010 0.000 0.369 229 S C 0.069 174.748 174.600 0.131 0.000 0.987 229 S CA 0.496 58.766 58.200 0.116 0.000 1.187 229 S CB -1.262 62.020 63.200 0.137 0.000 0.914 229 S HN 0.989 nan 8.310 nan 0.000 0.480 230 G N -0.338 108.541 108.800 0.131 0.000 2.616 230 G HA2 0.656 4.622 3.960 0.010 0.000 0.294 230 G HA3 0.656 4.622 3.960 0.010 0.000 0.294 230 G C -0.925 174.020 174.900 0.075 0.000 1.489 230 G CA 0.118 45.354 45.100 0.227 0.000 0.836 230 G HN 0.966 nan 8.290 nan 0.000 0.527 231 T N -1.105 113.443 114.554 -0.010 0.000 2.923 231 T HA 0.723 5.079 4.350 0.010 0.000 0.311 231 T C -2.275 172.267 174.700 -0.265 0.000 1.183 231 T CA -1.369 60.651 62.100 -0.133 0.000 1.020 231 T CB 3.098 71.884 68.868 -0.136 0.000 1.165 231 T HN 0.294 nan 8.240 nan 0.000 0.482 232 P HA -0.033 nan 4.420 nan 0.000 0.221 232 P C 0.254 177.393 177.300 -0.269 0.000 1.150 232 P CA 0.676 63.644 63.100 -0.222 0.000 0.800 232 P CB -0.023 31.599 31.700 -0.129 0.000 0.787 233 N N 0.568 119.130 118.700 -0.230 0.000 2.408 233 N HA 0.327 5.073 4.740 0.010 0.000 0.260 233 N C 0.709 176.023 175.510 -0.326 0.000 1.242 233 N CA 0.521 53.438 53.050 -0.221 0.000 0.959 233 N CB 0.556 38.961 38.487 -0.137 0.000 1.201 233 N HN 0.195 nan 8.380 nan 0.000 0.511 234 G N -0.720 107.909 108.800 -0.285 0.000 2.462 234 G HA2 -0.108 3.859 3.960 0.010 0.000 0.685 234 G HA3 -0.108 3.859 3.960 0.010 0.000 0.685 234 G C -2.391 172.290 174.900 -0.366 0.000 1.295 234 G CA -0.265 44.626 45.100 -0.348 0.000 0.941 234 G HN 0.512 nan 8.290 nan 0.000 0.554 235 P HA 0.123 nan 4.420 nan 0.000 0.236 235 P C 1.276 178.546 177.300 -0.050 0.000 1.177 235 P CA 1.887 64.883 63.100 -0.174 0.000 0.773 235 P CB -0.033 31.530 31.700 -0.228 0.000 0.878 236 W N -2.108 119.157 121.300 -0.059 0.000 2.773 236 W HA 0.556 5.222 4.660 0.009 0.000 0.297 236 W C 1.040 177.653 176.519 0.157 0.000 1.050 236 W CA 0.418 57.803 57.345 0.068 0.000 1.467 236 W CB -0.727 28.870 29.460 0.228 0.000 0.977 236 W HN -0.180 nan 8.180 nan 0.000 0.573 237 A N 2.041 124.516 122.820 -0.574 0.000 2.119 237 A HA 0.144 4.470 4.320 0.010 0.000 0.216 237 A C 1.091 178.527 177.584 -0.247 0.000 1.152 237 A CA 1.857 53.616 52.037 -0.463 0.000 0.708 237 A CB -0.760 17.712 19.000 -0.881 0.000 0.805 237 A HN 0.245 nan 8.150 nan 0.000 0.460 238 T N -3.345 111.081 114.554 -0.214 0.000 2.864 238 T HA 0.598 4.954 4.350 0.010 0.000 0.299 238 T C -0.739 173.884 174.700 -0.128 0.000 1.166 238 T CA -0.122 61.861 62.100 -0.195 0.000 1.007 238 T CB 1.442 70.201 68.868 -0.183 0.000 1.219 238 T HN 0.910 nan 8.240 nan 0.000 0.506 239 V N -1.085 118.760 119.914 -0.114 0.000 2.962 239 V HA 0.905 5.031 4.120 0.010 0.000 0.313 239 V C 0.364 176.418 176.094 -0.068 0.000 1.099 239 V CA -0.800 61.450 62.300 -0.083 0.000 0.971 239 V CB 1.331 33.104 31.823 -0.083 0.000 1.028 239 V HN 1.405 nan 8.190 nan 0.000 0.430 240 S N 2.197 117.865 115.700 -0.054 0.000 2.589 240 S HA 0.516 4.992 4.470 0.010 0.000 0.265 240 S C 1.464 176.044 174.600 -0.033 0.000 1.342 240 S CA 0.174 58.349 58.200 -0.040 0.000 1.005 240 S CB 1.069 64.248 63.200 -0.034 0.000 0.909 240 S HN 1.985 nan 8.310 nan 0.000 0.555 241 A N 2.071 124.877 122.820 -0.023 0.000 1.883 241 A HA 0.091 4.417 4.320 0.010 0.000 0.217 241 A C 2.282 179.855 177.584 -0.018 0.000 1.186 241 A CA 1.871 53.898 52.037 -0.016 0.000 0.624 241 A CB -1.949 17.044 19.000 -0.011 0.000 0.822 241 A HN 1.202 nan 8.150 nan 0.000 0.444 242 G N -0.434 108.354 108.800 -0.020 0.000 2.476 242 G HA2 -0.302 3.664 3.960 0.010 0.000 0.218 242 G HA3 -0.302 3.664 3.960 0.010 0.000 0.218 242 G C 1.491 176.376 174.900 -0.026 0.000 1.164 242 G CA 1.526 46.614 45.100 -0.021 0.000 0.768 242 G HN 0.585 nan 8.290 nan 0.000 0.560 243 E N 0.986 121.166 120.200 -0.033 0.000 2.106 243 E HA 0.104 4.460 4.350 0.010 0.000 0.192 243 E C 2.643 179.213 176.600 -0.050 0.000 0.984 243 E CA 1.383 57.756 56.400 -0.045 0.000 0.806 243 E CB -0.600 29.068 29.700 -0.053 0.000 0.750 243 E HN 0.284 nan 8.360 nan 0.000 0.458 244 A N 0.899 123.697 122.820 -0.036 0.000 1.933 244 A HA -0.171 4.155 4.320 0.010 0.000 0.218 244 A C 2.290 179.880 177.584 0.011 0.000 1.175 244 A CA 1.733 53.764 52.037 -0.010 0.000 0.628 244 A CB -0.607 18.400 19.000 0.010 0.000 0.814 244 A HN 0.285 nan 8.150 nan 0.000 0.444 245 R N -0.564 119.932 120.500 -0.006 0.000 2.092 245 R HA -0.091 4.255 4.340 0.010 0.000 0.231 245 R C 2.408 178.703 176.300 -0.008 0.000 1.119 245 R CA 1.436 57.530 56.100 -0.009 0.000 0.970 245 R CB -0.313 29.977 30.300 -0.016 0.000 0.864 245 R HN 0.489 nan 8.270 nan 0.000 0.440 246 R N 0.574 121.065 120.500 -0.016 0.000 2.066 246 R HA -0.097 4.249 4.340 0.010 0.000 0.232 246 R C 2.135 178.427 176.300 -0.014 0.000 1.131 246 R CA 1.673 57.762 56.100 -0.019 0.000 0.955 246 R CB -0.086 30.197 30.300 -0.028 0.000 0.851 246 R HN 0.270 nan 8.270 nan 0.000 0.432 247 R N -0.221 120.262 120.500 -0.029 0.000 2.115 247 R HA -0.037 4.309 4.340 0.010 0.000 0.230 247 R C 2.291 178.662 176.300 0.118 0.000 1.111 247 R CA 1.193 57.268 56.100 -0.041 0.000 0.976 247 R CB -0.231 29.920 30.300 -0.249 0.000 0.870 247 R HN 0.234 nan 8.270 nan 0.000 0.445 248 A N 0.610 123.520 122.820 0.151 0.000 1.873 248 A HA -0.115 4.211 4.320 0.010 0.000 0.215 248 A C 2.155 179.746 177.584 0.011 0.000 1.186 248 A CA 1.735 53.843 52.037 0.118 0.000 0.616 248 A CB -0.802 18.208 19.000 0.017 0.000 0.823 248 A HN 0.236 nan 8.150 nan 0.000 0.442 249 T N 0.411 114.962 114.554 -0.004 0.000 2.684 249 T HA -0.178 4.178 4.350 0.010 0.000 0.267 249 T C 1.837 176.533 174.700 -0.008 0.000 1.036 249 T CA 1.624 63.713 62.100 -0.019 0.000 1.148 249 T CB -0.445 68.412 68.868 -0.018 0.000 0.863 249 T HN 0.271 nan 8.240 nan 0.000 0.436 250 L N 1.107 122.336 121.223 0.010 0.000 2.017 250 L HA 0.059 4.405 4.340 0.010 0.000 0.208 250 L C 2.280 179.167 176.870 0.027 0.000 1.073 250 L CA 1.484 56.334 54.840 0.017 0.000 0.745 250 L CB -1.104 40.969 42.059 0.022 0.000 0.894 250 L HN 0.261 nan 8.230 nan 0.000 0.432 251 L N -0.496 120.767 121.223 0.067 0.000 2.012 251 L HA -0.213 4.134 4.340 0.010 0.000 0.210 251 L C 2.520 179.378 176.870 -0.021 0.000 1.073 251 L CA 2.004 56.886 54.840 0.069 0.000 0.748 251 L CB -0.666 41.484 42.059 0.153 0.000 0.891 251 L HN 0.332 nan 8.230 nan 0.000 0.431 252 A N -0.093 122.702 122.820 -0.041 0.000 1.873 252 A HA -0.305 4.021 4.320 0.010 0.000 0.218 252 A C 2.346 179.896 177.584 -0.057 0.000 1.193 252 A CA 2.244 54.245 52.037 -0.061 0.000 0.629 252 A CB -0.761 18.200 19.000 -0.066 0.000 0.826 252 A HN 0.530 nan 8.150 nan 0.000 0.447 253 R N -0.765 119.709 120.500 -0.044 0.000 2.115 253 R HA -0.171 4.175 4.340 0.010 0.000 0.239 253 R C 2.073 178.327 176.300 -0.077 0.000 1.133 253 R CA 1.851 57.924 56.100 -0.044 0.000 0.935 253 R CB -0.744 29.540 30.300 -0.027 0.000 0.853 253 R HN 0.561 nan 8.270 nan 0.000 0.433 254 L N 0.790 121.951 121.223 -0.103 0.000 2.349 254 L HA -0.131 4.215 4.340 0.010 0.000 0.220 254 L C 1.945 178.570 176.870 -0.410 0.000 1.130 254 L CA 0.747 55.450 54.840 -0.228 0.000 0.791 254 L CB -0.228 41.709 42.059 -0.204 0.000 0.918 254 L HN 0.211 nan 8.230 nan 0.000 0.444 255 V N -4.882 114.883 119.914 -0.248 0.000 3.528 255 V HA 0.565 4.691 4.120 0.010 0.000 0.294 255 V C 1.040 177.088 176.094 -0.077 0.000 1.404 255 V CA 0.182 62.374 62.300 -0.180 0.000 1.065 255 V CB 0.145 31.910 31.823 -0.096 0.000 0.904 255 V HN 0.340 nan 8.190 nan 0.000 0.435 256 G N -0.211 108.548 108.800 -0.069 0.000 2.167 256 G HA2 -0.172 3.794 3.960 0.010 0.000 0.194 256 G HA3 -0.172 3.794 3.960 0.010 0.000 0.194 256 G C -0.182 174.703 174.900 -0.025 0.000 1.027 256 G CA -0.159 44.920 45.100 -0.035 0.000 0.717 256 G HN 0.673 nan 8.290 nan 0.000 0.501 257 c N 0.747 119.328 118.600 -0.032 0.000 2.408 257 c HA 0.722 5.298 4.570 0.010 0.000 0.321 257 c C -1.293 172.781 174.090 -0.026 0.000 1.245 257 c CA -1.349 54.965 56.329 -0.025 0.000 1.523 257 c CB 1.635 44.128 42.510 -0.027 0.000 2.178 257 c HN 0.438 nan 8.230 nan 0.000 0.488 265 N N 2.350 121.044 118.700 -0.009 0.000 2.030 265 N HA -0.002 4.744 4.740 0.010 0.000 0.292 265 N C 0.642 176.143 175.510 -0.015 0.000 1.315 265 N CA 0.412 53.456 53.050 -0.010 0.000 0.810 265 N CB 0.835 39.319 38.487 -0.006 0.000 1.048 265 N HN 0.296 nan 8.380 nan 0.000 0.492 266 D N 1.439 121.828 120.400 -0.018 0.000 2.144 266 D HA -0.107 4.540 4.640 0.010 0.000 0.199 266 D C 1.373 177.660 176.300 -0.022 0.000 0.984 266 D CA 1.322 55.306 54.000 -0.027 0.000 0.834 266 D CB -0.099 40.685 40.800 -0.027 0.000 0.955 266 D HN 0.525 nan 8.370 nan 0.000 0.465 267 T N 1.379 115.927 114.554 -0.010 0.000 2.635 267 T HA -0.225 4.131 4.350 0.010 0.000 0.267 267 T C 1.786 176.487 174.700 0.001 0.000 1.040 267 T CA 1.890 63.989 62.100 -0.001 0.000 1.156 267 T CB -0.329 68.541 68.868 0.004 0.000 0.863 267 T HN 0.523 nan 8.240 nan 0.000 0.430 268 E N 0.973 121.171 120.200 -0.003 0.000 2.285 268 E HA 0.021 4.377 4.350 0.010 0.000 0.194 268 E C 2.297 178.894 176.600 -0.004 0.000 0.997 268 E CA 0.451 56.851 56.400 0.000 0.000 0.845 268 E CB -0.495 29.204 29.700 -0.000 0.000 0.782 268 E HN 0.421 nan 8.360 nan 0.000 0.491 269 L N 0.983 122.196 121.223 -0.017 0.000 1.994 269 L HA -0.140 4.206 4.340 0.010 0.000 0.208 269 L C 2.434 179.284 176.870 -0.032 0.000 1.071 269 L CA 1.433 56.254 54.840 -0.031 0.000 0.745 269 L CB -0.103 41.927 42.059 -0.048 0.000 0.892 269 L HN 0.146 nan 8.230 nan 0.000 0.431 270 I N -0.291 120.258 120.570 -0.034 0.000 2.252 270 I HA -0.264 3.912 4.170 0.010 0.000 0.245 270 I C 2.718 178.883 176.117 0.080 0.000 1.102 270 I CA 1.038 62.330 61.300 -0.012 0.000 1.385 270 I CB -0.615 37.378 38.000 -0.010 0.000 1.064 270 I HN 0.330 nan 8.210 nan 0.000 0.414 271 A N -0.156 122.695 122.820 0.052 0.000 1.908 271 A HA -0.306 4.020 4.320 0.010 0.000 0.218 271 A C 2.540 180.157 177.584 0.054 0.000 1.181 271 A CA 2.078 54.148 52.037 0.055 0.000 0.627 271 A CB -1.342 17.676 19.000 0.031 0.000 0.818 271 A HN 0.635 nan 8.150 nan 0.000 0.445 272 c N -0.646 117.977 118.600 0.038 0.000 2.453 272 c HA 0.016 4.592 4.570 0.010 0.000 0.277 272 c C 2.584 176.705 174.090 0.051 0.000 1.262 272 c CA 1.025 57.373 56.329 0.031 0.000 1.718 272 c CB -1.601 40.916 42.510 0.011 0.000 2.031 272 c HN 0.595 nan 8.230 nan 0.000 0.480 273 L N 0.557 121.820 121.223 0.067 0.000 2.089 273 L HA -0.210 4.136 4.340 0.010 0.000 0.213 273 L C 2.974 179.972 176.870 0.213 0.000 1.079 273 L CA 1.862 56.784 54.840 0.135 0.000 0.758 273 L CB -0.644 41.479 42.059 0.107 0.000 0.891 273 L HN 0.393 nan 8.230 nan 0.000 0.433 274 R N -0.735 119.887 120.500 0.203 0.000 2.189 274 R HA -0.113 4.233 4.340 0.010 0.000 0.223 274 R C 2.090 178.410 176.300 0.033 0.000 1.092 274 R CA 1.648 57.803 56.100 0.091 0.000 0.989 274 R CB -0.363 29.978 30.300 0.069 0.000 0.876 274 R HN 0.523 nan 8.270 nan 0.000 0.457 275 T N -1.767 112.812 114.554 0.042 0.000 3.107 275 T HA 0.138 4.494 4.350 0.010 0.000 0.249 275 T C 0.796 175.510 174.700 0.023 0.000 1.096 275 T CA -0.203 61.910 62.100 0.023 0.000 1.012 275 T CB 0.196 69.077 68.868 0.022 0.000 0.977 275 T HN -0.161 nan 8.240 nan 0.000 0.527 276 R N 2.744 123.266 120.500 0.037 0.000 2.357 276 R HA 0.450 4.796 4.340 0.010 0.000 0.296 276 R C -2.733 173.584 176.300 0.028 0.000 1.052 276 R CA -2.700 53.422 56.100 0.038 0.000 0.988 276 R CB 0.220 30.550 30.300 0.050 0.000 1.025 276 R HN 0.256 nan 8.270 nan 0.000 0.469 277 P HA 0.056 nan 4.420 nan 0.000 0.269 277 P C 0.223 177.515 177.300 -0.014 0.000 1.209 277 P CA -0.002 63.092 63.100 -0.009 0.000 0.776 277 P CB 0.594 32.296 31.700 0.004 0.000 0.876 278 A N 2.050 124.790 122.820 -0.134 0.000 1.908 278 A HA -0.272 4.054 4.320 0.010 0.000 0.218 278 A C 2.176 179.717 177.584 -0.071 0.000 1.181 278 A CA 1.868 53.800 52.037 -0.175 0.000 0.627 278 A CB -1.272 17.138 19.000 -0.983 0.000 0.818 278 A HN 0.528 nan 8.150 nan 0.000 0.445 279 Q N 0.080 119.813 119.800 -0.112 0.000 2.170 279 Q HA -0.170 4.176 4.340 0.010 0.000 0.203 279 Q C 1.348 177.456 176.000 0.179 0.000 0.976 279 Q CA 2.042 57.936 55.803 0.152 0.000 0.858 279 Q CB -0.467 28.377 28.738 0.177 0.000 0.907 279 Q HN 0.666 nan 8.270 nan 0.000 0.433 280 D N -0.693 119.791 120.400 0.140 0.000 2.104 280 D HA -0.154 4.492 4.640 0.010 0.000 0.194 280 D C 1.674 178.105 176.300 0.219 0.000 0.994 280 D CA 1.262 55.374 54.000 0.187 0.000 0.830 280 D CB -0.110 40.777 40.800 0.145 0.000 0.959 280 D HN 0.286 nan 8.370 nan 0.000 0.452 281 L N -0.101 121.209 121.223 0.144 0.000 2.056 281 L HA -0.118 4.228 4.340 0.010 0.000 0.207 281 L C 2.433 179.373 176.870 0.117 0.000 1.078 281 L CA 0.585 55.465 54.840 0.066 0.000 0.749 281 L CB -0.638 41.331 42.059 -0.150 0.000 0.901 281 L HN -0.009 nan 8.230 nan 0.000 0.433 282 V N 0.090 120.143 119.914 0.232 0.000 2.332 282 V HA -0.292 3.834 4.120 0.010 0.000 0.248 282 V C 2.068 178.292 176.094 0.217 0.000 1.055 282 V CA 1.955 64.438 62.300 0.305 0.000 1.038 282 V CB -0.621 31.496 31.823 0.491 0.000 0.651 282 V HN 0.423 nan 8.190 nan 0.000 0.450 283 D N -0.855 119.646 120.400 0.168 0.000 2.218 283 D HA -0.139 4.507 4.640 0.010 0.000 0.204 283 D C 1.825 177.978 176.300 -0.246 0.000 0.976 283 D CA 1.406 55.411 54.000 0.009 0.000 0.853 283 D CB -0.212 40.570 40.800 -0.030 0.000 0.939 283 D HN 0.637 nan 8.370 nan 0.000 0.481 284 H N -0.947 118.127 119.070 0.008 0.000 2.705 284 H HA 0.171 4.733 4.556 0.010 0.000 0.269 284 H C 1.536 176.762 175.328 -0.169 0.000 0.998 284 H CA -0.012 55.984 56.048 -0.087 0.000 1.193 284 H CB 0.554 30.374 29.762 0.098 0.000 1.485 284 H HN 0.075 nan 8.280 nan 0.000 0.521 285 E N 0.533 120.712 120.200 -0.035 0.000 2.114 285 E HA -0.246 4.110 4.350 0.010 0.000 0.199 285 E C 0.603 176.994 176.600 -0.349 0.000 1.008 285 E CA 1.626 57.962 56.400 -0.107 0.000 0.810 285 E CB -0.063 29.526 29.700 -0.185 0.000 0.739 285 E HN 0.595 nan 8.360 nan 0.000 0.456 286 W N -0.463 120.669 121.300 -0.281 0.000 3.180 286 W HA 0.042 4.708 4.660 0.010 0.000 0.254 286 W C 1.217 177.658 176.519 -0.130 0.000 1.318 286 W CA -0.066 57.117 57.345 -0.271 0.000 1.608 286 W CB 0.356 29.607 29.460 -0.348 0.000 1.124 286 W HN 0.178 nan 8.180 nan 0.000 0.694 287 H N -0.313 118.843 119.070 0.144 0.000 2.524 287 H HA 0.116 4.678 4.556 0.010 0.000 0.280 287 H C 1.667 177.027 175.328 0.053 0.000 1.018 287 H CA 0.494 56.609 56.048 0.113 0.000 1.165 287 H CB -0.569 29.287 29.762 0.155 0.000 1.411 287 H HN 0.222 nan 8.280 nan 0.000 0.569 288 V N -2.368 117.590 119.914 0.073 0.000 3.427 288 V HA 0.288 4.414 4.120 0.010 0.000 0.305 288 V C 0.525 176.570 176.094 -0.081 0.000 1.412 288 V CA -0.239 62.053 62.300 -0.013 0.000 1.086 288 V CB -0.268 31.516 31.823 -0.065 0.000 0.964 288 V HN -0.025 nan 8.190 nan 0.000 0.439 289 L N 2.320 123.509 121.223 -0.056 0.000 2.380 289 L HA 0.374 4.720 4.340 0.010 0.000 0.273 289 L C -0.505 176.345 176.870 -0.034 0.000 1.138 289 L CA -1.341 53.457 54.840 -0.070 0.000 0.832 289 L CB 1.028 43.062 42.059 -0.042 0.000 1.124 289 L HN 0.081 nan 8.230 nan 0.000 0.454 290 P HA -0.099 nan 4.420 nan 0.000 0.220 290 P C -0.256 177.037 177.300 -0.012 0.000 1.148 290 P CA 1.123 64.208 63.100 -0.026 0.000 0.803 290 P CB 0.398 32.080 31.700 -0.031 0.000 0.782 291 Q N -1.363 118.430 119.800 -0.012 0.000 2.495 291 Q HA 0.325 4.671 4.340 0.010 0.000 0.287 291 Q C -0.593 175.408 176.000 0.001 0.000 1.078 291 Q CA -0.755 55.046 55.803 -0.003 0.000 0.793 291 Q CB 1.439 30.175 28.738 -0.004 0.000 1.459 291 Q HN -0.055 nan 8.270 nan 0.000 0.422 292 E N 1.052 121.256 120.200 0.006 0.000 2.417 292 E HA 0.278 4.634 4.350 0.010 0.000 0.261 292 E C -0.922 175.676 176.600 -0.003 0.000 1.000 292 E CA 0.205 56.609 56.400 0.008 0.000 0.919 292 E CB 0.351 30.058 29.700 0.012 0.000 0.955 292 E HN 0.621 nan 8.360 nan 0.000 0.455 293 S N 3.639 119.329 115.700 -0.015 0.000 2.688 293 S HA 0.682 5.158 4.470 0.010 0.000 0.275 293 S C -0.487 174.075 174.600 -0.064 0.000 1.175 293 S CA -1.011 57.169 58.200 -0.033 0.000 0.818 293 S CB 0.789 63.958 63.200 -0.051 0.000 1.157 293 S HN 0.554 nan 8.310 nan 0.000 0.482 294 I N -3.505 117.023 120.570 -0.070 0.000 2.934 294 I HA 0.804 4.980 4.170 0.010 0.000 0.306 294 I C -0.435 175.580 176.117 -0.171 0.000 1.110 294 I CA -1.210 60.009 61.300 -0.135 0.000 1.019 294 I CB 1.363 39.371 38.000 0.013 0.000 1.227 294 I HN 0.748 nan 8.210 nan 0.000 0.434 295 F N 1.575 121.135 119.950 -0.650 0.000 3.091 295 F HA -0.179 4.355 4.527 0.011 0.000 0.288 295 F C -0.267 174.935 175.800 -0.998 0.000 0.907 295 F CA 0.698 58.235 58.000 -0.771 0.000 1.028 295 F CB -0.577 38.214 39.000 -0.349 0.000 1.022 295 F HN 0.594 nan 8.300 nan 0.000 0.665 296 R N 0.342 120.169 120.500 -1.121 0.000 2.621 296 R HA 0.659 5.005 4.340 0.010 0.000 0.284 296 R C -1.034 174.632 176.300 -1.057 0.000 0.998 296 R CA -0.580 54.995 56.100 -0.875 0.000 0.895 296 R CB 1.351 31.463 30.300 -0.314 0.000 1.195 296 R HN 0.007 nan 8.270 nan 0.000 0.450 297 F N -0.794 119.177 119.950 0.035 0.000 2.565 297 F HA 0.370 4.903 4.527 0.009 0.000 0.313 297 F C 1.463 177.109 175.800 -0.257 0.000 1.091 297 F CA -0.819 57.126 58.000 -0.092 0.000 0.915 297 F CB 1.910 40.974 39.000 0.107 0.000 1.208 297 F HN 0.332 nan 8.300 nan 0.000 0.453 298 S N 0.705 116.173 115.700 -0.386 0.000 2.355 298 S HA 0.012 4.488 4.470 0.010 0.000 0.222 298 S C -0.003 174.044 174.600 -0.923 0.000 1.031 298 S CA 1.134 58.910 58.200 -0.706 0.000 0.993 298 S CB -0.195 62.453 63.200 -0.919 0.000 0.859 298 S HN 0.364 nan 8.310 nan 0.000 0.453 299 F N 1.644 121.555 119.950 -0.064 0.000 2.366 299 F HA 0.542 5.075 4.527 0.010 0.000 0.366 299 F C 0.002 175.759 175.800 -0.071 0.000 1.096 299 F CA -1.047 56.952 58.000 -0.001 0.000 1.060 299 F CB 1.089 40.127 39.000 0.063 0.000 1.282 299 F HN -0.109 nan 8.300 nan 0.000 0.450 300 V N 0.549 120.381 119.914 -0.136 0.000 3.155 300 V HA 0.773 4.899 4.120 0.010 0.000 0.313 300 V C -2.856 172.809 176.094 -0.716 0.000 1.162 300 V CA -3.420 58.483 62.300 -0.662 0.000 1.048 300 V CB 1.975 33.642 31.823 -0.260 0.000 1.092 300 V HN 0.250 nan 8.190 nan 0.000 0.447 301 P HA 0.118 nan 4.420 nan 0.000 0.263 301 P C -0.569 176.581 177.300 -0.251 0.000 1.175 301 P CA 0.497 63.295 63.100 -0.504 0.000 0.761 301 P CB 0.524 31.863 31.700 -0.602 0.000 0.794 302 V N 5.130 124.977 119.914 -0.111 0.000 2.532 302 V HA 0.196 4.322 4.120 0.010 0.000 0.295 302 V C -0.213 175.847 176.094 -0.056 0.000 1.041 302 V CA -0.753 61.506 62.300 -0.068 0.000 0.926 302 V CB 1.792 33.606 31.823 -0.015 0.000 0.992 302 V HN 0.142 nan 8.190 nan 0.000 0.457 303 V N 7.393 127.280 119.914 -0.045 0.000 2.364 303 V HA 0.185 4.311 4.120 0.010 0.000 0.252 303 V C 0.704 176.798 176.094 -0.000 0.000 1.075 303 V CA 0.216 62.504 62.300 -0.020 0.000 1.033 303 V CB 0.148 31.956 31.823 -0.026 0.000 1.116 303 V HN 1.057 nan 8.190 nan 0.000 0.488 304 D N 2.712 123.126 120.400 0.022 0.000 2.360 304 D HA 0.120 4.766 4.640 0.010 0.000 0.210 304 D C 1.573 177.893 176.300 0.033 0.000 1.047 304 D CA 0.615 54.632 54.000 0.029 0.000 0.854 304 D CB 0.377 41.206 40.800 0.048 0.000 0.936 304 D HN 0.669 nan 8.370 nan 0.000 0.514 305 G N 0.847 109.668 108.800 0.035 0.000 2.168 305 G HA2 -0.338 3.628 3.960 0.010 0.000 0.257 305 G HA3 -0.338 3.628 3.960 0.010 0.000 0.257 305 G C 0.417 175.339 174.900 0.038 0.000 0.997 305 G CA 0.901 46.018 45.100 0.030 0.000 0.708 305 G HN 0.534 nan 8.290 nan 0.000 0.520 306 D N -1.509 118.930 120.400 0.065 0.000 3.074 306 D HA 0.208 4.854 4.640 0.010 0.000 0.227 306 D C 1.801 178.156 176.300 0.092 0.000 1.553 306 D CA 0.325 54.367 54.000 0.069 0.000 1.347 306 D CB -0.570 40.279 40.800 0.081 0.000 1.021 306 D HN 0.067 nan 8.370 nan 0.000 0.260 307 F N 1.251 121.203 119.950 0.003 0.000 2.065 307 F HA 0.093 4.626 4.527 0.010 0.000 0.298 307 F C 0.735 176.530 175.800 -0.008 0.000 1.112 307 F CA 1.286 59.286 58.000 0.001 0.000 1.212 307 F CB 0.014 39.010 39.000 -0.008 0.000 0.975 307 F HN -0.005 nan 8.300 nan 0.000 0.476 308 L N 0.688 122.088 121.223 0.295 0.000 2.276 308 L HA 0.182 4.528 4.340 0.010 0.000 0.286 308 L C 1.319 178.239 176.870 0.082 0.000 1.024 308 L CA -0.145 54.794 54.840 0.166 0.000 0.826 308 L CB 1.400 43.524 42.059 0.108 0.000 1.211 308 L HN 0.104 nan 8.230 nan 0.000 0.422 309 S N 0.569 116.301 115.700 0.053 0.000 2.461 309 S HA 0.024 4.500 4.470 0.010 0.000 0.228 309 S C 0.431 175.043 174.600 0.021 0.000 1.005 309 S CA 0.279 58.496 58.200 0.029 0.000 0.942 309 S CB 0.223 63.431 63.200 0.013 0.000 0.776 309 S HN 0.695 nan 8.310 nan 0.000 0.514 310 D N 0.404 120.817 120.400 0.022 0.000 2.759 310 D HA 0.310 4.956 4.640 0.010 0.000 0.321 310 D C -0.730 175.573 176.300 0.006 0.000 1.267 310 D CA 0.012 54.018 54.000 0.011 0.000 0.933 310 D CB 1.402 42.207 40.800 0.008 0.000 1.431 310 D HN 0.202 nan 8.370 nan 0.000 0.504 311 T N -0.947 113.604 114.554 -0.006 0.000 2.903 311 T HA 0.216 4.572 4.350 0.010 0.000 0.314 311 T C -1.797 172.894 174.700 -0.014 0.000 1.078 311 T CA -0.577 61.511 62.100 -0.020 0.000 1.114 311 T CB 1.011 69.862 68.868 -0.029 0.000 0.987 311 T HN 0.098 nan 8.240 nan 0.000 0.548 312 P HA -0.070 nan 4.420 nan 0.000 0.215 312 P C 1.406 178.699 177.300 -0.011 0.000 1.153 312 P CA 1.085 64.169 63.100 -0.026 0.000 0.853 312 P CB 0.039 31.692 31.700 -0.077 0.000 0.788 313 E N -0.147 120.035 120.200 -0.029 0.000 2.065 313 E HA -0.226 4.130 4.350 0.010 0.000 0.201 313 E C 2.155 178.762 176.600 0.013 0.000 1.016 313 E CA 1.956 58.348 56.400 -0.013 0.000 0.818 313 E CB -1.315 28.371 29.700 -0.025 0.000 0.749 313 E HN 0.147 nan 8.360 nan 0.000 0.453 314 A N 0.469 123.295 122.820 0.009 0.000 1.883 314 A HA -0.171 4.155 4.320 0.010 0.000 0.217 314 A C 2.231 179.836 177.584 0.036 0.000 1.186 314 A CA 1.510 53.557 52.037 0.016 0.000 0.624 314 A CB -0.735 18.269 19.000 0.007 0.000 0.822 314 A HN 0.220 nan 8.150 nan 0.000 0.444 315 L N -0.027 121.226 121.223 0.050 0.000 2.217 315 L HA -0.097 4.249 4.340 0.010 0.000 0.211 315 L C 2.537 179.512 176.870 0.174 0.000 1.107 315 L CA 1.172 56.064 54.840 0.086 0.000 0.783 315 L CB -0.706 41.410 42.059 0.095 0.000 0.919 315 L HN 0.665 nan 8.230 nan 0.000 0.442 316 I N -2.326 118.344 120.570 0.167 0.000 2.286 316 I HA -0.152 4.024 4.170 0.010 0.000 0.245 316 I C 2.133 178.393 176.117 0.239 0.000 1.104 316 I CA 1.320 62.777 61.300 0.262 0.000 1.397 316 I CB -0.551 37.517 38.000 0.114 0.000 1.072 316 I HN 0.158 nan 8.210 nan 0.000 0.417 317 N N 1.419 120.191 118.700 0.120 0.000 2.149 317 N HA -0.162 4.584 4.740 0.010 0.000 0.188 317 N C 1.932 177.471 175.510 0.049 0.000 1.019 317 N CA 2.362 55.461 53.050 0.082 0.000 0.857 317 N CB -0.680 37.835 38.487 0.047 0.000 0.997 317 N HN 0.697 nan 8.380 nan 0.000 0.426 318 T N -3.215 111.352 114.554 0.022 0.000 3.054 318 T HA 0.322 4.678 4.350 0.010 0.000 0.255 318 T C 0.827 175.459 174.700 -0.114 0.000 1.035 318 T CA -0.390 61.691 62.100 -0.032 0.000 0.941 318 T CB 0.052 68.907 68.868 -0.023 0.000 1.026 318 T HN 0.079 nan 8.240 nan 0.000 0.533 319 G N 0.727 109.412 108.800 -0.191 0.000 2.476 319 G HA2 0.472 4.438 3.960 0.010 0.000 0.286 319 G HA3 0.472 4.438 3.960 0.010 0.000 0.286 319 G C -1.327 173.068 174.900 -0.842 0.000 1.177 319 G CA -0.545 44.241 45.100 -0.524 0.000 0.870 319 G HN 0.331 nan 8.290 nan 0.000 0.528 320 D N -0.126 119.800 120.400 -0.789 0.000 2.349 320 D HA 0.411 5.057 4.640 0.010 0.000 0.232 320 D C -0.476 175.467 176.300 -0.596 0.000 1.071 320 D CA -0.686 52.990 54.000 -0.541 0.000 0.832 320 D CB 0.727 41.375 40.800 -0.253 0.000 1.086 320 D HN 0.072 nan 8.370 nan 0.000 0.504 321 F N 2.433 122.392 119.950 0.016 0.000 2.735 321 F HA 0.224 4.756 4.527 0.010 0.000 0.304 321 F C 1.902 177.715 175.800 0.022 0.000 1.119 321 F CA -0.502 57.512 58.000 0.024 0.000 1.280 321 F CB -0.141 38.882 39.000 0.038 0.000 0.994 321 F HN 0.334 nan 8.300 nan 0.000 0.520 322 Q N 1.236 121.095 119.800 0.099 0.000 2.062 322 Q HA -0.309 4.037 4.340 0.010 0.000 0.216 322 Q C 1.147 177.193 176.000 0.077 0.000 1.052 322 Q CA 2.534 58.375 55.803 0.063 0.000 0.910 322 Q CB -0.383 28.364 28.738 0.016 0.000 1.043 322 Q HN 0.272 nan 8.270 nan 0.000 0.425 323 D N -1.196 119.247 120.400 0.071 0.000 2.324 323 D HA 0.124 4.770 4.640 0.010 0.000 0.235 323 D C -0.940 175.401 176.300 0.069 0.000 1.095 323 D CA 0.049 54.080 54.000 0.052 0.000 0.871 323 D CB 0.137 40.950 40.800 0.022 0.000 0.906 323 D HN 0.035 nan 8.370 nan 0.000 0.522 324 L N 1.100 122.390 121.223 0.111 0.000 2.305 324 L HA 0.381 4.727 4.340 0.010 0.000 0.284 324 L C -0.958 175.996 176.870 0.141 0.000 1.013 324 L CA -0.542 54.376 54.840 0.130 0.000 0.819 324 L CB 1.545 43.704 42.059 0.167 0.000 1.227 324 L HN -0.188 nan 8.230 nan 0.000 0.417 325 Q N 3.473 123.368 119.800 0.160 0.000 2.293 325 Q HA 0.783 5.129 4.340 0.010 0.000 0.261 325 Q C -1.276 175.013 176.000 0.481 0.000 0.960 325 Q CA -0.482 55.475 55.803 0.256 0.000 0.882 325 Q CB 2.678 31.500 28.738 0.140 0.000 1.275 325 Q HN 0.420 nan 8.270 nan 0.000 0.445 326 V N 2.691 122.880 119.914 0.459 0.000 2.733 326 V HA 0.436 4.562 4.120 0.010 0.000 0.306 326 V C -1.563 174.487 176.094 -0.074 0.000 1.084 326 V CA -0.822 61.614 62.300 0.227 0.000 0.905 326 V CB 2.103 33.973 31.823 0.077 0.000 1.010 326 V HN 0.611 nan 8.190 nan 0.000 0.424 327 L N 7.045 127.988 121.223 -0.466 0.000 2.313 327 L HA 0.922 5.268 4.340 0.010 0.000 0.283 327 L C -0.509 176.250 176.870 -0.185 0.000 1.013 327 L CA -0.174 54.330 54.840 -0.560 0.000 0.816 327 L CB 1.729 43.015 42.059 -1.289 0.000 1.236 327 L HN 0.610 nan 8.230 nan 0.000 0.419 328 V N 2.079 121.970 119.914 -0.038 0.000 3.007 328 V HA 1.129 5.255 4.120 0.010 0.000 0.311 328 V C -0.269 175.673 176.094 -0.253 0.000 1.120 328 V CA 0.259 62.523 62.300 -0.059 0.000 0.980 328 V CB 1.210 32.956 31.823 -0.129 0.000 1.033 328 V HN 1.111 nan 8.190 nan 0.000 0.429 329 G N 0.982 109.486 108.800 -0.493 0.000 2.430 329 G HA2 0.776 4.742 3.960 0.010 0.000 0.300 329 G HA3 0.776 4.742 3.960 0.010 0.000 0.300 329 G C -1.177 173.407 174.900 -0.527 0.000 1.330 329 G CA 0.094 44.542 45.100 -1.087 0.000 0.813 329 G HN 2.111 nan 8.290 nan 0.000 0.487 330 V N -2.311 117.390 119.914 -0.354 0.000 3.159 330 V HA 0.917 5.043 4.120 0.010 0.000 0.308 330 V C 0.286 176.515 176.094 0.225 0.000 1.190 330 V CA -0.379 61.923 62.300 0.003 0.000 1.037 330 V CB 1.119 32.932 31.823 -0.016 0.000 1.060 330 V HN 1.896 nan 8.190 nan 0.000 0.437 331 V N -0.261 119.815 119.914 0.271 0.000 3.109 331 V HA 0.559 4.685 4.120 0.010 0.000 0.317 331 V C 1.441 177.696 176.094 0.268 0.000 1.074 331 V CA -0.050 62.468 62.300 0.363 0.000 1.033 331 V CB 1.173 33.203 31.823 0.346 0.000 1.111 331 V HN 1.047 nan 8.190 nan 0.000 0.458 332 K N -0.124 120.441 120.400 0.274 0.000 2.074 332 K HA -0.114 4.213 4.320 0.010 0.000 0.209 332 K C 0.274 176.968 176.600 0.156 0.000 1.048 332 K CA 2.095 58.497 56.287 0.191 0.000 0.926 332 K CB 0.000 32.597 32.500 0.162 0.000 0.713 332 K HN 0.909 nan 8.250 nan 0.000 0.444 333 D N 0.815 121.301 120.400 0.143 0.000 2.441 333 D HA 0.041 4.687 4.640 0.010 0.000 0.287 333 D C -0.001 176.354 176.300 0.092 0.000 1.198 333 D CA -0.082 53.980 54.000 0.104 0.000 0.894 333 D CB 1.458 42.295 40.800 0.062 0.000 1.070 333 D HN 0.108 nan 8.370 nan 0.000 0.499 334 E N 0.565 120.848 120.200 0.139 0.000 2.268 334 E HA -0.064 4.292 4.350 0.010 0.000 0.195 334 E C 1.831 178.578 176.600 0.246 0.000 0.995 334 E CA 0.411 56.937 56.400 0.210 0.000 0.836 334 E CB 0.304 30.123 29.700 0.199 0.000 0.763 334 E HN 0.456 nan 8.360 nan 0.000 0.491 335 G N 0.800 109.696 108.800 0.160 0.000 2.986 335 G HA2 -0.091 3.875 3.960 0.010 0.000 0.213 335 G HA3 -0.091 3.875 3.960 0.010 0.000 0.213 335 G C 1.607 176.571 174.900 0.107 0.000 1.156 335 G CA 0.563 45.771 45.100 0.180 0.000 0.763 335 G HN 0.301 nan 8.290 nan 0.000 0.547 336 S N -0.365 115.342 115.700 0.012 0.000 2.387 336 S HA -0.106 4.370 4.470 0.010 0.000 0.226 336 S C 2.036 176.526 174.600 -0.183 0.000 1.026 336 S CA 0.744 58.916 58.200 -0.047 0.000 0.972 336 S CB -0.626 62.483 63.200 -0.152 0.000 0.814 336 S HN 0.356 nan 8.310 nan 0.000 0.477 337 Y N 1.379 121.392 120.300 -0.478 0.000 2.114 337 Y HA -0.113 4.443 4.550 0.010 0.000 0.282 337 Y C 1.566 177.251 175.900 -0.360 0.000 1.165 337 Y CA 1.869 59.542 58.100 -0.712 0.000 1.148 337 Y CB -0.318 37.434 38.460 -1.179 0.000 0.972 337 Y HN 0.287 nan 8.280 nan 0.000 0.504 338 F N -0.913 119.162 119.950 0.207 0.000 2.776 338 F HA 0.044 4.577 4.527 0.010 0.000 0.300 338 F C 1.754 177.665 175.800 0.184 0.000 1.116 338 F CA 0.165 58.331 58.000 0.276 0.000 1.375 338 F CB -0.427 38.674 39.000 0.168 0.000 1.109 338 F HN 0.010 nan 8.300 nan 0.000 0.585 339 L N -0.095 121.235 121.223 0.178 0.000 2.079 339 L HA -0.201 4.145 4.340 0.010 0.000 0.210 339 L C 2.431 179.378 176.870 0.129 0.000 1.081 339 L CA 1.440 56.252 54.840 -0.046 0.000 0.752 339 L CB -0.911 40.883 42.059 -0.442 0.000 0.896 339 L HN 0.175 nan 8.230 nan 0.000 0.433 340 V N -4.958 115.080 119.914 0.206 0.000 3.217 340 V HA -0.178 3.948 4.120 0.010 0.000 0.264 340 V C 1.968 178.082 176.094 0.032 0.000 1.135 340 V CA 0.837 63.251 62.300 0.189 0.000 1.142 340 V CB -0.989 30.933 31.823 0.166 0.000 0.754 340 V HN 0.265 nan 8.190 nan 0.000 0.484 341 Y N 2.228 122.636 120.300 0.179 0.000 2.314 341 Y HA 0.457 5.012 4.550 0.010 0.000 0.294 341 Y C 2.336 178.282 175.900 0.077 0.000 1.119 341 Y CA 1.442 59.629 58.100 0.144 0.000 1.179 341 Y CB 0.050 38.646 38.460 0.226 0.000 1.025 341 Y HN 0.424 nan 8.280 nan 0.000 0.541 342 G N -1.020 107.908 108.800 0.213 0.000 4.956 342 G HA2 0.316 4.282 3.960 0.010 0.000 0.263 342 G HA3 0.316 4.282 3.960 0.010 0.000 0.263 342 G C -1.239 173.732 174.900 0.119 0.000 0.958 342 G CA -0.144 45.030 45.100 0.125 0.000 0.749 342 G HN -0.052 nan 8.290 nan 0.000 0.356 343 V N 2.231 122.242 119.914 0.161 0.000 2.347 343 V HA 0.384 4.510 4.120 0.010 0.000 0.280 343 V C -2.131 174.142 176.094 0.298 0.000 1.021 343 V CA -1.860 60.565 62.300 0.208 0.000 0.847 343 V CB 1.836 33.764 31.823 0.175 0.000 0.990 343 V HN 0.049 nan 8.190 nan 0.000 0.444 344 P HA 0.364 nan 4.420 nan 0.000 0.271 344 P C 0.971 178.331 177.300 0.101 0.000 1.216 344 P CA 0.929 64.103 63.100 0.124 0.000 0.776 344 P CB 0.979 32.720 31.700 0.069 0.000 0.881 345 G N 0.974 109.775 108.800 0.002 0.000 2.284 345 G HA2 -0.202 3.764 3.960 0.010 0.000 0.216 345 G HA3 -0.202 3.764 3.960 0.010 0.000 0.216 345 G C -0.186 174.515 174.900 -0.331 0.000 1.009 345 G CA -0.560 44.417 45.100 -0.204 0.000 0.625 345 G HN 0.408 nan 8.290 nan 0.000 0.501 346 F N 1.712 121.657 119.950 -0.009 0.000 2.399 346 F HA 0.771 5.304 4.527 0.010 0.000 0.334 346 F C 0.673 176.535 175.800 0.104 0.000 1.097 346 F CA 0.133 58.139 58.000 0.011 0.000 1.076 346 F CB 2.190 41.242 39.000 0.087 0.000 1.162 346 F HN 0.256 nan 8.300 nan 0.000 0.495 347 S N 1.542 117.459 115.700 0.362 0.000 2.547 347 S HA 0.258 4.734 4.470 0.010 0.000 0.270 347 S C 0.178 175.039 174.600 0.435 0.000 1.150 347 S CA -0.844 57.553 58.200 0.328 0.000 0.850 347 S CB 1.423 64.722 63.200 0.165 0.000 1.118 347 S HN 0.768 nan 8.310 nan 0.000 0.461 348 K N 1.196 121.745 120.400 0.248 0.000 2.288 348 K HA 0.095 4.421 4.320 0.010 0.000 0.201 348 K C 0.132 176.749 176.600 0.029 0.000 1.048 348 K CA 1.294 57.629 56.287 0.080 0.000 0.956 348 K CB -0.145 32.129 32.500 -0.378 0.000 0.746 348 K HN 0.494 nan 8.250 nan 0.000 0.461 349 D N 0.876 121.295 120.400 0.031 0.000 2.339 349 D HA 0.027 4.673 4.640 0.010 0.000 0.217 349 D C -0.347 175.978 176.300 0.042 0.000 1.050 349 D CA 0.226 54.218 54.000 -0.013 0.000 0.856 349 D CB 0.113 40.889 40.800 -0.041 0.000 0.922 349 D HN 0.502 nan 8.370 nan 0.000 0.518 350 N N -1.210 117.555 118.700 0.109 0.000 3.204 350 N HA 0.131 4.877 4.740 0.010 0.000 0.285 350 N C 0.115 175.689 175.510 0.107 0.000 1.536 350 N CA -0.565 52.528 53.050 0.071 0.000 0.832 350 N CB 0.634 39.117 38.487 -0.006 0.000 1.645 350 N HN -0.422 nan 8.380 nan 0.000 0.586 351 E N -0.566 119.621 120.200 -0.022 0.000 2.482 351 E HA 0.138 4.494 4.350 0.010 0.000 0.196 351 E C -0.545 175.728 176.600 -0.545 0.000 1.047 351 E CA 0.351 56.674 56.400 -0.129 0.000 0.869 351 E CB -0.311 29.348 29.700 -0.069 0.000 0.836 351 E HN 0.540 nan 8.360 nan 0.000 0.520 352 S N 0.205 115.608 115.700 -0.495 0.000 3.524 352 S HA -0.211 4.265 4.470 0.010 0.000 0.377 352 S C -0.031 174.167 174.600 -0.671 0.000 0.949 352 S CA 0.155 57.944 58.200 -0.685 0.000 1.264 352 S CB -1.754 60.834 63.200 -1.020 0.000 0.918 352 S HN 0.275 nan 8.310 nan 0.000 0.517 353 L N 1.704 122.671 121.223 -0.427 0.000 2.331 353 L HA 0.636 4.982 4.340 0.010 0.000 0.278 353 L C 0.713 177.381 176.870 -0.336 0.000 1.106 353 L CA -0.486 54.154 54.840 -0.333 0.000 0.824 353 L CB 0.511 42.445 42.059 -0.209 0.000 1.142 353 L HN 0.511 nan 8.230 nan 0.000 0.443 354 I N -0.526 119.858 120.570 -0.311 0.000 3.170 354 I HA 0.741 4.917 4.170 0.010 0.000 0.312 354 I C 0.185 176.222 176.117 -0.132 0.000 1.085 354 I CA -0.665 60.475 61.300 -0.266 0.000 0.999 354 I CB 2.132 39.931 38.000 -0.334 0.000 1.233 354 I HN 0.570 nan 8.210 nan 0.000 0.467 355 S N 1.066 116.722 115.700 -0.073 0.000 2.745 355 S HA 0.491 4.967 4.470 0.010 0.000 0.292 355 S C 0.766 175.389 174.600 0.037 0.000 1.133 355 S CA -0.663 57.521 58.200 -0.026 0.000 0.998 355 S CB 1.774 64.963 63.200 -0.018 0.000 1.087 355 S HN 0.812 nan 8.310 nan 0.000 0.551 356 R N 0.029 120.556 120.500 0.045 0.000 2.096 356 R HA -0.032 4.314 4.340 0.010 0.000 0.235 356 R C 2.297 178.688 176.300 0.152 0.000 1.127 356 R CA 1.529 57.694 56.100 0.110 0.000 0.968 356 R CB -1.017 29.324 30.300 0.069 0.000 0.861 356 R HN 0.816 nan 8.270 nan 0.000 0.440 357 A N 0.396 123.269 122.820 0.088 0.000 1.873 357 A HA -0.198 4.128 4.320 0.010 0.000 0.215 357 A C 2.000 179.631 177.584 0.079 0.000 1.186 357 A CA 1.397 53.478 52.037 0.073 0.000 0.616 357 A CB -0.457 18.569 19.000 0.042 0.000 0.823 357 A HN 0.458 nan 8.150 nan 0.000 0.442 358 Q N -1.760 118.085 119.800 0.074 0.000 2.170 358 Q HA -0.152 4.194 4.340 0.010 0.000 0.203 358 Q C 1.872 177.965 176.000 0.156 0.000 0.976 358 Q CA 1.582 57.434 55.803 0.081 0.000 0.858 358 Q CB -0.311 28.437 28.738 0.018 0.000 0.907 358 Q HN 0.800 nan 8.270 nan 0.000 0.433 359 F N 1.102 121.076 119.950 0.040 0.000 2.113 359 F HA -0.157 4.376 4.527 0.010 0.000 0.297 359 F C 1.757 177.594 175.800 0.063 0.000 1.103 359 F CA 0.978 59.016 58.000 0.063 0.000 1.248 359 F CB 0.042 39.061 39.000 0.032 0.000 0.999 359 F HN -0.059 nan 8.300 nan 0.000 0.475 360 L N 0.315 121.505 121.223 -0.054 0.000 2.079 360 L HA -0.217 4.129 4.340 0.010 0.000 0.210 360 L C 2.812 179.611 176.870 -0.118 0.000 1.081 360 L CA 1.305 56.060 54.840 -0.141 0.000 0.752 360 L CB -1.592 40.475 42.059 0.013 0.000 0.896 360 L HN 0.309 nan 8.230 nan 0.000 0.433 361 A N 0.492 123.288 122.820 -0.039 0.000 1.930 361 A HA -0.047 4.279 4.320 0.010 0.000 0.217 361 A C 2.424 179.992 177.584 -0.027 0.000 1.175 361 A CA 1.483 53.512 52.037 -0.014 0.000 0.627 361 A CB -1.013 18.001 19.000 0.023 0.000 0.815 361 A HN 0.425 nan 8.150 nan 0.000 0.443 362 G N -0.575 108.207 108.800 -0.029 0.000 2.408 362 G HA2 -0.081 3.885 3.960 0.010 0.000 0.217 362 G HA3 -0.081 3.885 3.960 0.010 0.000 0.217 362 G C 1.466 176.309 174.900 -0.095 0.000 1.150 362 G CA 1.175 46.272 45.100 -0.006 0.000 0.776 362 G HN 0.298 nan 8.290 nan 0.000 0.542 363 V N 1.036 120.812 119.914 -0.230 0.000 2.427 363 V HA -0.117 4.009 4.120 0.010 0.000 0.248 363 V C 2.934 178.971 176.094 -0.094 0.000 1.051 363 V CA 1.532 63.700 62.300 -0.220 0.000 1.048 363 V CB -0.356 31.253 31.823 -0.356 0.000 0.666 363 V HN 0.221 nan 8.190 nan 0.000 0.456 364 R N -0.209 120.248 120.500 -0.070 0.000 2.152 364 R HA 0.027 4.373 4.340 0.010 0.000 0.232 364 R C 1.981 178.273 176.300 -0.013 0.000 1.117 364 R CA 1.265 57.348 56.100 -0.028 0.000 0.981 364 R CB -0.780 29.510 30.300 -0.016 0.000 0.870 364 R HN 0.474 nan 8.270 nan 0.000 0.451 365 I N -0.565 119.998 120.570 -0.012 0.000 2.480 365 I HA -0.039 4.137 4.170 0.010 0.000 0.251 365 I C 2.201 178.323 176.117 0.009 0.000 1.124 365 I CA 1.245 62.547 61.300 0.003 0.000 1.444 365 I CB -0.334 37.675 38.000 0.016 0.000 1.098 365 I HN 0.168 nan 8.210 nan 0.000 0.428 366 G N 0.165 108.967 108.800 0.004 0.000 2.572 366 G HA2 0.009 3.975 3.960 0.010 0.000 0.216 366 G HA3 0.009 3.975 3.960 0.010 0.000 0.216 366 G C 0.738 175.665 174.900 0.045 0.000 1.133 366 G CA 0.369 45.484 45.100 0.026 0.000 0.791 366 G HN 0.237 nan 8.290 nan 0.000 0.538 367 V N 1.560 121.480 119.914 0.011 0.000 2.405 367 V HA 0.215 4.341 4.120 0.010 0.000 0.253 367 V C -1.562 174.544 176.094 0.020 0.000 0.963 367 V CA -1.066 61.227 62.300 -0.012 0.000 1.003 367 V CB 1.511 33.297 31.823 -0.061 0.000 1.251 367 V HN 0.027 nan 8.190 nan 0.000 0.520 368 P HA -0.114 nan 4.420 nan 0.000 0.220 368 P C 1.097 178.412 177.300 0.024 0.000 1.148 368 P CA 0.991 64.105 63.100 0.023 0.000 0.803 368 P CB 0.521 32.230 31.700 0.014 0.000 0.782 369 Q N -0.404 119.422 119.800 0.043 0.000 2.466 369 Q HA 0.236 4.582 4.340 0.010 0.000 0.210 369 Q C 0.660 176.674 176.000 0.022 0.000 0.961 369 Q CA 0.008 55.831 55.803 0.033 0.000 0.953 369 Q CB -0.560 28.209 28.738 0.052 0.000 1.011 369 Q HN 0.192 nan 8.270 nan 0.000 0.516 370 A N 0.354 123.185 122.820 0.018 0.000 2.331 370 A HA 0.542 4.868 4.320 0.010 0.000 0.283 370 A C 0.352 177.942 177.584 0.009 0.000 1.142 370 A CA -0.534 51.510 52.037 0.012 0.000 0.812 370 A CB 0.466 19.477 19.000 0.018 0.000 1.074 370 A HN 0.334 nan 8.150 nan 0.000 0.497 371 S N 1.671 117.373 115.700 0.003 0.000 2.617 371 S HA 0.105 4.581 4.470 0.010 0.000 0.255 371 S C 0.334 174.944 174.600 0.017 0.000 1.318 371 S CA 0.287 58.491 58.200 0.006 0.000 0.978 371 S CB 0.241 63.440 63.200 -0.001 0.000 0.961 371 S HN 0.613 nan 8.310 nan 0.000 0.582 372 D N -0.057 120.355 120.400 0.020 0.000 2.144 372 D HA -0.055 4.591 4.640 0.010 0.000 0.199 372 D C 1.675 178.002 176.300 0.045 0.000 0.984 372 D CA 0.799 54.817 54.000 0.030 0.000 0.834 372 D CB -0.390 40.427 40.800 0.028 0.000 0.955 372 D HN 0.384 nan 8.370 nan 0.000 0.465 373 L N 0.584 121.832 121.223 0.043 0.000 2.044 373 L HA 0.098 4.444 4.340 0.010 0.000 0.205 373 L C 2.057 178.977 176.870 0.082 0.000 1.075 373 L CA 1.513 56.390 54.840 0.061 0.000 0.747 373 L CB -0.953 41.134 42.059 0.046 0.000 0.903 373 L HN -0.018 nan 8.230 nan 0.000 0.435 374 A N -0.257 122.592 122.820 0.049 0.000 1.908 374 A HA -0.172 4.154 4.320 0.010 0.000 0.218 374 A C 2.443 180.088 177.584 0.102 0.000 1.181 374 A CA 2.114 54.182 52.037 0.052 0.000 0.627 374 A CB -1.230 17.765 19.000 -0.007 0.000 0.818 374 A HN 0.575 nan 8.150 nan 0.000 0.445 375 A N -0.402 122.463 122.820 0.074 0.000 1.898 375 A HA -0.118 4.208 4.320 0.010 0.000 0.216 375 A C 1.953 179.597 177.584 0.100 0.000 1.181 375 A CA 2.082 54.162 52.037 0.070 0.000 0.620 375 A CB -0.511 18.509 19.000 0.033 0.000 0.819 375 A HN 0.593 nan 8.150 nan 0.000 0.442 376 E N 0.519 120.785 120.200 0.110 0.000 2.070 376 E HA -0.146 4.210 4.350 0.010 0.000 0.197 376 E C 1.976 178.685 176.600 0.183 0.000 1.004 376 E CA 1.894 58.377 56.400 0.139 0.000 0.805 376 E CB -0.498 29.276 29.700 0.123 0.000 0.744 376 E HN 0.472 nan 8.360 nan 0.000 0.451 377 A N 0.092 123.039 122.820 0.212 0.000 1.908 377 A HA -0.162 4.164 4.320 0.010 0.000 0.218 377 A C 2.519 180.217 177.584 0.190 0.000 1.181 377 A CA 1.770 53.974 52.037 0.279 0.000 0.627 377 A CB -0.839 18.450 19.000 0.482 0.000 0.818 377 A HN 0.216 nan 8.150 nan 0.000 0.445 378 V N -0.571 119.475 119.914 0.220 0.000 2.295 378 V HA -0.236 3.890 4.120 0.010 0.000 0.246 378 V C 2.529 178.786 176.094 0.272 0.000 1.049 378 V CA 2.031 64.424 62.300 0.156 0.000 1.024 378 V CB -0.870 31.061 31.823 0.180 0.000 0.648 378 V HN 0.361 nan 8.190 nan 0.000 0.447 379 V N -0.441 119.613 119.914 0.234 0.000 2.490 379 V HA -0.202 3.924 4.120 0.010 0.000 0.250 379 V C 2.328 178.657 176.094 0.390 0.000 1.061 379 V CA 1.513 64.012 62.300 0.331 0.000 1.064 379 V CB -0.372 31.586 31.823 0.225 0.000 0.670 379 V HN 0.406 nan 8.190 nan 0.000 0.461 380 L N -0.594 120.841 121.223 0.354 0.000 2.027 380 L HA -0.195 4.151 4.340 0.010 0.000 0.206 380 L C 2.486 179.573 176.870 0.362 0.000 1.074 380 L CA 2.467 57.586 54.840 0.464 0.000 0.745 380 L CB -1.147 41.092 42.059 0.300 0.000 0.898 380 L HN 0.479 nan 8.230 nan 0.000 0.433 381 H N -0.837 118.246 119.070 0.021 0.000 2.352 381 H HA -0.227 4.335 4.556 0.009 0.000 0.299 381 H C 1.753 176.993 175.328 -0.147 0.000 1.097 381 H CA 2.142 58.064 56.048 -0.210 0.000 1.311 381 H CB -0.022 29.296 29.762 -0.740 0.000 1.377 381 H HN 0.242 nan 8.280 nan 0.000 0.504 382 Y N -0.331 120.055 120.300 0.144 0.000 2.482 382 Y HA 0.154 4.711 4.550 0.012 0.000 0.270 382 Y C 0.708 176.649 175.900 0.069 0.000 1.152 382 Y CA 0.210 58.411 58.100 0.169 0.000 1.292 382 Y CB 0.358 39.019 38.460 0.335 0.000 1.070 382 Y HN 0.033 nan 8.280 nan 0.000 0.528 383 T N 1.362 115.940 114.554 0.039 0.000 2.901 383 T HA -0.032 4.324 4.350 0.010 0.000 0.301 383 T C -0.258 174.145 174.700 -0.495 0.000 1.012 383 T CA -0.319 61.553 62.100 -0.380 0.000 1.135 383 T CB 0.387 68.658 68.868 -0.994 0.000 0.936 383 T HN 0.060 nan 8.240 nan 0.000 0.539 384 D N 2.107 122.207 120.400 -0.499 0.000 2.393 384 D HA 0.089 4.735 4.640 0.010 0.000 0.232 384 D C 0.113 176.139 176.300 -0.458 0.000 1.192 384 D CA -0.761 52.918 54.000 -0.534 0.000 0.882 384 D CB 0.324 40.592 40.800 -0.888 0.000 1.038 384 D HN 0.595 nan 8.370 nan 0.000 0.499 385 W N 3.115 124.346 121.300 -0.115 0.000 2.611 385 W HA 0.003 4.668 4.660 0.008 0.000 0.251 385 W C 1.853 178.290 176.519 -0.137 0.000 1.265 385 W CA -0.302 56.984 57.345 -0.098 0.000 1.295 385 W CB -0.167 29.247 29.460 -0.076 0.000 1.129 385 W HN 0.408 nan 8.180 nan 0.000 0.630 386 L N -1.211 119.983 121.223 -0.049 0.000 2.109 386 L HA -0.113 4.233 4.340 0.010 0.000 0.207 386 L C 0.570 177.152 176.870 -0.479 0.000 1.086 386 L CA 1.504 56.181 54.840 -0.270 0.000 0.760 386 L CB -0.536 41.316 42.059 -0.345 0.000 0.910 386 L HN 0.006 nan 8.230 nan 0.000 0.437 387 H N -1.763 117.222 119.070 -0.141 0.000 2.535 387 H HA 0.180 4.742 4.556 0.009 0.000 0.232 387 H C -1.804 173.412 175.328 -0.187 0.000 1.405 387 H CA -1.247 54.716 56.048 -0.142 0.000 1.224 387 H CB 0.164 29.834 29.762 -0.155 0.000 1.763 387 H HN 0.007 nan 8.280 nan 0.000 0.529 388 P HA -0.097 nan 4.420 nan 0.000 0.233 388 P C 0.684 177.897 177.300 -0.144 0.000 1.167 388 P CA 1.002 63.961 63.100 -0.234 0.000 0.770 388 P CB 0.718 32.275 31.700 -0.238 0.000 0.837 389 E N -0.606 119.558 120.200 -0.060 0.000 2.498 389 E HA 0.033 4.389 4.350 0.010 0.000 0.203 389 E C 0.313 176.894 176.600 -0.033 0.000 1.013 389 E CA -0.073 56.304 56.400 -0.038 0.000 0.927 389 E CB 0.162 29.855 29.700 -0.011 0.000 1.012 389 E HN 0.337 nan 8.360 nan 0.000 0.482 390 D N 2.837 123.226 120.400 -0.020 0.000 2.371 390 D HA 0.001 4.647 4.640 0.010 0.000 0.256 390 D C -1.528 174.748 176.300 -0.039 0.000 1.193 390 D CA -1.537 52.452 54.000 -0.017 0.000 0.881 390 D CB 1.752 42.548 40.800 -0.007 0.000 1.143 390 D HN -0.092 nan 8.370 nan 0.000 0.473 391 P HA -0.071 nan 4.420 nan 0.000 0.220 391 P C 1.334 178.568 177.300 -0.110 0.000 1.152 391 P CA 0.654 63.696 63.100 -0.098 0.000 0.812 391 P CB 0.266 31.903 31.700 -0.105 0.000 0.792 392 T N -0.926 113.580 114.554 -0.079 0.000 2.777 392 T HA -0.166 4.190 4.350 0.010 0.000 0.266 392 T C 1.827 176.502 174.700 -0.042 0.000 1.040 392 T CA 1.665 63.725 62.100 -0.067 0.000 1.141 392 T CB -0.922 67.920 68.868 -0.043 0.000 0.868 392 T HN 0.289 nan 8.240 nan 0.000 0.444 393 H N 0.971 119.976 119.070 -0.109 0.000 2.326 393 H HA 0.108 4.670 4.556 0.009 0.000 0.301 393 H C 2.044 177.286 175.328 -0.142 0.000 1.081 393 H CA 1.279 57.261 56.048 -0.109 0.000 1.334 393 H CB -0.568 29.113 29.762 -0.134 0.000 1.385 393 H HN 0.230 nan 8.280 nan 0.000 0.504 394 L N 0.271 121.315 121.223 -0.299 0.000 2.013 394 L HA -0.238 4.108 4.340 0.010 0.000 0.212 394 L C 2.933 179.681 176.870 -0.203 0.000 1.073 394 L CA 1.825 56.405 54.840 -0.433 0.000 0.753 394 L CB -0.590 41.299 42.059 -0.284 0.000 0.890 394 L HN 0.335 nan 8.230 nan 0.000 0.432 395 R N 0.477 120.914 120.500 -0.106 0.000 2.083 395 R HA -0.200 4.146 4.340 0.010 0.000 0.237 395 R C 1.675 178.045 176.300 0.116 0.000 1.137 395 R CA 2.261 58.386 56.100 0.041 0.000 0.951 395 R CB -0.478 29.733 30.300 -0.147 0.000 0.851 395 R HN 0.384 nan 8.270 nan 0.000 0.434 396 D N 0.286 120.685 120.400 -0.002 0.000 2.178 396 D HA -0.060 4.586 4.640 0.010 0.000 0.202 396 D C 1.710 178.007 176.300 -0.006 0.000 0.974 396 D CA 1.300 55.322 54.000 0.037 0.000 0.841 396 D CB -0.169 40.647 40.800 0.027 0.000 0.953 396 D HN 0.378 nan 8.370 nan 0.000 0.478 397 A N 0.646 123.350 122.820 -0.193 0.000 1.930 397 A HA -0.130 4.196 4.320 0.010 0.000 0.217 397 A C 2.124 179.803 177.584 0.158 0.000 1.175 397 A CA 1.259 53.246 52.037 -0.082 0.000 0.627 397 A CB -0.417 18.333 19.000 -0.417 0.000 0.815 397 A HN 0.128 nan 8.150 nan 0.000 0.443 398 M N -0.174 119.578 119.600 0.253 0.000 2.117 398 M HA -0.093 4.393 4.480 0.010 0.000 0.262 398 M C 2.284 178.632 176.300 0.082 0.000 1.065 398 M CA 2.116 57.580 55.300 0.272 0.000 1.114 398 M CB -0.602 32.218 32.600 0.367 0.000 1.361 398 M HN 0.364 nan 8.290 nan 0.000 0.408 399 S N -0.395 115.361 115.700 0.095 0.000 2.356 399 S HA -0.104 4.372 4.470 0.010 0.000 0.223 399 S C 2.023 176.678 174.600 0.091 0.000 1.032 399 S CA 1.530 59.786 58.200 0.093 0.000 1.005 399 S CB -0.592 62.710 63.200 0.170 0.000 0.867 399 S HN 0.644 nan 8.310 nan 0.000 0.449 400 A N 0.830 123.721 122.820 0.118 0.000 1.877 400 A HA -0.027 4.299 4.320 0.010 0.000 0.216 400 A C 2.335 179.950 177.584 0.052 0.000 1.186 400 A CA 1.826 53.968 52.037 0.174 0.000 0.620 400 A CB -1.144 18.070 19.000 0.357 0.000 0.822 400 A HN 0.442 nan 8.150 nan 0.000 0.443 401 V N -0.398 119.387 119.914 -0.214 0.000 2.282 401 V HA -0.269 3.857 4.120 0.010 0.000 0.249 401 V C 2.570 178.576 176.094 -0.146 0.000 1.057 401 V CA 2.214 64.319 62.300 -0.325 0.000 1.032 401 V CB -0.824 30.823 31.823 -0.294 0.000 0.645 401 V HN 0.384 nan 8.190 nan 0.000 0.447 402 V N 0.539 120.412 119.914 -0.068 0.000 2.323 402 V HA -0.111 4.015 4.120 0.010 0.000 0.244 402 V C 2.611 178.649 176.094 -0.094 0.000 1.041 402 V CA 2.055 64.332 62.300 -0.038 0.000 1.025 402 V CB -1.295 30.568 31.823 0.065 0.000 0.656 402 V HN 0.607 nan 8.190 nan 0.000 0.451 403 G N -0.195 108.599 108.800 -0.010 0.000 2.421 403 G HA2 -0.250 3.716 3.960 0.010 0.000 0.216 403 G HA3 -0.250 3.716 3.960 0.010 0.000 0.216 403 G C 1.245 176.093 174.900 -0.086 0.000 1.171 403 G CA 1.112 46.215 45.100 0.005 0.000 0.775 403 G HN 0.497 nan 8.290 nan 0.000 0.543 404 D N -0.230 120.122 120.400 -0.080 0.000 2.097 404 D HA -0.085 4.561 4.640 0.010 0.000 0.197 404 D C 2.123 178.124 176.300 -0.498 0.000 0.984 404 D CA 1.281 55.197 54.000 -0.140 0.000 0.826 404 D CB -0.555 40.325 40.800 0.133 0.000 0.973 404 D HN 0.382 nan 8.370 nan 0.000 0.460 405 H N 1.009 119.494 119.070 -0.974 0.000 2.387 405 H HA -0.010 4.551 4.556 0.009 0.000 0.299 405 H C 1.455 176.423 175.328 -0.601 0.000 1.099 405 H CA 1.696 57.000 56.048 -1.241 0.000 1.315 405 H CB 0.049 29.069 29.762 -1.238 0.000 1.380 405 H HN 0.026 nan 8.280 nan 0.000 0.513 406 N N -1.016 117.314 118.700 -0.616 0.000 2.415 406 N HA 0.019 4.765 4.740 0.010 0.000 0.174 406 N C 1.153 176.521 175.510 -0.237 0.000 1.048 406 N CA 1.035 53.705 53.050 -0.633 0.000 0.895 406 N CB 1.169 38.740 38.487 -1.526 0.000 1.036 406 N HN 0.266 nan 8.380 nan 0.000 0.449 407 V N -0.436 119.350 119.914 -0.213 0.000 3.658 407 V HA 0.058 4.184 4.120 0.010 0.000 0.197 407 V C 2.141 178.204 176.094 -0.051 0.000 1.295 407 V CA 0.156 62.437 62.300 -0.033 0.000 1.298 407 V CB -0.129 31.717 31.823 0.039 0.000 1.347 407 V HN -0.191 nan 8.190 nan 0.000 0.548 408 V N 0.136 120.017 119.914 -0.054 0.000 2.332 408 V HA -0.294 3.832 4.120 0.010 0.000 0.248 408 V C 2.485 178.555 176.094 -0.041 0.000 1.055 408 V CA 2.593 64.871 62.300 -0.036 0.000 1.038 408 V CB -0.757 31.071 31.823 0.009 0.000 0.651 408 V HN 0.679 nan 8.190 nan 0.000 0.450 409 c N -0.681 117.889 118.600 -0.049 0.000 2.486 409 c HA 0.025 4.601 4.570 0.010 0.000 0.279 409 c C 0.589 174.666 174.090 -0.021 0.000 1.302 409 c CA 0.768 57.101 56.329 0.007 0.000 1.720 409 c CB -1.712 40.846 42.510 0.079 0.000 2.030 409 c HN 0.439 nan 8.230 nan 0.000 0.490 410 P HA -0.104 nan 4.420 nan 0.000 0.216 410 P C 1.775 179.026 177.300 -0.081 0.000 1.153 410 P CA 1.512 64.560 63.100 -0.087 0.000 0.858 410 P CB -0.137 31.489 31.700 -0.124 0.000 0.789 411 V N -0.093 119.772 119.914 -0.082 0.000 2.295 411 V HA -0.268 3.858 4.120 0.010 0.000 0.246 411 V C 2.428 178.439 176.094 -0.139 0.000 1.049 411 V CA 2.297 64.530 62.300 -0.112 0.000 1.024 411 V CB -1.690 30.059 31.823 -0.124 0.000 0.648 411 V HN 0.104 nan 8.190 nan 0.000 0.447 412 A N -0.514 122.240 122.820 -0.110 0.000 1.883 412 A HA -0.346 3.980 4.320 0.010 0.000 0.217 412 A C 2.257 179.823 177.584 -0.030 0.000 1.186 412 A CA 2.344 54.328 52.037 -0.089 0.000 0.624 412 A CB -0.685 18.311 19.000 -0.007 0.000 0.822 412 A HN 0.637 nan 8.150 nan 0.000 0.444 413 Q N -0.798 119.001 119.800 -0.003 0.000 2.077 413 Q HA -0.237 4.109 4.340 0.010 0.000 0.206 413 Q C 1.981 177.977 176.000 -0.006 0.000 0.989 413 Q CA 2.117 57.929 55.803 0.015 0.000 0.853 413 Q CB -0.347 28.397 28.738 0.010 0.000 0.907 413 Q HN 0.545 nan 8.270 nan 0.000 0.418 414 L N 0.566 121.757 121.223 -0.052 0.000 1.994 414 L HA -0.103 4.243 4.340 0.010 0.000 0.208 414 L C 2.328 179.150 176.870 -0.080 0.000 1.071 414 L CA 2.331 57.126 54.840 -0.075 0.000 0.745 414 L CB -0.976 41.018 42.059 -0.108 0.000 0.892 414 L HN 0.315 nan 8.230 nan 0.000 0.431 415 A N -0.374 122.362 122.820 -0.140 0.000 1.883 415 A HA -0.142 4.184 4.320 0.010 0.000 0.217 415 A C 2.351 179.967 177.584 0.053 0.000 1.186 415 A CA 1.890 53.803 52.037 -0.206 0.000 0.624 415 A CB -1.759 16.841 19.000 -0.667 0.000 0.822 415 A HN 0.569 nan 8.150 nan 0.000 0.444 416 G N -0.560 108.330 108.800 0.149 0.000 2.514 416 G HA2 -0.276 3.690 3.960 0.010 0.000 0.217 416 G HA3 -0.276 3.690 3.960 0.010 0.000 0.217 416 G C 1.677 176.673 174.900 0.160 0.000 1.198 416 G CA 1.086 46.337 45.100 0.252 0.000 0.780 416 G HN 0.405 nan 8.290 nan 0.000 0.565 417 R N -0.191 120.374 120.500 0.107 0.000 2.073 417 R HA 0.046 4.392 4.340 0.010 0.000 0.234 417 R C 2.604 178.999 176.300 0.159 0.000 1.134 417 R CA 0.510 56.682 56.100 0.120 0.000 0.952 417 R CB -1.413 28.950 30.300 0.106 0.000 0.850 417 R HN 0.337 nan 8.270 nan 0.000 0.433 418 L N 0.665 121.944 121.223 0.093 0.000 1.989 418 L HA -0.138 4.208 4.340 0.010 0.000 0.211 418 L C 2.422 179.382 176.870 0.150 0.000 1.071 418 L CA 2.203 57.088 54.840 0.075 0.000 0.749 418 L CB -1.335 40.663 42.059 -0.102 0.000 0.890 418 L HN 0.207 nan 8.230 nan 0.000 0.431 419 A N -0.897 122.009 122.820 0.144 0.000 1.917 419 A HA -0.230 4.096 4.320 0.010 0.000 0.219 419 A C 2.404 180.058 177.584 0.116 0.000 1.182 419 A CA 2.175 54.297 52.037 0.142 0.000 0.633 419 A CB -1.019 18.096 19.000 0.192 0.000 0.819 419 A HN 0.452 nan 8.150 nan 0.000 0.448 420 A N -1.830 121.063 122.820 0.121 0.000 2.067 420 A HA -0.041 4.285 4.320 0.010 0.000 0.219 420 A C 1.859 179.503 177.584 0.101 0.000 1.158 420 A CA 1.621 53.715 52.037 0.095 0.000 0.661 420 A CB -0.226 18.827 19.000 0.088 0.000 0.801 420 A HN 0.472 nan 8.150 nan 0.000 0.452 421 Q N -1.186 118.709 119.800 0.157 0.000 2.222 421 Q HA 0.362 4.708 4.340 0.010 0.000 0.206 421 Q C 0.727 176.811 176.000 0.140 0.000 0.877 421 Q CA 0.652 56.542 55.803 0.145 0.000 0.958 421 Q CB 0.215 29.090 28.738 0.228 0.000 1.075 421 Q HN 0.849 nan 8.270 nan 0.000 0.483 422 G N -0.813 108.063 108.800 0.127 0.000 2.165 422 G HA2 -0.103 3.863 3.960 0.010 0.000 0.226 422 G HA3 -0.103 3.863 3.960 0.010 0.000 0.226 422 G C -0.070 174.903 174.900 0.123 0.000 1.035 422 G CA -0.015 45.144 45.100 0.099 0.000 0.744 422 G HN 0.518 nan 8.290 nan 0.000 0.501 423 A N -0.598 122.308 122.820 0.143 0.000 2.330 423 A HA 0.925 5.251 4.320 0.010 0.000 0.329 423 A C 0.311 177.946 177.584 0.085 0.000 1.135 423 A CA -0.529 51.588 52.037 0.134 0.000 0.817 423 A CB 1.043 20.128 19.000 0.140 0.000 1.269 423 A HN 0.664 nan 8.150 nan 0.000 0.469 424 R N 0.688 121.237 120.500 0.083 0.000 2.229 424 R HA 0.554 4.901 4.340 0.010 0.000 0.328 424 R C -1.493 174.829 176.300 0.036 0.000 1.009 424 R CA -0.044 56.076 56.100 0.034 0.000 0.864 424 R CB 0.794 31.141 30.300 0.079 0.000 1.085 424 R HN 0.473 nan 8.270 nan 0.000 0.453 425 V N 5.533 125.398 119.914 -0.081 0.000 2.540 425 V HA 0.402 4.528 4.120 0.010 0.000 0.302 425 V C -1.069 174.890 176.094 -0.224 0.000 1.035 425 V CA -0.796 61.480 62.300 -0.041 0.000 0.873 425 V CB 1.522 33.378 31.823 0.054 0.000 0.992 425 V HN 0.658 nan 8.190 nan 0.000 0.428 426 Y N 2.131 122.406 120.300 -0.041 0.000 2.429 426 Y HA 0.805 5.361 4.550 0.009 0.000 0.342 426 Y C 0.362 176.376 175.900 0.190 0.000 1.004 426 Y CA -0.549 57.526 58.100 -0.043 0.000 1.075 426 Y CB 2.205 40.259 38.460 -0.677 0.000 1.214 426 Y HN 0.755 nan 8.280 nan 0.000 0.455 427 A N 2.933 126.187 122.820 0.723 0.000 2.401 427 A HA 0.845 5.171 4.320 0.010 0.000 0.310 427 A C -1.880 176.095 177.584 0.652 0.000 1.075 427 A CA -0.682 51.633 52.037 0.463 0.000 0.746 427 A CB 0.970 20.069 19.000 0.165 0.000 1.277 427 A HN 0.757 nan 8.150 nan 0.000 0.425 428 Y N -0.410 120.113 120.300 0.372 0.000 2.615 428 Y HA 0.799 5.354 4.550 0.008 0.000 0.341 428 Y C -1.139 174.917 175.900 0.260 0.000 1.089 428 Y CA -1.546 56.714 58.100 0.268 0.000 1.049 428 Y CB 1.398 40.000 38.460 0.236 0.000 1.296 428 Y HN 0.716 nan 8.280 nan 0.000 0.470 429 I N 3.181 124.013 120.570 0.436 0.000 2.466 429 I HA 0.463 4.640 4.170 0.010 0.000 0.289 429 I C -1.821 174.618 176.117 0.537 0.000 1.026 429 I CA -1.031 60.490 61.300 0.368 0.000 1.078 429 I CB 1.121 39.288 38.000 0.278 0.000 1.249 429 I HN 0.750 nan 8.210 nan 0.000 0.429 430 F N 7.346 127.579 119.950 0.472 0.000 2.411 430 F HA 0.382 4.915 4.527 0.011 0.000 0.355 430 F C 0.547 176.505 175.800 0.263 0.000 1.117 430 F CA 0.114 58.350 58.000 0.392 0.000 1.139 430 F CB 0.903 40.165 39.000 0.437 0.000 1.120 430 F HN 0.555 nan 8.300 nan 0.000 0.493 431 E N 3.039 123.130 120.200 -0.181 0.000 2.630 431 E HA -0.010 4.346 4.350 0.010 0.000 0.218 431 E C -0.794 175.714 176.600 -0.153 0.000 0.977 431 E CA -0.179 56.185 56.400 -0.060 0.000 1.038 431 E CB 0.277 29.962 29.700 -0.025 0.000 1.051 431 E HN 0.547 nan 8.360 nan 0.000 0.487 432 H N 1.490 120.236 119.070 -0.540 0.000 2.517 432 H HA 0.265 4.827 4.556 0.009 0.000 0.317 432 H C -0.423 174.908 175.328 0.006 0.000 1.080 432 H CA -0.554 55.274 56.048 -0.366 0.000 1.301 432 H CB 0.619 29.993 29.762 -0.647 0.000 1.425 432 H HN -0.152 nan 8.280 nan 0.000 0.471 433 R N 4.138 124.295 120.500 -0.572 0.000 2.234 433 R HA 0.488 4.834 4.340 0.010 0.000 0.324 433 R C -0.473 175.509 176.300 -0.530 0.000 1.054 433 R CA -0.519 55.384 56.100 -0.329 0.000 0.912 433 R CB 0.370 30.566 30.300 -0.173 0.000 1.030 433 R HN 0.831 nan 8.270 nan 0.000 0.455 434 A N 2.942 125.772 122.820 0.016 0.000 2.561 434 A HA -0.023 4.304 4.320 0.010 0.000 0.234 434 A C 1.326 179.005 177.584 0.157 0.000 1.055 434 A CA 0.615 52.871 52.037 0.365 0.000 0.756 434 A CB 0.300 19.617 19.000 0.528 0.000 0.986 434 A HN 1.024 nan 8.150 nan 0.000 0.505 435 S N 1.114 116.961 115.700 0.246 0.000 2.447 435 S HA -0.136 4.340 4.470 0.010 0.000 0.233 435 S C 1.295 175.899 174.600 0.007 0.000 1.006 435 S CA 1.663 59.929 58.200 0.111 0.000 0.957 435 S CB -0.679 62.609 63.200 0.147 0.000 0.773 435 S HN 1.123 nan 8.310 nan 0.000 0.507 436 T N -0.525 114.007 114.554 -0.036 0.000 3.060 436 T HA 0.351 4.707 4.350 0.010 0.000 0.249 436 T C 0.457 175.099 174.700 -0.097 0.000 1.079 436 T CA -0.519 61.502 62.100 -0.131 0.000 1.013 436 T CB -0.475 68.215 68.868 -0.296 0.000 0.975 436 T HN 0.273 nan 8.240 nan 0.000 0.518 437 L N 4.228 125.429 121.223 -0.037 0.000 2.593 437 L HA 0.117 4.463 4.340 0.010 0.000 0.287 437 L C 1.414 178.214 176.870 -0.118 0.000 1.243 437 L CA 0.974 55.773 54.840 -0.068 0.000 0.890 437 L CB 0.500 42.521 42.059 -0.063 0.000 1.134 437 L HN 0.423 nan 8.230 nan 0.000 0.502 438 T N -0.480 113.947 114.554 -0.212 0.000 3.040 438 T HA 0.130 4.486 4.350 0.010 0.000 0.250 438 T C 0.320 174.935 174.700 -0.140 0.000 1.058 438 T CA -0.434 61.535 62.100 -0.219 0.000 0.988 438 T CB -0.343 68.287 68.868 -0.396 0.000 0.993 438 T HN 0.445 nan 8.240 nan 0.000 0.519 439 W N 3.498 124.758 121.300 -0.067 0.000 2.126 439 W HA 0.400 5.066 4.660 0.011 0.000 0.346 439 W C -1.978 174.411 176.519 -0.216 0.000 1.279 439 W CA -2.124 55.146 57.345 -0.124 0.000 1.259 439 W CB 0.114 29.401 29.460 -0.289 0.000 1.133 439 W HN -0.040 nan 8.180 nan 0.000 0.592 440 P HA -0.011 nan 4.420 nan 0.000 0.271 440 P C 0.557 177.767 177.300 -0.150 0.000 1.233 440 P CA -0.012 63.032 63.100 -0.094 0.000 0.789 440 P CB 0.802 32.461 31.700 -0.069 0.000 0.951 441 L N 0.254 121.457 121.223 -0.033 0.000 2.137 441 L HA -0.173 4.173 4.340 0.010 0.000 0.213 441 L C 2.474 179.359 176.870 0.025 0.000 1.085 441 L CA 1.748 56.589 54.840 0.002 0.000 0.760 441 L CB -0.959 41.135 42.059 0.059 0.000 0.893 441 L HN 0.620 nan 8.230 nan 0.000 0.434 442 W N -1.557 119.767 121.300 0.041 0.000 2.519 442 W HA -0.094 4.571 4.660 0.009 0.000 0.266 442 W C 1.723 178.268 176.519 0.043 0.000 1.253 442 W CA 0.446 57.817 57.345 0.044 0.000 1.274 442 W CB -0.780 28.713 29.460 0.054 0.000 1.114 442 W HN 0.191 nan 8.180 nan 0.000 0.596 443 M N 1.317 120.585 119.600 -0.554 0.000 2.619 443 M HA 0.145 4.631 4.480 0.010 0.000 0.251 443 M C 1.819 177.983 176.300 -0.227 0.000 1.106 443 M CA 1.372 56.315 55.300 -0.595 0.000 1.086 443 M CB -0.587 31.470 32.600 -0.905 0.000 1.465 443 M HN 0.169 nan 8.290 nan 0.000 0.506 444 G N 0.801 109.536 108.800 -0.110 0.000 2.591 444 G HA2 -0.293 3.673 3.960 0.010 0.000 0.298 444 G HA3 -0.293 3.673 3.960 0.010 0.000 0.298 444 G C -0.097 174.782 174.900 -0.035 0.000 1.195 444 G CA -0.033 45.051 45.100 -0.027 0.000 0.989 444 G HN 0.256 nan 8.290 nan 0.000 0.551 445 V N 3.371 123.306 119.914 0.034 0.000 2.277 445 V HA 0.479 4.605 4.120 0.010 0.000 0.269 445 V C -1.855 174.300 176.094 0.101 0.000 1.036 445 V CA -0.893 61.475 62.300 0.113 0.000 0.821 445 V CB 1.226 33.200 31.823 0.252 0.000 1.052 445 V HN 0.531 nan 8.190 nan 0.000 0.462 446 P HA 0.247 nan 4.420 nan 0.000 0.274 446 P C -0.542 176.807 177.300 0.080 0.000 1.256 446 P CA -0.356 62.698 63.100 -0.078 0.000 0.795 446 P CB 0.321 31.887 31.700 -0.223 0.000 1.038 447 H N -1.068 118.032 119.070 0.049 0.000 2.790 447 H HA 0.427 4.989 4.556 0.009 0.000 0.358 447 H C 1.425 176.694 175.328 -0.098 0.000 1.103 447 H CA 0.100 56.136 56.048 -0.020 0.000 1.426 447 H CB -0.661 29.035 29.762 -0.110 0.000 1.424 447 H HN 0.809 nan 8.280 nan 0.000 0.599 448 G N 1.137 109.990 108.800 0.088 0.000 2.234 448 G HA2 -0.328 3.638 3.960 0.010 0.000 0.235 448 G HA3 -0.328 3.638 3.960 0.010 0.000 0.235 448 G C 0.600 175.495 174.900 -0.008 0.000 0.997 448 G CA 0.320 45.385 45.100 -0.058 0.000 0.623 448 G HN 0.647 nan 8.290 nan 0.000 0.514 449 Y N 1.795 122.235 120.300 0.234 0.000 2.490 449 Y HA 0.215 4.771 4.550 0.009 0.000 0.281 449 Y C 2.445 178.461 175.900 0.193 0.000 1.174 449 Y CA 1.060 59.325 58.100 0.275 0.000 1.295 449 Y CB 0.359 39.002 38.460 0.305 0.000 1.062 449 Y HN 0.520 nan 8.280 nan 0.000 0.522 450 E N 0.487 120.628 120.200 -0.098 0.000 2.250 450 E HA -0.093 4.263 4.350 0.010 0.000 0.192 450 E C 1.695 178.208 176.600 -0.145 0.000 0.986 450 E CA 0.779 56.765 56.400 -0.690 0.000 0.849 450 E CB -0.438 28.446 29.700 -1.359 0.000 0.797 450 E HN 0.527 nan 8.360 nan 0.000 0.482 451 I N 2.764 123.337 120.570 0.006 0.000 2.127 451 I HA -0.326 3.850 4.170 0.010 0.000 0.241 451 I C 2.760 178.887 176.117 0.016 0.000 1.075 451 I CA 2.255 63.598 61.300 0.073 0.000 1.334 451 I CB -0.585 37.525 38.000 0.183 0.000 1.040 451 I HN 0.229 nan 8.210 nan 0.000 0.405 452 E N 1.074 121.221 120.200 -0.088 0.000 2.209 452 E HA -0.242 4.114 4.350 0.010 0.000 0.196 452 E C 2.042 178.397 176.600 -0.408 0.000 0.993 452 E CA 1.474 57.716 56.400 -0.264 0.000 0.819 452 E CB -0.541 28.964 29.700 -0.325 0.000 0.745 452 E HN 0.445 nan 8.360 nan 0.000 0.477 453 F N 1.640 121.494 119.950 -0.161 0.000 2.098 453 F HA -0.058 4.477 4.527 0.012 0.000 0.294 453 F C 2.453 178.040 175.800 -0.355 0.000 1.107 453 F CA 0.750 58.587 58.000 -0.271 0.000 1.234 453 F CB -0.254 38.627 39.000 -0.199 0.000 1.002 453 F HN -0.047 nan 8.300 nan 0.000 0.472 454 I N -0.842 119.594 120.570 -0.222 0.000 2.194 454 I HA -0.319 3.858 4.170 0.010 0.000 0.246 454 I C 2.075 177.988 176.117 -0.341 0.000 1.093 454 I CA 1.904 62.918 61.300 -0.478 0.000 1.355 454 I CB -1.270 36.345 38.000 -0.642 0.000 1.046 454 I HN 0.108 nan 8.210 nan 0.000 0.413 455 F N 0.921 120.703 119.950 -0.280 0.000 2.811 455 F HA 0.215 4.748 4.527 0.010 0.000 0.301 455 F C 1.808 177.484 175.800 -0.206 0.000 1.151 455 F CA 0.737 58.618 58.000 -0.198 0.000 1.412 455 F CB -0.232 38.639 39.000 -0.215 0.000 1.113 455 F HN 0.280 nan 8.300 nan 0.000 0.579 456 G N 0.365 109.034 108.800 -0.218 0.000 2.198 456 G HA2 -0.309 3.657 3.960 0.010 0.000 0.257 456 G HA3 -0.309 3.657 3.960 0.010 0.000 0.257 456 G C 0.968 175.334 174.900 -0.890 0.000 1.042 456 G CA 0.309 45.152 45.100 -0.427 0.000 0.791 456 G HN 0.325 nan 8.290 nan 0.000 0.502 457 L N 0.135 120.864 121.223 -0.824 0.000 2.127 457 L HA 0.041 4.387 4.340 0.010 0.000 0.211 457 L C 0.367 176.675 176.870 -0.935 0.000 1.089 457 L CA 2.586 56.854 54.840 -0.953 0.000 0.757 457 L CB -0.772 40.980 42.059 -0.512 0.000 0.899 457 L HN 0.213 nan 8.230 nan 0.000 0.434 458 P HA -0.131 nan 4.420 nan 0.000 0.229 458 P C 1.380 178.413 177.300 -0.446 0.000 1.150 458 P CA 0.825 63.344 63.100 -0.969 0.000 0.765 458 P CB 0.055 31.190 31.700 -0.943 0.000 0.783 459 L N -1.292 119.614 121.223 -0.527 0.000 2.552 459 L HA 0.007 4.353 4.340 0.010 0.000 0.227 459 L C 0.853 177.619 176.870 -0.173 0.000 1.146 459 L CA 1.012 55.669 54.840 -0.305 0.000 0.858 459 L CB -0.953 40.939 42.059 -0.277 0.000 0.969 459 L HN -0.067 nan 8.230 nan 0.000 0.451 460 D N 0.390 120.667 120.400 -0.206 0.000 2.380 460 D HA 0.110 4.757 4.640 0.010 0.000 0.230 460 D C -1.528 174.784 176.300 0.021 0.000 1.154 460 D CA -2.271 51.733 54.000 0.008 0.000 0.859 460 D CB 1.466 42.322 40.800 0.093 0.000 1.045 460 D HN -0.033 nan 8.370 nan 0.000 0.495 461 P HA -0.132 nan 4.420 nan 0.000 0.222 461 P C 0.986 178.303 177.300 0.028 0.000 1.147 461 P CA 0.650 63.767 63.100 0.029 0.000 0.790 461 P CB 0.000 31.714 31.700 0.023 0.000 0.780 462 S N -1.256 114.461 115.700 0.027 0.000 2.660 462 S HA 0.042 4.518 4.470 0.010 0.000 0.228 462 S C 1.452 176.055 174.600 0.004 0.000 0.966 462 S CA 0.174 58.382 58.200 0.012 0.000 0.940 462 S CB -1.292 61.915 63.200 0.011 0.000 0.773 462 S HN 0.128 nan 8.310 nan 0.000 0.535 463 L N 0.123 121.363 121.223 0.030 0.000 2.693 463 L HA 0.340 4.686 4.340 0.010 0.000 0.235 463 L C 0.273 177.072 176.870 -0.118 0.000 1.127 463 L CA -0.203 54.642 54.840 0.008 0.000 0.914 463 L CB -0.290 41.852 42.059 0.138 0.000 1.193 463 L HN 0.200 nan 8.230 nan 0.000 0.502 464 N N -1.951 116.712 118.700 -0.063 0.000 2.948 464 N HA -0.224 4.522 4.740 0.010 0.000 0.239 464 N C -0.321 175.106 175.510 -0.138 0.000 0.954 464 N CA 0.903 53.884 53.050 -0.116 0.000 0.941 464 N CB -1.612 36.771 38.487 -0.173 0.000 1.101 464 N HN 0.255 nan 8.380 nan 0.000 0.579 465 Y N 1.169 121.459 120.300 -0.016 0.000 2.457 465 Y HA 0.172 4.728 4.550 0.010 0.000 0.341 465 Y C 1.929 177.857 175.900 0.047 0.000 1.240 465 Y CA 0.354 58.473 58.100 0.031 0.000 1.437 465 Y CB 0.382 38.852 38.460 0.016 0.000 1.328 465 Y HN 0.078 nan 8.280 nan 0.000 0.588 466 T N -2.434 112.265 114.554 0.242 0.000 2.813 466 T HA 0.035 4.391 4.350 0.010 0.000 0.297 466 T C 1.162 175.945 174.700 0.138 0.000 1.036 466 T CA -0.322 61.869 62.100 0.152 0.000 1.044 466 T CB 0.916 69.865 68.868 0.134 0.000 0.993 466 T HN 0.741 nan 8.240 nan 0.000 0.535 467 T N 1.636 116.241 114.554 0.084 0.000 2.759 467 T HA -0.105 4.251 4.350 0.010 0.000 0.269 467 T C 1.752 176.487 174.700 0.058 0.000 1.042 467 T CA 2.023 64.159 62.100 0.060 0.000 1.140 467 T CB -0.422 68.469 68.868 0.037 0.000 0.864 467 T HN 0.818 nan 8.240 nan 0.000 0.455 468 E N 1.193 121.424 120.200 0.052 0.000 2.150 468 E HA -0.086 4.270 4.350 0.010 0.000 0.193 468 E C 2.161 178.801 176.600 0.068 0.000 0.985 468 E CA 0.890 57.306 56.400 0.026 0.000 0.814 468 E CB -0.184 29.500 29.700 -0.027 0.000 0.752 468 E HN 0.554 nan 8.360 nan 0.000 0.466 469 E N 0.584 120.867 120.200 0.138 0.000 2.110 469 E HA -0.157 4.199 4.350 0.010 0.000 0.193 469 E C 2.098 178.829 176.600 0.217 0.000 0.988 469 E CA 0.610 57.188 56.400 0.297 0.000 0.804 469 E CB -0.034 29.979 29.700 0.520 0.000 0.745 469 E HN 0.108 nan 8.360 nan 0.000 0.458 470 R N 0.652 121.215 120.500 0.104 0.000 2.096 470 R HA -0.137 4.209 4.340 0.010 0.000 0.235 470 R C 2.087 178.393 176.300 0.010 0.000 1.127 470 R CA 1.121 57.224 56.100 0.005 0.000 0.968 470 R CB -0.095 30.204 30.300 -0.001 0.000 0.861 470 R HN 0.170 nan 8.270 nan 0.000 0.440 471 I N -0.032 120.568 120.570 0.051 0.000 2.406 471 I HA -0.206 3.970 4.170 0.010 0.000 0.249 471 I C 2.043 178.210 176.117 0.083 0.000 1.122 471 I CA 0.521 61.846 61.300 0.042 0.000 1.431 471 I CB -0.265 37.758 38.000 0.037 0.000 1.087 471 I HN 0.128 nan 8.210 nan 0.000 0.424 472 F N 2.084 121.995 119.950 -0.065 0.000 2.126 472 F HA -0.244 4.289 4.527 0.009 0.000 0.299 472 F C 2.408 178.195 175.800 -0.021 0.000 1.096 472 F CA 1.292 59.242 58.000 -0.085 0.000 1.255 472 F CB -0.730 38.151 39.000 -0.197 0.000 0.997 472 F HN 0.035 nan 8.300 nan 0.000 0.479 473 A N 0.208 122.960 122.820 -0.113 0.000 1.883 473 A HA -0.253 4.073 4.320 0.010 0.000 0.217 473 A C 2.162 179.620 177.584 -0.210 0.000 1.186 473 A CA 1.882 53.795 52.037 -0.207 0.000 0.624 473 A CB -0.968 17.921 19.000 -0.185 0.000 0.822 473 A HN 0.606 nan 8.150 nan 0.000 0.444 474 Q N -0.783 118.934 119.800 -0.138 0.000 2.096 474 Q HA -0.215 4.131 4.340 0.010 0.000 0.204 474 Q C 2.387 178.298 176.000 -0.149 0.000 0.982 474 Q CA 1.683 57.415 55.803 -0.119 0.000 0.850 474 Q CB -0.235 28.458 28.738 -0.075 0.000 0.901 474 Q HN 0.614 nan 8.270 nan 0.000 0.422 475 R N 0.369 120.778 120.500 -0.152 0.000 2.080 475 R HA -0.142 4.204 4.340 0.010 0.000 0.236 475 R C 2.357 178.436 176.300 -0.369 0.000 1.137 475 R CA 1.385 57.328 56.100 -0.262 0.000 0.943 475 R CB -0.370 29.868 30.300 -0.103 0.000 0.846 475 R HN 0.260 nan 8.270 nan 0.000 0.431 476 L N 0.009 121.106 121.223 -0.210 0.000 2.083 476 L HA -0.180 4.166 4.340 0.010 0.000 0.209 476 L C 2.509 179.362 176.870 -0.029 0.000 1.083 476 L CA 1.295 56.102 54.840 -0.055 0.000 0.752 476 L CB -0.373 41.484 42.059 -0.336 0.000 0.899 476 L HN 0.270 nan 8.230 nan 0.000 0.433 477 M N -0.827 118.692 119.600 -0.135 0.000 2.213 477 M HA -0.158 4.328 4.480 0.010 0.000 0.263 477 M C 2.227 178.535 176.300 0.014 0.000 1.062 477 M CA 1.399 56.648 55.300 -0.086 0.000 1.105 477 M CB -0.297 32.234 32.600 -0.114 0.000 1.385 477 M HN 0.075 nan 8.290 nan 0.000 0.417 478 K N -0.070 120.303 120.400 -0.045 0.000 2.057 478 K HA -0.104 4.222 4.320 0.010 0.000 0.206 478 K C 1.887 178.542 176.600 0.091 0.000 1.050 478 K CA 1.543 57.805 56.287 -0.042 0.000 0.935 478 K CB -0.354 32.046 32.500 -0.166 0.000 0.715 478 K HN 0.316 nan 8.250 nan 0.000 0.439 479 Y N -0.124 120.316 120.300 0.234 0.000 2.114 479 Y HA -0.221 4.336 4.550 0.012 0.000 0.284 479 Y C 2.452 178.498 175.900 0.243 0.000 1.143 479 Y CA 0.791 59.065 58.100 0.290 0.000 1.135 479 Y CB -0.817 37.966 38.460 0.539 0.000 0.980 479 Y HN 0.202 nan 8.280 nan 0.000 0.499 480 W N 0.580 121.957 121.300 0.128 0.000 2.354 480 W HA -0.243 4.422 4.660 0.009 0.000 0.315 480 W C 2.533 179.051 176.519 -0.002 0.000 1.206 480 W CA 2.256 59.609 57.345 0.014 0.000 1.290 480 W CB -0.745 28.647 29.460 -0.113 0.000 1.152 480 W HN 0.219 nan 8.180 nan 0.000 0.489 481 T N -2.039 112.618 114.554 0.172 0.000 2.951 481 T HA -0.135 4.221 4.350 0.010 0.000 0.268 481 T C 1.359 176.083 174.700 0.039 0.000 1.073 481 T CA 1.235 63.369 62.100 0.056 0.000 1.134 481 T CB -0.561 68.322 68.868 0.025 0.000 0.884 481 T HN -0.075 nan 8.240 nan 0.000 0.479 482 N N 1.010 119.751 118.700 0.069 0.000 2.120 482 N HA 0.008 4.754 4.740 0.010 0.000 0.188 482 N C 1.324 176.822 175.510 -0.021 0.000 1.024 482 N CA 0.972 54.039 53.050 0.029 0.000 0.852 482 N CB -0.747 37.776 38.487 0.060 0.000 1.003 482 N HN 0.469 nan 8.380 nan 0.000 0.424 483 F N 1.620 121.477 119.950 -0.155 0.000 2.095 483 F HA -0.132 4.401 4.527 0.010 0.000 0.298 483 F C 2.173 177.882 175.800 -0.153 0.000 1.104 483 F CA 1.518 59.371 58.000 -0.244 0.000 1.232 483 F CB -0.500 38.258 39.000 -0.402 0.000 0.987 483 F HN 0.048 nan 8.300 nan 0.000 0.475 484 A N 0.458 123.212 122.820 -0.110 0.000 1.902 484 A HA -0.192 4.134 4.320 0.010 0.000 0.217 484 A C 2.360 179.842 177.584 -0.169 0.000 1.181 484 A CA 1.758 53.710 52.037 -0.142 0.000 0.623 484 A CB -0.745 18.232 19.000 -0.037 0.000 0.818 484 A HN 0.458 nan 8.150 nan 0.000 0.443 485 R N -1.204 119.221 120.500 -0.124 0.000 2.070 485 R HA -0.102 4.244 4.340 0.010 0.000 0.233 485 R C 2.219 178.432 176.300 -0.145 0.000 1.137 485 R CA 2.037 58.077 56.100 -0.101 0.000 0.945 485 R CB -0.295 29.970 30.300 -0.059 0.000 0.845 485 R HN 0.735 nan 8.270 nan 0.000 0.430 486 T N -5.487 108.951 114.554 -0.194 0.000 2.958 486 T HA 0.242 4.598 4.350 0.010 0.000 0.256 486 T C 1.108 175.657 174.700 -0.250 0.000 0.983 486 T CA 0.477 62.472 62.100 -0.176 0.000 0.924 486 T CB 1.396 70.197 68.868 -0.111 0.000 1.136 486 T HN 0.372 nan 8.240 nan 0.000 0.506 487 G N 1.130 109.640 108.800 -0.484 0.000 2.141 487 G HA2 -0.129 3.837 3.960 0.010 0.000 0.242 487 G HA3 -0.129 3.837 3.960 0.010 0.000 0.242 487 G C -0.414 174.311 174.900 -0.292 0.000 0.982 487 G CA 0.126 44.853 45.100 -0.621 0.000 0.662 487 G HN 0.796 nan 8.290 nan 0.000 0.527 488 D N -0.620 119.623 120.400 -0.262 0.000 2.890 488 D HA 0.439 5.085 4.640 0.010 0.000 0.233 488 D C -1.770 174.362 176.300 -0.279 0.000 1.306 488 D CA -1.478 52.360 54.000 -0.269 0.000 0.929 488 D CB 2.191 42.935 40.800 -0.093 0.000 1.512 488 D HN -0.022 nan 8.370 nan 0.000 0.568 489 P HA 0.001 nan 4.420 nan 0.000 0.233 489 P C 0.080 177.410 177.300 0.049 0.000 1.167 489 P CA 0.060 63.003 63.100 -0.263 0.000 0.770 489 P CB 0.413 31.663 31.700 -0.750 0.000 0.837 490 N N 1.374 120.064 118.700 -0.016 0.000 2.525 490 N HA 0.024 4.770 4.740 0.010 0.000 0.271 490 N C 0.016 175.594 175.510 0.112 0.000 1.194 490 N CA 0.275 53.408 53.050 0.138 0.000 0.964 490 N CB 0.579 39.138 38.487 0.121 0.000 1.126 490 N HN 0.022 nan 8.380 nan 0.000 0.452 491 D N 2.251 122.732 120.400 0.135 0.000 2.325 491 D HA 0.084 4.730 4.640 0.010 0.000 0.251 491 D C -1.269 175.070 176.300 0.066 0.000 1.196 491 D CA -1.554 52.495 54.000 0.081 0.000 0.866 491 D CB 1.333 42.175 40.800 0.069 0.000 1.101 491 D HN 0.298 nan 8.370 nan 0.000 0.476 492 P HA -0.153 nan 4.420 nan 0.000 0.216 492 P C 0.870 178.193 177.300 0.039 0.000 1.150 492 P CA 1.066 64.189 63.100 0.038 0.000 0.837 492 P CB 0.714 32.428 31.700 0.022 0.000 0.786 493 R N 0.287 120.808 120.500 0.035 0.000 2.040 493 R HA 0.043 4.389 4.340 0.010 0.000 0.219 493 R C 1.665 177.991 176.300 0.042 0.000 1.216 493 R CA 0.543 56.663 56.100 0.033 0.000 0.952 493 R CB -1.769 28.547 30.300 0.026 0.000 0.833 493 R HN 0.042 nan 8.270 nan 0.000 0.456 494 D N 1.833 122.258 120.400 0.043 0.000 3.266 494 D HA -0.102 4.544 4.640 0.010 0.000 0.229 494 D C 0.173 176.512 176.300 0.065 0.000 1.072 494 D CA 0.492 54.523 54.000 0.050 0.000 1.690 494 D CB -0.078 40.753 40.800 0.051 0.000 1.185 494 D HN 0.389 nan 8.370 nan 0.000 0.513 495 S N 0.801 116.537 115.700 0.059 0.000 2.561 495 S HA -0.104 4.372 4.470 0.010 0.000 0.225 495 S C 1.686 176.323 174.600 0.062 0.000 0.977 495 S CA 0.133 58.373 58.200 0.066 0.000 0.926 495 S CB 0.385 63.619 63.200 0.056 0.000 0.769 495 S HN 0.406 nan 8.310 nan 0.000 0.533 496 K N 2.050 122.482 120.400 0.054 0.000 1.988 496 K HA -0.103 4.223 4.320 0.010 0.000 0.221 496 K C 0.517 177.152 176.600 0.059 0.000 1.053 496 K CA 1.680 57.997 56.287 0.050 0.000 0.959 496 K CB -0.582 31.943 32.500 0.041 0.000 0.728 496 K HN 0.399 nan 8.250 nan 0.000 0.447 497 S N 2.336 118.079 115.700 0.072 0.000 2.573 497 S HA 0.103 4.579 4.470 0.010 0.000 0.277 497 S C -2.391 172.273 174.600 0.108 0.000 1.346 497 S CA -1.144 57.110 58.200 0.091 0.000 1.034 497 S CB 0.692 63.961 63.200 0.115 0.000 0.879 497 S HN 0.253 nan 8.310 nan 0.000 0.528 498 P HA 0.160 nan 4.420 nan 0.000 0.271 498 P C -0.642 176.749 177.300 0.152 0.000 1.216 498 P CA -0.372 62.790 63.100 0.105 0.000 0.776 498 P CB 0.377 32.123 31.700 0.075 0.000 0.881 499 Q N 1.104 120.997 119.800 0.155 0.000 2.293 499 Q HA 0.131 4.477 4.340 0.010 0.000 0.251 499 Q C -0.499 175.671 176.000 0.283 0.000 0.930 499 Q CA 0.047 55.979 55.803 0.216 0.000 0.893 499 Q CB 0.732 29.581 28.738 0.186 0.000 1.215 499 Q HN 0.562 nan 8.270 nan 0.000 0.425 500 W N 6.436 127.806 121.300 0.118 0.000 2.387 500 W HA 0.288 4.953 4.660 0.009 0.000 0.310 500 W C -2.470 174.202 176.519 0.256 0.000 1.181 500 W CA -2.340 55.089 57.345 0.140 0.000 1.333 500 W CB 0.378 29.871 29.460 0.055 0.000 1.286 500 W HN 0.401 nan 8.180 nan 0.000 0.455 501 P HA 0.329 nan 4.420 nan 0.000 0.282 501 P C -2.636 174.857 177.300 0.321 0.000 1.259 501 P CA -1.924 61.401 63.100 0.376 0.000 0.826 501 P CB 0.874 32.706 31.700 0.221 0.000 1.064 502 P HA 0.038 nan 4.420 nan 0.000 0.267 502 P C -0.596 176.698 177.300 -0.009 0.000 1.200 502 P CA 0.247 63.138 63.100 -0.348 0.000 0.772 502 P CB 0.020 31.495 31.700 -0.374 0.000 0.855 503 Y N 2.629 122.877 120.300 -0.086 0.000 2.377 503 Y HA 0.355 4.914 4.550 0.015 0.000 0.330 503 Y C 0.300 176.197 175.900 -0.005 0.000 1.108 503 Y CA 0.556 58.675 58.100 0.032 0.000 1.308 503 Y CB 0.357 38.860 38.460 0.072 0.000 1.216 503 Y HN 0.386 nan 8.280 nan 0.000 0.518 504 T N 0.359 114.610 114.554 -0.505 0.000 2.906 504 T HA 0.234 4.590 4.350 0.010 0.000 0.295 504 T C 0.850 175.264 174.700 -0.477 0.000 1.061 504 T CA -0.223 61.680 62.100 -0.329 0.000 1.000 504 T CB 1.294 70.064 68.868 -0.162 0.000 1.103 504 T HN 0.675 nan 8.240 nan 0.000 0.486 505 T N -0.292 114.135 114.554 -0.213 0.000 2.788 505 T HA -0.044 4.312 4.350 0.010 0.000 0.268 505 T C 2.320 176.953 174.700 -0.112 0.000 1.044 505 T CA 1.077 63.099 62.100 -0.131 0.000 1.139 505 T CB -0.882 67.977 68.868 -0.015 0.000 0.867 505 T HN 0.884 nan 8.240 nan 0.000 0.454 506 A N 1.750 124.515 122.820 -0.091 0.000 1.902 506 A HA 0.410 4.736 4.320 0.010 0.000 0.217 506 A C 2.596 180.139 177.584 -0.070 0.000 1.181 506 A CA 1.861 53.863 52.037 -0.058 0.000 0.623 506 A CB -1.034 17.944 19.000 -0.037 0.000 0.818 506 A HN 0.835 nan 8.150 nan 0.000 0.443 507 A N -2.388 120.364 122.820 -0.114 0.000 2.324 507 A HA 0.360 4.686 4.320 0.010 0.000 0.220 507 A C 0.744 178.263 177.584 -0.109 0.000 1.209 507 A CA 0.663 52.650 52.037 -0.082 0.000 0.918 507 A CB -0.099 18.872 19.000 -0.048 0.000 0.959 507 A HN 0.490 nan 8.150 nan 0.000 0.507 508 Q N 0.302 119.915 119.800 -0.311 0.000 2.423 508 Q HA -0.235 4.111 4.340 0.010 0.000 0.332 508 Q C -0.593 175.458 176.000 0.086 0.000 1.355 508 Q CA 0.741 56.306 55.803 -0.396 0.000 0.947 508 Q CB -1.651 27.069 28.738 -0.031 0.000 1.189 508 Q HN 0.814 nan 8.270 nan 0.000 0.418 509 Q N 0.377 120.222 119.800 0.076 0.000 2.259 509 Q HA 0.579 4.925 4.340 0.010 0.000 0.246 509 Q C -0.491 175.808 176.000 0.499 0.000 0.920 509 Q CA -0.339 55.602 55.803 0.230 0.000 0.895 509 Q CB 0.822 29.631 28.738 0.118 0.000 1.220 509 Q HN 0.376 nan 8.270 nan 0.000 0.439 510 Y N -1.906 118.533 120.300 0.231 0.000 2.638 510 Y HA 0.707 5.268 4.550 0.018 0.000 0.335 510 Y C -1.208 174.691 175.900 -0.001 0.000 1.155 510 Y CA -1.498 56.724 58.100 0.204 0.000 1.046 510 Y CB 0.484 39.059 38.460 0.191 0.000 1.303 510 Y HN 0.369 nan 8.280 nan 0.000 0.460 511 V N -0.364 119.453 119.914 -0.163 0.000 2.881 511 V HA 0.857 4.983 4.120 0.010 0.000 0.316 511 V C -0.147 175.848 176.094 -0.167 0.000 1.070 511 V CA -0.552 61.511 62.300 -0.396 0.000 0.976 511 V CB 1.313 32.661 31.823 -0.790 0.000 1.038 511 V HN 1.195 nan 8.190 nan 0.000 0.446 512 S N 3.082 118.686 115.700 -0.160 0.000 2.537 512 S HA 0.709 5.185 4.470 0.010 0.000 0.275 512 S C -0.505 174.055 174.600 -0.068 0.000 1.272 512 S CA -0.670 57.508 58.200 -0.037 0.000 1.050 512 S CB 0.605 63.777 63.200 -0.048 0.000 0.961 512 S HN 0.750 nan 8.310 nan 0.000 0.496 513 L N 4.025 125.253 121.223 0.009 0.000 2.277 513 L HA 0.528 4.874 4.340 0.010 0.000 0.284 513 L C -0.270 176.481 176.870 -0.198 0.000 1.028 513 L CA -0.450 54.408 54.840 0.030 0.000 0.835 513 L CB 0.179 42.361 42.059 0.204 0.000 1.215 513 L HN 0.944 nan 8.230 nan 0.000 0.425 514 N N 2.200 120.691 118.700 -0.348 0.000 3.526 514 N HA 0.360 5.106 4.740 0.010 0.000 0.328 514 N C 0.157 175.069 175.510 -0.996 0.000 1.601 514 N CA -0.954 51.644 53.050 -0.754 0.000 0.834 514 N CB 0.661 38.907 38.487 -0.402 0.000 1.983 514 N HN 0.182 nan 8.380 nan 0.000 0.579 515 L N -0.823 119.898 121.223 -0.836 0.000 2.240 515 L HA 0.172 4.518 4.340 0.010 0.000 0.211 515 L C 0.482 177.158 176.870 -0.323 0.000 1.106 515 L CA 0.769 55.215 54.840 -0.657 0.000 0.793 515 L CB -0.433 41.337 42.059 -0.483 0.000 0.927 515 L HN 0.363 nan 8.230 nan 0.000 0.446 516 K N 0.397 120.649 120.400 -0.245 0.000 2.219 516 K HA 0.198 4.524 4.320 0.010 0.000 0.258 516 K C -2.165 174.379 176.600 -0.093 0.000 1.008 516 K CA -1.747 54.460 56.287 -0.133 0.000 0.928 516 K CB 0.028 32.465 32.500 -0.105 0.000 0.983 516 K HN -0.202 nan 8.250 nan 0.000 0.484 517 P HA -0.038 nan 4.420 nan 0.000 0.270 517 P C -0.345 176.955 177.300 0.000 0.000 1.223 517 P CA -0.181 62.924 63.100 0.008 0.000 0.785 517 P CB 0.406 32.115 31.700 0.017 0.000 0.923 518 L N 1.550 122.797 121.223 0.040 0.000 2.667 518 L HA -0.091 4.255 4.340 0.010 0.000 0.278 518 L C 1.093 177.935 176.870 -0.047 0.000 1.217 518 L CA 1.039 55.869 54.840 -0.016 0.000 0.935 518 L CB -0.402 41.663 42.059 0.011 0.000 1.193 518 L HN 0.527 nan 8.230 nan 0.000 0.493 519 E N 3.344 123.489 120.200 -0.091 0.000 2.207 519 E HA 0.486 4.842 4.350 0.010 0.000 0.270 519 E C -1.453 175.055 176.600 -0.152 0.000 0.927 519 E CA -0.798 55.546 56.400 -0.094 0.000 0.799 519 E CB 2.171 31.821 29.700 -0.083 0.000 1.172 519 E HN 0.295 nan 8.360 nan 0.000 0.404 520 V N 4.747 124.581 119.914 -0.134 0.000 2.398 520 V HA 0.487 4.613 4.120 0.010 0.000 0.286 520 V C 0.066 176.024 176.094 -0.226 0.000 1.026 520 V CA -0.597 61.598 62.300 -0.175 0.000 0.868 520 V CB 1.171 32.947 31.823 -0.077 0.000 0.982 520 V HN 0.667 nan 8.190 nan 0.000 0.443 521 R N 4.354 124.593 120.500 -0.435 0.000 2.919 521 R HA 0.763 5.109 4.340 0.010 0.000 0.260 521 R C -1.032 175.079 176.300 -0.316 0.000 1.067 521 R CA -1.070 54.768 56.100 -0.436 0.000 1.003 521 R CB 2.367 32.301 30.300 -0.611 0.000 1.192 521 R HN 0.577 nan 8.270 nan 0.000 0.488 522 R N -0.014 120.466 120.500 -0.033 0.000 2.686 522 R HA 0.519 4.865 4.340 0.010 0.000 0.286 522 R C -0.386 176.093 176.300 0.299 0.000 0.969 522 R CA -0.693 55.493 56.100 0.143 0.000 0.898 522 R CB 2.134 32.477 30.300 0.073 0.000 1.183 522 R HN 0.905 nan 8.270 nan 0.000 0.456 523 G N 1.689 110.697 108.800 0.348 0.000 3.138 523 G HA2 -0.218 3.748 3.960 0.010 0.000 0.685 523 G HA3 -0.218 3.748 3.960 0.010 0.000 0.685 523 G C -1.067 174.021 174.900 0.313 0.000 0.995 523 G CA -0.860 44.420 45.100 0.299 0.000 0.849 523 G HN 0.333 nan 8.290 nan 0.000 0.537 524 L N 4.418 125.738 121.223 0.160 0.000 2.287 524 L HA 0.535 4.881 4.340 0.010 0.000 0.280 524 L C 1.457 178.357 176.870 0.050 0.000 1.055 524 L CA -0.609 54.195 54.840 -0.059 0.000 0.863 524 L CB 0.274 42.206 42.059 -0.212 0.000 1.245 524 L HN 0.748 nan 8.230 nan 0.000 0.432 525 R N 2.894 123.453 120.500 0.099 0.000 3.225 525 R HA -0.266 4.080 4.340 0.010 0.000 0.245 525 R C 1.267 177.666 176.300 0.165 0.000 0.928 525 R CA 0.720 56.910 56.100 0.149 0.000 0.632 525 R CB -2.031 28.370 30.300 0.169 0.000 1.038 525 R HN 0.739 nan 8.270 nan 0.000 0.461 526 A N 0.601 123.515 122.820 0.157 0.000 1.883 526 A HA -0.235 4.092 4.320 0.010 0.000 0.217 526 A C 2.079 179.758 177.584 0.158 0.000 1.186 526 A CA 1.196 53.326 52.037 0.155 0.000 0.624 526 A CB -0.098 18.988 19.000 0.144 0.000 0.822 526 A HN 0.386 nan 8.150 nan 0.000 0.444 527 Q N -0.564 119.327 119.800 0.152 0.000 2.020 527 Q HA -0.120 4.226 4.340 0.010 0.000 0.202 527 Q C 2.289 178.409 176.000 0.200 0.000 0.982 527 Q CA 2.179 58.075 55.803 0.155 0.000 0.838 527 Q CB -1.247 27.570 28.738 0.131 0.000 0.899 527 Q HN 0.647 nan 8.270 nan 0.000 0.423 528 T N 0.436 115.129 114.554 0.231 0.000 2.788 528 T HA -0.133 4.223 4.350 0.010 0.000 0.268 528 T C 1.998 176.893 174.700 0.324 0.000 1.044 528 T CA 1.231 63.481 62.100 0.251 0.000 1.139 528 T CB -0.289 68.772 68.868 0.322 0.000 0.867 528 T HN 0.319 nan 8.240 nan 0.000 0.454 529 c N 1.463 120.254 118.600 0.320 0.000 2.446 529 c HA 0.254 4.830 4.570 0.010 0.000 0.279 529 c C 3.116 177.367 174.090 0.269 0.000 1.366 529 c CA -0.064 56.474 56.329 0.348 0.000 1.763 529 c CB -1.390 41.267 42.510 0.244 0.000 1.929 529 c HN 0.644 nan 8.230 nan 0.000 0.509 530 A N 0.250 123.194 122.820 0.208 0.000 1.940 530 A HA -0.217 4.109 4.320 0.010 0.000 0.219 530 A C 1.851 179.533 177.584 0.162 0.000 1.176 530 A CA 1.699 53.836 52.037 0.166 0.000 0.631 530 A CB -0.772 18.313 19.000 0.141 0.000 0.814 530 A HN 0.552 nan 8.150 nan 0.000 0.446 531 F N -0.765 119.175 119.950 -0.017 0.000 2.051 531 F HA -0.180 4.352 4.527 0.009 0.000 0.296 531 F C 2.005 177.744 175.800 -0.102 0.000 1.122 531 F CA 1.915 59.822 58.000 -0.154 0.000 1.201 531 F CB -0.665 37.988 39.000 -0.579 0.000 0.978 531 F HN 0.380 nan 8.300 nan 0.000 0.472 532 W N 0.529 121.837 121.300 0.014 0.000 2.388 532 W HA -0.153 4.511 4.660 0.007 0.000 0.294 532 W C 2.193 178.673 176.519 -0.064 0.000 1.212 532 W CA 1.074 58.384 57.345 -0.058 0.000 1.271 532 W CB -0.620 28.931 29.460 0.152 0.000 1.126 532 W HN 0.006 nan 8.180 nan 0.000 0.535 533 N N -0.555 118.277 118.700 0.220 0.000 2.402 533 N HA 0.033 4.779 4.740 0.010 0.000 0.174 533 N C 1.532 177.082 175.510 0.067 0.000 1.027 533 N CA 0.948 54.079 53.050 0.135 0.000 0.891 533 N CB -0.240 38.328 38.487 0.135 0.000 1.016 533 N HN 0.213 nan 8.380 nan 0.000 0.439 534 R N -1.124 119.414 120.500 0.063 0.000 2.119 534 R HA 0.231 4.577 4.340 0.010 0.000 0.202 534 R C 1.557 177.885 176.300 0.047 0.000 1.114 534 R CA 0.050 56.186 56.100 0.060 0.000 1.089 534 R CB -0.380 29.976 30.300 0.093 0.000 1.000 534 R HN 0.035 nan 8.270 nan 0.000 0.487 535 F N 1.974 121.843 119.950 -0.135 0.000 2.098 535 F HA -0.030 4.504 4.527 0.010 0.000 0.294 535 F C 2.003 177.644 175.800 -0.264 0.000 1.107 535 F CA 1.105 58.995 58.000 -0.183 0.000 1.234 535 F CB -0.279 38.614 39.000 -0.180 0.000 1.002 535 F HN -0.105 nan 8.300 nan 0.000 0.472 536 L N 1.017 121.910 121.223 -0.551 0.000 2.079 536 L HA -0.124 4.222 4.340 0.010 0.000 0.210 536 L C -0.619 176.012 176.870 -0.399 0.000 1.081 536 L CA 1.957 56.416 54.840 -0.635 0.000 0.752 536 L CB -2.151 39.527 42.059 -0.635 0.000 0.896 536 L HN 0.079 nan 8.230 nan 0.000 0.433 537 P HA -0.220 nan 4.420 nan 0.000 0.215 537 P C 1.470 178.641 177.300 -0.215 0.000 1.163 537 P CA 1.759 64.760 63.100 -0.165 0.000 0.894 537 P CB -0.093 31.548 31.700 -0.098 0.000 0.791 538 K N -1.028 119.199 120.400 -0.288 0.000 2.097 538 K HA -0.111 4.215 4.320 0.010 0.000 0.206 538 K C 1.925 178.331 176.600 -0.324 0.000 1.049 538 K CA 0.981 57.107 56.287 -0.269 0.000 0.933 538 K CB -1.086 31.274 32.500 -0.232 0.000 0.717 538 K HN 0.099 nan 8.250 nan 0.000 0.442 539 L N 1.147 122.043 121.223 -0.544 0.000 2.450 539 L HA -0.075 4.271 4.340 0.010 0.000 0.224 539 L C 0.903 177.638 176.870 -0.225 0.000 1.149 539 L CA 1.180 55.769 54.840 -0.418 0.000 0.816 539 L CB -0.155 41.558 42.059 -0.577 0.000 0.932 539 L HN 0.036 nan 8.230 nan 0.000 0.449 540 L N -0.943 120.159 121.223 -0.201 0.000 2.978 540 L HA 0.300 4.647 4.340 0.010 0.000 0.239 540 L C 0.503 177.318 176.870 -0.091 0.000 1.293 540 L CA 0.325 55.096 54.840 -0.115 0.000 1.085 540 L CB -0.857 41.148 42.059 -0.090 0.000 1.432 540 L HN 0.108 nan 8.230 nan 0.000 0.512 541 S N -0.272 115.370 115.700 -0.096 0.000 2.569 541 S HA 0.796 5.272 4.470 0.010 0.000 0.215 541 S C 0.075 174.641 174.600 -0.057 0.000 1.096 541 S CA -0.023 58.137 58.200 -0.067 0.000 1.183 541 S CB 1.173 64.334 63.200 -0.064 0.000 1.324 541 S HN 0.318 nan 8.310 nan 0.000 0.421 542 A N 0.000 122.789 122.820 -0.051 0.000 2.254 542 A HA 0.000 4.326 4.320 0.010 0.000 0.244 542 A CA 0.000 52.016 52.037 -0.036 0.000 0.836 542 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486