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 1q84_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 GESAGAASVG 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 S 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 0.000 176.612 176.600 0.020 0.000 1.382 1 E CA 0.000 56.415 56.400 0.024 0.000 0.976 1 E CB 0.000 29.715 29.700 0.025 0.000 0.812 2 G N 0.177 108.988 108.800 0.017 0.000 4.257 2 G HA2 -0.207 3.760 3.960 0.011 0.000 0.270 2 G HA3 -0.207 3.760 3.960 0.011 0.000 0.270 2 G C 0.886 175.795 174.900 0.014 0.000 1.717 2 G CA 0.692 45.800 45.100 0.014 0.000 1.170 2 G HN 0.768 nan 8.290 nan 0.000 0.642 3 R N 2.438 122.947 120.500 0.014 0.000 2.546 3 R HA 0.241 4.588 4.340 0.011 0.000 0.320 3 R C 0.197 176.508 176.300 0.017 0.000 1.021 3 R CA 0.445 56.554 56.100 0.014 0.000 1.088 3 R CB 0.450 30.755 30.300 0.010 0.000 1.278 3 R HN 0.753 nan 8.270 nan 0.000 0.557 4 E N 0.526 120.740 120.200 0.022 0.000 2.250 4 E HA 0.110 4.466 4.350 0.011 0.000 0.265 4 E C -0.633 175.989 176.600 0.038 0.000 1.033 4 E CA -0.898 55.518 56.400 0.027 0.000 0.888 4 E CB 1.068 30.785 29.700 0.029 0.000 1.151 4 E HN -0.185 nan 8.360 nan 0.000 0.412 5 D N 2.398 122.828 120.400 0.050 0.000 2.451 5 D HA -0.018 4.629 4.640 0.011 0.000 0.254 5 D C -1.312 175.030 176.300 0.069 0.000 1.204 5 D CA -1.768 52.279 54.000 0.078 0.000 0.896 5 D CB 0.857 41.730 40.800 0.122 0.000 1.136 5 D HN 0.177 nan 8.370 nan 0.000 0.499 6 P HA -0.140 nan 4.420 nan 0.000 0.226 6 P C 1.037 178.355 177.300 0.030 0.000 1.153 6 P CA 0.621 63.740 63.100 0.032 0.000 0.777 6 P CB 0.460 32.167 31.700 0.012 0.000 0.794 7 Q N -0.238 119.572 119.800 0.017 0.000 2.488 7 Q HA 0.050 4.397 4.340 0.011 0.000 0.211 7 Q C 1.648 177.731 176.000 0.138 0.000 0.967 7 Q CA 0.833 56.628 55.803 -0.013 0.000 0.926 7 Q CB -0.815 27.765 28.738 -0.263 0.000 0.992 7 Q HN 0.277 nan 8.270 nan 0.000 0.506 8 L N -0.538 120.782 121.223 0.160 0.000 2.693 8 L HA 0.295 4.642 4.340 0.011 0.000 0.235 8 L C -0.345 176.694 176.870 0.282 0.000 1.127 8 L CA -0.194 54.767 54.840 0.203 0.000 0.914 8 L CB 0.393 42.485 42.059 0.054 0.000 1.193 8 L HN 0.005 nan 8.230 nan 0.000 0.502 9 L N 0.923 122.267 121.223 0.202 0.000 2.287 9 L HA 0.569 4.916 4.340 0.011 0.000 0.287 9 L C -0.717 176.212 176.870 0.097 0.000 1.022 9 L CA -0.445 54.492 54.840 0.162 0.000 0.814 9 L CB 1.885 43.998 42.059 0.089 0.000 1.217 9 L HN -0.233 nan 8.230 nan 0.000 0.420 10 V N 3.423 123.379 119.914 0.070 0.000 2.888 10 V HA 0.470 4.597 4.120 0.011 0.000 0.309 10 V C -0.532 175.494 176.094 -0.113 0.000 1.114 10 V CA -0.719 61.485 62.300 -0.160 0.000 0.940 10 V CB 2.929 34.425 31.823 -0.546 0.000 1.021 10 V HN 0.721 nan 8.190 nan 0.000 0.426 11 R N 2.597 122.995 120.500 -0.170 0.000 2.338 11 R HA 0.800 5.147 4.340 0.011 0.000 0.317 11 R C -0.728 175.477 176.300 -0.159 0.000 0.968 11 R CA -0.317 55.719 56.100 -0.108 0.000 0.849 11 R CB 1.733 31.971 30.300 -0.103 0.000 1.128 11 R HN 0.704 nan 8.270 nan 0.000 0.448 12 V N 1.914 121.792 119.914 -0.059 0.000 3.204 12 V HA 0.506 4.633 4.120 0.011 0.000 0.316 12 V C 1.112 177.130 176.094 -0.126 0.000 1.160 12 V CA -0.929 61.331 62.300 -0.067 0.000 1.044 12 V CB 1.633 33.555 31.823 0.166 0.000 1.136 12 V HN 0.852 nan 8.190 nan 0.000 0.455 13 R N 1.146 121.558 120.500 -0.148 0.000 2.159 13 R HA 0.030 4.376 4.340 0.011 0.000 0.237 13 R C 1.675 177.852 176.300 -0.206 0.000 1.131 13 R CA 2.272 58.281 56.100 -0.152 0.000 0.982 13 R CB -1.041 29.184 30.300 -0.125 0.000 0.868 13 R HN 1.025 nan 8.270 nan 0.000 0.453 14 G N -1.846 106.788 108.800 -0.276 0.000 2.939 14 G HA2 0.429 4.396 3.960 0.011 0.000 0.210 14 G HA3 0.429 4.396 3.960 0.011 0.000 0.210 14 G C 0.242 174.247 174.900 -1.492 0.000 1.160 14 G CA 0.226 44.932 45.100 -0.657 0.000 0.770 14 G HN 0.695 nan 8.290 nan 0.000 0.543 15 G N -0.972 107.209 108.800 -1.033 0.000 2.340 15 G HA2 0.145 4.112 3.960 0.011 0.000 0.282 15 G HA3 0.145 4.112 3.960 0.011 0.000 0.282 15 G C -1.185 173.632 174.900 -0.138 0.000 1.312 15 G CA -1.004 43.578 45.100 -0.863 0.000 0.942 15 G HN 0.248 nan 8.290 nan 0.000 0.495 16 Q N -0.489 119.392 119.800 0.134 0.000 2.299 16 Q HA 0.668 5.015 4.340 0.011 0.000 0.246 16 Q C -0.372 175.908 176.000 0.467 0.000 0.935 16 Q CA -0.054 55.903 55.803 0.257 0.000 0.887 16 Q CB 1.566 30.412 28.738 0.180 0.000 1.223 16 Q HN 0.440 nan 8.270 nan 0.000 0.439 17 L N 1.548 122.979 121.223 0.347 0.000 2.370 17 L HA 0.608 4.955 4.340 0.011 0.000 0.266 17 L C -0.485 176.582 176.870 0.327 0.000 1.002 17 L CA -0.787 54.279 54.840 0.376 0.000 0.818 17 L CB 2.204 44.546 42.059 0.472 0.000 1.325 17 L HN 0.466 nan 8.230 nan 0.000 0.418 18 R N 0.776 121.429 120.500 0.255 0.000 2.360 18 R HA 0.634 4.981 4.340 0.011 0.000 0.318 18 R C -0.295 176.040 176.300 0.059 0.000 0.950 18 R CA -0.313 55.889 56.100 0.170 0.000 0.837 18 R CB 1.685 32.031 30.300 0.078 0.000 1.165 18 R HN 0.820 nan 8.270 nan 0.000 0.458 19 G N 3.303 112.014 108.800 -0.148 0.000 2.583 19 G HA2 0.471 4.438 3.960 0.011 0.000 0.280 19 G HA3 0.471 4.438 3.960 0.011 0.000 0.280 19 G C -0.982 173.664 174.900 -0.423 0.000 1.376 19 G CA -0.693 44.006 45.100 -0.669 0.000 1.043 19 G HN 0.568 nan 8.290 nan 0.000 0.538 20 I N -0.627 119.667 120.570 -0.460 0.000 2.647 20 I HA 0.479 4.656 4.170 0.011 0.000 0.295 20 I C -0.222 175.759 176.117 -0.228 0.000 1.078 20 I CA -1.107 60.031 61.300 -0.270 0.000 1.048 20 I CB 2.093 39.948 38.000 -0.242 0.000 1.239 20 I HN 0.431 nan 8.210 nan 0.000 0.421 21 R N 7.856 128.262 120.500 -0.157 0.000 2.216 21 R HA 0.511 4.858 4.340 0.011 0.000 0.332 21 R C -1.692 174.502 176.300 -0.175 0.000 1.056 21 R CA -0.340 55.654 56.100 -0.176 0.000 0.901 21 R CB 0.520 30.674 30.300 -0.244 0.000 1.039 21 R HN 0.628 nan 8.270 nan 0.000 0.456 22 L N 3.506 124.643 121.223 -0.143 0.000 2.334 22 L HA 0.470 4.817 4.340 0.011 0.000 0.270 22 L C 0.168 176.966 176.870 -0.120 0.000 1.018 22 L CA -0.925 53.850 54.840 -0.108 0.000 0.811 22 L CB 1.740 43.772 42.059 -0.045 0.000 1.271 22 L HN 0.477 nan 8.230 nan 0.000 0.443 23 K N 1.325 121.662 120.400 -0.105 0.000 2.227 23 K HA 0.639 4.966 4.320 0.011 0.000 0.280 23 K C -0.735 175.798 176.600 -0.111 0.000 1.041 23 K CA -0.296 55.931 56.287 -0.100 0.000 0.905 23 K CB 1.478 33.932 32.500 -0.077 0.000 1.068 23 K HN 0.710 nan 8.250 nan 0.000 0.470 24 A N 4.876 127.629 122.820 -0.112 0.000 2.322 24 A HA 0.495 4.822 4.320 0.011 0.000 0.327 24 A C -2.022 175.547 177.584 -0.025 0.000 1.134 24 A CA -1.612 50.344 52.037 -0.135 0.000 0.831 24 A CB 0.613 19.491 19.000 -0.203 0.000 1.288 24 A HN 0.527 nan 8.150 nan 0.000 0.472 25 P HA -0.151 nan 4.420 nan 0.000 0.216 25 P C 1.384 178.708 177.300 0.040 0.000 1.157 25 P CA 2.263 65.405 63.100 0.070 0.000 0.880 25 P CB 0.117 31.894 31.700 0.127 0.000 0.791 26 G N -2.239 106.586 108.800 0.042 0.000 2.920 26 G HA2 0.408 4.375 3.960 0.011 0.000 0.208 26 G HA3 0.408 4.375 3.960 0.011 0.000 0.208 26 G C 0.582 175.493 174.900 0.020 0.000 1.159 26 G CA 0.557 45.676 45.100 0.031 0.000 0.784 26 G HN 0.665 nan 8.290 nan 0.000 0.535 27 G N -0.657 108.146 108.800 0.004 0.000 2.369 27 G HA2 0.345 4.312 3.960 0.011 0.000 0.293 27 G HA3 0.345 4.312 3.960 0.011 0.000 0.293 27 G C -3.348 171.531 174.900 -0.036 0.000 1.301 27 G CA -0.681 44.414 45.100 -0.007 0.000 0.913 27 G HN 0.049 nan 8.290 nan 0.000 0.540 28 P HA 0.524 nan 4.420 nan 0.000 0.274 28 P C -0.007 177.275 177.300 -0.030 0.000 1.231 28 P CA -0.214 62.793 63.100 -0.156 0.000 0.790 28 P CB 1.560 32.999 31.700 -0.435 0.000 0.951 29 V N -1.511 118.390 119.914 -0.021 0.000 3.040 29 V HA 0.674 4.800 4.120 0.011 0.000 0.312 29 V C -0.362 175.822 176.094 0.149 0.000 1.115 29 V CA -0.917 61.463 62.300 0.132 0.000 0.998 29 V CB 1.808 33.720 31.823 0.149 0.000 1.042 29 V HN 0.424 nan 8.190 nan 0.000 0.433 30 S N 1.516 117.377 115.700 0.268 0.000 2.480 30 S HA 0.870 5.346 4.470 0.011 0.000 0.286 30 S C -0.003 174.646 174.600 0.080 0.000 1.180 30 S CA 0.005 58.319 58.200 0.191 0.000 1.075 30 S CB 1.256 64.680 63.200 0.374 0.000 0.996 30 S HN 1.553 nan 8.310 nan 0.000 0.487 31 A N 2.561 125.242 122.820 -0.232 0.000 2.371 31 A HA 0.820 5.147 4.320 0.011 0.000 0.311 31 A C -1.338 175.872 177.584 -0.624 0.000 1.068 31 A CA -0.626 51.157 52.037 -0.423 0.000 0.744 31 A CB 0.592 19.238 19.000 -0.589 0.000 1.239 31 A HN 0.673 nan 8.150 nan 0.000 0.435 32 F N 2.450 122.227 119.950 -0.288 0.000 2.434 32 F HA 0.485 5.018 4.527 0.011 0.000 0.367 32 F C -0.251 175.367 175.800 -0.303 0.000 1.093 32 F CA -0.270 57.638 58.000 -0.155 0.000 1.085 32 F CB 1.333 40.387 39.000 0.090 0.000 1.322 32 F HN 0.345 nan 8.300 nan 0.000 0.452 33 L N 2.132 123.199 121.223 -0.259 0.000 2.334 33 L HA 0.724 5.071 4.340 0.011 0.000 0.276 33 L C 0.846 177.603 176.870 -0.189 0.000 1.014 33 L CA -0.978 53.647 54.840 -0.359 0.000 0.815 33 L CB 1.800 43.443 42.059 -0.692 0.000 1.268 33 L HN 0.801 nan 8.230 nan 0.000 0.428 34 G N 3.076 111.826 108.800 -0.083 0.000 2.212 34 G HA2 -0.240 3.727 3.960 0.011 0.000 0.255 34 G HA3 -0.240 3.727 3.960 0.011 0.000 0.255 34 G C -0.161 174.775 174.900 0.060 0.000 1.062 34 G CA -0.411 44.656 45.100 -0.055 0.000 0.815 34 G HN 0.473 nan 8.290 nan 0.000 0.497 35 I N 2.097 122.724 120.570 0.095 0.000 2.396 35 I HA 0.243 4.420 4.170 0.011 0.000 0.289 35 I C -1.473 174.733 176.117 0.148 0.000 1.056 35 I CA -2.127 59.227 61.300 0.090 0.000 1.365 35 I CB 1.051 39.065 38.000 0.025 0.000 1.407 35 I HN -0.028 nan 8.210 nan 0.000 0.509 36 P HA 0.064 nan 4.420 nan 0.000 0.281 36 P C -0.239 177.039 177.300 -0.037 0.000 1.252 36 P CA -0.035 62.968 63.100 -0.162 0.000 0.778 36 P CB 0.550 32.151 31.700 -0.165 0.000 0.895 37 F N 0.874 120.696 119.950 -0.214 0.000 2.728 37 F HA 0.720 5.254 4.527 0.012 0.000 0.314 37 F C 0.078 175.878 175.800 0.000 0.000 1.094 37 F CA -0.684 57.255 58.000 -0.102 0.000 1.217 37 F CB 0.198 39.035 39.000 -0.273 0.000 1.056 37 F HN 0.316 nan 8.300 nan 0.000 0.577 38 A N 0.164 122.696 122.820 -0.480 0.000 2.556 38 A HA 0.591 4.917 4.320 0.011 0.000 0.294 38 A C -0.793 176.636 177.584 -0.258 0.000 1.091 38 A CA -0.776 51.076 52.037 -0.308 0.000 0.704 38 A CB 0.987 19.720 19.000 -0.445 0.000 1.300 38 A HN 0.063 nan 8.150 nan 0.000 0.406 39 E N 1.279 121.403 120.200 -0.128 0.000 2.414 39 E HA 0.214 4.571 4.350 0.011 0.000 0.263 39 E C -2.292 174.214 176.600 -0.157 0.000 1.000 39 E CA -1.283 55.056 56.400 -0.102 0.000 0.914 39 E CB -0.023 29.653 29.700 -0.040 0.000 0.948 39 E HN 0.238 nan 8.360 nan 0.000 0.444 40 P HA -0.003 nan 4.420 nan 0.000 0.260 40 P C -2.230 175.006 177.300 -0.105 0.000 1.185 40 P CA -0.721 62.296 63.100 -0.140 0.000 0.763 40 P CB -0.093 31.562 31.700 -0.076 0.000 0.776 41 P HA 0.031 nan 4.420 nan 0.000 0.220 41 P C -0.424 176.821 177.300 -0.091 0.000 1.806 41 P CA -0.007 63.039 63.100 -0.091 0.000 0.976 41 P CB -0.031 31.616 31.700 -0.088 0.000 1.952 42 V N -2.386 117.481 119.914 -0.078 0.000 2.919 42 V HA 0.914 5.041 4.120 0.011 0.000 0.316 42 V C 0.830 176.884 176.094 -0.067 0.000 1.077 42 V CA 0.144 62.397 62.300 -0.077 0.000 0.977 42 V CB 0.989 32.777 31.823 -0.058 0.000 1.039 42 V HN 0.568 nan 8.190 nan 0.000 0.441 43 G N 3.071 111.830 108.800 -0.069 0.000 2.543 43 G HA2 -0.313 3.653 3.960 0.011 0.000 0.286 43 G HA3 -0.313 3.653 3.960 0.011 0.000 0.286 43 G C 1.179 176.048 174.900 -0.051 0.000 1.153 43 G CA 1.326 46.397 45.100 -0.049 0.000 0.968 43 G HN 2.354 nan 8.290 nan 0.000 0.544 44 S N 0.686 116.369 115.700 -0.028 0.000 2.555 44 S HA 0.087 4.564 4.470 0.011 0.000 0.230 44 S C 1.819 176.409 174.600 -0.017 0.000 0.978 44 S CA 1.455 59.648 58.200 -0.012 0.000 0.934 44 S CB -0.033 63.168 63.200 0.002 0.000 0.766 44 S HN 0.659 nan 8.310 nan 0.000 0.533 45 R N 0.944 121.421 120.500 -0.038 0.000 2.317 45 R HA 0.234 4.581 4.340 0.011 0.000 0.208 45 R C 0.819 177.072 176.300 -0.079 0.000 0.914 45 R CA -0.169 55.907 56.100 -0.039 0.000 1.060 45 R CB -0.115 30.163 30.300 -0.038 0.000 1.015 45 R HN 0.446 nan 8.270 nan 0.000 0.498 46 R N 0.835 121.238 120.500 -0.161 0.000 2.537 46 R HA -0.077 4.270 4.340 0.011 0.000 0.280 46 R C -0.231 175.849 176.300 -0.367 0.000 1.058 46 R CA 0.398 56.276 56.100 -0.370 0.000 1.057 46 R CB 0.176 30.125 30.300 -0.585 0.000 0.973 46 R HN 0.057 nan 8.270 nan 0.000 0.438 47 F N -0.764 119.188 119.950 0.003 0.000 2.748 47 F HA -0.287 4.246 4.527 0.011 0.000 0.370 47 F C -0.002 175.780 175.800 -0.030 0.000 0.620 47 F CA 0.533 58.511 58.000 -0.038 0.000 1.233 47 F CB -1.454 37.512 39.000 -0.057 0.000 1.708 47 F HN 0.434 nan 8.300 nan 0.000 0.298 48 M N 0.966 120.626 119.600 0.101 0.000 2.444 48 M HA 0.432 4.919 4.480 0.011 0.000 0.319 48 M C -1.918 174.408 176.300 0.044 0.000 1.183 48 M CA -1.969 53.372 55.300 0.068 0.000 1.032 48 M CB 0.355 32.981 32.600 0.044 0.000 1.569 48 M HN -0.347 nan 8.290 nan 0.000 0.468 49 P HA 0.110 nan 4.420 nan 0.000 0.267 49 P C -2.410 174.918 177.300 0.046 0.000 1.200 49 P CA -0.508 62.624 63.100 0.054 0.000 0.772 49 P CB -0.629 31.111 31.700 0.067 0.000 0.855 50 P HA 0.133 nan 4.420 nan 0.000 0.275 50 P C -0.559 176.772 177.300 0.052 0.000 1.228 50 P CA 0.112 63.235 63.100 0.039 0.000 0.786 50 P CB 0.981 32.724 31.700 0.071 0.000 0.927 51 E N 2.980 123.196 120.200 0.028 0.000 2.214 51 E HA 0.378 4.735 4.350 0.011 0.000 0.274 51 E C -2.303 174.329 176.600 0.054 0.000 0.977 51 E CA -2.331 54.095 56.400 0.044 0.000 0.827 51 E CB 0.458 30.176 29.700 0.030 0.000 1.130 51 E HN 0.348 nan 8.360 nan 0.000 0.394 52 P HA -0.046 nan 4.420 nan 0.000 0.266 52 P C -0.571 176.792 177.300 0.105 0.000 1.195 52 P CA -0.170 63.007 63.100 0.128 0.000 0.768 52 P CB 0.411 32.194 31.700 0.138 0.000 0.838 53 K N 3.576 124.058 120.400 0.137 0.000 2.451 53 K HA 0.029 4.356 4.320 0.011 0.000 0.280 53 K C 0.075 176.777 176.600 0.170 0.000 1.020 53 K CA 0.427 56.800 56.287 0.142 0.000 1.008 53 K CB 0.138 32.761 32.500 0.206 0.000 0.917 53 K HN 0.278 nan 8.250 nan 0.000 0.478 54 R N 5.220 125.806 120.500 0.143 0.000 2.490 54 R HA 0.176 4.522 4.340 0.011 0.000 0.280 54 R C -1.991 174.405 176.300 0.161 0.000 1.077 54 R CA -1.717 54.454 56.100 0.119 0.000 1.065 54 R CB 0.166 30.519 30.300 0.089 0.000 1.003 54 R HN 0.603 nan 8.270 nan 0.000 0.470 55 P HA -0.099 nan 4.420 nan 0.000 0.266 55 P C -1.027 176.307 177.300 0.056 0.000 1.193 55 P CA 0.195 63.237 63.100 -0.096 0.000 0.770 55 P CB 0.302 31.904 31.700 -0.163 0.000 0.836 56 W N 0.794 122.130 121.300 0.060 0.000 2.804 56 W HA 0.720 5.387 4.660 0.011 0.000 0.352 56 W C -0.855 175.692 176.519 0.046 0.000 1.153 56 W CA -0.968 56.409 57.345 0.053 0.000 1.119 56 W CB 0.056 29.556 29.460 0.066 0.000 1.448 56 W HN 0.382 nan 8.180 nan 0.000 0.600 57 S N 1.003 116.891 115.700 0.314 0.000 2.537 57 S HA 0.875 5.351 4.470 0.011 0.000 0.301 57 S C 0.159 174.927 174.600 0.280 0.000 1.092 57 S CA -0.130 58.183 58.200 0.188 0.000 1.048 57 S CB 1.052 64.318 63.200 0.112 0.000 1.053 57 S HN 2.209 nan 8.310 nan 0.000 0.501 58 G N 0.196 109.115 108.800 0.198 0.000 2.760 58 G HA2 -0.087 3.880 3.960 0.011 0.000 0.246 58 G HA3 -0.087 3.880 3.960 0.011 0.000 0.246 58 G C -0.836 174.226 174.900 0.270 0.000 1.359 58 G CA -0.493 44.717 45.100 0.184 0.000 0.861 58 G HN 1.634 nan 8.290 nan 0.000 0.541 59 V N 0.941 120.972 119.914 0.194 0.000 2.368 59 V HA 0.481 4.608 4.120 0.011 0.000 0.266 59 V C 1.030 177.218 176.094 0.158 0.000 1.045 59 V CA -0.167 62.258 62.300 0.207 0.000 0.899 59 V CB 1.029 32.932 31.823 0.133 0.000 1.006 59 V HN 0.828 nan 8.190 nan 0.000 0.470 60 L N 4.707 126.037 121.223 0.178 0.000 2.410 60 L HA 0.273 4.619 4.340 0.011 0.000 0.273 60 L C 0.648 177.505 176.870 -0.022 0.000 1.144 60 L CA 0.186 54.977 54.840 -0.081 0.000 0.863 60 L CB 0.578 42.344 42.059 -0.488 0.000 1.140 60 L HN 0.679 nan 8.230 nan 0.000 0.463 61 D N 4.855 125.217 120.400 -0.064 0.000 2.339 61 D HA 0.175 4.822 4.640 0.011 0.000 0.256 61 D C -0.450 175.800 176.300 -0.082 0.000 1.214 61 D CA 0.120 54.086 54.000 -0.056 0.000 0.877 61 D CB 1.385 42.142 40.800 -0.072 0.000 1.111 61 D HN 0.683 nan 8.370 nan 0.000 0.478 62 A N 3.126 125.914 122.820 -0.053 0.000 3.105 62 A HA 0.221 4.548 4.320 0.011 0.000 0.297 62 A C 0.850 178.331 177.584 -0.171 0.000 0.977 62 A CA -0.446 51.552 52.037 -0.065 0.000 1.020 62 A CB -0.027 19.036 19.000 0.105 0.000 1.098 62 A HN 0.550 nan 8.150 nan 0.000 0.497 63 T N -3.315 111.119 114.554 -0.199 0.000 3.010 63 T HA 0.276 4.632 4.350 0.011 0.000 0.257 63 T C 0.665 175.195 174.700 -0.284 0.000 1.020 63 T CA 0.763 62.716 62.100 -0.245 0.000 0.938 63 T CB -0.134 68.625 68.868 -0.182 0.000 1.049 63 T HN 0.707 nan 8.240 nan 0.000 0.522 64 T N -0.372 114.012 114.554 -0.283 0.000 2.903 64 T HA 0.706 5.063 4.350 0.011 0.000 0.299 64 T C -0.754 173.764 174.700 -0.304 0.000 1.093 64 T CA -0.883 61.043 62.100 -0.290 0.000 1.002 64 T CB 1.081 69.850 68.868 -0.165 0.000 1.127 64 T HN 0.001 nan 8.240 nan 0.000 0.488 65 F N 1.984 121.860 119.950 -0.123 0.000 2.563 65 F HA 0.296 4.829 4.527 0.011 0.000 0.363 65 F C 1.479 177.174 175.800 -0.176 0.000 1.123 65 F CA -0.059 57.870 58.000 -0.119 0.000 1.307 65 F CB 0.450 39.408 39.000 -0.071 0.000 1.115 65 F HN 0.473 nan 8.300 nan 0.000 0.592 66 Q N 1.370 121.163 119.800 -0.013 0.000 2.162 66 Q HA 0.219 4.566 4.340 0.011 0.000 0.197 66 Q C -0.207 175.714 176.000 -0.132 0.000 1.013 66 Q CA -0.849 54.797 55.803 -0.262 0.000 1.040 66 Q CB 0.620 28.881 28.738 -0.796 0.000 1.114 66 Q HN 0.514 nan 8.270 nan 0.000 0.547 67 N N -0.087 118.508 118.700 -0.174 0.000 2.345 67 N HA -0.022 4.725 4.740 0.011 0.000 0.243 67 N C -0.510 174.980 175.510 -0.033 0.000 1.246 67 N CA 0.210 53.209 53.050 -0.085 0.000 0.863 67 N CB 0.291 38.745 38.487 -0.055 0.000 1.096 67 N HN 0.178 nan 8.380 nan 0.000 0.446 68 V N 1.717 121.580 119.914 -0.084 0.000 2.607 68 V HA 0.090 4.216 4.120 0.011 0.000 0.289 68 V C 0.670 176.705 176.094 -0.099 0.000 1.053 68 V CA -0.834 61.407 62.300 -0.099 0.000 0.996 68 V CB 1.022 32.751 31.823 -0.158 0.000 0.995 68 V HN 0.700 nan 8.190 nan 0.000 0.476 69 c N 3.948 122.512 118.600 -0.060 0.000 2.662 69 c HA 0.157 4.733 4.570 0.011 0.000 0.420 69 c C 0.498 174.541 174.090 -0.078 0.000 1.314 69 c CA -0.664 55.635 56.329 -0.050 0.000 1.963 69 c CB -1.007 41.509 42.510 0.010 0.000 2.686 69 c HN 0.751 nan 8.230 nan 0.000 0.609 70 Y N 3.473 123.635 120.300 -0.230 0.000 2.717 70 Y HA 0.203 4.759 4.550 0.011 0.000 0.330 70 Y C 0.905 176.813 175.900 0.015 0.000 1.217 70 Y CA 1.057 59.019 58.100 -0.230 0.000 1.506 70 Y CB 0.184 38.276 38.460 -0.613 0.000 1.268 70 Y HN 0.743 nan 8.280 nan 0.000 0.561 71 Q N 3.652 123.612 119.800 0.267 0.000 2.578 71 Q HA 0.194 4.540 4.340 0.011 0.000 0.284 71 Q C -1.924 174.309 176.000 0.388 0.000 0.960 71 Q CA -1.193 54.834 55.803 0.372 0.000 0.809 71 Q CB 1.108 29.978 28.738 0.220 0.000 1.462 71 Q HN 0.663 nan 8.270 nan 0.000 0.392 72 Y N 1.301 121.861 120.300 0.432 0.000 2.544 72 Y HA 0.323 4.880 4.550 0.011 0.000 0.330 72 Y C -0.823 175.283 175.900 0.343 0.000 1.136 72 Y CA 0.178 58.539 58.100 0.436 0.000 1.417 72 Y CB 0.851 39.703 38.460 0.654 0.000 1.229 72 Y HN 0.445 nan 8.280 nan 0.000 0.532 73 V N 6.852 126.544 119.914 -0.370 0.000 2.394 73 V HA 0.085 4.211 4.120 0.011 0.000 0.282 73 V C -0.310 175.519 176.094 -0.441 0.000 1.031 73 V CA -0.935 61.207 62.300 -0.263 0.000 0.881 73 V CB 1.332 33.051 31.823 -0.174 0.000 0.982 73 V HN 0.727 nan 8.190 nan 0.000 0.451 74 D N 3.760 124.115 120.400 -0.076 0.000 2.417 74 D HA 0.133 4.780 4.640 0.011 0.000 0.250 74 D C 0.949 177.287 176.300 0.062 0.000 1.166 74 D CA 0.321 54.385 54.000 0.106 0.000 0.881 74 D CB 1.388 42.363 40.800 0.291 0.000 1.164 74 D HN 0.729 nan 8.370 nan 0.000 0.467 75 T N 1.326 115.917 114.554 0.062 0.000 3.231 75 T HA 0.047 4.404 4.350 0.011 0.000 0.292 75 T C 1.597 176.303 174.700 0.009 0.000 1.001 75 T CA -0.475 61.648 62.100 0.038 0.000 0.920 75 T CB -0.116 68.752 68.868 0.001 0.000 1.140 75 T HN 0.231 nan 8.240 nan 0.000 0.525 76 L N 1.081 122.298 121.223 -0.010 0.000 1.997 76 L HA 0.032 4.379 4.340 0.011 0.000 0.216 76 L C -0.032 176.559 176.870 -0.465 0.000 1.074 76 L CA 1.836 56.497 54.840 -0.298 0.000 0.763 76 L CB -0.501 41.263 42.059 -0.490 0.000 0.890 76 L HN 0.468 nan 8.230 nan 0.000 0.434 77 Y N 0.290 120.626 120.300 0.060 0.000 2.747 77 Y HA 0.402 4.959 4.550 0.011 0.000 0.362 77 Y C -2.162 173.789 175.900 0.086 0.000 1.026 77 Y CA -3.521 54.592 58.100 0.022 0.000 1.135 77 Y CB -0.393 38.028 38.460 -0.064 0.000 1.175 77 Y HN 0.148 nan 8.280 nan 0.000 0.643 78 P HA 0.171 nan 4.420 nan 0.000 0.271 78 P C 1.030 178.394 177.300 0.107 0.000 1.216 78 P CA 0.994 64.159 63.100 0.109 0.000 0.771 78 P CB 1.437 33.169 31.700 0.053 0.000 0.864 79 G N 2.080 110.928 108.800 0.079 0.000 2.199 79 G HA2 -0.277 3.689 3.960 0.011 0.000 0.254 79 G HA3 -0.277 3.689 3.960 0.011 0.000 0.254 79 G C -0.250 174.694 174.900 0.073 0.000 0.982 79 G CA -0.146 44.985 45.100 0.051 0.000 0.632 79 G HN 0.570 nan 8.290 nan 0.000 0.529 80 F N 2.251 122.163 119.950 -0.064 0.000 2.411 80 F HA 0.628 5.162 4.527 0.011 0.000 0.355 80 F C 1.260 176.960 175.800 -0.166 0.000 1.117 80 F CA -0.790 57.123 58.000 -0.144 0.000 1.139 80 F CB 1.139 40.032 39.000 -0.179 0.000 1.120 80 F HN 0.062 nan 8.300 nan 0.000 0.493 81 E N 3.803 123.565 120.200 -0.730 0.000 2.171 81 E HA -0.177 4.180 4.350 0.011 0.000 0.197 81 E C 2.000 178.114 176.600 -0.811 0.000 0.997 81 E CA 1.440 57.444 56.400 -0.661 0.000 0.810 81 E CB -0.170 29.209 29.700 -0.535 0.000 0.738 81 E HN 1.021 nan 8.360 nan 0.000 0.467 82 G N 0.076 107.896 108.800 -1.635 0.000 2.432 82 G HA2 -0.278 3.689 3.960 0.011 0.000 0.219 82 G HA3 -0.278 3.689 3.960 0.011 0.000 0.219 82 G C 1.652 176.576 174.900 0.040 0.000 1.135 82 G CA 1.700 46.163 45.100 -1.062 0.000 0.767 82 G HN 0.453 nan 8.290 nan 0.000 0.550 83 T N -1.847 112.746 114.554 0.065 0.000 3.033 83 T HA 0.140 4.497 4.350 0.011 0.000 0.248 83 T C 1.894 176.716 174.700 0.203 0.000 1.040 83 T CA 0.697 63.062 62.100 0.443 0.000 1.133 83 T CB 0.058 69.257 68.868 0.552 0.000 0.895 83 T HN 0.135 nan 8.240 nan 0.000 0.465 84 E N 2.115 122.312 120.200 -0.006 0.000 2.274 84 E HA -0.038 4.319 4.350 0.011 0.000 0.194 84 E C 2.211 178.701 176.600 -0.184 0.000 0.996 84 E CA 1.025 57.385 56.400 -0.067 0.000 0.840 84 E CB -0.435 29.206 29.700 -0.097 0.000 0.772 84 E HN 0.784 nan 8.360 nan 0.000 0.491 85 M N -2.181 117.219 119.600 -0.333 0.000 2.358 85 M HA -0.082 4.405 4.480 0.011 0.000 0.264 85 M C 1.285 177.173 176.300 -0.687 0.000 1.064 85 M CA 1.440 56.401 55.300 -0.566 0.000 1.093 85 M CB -0.530 31.625 32.600 -0.743 0.000 1.401 85 M HN -0.006 nan 8.290 nan 0.000 0.440 86 W N 0.804 121.996 121.300 -0.179 0.000 3.114 86 W HA 0.278 4.944 4.660 0.011 0.000 0.279 86 W C 0.501 176.909 176.519 -0.184 0.000 1.277 86 W CA -0.880 56.343 57.345 -0.203 0.000 1.630 86 W CB -0.207 29.158 29.460 -0.159 0.000 1.087 86 W HN 0.116 nan 8.180 nan 0.000 0.637 87 N N 1.379 120.081 118.700 0.003 0.000 2.467 87 N HA 0.142 4.888 4.740 0.011 0.000 0.262 87 N C -2.423 173.018 175.510 -0.114 0.000 1.234 87 N CA -1.601 51.429 53.050 -0.032 0.000 0.952 87 N CB -0.133 38.339 38.487 -0.024 0.000 1.158 87 N HN -0.337 nan 8.380 nan 0.000 0.463 88 P HA 0.063 nan 4.420 nan 0.000 0.265 88 P C 0.139 177.343 177.300 -0.159 0.000 1.193 88 P CA 0.087 63.091 63.100 -0.160 0.000 0.765 88 P CB 0.325 31.931 31.700 -0.157 0.000 0.823 89 N N 2.059 120.651 118.700 -0.181 0.000 2.177 89 N HA 0.066 4.813 4.740 0.011 0.000 0.218 89 N C 0.087 175.517 175.510 -0.132 0.000 1.182 89 N CA -0.023 52.929 53.050 -0.163 0.000 0.882 89 N CB 0.477 38.846 38.487 -0.197 0.000 1.052 89 N HN 0.158 nan 8.380 nan 0.000 0.519 90 R N 0.191 120.611 120.500 -0.134 0.000 2.905 90 R HA 0.298 4.645 4.340 0.011 0.000 0.260 90 R C -0.467 175.758 176.300 -0.124 0.000 1.086 90 R CA -0.731 55.306 56.100 -0.106 0.000 0.978 90 R CB 0.585 30.835 30.300 -0.084 0.000 1.215 90 R HN 0.263 nan 8.270 nan 0.000 0.480 91 E N 1.422 121.553 120.200 -0.114 0.000 2.452 91 E HA 0.003 4.360 4.350 0.011 0.000 0.261 91 E C -0.528 175.966 176.600 -0.176 0.000 0.987 91 E CA -0.061 56.260 56.400 -0.132 0.000 0.926 91 E CB 0.520 30.158 29.700 -0.103 0.000 0.934 91 E HN 0.275 nan 8.360 nan 0.000 0.452 92 L N 3.663 124.728 121.223 -0.263 0.000 2.367 92 L HA 0.226 4.573 4.340 0.011 0.000 0.275 92 L C 0.342 177.008 176.870 -0.340 0.000 1.129 92 L CA -0.005 54.576 54.840 -0.432 0.000 0.839 92 L CB 1.031 42.588 42.059 -0.838 0.000 1.133 92 L HN 0.455 nan 8.230 nan 0.000 0.453 93 S N 1.224 116.809 115.700 -0.192 0.000 2.565 93 S HA 0.226 4.703 4.470 0.011 0.000 0.269 93 S C 0.306 174.917 174.600 0.017 0.000 1.153 93 S CA -0.646 57.560 58.200 0.009 0.000 0.835 93 S CB 1.762 64.959 63.200 -0.005 0.000 1.122 93 S HN 0.733 nan 8.310 nan 0.000 0.462 94 E N 0.693 120.895 120.200 0.003 0.000 2.347 94 E HA -0.045 4.312 4.350 0.011 0.000 0.196 94 E C -0.381 176.174 176.600 -0.074 0.000 1.008 94 E CA 0.418 56.740 56.400 -0.130 0.000 0.852 94 E CB 0.137 29.724 29.700 -0.189 0.000 0.783 94 E HN 0.498 nan 8.360 nan 0.000 0.505 95 D N 0.348 120.738 120.400 -0.017 0.000 2.483 95 D HA -0.003 4.644 4.640 0.011 0.000 0.220 95 D C 0.075 176.460 176.300 0.140 0.000 1.173 95 D CA -0.262 53.752 54.000 0.025 0.000 0.964 95 D CB 0.022 40.854 40.800 0.055 0.000 1.046 95 D HN 0.137 nan 8.370 nan 0.000 0.517 96 c N 2.402 121.042 118.600 0.067 0.000 3.911 96 c HA 0.379 4.956 4.570 0.011 0.000 0.318 96 c C 0.621 174.768 174.090 0.094 0.000 1.643 96 c CA -0.645 55.787 56.329 0.171 0.000 1.845 96 c CB -1.171 41.377 42.510 0.063 0.000 2.981 96 c HN 0.428 nan 8.230 nan 0.000 0.656 97 L N 2.585 123.600 121.223 -0.345 0.000 2.387 97 L HA 0.417 4.764 4.340 0.011 0.000 0.267 97 L C -0.976 175.275 176.870 -1.031 0.000 1.197 97 L CA 0.434 54.870 54.840 -0.673 0.000 1.070 97 L CB -0.614 40.914 42.059 -0.885 0.000 1.349 97 L HN 0.378 nan 8.230 nan 0.000 0.422 98 Y N 2.024 122.312 120.300 -0.019 0.000 2.545 98 Y HA 0.650 5.207 4.550 0.011 0.000 0.348 98 Y C -0.060 176.038 175.900 0.329 0.000 1.002 98 Y CA -1.196 56.971 58.100 0.111 0.000 1.039 98 Y CB 2.051 40.524 38.460 0.022 0.000 1.271 98 Y HN 0.219 nan 8.280 nan 0.000 0.467 99 L N -0.206 121.204 121.223 0.312 0.000 2.303 99 L HA 0.790 5.136 4.340 0.011 0.000 0.256 99 L C -1.309 175.557 176.870 -0.006 0.000 1.034 99 L CA -1.109 53.785 54.840 0.090 0.000 0.832 99 L CB 1.797 43.724 42.059 -0.220 0.000 1.403 99 L HN 0.464 nan 8.230 nan 0.000 0.419 100 N N -0.004 118.693 118.700 -0.006 0.000 2.240 100 N HA 0.758 5.505 4.740 0.011 0.000 0.302 100 N C -1.560 173.858 175.510 -0.154 0.000 1.106 100 N CA -0.414 52.559 53.050 -0.128 0.000 0.778 100 N CB 2.863 41.318 38.487 -0.053 0.000 1.431 100 N HN 0.518 nan 8.380 nan 0.000 0.479 101 V N 1.393 121.131 119.914 -0.294 0.000 2.623 101 V HA 0.451 4.578 4.120 0.011 0.000 0.304 101 V C -0.867 175.151 176.094 -0.125 0.000 1.054 101 V CA -0.815 61.403 62.300 -0.136 0.000 0.882 101 V CB 2.181 33.789 31.823 -0.359 0.000 1.002 101 V HN 0.544 nan 8.190 nan 0.000 0.424 102 W N 2.818 124.205 121.300 0.144 0.000 2.606 102 W HA 0.720 5.387 4.660 0.012 0.000 0.332 102 W C 0.174 176.798 176.519 0.174 0.000 1.052 102 W CA -0.446 56.995 57.345 0.160 0.000 1.223 102 W CB 2.454 31.988 29.460 0.122 0.000 1.383 102 W HN 0.652 nan 8.180 nan 0.000 0.524 103 T N -0.184 114.620 114.554 0.417 0.000 2.883 103 T HA 0.483 4.839 4.350 0.011 0.000 0.301 103 T C -2.884 171.991 174.700 0.292 0.000 1.158 103 T CA -2.358 59.940 62.100 0.330 0.000 1.007 103 T CB 2.167 71.245 68.868 0.349 0.000 1.186 103 T HN -0.089 nan 8.240 nan 0.000 0.499 104 P HA 0.185 nan 4.420 nan 0.000 0.268 104 P C -1.545 175.902 177.300 0.245 0.000 1.208 104 P CA -0.103 63.119 63.100 0.202 0.000 0.777 104 P CB 0.074 31.860 31.700 0.144 0.000 0.875 105 Y N 3.360 123.719 120.300 0.097 0.000 2.326 105 Y HA 0.427 4.983 4.550 0.011 0.000 0.331 105 Y C -2.163 173.773 175.900 0.060 0.000 0.962 105 Y CA -2.569 55.581 58.100 0.083 0.000 1.167 105 Y CB 1.164 39.663 38.460 0.065 0.000 1.148 105 Y HN 0.340 nan 8.280 nan 0.000 0.463 106 P HA 0.210 nan 4.420 nan 0.000 0.274 106 P C -0.892 176.375 177.300 -0.055 0.000 1.237 106 P CA -0.348 62.587 63.100 -0.275 0.000 0.793 106 P CB 1.040 32.599 31.700 -0.234 0.000 0.977 107 R N 1.526 122.003 120.500 -0.039 0.000 2.640 107 R HA 0.125 4.471 4.340 0.011 0.000 0.270 107 R C -1.622 174.699 176.300 0.035 0.000 1.024 107 R CA -0.932 55.199 56.100 0.050 0.000 1.085 107 R CB -0.649 29.689 30.300 0.063 0.000 0.963 107 R HN 0.476 nan 8.270 nan 0.000 0.426 108 P HA -0.063 nan 4.420 nan 0.000 0.266 108 P C -0.137 177.179 177.300 0.026 0.000 1.195 108 P CA 0.188 63.316 63.100 0.046 0.000 0.768 108 P CB 0.802 32.539 31.700 0.061 0.000 0.838 109 A N 3.363 126.193 122.820 0.017 0.000 1.858 109 A HA -0.053 4.274 4.320 0.011 0.000 0.216 109 A C 1.181 178.769 177.584 0.007 0.000 1.190 109 A CA 1.684 53.725 52.037 0.007 0.000 0.617 109 A CB -1.101 17.902 19.000 0.005 0.000 0.827 109 A HN 0.721 nan 8.150 nan 0.000 0.443 110 S N -0.390 115.318 115.700 0.012 0.000 2.608 110 S HA 0.596 5.073 4.470 0.011 0.000 0.291 110 S C -2.993 171.618 174.600 0.019 0.000 1.146 110 S CA -1.810 56.396 58.200 0.010 0.000 1.043 110 S CB 0.953 64.157 63.200 0.007 0.000 1.037 110 S HN 0.086 nan 8.310 nan 0.000 0.520 111 P HA 0.184 nan 4.420 nan 0.000 0.262 111 P C -0.630 176.688 177.300 0.030 0.000 1.182 111 P CA 0.236 63.351 63.100 0.025 0.000 0.761 111 P CB 0.162 31.870 31.700 0.013 0.000 0.795 112 T N 5.041 119.625 114.554 0.049 0.000 2.823 112 T HA 0.400 4.756 4.350 0.011 0.000 0.279 112 T C -2.470 172.265 174.700 0.059 0.000 0.998 112 T CA -1.872 60.259 62.100 0.052 0.000 0.994 112 T CB 0.926 69.837 68.868 0.071 0.000 0.960 112 T HN 0.146 nan 8.240 nan 0.000 0.448 113 P HA 0.060 nan 4.420 nan 0.000 0.261 113 P C -0.874 176.473 177.300 0.079 0.000 1.165 113 P CA 0.036 63.166 63.100 0.049 0.000 0.759 113 P CB 0.297 32.010 31.700 0.021 0.000 0.772 114 V N 5.686 125.663 119.914 0.104 0.000 2.483 114 V HA 0.352 4.479 4.120 0.011 0.000 0.295 114 V C 0.344 176.526 176.094 0.147 0.000 1.035 114 V CA -0.453 61.930 62.300 0.137 0.000 0.896 114 V CB 1.388 33.304 31.823 0.155 0.000 0.986 114 V HN 0.345 nan 8.190 nan 0.000 0.447 115 L N 5.616 126.944 121.223 0.174 0.000 2.333 115 L HA 0.602 4.949 4.340 0.011 0.000 0.280 115 L C -0.686 176.418 176.870 0.390 0.000 1.004 115 L CA -0.222 54.749 54.840 0.217 0.000 0.820 115 L CB 1.767 43.858 42.059 0.053 0.000 1.247 115 L HN 0.495 nan 8.230 nan 0.000 0.416 116 I N 2.894 123.724 120.570 0.434 0.000 2.355 116 I HA 0.205 4.382 4.170 0.011 0.000 0.288 116 I C -0.652 175.738 176.117 0.455 0.000 0.999 116 I CA -0.435 61.093 61.300 0.381 0.000 1.163 116 I CB 1.272 39.379 38.000 0.178 0.000 1.316 116 I HN 0.629 nan 8.210 nan 0.000 0.454 117 W N 8.445 129.836 121.300 0.152 0.000 2.316 117 W HA 0.545 5.211 4.660 0.010 0.000 0.311 117 W C -1.423 175.001 176.519 -0.159 0.000 1.217 117 W CA -0.575 56.637 57.345 -0.221 0.000 1.199 117 W CB 1.142 30.497 29.460 -0.174 0.000 1.202 117 W HN 0.361 nan 8.180 nan 0.000 0.528 118 I N 9.037 129.005 120.570 -1.002 0.000 2.420 118 I HA 0.072 4.249 4.170 0.011 0.000 0.282 118 I C -0.251 175.046 176.117 -1.368 0.000 1.019 118 I CA -1.117 59.641 61.300 -0.904 0.000 1.130 118 I CB 0.660 38.299 38.000 -0.601 0.000 1.262 118 I HN 0.304 nan 8.210 nan 0.000 0.454 119 Y N 4.551 124.312 120.300 -0.899 0.000 2.426 119 Y HA 0.653 5.209 4.550 0.011 0.000 0.344 119 Y C 0.788 176.500 175.900 -0.315 0.000 1.256 119 Y CA -0.665 57.040 58.100 -0.658 0.000 1.451 119 Y CB -0.013 38.306 38.460 -0.236 0.000 1.342 119 Y HN 0.521 nan 8.280 nan 0.000 0.600 120 G N -0.836 107.977 108.800 0.022 0.000 2.606 120 G HA2 0.489 4.456 3.960 0.011 0.000 0.262 120 G HA3 0.489 4.456 3.960 0.011 0.000 0.262 120 G C 0.290 175.195 174.900 0.008 0.000 1.394 120 G CA -0.945 44.121 45.100 -0.056 0.000 1.044 120 G HN 1.743 nan 8.290 nan 0.000 0.553 121 G N -2.769 105.900 108.800 -0.219 0.000 2.188 121 G HA2 0.395 4.362 3.960 0.011 0.000 0.112 121 G HA3 0.395 4.362 3.960 0.011 0.000 0.112 121 G C 1.069 175.650 174.900 -0.532 0.000 1.048 121 G CA 0.698 45.587 45.100 -0.353 0.000 0.720 121 G HN 2.361 nan 8.290 nan 0.000 0.487 122 G N -0.613 107.783 108.800 -0.674 0.000 2.203 122 G HA2 -0.113 3.853 3.960 0.011 0.000 0.263 122 G HA3 -0.113 3.853 3.960 0.011 0.000 0.263 122 G C 0.896 175.519 174.900 -0.462 0.000 1.012 122 G CA 0.785 45.130 45.100 -1.258 0.000 0.749 122 G HN 1.806 nan 8.290 nan 0.000 0.512 123 F N -3.274 116.577 119.950 -0.167 0.000 2.973 123 F HA -0.312 4.222 4.527 0.011 0.000 0.299 123 F C 1.422 177.349 175.800 0.212 0.000 0.737 123 F CA 2.222 60.229 58.000 0.012 0.000 1.151 123 F CB -2.035 36.807 39.000 -0.263 0.000 1.440 123 F HN 0.961 nan 8.300 nan 0.000 0.367 124 Y N -1.023 119.409 120.300 0.221 0.000 2.471 124 Y HA 0.631 5.188 4.550 0.011 0.000 0.249 124 Y C 0.562 176.627 175.900 0.275 0.000 1.116 124 Y CA 0.380 58.645 58.100 0.276 0.000 1.240 124 Y CB 0.126 38.734 38.460 0.246 0.000 1.251 124 Y HN 0.081 nan 8.280 nan 0.000 0.527 125 S N -0.778 114.710 115.700 -0.354 0.000 2.672 125 S HA 0.864 5.341 4.470 0.011 0.000 0.271 125 S C -0.166 174.293 174.600 -0.236 0.000 1.171 125 S CA -0.507 57.485 58.200 -0.346 0.000 0.817 125 S CB 1.425 64.214 63.200 -0.686 0.000 1.150 125 S HN 1.379 nan 8.310 nan 0.000 0.478 126 G N -0.678 107.936 108.800 -0.310 0.000 2.440 126 G HA2 0.546 4.513 3.960 0.011 0.000 0.684 126 G HA3 0.546 4.513 3.960 0.011 0.000 0.684 126 G C -0.662 173.626 174.900 -1.021 0.000 1.309 126 G CA -0.249 44.499 45.100 -0.587 0.000 0.931 126 G HN 2.255 nan 8.290 nan 0.000 0.612 127 A N -1.154 120.897 122.820 -1.282 0.000 2.594 127 A HA 0.994 5.321 4.320 0.011 0.000 0.296 127 A C 0.565 177.916 177.584 -0.388 0.000 1.056 127 A CA 0.672 52.206 52.037 -0.837 0.000 0.693 127 A CB 0.873 19.639 19.000 -0.391 0.000 1.278 127 A HN 2.588 nan 8.150 nan 0.000 0.408 128 A N 0.441 123.278 122.820 0.028 0.000 2.208 128 A HA 0.255 4.582 4.320 0.011 0.000 0.209 128 A C 1.709 179.332 177.584 0.065 0.000 1.161 128 A CA 1.767 53.999 52.037 0.325 0.000 0.782 128 A CB -0.563 18.703 19.000 0.443 0.000 0.816 128 A HN 1.804 nan 8.150 nan 0.000 0.477 129 S N -0.421 115.076 115.700 -0.339 0.000 2.593 129 S HA 0.294 4.771 4.470 0.011 0.000 0.217 129 S C 0.555 174.710 174.600 -0.743 0.000 0.966 129 S CA -0.433 57.106 58.200 -1.101 0.000 0.914 129 S CB -0.595 61.965 63.200 -1.066 0.000 0.776 129 S HN 0.396 nan 8.310 nan 0.000 0.523 130 L N 2.108 123.052 121.223 -0.464 0.000 2.483 130 L HA 0.163 4.510 4.340 0.011 0.000 0.275 130 L C 1.208 177.744 176.870 -0.557 0.000 1.220 130 L CA -0.469 54.043 54.840 -0.546 0.000 0.833 130 L CB 0.170 41.793 42.059 -0.727 0.000 1.102 130 L HN 0.051 nan 8.230 nan 0.000 0.490 131 D N 0.902 121.008 120.400 -0.490 0.000 2.182 131 D HA -0.135 4.512 4.640 0.011 0.000 0.201 131 D C 1.976 177.995 176.300 -0.468 0.000 0.986 131 D CA 1.259 55.035 54.000 -0.373 0.000 0.847 131 D CB -0.000 40.619 40.800 -0.301 0.000 0.942 131 D HN 0.522 nan 8.370 nan 0.000 0.467 132 V N -1.369 118.116 119.914 -0.716 0.000 3.141 132 V HA -0.142 3.985 4.120 0.011 0.000 0.265 132 V C 1.099 176.613 176.094 -0.967 0.000 1.126 132 V CA 0.978 62.823 62.300 -0.759 0.000 1.141 132 V CB -1.129 30.202 31.823 -0.819 0.000 0.743 132 V HN 0.062 nan 8.190 nan 0.000 0.492 133 Y N 0.244 119.986 120.300 -0.930 0.000 2.571 133 Y HA 0.443 4.999 4.550 0.011 0.000 0.275 133 Y C 0.835 176.160 175.900 -0.958 0.000 1.179 133 Y CA -1.933 55.270 58.100 -1.496 0.000 1.242 133 Y CB -0.886 37.071 38.460 -0.838 0.000 1.126 133 Y HN 0.238 nan 8.280 nan 0.000 0.524 134 D N 0.821 120.932 120.400 -0.480 0.000 2.389 134 D HA 0.039 4.686 4.640 0.011 0.000 0.263 134 D C 1.427 177.428 176.300 -0.499 0.000 1.255 134 D CA 0.439 54.242 54.000 -0.330 0.000 0.914 134 D CB 1.207 41.956 40.800 -0.084 0.000 1.116 134 D HN 0.466 nan 8.370 nan 0.000 0.502 135 G N 3.945 111.843 108.800 -1.502 0.000 2.848 135 G HA2 -0.181 3.786 3.960 0.011 0.000 0.208 135 G HA3 -0.181 3.786 3.960 0.011 0.000 0.208 135 G C 1.474 175.791 174.900 -0.970 0.000 1.152 135 G CA 0.290 44.640 45.100 -1.250 0.000 0.789 135 G HN 0.621 nan 8.290 nan 0.000 0.531 136 R N -0.756 119.147 120.500 -0.996 0.000 2.115 136 R HA 0.037 4.384 4.340 0.011 0.000 0.230 136 R C 1.677 177.692 176.300 -0.475 0.000 1.111 136 R CA 1.120 56.867 56.100 -0.588 0.000 0.976 136 R CB -0.608 29.368 30.300 -0.540 0.000 0.870 136 R HN 0.320 nan 8.270 nan 0.000 0.445 137 F N 1.437 121.298 119.950 -0.148 0.000 2.128 137 F HA 0.072 4.606 4.527 0.012 0.000 0.295 137 F C 2.266 178.010 175.800 -0.093 0.000 1.100 137 F CA 0.712 58.650 58.000 -0.102 0.000 1.260 137 F CB -0.515 38.416 39.000 -0.116 0.000 1.009 137 F HN -0.141 nan 8.300 nan 0.000 0.476 138 L N -0.080 121.172 121.223 0.048 0.000 2.046 138 L HA -0.214 4.133 4.340 0.011 0.000 0.208 138 L C 2.728 179.604 176.870 0.010 0.000 1.077 138 L CA 1.179 56.008 54.840 -0.018 0.000 0.747 138 L CB -0.920 41.077 42.059 -0.104 0.000 0.896 138 L HN 0.192 nan 8.230 nan 0.000 0.432 139 A N -1.022 121.809 122.820 0.019 0.000 1.877 139 A HA -0.239 4.088 4.320 0.011 0.000 0.216 139 A C 2.284 179.913 177.584 0.074 0.000 1.186 139 A CA 1.529 53.616 52.037 0.084 0.000 0.620 139 A CB -0.478 18.623 19.000 0.168 0.000 0.822 139 A HN 0.386 nan 8.150 nan 0.000 0.443 140 Q N -0.180 119.645 119.800 0.041 0.000 2.049 140 Q HA -0.067 4.280 4.340 0.011 0.000 0.198 140 Q C 2.166 178.195 176.000 0.049 0.000 0.971 140 Q CA 1.957 57.788 55.803 0.046 0.000 0.833 140 Q CB -0.220 28.525 28.738 0.012 0.000 0.896 140 Q HN 0.415 nan 8.270 nan 0.000 0.434 141 V N 1.133 121.075 119.914 0.047 0.000 2.535 141 V HA -0.090 4.037 4.120 0.011 0.000 0.246 141 V C 1.641 177.751 176.094 0.027 0.000 1.045 141 V CA 1.405 63.728 62.300 0.039 0.000 1.058 141 V CB -0.094 31.752 31.823 0.039 0.000 0.689 141 V HN 0.221 nan 8.190 nan 0.000 0.461 142 E N -0.218 119.996 120.200 0.024 0.000 2.481 142 E HA 0.212 4.568 4.350 0.011 0.000 0.198 142 E C 1.687 178.305 176.600 0.031 0.000 1.027 142 E CA 0.715 57.125 56.400 0.018 0.000 0.900 142 E CB 0.592 30.293 29.700 0.002 0.000 0.993 142 E HN 0.573 nan 8.360 nan 0.000 0.482 143 G N 1.745 110.574 108.800 0.047 0.000 2.168 143 G HA2 -0.317 3.649 3.960 0.011 0.000 0.257 143 G HA3 -0.317 3.649 3.960 0.011 0.000 0.257 143 G C 0.512 175.455 174.900 0.072 0.000 0.997 143 G CA 0.411 45.548 45.100 0.062 0.000 0.708 143 G HN 0.479 nan 8.290 nan 0.000 0.520 144 A N -0.727 122.134 122.820 0.069 0.000 2.351 144 A HA 0.712 5.039 4.320 0.011 0.000 0.257 144 A C 0.538 178.202 177.584 0.132 0.000 1.087 144 A CA 0.081 52.165 52.037 0.079 0.000 0.798 144 A CB 1.154 20.181 19.000 0.046 0.000 1.033 144 A HN 1.117 nan 8.150 nan 0.000 0.488 145 V N 2.863 122.864 119.914 0.145 0.000 2.406 145 V HA 0.344 4.471 4.120 0.011 0.000 0.272 145 V C -0.026 176.199 176.094 0.218 0.000 1.043 145 V CA -0.043 62.372 62.300 0.192 0.000 0.915 145 V CB 0.689 32.617 31.823 0.174 0.000 0.988 145 V HN 0.719 nan 8.190 nan 0.000 0.466 146 L N 6.159 127.565 121.223 0.305 0.000 2.341 146 L HA 0.760 5.107 4.340 0.011 0.000 0.278 146 L C -0.884 176.269 176.870 0.470 0.000 1.005 146 L CA -0.316 54.751 54.840 0.379 0.000 0.818 146 L CB 1.927 44.202 42.059 0.360 0.000 1.259 146 L HN 0.442 nan 8.230 nan 0.000 0.418 147 V N 3.079 123.246 119.914 0.420 0.000 2.656 147 V HA 0.694 4.821 4.120 0.011 0.000 0.307 147 V C -0.480 175.856 176.094 0.404 0.000 1.051 147 V CA -0.438 62.065 62.300 0.338 0.000 0.893 147 V CB 1.990 33.938 31.823 0.210 0.000 0.999 147 V HN 0.850 nan 8.190 nan 0.000 0.426 148 S N 5.168 121.106 115.700 0.396 0.000 2.549 148 S HA 0.913 5.389 4.470 0.011 0.000 0.280 148 S C -0.855 173.894 174.600 0.248 0.000 1.109 148 S CA -0.816 57.619 58.200 0.391 0.000 0.905 148 S CB 2.406 65.963 63.200 0.596 0.000 1.081 148 S HN 0.913 nan 8.310 nan 0.000 0.477 149 M N 1.365 121.085 119.600 0.201 0.000 2.518 149 M HA 0.627 5.113 4.480 0.011 0.000 0.300 149 M C -1.947 174.565 176.300 0.354 0.000 1.175 149 M CA -0.550 54.853 55.300 0.171 0.000 0.890 149 M CB 1.388 33.910 32.600 -0.129 0.000 1.710 149 M HN 0.563 nan 8.290 nan 0.000 0.453 150 N N 3.140 122.109 118.700 0.449 0.000 2.514 150 N HA 0.541 5.288 4.740 0.011 0.000 0.277 150 N C -1.401 174.386 175.510 0.463 0.000 1.126 150 N CA 0.159 53.485 53.050 0.460 0.000 0.978 150 N CB 0.448 39.142 38.487 0.345 0.000 1.106 150 N HN 0.699 nan 8.380 nan 0.000 0.461 151 Y N -1.541 118.928 120.300 0.281 0.000 2.512 151 Y HA 0.576 5.132 4.550 0.011 0.000 0.348 151 Y C 0.065 176.104 175.900 0.233 0.000 0.990 151 Y CA -1.358 56.867 58.100 0.208 0.000 1.033 151 Y CB 0.933 39.452 38.460 0.098 0.000 1.259 151 Y HN 0.199 nan 8.280 nan 0.000 0.461 152 R N 1.876 122.530 120.500 0.257 0.000 2.570 152 R HA 0.450 4.796 4.340 0.011 0.000 0.277 152 R C -0.298 176.180 176.300 0.297 0.000 1.039 152 R CA -0.038 56.172 56.100 0.184 0.000 1.065 152 R CB 0.693 31.064 30.300 0.118 0.000 0.964 152 R HN 0.729 nan 8.270 nan 0.000 0.428 153 V N -0.398 119.720 119.914 0.339 0.000 3.158 153 V HA 0.886 5.013 4.120 0.011 0.000 0.315 153 V C 0.714 177.137 176.094 0.548 0.000 1.148 153 V CA -0.168 62.447 62.300 0.525 0.000 1.042 153 V CB 1.195 33.238 31.823 0.367 0.000 1.101 153 V HN 0.978 nan 8.190 nan 0.000 0.448 154 G N 1.643 110.798 108.800 0.592 0.000 2.575 154 G HA2 -0.274 3.693 3.960 0.011 0.000 0.267 154 G HA3 -0.274 3.693 3.960 0.011 0.000 0.267 154 G C 1.000 176.026 174.900 0.209 0.000 1.264 154 G CA 1.395 46.761 45.100 0.444 0.000 0.935 154 G HN 2.371 nan 8.290 nan 0.000 0.568 155 T N -1.747 112.650 114.554 -0.262 0.000 2.759 155 T HA -0.102 4.255 4.350 0.011 0.000 0.269 155 T C 2.126 176.668 174.700 -0.264 0.000 1.042 155 T CA 2.606 64.306 62.100 -0.667 0.000 1.140 155 T CB -0.410 67.918 68.868 -0.900 0.000 0.864 155 T HN 0.600 nan 8.240 nan 0.000 0.455 156 F N 2.098 122.096 119.950 0.079 0.000 2.216 156 F HA 0.238 4.771 4.527 0.011 0.000 0.300 156 F C 2.761 178.561 175.800 0.001 0.000 1.085 156 F CA 0.764 58.784 58.000 0.033 0.000 1.326 156 F CB -0.867 38.122 39.000 -0.017 0.000 1.027 156 F HN 0.368 nan 8.300 nan 0.000 0.497 157 G N -2.002 106.870 108.800 0.121 0.000 2.662 157 G HA2 0.013 3.980 3.960 0.011 0.000 0.212 157 G HA3 0.013 3.980 3.960 0.011 0.000 0.212 157 G C 0.905 175.310 174.900 -0.826 0.000 1.141 157 G CA 0.270 45.186 45.100 -0.307 0.000 0.797 157 G HN 0.343 nan 8.290 nan 0.000 0.531 158 F N -0.735 119.286 119.950 0.118 0.000 2.915 158 F HA 0.425 4.959 4.527 0.012 0.000 0.347 158 F C 0.467 176.316 175.800 0.082 0.000 1.104 158 F CA -1.017 57.032 58.000 0.080 0.000 1.126 158 F CB 0.356 39.415 39.000 0.099 0.000 1.145 158 F HN -0.088 nan 8.300 nan 0.000 0.541 159 L N 2.154 123.388 121.223 0.018 0.000 2.462 159 L HA 0.542 4.888 4.340 0.011 0.000 0.272 159 L C -0.078 176.730 176.870 -0.102 0.000 1.166 159 L CA 0.001 54.755 54.840 -0.143 0.000 0.880 159 L CB 0.402 42.092 42.059 -0.615 0.000 1.142 159 L HN 0.113 nan 8.230 nan 0.000 0.473 160 A N 6.317 129.128 122.820 -0.014 0.000 2.398 160 A HA 0.654 4.980 4.320 0.011 0.000 0.301 160 A C -1.064 176.490 177.584 -0.050 0.000 1.041 160 A CA -0.594 51.423 52.037 -0.033 0.000 0.711 160 A CB 1.278 20.293 19.000 0.024 0.000 1.240 160 A HN 0.719 nan 8.150 nan 0.000 0.420 161 L N 3.474 124.654 121.223 -0.073 0.000 2.371 161 L HA 0.318 4.665 4.340 0.011 0.000 0.262 161 L C -2.424 174.430 176.870 -0.027 0.000 1.054 161 L CA -1.738 53.072 54.840 -0.051 0.000 0.924 161 L CB 1.274 43.291 42.059 -0.071 0.000 1.295 161 L HN 0.401 nan 8.230 nan 0.000 0.441 162 P HA 0.083 nan 4.420 nan 0.000 0.264 162 P C 0.970 178.269 177.300 -0.002 0.000 1.193 162 P CA 0.713 63.812 63.100 -0.002 0.000 0.763 162 P CB 0.985 32.684 31.700 -0.000 0.000 0.810 163 G N 1.873 110.676 108.800 0.005 0.000 2.234 163 G HA2 -0.237 3.730 3.960 0.011 0.000 0.235 163 G HA3 -0.237 3.730 3.960 0.011 0.000 0.235 163 G C 0.424 175.327 174.900 0.005 0.000 0.997 163 G CA 0.217 45.320 45.100 0.005 0.000 0.623 163 G HN 0.789 nan 8.290 nan 0.000 0.514 164 S N -0.172 115.529 115.700 0.001 0.000 2.614 164 S HA 0.602 5.079 4.470 0.011 0.000 0.265 164 S C 1.192 175.799 174.600 0.012 0.000 1.303 164 S CA 0.448 58.649 58.200 0.001 0.000 1.000 164 S CB 1.948 65.141 63.200 -0.011 0.000 0.935 164 S HN 0.448 nan 8.310 nan 0.000 0.551 165 R N 0.110 120.619 120.500 0.015 0.000 2.173 165 R HA 0.078 4.424 4.340 0.011 0.000 0.208 165 R C 0.949 177.269 176.300 0.033 0.000 1.035 165 R CA 0.945 57.060 56.100 0.024 0.000 1.004 165 R CB -0.102 30.212 30.300 0.023 0.000 0.917 165 R HN 0.820 nan 8.270 nan 0.000 0.462 166 E N -0.914 119.306 120.200 0.033 0.000 2.452 166 E HA 0.170 4.527 4.350 0.011 0.000 0.197 166 E C -0.347 176.300 176.600 0.077 0.000 1.022 166 E CA 0.344 56.778 56.400 0.057 0.000 0.890 166 E CB 1.482 31.214 29.700 0.054 0.000 0.918 166 E HN 0.213 nan 8.360 nan 0.000 0.496 167 A N 1.153 123.989 122.820 0.026 0.000 3.422 167 A HA 0.271 4.597 4.320 0.011 0.000 0.271 167 A C -2.218 175.360 177.584 -0.010 0.000 1.104 167 A CA -0.871 51.163 52.037 -0.004 0.000 0.899 167 A CB 0.445 19.348 19.000 -0.162 0.000 1.309 167 A HN -0.085 nan 8.150 nan 0.000 0.580 168 P HA 0.160 nan 4.420 nan 0.000 0.229 168 P C 0.910 178.222 177.300 0.021 0.000 1.160 168 P CA 1.759 64.872 63.100 0.023 0.000 0.777 168 P CB 0.211 31.935 31.700 0.040 0.000 0.814 169 G N 0.635 109.443 108.800 0.013 0.000 2.699 169 G HA2 -0.159 3.808 3.960 0.011 0.000 0.686 169 G HA3 -0.159 3.808 3.960 0.011 0.000 0.686 169 G C -0.158 174.735 174.900 -0.012 0.000 1.301 169 G CA -0.312 44.796 45.100 0.014 0.000 0.816 169 G HN 0.115 nan 8.290 nan 0.000 0.595 170 N N -2.369 116.315 118.700 -0.027 0.000 2.753 170 N HA -0.276 4.471 4.740 0.011 0.000 0.251 170 N C 1.862 177.231 175.510 -0.234 0.000 1.097 170 N CA 2.399 55.376 53.050 -0.122 0.000 0.786 170 N CB -1.671 36.692 38.487 -0.208 0.000 1.137 170 N HN 1.924 nan 8.380 nan 0.000 0.566 171 V N -2.780 116.990 119.914 -0.240 0.000 2.626 171 V HA 0.027 4.154 4.120 0.011 0.000 0.252 171 V C 2.284 178.263 176.094 -0.192 0.000 1.067 171 V CA 2.230 64.441 62.300 -0.148 0.000 1.081 171 V CB -0.816 30.966 31.823 -0.069 0.000 0.686 171 V HN 0.272 nan 8.190 nan 0.000 0.468 172 G N 0.426 108.930 108.800 -0.493 0.000 2.408 172 G HA2 -0.127 3.839 3.960 0.011 0.000 0.217 172 G HA3 -0.127 3.839 3.960 0.011 0.000 0.217 172 G C 1.544 176.431 174.900 -0.023 0.000 1.150 172 G CA 1.082 46.032 45.100 -0.250 0.000 0.776 172 G HN 0.531 nan 8.290 nan 0.000 0.542 173 L N -0.132 121.021 121.223 -0.117 0.000 2.093 173 L HA 0.045 4.391 4.340 0.011 0.000 0.208 173 L C 2.808 179.718 176.870 0.066 0.000 1.085 173 L CA 0.455 55.189 54.840 -0.177 0.000 0.755 173 L CB -0.276 41.327 42.059 -0.760 0.000 0.904 173 L HN 0.196 nan 8.230 nan 0.000 0.435 174 L N -0.661 120.611 121.223 0.082 0.000 2.156 174 L HA -0.178 4.168 4.340 0.011 0.000 0.208 174 L C 2.135 179.134 176.870 0.214 0.000 1.095 174 L CA 0.733 55.707 54.840 0.223 0.000 0.770 174 L CB -0.567 41.596 42.059 0.173 0.000 0.914 174 L HN 0.276 nan 8.230 nan 0.000 0.439 175 D N 0.004 120.521 120.400 0.195 0.000 2.117 175 D HA -0.198 4.448 4.640 0.011 0.000 0.197 175 D C 2.252 178.716 176.300 0.273 0.000 0.987 175 D CA 1.152 55.348 54.000 0.326 0.000 0.829 175 D CB -0.169 40.842 40.800 0.351 0.000 0.961 175 D HN 0.388 nan 8.370 nan 0.000 0.460 176 Q N 0.163 120.053 119.800 0.150 0.000 2.050 176 Q HA -0.131 4.216 4.340 0.011 0.000 0.202 176 Q C 2.305 178.294 176.000 -0.018 0.000 0.980 176 Q CA 1.054 56.864 55.803 0.012 0.000 0.840 176 Q CB -0.062 28.689 28.738 0.022 0.000 0.898 176 Q HN 0.194 nan 8.270 nan 0.000 0.424 177 R N 0.537 121.125 120.500 0.146 0.000 2.081 177 R HA -0.178 4.168 4.340 0.011 0.000 0.235 177 R C 2.206 178.555 176.300 0.083 0.000 1.131 177 R CA 1.059 57.227 56.100 0.113 0.000 0.960 177 R CB -0.239 30.230 30.300 0.283 0.000 0.856 177 R HN 0.213 nan 8.270 nan 0.000 0.436 178 L N 0.791 122.102 121.223 0.146 0.000 2.083 178 L HA -0.061 4.286 4.340 0.011 0.000 0.209 178 L C 2.262 179.187 176.870 0.090 0.000 1.083 178 L CA 2.112 57.068 54.840 0.193 0.000 0.752 178 L CB -0.677 41.590 42.059 0.346 0.000 0.899 178 L HN 0.272 nan 8.230 nan 0.000 0.433 179 A N -0.687 121.990 122.820 -0.239 0.000 1.933 179 A HA -0.139 4.188 4.320 0.011 0.000 0.218 179 A C 2.203 179.726 177.584 -0.101 0.000 1.175 179 A CA 1.749 53.475 52.037 -0.518 0.000 0.628 179 A CB -0.771 17.671 19.000 -0.931 0.000 0.814 179 A HN 0.502 nan 8.150 nan 0.000 0.444 180 L N -1.017 120.163 121.223 -0.072 0.000 2.093 180 L HA -0.237 4.109 4.340 0.011 0.000 0.208 180 L C 2.770 179.688 176.870 0.080 0.000 1.085 180 L CA 1.515 56.352 54.840 -0.005 0.000 0.755 180 L CB -0.835 41.177 42.059 -0.077 0.000 0.904 180 L HN 0.504 nan 8.230 nan 0.000 0.435 181 Q N -0.942 118.919 119.800 0.100 0.000 2.119 181 Q HA -0.240 4.106 4.340 0.011 0.000 0.201 181 Q C 2.059 178.156 176.000 0.161 0.000 0.972 181 Q CA 1.790 57.663 55.803 0.116 0.000 0.847 181 Q CB -0.268 28.543 28.738 0.120 0.000 0.903 181 Q HN 0.541 nan 8.270 nan 0.000 0.433 182 W N 0.586 121.902 121.300 0.027 0.000 2.342 182 W HA -0.222 4.445 4.660 0.011 0.000 0.297 182 W C 1.812 178.361 176.519 0.049 0.000 1.213 182 W CA 1.246 58.624 57.345 0.055 0.000 1.251 182 W CB 0.007 29.503 29.460 0.060 0.000 1.136 182 W HN -0.146 nan 8.180 nan 0.000 0.526 183 V N 0.758 120.900 119.914 0.382 0.000 2.358 183 V HA -0.310 3.817 4.120 0.011 0.000 0.246 183 V C 2.528 178.650 176.094 0.048 0.000 1.047 183 V CA 1.897 64.344 62.300 0.246 0.000 1.035 183 V CB -0.903 31.070 31.823 0.251 0.000 0.658 183 V HN 0.176 nan 8.190 nan 0.000 0.452 184 Q N -0.036 119.794 119.800 0.050 0.000 2.061 184 Q HA -0.279 4.068 4.340 0.011 0.000 0.204 184 Q C 2.244 178.217 176.000 -0.045 0.000 0.984 184 Q CA 2.302 58.117 55.803 0.019 0.000 0.846 184 Q CB -0.284 28.473 28.738 0.031 0.000 0.902 184 Q HN 0.832 nan 8.270 nan 0.000 0.421 185 E N -0.352 119.784 120.200 -0.107 0.000 2.170 185 E HA -0.070 4.287 4.350 0.011 0.000 0.191 185 E C 1.144 177.591 176.600 -0.254 0.000 0.981 185 E CA 0.731 57.035 56.400 -0.159 0.000 0.830 185 E CB 0.300 29.907 29.700 -0.156 0.000 0.775 185 E HN 0.256 nan 8.360 nan 0.000 0.470 186 N N -0.162 118.286 118.700 -0.419 0.000 2.257 186 N HA 0.010 4.757 4.740 0.011 0.000 0.200 186 N C 1.334 176.708 175.510 -0.227 0.000 1.163 186 N CA 0.049 52.785 53.050 -0.524 0.000 0.891 186 N CB 0.399 38.156 38.487 -1.217 0.000 1.067 186 N HN 0.145 nan 8.380 nan 0.000 0.497 187 I N 2.264 122.776 120.570 -0.097 0.000 2.493 187 I HA -0.046 4.131 4.170 0.011 0.000 0.254 187 I C 2.106 178.332 176.117 0.182 0.000 1.160 187 I CA 0.477 61.867 61.300 0.150 0.000 1.445 187 I CB -0.239 37.840 38.000 0.133 0.000 1.086 187 I HN 0.037 nan 8.210 nan 0.000 0.433 188 A N 0.306 123.157 122.820 0.053 0.000 2.019 188 A HA -0.116 4.210 4.320 0.011 0.000 0.219 188 A C 2.464 180.035 177.584 -0.022 0.000 1.164 188 A CA 1.500 53.550 52.037 0.021 0.000 0.644 188 A CB -1.040 17.948 19.000 -0.019 0.000 0.805 188 A HN 0.462 nan 8.150 nan 0.000 0.449 189 A N -1.600 121.162 122.820 -0.097 0.000 2.070 189 A HA 0.058 4.384 4.320 0.011 0.000 0.220 189 A C 1.489 178.827 177.584 -0.409 0.000 1.159 189 A CA 1.180 53.038 52.037 -0.299 0.000 0.656 189 A CB -0.611 18.094 19.000 -0.492 0.000 0.800 189 A HN 0.515 nan 8.150 nan 0.000 0.453 190 F N -1.524 118.373 119.950 -0.089 0.000 2.678 190 F HA 0.386 4.919 4.527 0.011 0.000 0.305 190 F C 1.748 177.548 175.800 0.000 0.000 1.090 190 F CA 0.527 58.486 58.000 -0.068 0.000 1.272 190 F CB 0.445 39.416 39.000 -0.049 0.000 1.060 190 F HN 0.318 nan 8.300 nan 0.000 0.576 191 G N 0.419 109.293 108.800 0.123 0.000 2.179 191 G HA2 -0.218 3.749 3.960 0.011 0.000 0.260 191 G HA3 -0.218 3.749 3.960 0.011 0.000 0.260 191 G C 0.709 175.674 174.900 0.109 0.000 0.977 191 G CA -0.178 44.978 45.100 0.094 0.000 0.641 191 G HN 0.711 nan 8.290 nan 0.000 0.533 192 G N -0.541 108.346 108.800 0.145 0.000 2.539 192 G HA2 0.460 4.426 3.960 0.011 0.000 0.258 192 G HA3 0.460 4.426 3.960 0.011 0.000 0.258 192 G C -0.674 174.279 174.900 0.087 0.000 1.202 192 G CA 0.360 45.534 45.100 0.124 0.000 0.851 192 G HN 0.235 nan 8.290 nan 0.000 0.556 193 D N 1.144 121.590 120.400 0.077 0.000 2.412 193 D HA 0.291 4.938 4.640 0.011 0.000 0.224 193 D C -1.230 175.118 176.300 0.080 0.000 1.093 193 D CA -2.353 51.681 54.000 0.056 0.000 0.850 193 D CB 2.000 42.820 40.800 0.033 0.000 1.046 193 D HN 0.045 nan 8.370 nan 0.000 0.507 194 P HA -0.057 nan 4.420 nan 0.000 0.230 194 P C 1.140 178.557 177.300 0.196 0.000 1.158 194 P CA 0.572 63.742 63.100 0.116 0.000 0.769 194 P CB 0.191 31.934 31.700 0.073 0.000 0.807 195 M N -1.291 118.365 119.600 0.094 0.000 2.561 195 M HA 0.113 4.600 4.480 0.011 0.000 0.238 195 M C 0.695 176.801 176.300 -0.323 0.000 1.131 195 M CA 0.616 55.877 55.300 -0.065 0.000 1.046 195 M CB -0.177 32.339 32.600 -0.141 0.000 1.532 195 M HN -0.122 nan 8.290 nan 0.000 0.497 196 S N 1.122 116.843 115.700 0.036 0.000 2.312 196 S HA 0.447 4.924 4.470 0.011 0.000 0.173 196 S C -1.114 173.621 174.600 0.224 0.000 1.488 196 S CA -0.411 57.838 58.200 0.083 0.000 1.239 196 S CB 0.520 63.706 63.200 -0.023 0.000 1.215 196 S HN 0.017 nan 8.310 nan 0.000 0.438 197 V N 3.944 124.102 119.914 0.407 0.000 2.444 197 V HA 0.544 4.671 4.120 0.011 0.000 0.294 197 V C -0.055 176.188 176.094 0.248 0.000 1.022 197 V CA -0.426 62.029 62.300 0.258 0.000 0.850 197 V CB 1.904 33.848 31.823 0.202 0.000 0.992 197 V HN 0.719 nan 8.190 nan 0.000 0.426 198 T N 6.684 121.361 114.554 0.204 0.000 2.770 198 T HA 0.585 4.942 4.350 0.011 0.000 0.283 198 T C -0.225 174.620 174.700 0.243 0.000 0.988 198 T CA -0.320 61.911 62.100 0.218 0.000 0.957 198 T CB 0.785 69.741 68.868 0.146 0.000 0.930 198 T HN 0.350 nan 8.240 nan 0.000 0.443 199 L N 5.020 126.360 121.223 0.195 0.000 2.326 199 L HA 0.668 5.015 4.340 0.011 0.000 0.278 199 L C -0.330 176.747 176.870 0.346 0.000 1.092 199 L CA -0.812 54.113 54.840 0.141 0.000 0.810 199 L CB 0.234 42.167 42.059 -0.210 0.000 1.153 199 L HN 0.609 nan 8.230 nan 0.000 0.439 200 F N 0.528 120.556 119.950 0.130 0.000 2.599 200 F HA 0.979 5.512 4.527 0.011 0.000 0.311 200 F C -0.265 175.559 175.800 0.039 0.000 1.076 200 F CA -1.447 56.681 58.000 0.212 0.000 0.937 200 F CB 1.687 40.945 39.000 0.430 0.000 1.282 200 F HN 0.482 nan 8.300 nan 0.000 0.460 201 G N 1.085 109.798 108.800 -0.146 0.000 2.601 201 G HA2 0.490 4.456 3.960 0.011 0.000 0.291 201 G HA3 0.490 4.456 3.960 0.011 0.000 0.291 201 G C -2.568 172.143 174.900 -0.314 0.000 1.456 201 G CA -0.790 43.842 45.100 -0.780 0.000 0.804 201 G HN 0.878 nan 8.290 nan 0.000 0.499 202 E N 0.315 120.271 120.200 -0.407 0.000 2.288 202 E HA 0.647 5.004 4.350 0.011 0.000 0.268 202 E C 0.610 177.175 176.600 -0.058 0.000 0.885 202 E CA 0.245 56.638 56.400 -0.010 0.000 0.767 202 E CB 2.244 32.087 29.700 0.239 0.000 1.220 202 E HN 0.859 nan 8.360 nan 0.000 0.427 203 S N 2.401 118.148 115.700 0.078 0.000 4.114 203 S HA -0.387 4.090 4.470 0.011 0.000 0.618 203 S C 1.425 176.127 174.600 0.169 0.000 1.937 203 S CA 2.008 60.324 58.200 0.192 0.000 4.228 203 S CB -1.589 61.645 63.200 0.057 0.000 0.216 203 S HN 0.959 nan 8.310 nan 0.000 0.528 204 A N 1.018 123.796 122.820 -0.069 0.000 2.070 204 A HA 0.177 4.503 4.320 0.011 0.000 0.220 204 A C 2.404 179.699 177.584 -0.482 0.000 1.159 204 A CA 2.328 54.107 52.037 -0.431 0.000 0.656 204 A CB -1.479 16.800 19.000 -1.202 0.000 0.800 204 A HN 1.519 nan 8.150 nan 0.000 0.453 205 G N -0.506 108.081 108.800 -0.355 0.000 2.402 205 G HA2 0.034 4.000 3.960 0.011 0.000 0.216 205 G HA3 0.034 4.000 3.960 0.011 0.000 0.216 205 G C 1.710 176.430 174.900 -0.300 0.000 1.162 205 G CA 1.235 46.080 45.100 -0.427 0.000 0.777 205 G HN 0.741 nan 8.290 nan 0.000 0.539 206 A N 1.168 123.889 122.820 -0.164 0.000 1.898 206 A HA 0.331 4.658 4.320 0.011 0.000 0.216 206 A C 2.802 180.368 177.584 -0.031 0.000 1.181 206 A CA 2.089 54.094 52.037 -0.053 0.000 0.620 206 A CB -0.749 18.284 19.000 0.056 0.000 0.819 206 A HN 0.735 nan 8.150 nan 0.000 0.442 207 A N -0.479 122.342 122.820 0.001 0.000 1.933 207 A HA -0.072 4.254 4.320 0.011 0.000 0.218 207 A C 2.429 180.009 177.584 -0.006 0.000 1.175 207 A CA 2.051 54.082 52.037 -0.011 0.000 0.628 207 A CB -0.846 18.161 19.000 0.013 0.000 0.814 207 A HN 0.442 nan 8.150 nan 0.000 0.444 208 S N -0.432 115.258 115.700 -0.018 0.000 2.359 208 S HA -0.149 4.328 4.470 0.011 0.000 0.224 208 S C 1.905 176.444 174.600 -0.102 0.000 1.035 208 S CA 1.473 59.621 58.200 -0.088 0.000 1.018 208 S CB -0.524 62.565 63.200 -0.185 0.000 0.876 208 S HN 0.353 nan 8.310 nan 0.000 0.448 209 V N 1.654 121.527 119.914 -0.067 0.000 2.332 209 V HA -0.182 3.945 4.120 0.011 0.000 0.248 209 V C 2.612 178.700 176.094 -0.010 0.000 1.055 209 V CA 1.995 64.271 62.300 -0.039 0.000 1.038 209 V CB -1.493 30.293 31.823 -0.062 0.000 0.651 209 V HN 0.602 nan 8.190 nan 0.000 0.450 210 G N -0.955 107.833 108.800 -0.020 0.000 2.422 210 G HA2 -0.280 3.686 3.960 0.011 0.000 0.218 210 G HA3 -0.280 3.686 3.960 0.011 0.000 0.218 210 G C 1.619 176.532 174.900 0.021 0.000 1.146 210 G CA 1.086 46.181 45.100 -0.007 0.000 0.769 210 G HN 0.449 nan 8.290 nan 0.000 0.547 211 M N -0.168 119.419 119.600 -0.021 0.000 2.229 211 M HA 0.009 4.495 4.480 0.011 0.000 0.264 211 M C 2.298 178.659 176.300 0.101 0.000 1.063 211 M CA 0.846 56.162 55.300 0.027 0.000 1.114 211 M CB -0.244 32.327 32.600 -0.049 0.000 1.387 211 M HN 0.209 nan 8.290 nan 0.000 0.420 212 H N -0.122 119.057 119.070 0.182 0.000 2.423 212 H HA -0.017 4.546 4.556 0.011 0.000 0.297 212 H C 2.097 177.608 175.328 0.305 0.000 1.075 212 H CA 1.387 57.545 56.048 0.184 0.000 1.342 212 H CB -0.340 29.401 29.762 -0.034 0.000 1.395 212 H HN 0.415 nan 8.280 nan 0.000 0.530 213 I N 0.617 121.421 120.570 0.391 0.000 2.286 213 I HA -0.227 3.950 4.170 0.011 0.000 0.248 213 I C 1.963 178.258 176.117 0.297 0.000 1.115 213 I CA 0.982 62.529 61.300 0.412 0.000 1.392 213 I CB -0.075 38.089 38.000 0.273 0.000 1.065 213 I HN 0.107 nan 8.210 nan 0.000 0.418 214 L N -0.842 120.511 121.223 0.217 0.000 2.591 214 L HA 0.082 4.428 4.340 0.011 0.000 0.228 214 L C 0.905 177.831 176.870 0.093 0.000 1.133 214 L CA 0.079 55.026 54.840 0.179 0.000 0.880 214 L CB -0.065 42.078 42.059 0.141 0.000 1.033 214 L HN 0.047 nan 8.230 nan 0.000 0.450 215 S N -0.235 115.494 115.700 0.049 0.000 2.530 215 S HA 0.307 4.784 4.470 0.011 0.000 0.322 215 S C 0.861 175.403 174.600 -0.097 0.000 1.085 215 S CA -0.613 57.507 58.200 -0.133 0.000 1.096 215 S CB 1.393 64.276 63.200 -0.527 0.000 0.988 215 S HN 0.183 nan 8.310 nan 0.000 0.466 216 L N 5.742 126.911 121.223 -0.091 0.000 2.012 216 L HA -0.012 4.334 4.340 0.011 0.000 0.210 216 L C -0.801 176.034 176.870 -0.059 0.000 1.073 216 L CA 1.595 56.400 54.840 -0.058 0.000 0.748 216 L CB -0.925 41.100 42.059 -0.058 0.000 0.891 216 L HN 0.532 nan 8.230 nan 0.000 0.431 217 P HA -0.119 nan 4.420 nan 0.000 0.219 217 P C 1.501 178.794 177.300 -0.011 0.000 1.146 217 P CA 1.207 64.272 63.100 -0.058 0.000 0.808 217 P CB 0.085 31.735 31.700 -0.083 0.000 0.779 218 S N -1.089 114.625 115.700 0.022 0.000 2.489 218 S HA 0.005 4.482 4.470 0.011 0.000 0.228 218 S C 1.812 176.536 174.600 0.208 0.000 0.995 218 S CA 0.471 58.775 58.200 0.173 0.000 0.934 218 S CB -0.353 63.076 63.200 0.381 0.000 0.771 218 S HN 0.073 nan 8.310 nan 0.000 0.522 219 R N 1.912 122.447 120.500 0.057 0.000 2.148 219 R HA 0.034 4.381 4.340 0.011 0.000 0.227 219 R C 2.319 178.452 176.300 -0.278 0.000 1.103 219 R CA 1.249 57.252 56.100 -0.162 0.000 0.983 219 R CB -1.095 29.136 30.300 -0.115 0.000 0.874 219 R HN 0.569 nan 8.270 nan 0.000 0.451 220 S N -0.086 115.537 115.700 -0.128 0.000 2.607 220 S HA 0.059 4.535 4.470 0.011 0.000 0.224 220 S C 1.693 176.222 174.600 -0.118 0.000 0.969 220 S CA 0.307 58.439 58.200 -0.115 0.000 0.927 220 S CB -0.172 63.001 63.200 -0.046 0.000 0.772 220 S HN 0.224 nan 8.310 nan 0.000 0.533 221 L N 0.311 121.491 121.223 -0.072 0.000 2.640 221 L HA 0.478 4.825 4.340 0.011 0.000 0.230 221 L C 0.072 176.955 176.870 0.022 0.000 1.123 221 L CA -0.337 54.507 54.840 0.008 0.000 0.900 221 L CB -0.149 41.960 42.059 0.084 0.000 1.146 221 L HN 0.502 nan 8.230 nan 0.000 0.484 222 F N -4.064 115.676 119.950 -0.350 0.000 2.741 222 F HA 0.486 5.019 4.527 0.010 0.000 0.313 222 F C 0.356 175.784 175.800 -0.621 0.000 1.153 222 F CA -1.007 56.727 58.000 -0.443 0.000 0.931 222 F CB 0.808 39.716 39.000 -0.155 0.000 1.335 222 F HN -0.164 nan 8.300 nan 0.000 0.460 223 H N -0.391 118.713 119.070 0.056 0.000 2.927 223 H HA 0.467 5.030 4.556 0.011 0.000 0.255 223 H C -0.040 175.307 175.328 0.030 0.000 0.974 223 H CA 0.088 56.100 56.048 -0.059 0.000 1.199 223 H CB 0.870 30.610 29.762 -0.036 0.000 1.447 223 H HN 0.472 nan 8.280 nan 0.000 0.467 224 R N -0.071 120.602 120.500 0.288 0.000 2.781 224 R HA 0.733 5.080 4.340 0.011 0.000 0.269 224 R C -1.408 175.157 176.300 0.442 0.000 1.025 224 R CA -0.716 55.548 56.100 0.275 0.000 0.914 224 R CB 2.839 33.129 30.300 -0.016 0.000 1.236 224 R HN 0.144 nan 8.270 nan 0.000 0.465 225 A N 0.811 123.913 122.820 0.469 0.000 2.547 225 A HA 0.643 4.970 4.320 0.011 0.000 0.297 225 A C -1.604 176.138 177.584 0.263 0.000 1.056 225 A CA -0.572 51.671 52.037 0.344 0.000 0.688 225 A CB 1.893 21.066 19.000 0.287 0.000 1.282 225 A HN 0.282 nan 8.150 nan 0.000 0.400 226 V N 2.058 122.088 119.914 0.193 0.000 2.531 226 V HA 0.545 4.672 4.120 0.011 0.000 0.301 226 V C -1.124 175.073 176.094 0.172 0.000 1.034 226 V CA -0.306 62.056 62.300 0.103 0.000 0.865 226 V CB 1.374 33.288 31.823 0.152 0.000 0.995 226 V HN 0.700 nan 8.190 nan 0.000 0.424 227 L N 5.162 126.460 121.223 0.125 0.000 2.345 227 L HA 0.523 4.870 4.340 0.011 0.000 0.274 227 L C -0.064 176.922 176.870 0.194 0.000 0.999 227 L CA 0.030 54.941 54.840 0.118 0.000 0.849 227 L CB 1.625 43.707 42.059 0.038 0.000 1.220 227 L HN 0.630 nan 8.230 nan 0.000 0.422 228 Q N 2.117 122.085 119.800 0.281 0.000 2.340 228 Q HA 0.455 4.802 4.340 0.011 0.000 0.259 228 Q C 0.134 176.298 176.000 0.273 0.000 0.964 228 Q CA -0.556 55.477 55.803 0.384 0.000 0.900 228 Q CB 1.362 30.421 28.738 0.536 0.000 1.228 228 Q HN 0.605 nan 8.270 nan 0.000 0.449 229 S N 0.969 116.816 115.700 0.245 0.000 3.682 229 S HA -0.148 4.328 4.470 0.011 0.000 0.354 229 S C 0.022 174.847 174.600 0.375 0.000 1.034 229 S CA 0.530 58.914 58.200 0.307 0.000 1.084 229 S CB -1.213 62.206 63.200 0.365 0.000 0.903 229 S HN 1.021 nan 8.310 nan 0.000 0.470 230 G N -0.517 108.444 108.800 0.269 0.000 2.519 230 G HA2 0.652 4.618 3.960 0.011 0.000 0.292 230 G HA3 0.652 4.618 3.960 0.011 0.000 0.292 230 G C -0.938 174.033 174.900 0.118 0.000 1.507 230 G CA 0.235 45.529 45.100 0.323 0.000 0.806 230 G HN 1.047 nan 8.290 nan 0.000 0.523 231 T N -1.602 112.960 114.554 0.013 0.000 2.853 231 T HA 0.745 5.101 4.350 0.011 0.000 0.311 231 T C -2.439 172.116 174.700 -0.242 0.000 1.307 231 T CA -1.168 60.862 62.100 -0.116 0.000 1.019 231 T CB 2.977 71.763 68.868 -0.137 0.000 1.264 231 T HN 0.322 nan 8.240 nan 0.000 0.497 232 P HA 0.021 nan 4.420 nan 0.000 0.224 232 P C 0.208 177.356 177.300 -0.254 0.000 1.157 232 P CA 0.514 63.490 63.100 -0.206 0.000 0.799 232 P CB -0.031 31.603 31.700 -0.110 0.000 0.809 233 N N 0.695 119.261 118.700 -0.223 0.000 2.381 233 N HA 0.308 5.055 4.740 0.011 0.000 0.254 233 N C 0.778 176.093 175.510 -0.325 0.000 1.264 233 N CA 0.590 53.509 53.050 -0.218 0.000 0.942 233 N CB 0.265 38.665 38.487 -0.145 0.000 1.190 233 N HN 0.195 nan 8.380 nan 0.000 0.495 234 G N -0.577 108.050 108.800 -0.289 0.000 2.592 234 G HA2 -0.122 3.844 3.960 0.011 0.000 0.684 234 G HA3 -0.122 3.844 3.960 0.011 0.000 0.684 234 G C -2.327 172.338 174.900 -0.391 0.000 1.291 234 G CA -0.227 44.656 45.100 -0.362 0.000 0.891 234 G HN 0.543 nan 8.290 nan 0.000 0.544 235 P HA 0.168 nan 4.420 nan 0.000 0.240 235 P C 1.382 178.611 177.300 -0.119 0.000 1.190 235 P CA 1.838 64.796 63.100 -0.236 0.000 0.781 235 P CB -0.035 31.481 31.700 -0.308 0.000 0.931 236 W N -1.929 119.281 121.300 -0.151 0.000 2.773 236 W HA 0.590 5.256 4.660 0.010 0.000 0.297 236 W C 0.885 177.485 176.519 0.135 0.000 1.050 236 W CA 0.424 57.769 57.345 0.000 0.000 1.467 236 W CB -0.656 28.850 29.460 0.076 0.000 0.977 236 W HN -0.175 nan 8.180 nan 0.000 0.573 237 A N 1.949 124.448 122.820 -0.536 0.000 2.123 237 A HA 0.174 4.500 4.320 0.011 0.000 0.214 237 A C 1.125 178.561 177.584 -0.248 0.000 1.152 237 A CA 1.742 53.531 52.037 -0.414 0.000 0.728 237 A CB -0.697 17.801 19.000 -0.836 0.000 0.814 237 A HN 0.221 nan 8.150 nan 0.000 0.464 238 T N -3.183 111.239 114.554 -0.220 0.000 2.865 238 T HA 0.635 4.992 4.350 0.011 0.000 0.294 238 T C -0.640 173.986 174.700 -0.123 0.000 1.119 238 T CA -0.113 61.873 62.100 -0.190 0.000 1.007 238 T CB 1.429 70.193 68.868 -0.173 0.000 1.225 238 T HN 0.884 nan 8.240 nan 0.000 0.515 239 V N -1.295 118.554 119.914 -0.108 0.000 3.040 239 V HA 0.888 5.015 4.120 0.011 0.000 0.312 239 V C 0.317 176.373 176.094 -0.064 0.000 1.115 239 V CA -0.817 61.436 62.300 -0.079 0.000 0.998 239 V CB 1.297 33.073 31.823 -0.078 0.000 1.042 239 V HN 1.398 nan 8.190 nan 0.000 0.433 240 S N 1.992 117.660 115.700 -0.053 0.000 2.589 240 S HA 0.528 5.004 4.470 0.011 0.000 0.265 240 S C 1.424 176.005 174.600 -0.032 0.000 1.342 240 S CA 0.182 58.359 58.200 -0.040 0.000 1.005 240 S CB 1.119 64.298 63.200 -0.035 0.000 0.909 240 S HN 2.000 nan 8.310 nan 0.000 0.555 241 A N 1.939 124.746 122.820 -0.023 0.000 1.902 241 A HA 0.134 4.461 4.320 0.011 0.000 0.217 241 A C 2.227 179.800 177.584 -0.018 0.000 1.181 241 A CA 1.657 53.685 52.037 -0.015 0.000 0.623 241 A CB -1.825 17.169 19.000 -0.009 0.000 0.818 241 A HN 1.162 nan 8.150 nan 0.000 0.443 242 G N -0.469 108.318 108.800 -0.021 0.000 2.418 242 G HA2 -0.236 3.731 3.960 0.011 0.000 0.217 242 G HA3 -0.236 3.731 3.960 0.011 0.000 0.217 242 G C 1.476 176.359 174.900 -0.028 0.000 1.158 242 G CA 1.370 46.457 45.100 -0.022 0.000 0.771 242 G HN 0.578 nan 8.290 nan 0.000 0.545 243 E N 0.901 121.079 120.200 -0.036 0.000 2.107 243 E HA 0.136 4.493 4.350 0.011 0.000 0.191 243 E C 2.607 179.172 176.600 -0.058 0.000 0.982 243 E CA 1.286 57.656 56.400 -0.049 0.000 0.809 243 E CB -0.476 29.190 29.700 -0.057 0.000 0.756 243 E HN 0.268 nan 8.360 nan 0.000 0.459 244 A N 0.893 123.687 122.820 -0.043 0.000 1.930 244 A HA -0.143 4.184 4.320 0.011 0.000 0.217 244 A C 2.271 179.855 177.584 -0.000 0.000 1.175 244 A CA 1.601 53.625 52.037 -0.023 0.000 0.627 244 A CB -0.586 18.417 19.000 0.004 0.000 0.815 244 A HN 0.270 nan 8.150 nan 0.000 0.443 245 R N -0.489 120.004 120.500 -0.010 0.000 2.083 245 R HA -0.147 4.199 4.340 0.011 0.000 0.237 245 R C 2.447 178.740 176.300 -0.012 0.000 1.137 245 R CA 1.694 57.787 56.100 -0.011 0.000 0.951 245 R CB -0.348 29.942 30.300 -0.016 0.000 0.851 245 R HN 0.476 nan 8.270 nan 0.000 0.434 246 R N 0.435 120.923 120.500 -0.021 0.000 2.091 246 R HA -0.131 4.216 4.340 0.011 0.000 0.238 246 R C 2.227 178.514 176.300 -0.022 0.000 1.136 246 R CA 1.806 57.892 56.100 -0.023 0.000 0.959 246 R CB -0.081 30.200 30.300 -0.032 0.000 0.856 246 R HN 0.310 nan 8.270 nan 0.000 0.437 247 R N -0.404 120.070 120.500 -0.042 0.000 2.090 247 R HA -0.022 4.324 4.340 0.011 0.000 0.228 247 R C 2.338 178.697 176.300 0.098 0.000 1.110 247 R CA 1.165 57.227 56.100 -0.064 0.000 0.973 247 R CB -0.276 29.853 30.300 -0.285 0.000 0.869 247 R HN 0.207 nan 8.270 nan 0.000 0.440 248 A N 0.636 123.541 122.820 0.141 0.000 1.902 248 A HA -0.195 4.132 4.320 0.011 0.000 0.217 248 A C 2.281 179.881 177.584 0.026 0.000 1.181 248 A CA 2.133 54.243 52.037 0.122 0.000 0.623 248 A CB -0.874 18.135 19.000 0.016 0.000 0.818 248 A HN 0.431 nan 8.150 nan 0.000 0.443 249 T N -1.823 112.735 114.554 0.006 0.000 2.985 249 T HA -0.048 4.309 4.350 0.011 0.000 0.266 249 T C 1.768 176.468 174.700 0.001 0.000 1.076 249 T CA 1.352 63.446 62.100 -0.011 0.000 1.135 249 T CB -0.337 68.520 68.868 -0.019 0.000 0.890 249 T HN 0.194 nan 8.240 nan 0.000 0.480 250 L N 0.886 122.119 121.223 0.016 0.000 2.027 250 L HA 0.230 4.577 4.340 0.011 0.000 0.206 250 L C 2.316 179.209 176.870 0.038 0.000 1.074 250 L CA 1.694 56.547 54.840 0.022 0.000 0.745 250 L CB -1.225 40.848 42.059 0.023 0.000 0.898 250 L HN 0.410 nan 8.230 nan 0.000 0.433 251 L N -0.285 120.986 121.223 0.080 0.000 2.042 251 L HA -0.166 4.181 4.340 0.011 0.000 0.210 251 L C 2.521 179.398 176.870 0.011 0.000 1.076 251 L CA 1.993 56.888 54.840 0.092 0.000 0.749 251 L CB -0.731 41.433 42.059 0.174 0.000 0.893 251 L HN 0.316 nan 8.230 nan 0.000 0.432 252 A N -0.211 122.600 122.820 -0.014 0.000 1.873 252 A HA -0.271 4.056 4.320 0.011 0.000 0.218 252 A C 2.383 179.944 177.584 -0.038 0.000 1.193 252 A CA 2.070 54.085 52.037 -0.037 0.000 0.629 252 A CB -0.699 18.273 19.000 -0.047 0.000 0.826 252 A HN 0.507 nan 8.150 nan 0.000 0.447 253 R N -0.651 119.831 120.500 -0.029 0.000 2.103 253 R HA -0.135 4.212 4.340 0.011 0.000 0.242 253 R C 2.040 178.302 176.300 -0.062 0.000 1.142 253 R CA 1.639 57.719 56.100 -0.034 0.000 0.960 253 R CB -0.653 29.635 30.300 -0.020 0.000 0.858 253 R HN 0.569 nan 8.270 nan 0.000 0.439 254 L N 0.735 121.908 121.223 -0.082 0.000 2.275 254 L HA -0.083 4.264 4.340 0.011 0.000 0.215 254 L C 1.985 178.646 176.870 -0.348 0.000 1.119 254 L CA 0.676 55.404 54.840 -0.187 0.000 0.790 254 L CB -0.173 41.791 42.059 -0.159 0.000 0.919 254 L HN 0.131 nan 8.230 nan 0.000 0.443 255 V N -3.956 115.824 119.914 -0.224 0.000 3.376 255 V HA 0.531 4.657 4.120 0.011 0.000 0.313 255 V C 1.030 177.083 176.094 -0.069 0.000 1.393 255 V CA 0.208 62.409 62.300 -0.164 0.000 1.125 255 V CB -0.167 31.615 31.823 -0.069 0.000 1.037 255 V HN 0.409 nan 8.190 nan 0.000 0.440 256 G N -0.303 108.459 108.800 -0.063 0.000 2.140 256 G HA2 -0.210 3.757 3.960 0.011 0.000 0.211 256 G HA3 -0.210 3.757 3.960 0.011 0.000 0.211 256 G C -0.078 174.811 174.900 -0.019 0.000 1.013 256 G CA -0.086 44.995 45.100 -0.032 0.000 0.705 256 G HN 0.708 nan 8.290 nan 0.000 0.508 257 c N 2.210 120.796 118.600 -0.023 0.000 2.621 257 c HA 0.513 5.090 4.570 0.011 0.000 0.272 257 c C -0.923 173.156 174.090 -0.018 0.000 1.119 257 c CA -1.450 54.870 56.329 -0.016 0.000 1.593 257 c CB 0.191 42.692 42.510 -0.015 0.000 1.749 257 c HN 0.532 nan 8.230 nan 0.000 0.420 265 N N 0.812 119.507 118.700 -0.007 0.000 2.483 265 N HA 0.416 5.163 4.740 0.011 0.000 0.285 265 N C 0.093 175.596 175.510 -0.011 0.000 1.210 265 N CA -0.792 52.253 53.050 -0.008 0.000 0.931 265 N CB 1.626 40.110 38.487 -0.004 0.000 1.220 265 N HN 0.105 nan 8.380 nan 0.000 0.542 266 D N -0.064 120.328 120.400 -0.013 0.000 2.117 266 D HA -0.087 4.560 4.640 0.011 0.000 0.198 266 D C 1.243 177.534 176.300 -0.015 0.000 0.982 266 D CA 1.650 55.637 54.000 -0.021 0.000 0.828 266 D CB -0.560 40.227 40.800 -0.022 0.000 0.967 266 D HN 0.673 nan 8.370 nan 0.000 0.464 267 T N 0.729 115.281 114.554 -0.003 0.000 2.665 267 T HA -0.210 4.146 4.350 0.011 0.000 0.268 267 T C 1.809 176.514 174.700 0.009 0.000 1.035 267 T CA 1.590 63.694 62.100 0.007 0.000 1.151 267 T CB -0.208 68.666 68.868 0.009 0.000 0.862 267 T HN 0.310 nan 8.240 nan 0.000 0.438 268 E N 0.363 120.565 120.200 0.004 0.000 2.106 268 E HA -0.069 4.288 4.350 0.011 0.000 0.192 268 E C 2.222 178.824 176.600 0.003 0.000 0.984 268 E CA 0.647 57.050 56.400 0.005 0.000 0.806 268 E CB -0.188 29.513 29.700 0.002 0.000 0.750 268 E HN 0.426 nan 8.360 nan 0.000 0.458 269 L N 0.464 121.682 121.223 -0.009 0.000 2.056 269 L HA -0.119 4.228 4.340 0.011 0.000 0.207 269 L C 2.195 179.053 176.870 -0.020 0.000 1.078 269 L CA 1.170 55.998 54.840 -0.020 0.000 0.749 269 L CB -0.068 41.968 42.059 -0.037 0.000 0.901 269 L HN 0.197 nan 8.230 nan 0.000 0.433 270 I N -0.487 120.073 120.570 -0.017 0.000 2.353 270 I HA -0.181 3.996 4.170 0.011 0.000 0.248 270 I C 2.644 178.818 176.117 0.095 0.000 1.119 270 I CA 0.923 62.230 61.300 0.011 0.000 1.417 270 I CB -0.485 37.516 38.000 0.002 0.000 1.078 270 I HN 0.283 nan 8.210 nan 0.000 0.421 271 A N -0.265 122.592 122.820 0.061 0.000 1.933 271 A HA -0.292 4.035 4.320 0.011 0.000 0.218 271 A C 2.510 180.128 177.584 0.058 0.000 1.175 271 A CA 1.965 54.038 52.037 0.060 0.000 0.628 271 A CB -1.318 17.703 19.000 0.037 0.000 0.814 271 A HN 0.619 nan 8.150 nan 0.000 0.444 272 c N -0.684 117.943 118.600 0.044 0.000 2.466 272 c HA 0.073 4.650 4.570 0.011 0.000 0.278 272 c C 2.562 176.686 174.090 0.056 0.000 1.288 272 c CA 0.946 57.298 56.329 0.037 0.000 1.722 272 c CB -1.541 40.980 42.510 0.019 0.000 2.017 272 c HN 0.581 nan 8.230 nan 0.000 0.488 273 L N 0.417 121.688 121.223 0.081 0.000 2.127 273 L HA -0.118 4.229 4.340 0.011 0.000 0.211 273 L C 2.972 179.955 176.870 0.190 0.000 1.089 273 L CA 1.506 56.429 54.840 0.139 0.000 0.757 273 L CB -0.611 41.542 42.059 0.158 0.000 0.899 273 L HN 0.362 nan 8.230 nan 0.000 0.434 274 R N -0.616 119.992 120.500 0.180 0.000 2.189 274 R HA -0.100 4.247 4.340 0.011 0.000 0.218 274 R C 2.177 178.493 176.300 0.028 0.000 1.074 274 R CA 1.611 57.754 56.100 0.071 0.000 0.991 274 R CB -0.329 30.006 30.300 0.059 0.000 0.883 274 R HN 0.496 nan 8.270 nan 0.000 0.457 275 T N -1.439 113.139 114.554 0.040 0.000 3.085 275 T HA 0.082 4.438 4.350 0.011 0.000 0.263 275 T C 0.927 175.642 174.700 0.025 0.000 1.127 275 T CA 0.058 62.173 62.100 0.025 0.000 1.103 275 T CB 0.117 69.000 68.868 0.025 0.000 0.921 275 T HN -0.130 nan 8.240 nan 0.000 0.510 276 R N 2.640 123.161 120.500 0.035 0.000 2.441 276 R HA 0.398 4.745 4.340 0.011 0.000 0.284 276 R C -2.709 173.606 176.300 0.024 0.000 1.070 276 R CA -2.593 53.529 56.100 0.037 0.000 1.047 276 R CB -0.041 30.290 30.300 0.050 0.000 1.016 276 R HN 0.244 nan 8.270 nan 0.000 0.477 277 P HA 0.006 nan 4.420 nan 0.000 0.266 277 P C 0.295 177.577 177.300 -0.031 0.000 1.195 277 P CA 0.162 63.257 63.100 -0.009 0.000 0.768 277 P CB 0.576 32.282 31.700 0.011 0.000 0.838 278 A N 2.805 125.539 122.820 -0.143 0.000 1.958 278 A HA -0.292 4.035 4.320 0.011 0.000 0.221 278 A C 2.142 179.614 177.584 -0.187 0.000 1.178 278 A CA 2.007 53.911 52.037 -0.222 0.000 0.642 278 A CB -1.175 17.246 19.000 -0.965 0.000 0.816 278 A HN 0.549 nan 8.150 nan 0.000 0.453 279 Q N -0.276 119.407 119.800 -0.194 0.000 2.224 279 Q HA -0.125 4.222 4.340 0.011 0.000 0.203 279 Q C 1.437 177.512 176.000 0.124 0.000 0.970 279 Q CA 1.630 57.469 55.803 0.061 0.000 0.865 279 Q CB -0.309 28.515 28.738 0.144 0.000 0.922 279 Q HN 0.605 nan 8.270 nan 0.000 0.445 280 D N -0.477 119.987 120.400 0.105 0.000 2.104 280 D HA -0.147 4.500 4.640 0.011 0.000 0.194 280 D C 1.695 178.123 176.300 0.214 0.000 0.994 280 D CA 1.065 55.167 54.000 0.170 0.000 0.830 280 D CB -0.062 40.827 40.800 0.148 0.000 0.959 280 D HN 0.310 nan 8.370 nan 0.000 0.452 281 L N -0.053 121.248 121.223 0.129 0.000 2.046 281 L HA -0.142 4.205 4.340 0.011 0.000 0.208 281 L C 2.567 179.497 176.870 0.099 0.000 1.077 281 L CA 0.588 55.462 54.840 0.057 0.000 0.747 281 L CB -0.478 41.485 42.059 -0.160 0.000 0.896 281 L HN -0.043 nan 8.230 nan 0.000 0.432 282 V N -0.171 119.856 119.914 0.189 0.000 2.407 282 V HA -0.270 3.856 4.120 0.011 0.000 0.248 282 V C 1.918 178.151 176.094 0.231 0.000 1.055 282 V CA 1.806 64.277 62.300 0.286 0.000 1.049 282 V CB -0.568 31.527 31.823 0.453 0.000 0.662 282 V HN 0.423 nan 8.190 nan 0.000 0.455 283 D N -0.883 119.600 120.400 0.138 0.000 2.310 283 D HA -0.109 4.538 4.640 0.011 0.000 0.212 283 D C 1.637 177.734 176.300 -0.338 0.000 0.965 283 D CA 1.210 55.181 54.000 -0.049 0.000 0.879 283 D CB -0.168 40.555 40.800 -0.128 0.000 0.921 283 D HN 0.652 nan 8.370 nan 0.000 0.510 284 H N -1.142 117.984 119.070 0.095 0.000 2.893 284 H HA 0.189 4.752 4.556 0.011 0.000 0.270 284 H C 1.525 176.845 175.328 -0.013 0.000 1.095 284 H CA -0.177 55.921 56.048 0.082 0.000 1.186 284 H CB 0.734 30.604 29.762 0.180 0.000 1.562 284 H HN 0.023 nan 8.280 nan 0.000 0.536 285 E N 0.680 120.904 120.200 0.040 0.000 2.070 285 E HA -0.231 4.126 4.350 0.011 0.000 0.197 285 E C 0.727 177.182 176.600 -0.242 0.000 1.004 285 E CA 1.489 57.880 56.400 -0.016 0.000 0.805 285 E CB -0.038 29.594 29.700 -0.113 0.000 0.744 285 E HN 0.589 nan 8.360 nan 0.000 0.451 286 W N -0.399 120.764 121.300 -0.228 0.000 2.699 286 W HA -0.015 4.652 4.660 0.011 0.000 0.249 286 W C 1.576 177.998 176.519 -0.162 0.000 1.280 286 W CA 0.698 57.876 57.345 -0.278 0.000 1.345 286 W CB 0.022 29.225 29.460 -0.428 0.000 1.128 286 W HN 0.281 nan 8.180 nan 0.000 0.642 287 H N -0.793 118.380 119.070 0.171 0.000 2.547 287 H HA 0.011 4.574 4.556 0.011 0.000 0.266 287 H C 1.860 177.230 175.328 0.071 0.000 0.988 287 H CA 0.725 56.853 56.048 0.133 0.000 1.147 287 H CB 0.094 29.957 29.762 0.168 0.000 1.365 287 H HN 0.120 nan 8.280 nan 0.000 0.589 288 V N -1.768 118.204 119.914 0.095 0.000 3.621 288 V HA 0.206 4.332 4.120 0.011 0.000 0.285 288 V C 0.425 176.484 176.094 -0.058 0.000 1.346 288 V CA -0.178 62.126 62.300 0.006 0.000 1.104 288 V CB -0.395 31.398 31.823 -0.049 0.000 0.913 288 V HN 0.125 nan 8.190 nan 0.000 0.432 289 L N 2.213 123.417 121.223 -0.032 0.000 2.426 289 L HA 0.314 4.661 4.340 0.011 0.000 0.271 289 L C -0.516 176.346 176.870 -0.014 0.000 1.169 289 L CA -1.141 53.673 54.840 -0.044 0.000 0.836 289 L CB 1.091 43.153 42.059 0.005 0.000 1.112 289 L HN 0.136 nan 8.230 nan 0.000 0.465 290 P HA -0.043 nan 4.420 nan 0.000 0.225 290 P C -0.359 176.939 177.300 -0.003 0.000 1.156 290 P CA 0.930 64.020 63.100 -0.017 0.000 0.787 290 P CB 0.479 32.163 31.700 -0.028 0.000 0.802 291 Q N -1.242 118.558 119.800 0.000 0.000 2.544 291 Q HA 0.358 4.705 4.340 0.011 0.000 0.291 291 Q C -0.667 175.342 176.000 0.015 0.000 1.068 291 Q CA -0.812 54.995 55.803 0.006 0.000 0.785 291 Q CB 1.139 29.877 28.738 0.000 0.000 1.481 291 Q HN -0.069 nan 8.270 nan 0.000 0.430 292 E N 0.890 121.099 120.200 0.015 0.000 2.366 292 E HA 0.362 4.719 4.350 0.011 0.000 0.266 292 E C -1.061 175.542 176.600 0.004 0.000 1.015 292 E CA 0.071 56.481 56.400 0.016 0.000 0.906 292 E CB 0.334 30.043 29.700 0.015 0.000 0.979 292 E HN 0.571 nan 8.360 nan 0.000 0.443 293 S N 3.797 119.496 115.700 -0.003 0.000 2.587 293 S HA 0.583 5.059 4.470 0.011 0.000 0.269 293 S C -0.561 174.012 174.600 -0.044 0.000 1.154 293 S CA -1.029 57.157 58.200 -0.023 0.000 0.824 293 S CB 0.586 63.769 63.200 -0.029 0.000 1.118 293 S HN 0.563 nan 8.310 nan 0.000 0.462 294 I N -2.498 118.033 120.570 -0.065 0.000 2.957 294 I HA 0.805 4.982 4.170 0.011 0.000 0.310 294 I C -0.106 175.907 176.117 -0.173 0.000 1.063 294 I CA -1.194 60.048 61.300 -0.096 0.000 1.033 294 I CB 1.117 39.095 38.000 -0.036 0.000 1.230 294 I HN 0.791 nan 8.210 nan 0.000 0.447 295 F N 1.616 121.241 119.950 -0.542 0.000 3.090 295 F HA -0.189 4.345 4.527 0.011 0.000 0.282 295 F C -0.310 174.913 175.800 -0.962 0.000 0.923 295 F CA 0.634 58.070 58.000 -0.940 0.000 0.977 295 F CB -0.668 37.665 39.000 -1.111 0.000 0.954 295 F HN 0.573 nan 8.300 nan 0.000 0.695 296 R N 0.390 120.432 120.500 -0.763 0.000 2.686 296 R HA 0.667 5.014 4.340 0.011 0.000 0.283 296 R C -0.981 174.885 176.300 -0.722 0.000 0.978 296 R CA -0.581 55.160 56.100 -0.599 0.000 0.897 296 R CB 1.401 31.586 30.300 -0.191 0.000 1.192 296 R HN 0.017 nan 8.270 nan 0.000 0.457 297 F N -0.833 119.199 119.950 0.138 0.000 2.565 297 F HA 0.349 4.882 4.527 0.010 0.000 0.313 297 F C 1.450 177.139 175.800 -0.184 0.000 1.091 297 F CA -0.782 57.211 58.000 -0.012 0.000 0.915 297 F CB 1.980 41.095 39.000 0.192 0.000 1.208 297 F HN 0.346 nan 8.300 nan 0.000 0.453 298 S N 0.807 116.327 115.700 -0.302 0.000 2.355 298 S HA 0.018 4.495 4.470 0.011 0.000 0.222 298 S C -0.031 174.132 174.600 -0.728 0.000 1.031 298 S CA 1.151 59.008 58.200 -0.572 0.000 0.993 298 S CB -0.170 62.582 63.200 -0.746 0.000 0.859 298 S HN 0.361 nan 8.310 nan 0.000 0.453 299 F N 1.488 121.426 119.950 -0.021 0.000 2.430 299 F HA 0.522 5.056 4.527 0.011 0.000 0.362 299 F C -0.055 175.754 175.800 0.014 0.000 1.103 299 F CA -1.007 57.020 58.000 0.045 0.000 1.045 299 F CB 1.258 40.313 39.000 0.092 0.000 1.276 299 F HN -0.116 nan 8.300 nan 0.000 0.444 300 V N 0.625 120.510 119.914 -0.048 0.000 3.158 300 V HA 0.768 4.895 4.120 0.011 0.000 0.311 300 V C -2.856 172.896 176.094 -0.570 0.000 1.181 300 V CA -3.416 58.538 62.300 -0.577 0.000 1.054 300 V CB 1.956 33.609 31.823 -0.283 0.000 1.085 300 V HN 0.250 nan 8.190 nan 0.000 0.446 301 P HA 0.101 nan 4.420 nan 0.000 0.263 301 P C -0.617 176.553 177.300 -0.215 0.000 1.175 301 P CA 0.587 63.422 63.100 -0.442 0.000 0.761 301 P CB 0.466 31.814 31.700 -0.587 0.000 0.794 302 V N 5.129 124.990 119.914 -0.089 0.000 2.630 302 V HA 0.232 4.359 4.120 0.011 0.000 0.305 302 V C -0.230 175.843 176.094 -0.035 0.000 1.046 302 V CA -0.816 61.453 62.300 -0.051 0.000 0.934 302 V CB 2.047 33.867 31.823 -0.005 0.000 1.003 302 V HN 0.127 nan 8.190 nan 0.000 0.451 303 V N 7.274 127.169 119.914 -0.031 0.000 2.287 303 V HA 0.175 4.302 4.120 0.011 0.000 0.246 303 V C 0.831 176.929 176.094 0.007 0.000 1.165 303 V CA 0.291 62.586 62.300 -0.009 0.000 1.088 303 V CB 0.128 31.939 31.823 -0.021 0.000 1.242 303 V HN 1.058 nan 8.190 nan 0.000 0.497 304 D N 2.669 123.088 120.400 0.031 0.000 2.354 304 D HA 0.093 4.740 4.640 0.011 0.000 0.209 304 D C 1.548 177.870 176.300 0.036 0.000 1.015 304 D CA 0.755 54.776 54.000 0.036 0.000 0.867 304 D CB 0.380 41.213 40.800 0.055 0.000 0.933 304 D HN 0.659 nan 8.370 nan 0.000 0.520 305 G N 0.792 109.614 108.800 0.037 0.000 2.148 305 G HA2 -0.324 3.642 3.960 0.011 0.000 0.254 305 G HA3 -0.324 3.642 3.960 0.011 0.000 0.254 305 G C 0.366 175.288 174.900 0.036 0.000 0.981 305 G CA 0.800 45.918 45.100 0.029 0.000 0.670 305 G HN 0.570 nan 8.290 nan 0.000 0.528 306 D N -1.780 118.658 120.400 0.062 0.000 3.054 306 D HA 0.236 4.883 4.640 0.011 0.000 0.209 306 D C 1.686 178.034 176.300 0.080 0.000 1.527 306 D CA 0.456 54.495 54.000 0.064 0.000 1.427 306 D CB -0.653 40.194 40.800 0.078 0.000 1.059 306 D HN 0.070 nan 8.370 nan 0.000 0.243 307 F N 1.249 121.207 119.950 0.013 0.000 2.069 307 F HA 0.169 4.702 4.527 0.011 0.000 0.298 307 F C 0.575 176.377 175.800 0.003 0.000 1.113 307 F CA 1.274 59.283 58.000 0.014 0.000 1.214 307 F CB 0.075 39.080 39.000 0.010 0.000 0.978 307 F HN 0.002 nan 8.300 nan 0.000 0.474 308 L N 0.893 122.289 121.223 0.288 0.000 2.283 308 L HA 0.193 4.539 4.340 0.011 0.000 0.281 308 L C 1.364 178.279 176.870 0.074 0.000 1.033 308 L CA -0.187 54.747 54.840 0.156 0.000 0.848 308 L CB 1.233 43.368 42.059 0.127 0.000 1.226 308 L HN 0.087 nan 8.230 nan 0.000 0.429 309 S N 0.237 115.961 115.700 0.040 0.000 2.474 309 S HA -0.021 4.456 4.470 0.011 0.000 0.235 309 S C 0.453 175.062 174.600 0.016 0.000 0.997 309 S CA 0.471 58.683 58.200 0.020 0.000 0.949 309 S CB 0.082 63.284 63.200 0.003 0.000 0.766 309 S HN 0.719 nan 8.310 nan 0.000 0.517 310 D N -0.014 120.397 120.400 0.019 0.000 2.713 310 D HA 0.259 4.906 4.640 0.011 0.000 0.306 310 D C -0.964 175.340 176.300 0.006 0.000 1.299 310 D CA 0.016 54.021 54.000 0.009 0.000 0.823 310 D CB 1.231 42.034 40.800 0.005 0.000 1.353 310 D HN 0.205 nan 8.370 nan 0.000 0.447 311 T N -0.699 113.851 114.554 -0.007 0.000 2.932 311 T HA 0.234 4.591 4.350 0.011 0.000 0.312 311 T C -1.796 172.896 174.700 -0.014 0.000 1.071 311 T CA -0.692 61.395 62.100 -0.021 0.000 1.128 311 T CB 0.881 69.731 68.868 -0.031 0.000 0.984 311 T HN 0.120 nan 8.240 nan 0.000 0.549 312 P HA -0.121 nan 4.420 nan 0.000 0.216 312 P C 1.574 178.864 177.300 -0.016 0.000 1.150 312 P CA 0.917 64.003 63.100 -0.024 0.000 0.843 312 P CB 0.084 31.740 31.700 -0.073 0.000 0.787 313 E N -0.479 119.701 120.200 -0.033 0.000 2.058 313 E HA -0.208 4.148 4.350 0.011 0.000 0.194 313 E C 1.955 178.559 176.600 0.006 0.000 0.997 313 E CA 1.458 57.845 56.400 -0.021 0.000 0.801 313 E CB -0.430 29.250 29.700 -0.033 0.000 0.746 313 E HN 0.089 nan 8.360 nan 0.000 0.450 314 A N 0.852 123.674 122.820 0.004 0.000 1.933 314 A HA -0.138 4.188 4.320 0.011 0.000 0.218 314 A C 2.217 179.822 177.584 0.035 0.000 1.175 314 A CA 1.009 53.054 52.037 0.013 0.000 0.628 314 A CB -0.496 18.506 19.000 0.004 0.000 0.814 314 A HN 0.227 nan 8.150 nan 0.000 0.444 315 L N -0.301 120.952 121.223 0.051 0.000 2.179 315 L HA -0.057 4.290 4.340 0.011 0.000 0.208 315 L C 2.512 179.495 176.870 0.188 0.000 1.096 315 L CA 1.229 56.123 54.840 0.090 0.000 0.779 315 L CB -0.503 41.613 42.059 0.095 0.000 0.922 315 L HN 0.656 nan 8.230 nan 0.000 0.443 316 I N -3.022 117.654 120.570 0.178 0.000 2.617 316 I HA -0.097 4.080 4.170 0.011 0.000 0.256 316 I C 1.902 178.153 176.117 0.224 0.000 1.167 316 I CA 1.154 62.602 61.300 0.248 0.000 1.469 316 I CB -0.369 37.668 38.000 0.063 0.000 1.098 316 I HN 0.139 nan 8.210 nan 0.000 0.436 317 N N 1.358 120.130 118.700 0.120 0.000 2.270 317 N HA -0.091 4.656 4.740 0.011 0.000 0.181 317 N C 1.760 177.313 175.510 0.071 0.000 1.016 317 N CA 2.009 55.109 53.050 0.085 0.000 0.870 317 N CB -0.295 38.219 38.487 0.045 0.000 0.979 317 N HN 0.672 nan 8.380 nan 0.000 0.431 318 T N -3.604 110.981 114.554 0.051 0.000 3.044 318 T HA 0.338 4.695 4.350 0.011 0.000 0.260 318 T C 0.878 175.526 174.700 -0.087 0.000 1.019 318 T CA -0.506 61.590 62.100 -0.006 0.000 0.921 318 T CB 0.064 68.923 68.868 -0.016 0.000 1.053 318 T HN 0.039 nan 8.240 nan 0.000 0.533 319 G N 0.953 109.677 108.800 -0.126 0.000 2.527 319 G HA2 0.417 4.384 3.960 0.011 0.000 0.248 319 G HA3 0.417 4.384 3.960 0.011 0.000 0.248 319 G C -1.051 173.386 174.900 -0.771 0.000 1.231 319 G CA -0.424 44.326 45.100 -0.583 0.000 0.838 319 G HN 0.327 nan 8.290 nan 0.000 0.570 320 D N 0.297 120.227 120.400 -0.783 0.000 2.373 320 D HA 0.372 5.018 4.640 0.011 0.000 0.227 320 D C -0.525 175.395 176.300 -0.633 0.000 1.091 320 D CA -0.704 52.990 54.000 -0.509 0.000 0.840 320 D CB 0.609 41.255 40.800 -0.256 0.000 1.060 320 D HN 0.089 nan 8.370 nan 0.000 0.502 321 F N 2.501 122.458 119.950 0.011 0.000 2.908 321 F HA 0.228 4.762 4.527 0.011 0.000 0.328 321 F C 1.822 177.632 175.800 0.016 0.000 1.211 321 F CA -0.486 57.525 58.000 0.017 0.000 1.291 321 F CB 0.347 39.365 39.000 0.029 0.000 0.962 321 F HN 0.364 nan 8.300 nan 0.000 0.505 322 Q N 1.471 121.329 119.800 0.096 0.000 2.084 322 Q HA -0.204 4.143 4.340 0.011 0.000 0.202 322 Q C 1.174 177.215 176.000 0.069 0.000 0.978 322 Q CA 2.265 58.109 55.803 0.068 0.000 0.844 322 Q CB -0.045 28.706 28.738 0.022 0.000 0.898 322 Q HN 0.466 nan 8.270 nan 0.000 0.426 323 D N -1.002 119.435 120.400 0.062 0.000 2.370 323 D HA 0.102 4.748 4.640 0.011 0.000 0.230 323 D C -0.560 175.777 176.300 0.063 0.000 1.143 323 D CA -0.134 53.893 54.000 0.045 0.000 0.834 323 D CB -0.004 40.806 40.800 0.017 0.000 0.944 323 D HN 0.154 nan 8.370 nan 0.000 0.504 324 L N 0.369 121.654 121.223 0.104 0.000 2.333 324 L HA 0.452 4.799 4.340 0.011 0.000 0.280 324 L C -1.225 175.726 176.870 0.135 0.000 1.004 324 L CA -0.461 54.454 54.840 0.125 0.000 0.820 324 L CB 1.959 44.126 42.059 0.180 0.000 1.247 324 L HN -0.167 nan 8.230 nan 0.000 0.416 325 Q N 4.078 123.975 119.800 0.161 0.000 2.322 325 Q HA 0.714 5.060 4.340 0.011 0.000 0.265 325 Q C -1.113 175.155 176.000 0.446 0.000 0.985 325 Q CA -0.563 55.396 55.803 0.260 0.000 0.849 325 Q CB 2.403 31.245 28.738 0.174 0.000 1.274 325 Q HN 0.545 nan 8.270 nan 0.000 0.449 326 V N 0.222 120.354 119.914 0.364 0.000 2.876 326 V HA 0.762 4.889 4.120 0.011 0.000 0.312 326 V C -1.465 174.576 176.094 -0.087 0.000 1.085 326 V CA -1.147 61.275 62.300 0.202 0.000 0.945 326 V CB 1.806 33.663 31.823 0.056 0.000 1.017 326 V HN 0.626 nan 8.190 nan 0.000 0.428 327 L N 5.669 126.625 121.223 -0.444 0.000 2.341 327 L HA 0.935 5.282 4.340 0.011 0.000 0.278 327 L C -0.377 176.387 176.870 -0.177 0.000 1.005 327 L CA -0.278 54.248 54.840 -0.524 0.000 0.818 327 L CB 1.633 42.945 42.059 -1.245 0.000 1.259 327 L HN 1.122 nan 8.230 nan 0.000 0.418 328 V N 1.958 121.848 119.914 -0.040 0.000 3.007 328 V HA 1.130 5.257 4.120 0.011 0.000 0.311 328 V C -0.289 175.624 176.094 -0.302 0.000 1.120 328 V CA 0.274 62.535 62.300 -0.066 0.000 0.980 328 V CB 1.212 32.957 31.823 -0.131 0.000 1.033 328 V HN 1.154 nan 8.190 nan 0.000 0.429 329 G N 0.807 109.269 108.800 -0.563 0.000 2.428 329 G HA2 0.787 4.754 3.960 0.011 0.000 0.304 329 G HA3 0.787 4.754 3.960 0.011 0.000 0.304 329 G C -1.159 173.434 174.900 -0.512 0.000 1.303 329 G CA 0.135 44.538 45.100 -1.162 0.000 0.825 329 G HN 2.132 nan 8.290 nan 0.000 0.484 330 V N -2.413 117.324 119.914 -0.295 0.000 3.159 330 V HA 0.912 5.039 4.120 0.011 0.000 0.308 330 V C 0.230 176.528 176.094 0.340 0.000 1.190 330 V CA -0.404 61.959 62.300 0.105 0.000 1.037 330 V CB 1.083 32.947 31.823 0.069 0.000 1.060 330 V HN 1.881 nan 8.190 nan 0.000 0.437 331 V N -0.361 119.781 119.914 0.380 0.000 3.109 331 V HA 0.571 4.698 4.120 0.011 0.000 0.317 331 V C 1.369 177.667 176.094 0.340 0.000 1.074 331 V CA 0.001 62.573 62.300 0.452 0.000 1.033 331 V CB 1.279 33.372 31.823 0.451 0.000 1.111 331 V HN 1.085 nan 8.190 nan 0.000 0.458 332 K N 0.034 120.627 120.400 0.322 0.000 2.148 332 K HA -0.059 4.268 4.320 0.011 0.000 0.204 332 K C 0.009 176.737 176.600 0.212 0.000 1.050 332 K CA 1.929 58.357 56.287 0.235 0.000 0.942 332 K CB 0.008 32.622 32.500 0.191 0.000 0.724 332 K HN 0.958 nan 8.250 nan 0.000 0.446 333 D N 0.523 121.062 120.400 0.232 0.000 2.613 333 D HA 0.059 4.705 4.640 0.011 0.000 0.312 333 D C 0.054 176.496 176.300 0.237 0.000 1.202 333 D CA -0.200 53.925 54.000 0.207 0.000 0.825 333 D CB 1.265 42.170 40.800 0.175 0.000 1.113 333 D HN 0.027 nan 8.370 nan 0.000 0.502 334 E N 0.466 120.812 120.200 0.243 0.000 2.118 334 E HA -0.134 4.223 4.350 0.011 0.000 0.195 334 E C 2.101 178.857 176.600 0.259 0.000 0.992 334 E CA 0.996 57.565 56.400 0.282 0.000 0.804 334 E CB -0.008 29.818 29.700 0.211 0.000 0.741 334 E HN 0.507 nan 8.360 nan 0.000 0.458 335 G N 0.914 109.824 108.800 0.183 0.000 2.683 335 G HA2 -0.150 3.816 3.960 0.011 0.000 0.213 335 G HA3 -0.150 3.816 3.960 0.011 0.000 0.213 335 G C 1.701 176.707 174.900 0.176 0.000 1.142 335 G CA 0.795 45.996 45.100 0.169 0.000 0.793 335 G HN 0.356 nan 8.290 nan 0.000 0.534 336 S N 1.047 116.844 115.700 0.161 0.000 2.359 336 S HA -0.280 4.197 4.470 0.011 0.000 0.224 336 S C 2.266 176.906 174.600 0.066 0.000 1.035 336 S CA 1.778 60.074 58.200 0.160 0.000 1.018 336 S CB -0.803 62.449 63.200 0.086 0.000 0.876 336 S HN 0.710 nan 8.310 nan 0.000 0.448 337 Y N 1.110 121.320 120.300 -0.149 0.000 2.314 337 Y HA 0.243 4.800 4.550 0.011 0.000 0.293 337 Y C 1.748 177.549 175.900 -0.164 0.000 1.129 337 Y CA 0.086 57.976 58.100 -0.350 0.000 1.201 337 Y CB -1.088 36.968 38.460 -0.674 0.000 0.999 337 Y HN 0.195 nan 8.280 nan 0.000 0.541 338 F N 0.969 120.541 119.950 -0.630 0.000 2.250 338 F HA -0.186 4.348 4.527 0.011 0.000 0.301 338 F C 2.115 177.842 175.800 -0.123 0.000 1.077 338 F CA 1.385 59.087 58.000 -0.496 0.000 1.348 338 F CB -0.477 38.176 39.000 -0.578 0.000 1.040 338 F HN 0.108 nan 8.300 nan 0.000 0.509 339 L N -0.131 121.109 121.223 0.028 0.000 2.131 339 L HA -0.164 4.183 4.340 0.011 0.000 0.210 339 L C 2.381 179.293 176.870 0.069 0.000 1.092 339 L CA 1.129 55.881 54.840 -0.146 0.000 0.759 339 L CB -0.996 40.698 42.059 -0.609 0.000 0.903 339 L HN 0.201 nan 8.230 nan 0.000 0.435 340 V N -4.887 115.172 119.914 0.242 0.000 3.306 340 V HA -0.141 3.986 4.120 0.011 0.000 0.264 340 V C 1.420 177.541 176.094 0.044 0.000 1.149 340 V CA 0.673 63.126 62.300 0.254 0.000 1.143 340 V CB -1.036 31.006 31.823 0.366 0.000 0.767 340 V HN 0.286 nan 8.190 nan 0.000 0.476 341 Y N 2.036 122.393 120.300 0.094 0.000 2.496 341 Y HA 0.621 5.177 4.550 0.011 0.000 0.313 341 Y C 1.709 177.597 175.900 -0.019 0.000 1.184 341 Y CA 0.402 58.514 58.100 0.021 0.000 1.275 341 Y CB 0.304 38.762 38.460 -0.004 0.000 1.103 341 Y HN 0.448 nan 8.280 nan 0.000 0.513 342 G N -1.373 107.487 108.800 0.101 0.000 3.732 342 G HA2 -0.083 3.884 3.960 0.011 0.000 0.220 342 G HA3 -0.083 3.884 3.960 0.011 0.000 0.220 342 G C -0.815 174.126 174.900 0.068 0.000 0.903 342 G CA -0.539 44.597 45.100 0.061 0.000 0.896 342 G HN -0.023 nan 8.290 nan 0.000 0.685 343 V N 2.733 122.704 119.914 0.094 0.000 2.364 343 V HA 0.426 4.553 4.120 0.011 0.000 0.272 343 V C -1.883 174.365 176.094 0.256 0.000 1.036 343 V CA -1.642 60.741 62.300 0.138 0.000 0.880 343 V CB 1.354 33.208 31.823 0.051 0.000 0.991 343 V HN 0.076 nan 8.190 nan 0.000 0.460 344 P HA 0.276 nan 4.420 nan 0.000 0.265 344 P C 0.965 178.358 177.300 0.155 0.000 1.193 344 P CA 1.081 64.264 63.100 0.139 0.000 0.765 344 P CB 0.714 32.462 31.700 0.080 0.000 0.823 345 G N 1.206 110.041 108.800 0.059 0.000 2.218 345 G HA2 -0.201 3.766 3.960 0.011 0.000 0.216 345 G HA3 -0.201 3.766 3.960 0.011 0.000 0.216 345 G C -0.235 174.470 174.900 -0.326 0.000 0.994 345 G CA -0.607 44.407 45.100 -0.143 0.000 0.637 345 G HN 0.397 nan 8.290 nan 0.000 0.505 346 F N 1.586 121.540 119.950 0.005 0.000 2.436 346 F HA 0.796 5.330 4.527 0.011 0.000 0.340 346 F C 0.554 176.441 175.800 0.145 0.000 1.113 346 F CA -0.164 57.856 58.000 0.034 0.000 1.022 346 F CB 2.288 41.344 39.000 0.093 0.000 1.128 346 F HN 0.157 nan 8.300 nan 0.000 0.466 347 S N 1.744 117.670 115.700 0.377 0.000 2.556 347 S HA 0.302 4.778 4.470 0.011 0.000 0.271 347 S C 0.322 175.228 174.600 0.509 0.000 1.135 347 S CA -0.854 57.579 58.200 0.388 0.000 0.858 347 S CB 1.459 64.789 63.200 0.216 0.000 1.114 347 S HN 0.766 nan 8.310 nan 0.000 0.468 348 K N 1.069 121.677 120.400 0.346 0.000 2.366 348 K HA 0.112 4.439 4.320 0.011 0.000 0.198 348 K C 0.025 176.647 176.600 0.036 0.000 1.044 348 K CA 1.164 57.546 56.287 0.159 0.000 0.973 348 K CB -0.109 32.235 32.500 -0.260 0.000 0.767 348 K HN 0.432 nan 8.250 nan 0.000 0.475 349 D N 0.948 121.355 120.400 0.011 0.000 2.349 349 D HA 0.019 4.666 4.640 0.011 0.000 0.214 349 D C -0.309 176.016 176.300 0.042 0.000 1.063 349 D CA 0.240 54.221 54.000 -0.032 0.000 0.847 349 D CB 0.105 40.864 40.800 -0.068 0.000 0.933 349 D HN 0.497 nan 8.370 nan 0.000 0.513 350 N N -1.100 117.669 118.700 0.115 0.000 3.157 350 N HA 0.109 4.855 4.740 0.011 0.000 0.291 350 N C 0.394 175.982 175.510 0.130 0.000 1.515 350 N CA -0.496 52.603 53.050 0.082 0.000 0.807 350 N CB 0.870 39.363 38.487 0.010 0.000 1.672 350 N HN -0.445 nan 8.380 nan 0.000 0.592 351 E N -0.459 119.745 120.200 0.006 0.000 2.482 351 E HA 0.050 4.407 4.350 0.011 0.000 0.196 351 E C -0.360 175.950 176.600 -0.483 0.000 1.047 351 E CA 0.349 56.695 56.400 -0.091 0.000 0.869 351 E CB -0.625 29.041 29.700 -0.057 0.000 0.836 351 E HN 0.587 nan 8.360 nan 0.000 0.520 352 S N 0.052 115.475 115.700 -0.462 0.000 3.641 352 S HA -0.195 4.281 4.470 0.011 0.000 0.346 352 S C 0.331 174.503 174.600 -0.714 0.000 1.074 352 S CA 0.167 57.934 58.200 -0.722 0.000 1.026 352 S CB -1.831 60.690 63.200 -1.132 0.000 0.908 352 S HN 0.296 nan 8.310 nan 0.000 0.479 353 L N 1.650 122.612 121.223 -0.434 0.000 2.418 353 L HA 0.405 4.751 4.340 0.011 0.000 0.274 353 L C 0.685 177.361 176.870 -0.322 0.000 1.135 353 L CA 0.097 54.744 54.840 -0.321 0.000 0.870 353 L CB 0.109 42.050 42.059 -0.197 0.000 1.154 353 L HN 0.441 nan 8.230 nan 0.000 0.462 354 I N 0.176 120.563 120.570 -0.306 0.000 2.910 354 I HA 0.637 4.813 4.170 0.011 0.000 0.310 354 I C 0.394 176.443 176.117 -0.113 0.000 1.043 354 I CA -0.672 60.484 61.300 -0.241 0.000 1.053 354 I CB 2.056 39.884 38.000 -0.287 0.000 1.242 354 I HN 0.542 nan 8.210 nan 0.000 0.452 355 S N 2.498 118.161 115.700 -0.060 0.000 2.652 355 S HA 0.378 4.854 4.470 0.011 0.000 0.270 355 S C 0.961 175.590 174.600 0.049 0.000 1.243 355 S CA -0.434 57.758 58.200 -0.013 0.000 0.999 355 S CB 1.582 64.779 63.200 -0.006 0.000 0.973 355 S HN 0.891 nan 8.310 nan 0.000 0.544 356 R N 0.813 121.346 120.500 0.055 0.000 2.091 356 R HA -0.118 4.229 4.340 0.011 0.000 0.238 356 R C 2.338 178.730 176.300 0.153 0.000 1.136 356 R CA 1.804 57.977 56.100 0.121 0.000 0.959 356 R CB -1.162 29.183 30.300 0.075 0.000 0.856 356 R HN 0.850 nan 8.270 nan 0.000 0.437 357 A N 0.308 123.181 122.820 0.089 0.000 1.902 357 A HA -0.212 4.115 4.320 0.011 0.000 0.217 357 A C 2.049 179.679 177.584 0.077 0.000 1.181 357 A CA 1.586 53.666 52.037 0.071 0.000 0.623 357 A CB -0.470 18.556 19.000 0.043 0.000 0.818 357 A HN 0.533 nan 8.150 nan 0.000 0.443 358 Q N -1.926 117.926 119.800 0.087 0.000 2.167 358 Q HA -0.095 4.252 4.340 0.011 0.000 0.202 358 Q C 1.841 177.944 176.000 0.172 0.000 0.970 358 Q CA 1.399 57.261 55.803 0.098 0.000 0.855 358 Q CB -0.253 28.518 28.738 0.055 0.000 0.911 358 Q HN 0.814 nan 8.270 nan 0.000 0.438 359 F N 1.006 120.987 119.950 0.052 0.000 2.113 359 F HA -0.180 4.353 4.527 0.011 0.000 0.297 359 F C 1.695 177.529 175.800 0.057 0.000 1.103 359 F CA 1.002 59.043 58.000 0.067 0.000 1.248 359 F CB 0.088 39.115 39.000 0.045 0.000 0.999 359 F HN -0.043 nan 8.300 nan 0.000 0.475 360 L N 0.217 121.368 121.223 -0.120 0.000 2.083 360 L HA -0.196 4.151 4.340 0.011 0.000 0.209 360 L C 2.798 179.583 176.870 -0.142 0.000 1.083 360 L CA 1.170 55.890 54.840 -0.200 0.000 0.752 360 L CB -1.456 40.575 42.059 -0.046 0.000 0.899 360 L HN 0.273 nan 8.230 nan 0.000 0.433 361 A N 0.516 123.305 122.820 -0.052 0.000 1.968 361 A HA -0.014 4.312 4.320 0.011 0.000 0.217 361 A C 2.424 179.994 177.584 -0.023 0.000 1.169 361 A CA 1.348 53.373 52.037 -0.020 0.000 0.638 361 A CB -0.997 18.014 19.000 0.019 0.000 0.812 361 A HN 0.416 nan 8.150 nan 0.000 0.446 362 G N -0.539 108.253 108.800 -0.013 0.000 2.422 362 G HA2 -0.094 3.872 3.960 0.011 0.000 0.218 362 G HA3 -0.094 3.872 3.960 0.011 0.000 0.218 362 G C 1.451 176.297 174.900 -0.091 0.000 1.146 362 G CA 1.215 46.312 45.100 -0.006 0.000 0.769 362 G HN 0.298 nan 8.290 nan 0.000 0.547 363 V N 0.804 120.596 119.914 -0.203 0.000 2.427 363 V HA -0.087 4.039 4.120 0.011 0.000 0.248 363 V C 2.942 178.978 176.094 -0.098 0.000 1.051 363 V CA 1.385 63.565 62.300 -0.200 0.000 1.048 363 V CB -0.327 31.290 31.823 -0.343 0.000 0.666 363 V HN 0.197 nan 8.190 nan 0.000 0.456 364 R N -0.051 120.401 120.500 -0.080 0.000 2.120 364 R HA 0.007 4.354 4.340 0.011 0.000 0.234 364 R C 2.012 178.296 176.300 -0.026 0.000 1.123 364 R CA 1.393 57.469 56.100 -0.041 0.000 0.975 364 R CB -0.820 29.462 30.300 -0.029 0.000 0.866 364 R HN 0.466 nan 8.270 nan 0.000 0.446 365 I N -0.575 119.978 120.570 -0.027 0.000 2.480 365 I HA -0.056 4.121 4.170 0.011 0.000 0.251 365 I C 2.183 178.285 176.117 -0.024 0.000 1.124 365 I CA 1.311 62.600 61.300 -0.018 0.000 1.444 365 I CB -0.370 37.624 38.000 -0.010 0.000 1.098 365 I HN 0.186 nan 8.210 nan 0.000 0.428 366 G N 0.136 108.915 108.800 -0.034 0.000 2.572 366 G HA2 0.008 3.974 3.960 0.011 0.000 0.216 366 G HA3 0.008 3.974 3.960 0.011 0.000 0.216 366 G C 0.782 175.691 174.900 0.015 0.000 1.133 366 G CA 0.354 45.435 45.100 -0.032 0.000 0.791 366 G HN 0.244 nan 8.290 nan 0.000 0.538 367 V N 1.651 121.568 119.914 0.004 0.000 2.468 367 V HA 0.210 4.337 4.120 0.011 0.000 0.256 367 V C -1.540 174.561 176.094 0.011 0.000 0.998 367 V CA -0.996 61.304 62.300 -0.001 0.000 1.114 367 V CB 1.488 33.292 31.823 -0.032 0.000 1.378 367 V HN 0.044 nan 8.190 nan 0.000 0.573 368 P HA -0.110 nan 4.420 nan 0.000 0.222 368 P C 1.085 178.393 177.300 0.012 0.000 1.147 368 P CA 1.014 64.121 63.100 0.011 0.000 0.790 368 P CB 0.561 32.264 31.700 0.005 0.000 0.780 369 Q N -0.463 119.354 119.800 0.028 0.000 2.403 369 Q HA 0.243 4.589 4.340 0.011 0.000 0.203 369 Q C 0.819 176.822 176.000 0.004 0.000 0.932 369 Q CA 0.050 55.864 55.803 0.018 0.000 0.945 369 Q CB -0.431 28.327 28.738 0.034 0.000 1.045 369 Q HN 0.179 nan 8.270 nan 0.000 0.511 370 A N 0.545 123.364 122.820 -0.001 0.000 2.331 370 A HA 0.512 4.839 4.320 0.011 0.000 0.283 370 A C 0.442 178.018 177.584 -0.013 0.000 1.142 370 A CA -0.383 51.647 52.037 -0.013 0.000 0.812 370 A CB 0.351 19.343 19.000 -0.014 0.000 1.074 370 A HN 0.328 nan 8.150 nan 0.000 0.497 371 S N 1.738 117.427 115.700 -0.019 0.000 2.634 371 S HA 0.065 4.542 4.470 0.011 0.000 0.254 371 S C 0.470 175.067 174.600 -0.004 0.000 1.299 371 S CA 0.639 58.831 58.200 -0.014 0.000 0.974 371 S CB 0.167 63.355 63.200 -0.021 0.000 1.001 371 S HN 0.625 nan 8.310 nan 0.000 0.584 372 D N -0.048 120.353 120.400 0.001 0.000 2.097 372 D HA -0.035 4.612 4.640 0.011 0.000 0.197 372 D C 1.789 178.103 176.300 0.023 0.000 0.984 372 D CA 0.975 54.981 54.000 0.011 0.000 0.826 372 D CB -0.438 40.369 40.800 0.011 0.000 0.973 372 D HN 0.390 nan 8.370 nan 0.000 0.460 373 L N 0.702 121.938 121.223 0.023 0.000 2.017 373 L HA -0.076 4.271 4.340 0.011 0.000 0.208 373 L C 2.021 178.926 176.870 0.060 0.000 1.073 373 L CA 1.874 56.739 54.840 0.041 0.000 0.745 373 L CB -0.891 41.186 42.059 0.029 0.000 0.894 373 L HN 0.014 nan 8.230 nan 0.000 0.432 374 A N -0.760 122.077 122.820 0.027 0.000 1.933 374 A HA -0.047 4.280 4.320 0.011 0.000 0.218 374 A C 2.391 180.012 177.584 0.062 0.000 1.175 374 A CA 1.629 53.680 52.037 0.024 0.000 0.628 374 A CB -1.030 17.944 19.000 -0.045 0.000 0.814 374 A HN 0.562 nan 8.150 nan 0.000 0.444 375 A N -0.745 122.099 122.820 0.041 0.000 2.014 375 A HA -0.017 4.309 4.320 0.011 0.000 0.218 375 A C 1.936 179.555 177.584 0.058 0.000 1.163 375 A CA 1.844 53.901 52.037 0.034 0.000 0.652 375 A CB -0.289 18.711 19.000 -0.001 0.000 0.808 375 A HN 0.441 nan 8.150 nan 0.000 0.449 376 E N 0.345 120.593 120.200 0.080 0.000 2.158 376 E HA 0.057 4.414 4.350 0.011 0.000 0.191 376 E C 2.022 178.717 176.600 0.158 0.000 0.982 376 E CA 1.187 57.652 56.400 0.108 0.000 0.823 376 E CB -0.439 29.319 29.700 0.097 0.000 0.766 376 E HN 0.439 nan 8.360 nan 0.000 0.468 377 A N 0.068 123.003 122.820 0.192 0.000 1.902 377 A HA -0.153 4.174 4.320 0.011 0.000 0.217 377 A C 2.474 180.197 177.584 0.232 0.000 1.181 377 A CA 1.706 53.913 52.037 0.283 0.000 0.623 377 A CB -0.810 18.460 19.000 0.450 0.000 0.818 377 A HN 0.180 nan 8.150 nan 0.000 0.443 378 V N -0.500 119.557 119.914 0.237 0.000 2.295 378 V HA -0.235 3.892 4.120 0.011 0.000 0.246 378 V C 2.578 178.821 176.094 0.247 0.000 1.049 378 V CA 2.011 64.407 62.300 0.160 0.000 1.024 378 V CB -0.799 31.110 31.823 0.143 0.000 0.648 378 V HN 0.370 nan 8.190 nan 0.000 0.447 379 V N -0.183 119.842 119.914 0.185 0.000 2.295 379 V HA -0.258 3.868 4.120 0.011 0.000 0.246 379 V C 2.288 178.589 176.094 0.344 0.000 1.049 379 V CA 2.061 64.516 62.300 0.258 0.000 1.024 379 V CB -0.508 31.396 31.823 0.136 0.000 0.648 379 V HN 0.453 nan 8.190 nan 0.000 0.447 380 L N -0.737 120.677 121.223 0.317 0.000 2.141 380 L HA -0.189 4.158 4.340 0.011 0.000 0.209 380 L C 2.531 179.608 176.870 0.346 0.000 1.094 380 L CA 1.805 56.912 54.840 0.445 0.000 0.763 380 L CB -0.741 41.521 42.059 0.338 0.000 0.908 380 L HN 0.450 nan 8.230 nan 0.000 0.437 381 H N -0.989 118.087 119.070 0.010 0.000 2.395 381 H HA -0.151 4.411 4.556 0.010 0.000 0.299 381 H C 1.684 176.890 175.328 -0.203 0.000 1.070 381 H CA 1.736 57.635 56.048 -0.249 0.000 1.356 381 H CB 0.107 29.358 29.762 -0.851 0.000 1.401 381 H HN 0.255 nan 8.280 nan 0.000 0.524 382 Y N -0.367 119.941 120.300 0.012 0.000 2.478 382 Y HA 0.164 4.722 4.550 0.012 0.000 0.261 382 Y C 0.743 176.656 175.900 0.023 0.000 1.127 382 Y CA 0.218 58.355 58.100 0.061 0.000 1.288 382 Y CB 0.419 39.047 38.460 0.280 0.000 1.084 382 Y HN 0.011 nan 8.280 nan 0.000 0.530 383 T N 1.533 116.094 114.554 0.010 0.000 2.916 383 T HA -0.051 4.306 4.350 0.011 0.000 0.303 383 T C -0.316 174.028 174.700 -0.592 0.000 1.025 383 T CA -0.142 61.701 62.100 -0.428 0.000 1.142 383 T CB 0.263 68.546 68.868 -0.975 0.000 0.947 383 T HN 0.064 nan 8.240 nan 0.000 0.544 384 D N 1.876 121.847 120.400 -0.714 0.000 2.339 384 D HA 0.117 4.764 4.640 0.011 0.000 0.241 384 D C -0.059 175.933 176.300 -0.514 0.000 1.183 384 D CA -0.733 52.890 54.000 -0.628 0.000 0.859 384 D CB 0.436 40.655 40.800 -0.969 0.000 1.067 384 D HN 0.598 nan 8.370 nan 0.000 0.484 385 W N 3.242 124.465 121.300 -0.129 0.000 3.047 385 W HA 0.138 4.803 4.660 0.009 0.000 0.250 385 W C 1.960 178.414 176.519 -0.108 0.000 1.314 385 W CA -0.294 56.993 57.345 -0.096 0.000 1.540 385 W CB 0.083 29.498 29.460 -0.074 0.000 1.127 385 W HN 0.415 nan 8.180 nan 0.000 0.679 386 L N -0.815 120.424 121.223 0.026 0.000 2.179 386 L HA -0.096 4.251 4.340 0.011 0.000 0.208 386 L C 0.244 176.867 176.870 -0.410 0.000 1.096 386 L CA 1.206 55.975 54.840 -0.119 0.000 0.779 386 L CB -0.217 41.836 42.059 -0.011 0.000 0.922 386 L HN 0.033 nan 8.230 nan 0.000 0.443 387 H N -1.745 117.230 119.070 -0.160 0.000 2.535 387 H HA 0.157 4.719 4.556 0.011 0.000 0.232 387 H C -1.801 173.383 175.328 -0.241 0.000 1.405 387 H CA -1.378 54.571 56.048 -0.165 0.000 1.224 387 H CB 0.150 29.819 29.762 -0.155 0.000 1.763 387 H HN -0.006 nan 8.280 nan 0.000 0.529 388 P HA -0.138 nan 4.420 nan 0.000 0.228 388 P C 0.460 177.649 177.300 -0.186 0.000 1.151 388 P CA 1.201 64.126 63.100 -0.293 0.000 0.770 388 P CB 0.687 32.244 31.700 -0.238 0.000 0.786 389 E N -0.729 119.414 120.200 -0.094 0.000 2.601 389 E HA 0.052 4.408 4.350 0.011 0.000 0.219 389 E C -0.181 176.397 176.600 -0.038 0.000 0.964 389 E CA -0.204 56.163 56.400 -0.056 0.000 1.050 389 E CB 0.177 29.860 29.700 -0.028 0.000 1.068 389 E HN 0.221 nan 8.360 nan 0.000 0.496 390 D N 2.897 123.283 120.400 -0.023 0.000 2.401 390 D HA -0.009 4.638 4.640 0.011 0.000 0.254 390 D C -1.351 174.931 176.300 -0.030 0.000 1.192 390 D CA -1.492 52.505 54.000 -0.005 0.000 0.885 390 D CB 1.234 42.049 40.800 0.025 0.000 1.147 390 D HN -0.124 nan 8.370 nan 0.000 0.478 391 P HA -0.091 nan 4.420 nan 0.000 0.221 391 P C 1.149 178.387 177.300 -0.102 0.000 1.150 391 P CA 0.761 63.809 63.100 -0.085 0.000 0.800 391 P CB 0.205 31.849 31.700 -0.094 0.000 0.787 392 T N -1.027 113.484 114.554 -0.072 0.000 2.708 392 T HA -0.180 4.176 4.350 0.011 0.000 0.266 392 T C 1.791 176.452 174.700 -0.065 0.000 1.037 392 T CA 1.718 63.777 62.100 -0.068 0.000 1.146 392 T CB -0.994 67.851 68.868 -0.039 0.000 0.865 392 T HN 0.304 nan 8.240 nan 0.000 0.435 393 H N 0.582 119.582 119.070 -0.116 0.000 2.389 393 H HA 0.117 4.680 4.556 0.010 0.000 0.299 393 H C 2.008 177.221 175.328 -0.191 0.000 1.081 393 H CA 1.128 57.097 56.048 -0.131 0.000 1.345 393 H CB -0.355 29.317 29.762 -0.150 0.000 1.393 393 H HN 0.227 nan 8.280 nan 0.000 0.520 394 L N 0.187 121.310 121.223 -0.166 0.000 2.083 394 L HA -0.162 4.185 4.340 0.011 0.000 0.209 394 L C 2.886 179.633 176.870 -0.204 0.000 1.083 394 L CA 1.369 56.002 54.840 -0.345 0.000 0.752 394 L CB -0.465 41.443 42.059 -0.252 0.000 0.899 394 L HN 0.300 nan 8.230 nan 0.000 0.433 395 R N 0.646 121.078 120.500 -0.112 0.000 2.070 395 R HA -0.194 4.153 4.340 0.011 0.000 0.232 395 R C 1.700 178.044 176.300 0.075 0.000 1.138 395 R CA 2.291 58.399 56.100 0.012 0.000 0.936 395 R CB -0.490 29.707 30.300 -0.171 0.000 0.839 395 R HN 0.317 nan 8.270 nan 0.000 0.429 396 D N 0.392 120.768 120.400 -0.039 0.000 2.218 396 D HA -0.103 4.544 4.640 0.011 0.000 0.204 396 D C 1.671 177.932 176.300 -0.065 0.000 0.976 396 D CA 1.383 55.373 54.000 -0.016 0.000 0.853 396 D CB -0.170 40.587 40.800 -0.072 0.000 0.939 396 D HN 0.418 nan 8.370 nan 0.000 0.481 397 A N 0.449 123.135 122.820 -0.223 0.000 1.929 397 A HA -0.082 4.245 4.320 0.011 0.000 0.216 397 A C 2.121 179.744 177.584 0.065 0.000 1.176 397 A CA 1.146 53.106 52.037 -0.128 0.000 0.628 397 A CB -0.394 18.391 19.000 -0.359 0.000 0.816 397 A HN 0.140 nan 8.150 nan 0.000 0.444 398 M N -0.005 119.697 119.600 0.170 0.000 2.117 398 M HA -0.089 4.398 4.480 0.011 0.000 0.262 398 M C 2.271 178.602 176.300 0.051 0.000 1.065 398 M CA 2.089 57.534 55.300 0.242 0.000 1.114 398 M CB -0.465 32.341 32.600 0.344 0.000 1.361 398 M HN 0.400 nan 8.290 nan 0.000 0.408 399 S N -0.280 115.464 115.700 0.074 0.000 2.356 399 S HA -0.093 4.384 4.470 0.011 0.000 0.223 399 S C 2.054 176.695 174.600 0.069 0.000 1.032 399 S CA 1.521 59.773 58.200 0.087 0.000 1.005 399 S CB -0.588 62.732 63.200 0.200 0.000 0.867 399 S HN 0.627 nan 8.310 nan 0.000 0.449 400 A N 0.826 123.695 122.820 0.083 0.000 1.930 400 A HA 0.035 4.361 4.320 0.011 0.000 0.217 400 A C 2.355 179.957 177.584 0.029 0.000 1.175 400 A CA 1.645 53.760 52.037 0.130 0.000 0.627 400 A CB -1.055 18.113 19.000 0.280 0.000 0.815 400 A HN 0.461 nan 8.150 nan 0.000 0.443 401 V N -0.446 119.342 119.914 -0.210 0.000 2.287 401 V HA -0.255 3.872 4.120 0.011 0.000 0.248 401 V C 2.559 178.566 176.094 -0.145 0.000 1.053 401 V CA 2.189 64.315 62.300 -0.290 0.000 1.027 401 V CB -0.731 30.924 31.823 -0.280 0.000 0.646 401 V HN 0.381 nan 8.190 nan 0.000 0.447 402 V N 0.485 120.327 119.914 -0.119 0.000 2.379 402 V HA -0.095 4.031 4.120 0.011 0.000 0.245 402 V C 2.580 178.542 176.094 -0.220 0.000 1.044 402 V CA 1.978 64.184 62.300 -0.158 0.000 1.036 402 V CB -1.157 30.598 31.823 -0.113 0.000 0.664 402 V HN 0.609 nan 8.190 nan 0.000 0.453 403 G N -0.221 108.516 108.800 -0.106 0.000 2.421 403 G HA2 -0.239 3.728 3.960 0.011 0.000 0.216 403 G HA3 -0.239 3.728 3.960 0.011 0.000 0.216 403 G C 1.233 176.048 174.900 -0.142 0.000 1.171 403 G CA 1.065 46.121 45.100 -0.073 0.000 0.775 403 G HN 0.498 nan 8.290 nan 0.000 0.543 404 D N -0.372 119.953 120.400 -0.125 0.000 2.117 404 D HA -0.064 4.583 4.640 0.011 0.000 0.198 404 D C 2.111 178.073 176.300 -0.565 0.000 0.982 404 D CA 1.176 55.065 54.000 -0.185 0.000 0.828 404 D CB -0.434 40.417 40.800 0.086 0.000 0.967 404 D HN 0.394 nan 8.370 nan 0.000 0.464 405 H N 1.021 119.491 119.070 -1.000 0.000 2.357 405 H HA 0.036 4.598 4.556 0.010 0.000 0.301 405 H C 1.459 176.387 175.328 -0.668 0.000 1.082 405 H CA 1.589 56.883 56.048 -1.256 0.000 1.342 405 H CB 0.030 29.012 29.762 -1.300 0.000 1.389 405 H HN -0.009 nan 8.280 nan 0.000 0.511 406 N N -0.766 117.480 118.700 -0.757 0.000 2.409 406 N HA 0.003 4.750 4.740 0.011 0.000 0.174 406 N C 1.172 176.432 175.510 -0.416 0.000 1.037 406 N CA 1.077 53.633 53.050 -0.824 0.000 0.898 406 N CB 1.103 38.591 38.487 -1.665 0.000 1.010 406 N HN 0.279 nan 8.380 nan 0.000 0.445 407 V N -0.618 119.117 119.914 -0.299 0.000 3.442 407 V HA 0.058 4.185 4.120 0.011 0.000 0.205 407 V C 2.124 178.175 176.094 -0.071 0.000 1.320 407 V CA 0.137 62.391 62.300 -0.077 0.000 1.306 407 V CB -0.125 31.721 31.823 0.038 0.000 1.267 407 V HN -0.192 nan 8.190 nan 0.000 0.538 408 V N 0.085 119.957 119.914 -0.069 0.000 2.332 408 V HA -0.288 3.838 4.120 0.011 0.000 0.248 408 V C 2.461 178.518 176.094 -0.061 0.000 1.055 408 V CA 2.595 64.870 62.300 -0.042 0.000 1.038 408 V CB -0.700 31.126 31.823 0.005 0.000 0.651 408 V HN 0.680 nan 8.190 nan 0.000 0.450 409 c N -0.668 117.879 118.600 -0.088 0.000 2.486 409 c HA 0.043 4.619 4.570 0.011 0.000 0.279 409 c C 0.544 174.600 174.090 -0.058 0.000 1.302 409 c CA 0.739 57.046 56.329 -0.038 0.000 1.720 409 c CB -1.652 40.857 42.510 -0.000 0.000 2.030 409 c HN 0.458 nan 8.230 nan 0.000 0.490 410 P HA -0.081 nan 4.420 nan 0.000 0.216 410 P C 1.711 178.947 177.300 -0.107 0.000 1.150 410 P CA 1.377 64.405 63.100 -0.120 0.000 0.837 410 P CB -0.135 31.459 31.700 -0.176 0.000 0.786 411 V N 0.033 119.886 119.914 -0.102 0.000 2.358 411 V HA -0.237 3.890 4.120 0.011 0.000 0.246 411 V C 2.445 178.440 176.094 -0.164 0.000 1.047 411 V CA 2.205 64.431 62.300 -0.123 0.000 1.035 411 V CB -1.664 30.090 31.823 -0.115 0.000 0.658 411 V HN 0.098 nan 8.190 nan 0.000 0.452 412 A N -0.398 122.341 122.820 -0.135 0.000 1.902 412 A HA -0.318 4.009 4.320 0.011 0.000 0.217 412 A C 2.200 179.739 177.584 -0.076 0.000 1.181 412 A CA 2.249 54.209 52.037 -0.127 0.000 0.623 412 A CB -0.516 18.461 19.000 -0.037 0.000 0.818 412 A HN 0.610 nan 8.150 nan 0.000 0.443 413 Q N -0.732 119.040 119.800 -0.047 0.000 2.050 413 Q HA -0.144 4.203 4.340 0.011 0.000 0.202 413 Q C 1.906 177.876 176.000 -0.051 0.000 0.980 413 Q CA 1.783 57.572 55.803 -0.022 0.000 0.840 413 Q CB -0.402 28.324 28.738 -0.019 0.000 0.898 413 Q HN 0.496 nan 8.270 nan 0.000 0.424 414 L N 0.460 121.626 121.223 -0.096 0.000 1.989 414 L HA -0.122 4.225 4.340 0.011 0.000 0.211 414 L C 2.258 179.041 176.870 -0.144 0.000 1.071 414 L CA 2.420 57.187 54.840 -0.123 0.000 0.749 414 L CB -1.113 40.861 42.059 -0.141 0.000 0.890 414 L HN 0.323 nan 8.230 nan 0.000 0.431 415 A N -0.598 122.096 122.820 -0.209 0.000 1.908 415 A HA -0.126 4.201 4.320 0.011 0.000 0.218 415 A C 2.347 179.885 177.584 -0.077 0.000 1.181 415 A CA 1.755 53.613 52.037 -0.298 0.000 0.627 415 A CB -1.674 16.871 19.000 -0.757 0.000 0.818 415 A HN 0.566 nan 8.150 nan 0.000 0.445 416 G N -0.776 108.046 108.800 0.037 0.000 2.418 416 G HA2 -0.215 3.752 3.960 0.011 0.000 0.217 416 G HA3 -0.215 3.752 3.960 0.011 0.000 0.217 416 G C 1.705 176.678 174.900 0.121 0.000 1.158 416 G CA 0.864 46.090 45.100 0.210 0.000 0.771 416 G HN 0.399 nan 8.290 nan 0.000 0.545 417 R N 0.232 120.766 120.500 0.058 0.000 2.062 417 R HA 0.154 4.500 4.340 0.011 0.000 0.229 417 R C 2.710 179.060 176.300 0.083 0.000 1.128 417 R CA 0.459 56.601 56.100 0.071 0.000 0.960 417 R CB -1.264 29.070 30.300 0.057 0.000 0.855 417 R HN 0.396 nan 8.270 nan 0.000 0.432 418 L N 0.460 121.670 121.223 -0.022 0.000 2.013 418 L HA -0.192 4.155 4.340 0.011 0.000 0.212 418 L C 2.608 179.520 176.870 0.071 0.000 1.073 418 L CA 1.702 56.500 54.840 -0.069 0.000 0.753 418 L CB -0.801 41.129 42.059 -0.214 0.000 0.890 418 L HN 0.165 nan 8.230 nan 0.000 0.432 419 A N 0.013 122.887 122.820 0.090 0.000 1.902 419 A HA -0.133 4.194 4.320 0.011 0.000 0.217 419 A C 2.487 180.132 177.584 0.102 0.000 1.181 419 A CA 1.690 53.797 52.037 0.116 0.000 0.623 419 A CB -0.695 18.423 19.000 0.197 0.000 0.818 419 A HN 0.412 nan 8.150 nan 0.000 0.443 420 A N -1.313 121.571 122.820 0.108 0.000 2.067 420 A HA -0.062 4.264 4.320 0.011 0.000 0.219 420 A C 1.704 179.346 177.584 0.097 0.000 1.158 420 A CA 1.409 53.499 52.037 0.089 0.000 0.661 420 A CB -0.253 18.797 19.000 0.084 0.000 0.801 420 A HN 0.623 nan 8.150 nan 0.000 0.452 421 Q N -1.821 118.065 119.800 0.143 0.000 2.182 421 Q HA 0.401 4.747 4.340 0.011 0.000 0.270 421 Q C 0.710 176.814 176.000 0.174 0.000 0.861 421 Q CA 0.321 56.220 55.803 0.161 0.000 1.098 421 Q CB 0.673 29.550 28.738 0.231 0.000 1.188 421 Q HN 0.726 nan 8.270 nan 0.000 0.464 422 G N -0.160 108.719 108.800 0.132 0.000 2.195 422 G HA2 -0.240 3.727 3.960 0.011 0.000 0.224 422 G HA3 -0.240 3.727 3.960 0.011 0.000 0.224 422 G C 0.264 175.232 174.900 0.114 0.000 0.990 422 G CA -0.216 44.947 45.100 0.105 0.000 0.639 422 G HN 0.515 nan 8.290 nan 0.000 0.514 423 A N 0.069 122.973 122.820 0.140 0.000 2.371 423 A HA 0.756 5.082 4.320 0.011 0.000 0.257 423 A C 0.586 178.205 177.584 0.058 0.000 1.089 423 A CA 0.228 52.331 52.037 0.110 0.000 0.794 423 A CB 0.382 19.433 19.000 0.084 0.000 1.029 423 A HN 0.640 nan 8.150 nan 0.000 0.488 424 R N 1.555 122.087 120.500 0.052 0.000 2.248 424 R HA 0.472 4.819 4.340 0.011 0.000 0.328 424 R C -1.281 175.002 176.300 -0.028 0.000 1.067 424 R CA 0.014 56.108 56.100 -0.009 0.000 0.924 424 R CB 0.333 30.660 30.300 0.045 0.000 1.013 424 R HN 0.477 nan 8.270 nan 0.000 0.454 425 V N 5.711 125.535 119.914 -0.149 0.000 2.604 425 V HA 0.406 4.533 4.120 0.011 0.000 0.305 425 V C -1.063 174.846 176.094 -0.309 0.000 1.043 425 V CA -0.794 61.439 62.300 -0.111 0.000 0.888 425 V CB 1.583 33.401 31.823 -0.009 0.000 0.995 425 V HN 0.645 nan 8.190 nan 0.000 0.429 426 Y N 2.036 122.305 120.300 -0.053 0.000 2.409 426 Y HA 0.808 5.363 4.550 0.009 0.000 0.343 426 Y C 0.302 176.307 175.900 0.174 0.000 0.973 426 Y CA -0.560 57.525 58.100 -0.026 0.000 1.064 426 Y CB 2.274 40.358 38.460 -0.626 0.000 1.207 426 Y HN 0.771 nan 8.280 nan 0.000 0.452 427 A N 2.893 126.112 122.820 0.666 0.000 2.435 427 A HA 0.860 5.187 4.320 0.011 0.000 0.304 427 A C -1.912 176.042 177.584 0.616 0.000 1.064 427 A CA -0.711 51.590 52.037 0.439 0.000 0.727 427 A CB 1.115 20.210 19.000 0.159 0.000 1.284 427 A HN 0.750 nan 8.150 nan 0.000 0.415 428 Y N -0.491 120.038 120.300 0.382 0.000 2.615 428 Y HA 0.807 5.363 4.550 0.009 0.000 0.341 428 Y C -1.172 174.920 175.900 0.320 0.000 1.089 428 Y CA -1.630 56.641 58.100 0.285 0.000 1.049 428 Y CB 1.363 39.968 38.460 0.242 0.000 1.296 428 Y HN 0.703 nan 8.280 nan 0.000 0.470 429 I N 3.266 124.154 120.570 0.529 0.000 2.466 429 I HA 0.452 4.628 4.170 0.011 0.000 0.289 429 I C -1.845 174.613 176.117 0.567 0.000 1.026 429 I CA -1.039 60.548 61.300 0.478 0.000 1.078 429 I CB 1.142 39.377 38.000 0.391 0.000 1.249 429 I HN 0.753 nan 8.210 nan 0.000 0.429 430 F N 7.344 127.591 119.950 0.494 0.000 2.391 430 F HA 0.389 4.923 4.527 0.012 0.000 0.359 430 F C 0.492 176.455 175.800 0.272 0.000 1.122 430 F CA 0.039 58.270 58.000 0.384 0.000 1.120 430 F CB 0.874 40.125 39.000 0.418 0.000 1.142 430 F HN 0.534 nan 8.300 nan 0.000 0.483 431 E N 3.078 123.172 120.200 -0.177 0.000 2.660 431 E HA -0.004 4.353 4.350 0.011 0.000 0.216 431 E C -0.798 175.686 176.600 -0.193 0.000 0.986 431 E CA -0.205 56.151 56.400 -0.075 0.000 1.037 431 E CB 0.279 29.963 29.700 -0.027 0.000 1.041 431 E HN 0.512 nan 8.360 nan 0.000 0.480 432 H N 1.880 120.586 119.070 -0.606 0.000 2.604 432 H HA 0.218 4.780 4.556 0.010 0.000 0.306 432 H C -0.339 174.935 175.328 -0.089 0.000 1.075 432 H CA -0.555 55.222 56.048 -0.451 0.000 1.357 432 H CB 0.550 29.850 29.762 -0.770 0.000 1.426 432 H HN -0.120 nan 8.280 nan 0.000 0.470 433 R N 4.217 124.361 120.500 -0.594 0.000 2.267 433 R HA 0.462 4.809 4.340 0.011 0.000 0.319 433 R C -0.570 175.456 176.300 -0.456 0.000 1.067 433 R CA -0.522 55.387 56.100 -0.318 0.000 0.936 433 R CB 0.303 30.503 30.300 -0.167 0.000 1.006 433 R HN 0.791 nan 8.270 nan 0.000 0.452 434 A N 3.140 125.995 122.820 0.058 0.000 2.511 434 A HA 0.025 4.352 4.320 0.011 0.000 0.242 434 A C 1.365 179.037 177.584 0.147 0.000 1.069 434 A CA 0.422 52.688 52.037 0.382 0.000 0.763 434 A CB 0.386 19.743 19.000 0.596 0.000 1.001 434 A HN 1.029 nan 8.150 nan 0.000 0.498 435 S N 1.337 117.160 115.700 0.205 0.000 2.419 435 S HA -0.172 4.305 4.470 0.011 0.000 0.233 435 S C 1.354 175.929 174.600 -0.040 0.000 1.016 435 S CA 1.754 59.996 58.200 0.070 0.000 0.974 435 S CB -0.858 62.403 63.200 0.101 0.000 0.786 435 S HN 1.262 nan 8.310 nan 0.000 0.492 436 T N -0.955 113.531 114.554 -0.114 0.000 3.107 436 T HA 0.371 4.728 4.350 0.011 0.000 0.249 436 T C 0.352 174.959 174.700 -0.155 0.000 1.096 436 T CA -0.543 61.428 62.100 -0.214 0.000 1.012 436 T CB -0.484 68.114 68.868 -0.450 0.000 0.977 436 T HN 0.224 nan 8.240 nan 0.000 0.527 437 L N 3.775 124.944 121.223 -0.089 0.000 2.490 437 L HA 0.254 4.601 4.340 0.011 0.000 0.274 437 L C 1.569 178.357 176.870 -0.136 0.000 1.201 437 L CA 0.883 55.652 54.840 -0.119 0.000 0.869 437 L CB 0.906 42.899 42.059 -0.110 0.000 1.123 437 L HN 0.442 nan 8.230 nan 0.000 0.484 438 T N -1.238 113.189 114.554 -0.210 0.000 3.023 438 T HA 0.135 4.491 4.350 0.011 0.000 0.253 438 T C 0.291 174.929 174.700 -0.103 0.000 1.038 438 T CA -0.483 61.494 62.100 -0.205 0.000 0.962 438 T CB -0.290 68.338 68.868 -0.400 0.000 1.018 438 T HN 0.370 nan 8.240 nan 0.000 0.521 439 W N 3.539 124.828 121.300 -0.018 0.000 2.150 439 W HA 0.419 5.086 4.660 0.012 0.000 0.341 439 W C -2.044 174.380 176.519 -0.159 0.000 1.276 439 W CA -2.077 55.237 57.345 -0.052 0.000 1.238 439 W CB 0.208 29.566 29.460 -0.170 0.000 1.128 439 W HN -0.021 nan 8.180 nan 0.000 0.581 440 P HA 0.043 nan 4.420 nan 0.000 0.274 440 P C 0.518 177.743 177.300 -0.124 0.000 1.237 440 P CA -0.089 62.971 63.100 -0.066 0.000 0.793 440 P CB 0.935 32.593 31.700 -0.070 0.000 0.977 441 L N 0.512 121.729 121.223 -0.010 0.000 2.129 441 L HA -0.156 4.191 4.340 0.011 0.000 0.212 441 L C 2.512 179.425 176.870 0.071 0.000 1.087 441 L CA 1.546 56.403 54.840 0.027 0.000 0.757 441 L CB -0.840 41.262 42.059 0.071 0.000 0.896 441 L HN 0.615 nan 8.230 nan 0.000 0.434 442 W N -1.063 120.286 121.300 0.082 0.000 2.465 442 W HA -0.151 4.515 4.660 0.010 0.000 0.268 442 W C 1.735 178.317 176.519 0.106 0.000 1.242 442 W CA 0.484 57.881 57.345 0.087 0.000 1.248 442 W CB -0.751 28.763 29.460 0.091 0.000 1.118 442 W HN 0.178 nan 8.180 nan 0.000 0.587 443 M N 1.320 120.653 119.600 -0.446 0.000 2.562 443 M HA 0.111 4.598 4.480 0.011 0.000 0.257 443 M C 1.841 178.087 176.300 -0.092 0.000 1.099 443 M CA 1.497 56.532 55.300 -0.442 0.000 1.099 443 M CB -0.607 31.584 32.600 -0.682 0.000 1.427 443 M HN 0.221 nan 8.290 nan 0.000 0.489 444 G N 0.654 109.441 108.800 -0.020 0.000 2.565 444 G HA2 -0.295 3.672 3.960 0.011 0.000 0.295 444 G HA3 -0.295 3.672 3.960 0.011 0.000 0.295 444 G C -0.087 174.837 174.900 0.040 0.000 1.165 444 G CA -0.068 45.058 45.100 0.042 0.000 0.977 444 G HN 0.243 nan 8.290 nan 0.000 0.546 445 V N 3.707 123.686 119.914 0.109 0.000 2.259 445 V HA 0.472 4.598 4.120 0.011 0.000 0.267 445 V C -1.842 174.399 176.094 0.244 0.000 1.051 445 V CA -0.835 61.579 62.300 0.190 0.000 0.830 445 V CB 1.144 33.131 31.823 0.273 0.000 1.080 445 V HN 0.521 nan 8.190 nan 0.000 0.467 446 P HA 0.149 nan 4.420 nan 0.000 0.274 446 P C -0.194 177.369 177.300 0.439 0.000 1.246 446 P CA -0.465 62.798 63.100 0.271 0.000 0.795 446 P CB 0.356 32.107 31.700 0.085 0.000 1.006 447 H N 0.709 119.965 119.070 0.309 0.000 3.216 447 H HA 0.224 4.787 4.556 0.010 0.000 0.283 447 H C 1.536 176.902 175.328 0.063 0.000 0.921 447 H CA 2.344 58.548 56.048 0.260 0.000 1.419 447 H CB -0.859 29.128 29.762 0.375 0.000 1.460 447 H HN 0.736 nan 8.280 nan 0.000 0.553 448 G N 3.556 112.243 108.800 -0.189 0.000 2.238 448 G HA2 -0.295 3.672 3.960 0.011 0.000 0.217 448 G HA3 -0.295 3.672 3.960 0.011 0.000 0.217 448 G C 0.619 175.440 174.900 -0.132 0.000 0.996 448 G CA 0.239 45.163 45.100 -0.293 0.000 0.632 448 G HN 0.622 nan 8.290 nan 0.000 0.503 449 Y N 1.748 122.172 120.300 0.206 0.000 2.470 449 Y HA 0.237 4.793 4.550 0.010 0.000 0.284 449 Y C 2.347 178.391 175.900 0.240 0.000 1.188 449 Y CA 0.952 59.218 58.100 0.277 0.000 1.269 449 Y CB 0.448 39.091 38.460 0.305 0.000 1.094 449 Y HN 0.492 nan 8.280 nan 0.000 0.518 450 E N 0.245 120.438 120.200 -0.012 0.000 2.340 450 E HA -0.066 4.291 4.350 0.011 0.000 0.194 450 E C 1.586 178.098 176.600 -0.146 0.000 0.996 450 E CA 0.696 56.760 56.400 -0.560 0.000 0.869 450 E CB -0.353 28.580 29.700 -1.278 0.000 0.835 450 E HN 0.546 nan 8.360 nan 0.000 0.493 451 I N 2.828 123.399 120.570 0.003 0.000 2.179 451 I HA -0.285 3.891 4.170 0.011 0.000 0.242 451 I C 2.706 178.827 176.117 0.007 0.000 1.088 451 I CA 1.981 63.315 61.300 0.057 0.000 1.357 451 I CB -0.496 37.600 38.000 0.159 0.000 1.051 451 I HN 0.196 nan 8.210 nan 0.000 0.409 452 E N 1.158 121.311 120.200 -0.079 0.000 2.209 452 E HA -0.239 4.118 4.350 0.011 0.000 0.196 452 E C 2.002 178.371 176.600 -0.386 0.000 0.993 452 E CA 1.505 57.752 56.400 -0.255 0.000 0.819 452 E CB -0.519 29.003 29.700 -0.296 0.000 0.745 452 E HN 0.461 nan 8.360 nan 0.000 0.477 453 F N 1.171 121.012 119.950 -0.182 0.000 2.187 453 F HA -0.041 4.494 4.527 0.014 0.000 0.295 453 F C 2.329 177.902 175.800 -0.378 0.000 1.091 453 F CA 0.439 58.278 58.000 -0.270 0.000 1.308 453 F CB -0.139 38.780 39.000 -0.135 0.000 1.030 453 F HN -0.039 nan 8.300 nan 0.000 0.487 454 I N -0.473 119.939 120.570 -0.264 0.000 2.163 454 I HA -0.297 3.879 4.170 0.011 0.000 0.243 454 I C 2.162 178.041 176.117 -0.397 0.000 1.085 454 I CA 1.662 62.646 61.300 -0.526 0.000 1.347 454 I CB -1.588 35.999 38.000 -0.688 0.000 1.044 454 I HN 0.073 nan 8.210 nan 0.000 0.408 455 F N 0.887 120.650 119.950 -0.312 0.000 2.661 455 F HA 0.169 4.702 4.527 0.011 0.000 0.298 455 F C 1.928 177.579 175.800 -0.248 0.000 1.137 455 F CA 0.959 58.816 58.000 -0.239 0.000 1.454 455 F CB -0.379 38.467 39.000 -0.257 0.000 1.103 455 F HN 0.318 nan 8.300 nan 0.000 0.577 456 G N -0.180 108.460 108.800 -0.266 0.000 2.132 456 G HA2 -0.294 3.673 3.960 0.011 0.000 0.234 456 G HA3 -0.294 3.673 3.960 0.011 0.000 0.234 456 G C 0.979 175.271 174.900 -1.013 0.000 0.989 456 G CA 0.298 45.117 45.100 -0.468 0.000 0.676 456 G HN 0.295 nan 8.290 nan 0.000 0.522 457 L N 0.526 121.177 121.223 -0.954 0.000 2.043 457 L HA 0.001 4.348 4.340 0.011 0.000 0.212 457 L C 0.523 176.839 176.870 -0.924 0.000 1.075 457 L CA 2.876 57.090 54.840 -1.043 0.000 0.752 457 L CB -1.019 40.685 42.059 -0.591 0.000 0.891 457 L HN 0.221 nan 8.230 nan 0.000 0.432 458 P HA -0.178 nan 4.420 nan 0.000 0.222 458 P C 1.601 178.655 177.300 -0.409 0.000 1.142 458 P CA 0.936 63.475 63.100 -0.936 0.000 0.788 458 P CB 0.031 31.161 31.700 -0.950 0.000 0.767 459 L N -1.202 119.746 121.223 -0.458 0.000 2.275 459 L HA -0.050 4.297 4.340 0.011 0.000 0.215 459 L C 0.963 177.772 176.870 -0.101 0.000 1.119 459 L CA 1.224 55.924 54.840 -0.233 0.000 0.790 459 L CB -1.244 40.706 42.059 -0.180 0.000 0.919 459 L HN -0.029 nan 8.230 nan 0.000 0.443 460 D N 0.124 120.436 120.400 -0.147 0.000 2.344 460 D HA 0.058 4.704 4.640 0.011 0.000 0.253 460 D C -1.610 174.709 176.300 0.033 0.000 1.255 460 D CA -1.841 52.184 54.000 0.043 0.000 0.894 460 D CB 1.473 42.334 40.800 0.101 0.000 1.067 460 D HN 0.020 nan 8.370 nan 0.000 0.492 461 P HA -0.106 nan 4.420 nan 0.000 0.223 461 P C 1.290 178.605 177.300 0.024 0.000 1.151 461 P CA 0.669 63.788 63.100 0.032 0.000 0.787 461 P CB 0.031 31.746 31.700 0.025 0.000 0.788 462 S N -0.594 115.119 115.700 0.021 0.000 2.469 462 S HA -0.077 4.400 4.470 0.011 0.000 0.238 462 S C 1.697 176.289 174.600 -0.015 0.000 0.998 462 S CA 0.806 59.007 58.200 0.001 0.000 0.957 462 S CB -1.467 61.734 63.200 0.001 0.000 0.764 462 S HN 0.124 nan 8.310 nan 0.000 0.514 463 L N 0.438 121.666 121.223 0.008 0.000 2.558 463 L HA 0.203 4.550 4.340 0.011 0.000 0.225 463 L C 0.298 177.094 176.870 -0.123 0.000 1.128 463 L CA 0.020 54.845 54.840 -0.026 0.000 0.868 463 L CB -0.669 41.444 42.059 0.090 0.000 1.006 463 L HN 0.231 nan 8.230 nan 0.000 0.454 464 N N -1.748 116.922 118.700 -0.050 0.000 2.818 464 N HA -0.213 4.534 4.740 0.011 0.000 0.250 464 N C -0.433 175.007 175.510 -0.117 0.000 1.108 464 N CA 0.741 53.739 53.050 -0.087 0.000 0.745 464 N CB -1.875 36.534 38.487 -0.131 0.000 1.104 464 N HN 0.285 nan 8.380 nan 0.000 0.557 465 Y N 0.989 121.266 120.300 -0.038 0.000 2.357 465 Y HA 0.174 4.731 4.550 0.011 0.000 0.340 465 Y C 2.034 177.948 175.900 0.023 0.000 1.260 465 Y CA 0.376 58.477 58.100 0.001 0.000 1.425 465 Y CB 0.422 38.868 38.460 -0.023 0.000 1.326 465 Y HN 0.105 nan 8.280 nan 0.000 0.580 466 T N -2.764 111.927 114.554 0.228 0.000 2.766 466 T HA 0.034 4.391 4.350 0.011 0.000 0.295 466 T C 1.139 175.914 174.700 0.124 0.000 1.024 466 T CA -0.280 61.904 62.100 0.140 0.000 1.018 466 T CB 0.804 69.746 68.868 0.124 0.000 1.002 466 T HN 0.717 nan 8.240 nan 0.000 0.532 467 T N 1.179 115.778 114.554 0.076 0.000 2.746 467 T HA -0.080 4.277 4.350 0.011 0.000 0.267 467 T C 1.821 176.554 174.700 0.054 0.000 1.039 467 T CA 1.884 64.017 62.100 0.054 0.000 1.142 467 T CB -0.439 68.450 68.868 0.034 0.000 0.866 467 T HN 0.789 nan 8.240 nan 0.000 0.444 468 E N 1.255 121.485 120.200 0.050 0.000 2.077 468 E HA -0.113 4.244 4.350 0.011 0.000 0.193 468 E C 2.217 178.853 176.600 0.061 0.000 0.989 468 E CA 1.033 57.448 56.400 0.024 0.000 0.800 468 E CB -0.170 29.519 29.700 -0.019 0.000 0.746 468 E HN 0.560 nan 8.360 nan 0.000 0.452 469 E N 0.453 120.730 120.200 0.128 0.000 2.110 469 E HA -0.171 4.186 4.350 0.011 0.000 0.193 469 E C 2.141 178.865 176.600 0.206 0.000 0.988 469 E CA 0.574 57.141 56.400 0.277 0.000 0.804 469 E CB -0.042 29.939 29.700 0.468 0.000 0.745 469 E HN 0.111 nan 8.360 nan 0.000 0.458 470 R N 0.785 121.339 120.500 0.089 0.000 2.075 470 R HA -0.121 4.226 4.340 0.011 0.000 0.232 470 R C 2.232 178.539 176.300 0.011 0.000 1.126 470 R CA 1.074 57.173 56.100 -0.003 0.000 0.963 470 R CB -0.151 30.146 30.300 -0.005 0.000 0.858 470 R HN 0.159 nan 8.270 nan 0.000 0.435 471 I N 0.259 120.857 120.570 0.047 0.000 2.252 471 I HA -0.260 3.917 4.170 0.011 0.000 0.245 471 I C 2.153 178.318 176.117 0.079 0.000 1.102 471 I CA 0.837 62.161 61.300 0.040 0.000 1.385 471 I CB -0.291 37.731 38.000 0.036 0.000 1.064 471 I HN 0.155 nan 8.210 nan 0.000 0.414 472 F N 1.912 121.828 119.950 -0.056 0.000 2.102 472 F HA -0.242 4.291 4.527 0.010 0.000 0.298 472 F C 2.429 178.221 175.800 -0.012 0.000 1.105 472 F CA 1.345 59.306 58.000 -0.066 0.000 1.239 472 F CB -0.663 38.248 39.000 -0.149 0.000 0.991 472 F HN 0.024 nan 8.300 nan 0.000 0.474 473 A N 0.031 122.807 122.820 -0.074 0.000 1.902 473 A HA -0.244 4.083 4.320 0.011 0.000 0.217 473 A C 2.161 179.620 177.584 -0.207 0.000 1.181 473 A CA 1.822 53.744 52.037 -0.192 0.000 0.623 473 A CB -0.925 17.971 19.000 -0.172 0.000 0.818 473 A HN 0.604 nan 8.150 nan 0.000 0.443 474 Q N -0.889 118.830 119.800 -0.136 0.000 2.096 474 Q HA -0.198 4.149 4.340 0.011 0.000 0.204 474 Q C 2.396 178.298 176.000 -0.163 0.000 0.982 474 Q CA 1.648 57.378 55.803 -0.121 0.000 0.850 474 Q CB -0.191 28.503 28.738 -0.073 0.000 0.901 474 Q HN 0.620 nan 8.270 nan 0.000 0.422 475 R N 0.273 120.662 120.500 -0.184 0.000 2.073 475 R HA -0.131 4.216 4.340 0.011 0.000 0.234 475 R C 2.299 178.334 176.300 -0.442 0.000 1.134 475 R CA 1.273 57.186 56.100 -0.312 0.000 0.952 475 R CB -0.258 29.931 30.300 -0.186 0.000 0.850 475 R HN 0.233 nan 8.270 nan 0.000 0.433 476 L N -0.144 120.901 121.223 -0.297 0.000 2.056 476 L HA -0.175 4.172 4.340 0.011 0.000 0.207 476 L C 2.524 179.346 176.870 -0.080 0.000 1.078 476 L CA 1.269 56.028 54.840 -0.136 0.000 0.749 476 L CB -0.318 41.504 42.059 -0.395 0.000 0.901 476 L HN 0.241 nan 8.230 nan 0.000 0.433 477 M N -0.606 118.889 119.600 -0.176 0.000 2.149 477 M HA -0.211 4.276 4.480 0.011 0.000 0.261 477 M C 2.298 178.590 176.300 -0.013 0.000 1.064 477 M CA 1.484 56.711 55.300 -0.122 0.000 1.102 477 M CB -0.194 32.325 32.600 -0.136 0.000 1.369 477 M HN -0.004 nan 8.290 nan 0.000 0.408 478 K N -0.070 120.293 120.400 -0.062 0.000 2.062 478 K HA -0.105 4.222 4.320 0.011 0.000 0.205 478 K C 1.566 178.217 176.600 0.085 0.000 1.051 478 K CA 1.668 57.928 56.287 -0.044 0.000 0.941 478 K CB -0.492 31.920 32.500 -0.147 0.000 0.719 478 K HN 0.259 nan 8.250 nan 0.000 0.440 479 Y N -0.814 119.607 120.300 0.203 0.000 2.145 479 Y HA -0.210 4.348 4.550 0.014 0.000 0.286 479 Y C 2.377 178.414 175.900 0.228 0.000 1.145 479 Y CA 1.045 59.297 58.100 0.254 0.000 1.148 479 Y CB -0.761 37.985 38.460 0.477 0.000 0.981 479 Y HN 0.185 nan 8.280 nan 0.000 0.507 480 W N 0.542 121.912 121.300 0.116 0.000 2.358 480 W HA -0.211 4.455 4.660 0.010 0.000 0.303 480 W C 2.408 178.926 176.519 -0.003 0.000 1.208 480 W CA 2.135 59.486 57.345 0.011 0.000 1.274 480 W CB -0.532 28.852 29.460 -0.127 0.000 1.138 480 W HN 0.222 nan 8.180 nan 0.000 0.515 481 T N -2.505 112.153 114.554 0.174 0.000 2.985 481 T HA -0.097 4.260 4.350 0.011 0.000 0.266 481 T C 1.382 176.108 174.700 0.043 0.000 1.076 481 T CA 0.963 63.098 62.100 0.059 0.000 1.135 481 T CB -0.504 68.376 68.868 0.020 0.000 0.890 481 T HN -0.093 nan 8.240 nan 0.000 0.480 482 N N 0.981 119.724 118.700 0.071 0.000 2.120 482 N HA 0.015 4.762 4.740 0.011 0.000 0.188 482 N C 1.325 176.827 175.510 -0.014 0.000 1.024 482 N CA 0.890 53.960 53.050 0.033 0.000 0.852 482 N CB -0.666 37.859 38.487 0.064 0.000 1.003 482 N HN 0.459 nan 8.380 nan 0.000 0.424 483 F N 1.662 121.528 119.950 -0.141 0.000 2.134 483 F HA -0.084 4.450 4.527 0.011 0.000 0.299 483 F C 2.147 177.871 175.800 -0.128 0.000 1.097 483 F CA 1.312 59.181 58.000 -0.220 0.000 1.264 483 F CB -0.454 38.327 39.000 -0.365 0.000 1.001 483 F HN 0.034 nan 8.300 nan 0.000 0.479 484 A N 0.569 123.319 122.820 -0.116 0.000 1.902 484 A HA -0.182 4.145 4.320 0.011 0.000 0.217 484 A C 2.372 179.857 177.584 -0.166 0.000 1.181 484 A CA 1.733 53.684 52.037 -0.144 0.000 0.623 484 A CB -0.696 18.284 19.000 -0.033 0.000 0.818 484 A HN 0.452 nan 8.150 nan 0.000 0.443 485 R N -1.197 119.232 120.500 -0.119 0.000 2.075 485 R HA -0.074 4.272 4.340 0.011 0.000 0.232 485 R C 1.956 178.177 176.300 -0.131 0.000 1.126 485 R CA 1.870 57.915 56.100 -0.092 0.000 0.963 485 R CB -0.213 30.056 30.300 -0.051 0.000 0.858 485 R HN 0.732 nan 8.270 nan 0.000 0.435 486 T N -5.690 108.755 114.554 -0.181 0.000 3.009 486 T HA 0.243 4.599 4.350 0.011 0.000 0.267 486 T C 1.126 175.693 174.700 -0.220 0.000 0.942 486 T CA 0.390 62.395 62.100 -0.158 0.000 0.883 486 T CB 1.383 70.194 68.868 -0.095 0.000 1.192 486 T HN 0.331 nan 8.240 nan 0.000 0.524 487 G N 1.264 109.799 108.800 -0.441 0.000 2.143 487 G HA2 -0.159 3.807 3.960 0.011 0.000 0.249 487 G HA3 -0.159 3.807 3.960 0.011 0.000 0.249 487 G C -0.367 174.439 174.900 -0.156 0.000 0.981 487 G CA 0.198 44.986 45.100 -0.520 0.000 0.665 487 G HN 0.811 nan 8.290 nan 0.000 0.528 488 D N -0.716 119.586 120.400 -0.163 0.000 2.736 488 D HA 0.443 5.089 4.640 0.011 0.000 0.243 488 D C -1.389 174.753 176.300 -0.264 0.000 1.304 488 D CA -1.531 52.335 54.000 -0.224 0.000 0.934 488 D CB 2.081 42.837 40.800 -0.072 0.000 1.382 488 D HN -0.006 nan 8.370 nan 0.000 0.571 489 P HA -0.039 nan 4.420 nan 0.000 0.229 489 P C 0.042 177.356 177.300 0.025 0.000 1.160 489 P CA 0.129 63.058 63.100 -0.284 0.000 0.777 489 P CB 0.421 31.649 31.700 -0.787 0.000 0.814 490 N N 1.470 120.145 118.700 -0.041 0.000 2.508 490 N HA 0.018 4.765 4.740 0.011 0.000 0.264 490 N C 0.068 175.643 175.510 0.109 0.000 1.216 490 N CA 0.349 53.472 53.050 0.123 0.000 0.943 490 N CB 0.611 39.159 38.487 0.101 0.000 1.113 490 N HN 0.060 nan 8.380 nan 0.000 0.447 491 D N 1.723 122.204 120.400 0.136 0.000 2.317 491 D HA 0.111 4.757 4.640 0.011 0.000 0.252 491 D C -1.328 175.014 176.300 0.070 0.000 1.174 491 D CA -1.553 52.498 54.000 0.085 0.000 0.866 491 D CB 1.512 42.358 40.800 0.077 0.000 1.127 491 D HN 0.280 nan 8.370 nan 0.000 0.467 492 P HA -0.154 nan 4.420 nan 0.000 0.216 492 P C 1.413 178.738 177.300 0.042 0.000 1.153 492 P CA 1.313 64.439 63.100 0.043 0.000 0.848 492 P CB 0.181 31.899 31.700 0.029 0.000 0.787 493 R N 0.603 121.125 120.500 0.037 0.000 2.075 493 R HA -0.110 4.237 4.340 0.011 0.000 0.232 493 R C 1.365 177.688 176.300 0.038 0.000 1.126 493 R CA 1.808 57.928 56.100 0.033 0.000 0.963 493 R CB -2.082 28.233 30.300 0.026 0.000 0.858 493 R HN 0.217 nan 8.270 nan 0.000 0.435 494 D N -0.055 120.373 120.400 0.047 0.000 2.508 494 D HA 0.351 4.998 4.640 0.011 0.000 0.224 494 D C 1.331 177.669 176.300 0.063 0.000 1.171 494 D CA 0.630 54.662 54.000 0.053 0.000 1.006 494 D CB 0.438 41.273 40.800 0.058 0.000 1.073 494 D HN 0.441 nan 8.370 nan 0.000 0.513 495 S N 2.876 118.608 115.700 0.054 0.000 2.368 495 S HA -0.154 4.323 4.470 0.011 0.000 0.224 495 S C 2.029 176.665 174.600 0.061 0.000 1.029 495 S CA 1.791 60.024 58.200 0.056 0.000 0.988 495 S CB -0.343 62.884 63.200 0.045 0.000 0.838 495 S HN 0.463 nan 8.310 nan 0.000 0.462 496 K N 0.829 121.262 120.400 0.054 0.000 2.228 496 K HA 0.392 4.718 4.320 0.011 0.000 0.202 496 K C 1.327 177.964 176.600 0.062 0.000 1.051 496 K CA 0.701 57.019 56.287 0.052 0.000 0.960 496 K CB -0.975 31.550 32.500 0.041 0.000 0.743 496 K HN 0.385 nan 8.250 nan 0.000 0.458 497 S N 1.939 117.683 115.700 0.073 0.000 2.558 497 S HA 0.192 4.668 4.470 0.011 0.000 0.291 497 S C -2.390 172.275 174.600 0.108 0.000 1.306 497 S CA -1.031 57.226 58.200 0.094 0.000 1.056 497 S CB 0.650 63.920 63.200 0.117 0.000 0.836 497 S HN 0.398 nan 8.310 nan 0.000 0.504 498 P HA 0.164 nan 4.420 nan 0.000 0.271 498 P C -0.520 176.864 177.300 0.140 0.000 1.216 498 P CA -0.371 62.789 63.100 0.100 0.000 0.776 498 P CB 0.431 32.174 31.700 0.072 0.000 0.881 499 Q N 1.056 120.940 119.800 0.140 0.000 2.312 499 Q HA 0.189 4.536 4.340 0.011 0.000 0.236 499 Q C -0.722 175.427 176.000 0.249 0.000 0.965 499 Q CA 0.105 56.023 55.803 0.192 0.000 0.894 499 Q CB 0.907 29.745 28.738 0.167 0.000 1.225 499 Q HN 0.567 nan 8.270 nan 0.000 0.478 500 W N 5.347 126.694 121.300 0.079 0.000 2.282 500 W HA 0.370 5.036 4.660 0.010 0.000 0.322 500 W C -2.572 174.082 176.519 0.225 0.000 1.011 500 W CA -2.718 54.684 57.345 0.094 0.000 1.392 500 W CB 0.619 30.062 29.460 -0.030 0.000 1.215 500 W HN 0.354 nan 8.180 nan 0.000 0.394 501 P HA 0.305 nan 4.420 nan 0.000 0.282 501 P C -2.583 174.939 177.300 0.371 0.000 1.249 501 P CA -1.732 61.591 63.100 0.372 0.000 0.806 501 P CB 0.826 32.657 31.700 0.220 0.000 0.984 502 P HA 0.021 nan 4.420 nan 0.000 0.267 502 P C -0.557 176.759 177.300 0.027 0.000 1.200 502 P CA 0.160 63.103 63.100 -0.261 0.000 0.772 502 P CB 0.050 31.536 31.700 -0.355 0.000 0.855 503 Y N 2.673 122.940 120.300 -0.055 0.000 2.465 503 Y HA 0.271 4.832 4.550 0.018 0.000 0.331 503 Y C 0.513 176.406 175.900 -0.012 0.000 1.102 503 Y CA 0.720 58.837 58.100 0.027 0.000 1.358 503 Y CB 0.117 38.608 38.460 0.051 0.000 1.213 503 Y HN 0.374 nan 8.280 nan 0.000 0.525 504 T N 0.180 114.531 114.554 -0.339 0.000 2.916 504 T HA 0.246 4.602 4.350 0.011 0.000 0.292 504 T C 0.991 175.472 174.700 -0.365 0.000 1.055 504 T CA -0.211 61.757 62.100 -0.219 0.000 1.009 504 T CB 1.342 70.139 68.868 -0.118 0.000 1.118 504 T HN 0.641 nan 8.240 nan 0.000 0.497 505 T N -0.674 113.794 114.554 -0.142 0.000 2.788 505 T HA -0.035 4.322 4.350 0.011 0.000 0.268 505 T C 2.286 176.924 174.700 -0.103 0.000 1.044 505 T CA 1.037 63.080 62.100 -0.095 0.000 1.139 505 T CB -0.897 67.973 68.868 0.005 0.000 0.867 505 T HN 0.854 nan 8.240 nan 0.000 0.454 506 A N 1.851 124.621 122.820 -0.084 0.000 1.858 506 A HA 0.398 4.725 4.320 0.011 0.000 0.216 506 A C 2.661 180.203 177.584 -0.070 0.000 1.190 506 A CA 1.944 53.947 52.037 -0.056 0.000 0.617 506 A CB -1.164 17.815 19.000 -0.035 0.000 0.827 506 A HN 0.826 nan 8.150 nan 0.000 0.443 507 A N -2.696 120.059 122.820 -0.108 0.000 2.229 507 A HA 0.336 4.662 4.320 0.011 0.000 0.211 507 A C 0.894 178.403 177.584 -0.125 0.000 1.193 507 A CA 0.798 52.785 52.037 -0.083 0.000 0.879 507 A CB -0.105 18.865 19.000 -0.051 0.000 0.911 507 A HN 0.508 nan 8.150 nan 0.000 0.492 508 Q N -0.048 119.556 119.800 -0.326 0.000 2.453 508 Q HA -0.230 4.117 4.340 0.011 0.000 0.294 508 Q C -0.694 175.263 176.000 -0.072 0.000 1.295 508 Q CA 0.729 56.224 55.803 -0.514 0.000 0.853 508 Q CB -1.701 26.935 28.738 -0.170 0.000 1.193 508 Q HN 0.840 nan 8.270 nan 0.000 0.461 509 Q N 0.239 120.032 119.800 -0.013 0.000 2.293 509 Q HA 0.501 4.848 4.340 0.011 0.000 0.251 509 Q C -0.333 175.950 176.000 0.471 0.000 0.930 509 Q CA -0.003 55.922 55.803 0.204 0.000 0.893 509 Q CB 0.620 29.427 28.738 0.116 0.000 1.215 509 Q HN 0.350 nan 8.270 nan 0.000 0.425 510 Y N -1.853 118.571 120.300 0.207 0.000 2.705 510 Y HA 0.728 5.288 4.550 0.017 0.000 0.332 510 Y C -1.334 174.578 175.900 0.019 0.000 1.221 510 Y CA -1.526 56.695 58.100 0.203 0.000 1.059 510 Y CB 0.533 39.122 38.460 0.216 0.000 1.298 510 Y HN 0.361 nan 8.280 nan 0.000 0.459 511 V N -0.574 119.251 119.914 -0.149 0.000 2.914 511 V HA 0.832 4.959 4.120 0.011 0.000 0.314 511 V C -0.329 175.647 176.094 -0.197 0.000 1.084 511 V CA -0.643 61.422 62.300 -0.392 0.000 0.963 511 V CB 1.304 32.662 31.823 -0.775 0.000 1.025 511 V HN 1.225 nan 8.190 nan 0.000 0.432 512 S N 3.655 119.245 115.700 -0.183 0.000 2.489 512 S HA 0.671 5.148 4.470 0.011 0.000 0.277 512 S C -0.408 174.161 174.600 -0.051 0.000 1.230 512 S CA -0.626 57.544 58.200 -0.050 0.000 1.053 512 S CB 0.475 63.639 63.200 -0.062 0.000 0.955 512 S HN 0.747 nan 8.310 nan 0.000 0.488 513 L N 4.427 125.677 121.223 0.045 0.000 2.272 513 L HA 0.475 4.822 4.340 0.011 0.000 0.284 513 L C -0.118 176.703 176.870 -0.082 0.000 1.045 513 L CA -0.427 54.480 54.840 0.112 0.000 0.842 513 L CB -0.282 41.944 42.059 0.280 0.000 1.224 513 L HN 0.912 nan 8.230 nan 0.000 0.430 514 N N 2.184 120.760 118.700 -0.208 0.000 3.439 514 N HA 0.344 5.091 4.740 0.011 0.000 0.313 514 N C 0.249 175.211 175.510 -0.913 0.000 1.598 514 N CA -0.961 51.689 53.050 -0.666 0.000 0.830 514 N CB 0.608 38.874 38.487 -0.368 0.000 1.849 514 N HN 0.167 nan 8.380 nan 0.000 0.598 515 L N -0.840 119.866 121.223 -0.862 0.000 2.275 515 L HA 0.094 4.440 4.340 0.011 0.000 0.215 515 L C 0.589 177.283 176.870 -0.293 0.000 1.119 515 L CA 0.886 55.333 54.840 -0.654 0.000 0.790 515 L CB -0.505 41.256 42.059 -0.496 0.000 0.919 515 L HN 0.371 nan 8.230 nan 0.000 0.443 516 K N 0.411 120.680 120.400 -0.220 0.000 2.168 516 K HA 0.261 4.588 4.320 0.011 0.000 0.258 516 K C -2.145 174.421 176.600 -0.058 0.000 1.010 516 K CA -1.906 54.315 56.287 -0.110 0.000 0.929 516 K CB -0.031 32.415 32.500 -0.089 0.000 0.998 516 K HN -0.205 nan 8.250 nan 0.000 0.479 517 P HA -0.042 nan 4.420 nan 0.000 0.269 517 P C -0.314 176.996 177.300 0.016 0.000 1.217 517 P CA -0.029 63.087 63.100 0.028 0.000 0.783 517 P CB 0.361 32.078 31.700 0.027 0.000 0.898 518 L N 1.415 122.667 121.223 0.049 0.000 2.615 518 L HA -0.056 4.290 4.340 0.011 0.000 0.284 518 L C 1.129 177.970 176.870 -0.048 0.000 1.237 518 L CA 0.866 55.695 54.840 -0.018 0.000 0.905 518 L CB -0.276 41.771 42.059 -0.020 0.000 1.149 518 L HN 0.513 nan 8.230 nan 0.000 0.499 519 E N 3.060 123.202 120.200 -0.097 0.000 2.222 519 E HA 0.448 4.804 4.350 0.011 0.000 0.267 519 E C -1.486 175.015 176.600 -0.165 0.000 0.884 519 E CA -0.810 55.530 56.400 -0.100 0.000 0.764 519 E CB 2.121 31.769 29.700 -0.086 0.000 1.169 519 E HN 0.289 nan 8.360 nan 0.000 0.413 520 V N 4.800 124.631 119.914 -0.138 0.000 2.432 520 V HA 0.437 4.564 4.120 0.011 0.000 0.275 520 V C 0.239 176.200 176.094 -0.222 0.000 1.043 520 V CA -0.357 61.841 62.300 -0.170 0.000 0.925 520 V CB 1.052 32.835 31.823 -0.068 0.000 0.985 520 V HN 0.682 nan 8.190 nan 0.000 0.466 521 R N 3.646 123.892 120.500 -0.424 0.000 2.892 521 R HA 0.762 5.109 4.340 0.011 0.000 0.265 521 R C -0.839 175.319 176.300 -0.236 0.000 1.025 521 R CA -1.080 54.764 56.100 -0.425 0.000 0.982 521 R CB 2.406 32.252 30.300 -0.757 0.000 1.185 521 R HN 0.562 nan 8.270 nan 0.000 0.484 522 R N -0.378 120.147 120.500 0.041 0.000 2.599 522 R HA 0.469 4.815 4.340 0.011 0.000 0.295 522 R C -0.870 175.629 176.300 0.332 0.000 0.963 522 R CA -0.095 56.119 56.100 0.190 0.000 0.883 522 R CB 2.229 32.583 30.300 0.090 0.000 1.171 522 R HN 0.888 nan 8.270 nan 0.000 0.450 523 G N 2.598 111.606 108.800 0.346 0.000 3.421 523 G HA2 -0.204 3.762 3.960 0.011 0.000 0.656 523 G HA3 -0.204 3.762 3.960 0.011 0.000 0.656 523 G C -1.175 173.858 174.900 0.223 0.000 1.007 523 G CA -0.859 44.389 45.100 0.247 0.000 0.811 523 G HN 0.376 nan 8.290 nan 0.000 0.433 524 L N 4.354 125.611 121.223 0.056 0.000 2.356 524 L HA 0.509 4.856 4.340 0.011 0.000 0.282 524 L C 1.581 178.440 176.870 -0.018 0.000 1.132 524 L CA -0.401 54.315 54.840 -0.206 0.000 0.923 524 L CB -0.454 41.431 42.059 -0.290 0.000 1.278 524 L HN 0.692 nan 8.230 nan 0.000 0.436 525 R N 3.010 123.539 120.500 0.048 0.000 3.322 525 R HA -0.276 4.071 4.340 0.011 0.000 0.253 525 R C 1.277 177.661 176.300 0.139 0.000 0.987 525 R CA 0.718 56.888 56.100 0.116 0.000 0.666 525 R CB -2.055 28.323 30.300 0.130 0.000 1.072 525 R HN 0.780 nan 8.270 nan 0.000 0.447 526 A N 0.380 123.279 122.820 0.131 0.000 1.877 526 A HA -0.260 4.067 4.320 0.011 0.000 0.216 526 A C 2.067 179.736 177.584 0.142 0.000 1.186 526 A CA 1.690 53.807 52.037 0.132 0.000 0.620 526 A CB -0.183 18.889 19.000 0.121 0.000 0.822 526 A HN 0.406 nan 8.150 nan 0.000 0.443 527 Q N -0.720 119.163 119.800 0.139 0.000 2.050 527 Q HA -0.095 4.252 4.340 0.011 0.000 0.202 527 Q C 2.183 178.294 176.000 0.186 0.000 0.980 527 Q CA 2.402 58.290 55.803 0.143 0.000 0.840 527 Q CB -0.839 27.973 28.738 0.124 0.000 0.898 527 Q HN 0.596 nan 8.270 nan 0.000 0.424 528 T N -0.915 113.777 114.554 0.230 0.000 2.867 528 T HA -0.114 4.243 4.350 0.011 0.000 0.268 528 T C 1.759 176.685 174.700 0.377 0.000 1.057 528 T CA 1.226 63.504 62.100 0.297 0.000 1.136 528 T CB -0.353 68.733 68.868 0.363 0.000 0.874 528 T HN 0.349 nan 8.240 nan 0.000 0.466 529 c N 1.408 120.204 118.600 0.327 0.000 2.468 529 c HA 0.331 4.907 4.570 0.011 0.000 0.277 529 c C 3.055 177.301 174.090 0.259 0.000 1.400 529 c CA -0.101 56.430 56.329 0.337 0.000 1.770 529 c CB -1.296 41.343 42.510 0.215 0.000 1.905 529 c HN 0.633 nan 8.230 nan 0.000 0.519 530 A N 0.112 123.052 122.820 0.199 0.000 1.930 530 A HA -0.156 4.170 4.320 0.011 0.000 0.217 530 A C 1.833 179.507 177.584 0.149 0.000 1.175 530 A CA 1.350 53.478 52.037 0.152 0.000 0.627 530 A CB -0.732 18.342 19.000 0.122 0.000 0.815 530 A HN 0.551 nan 8.150 nan 0.000 0.443 531 F N -0.737 119.191 119.950 -0.038 0.000 2.069 531 F HA -0.195 4.337 4.527 0.010 0.000 0.298 531 F C 1.942 177.685 175.800 -0.095 0.000 1.113 531 F CA 1.975 59.860 58.000 -0.191 0.000 1.214 531 F CB -0.459 38.137 39.000 -0.673 0.000 0.978 531 F HN 0.372 nan 8.300 nan 0.000 0.474 532 W N 0.441 121.773 121.300 0.054 0.000 2.418 532 W HA -0.075 4.591 4.660 0.009 0.000 0.292 532 W C 2.052 178.531 176.519 -0.068 0.000 1.213 532 W CA 0.864 58.186 57.345 -0.038 0.000 1.283 532 W CB -0.465 29.085 29.460 0.149 0.000 1.119 532 W HN -0.031 nan 8.180 nan 0.000 0.542 533 N N -0.522 118.302 118.700 0.207 0.000 2.356 533 N HA 0.073 4.819 4.740 0.011 0.000 0.178 533 N C 1.378 176.917 175.510 0.047 0.000 1.075 533 N CA 0.723 53.842 53.050 0.115 0.000 0.889 533 N CB 0.017 38.573 38.487 0.115 0.000 0.999 533 N HN 0.253 nan 8.380 nan 0.000 0.464 534 R N -1.451 119.071 120.500 0.037 0.000 2.320 534 R HA 0.239 4.586 4.340 0.011 0.000 0.193 534 R C 1.332 177.631 176.300 -0.003 0.000 0.885 534 R CA -0.102 56.014 56.100 0.026 0.000 1.085 534 R CB -0.139 30.201 30.300 0.066 0.000 1.253 534 R HN 0.007 nan 8.270 nan 0.000 0.636 535 F N 1.720 121.567 119.950 -0.172 0.000 2.123 535 F HA 0.097 4.630 4.527 0.011 0.000 0.289 535 F C 1.868 177.486 175.800 -0.304 0.000 1.099 535 F CA 1.086 58.948 58.000 -0.230 0.000 1.234 535 F CB -0.242 38.599 39.000 -0.265 0.000 1.034 535 F HN -0.158 nan 8.300 nan 0.000 0.479 536 L N 0.667 121.511 121.223 -0.632 0.000 2.013 536 L HA -0.190 4.157 4.340 0.011 0.000 0.212 536 L C -0.338 176.266 176.870 -0.443 0.000 1.073 536 L CA 2.043 56.487 54.840 -0.659 0.000 0.753 536 L CB -2.152 39.587 42.059 -0.534 0.000 0.890 536 L HN 0.146 nan 8.230 nan 0.000 0.432 537 P HA -0.214 nan 4.420 nan 0.000 0.215 537 P C 1.260 178.418 177.300 -0.237 0.000 1.157 537 P CA 1.533 64.519 63.100 -0.191 0.000 0.874 537 P CB -0.061 31.570 31.700 -0.116 0.000 0.790 538 K N -1.281 118.935 120.400 -0.307 0.000 2.442 538 K HA -0.076 4.250 4.320 0.011 0.000 0.198 538 K C 1.101 177.486 176.600 -0.358 0.000 1.044 538 K CA 0.548 56.659 56.287 -0.293 0.000 0.948 538 K CB -0.452 31.896 32.500 -0.254 0.000 0.762 538 K HN 0.093 nan 8.250 nan 0.000 0.472 539 L N 1.227 122.154 121.223 -0.494 0.000 2.783 539 L HA 0.110 4.456 4.340 0.011 0.000 0.236 539 L C 0.696 177.431 176.870 -0.225 0.000 1.225 539 L CA 0.275 54.887 54.840 -0.380 0.000 1.026 539 L CB 0.236 41.982 42.059 -0.521 0.000 1.314 539 L HN 0.070 nan 8.230 nan 0.000 0.489 540 L N -4.817 116.297 121.223 -0.181 0.000 2.878 540 L HA 0.515 4.861 4.340 0.011 0.000 0.253 540 L C 0.844 177.660 176.870 -0.090 0.000 1.135 540 L CA 0.158 54.929 54.840 -0.114 0.000 0.943 540 L CB -0.057 41.945 42.059 -0.095 0.000 1.307 540 L HN -0.060 nan 8.230 nan 0.000 0.545 541 S N 0.000 115.640 115.700 -0.100 0.000 2.498 541 S HA 0.000 4.477 4.470 0.011 0.000 0.327 541 S CA 0.000 58.155 58.200 -0.075 0.000 1.107 541 S CB 0.000 63.157 63.200 -0.072 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517