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 2xuo_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 LARLVGcPPX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSAFLV 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 0.000 176.611 176.600 0.019 0.000 1.382 1 E CA 0.000 56.415 56.400 0.025 0.000 0.976 1 E CB 0.000 29.717 29.700 0.029 0.000 0.812 2 G N 2.063 110.873 108.800 0.017 0.000 2.535 2 G HA2 0.062 4.029 3.960 0.011 0.000 0.200 2 G HA3 0.062 4.029 3.960 0.011 0.000 0.200 2 G C 0.761 175.670 174.900 0.014 0.000 1.388 2 G CA -0.248 44.860 45.100 0.013 0.000 0.720 2 G HN 0.299 nan 8.290 nan 0.000 0.598 3 R N 1.440 121.949 120.500 0.014 0.000 2.546 3 R HA 0.303 4.650 4.340 0.011 0.000 0.320 3 R C -0.219 176.093 176.300 0.019 0.000 1.021 3 R CA -0.124 55.985 56.100 0.015 0.000 1.088 3 R CB 0.599 30.905 30.300 0.011 0.000 1.278 3 R HN 0.457 nan 8.270 nan 0.000 0.557 4 E N 1.420 121.634 120.200 0.023 0.000 2.392 4 E HA -0.028 4.329 4.350 0.011 0.000 0.259 4 E C -0.376 176.248 176.600 0.040 0.000 1.108 4 E CA -0.256 56.162 56.400 0.030 0.000 0.916 4 E CB 0.636 30.356 29.700 0.034 0.000 0.989 4 E HN -0.091 nan 8.360 nan 0.000 0.432 5 D N 2.630 123.061 120.400 0.052 0.000 2.346 5 D HA 0.030 4.676 4.640 0.011 0.000 0.260 5 D C -1.818 174.524 176.300 0.071 0.000 1.252 5 D CA -2.076 51.969 54.000 0.075 0.000 0.895 5 D CB 0.960 41.827 40.800 0.113 0.000 1.097 5 D HN 0.052 nan 8.370 nan 0.000 0.489 6 P HA -0.169 nan 4.420 nan 0.000 0.221 6 P C 0.837 178.150 177.300 0.023 0.000 1.141 6 P CA 0.978 64.094 63.100 0.028 0.000 0.794 6 P CB 0.291 31.995 31.700 0.007 0.000 0.764 7 Q N -1.292 118.520 119.800 0.019 0.000 2.392 7 Q HA 0.128 4.475 4.340 0.011 0.000 0.203 7 Q C 1.378 177.458 176.000 0.134 0.000 0.917 7 Q CA 0.582 56.375 55.803 -0.017 0.000 0.939 7 Q CB -0.400 28.170 28.738 -0.279 0.000 1.063 7 Q HN 0.225 nan 8.270 nan 0.000 0.516 8 L N -0.270 121.048 121.223 0.158 0.000 2.693 8 L HA 0.315 4.661 4.340 0.011 0.000 0.235 8 L C -0.363 176.687 176.870 0.301 0.000 1.127 8 L CA -0.100 54.859 54.840 0.199 0.000 0.914 8 L CB 0.449 42.551 42.059 0.071 0.000 1.193 8 L HN 0.040 nan 8.230 nan 0.000 0.502 9 L N 0.921 122.272 121.223 0.212 0.000 2.287 9 L HA 0.596 4.942 4.340 0.011 0.000 0.287 9 L C -0.797 176.128 176.870 0.093 0.000 1.022 9 L CA -0.500 54.440 54.840 0.167 0.000 0.814 9 L CB 1.954 44.069 42.059 0.094 0.000 1.217 9 L HN -0.254 nan 8.230 nan 0.000 0.420 10 V N 3.259 123.200 119.914 0.046 0.000 2.851 10 V HA 0.438 4.565 4.120 0.011 0.000 0.307 10 V C -0.528 175.488 176.094 -0.130 0.000 1.129 10 V CA -0.698 61.495 62.300 -0.178 0.000 0.932 10 V CB 2.825 34.306 31.823 -0.572 0.000 1.024 10 V HN 0.732 nan 8.190 nan 0.000 0.426 11 R N 2.487 122.885 120.500 -0.170 0.000 2.474 11 R HA 0.856 5.202 4.340 0.011 0.000 0.295 11 R C -0.749 175.456 176.300 -0.158 0.000 0.980 11 R CA -0.303 55.734 56.100 -0.105 0.000 0.934 11 R CB 1.809 32.048 30.300 -0.101 0.000 1.101 11 R HN 0.711 nan 8.270 nan 0.000 0.469 12 V N 1.463 121.347 119.914 -0.050 0.000 3.164 12 V HA 0.502 4.628 4.120 0.011 0.000 0.313 12 V C 0.854 176.888 176.094 -0.101 0.000 1.188 12 V CA -1.024 61.244 62.300 -0.053 0.000 1.058 12 V CB 1.616 33.560 31.823 0.203 0.000 1.110 12 V HN 0.843 nan 8.190 nan 0.000 0.453 13 R N 0.958 121.383 120.500 -0.124 0.000 2.193 13 R HA 0.078 4.424 4.340 0.011 0.000 0.229 13 R C 1.616 177.804 176.300 -0.187 0.000 1.110 13 R CA 2.157 58.174 56.100 -0.139 0.000 0.988 13 R CB -0.922 29.305 30.300 -0.121 0.000 0.871 13 R HN 1.036 nan 8.270 nan 0.000 0.458 14 G N -1.658 106.999 108.800 -0.238 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 0.296 174.235 174.900 -1.601 0.000 1.160 14 G CA 0.206 44.903 45.100 -0.671 0.000 0.770 14 G HN 0.690 nan 8.290 nan 0.000 0.543 15 G N -0.856 107.351 108.800 -0.988 0.000 2.315 15 G HA2 0.038 4.004 3.960 0.011 0.000 0.296 15 G HA3 0.038 4.004 3.960 0.011 0.000 0.296 15 G C -1.050 173.772 174.900 -0.129 0.000 1.289 15 G CA -0.966 43.634 45.100 -0.833 0.000 0.996 15 G HN 0.305 nan 8.290 nan 0.000 0.487 16 Q N -0.456 119.425 119.800 0.135 0.000 2.293 16 Q HA 0.663 5.009 4.340 0.011 0.000 0.251 16 Q C -0.240 176.049 176.000 0.483 0.000 0.930 16 Q CA -0.026 55.941 55.803 0.274 0.000 0.893 16 Q CB 1.249 30.097 28.738 0.182 0.000 1.215 16 Q HN 0.451 nan 8.270 nan 0.000 0.425 17 L N 1.871 123.300 121.223 0.342 0.000 2.381 17 L HA 0.603 4.949 4.340 0.011 0.000 0.268 17 L C -0.473 176.584 176.870 0.312 0.000 0.997 17 L CA -0.798 54.253 54.840 0.351 0.000 0.818 17 L CB 2.092 44.402 42.059 0.419 0.000 1.310 17 L HN 0.467 nan 8.230 nan 0.000 0.416 18 R N 1.011 121.664 120.500 0.255 0.000 2.310 18 R HA 0.608 4.954 4.340 0.011 0.000 0.324 18 R C -0.188 176.192 176.300 0.134 0.000 0.955 18 R CA -0.305 55.915 56.100 0.199 0.000 0.830 18 R CB 1.527 31.884 30.300 0.096 0.000 1.154 18 R HN 0.826 nan 8.270 nan 0.000 0.458 19 G N 3.376 112.199 108.800 0.037 0.000 2.532 19 G HA2 0.442 4.408 3.960 0.011 0.000 0.291 19 G HA3 0.442 4.408 3.960 0.011 0.000 0.291 19 G C -0.911 173.762 174.900 -0.379 0.000 1.349 19 G CA -0.696 44.075 45.100 -0.549 0.000 1.038 19 G HN 0.590 nan 8.290 nan 0.000 0.518 20 I N -0.848 119.447 120.570 -0.458 0.000 2.647 20 I HA 0.477 4.653 4.170 0.011 0.000 0.295 20 I C -0.351 175.630 176.117 -0.228 0.000 1.078 20 I CA -1.108 60.031 61.300 -0.268 0.000 1.048 20 I CB 2.175 40.027 38.000 -0.246 0.000 1.239 20 I HN 0.405 nan 8.210 nan 0.000 0.421 21 R N 7.939 128.347 120.500 -0.153 0.000 2.205 21 R HA 0.465 4.811 4.340 0.011 0.000 0.342 21 R C -1.583 174.608 176.300 -0.181 0.000 1.058 21 R CA -0.428 55.566 56.100 -0.176 0.000 0.904 21 R CB 0.345 30.505 30.300 -0.233 0.000 1.089 21 R HN 0.614 nan 8.270 nan 0.000 0.471 22 L N 4.245 125.382 121.223 -0.144 0.000 2.325 22 L HA 0.381 4.728 4.340 0.011 0.000 0.279 22 L C 0.245 177.045 176.870 -0.118 0.000 1.054 22 L CA -0.705 54.070 54.840 -0.108 0.000 0.804 22 L CB 1.565 43.597 42.059 -0.044 0.000 1.200 22 L HN 0.416 nan 8.230 nan 0.000 0.436 23 K N 2.121 122.460 120.400 -0.103 0.000 2.312 23 K HA 0.516 4.843 4.320 0.011 0.000 0.287 23 K C -0.326 176.222 176.600 -0.086 0.000 1.062 23 K CA -0.234 56.000 56.287 -0.089 0.000 0.934 23 K CB 1.284 33.744 32.500 -0.066 0.000 1.027 23 K HN 0.669 nan 8.250 nan 0.000 0.478 24 A N 4.627 127.401 122.820 -0.077 0.000 2.299 24 A HA 0.467 4.793 4.320 0.011 0.000 0.332 24 A C -1.859 175.742 177.584 0.028 0.000 1.131 24 A CA -1.626 50.373 52.037 -0.063 0.000 0.844 24 A CB 0.437 19.377 19.000 -0.099 0.000 1.251 24 A HN 0.487 nan 8.150 nan 0.000 0.486 25 P HA -0.130 nan 4.420 nan 0.000 0.216 25 P C 1.224 178.555 177.300 0.053 0.000 1.157 25 P CA 2.179 65.332 63.100 0.089 0.000 0.880 25 P CB 0.161 31.933 31.700 0.120 0.000 0.791 26 G N -2.281 106.554 108.800 0.058 0.000 3.284 26 G HA2 0.474 4.440 3.960 0.011 0.000 0.236 26 G HA3 0.474 4.440 3.960 0.011 0.000 0.236 26 G C 0.432 175.350 174.900 0.030 0.000 1.158 26 G CA 0.407 45.531 45.100 0.040 0.000 0.774 26 G HN 0.625 nan 8.290 nan 0.000 0.545 27 G N -0.410 108.401 108.800 0.018 0.000 2.356 27 G HA2 0.372 4.338 3.960 0.011 0.000 0.300 27 G HA3 0.372 4.338 3.960 0.011 0.000 0.300 27 G C -3.418 171.466 174.900 -0.026 0.000 1.331 27 G CA -0.758 44.344 45.100 0.004 0.000 0.905 27 G HN 0.048 nan 8.290 nan 0.000 0.587 28 P HA 0.589 nan 4.420 nan 0.000 0.279 28 P C -0.088 177.187 177.300 -0.042 0.000 1.252 28 P CA -0.400 62.605 63.100 -0.159 0.000 0.811 28 P CB 1.668 33.100 31.700 -0.446 0.000 1.035 29 V N -2.339 117.555 119.914 -0.033 0.000 3.102 29 V HA 0.681 4.807 4.120 0.011 0.000 0.312 29 V C -0.437 175.739 176.094 0.136 0.000 1.135 29 V CA -0.934 61.438 62.300 0.119 0.000 1.022 29 V CB 1.732 33.634 31.823 0.132 0.000 1.056 29 V HN 0.423 nan 8.190 nan 0.000 0.436 30 S N 1.494 117.337 115.700 0.237 0.000 2.442 30 S HA 0.851 5.327 4.470 0.011 0.000 0.297 30 S C 0.008 174.594 174.600 -0.023 0.000 1.131 30 S CA -0.029 58.247 58.200 0.127 0.000 1.092 30 S CB 1.181 64.550 63.200 0.282 0.000 0.998 30 S HN 1.498 nan 8.310 nan 0.000 0.478 31 A N 2.879 125.501 122.820 -0.330 0.000 2.342 31 A HA 0.829 5.155 4.320 0.011 0.000 0.323 31 A C -1.161 175.967 177.584 -0.760 0.000 1.125 31 A CA -0.627 51.091 52.037 -0.530 0.000 0.785 31 A CB 0.434 19.058 19.000 -0.627 0.000 1.221 31 A HN 0.678 nan 8.150 nan 0.000 0.463 32 F N 2.365 122.135 119.950 -0.299 0.000 2.382 32 F HA 0.522 5.055 4.527 0.010 0.000 0.361 32 F C -0.269 175.330 175.800 -0.335 0.000 1.109 32 F CA -0.305 57.588 58.000 -0.179 0.000 1.031 32 F CB 1.369 40.401 39.000 0.055 0.000 1.234 32 F HN 0.324 nan 8.300 nan 0.000 0.445 33 L N 2.185 123.243 121.223 -0.274 0.000 2.346 33 L HA 0.762 5.108 4.340 0.011 0.000 0.276 33 L C 0.751 177.496 176.870 -0.209 0.000 1.006 33 L CA -0.992 53.616 54.840 -0.387 0.000 0.817 33 L CB 1.901 43.511 42.059 -0.750 0.000 1.272 33 L HN 0.808 nan 8.230 nan 0.000 0.421 34 G N 2.927 111.666 108.800 -0.102 0.000 2.212 34 G HA2 -0.234 3.733 3.960 0.011 0.000 0.255 34 G HA3 -0.234 3.733 3.960 0.011 0.000 0.255 34 G C -0.178 174.752 174.900 0.050 0.000 1.062 34 G CA -0.430 44.627 45.100 -0.073 0.000 0.815 34 G HN 0.467 nan 8.290 nan 0.000 0.497 35 I N 2.075 122.682 120.570 0.061 0.000 2.396 35 I HA 0.247 4.423 4.170 0.011 0.000 0.289 35 I C -1.481 174.674 176.117 0.063 0.000 1.056 35 I CA -2.142 59.178 61.300 0.032 0.000 1.365 35 I CB 0.988 38.954 38.000 -0.057 0.000 1.407 35 I HN -0.033 nan 8.210 nan 0.000 0.509 36 P HA 0.032 nan 4.420 nan 0.000 0.276 36 P C -0.128 177.102 177.300 -0.117 0.000 1.243 36 P CA -0.018 62.932 63.100 -0.249 0.000 0.768 36 P CB 0.460 32.011 31.700 -0.249 0.000 0.856 37 F N 1.569 121.352 119.950 -0.278 0.000 2.704 37 F HA 0.685 5.218 4.527 0.011 0.000 0.304 37 F C 0.204 175.989 175.800 -0.025 0.000 1.094 37 F CA -0.626 57.280 58.000 -0.155 0.000 1.275 37 F CB 0.170 38.992 39.000 -0.296 0.000 1.073 37 F HN 0.302 nan 8.300 nan 0.000 0.586 38 A N 0.119 122.612 122.820 -0.545 0.000 2.532 38 A HA 0.577 4.904 4.320 0.011 0.000 0.290 38 A C -0.797 176.624 177.584 -0.273 0.000 1.143 38 A CA -0.810 51.035 52.037 -0.319 0.000 0.728 38 A CB 0.932 19.685 19.000 -0.411 0.000 1.317 38 A HN 0.075 nan 8.150 nan 0.000 0.414 39 E N 1.194 121.312 120.200 -0.137 0.000 2.360 39 E HA 0.249 4.606 4.350 0.011 0.000 0.269 39 E C -2.308 174.198 176.600 -0.156 0.000 1.022 39 E CA -1.349 54.987 56.400 -0.105 0.000 0.887 39 E CB 0.158 29.836 29.700 -0.038 0.000 0.990 39 E HN 0.220 nan 8.360 nan 0.000 0.426 40 P HA -0.032 nan 4.420 nan 0.000 0.258 40 P C -2.225 175.015 177.300 -0.100 0.000 1.172 40 P CA -0.606 62.411 63.100 -0.138 0.000 0.762 40 P CB -0.081 31.575 31.700 -0.074 0.000 0.764 41 P HA 0.012 nan 4.420 nan 0.000 0.218 41 P C -0.246 177.007 177.300 -0.078 0.000 1.793 41 P CA 0.112 63.164 63.100 -0.080 0.000 0.941 41 P CB -0.128 31.526 31.700 -0.076 0.000 1.919 42 V N -3.120 116.754 119.914 -0.067 0.000 3.096 42 V HA 0.905 5.031 4.120 0.011 0.000 0.319 42 V C 0.967 177.028 176.094 -0.054 0.000 1.103 42 V CA 0.099 62.359 62.300 -0.065 0.000 1.016 42 V CB 0.806 32.599 31.823 -0.050 0.000 1.090 42 V HN 0.526 nan 8.190 nan 0.000 0.449 43 G N 2.339 111.108 108.800 -0.052 0.000 2.591 43 G HA2 -0.334 3.632 3.960 0.011 0.000 0.298 43 G HA3 -0.334 3.632 3.960 0.011 0.000 0.298 43 G C 1.137 176.017 174.900 -0.033 0.000 1.195 43 G CA 1.495 46.574 45.100 -0.034 0.000 0.989 43 G HN 2.430 nan 8.290 nan 0.000 0.551 44 S N 0.377 116.071 115.700 -0.011 0.000 2.660 44 S HA 0.162 4.638 4.470 0.011 0.000 0.228 44 S C 1.723 176.328 174.600 0.008 0.000 0.966 44 S CA 1.582 59.786 58.200 0.007 0.000 0.940 44 S CB 0.113 63.322 63.200 0.016 0.000 0.773 44 S HN 0.810 nan 8.310 nan 0.000 0.535 45 R N 0.403 120.891 120.500 -0.020 0.000 2.509 45 R HA 0.302 4.649 4.340 0.011 0.000 0.297 45 R C 0.630 176.897 176.300 -0.055 0.000 0.951 45 R CA -0.514 55.576 56.100 -0.017 0.000 1.103 45 R CB 0.301 30.590 30.300 -0.020 0.000 1.283 45 R HN 0.312 nan 8.270 nan 0.000 0.534 46 R N 0.564 120.981 120.500 -0.138 0.000 2.640 46 R HA -0.119 4.227 4.340 0.011 0.000 0.270 46 R C -0.272 175.833 176.300 -0.324 0.000 1.024 46 R CA 1.054 56.940 56.100 -0.357 0.000 1.085 46 R CB 0.146 30.091 30.300 -0.592 0.000 0.963 46 R HN 0.176 nan 8.270 nan 0.000 0.426 47 F N -1.287 118.679 119.950 0.026 0.000 2.691 47 F HA -0.361 4.173 4.527 0.011 0.000 0.487 47 F C 0.475 176.272 175.800 -0.006 0.000 0.547 47 F CA 0.905 58.899 58.000 -0.010 0.000 0.988 47 F CB -1.590 37.392 39.000 -0.030 0.000 1.675 47 F HN 0.460 nan 8.300 nan 0.000 0.269 48 M N 1.669 121.349 119.600 0.133 0.000 2.247 48 M HA 0.308 4.795 4.480 0.011 0.000 0.326 48 M C -1.809 174.530 176.300 0.065 0.000 1.134 48 M CA -1.295 54.061 55.300 0.093 0.000 1.136 48 M CB 0.205 32.845 32.600 0.067 0.000 1.454 48 M HN -0.337 nan 8.290 nan 0.000 0.467 49 P HA 0.066 nan 4.420 nan 0.000 0.269 49 P C -2.463 174.871 177.300 0.058 0.000 1.211 49 P CA -0.437 62.704 63.100 0.068 0.000 0.781 49 P CB -0.421 31.329 31.700 0.082 0.000 0.877 50 P HA 0.266 nan 4.420 nan 0.000 0.286 50 P C -0.814 176.524 177.300 0.064 0.000 1.261 50 P CA -0.259 62.870 63.100 0.048 0.000 0.821 50 P CB 1.085 32.825 31.700 0.066 0.000 1.013 51 E N 2.949 123.173 120.200 0.039 0.000 2.242 51 E HA 0.365 4.721 4.350 0.011 0.000 0.275 51 E C -2.217 174.422 176.600 0.064 0.000 1.002 51 E CA -2.256 54.177 56.400 0.055 0.000 0.841 51 E CB 0.098 29.821 29.700 0.039 0.000 1.109 51 E HN 0.341 nan 8.360 nan 0.000 0.394 52 P HA -0.121 nan 4.420 nan 0.000 0.264 52 P C -0.698 176.668 177.300 0.111 0.000 1.179 52 P CA 0.150 63.331 63.100 0.135 0.000 0.763 52 P CB 0.376 32.156 31.700 0.133 0.000 0.806 53 K N 3.630 124.118 120.400 0.147 0.000 2.416 53 K HA 0.059 4.386 4.320 0.011 0.000 0.283 53 K C -0.008 176.698 176.600 0.176 0.000 1.037 53 K CA 0.222 56.595 56.287 0.144 0.000 0.995 53 K CB 0.156 32.777 32.500 0.202 0.000 0.938 53 K HN 0.228 nan 8.250 nan 0.000 0.475 54 R N 5.288 125.875 120.500 0.145 0.000 2.442 54 R HA 0.151 4.498 4.340 0.011 0.000 0.291 54 R C -2.014 174.389 176.300 0.172 0.000 1.069 54 R CA -1.579 54.596 56.100 0.125 0.000 1.022 54 R CB 0.320 30.676 30.300 0.093 0.000 0.976 54 R HN 0.586 nan 8.270 nan 0.000 0.443 55 P HA -0.111 nan 4.420 nan 0.000 0.265 55 P C -1.142 176.176 177.300 0.029 0.000 1.187 55 P CA 0.229 63.270 63.100 -0.098 0.000 0.766 55 P CB 0.254 31.856 31.700 -0.164 0.000 0.820 56 W N 1.626 122.961 121.300 0.058 0.000 2.578 56 W HA 0.681 5.348 4.660 0.011 0.000 0.364 56 W C -0.488 176.057 176.519 0.043 0.000 1.144 56 W CA -0.905 56.470 57.345 0.050 0.000 1.242 56 W CB 0.042 29.538 29.460 0.060 0.000 1.382 56 W HN 0.385 nan 8.180 nan 0.000 0.625 57 S N 1.091 116.949 115.700 0.264 0.000 2.638 57 S HA 0.857 5.334 4.470 0.011 0.000 0.298 57 S C 0.343 175.098 174.600 0.259 0.000 1.111 57 S CA -0.121 58.175 58.200 0.159 0.000 1.027 57 S CB 0.957 64.212 63.200 0.090 0.000 1.064 57 S HN 2.098 nan 8.310 nan 0.000 0.525 58 G N -0.092 108.812 108.800 0.174 0.000 2.750 58 G HA2 -0.131 3.836 3.960 0.011 0.000 0.228 58 G HA3 -0.131 3.836 3.960 0.011 0.000 0.228 58 G C -0.712 174.346 174.900 0.264 0.000 1.367 58 G CA -0.407 44.797 45.100 0.174 0.000 0.871 58 G HN 1.596 nan 8.290 nan 0.000 0.560 59 V N 0.977 121.009 119.914 0.196 0.000 2.368 59 V HA 0.454 4.581 4.120 0.011 0.000 0.266 59 V C 1.032 177.223 176.094 0.161 0.000 1.045 59 V CA -0.181 62.244 62.300 0.209 0.000 0.899 59 V CB 1.076 32.979 31.823 0.134 0.000 1.006 59 V HN 0.770 nan 8.190 nan 0.000 0.470 60 L N 4.900 126.229 121.223 0.177 0.000 2.410 60 L HA 0.252 4.599 4.340 0.011 0.000 0.273 60 L C 0.718 177.576 176.870 -0.019 0.000 1.144 60 L CA 0.117 54.906 54.840 -0.084 0.000 0.863 60 L CB 0.531 42.278 42.059 -0.520 0.000 1.140 60 L HN 0.659 nan 8.230 nan 0.000 0.463 61 D N 4.995 125.361 120.400 -0.056 0.000 2.346 61 D HA 0.108 4.754 4.640 0.011 0.000 0.260 61 D C -0.261 175.995 176.300 -0.073 0.000 1.252 61 D CA 0.094 54.066 54.000 -0.046 0.000 0.895 61 D CB 1.305 42.067 40.800 -0.063 0.000 1.097 61 D HN 0.668 nan 8.370 nan 0.000 0.489 62 A N 3.258 126.059 122.820 -0.031 0.000 3.041 62 A HA 0.171 4.497 4.320 0.011 0.000 0.307 62 A C 1.178 178.668 177.584 -0.155 0.000 1.116 62 A CA -0.416 51.587 52.037 -0.056 0.000 1.001 62 A CB -0.136 18.921 19.000 0.095 0.000 1.112 62 A HN 0.568 nan 8.150 nan 0.000 0.556 63 T N -3.065 111.382 114.554 -0.178 0.000 3.044 63 T HA 0.211 4.568 4.350 0.011 0.000 0.250 63 T C 0.797 175.330 174.700 -0.279 0.000 1.081 63 T CA 0.902 62.867 62.100 -0.225 0.000 1.040 63 T CB -0.235 68.535 68.868 -0.163 0.000 0.962 63 T HN 0.732 nan 8.240 nan 0.000 0.506 64 T N -0.566 113.823 114.554 -0.275 0.000 2.903 64 T HA 0.674 5.030 4.350 0.011 0.000 0.299 64 T C -0.795 173.733 174.700 -0.285 0.000 1.093 64 T CA -0.956 60.974 62.100 -0.283 0.000 1.002 64 T CB 1.054 69.826 68.868 -0.161 0.000 1.127 64 T HN 0.006 nan 8.240 nan 0.000 0.488 65 F N 2.277 122.146 119.950 -0.135 0.000 2.563 65 F HA 0.289 4.822 4.527 0.011 0.000 0.363 65 F C 1.554 177.238 175.800 -0.194 0.000 1.123 65 F CA -0.024 57.894 58.000 -0.137 0.000 1.307 65 F CB 0.457 39.405 39.000 -0.087 0.000 1.115 65 F HN 0.499 nan 8.300 nan 0.000 0.592 66 Q N 1.554 121.334 119.800 -0.033 0.000 2.177 66 Q HA 0.199 4.545 4.340 0.011 0.000 0.183 66 Q C -0.072 175.830 176.000 -0.163 0.000 1.040 66 Q CA -0.639 54.992 55.803 -0.287 0.000 1.089 66 Q CB 0.439 28.690 28.738 -0.812 0.000 1.130 66 Q HN 0.527 nan 8.270 nan 0.000 0.575 67 N N -0.276 118.298 118.700 -0.209 0.000 2.381 67 N HA 0.046 4.793 4.740 0.011 0.000 0.241 67 N C -0.513 174.952 175.510 -0.074 0.000 1.279 67 N CA 0.088 53.066 53.050 -0.120 0.000 0.896 67 N CB 0.423 38.851 38.487 -0.097 0.000 1.118 67 N HN 0.156 nan 8.380 nan 0.000 0.438 68 V N 1.268 121.108 119.914 -0.123 0.000 2.539 68 V HA 0.142 4.269 4.120 0.011 0.000 0.292 68 V C 0.559 176.564 176.094 -0.148 0.000 1.045 68 V CA -0.854 61.361 62.300 -0.143 0.000 0.945 68 V CB 1.276 32.977 31.823 -0.204 0.000 0.993 68 V HN 0.719 nan 8.190 nan 0.000 0.464 69 c N 3.684 122.219 118.600 -0.108 0.000 2.679 69 c HA 0.129 4.705 4.570 0.011 0.000 0.417 69 c C 0.490 174.492 174.090 -0.146 0.000 1.302 69 c CA -0.619 55.652 56.329 -0.095 0.000 1.973 69 c CB -0.880 41.614 42.510 -0.026 0.000 2.715 69 c HN 0.748 nan 8.230 nan 0.000 0.628 70 Y N 3.362 123.485 120.300 -0.296 0.000 2.721 70 Y HA 0.207 4.764 4.550 0.011 0.000 0.329 70 Y C 0.910 176.776 175.900 -0.056 0.000 1.211 70 Y CA 1.001 58.908 58.100 -0.321 0.000 1.512 70 Y CB 0.109 38.081 38.460 -0.813 0.000 1.249 70 Y HN 0.721 nan 8.280 nan 0.000 0.549 71 Q N 3.888 123.734 119.800 0.077 0.000 2.534 71 Q HA 0.228 4.574 4.340 0.011 0.000 0.290 71 Q C -1.824 174.321 176.000 0.241 0.000 0.991 71 Q CA -1.257 54.687 55.803 0.235 0.000 0.783 71 Q CB 1.431 30.230 28.738 0.102 0.000 1.470 71 Q HN 0.677 nan 8.270 nan 0.000 0.406 72 Y N 1.374 121.808 120.300 0.223 0.000 2.569 72 Y HA 0.333 4.889 4.550 0.010 0.000 0.332 72 Y C -0.874 175.085 175.900 0.098 0.000 1.120 72 Y CA -0.220 57.974 58.100 0.157 0.000 1.416 72 Y CB 0.803 39.346 38.460 0.138 0.000 1.210 72 Y HN 0.424 nan 8.280 nan 0.000 0.528 73 V N 7.191 126.769 119.914 -0.559 0.000 2.406 73 V HA 0.022 4.148 4.120 0.011 0.000 0.272 73 V C -0.063 175.540 176.094 -0.818 0.000 1.043 73 V CA -0.733 61.259 62.300 -0.513 0.000 0.915 73 V CB 1.010 32.659 31.823 -0.289 0.000 0.988 73 V HN 0.787 nan 8.190 nan 0.000 0.466 74 D N 3.595 123.719 120.400 -0.459 0.000 2.458 74 D HA 0.173 4.820 4.640 0.011 0.000 0.243 74 D C 0.914 177.164 176.300 -0.083 0.000 1.146 74 D CA 0.742 54.624 54.000 -0.196 0.000 0.877 74 D CB 0.914 41.790 40.800 0.125 0.000 1.176 74 D HN 0.774 nan 8.370 nan 0.000 0.461 75 T N 1.177 115.737 114.554 0.010 0.000 3.262 75 T HA 0.026 4.382 4.350 0.011 0.000 0.300 75 T C 1.366 176.084 174.700 0.030 0.000 0.959 75 T CA -0.486 61.631 62.100 0.028 0.000 0.936 75 T CB -0.136 68.732 68.868 -0.000 0.000 1.169 75 T HN 0.264 nan 8.240 nan 0.000 0.532 76 L N 0.944 122.191 121.223 0.041 0.000 2.081 76 L HA 0.111 4.457 4.340 0.011 0.000 0.212 76 L C -0.243 176.335 176.870 -0.488 0.000 1.080 76 L CA 1.721 56.414 54.840 -0.244 0.000 0.754 76 L CB -0.448 41.404 42.059 -0.346 0.000 0.893 76 L HN 0.457 nan 8.230 nan 0.000 0.433 77 Y N -0.858 119.492 120.300 0.083 0.000 2.535 77 Y HA 0.420 4.977 4.550 0.011 0.000 0.351 77 Y C -2.208 173.735 175.900 0.072 0.000 1.050 77 Y CA -3.274 54.840 58.100 0.023 0.000 1.168 77 Y CB -0.197 38.212 38.460 -0.085 0.000 1.116 77 Y HN 0.016 nan 8.280 nan 0.000 0.654 78 P HA 0.054 nan 4.420 nan 0.000 0.261 78 P C 1.099 178.457 177.300 0.097 0.000 1.173 78 P CA 2.103 65.260 63.100 0.095 0.000 0.760 78 P CB 0.749 32.477 31.700 0.047 0.000 0.783 79 G N 2.600 111.439 108.800 0.064 0.000 2.284 79 G HA2 -0.304 3.663 3.960 0.011 0.000 0.247 79 G HA3 -0.304 3.663 3.960 0.011 0.000 0.247 79 G C 0.127 175.060 174.900 0.055 0.000 1.012 79 G CA -0.293 44.829 45.100 0.036 0.000 0.618 79 G HN 0.551 nan 8.290 nan 0.000 0.521 80 F N 2.726 122.623 119.950 -0.088 0.000 2.506 80 F HA 0.523 5.056 4.527 0.010 0.000 0.371 80 F C 1.443 177.125 175.800 -0.198 0.000 1.078 80 F CA -0.240 57.657 58.000 -0.172 0.000 1.195 80 F CB 1.158 40.041 39.000 -0.196 0.000 1.099 80 F HN 0.273 nan 8.300 nan 0.000 0.548 81 E N 3.956 123.788 120.200 -0.613 0.000 2.160 81 E HA -0.104 4.253 4.350 0.011 0.000 0.195 81 E C 2.174 178.240 176.600 -0.889 0.000 0.991 81 E CA 1.723 57.745 56.400 -0.630 0.000 0.810 81 E CB -0.421 28.990 29.700 -0.482 0.000 0.742 81 E HN 0.894 nan 8.360 nan 0.000 0.466 82 G N -0.761 106.924 108.800 -1.858 0.000 2.448 82 G HA2 -0.267 3.699 3.960 0.011 0.000 0.219 82 G HA3 -0.267 3.699 3.960 0.011 0.000 0.219 82 G C 1.649 176.346 174.900 -0.339 0.000 1.127 82 G CA 1.502 45.678 45.100 -1.540 0.000 0.766 82 G HN 0.487 nan 8.290 nan 0.000 0.552 83 T N -2.200 112.211 114.554 -0.239 0.000 3.056 83 T HA 0.172 4.528 4.350 0.011 0.000 0.241 83 T C 1.915 176.692 174.700 0.127 0.000 1.006 83 T CA 0.795 63.090 62.100 0.326 0.000 1.115 83 T CB 0.020 69.189 68.868 0.500 0.000 0.939 83 T HN 0.243 nan 8.240 nan 0.000 0.462 84 E N 1.853 122.015 120.200 -0.064 0.000 2.160 84 E HA -0.124 4.232 4.350 0.011 0.000 0.195 84 E C 2.103 178.564 176.600 -0.232 0.000 0.991 84 E CA 1.659 57.987 56.400 -0.120 0.000 0.810 84 E CB -0.557 29.059 29.700 -0.139 0.000 0.742 84 E HN 0.802 nan 8.360 nan 0.000 0.466 85 M N -1.948 117.418 119.600 -0.391 0.000 2.539 85 M HA -0.083 4.403 4.480 0.011 0.000 0.261 85 M C 0.894 176.731 176.300 -0.773 0.000 1.069 85 M CA 1.350 56.278 55.300 -0.621 0.000 1.081 85 M CB -0.235 31.906 32.600 -0.765 0.000 1.412 85 M HN 0.045 nan 8.290 nan 0.000 0.482 86 W N 0.280 121.473 121.300 -0.178 0.000 3.013 86 W HA 0.310 4.976 4.660 0.010 0.000 0.280 86 W C 0.426 176.823 176.519 -0.203 0.000 1.249 86 W CA -0.955 56.272 57.345 -0.197 0.000 1.577 86 W CB -0.084 29.299 29.460 -0.128 0.000 1.057 86 W HN 0.080 nan 8.180 nan 0.000 0.613 87 N N 1.725 120.410 118.700 -0.025 0.000 2.453 87 N HA 0.098 4.845 4.740 0.011 0.000 0.253 87 N C -2.390 173.024 175.510 -0.159 0.000 1.252 87 N CA -1.251 51.746 53.050 -0.089 0.000 0.917 87 N CB -0.123 38.308 38.487 -0.094 0.000 1.117 87 N HN -0.311 nan 8.380 nan 0.000 0.442 88 P HA 0.058 nan 4.420 nan 0.000 0.266 88 P C 0.177 177.358 177.300 -0.198 0.000 1.195 88 P CA 0.028 63.004 63.100 -0.207 0.000 0.768 88 P CB 0.352 31.925 31.700 -0.213 0.000 0.838 89 N N 1.952 120.524 118.700 -0.213 0.000 2.204 89 N HA 0.084 4.831 4.740 0.011 0.000 0.219 89 N C 0.166 175.582 175.510 -0.156 0.000 1.151 89 N CA 0.024 52.960 53.050 -0.190 0.000 0.867 89 N CB 0.426 38.782 38.487 -0.220 0.000 1.043 89 N HN 0.168 nan 8.380 nan 0.000 0.516 90 R N 0.136 120.541 120.500 -0.159 0.000 2.869 90 R HA 0.265 4.612 4.340 0.011 0.000 0.263 90 R C -0.548 175.664 176.300 -0.147 0.000 1.066 90 R CA -0.671 55.351 56.100 -0.130 0.000 0.960 90 R CB 1.122 31.356 30.300 -0.111 0.000 1.221 90 R HN 0.295 nan 8.270 nan 0.000 0.474 91 E N 1.440 121.560 120.200 -0.132 0.000 2.437 91 E HA 0.018 4.374 4.350 0.011 0.000 0.263 91 E C -0.639 175.847 176.600 -0.190 0.000 1.030 91 E CA -0.023 56.290 56.400 -0.145 0.000 0.934 91 E CB 0.556 30.188 29.700 -0.113 0.000 0.943 91 E HN 0.280 nan 8.360 nan 0.000 0.444 92 L N 3.179 124.245 121.223 -0.262 0.000 2.326 92 L HA 0.322 4.668 4.340 0.011 0.000 0.278 92 L C 0.236 176.928 176.870 -0.297 0.000 1.092 92 L CA -0.207 54.386 54.840 -0.411 0.000 0.810 92 L CB 1.365 42.944 42.059 -0.800 0.000 1.153 92 L HN 0.434 nan 8.230 nan 0.000 0.439 93 S N 0.974 116.559 115.700 -0.191 0.000 2.537 93 S HA 0.227 4.703 4.470 0.011 0.000 0.271 93 S C 0.257 174.847 174.600 -0.017 0.000 1.148 93 S CA -0.659 57.530 58.200 -0.018 0.000 0.868 93 S CB 1.619 64.803 63.200 -0.026 0.000 1.115 93 S HN 0.751 nan 8.310 nan 0.000 0.461 94 E N 0.964 121.152 120.200 -0.020 0.000 2.208 94 E HA -0.070 4.286 4.350 0.011 0.000 0.193 94 E C -0.264 176.295 176.600 -0.068 0.000 0.988 94 E CA 0.469 56.796 56.400 -0.122 0.000 0.828 94 E CB 0.061 29.660 29.700 -0.170 0.000 0.763 94 E HN 0.549 nan 8.360 nan 0.000 0.478 95 D N 0.566 120.954 120.400 -0.020 0.000 2.455 95 D HA -0.028 4.619 4.640 0.011 0.000 0.234 95 D C 0.072 176.455 176.300 0.140 0.000 1.224 95 D CA -0.067 53.952 54.000 0.032 0.000 0.999 95 D CB -0.040 40.797 40.800 0.061 0.000 1.072 95 D HN 0.174 nan 8.370 nan 0.000 0.514 96 c N 2.349 121.006 118.600 0.095 0.000 3.865 96 c HA 0.348 4.925 4.570 0.011 0.000 0.297 96 c C 0.682 174.863 174.090 0.151 0.000 1.758 96 c CA -0.650 55.792 56.329 0.189 0.000 1.778 96 c CB -1.138 41.403 42.510 0.052 0.000 3.158 96 c HN 0.417 nan 8.230 nan 0.000 0.598 97 L N 2.515 123.583 121.223 -0.259 0.000 2.399 97 L HA 0.409 4.755 4.340 0.011 0.000 0.257 97 L C -0.911 175.397 176.870 -0.938 0.000 1.236 97 L CA 0.455 54.942 54.840 -0.588 0.000 1.144 97 L CB -0.674 40.895 42.059 -0.816 0.000 1.379 97 L HN 0.412 nan 8.230 nan 0.000 0.414 98 Y N 1.608 121.881 120.300 -0.045 0.000 2.570 98 Y HA 0.664 5.220 4.550 0.011 0.000 0.345 98 Y C -0.058 176.028 175.900 0.311 0.000 1.014 98 Y CA -1.256 56.892 58.100 0.080 0.000 1.063 98 Y CB 1.994 40.452 38.460 -0.005 0.000 1.272 98 Y HN 0.172 nan 8.280 nan 0.000 0.477 99 L N -0.296 121.114 121.223 0.311 0.000 2.327 99 L HA 0.766 5.113 4.340 0.011 0.000 0.258 99 L C -1.362 175.508 176.870 -0.001 0.000 1.024 99 L CA -1.199 53.704 54.840 0.105 0.000 0.825 99 L CB 1.775 43.723 42.059 -0.185 0.000 1.386 99 L HN 0.486 nan 8.230 nan 0.000 0.417 100 N N 0.173 118.873 118.700 0.000 0.000 2.238 100 N HA 0.741 5.487 4.740 0.011 0.000 0.302 100 N C -1.494 173.901 175.510 -0.191 0.000 1.072 100 N CA -0.456 52.502 53.050 -0.154 0.000 0.792 100 N CB 2.905 41.313 38.487 -0.131 0.000 1.425 100 N HN 0.502 nan 8.380 nan 0.000 0.478 101 V N 1.301 121.018 119.914 -0.329 0.000 2.638 101 V HA 0.455 4.582 4.120 0.011 0.000 0.306 101 V C -0.895 175.103 176.094 -0.159 0.000 1.052 101 V CA -0.768 61.432 62.300 -0.167 0.000 0.885 101 V CB 2.337 33.928 31.823 -0.387 0.000 0.999 101 V HN 0.564 nan 8.190 nan 0.000 0.424 102 W N 3.084 124.461 121.300 0.128 0.000 2.587 102 W HA 0.661 5.328 4.660 0.012 0.000 0.324 102 W C 0.109 176.725 176.519 0.162 0.000 1.040 102 W CA -0.426 57.000 57.345 0.135 0.000 1.222 102 W CB 2.406 31.927 29.460 0.101 0.000 1.381 102 W HN 0.657 nan 8.180 nan 0.000 0.483 103 T N 0.525 115.319 114.554 0.399 0.000 2.896 103 T HA 0.519 4.876 4.350 0.011 0.000 0.297 103 T C -2.777 172.095 174.700 0.287 0.000 1.108 103 T CA -2.505 59.790 62.100 0.326 0.000 1.004 103 T CB 2.361 71.436 68.868 0.344 0.000 1.159 103 T HN -0.095 nan 8.240 nan 0.000 0.499 104 P HA 0.108 nan 4.420 nan 0.000 0.269 104 P C -1.509 175.936 177.300 0.243 0.000 1.205 104 P CA 0.017 63.237 63.100 0.200 0.000 0.780 104 P CB 0.065 31.852 31.700 0.146 0.000 0.858 105 Y N 3.088 123.443 120.300 0.091 0.000 2.326 105 Y HA 0.412 4.968 4.550 0.011 0.000 0.331 105 Y C -2.100 173.836 175.900 0.059 0.000 0.962 105 Y CA -2.496 55.651 58.100 0.078 0.000 1.167 105 Y CB 1.108 39.602 38.460 0.057 0.000 1.148 105 Y HN 0.335 nan 8.280 nan 0.000 0.463 106 P HA 0.192 nan 4.420 nan 0.000 0.272 106 P C -0.809 176.458 177.300 -0.055 0.000 1.240 106 P CA -0.346 62.578 63.100 -0.293 0.000 0.791 106 P CB 1.005 32.563 31.700 -0.236 0.000 0.978 107 R N 1.291 121.772 120.500 -0.031 0.000 2.638 107 R HA 0.095 4.441 4.340 0.011 0.000 0.268 107 R C -1.591 174.731 176.300 0.038 0.000 1.006 107 R CA -0.747 55.388 56.100 0.058 0.000 1.088 107 R CB -0.563 29.777 30.300 0.066 0.000 0.950 107 R HN 0.491 nan 8.270 nan 0.000 0.419 108 P HA 0.004 nan 4.420 nan 0.000 0.272 108 P C -0.271 177.046 177.300 0.027 0.000 1.223 108 P CA 0.005 63.132 63.100 0.046 0.000 0.784 108 P CB 0.908 32.644 31.700 0.060 0.000 0.923 109 A N 2.697 125.528 122.820 0.018 0.000 1.855 109 A HA -0.031 4.296 4.320 0.011 0.000 0.215 109 A C 1.206 178.794 177.584 0.007 0.000 1.191 109 A CA 1.724 53.766 52.037 0.008 0.000 0.613 109 A CB -1.184 17.820 19.000 0.006 0.000 0.829 109 A HN 0.734 nan 8.150 nan 0.000 0.442 110 S N -0.611 115.096 115.700 0.012 0.000 2.638 110 S HA 0.614 5.091 4.470 0.011 0.000 0.298 110 S C -3.035 171.575 174.600 0.017 0.000 1.111 110 S CA -1.784 56.422 58.200 0.009 0.000 1.027 110 S CB 0.941 64.145 63.200 0.006 0.000 1.064 110 S HN 0.079 nan 8.310 nan 0.000 0.525 111 P HA 0.192 nan 4.420 nan 0.000 0.263 111 P C -0.552 176.767 177.300 0.031 0.000 1.195 111 P CA 0.200 63.314 63.100 0.023 0.000 0.762 111 P CB 0.103 31.808 31.700 0.010 0.000 0.799 112 T N 5.351 119.935 114.554 0.050 0.000 2.907 112 T HA 0.373 4.729 4.350 0.011 0.000 0.284 112 T C -2.297 172.437 174.700 0.056 0.000 1.004 112 T CA -1.665 60.468 62.100 0.055 0.000 1.063 112 T CB 0.557 69.470 68.868 0.075 0.000 0.992 112 T HN 0.183 nan 8.240 nan 0.000 0.483 113 P HA 0.160 nan 4.420 nan 0.000 0.267 113 P C -0.995 176.349 177.300 0.073 0.000 1.200 113 P CA -0.206 62.921 63.100 0.046 0.000 0.772 113 P CB 0.418 32.134 31.700 0.027 0.000 0.855 114 V N 4.488 124.456 119.914 0.090 0.000 2.459 114 V HA 0.332 4.458 4.120 0.011 0.000 0.295 114 V C 0.010 176.188 176.094 0.140 0.000 1.029 114 V CA -0.478 61.898 62.300 0.127 0.000 0.874 114 V CB 1.430 33.337 31.823 0.139 0.000 0.985 114 V HN 0.296 nan 8.190 nan 0.000 0.438 115 L N 5.891 127.214 121.223 0.167 0.000 2.313 115 L HA 0.590 4.936 4.340 0.011 0.000 0.283 115 L C -0.412 176.695 176.870 0.395 0.000 1.013 115 L CA 0.094 55.058 54.840 0.205 0.000 0.816 115 L CB 1.609 43.677 42.059 0.015 0.000 1.236 115 L HN 0.471 nan 8.230 nan 0.000 0.419 116 I N 2.955 123.788 120.570 0.438 0.000 2.330 116 I HA 0.223 4.399 4.170 0.011 0.000 0.289 116 I C -0.784 175.617 176.117 0.472 0.000 1.001 116 I CA -0.408 61.129 61.300 0.395 0.000 1.193 116 I CB 1.056 39.172 38.000 0.193 0.000 1.345 116 I HN 0.629 nan 8.210 nan 0.000 0.461 117 W N 8.592 130.006 121.300 0.191 0.000 2.390 117 W HA 0.582 5.247 4.660 0.009 0.000 0.312 117 W C -1.547 174.878 176.519 -0.156 0.000 1.123 117 W CA -0.721 56.521 57.345 -0.171 0.000 1.202 117 W CB 1.197 30.563 29.460 -0.157 0.000 1.251 117 W HN 0.346 nan 8.180 nan 0.000 0.511 118 I N 9.110 129.021 120.570 -1.097 0.000 2.390 118 I HA 0.071 4.248 4.170 0.011 0.000 0.283 118 I C -0.204 175.076 176.117 -1.395 0.000 1.016 118 I CA -1.127 59.577 61.300 -0.993 0.000 1.151 118 I CB 0.522 38.123 38.000 -0.665 0.000 1.293 118 I HN 0.295 nan 8.210 nan 0.000 0.458 119 Y N 4.531 124.302 120.300 -0.882 0.000 2.550 119 Y HA 0.566 5.122 4.550 0.011 0.000 0.343 119 Y C 0.810 176.504 175.900 -0.342 0.000 1.245 119 Y CA -0.737 56.990 58.100 -0.621 0.000 1.462 119 Y CB -0.127 38.193 38.460 -0.232 0.000 1.340 119 Y HN 0.539 nan 8.280 nan 0.000 0.604 120 G N -0.400 108.383 108.800 -0.028 0.000 2.531 120 G HA2 0.485 4.451 3.960 0.011 0.000 0.281 120 G HA3 0.485 4.451 3.960 0.011 0.000 0.281 120 G C 0.361 175.212 174.900 -0.083 0.000 1.382 120 G CA -0.890 44.140 45.100 -0.116 0.000 1.045 120 G HN 1.767 nan 8.290 nan 0.000 0.533 121 G N -2.874 105.730 108.800 -0.326 0.000 2.165 121 G HA2 0.394 4.361 3.960 0.011 0.000 0.144 121 G HA3 0.394 4.361 3.960 0.011 0.000 0.144 121 G C 1.072 175.504 174.900 -0.781 0.000 1.049 121 G CA 0.686 45.465 45.100 -0.535 0.000 0.741 121 G HN 2.322 nan 8.290 nan 0.000 0.493 122 G N -0.536 107.804 108.800 -0.767 0.000 2.233 122 G HA2 -0.131 3.835 3.960 0.011 0.000 0.270 122 G HA3 -0.131 3.835 3.960 0.011 0.000 0.270 122 G C 0.921 175.622 174.900 -0.333 0.000 1.011 122 G CA 0.894 45.312 45.100 -1.136 0.000 0.762 122 G HN 1.802 nan 8.290 nan 0.000 0.511 123 F N -3.565 116.297 119.950 -0.146 0.000 2.871 123 F HA -0.311 4.223 4.527 0.010 0.000 0.326 123 F C 1.424 177.380 175.800 0.260 0.000 0.675 123 F CA 2.136 60.169 58.000 0.056 0.000 1.188 123 F CB -2.052 36.822 39.000 -0.211 0.000 1.567 123 F HN 0.888 nan 8.300 nan 0.000 0.325 124 Y N -0.805 119.623 120.300 0.214 0.000 2.500 124 Y HA 0.661 5.217 4.550 0.010 0.000 0.246 124 Y C 0.493 176.503 175.900 0.185 0.000 1.146 124 Y CA 0.294 58.556 58.100 0.269 0.000 1.230 124 Y CB 0.155 38.767 38.460 0.253 0.000 1.214 124 Y HN 0.111 nan 8.280 nan 0.000 0.526 125 S N -0.806 114.647 115.700 -0.411 0.000 2.611 125 S HA 0.817 5.294 4.470 0.011 0.000 0.268 125 S C -0.296 174.098 174.600 -0.344 0.000 1.156 125 S CA -0.463 57.493 58.200 -0.407 0.000 0.817 125 S CB 1.338 64.136 63.200 -0.670 0.000 1.122 125 S HN 1.428 nan 8.310 nan 0.000 0.466 126 G N -0.530 108.031 108.800 -0.398 0.000 2.539 126 G HA2 0.542 4.508 3.960 0.011 0.000 0.686 126 G HA3 0.542 4.508 3.960 0.011 0.000 0.686 126 G C -0.613 173.577 174.900 -1.183 0.000 1.258 126 G CA -0.213 44.498 45.100 -0.649 0.000 0.846 126 G HN 2.175 nan 8.290 nan 0.000 0.647 127 A N -0.685 121.424 122.820 -1.184 0.000 2.606 127 A HA 1.042 5.368 4.320 0.011 0.000 0.293 127 A C 0.605 177.961 177.584 -0.380 0.000 1.082 127 A CA 0.427 51.986 52.037 -0.797 0.000 0.685 127 A CB 1.178 19.936 19.000 -0.403 0.000 1.284 127 A HN 2.574 nan 8.150 nan 0.000 0.408 128 A N 0.141 122.974 122.820 0.021 0.000 2.251 128 A HA 0.310 4.636 4.320 0.011 0.000 0.209 128 A C 1.558 179.156 177.584 0.023 0.000 1.187 128 A CA 1.380 53.604 52.037 0.311 0.000 0.823 128 A CB -0.569 18.707 19.000 0.460 0.000 0.846 128 A HN 1.602 nan 8.150 nan 0.000 0.486 129 S N -0.339 115.128 115.700 -0.387 0.000 2.558 129 S HA 0.269 4.745 4.470 0.011 0.000 0.217 129 S C 0.580 174.712 174.600 -0.780 0.000 0.975 129 S CA -0.374 57.111 58.200 -1.191 0.000 0.912 129 S CB -0.542 61.977 63.200 -1.135 0.000 0.776 129 S HN 0.406 nan 8.310 nan 0.000 0.526 130 L N 2.427 123.377 121.223 -0.454 0.000 2.514 130 L HA 0.078 4.425 4.340 0.011 0.000 0.280 130 L C 1.199 177.741 176.870 -0.546 0.000 1.223 130 L CA -0.252 54.278 54.840 -0.517 0.000 0.864 130 L CB 0.168 41.828 42.059 -0.665 0.000 1.118 130 L HN 0.086 nan 8.230 nan 0.000 0.494 131 D N 1.233 121.343 120.400 -0.483 0.000 2.149 131 D HA -0.151 4.495 4.640 0.011 0.000 0.198 131 D C 1.968 177.986 176.300 -0.470 0.000 0.990 131 D CA 1.316 55.089 54.000 -0.379 0.000 0.839 131 D CB 0.028 40.645 40.800 -0.306 0.000 0.948 131 D HN 0.539 nan 8.370 nan 0.000 0.460 132 V N -1.444 118.043 119.914 -0.712 0.000 3.078 132 V HA -0.155 3.971 4.120 0.011 0.000 0.265 132 V C 0.848 176.318 176.094 -1.039 0.000 1.122 132 V CA 1.060 62.891 62.300 -0.782 0.000 1.141 132 V CB -1.158 30.170 31.823 -0.825 0.000 0.735 132 V HN 0.098 nan 8.190 nan 0.000 0.498 133 Y N 0.095 119.839 120.300 -0.927 0.000 2.658 133 Y HA 0.470 5.026 4.550 0.010 0.000 0.276 133 Y C 0.780 176.074 175.900 -1.010 0.000 1.167 133 Y CA -1.976 55.192 58.100 -1.552 0.000 1.230 133 Y CB -0.695 37.210 38.460 -0.925 0.000 1.144 133 Y HN 0.217 nan 8.280 nan 0.000 0.529 134 D N 0.837 120.910 120.400 -0.545 0.000 2.363 134 D HA 0.048 4.695 4.640 0.011 0.000 0.263 134 D C 1.422 177.310 176.300 -0.686 0.000 1.258 134 D CA 0.433 54.156 54.000 -0.463 0.000 0.907 134 D CB 1.384 42.054 40.800 -0.216 0.000 1.107 134 D HN 0.504 nan 8.370 nan 0.000 0.495 135 G N 4.078 111.806 108.800 -1.788 0.000 2.679 135 G HA2 -0.223 3.744 3.960 0.011 0.000 0.212 135 G HA3 -0.223 3.744 3.960 0.011 0.000 0.212 135 G C 1.519 175.801 174.900 -1.030 0.000 1.137 135 G CA 0.479 44.771 45.100 -1.348 0.000 0.787 135 G HN 0.626 nan 8.290 nan 0.000 0.534 136 R N -0.615 119.158 120.500 -1.210 0.000 2.120 136 R HA -0.023 4.324 4.340 0.011 0.000 0.234 136 R C 1.756 177.753 176.300 -0.504 0.000 1.123 136 R CA 1.457 57.144 56.100 -0.688 0.000 0.975 136 R CB -0.645 29.283 30.300 -0.621 0.000 0.866 136 R HN 0.339 nan 8.270 nan 0.000 0.446 137 F N 1.149 121.000 119.950 -0.166 0.000 2.187 137 F HA 0.113 4.646 4.527 0.011 0.000 0.295 137 F C 2.232 177.977 175.800 -0.092 0.000 1.091 137 F CA 0.515 58.450 58.000 -0.107 0.000 1.308 137 F CB -0.500 38.429 39.000 -0.119 0.000 1.030 137 F HN -0.132 nan 8.300 nan 0.000 0.487 138 L N 0.028 121.282 121.223 0.052 0.000 2.017 138 L HA -0.212 4.135 4.340 0.011 0.000 0.208 138 L C 2.770 179.653 176.870 0.020 0.000 1.073 138 L CA 1.235 56.072 54.840 -0.005 0.000 0.745 138 L CB -0.954 41.059 42.059 -0.077 0.000 0.894 138 L HN 0.187 nan 8.230 nan 0.000 0.432 139 A N -0.848 121.986 122.820 0.023 0.000 1.851 139 A HA -0.284 4.043 4.320 0.011 0.000 0.216 139 A C 2.278 179.911 177.584 0.081 0.000 1.195 139 A CA 1.884 53.976 52.037 0.091 0.000 0.622 139 A CB -0.676 18.425 19.000 0.168 0.000 0.831 139 A HN 0.415 nan 8.150 nan 0.000 0.444 140 Q N -0.220 119.611 119.800 0.052 0.000 2.046 140 Q HA -0.098 4.248 4.340 0.011 0.000 0.200 140 Q C 2.213 178.250 176.000 0.062 0.000 0.975 140 Q CA 2.130 57.969 55.803 0.061 0.000 0.836 140 Q CB -0.339 28.421 28.738 0.037 0.000 0.896 140 Q HN 0.423 nan 8.270 nan 0.000 0.428 141 V N 1.149 121.100 119.914 0.061 0.000 2.407 141 V HA -0.107 4.020 4.120 0.011 0.000 0.245 141 V C 1.693 177.807 176.094 0.034 0.000 1.041 141 V CA 1.512 63.841 62.300 0.049 0.000 1.040 141 V CB -0.177 31.674 31.823 0.047 0.000 0.671 141 V HN 0.232 nan 8.190 nan 0.000 0.455 142 E N -0.128 120.091 120.200 0.031 0.000 2.481 142 E HA 0.205 4.562 4.350 0.011 0.000 0.198 142 E C 1.699 178.321 176.600 0.036 0.000 1.027 142 E CA 0.709 57.123 56.400 0.024 0.000 0.900 142 E CB 0.450 30.155 29.700 0.009 0.000 0.993 142 E HN 0.592 nan 8.360 nan 0.000 0.482 143 G N 1.603 110.434 108.800 0.052 0.000 2.168 143 G HA2 -0.315 3.652 3.960 0.011 0.000 0.257 143 G HA3 -0.315 3.652 3.960 0.011 0.000 0.257 143 G C 0.492 175.438 174.900 0.076 0.000 0.997 143 G CA 0.457 45.596 45.100 0.065 0.000 0.708 143 G HN 0.495 nan 8.290 nan 0.000 0.520 144 A N -0.883 121.982 122.820 0.075 0.000 2.286 144 A HA 0.799 5.126 4.320 0.011 0.000 0.286 144 A C 0.390 178.053 177.584 0.133 0.000 1.097 144 A CA -0.038 52.050 52.037 0.084 0.000 0.821 144 A CB 1.411 20.442 19.000 0.052 0.000 1.076 144 A HN 1.103 nan 8.150 nan 0.000 0.490 145 V N 1.863 121.865 119.914 0.146 0.000 2.439 145 V HA 0.463 4.589 4.120 0.011 0.000 0.282 145 V C -0.150 176.078 176.094 0.223 0.000 1.039 145 V CA -0.198 62.220 62.300 0.196 0.000 0.913 145 V CB 0.908 32.839 31.823 0.180 0.000 0.983 145 V HN 0.730 nan 8.190 nan 0.000 0.460 146 L N 5.530 126.939 121.223 0.311 0.000 2.385 146 L HA 0.767 5.113 4.340 0.011 0.000 0.273 146 L C -1.061 176.095 176.870 0.478 0.000 0.990 146 L CA -0.359 54.715 54.840 0.390 0.000 0.821 146 L CB 2.076 44.365 42.059 0.383 0.000 1.279 146 L HN 0.457 nan 8.230 nan 0.000 0.412 147 V N 2.760 122.933 119.914 0.431 0.000 2.680 147 V HA 0.716 4.842 4.120 0.011 0.000 0.309 147 V C -0.474 175.880 176.094 0.434 0.000 1.052 147 V CA -0.454 62.061 62.300 0.358 0.000 0.908 147 V CB 2.081 34.043 31.823 0.232 0.000 1.001 147 V HN 0.832 nan 8.190 nan 0.000 0.431 148 S N 5.159 121.107 115.700 0.414 0.000 2.547 148 S HA 0.843 5.319 4.470 0.011 0.000 0.281 148 S C -0.823 173.932 174.600 0.259 0.000 1.118 148 S CA -0.807 57.636 58.200 0.405 0.000 0.947 148 S CB 2.119 65.687 63.200 0.613 0.000 1.053 148 S HN 0.862 nan 8.310 nan 0.000 0.482 149 M N 1.689 121.395 119.600 0.176 0.000 2.598 149 M HA 0.637 5.124 4.480 0.011 0.000 0.317 149 M C -1.483 175.024 176.300 0.346 0.000 1.179 149 M CA -0.471 54.925 55.300 0.160 0.000 0.936 149 M CB 1.092 33.610 32.600 -0.136 0.000 1.713 149 M HN 0.556 nan 8.290 nan 0.000 0.460 150 N N 2.703 121.676 118.700 0.456 0.000 2.530 150 N HA 0.551 5.298 4.740 0.011 0.000 0.277 150 N C -1.406 174.387 175.510 0.472 0.000 1.168 150 N CA 0.152 53.489 53.050 0.479 0.000 0.979 150 N CB 0.532 39.228 38.487 0.348 0.000 1.141 150 N HN 0.724 nan 8.380 nan 0.000 0.459 151 Y N -2.057 118.419 120.300 0.293 0.000 2.504 151 Y HA 0.525 5.081 4.550 0.011 0.000 0.344 151 Y C -0.125 175.910 175.900 0.226 0.000 1.023 151 Y CA -1.299 56.925 58.100 0.207 0.000 1.020 151 Y CB 0.848 39.365 38.460 0.095 0.000 1.282 151 Y HN 0.221 nan 8.280 nan 0.000 0.454 152 R N 2.019 122.645 120.500 0.208 0.000 2.640 152 R HA 0.415 4.762 4.340 0.011 0.000 0.270 152 R C -0.087 176.357 176.300 0.240 0.000 1.024 152 R CA 0.238 56.425 56.100 0.145 0.000 1.085 152 R CB 0.580 30.938 30.300 0.098 0.000 0.963 152 R HN 0.727 nan 8.270 nan 0.000 0.426 153 V N -0.392 119.715 119.914 0.320 0.000 3.164 153 V HA 0.847 4.973 4.120 0.011 0.000 0.313 153 V C 0.839 177.307 176.094 0.624 0.000 1.188 153 V CA -0.231 62.397 62.300 0.548 0.000 1.058 153 V CB 1.049 33.085 31.823 0.355 0.000 1.110 153 V HN 0.961 nan 8.190 nan 0.000 0.453 154 G N 1.543 110.771 108.800 0.714 0.000 2.578 154 G HA2 -0.339 3.628 3.960 0.011 0.000 0.313 154 G HA3 -0.339 3.628 3.960 0.011 0.000 0.313 154 G C 1.111 176.239 174.900 0.380 0.000 1.324 154 G CA 2.068 47.543 45.100 0.626 0.000 0.955 154 G HN 2.374 nan 8.290 nan 0.000 0.541 155 T N -1.823 112.675 114.554 -0.093 0.000 2.699 155 T HA -0.167 4.189 4.350 0.011 0.000 0.268 155 T C 2.129 176.720 174.700 -0.182 0.000 1.036 155 T CA 2.648 64.424 62.100 -0.540 0.000 1.147 155 T CB -0.477 67.917 68.868 -0.790 0.000 0.862 155 T HN 0.558 nan 8.240 nan 0.000 0.446 156 F N 2.225 122.246 119.950 0.118 0.000 2.202 156 F HA 0.177 4.710 4.527 0.011 0.000 0.301 156 F C 2.744 178.552 175.800 0.014 0.000 1.082 156 F CA 0.891 58.910 58.000 0.032 0.000 1.313 156 F CB -0.912 38.085 39.000 -0.005 0.000 1.024 156 F HN 0.394 nan 8.300 nan 0.000 0.495 157 G N -2.125 106.762 108.800 0.145 0.000 2.656 157 G HA2 0.046 4.013 3.960 0.011 0.000 0.211 157 G HA3 0.046 4.013 3.960 0.011 0.000 0.211 157 G C 0.831 175.267 174.900 -0.773 0.000 1.137 157 G CA 0.199 45.098 45.100 -0.335 0.000 0.802 157 G HN 0.363 nan 8.290 nan 0.000 0.527 158 F N -0.699 119.380 119.950 0.215 0.000 2.974 158 F HA 0.413 4.946 4.527 0.011 0.000 0.357 158 F C 0.319 176.236 175.800 0.195 0.000 1.114 158 F CA -0.919 57.191 58.000 0.184 0.000 1.099 158 F CB 0.353 39.472 39.000 0.199 0.000 1.205 158 F HN -0.088 nan 8.300 nan 0.000 0.535 159 L N 2.435 123.756 121.223 0.163 0.000 2.500 159 L HA 0.562 4.909 4.340 0.011 0.000 0.272 159 L C 0.045 176.916 176.870 0.001 0.000 1.149 159 L CA 0.025 54.861 54.840 -0.006 0.000 0.897 159 L CB 0.216 42.010 42.059 -0.442 0.000 1.178 159 L HN 0.142 nan 8.230 nan 0.000 0.473 160 A N 6.333 129.202 122.820 0.082 0.000 2.355 160 A HA 0.686 5.012 4.320 0.011 0.000 0.317 160 A C -0.941 176.638 177.584 -0.007 0.000 1.094 160 A CA -0.614 51.438 52.037 0.026 0.000 0.764 160 A CB 1.180 20.221 19.000 0.069 0.000 1.230 160 A HN 0.728 nan 8.150 nan 0.000 0.448 161 L N 3.766 124.963 121.223 -0.043 0.000 2.371 161 L HA 0.325 4.671 4.340 0.011 0.000 0.262 161 L C -2.411 174.453 176.870 -0.009 0.000 1.054 161 L CA -1.677 53.145 54.840 -0.031 0.000 0.924 161 L CB 1.400 43.425 42.059 -0.057 0.000 1.295 161 L HN 0.418 nan 8.230 nan 0.000 0.441 162 P HA 0.156 nan 4.420 nan 0.000 0.268 162 P C 0.936 178.243 177.300 0.013 0.000 1.204 162 P CA 0.464 63.573 63.100 0.015 0.000 0.768 162 P CB 1.101 32.811 31.700 0.017 0.000 0.842 163 G N 1.461 110.272 108.800 0.019 0.000 2.217 163 G HA2 -0.232 3.735 3.960 0.011 0.000 0.246 163 G HA3 -0.232 3.735 3.960 0.011 0.000 0.246 163 G C 0.416 175.326 174.900 0.016 0.000 0.990 163 G CA 0.301 45.412 45.100 0.018 0.000 0.627 163 G HN 0.802 nan 8.290 nan 0.000 0.522 164 S N -0.810 114.898 115.700 0.014 0.000 2.669 164 S HA 0.709 5.185 4.470 0.011 0.000 0.270 164 S C 1.068 175.682 174.600 0.023 0.000 1.225 164 S CA 0.147 58.354 58.200 0.013 0.000 0.991 164 S CB 2.036 65.238 63.200 0.002 0.000 0.987 164 S HN 0.317 nan 8.310 nan 0.000 0.552 165 R N -0.309 120.207 120.500 0.026 0.000 2.206 165 R HA 0.136 4.483 4.340 0.011 0.000 0.198 165 R C 1.342 177.669 176.300 0.045 0.000 0.986 165 R CA 0.575 56.696 56.100 0.036 0.000 1.029 165 R CB -0.067 30.253 30.300 0.034 0.000 0.966 165 R HN 0.764 nan 8.270 nan 0.000 0.487 166 E N -0.357 119.868 120.200 0.042 0.000 2.318 166 E HA 0.083 4.439 4.350 0.011 0.000 0.193 166 E C -0.105 176.544 176.600 0.082 0.000 0.998 166 E CA 0.605 57.042 56.400 0.062 0.000 0.859 166 E CB 0.872 30.605 29.700 0.055 0.000 0.812 166 E HN 0.156 nan 8.360 nan 0.000 0.492 167 A N 0.890 123.733 122.820 0.039 0.000 3.300 167 A HA 0.271 4.598 4.320 0.011 0.000 0.300 167 A C -2.224 175.368 177.584 0.014 0.000 1.099 167 A CA -0.932 51.116 52.037 0.019 0.000 0.846 167 A CB 0.480 19.403 19.000 -0.129 0.000 1.255 167 A HN -0.091 nan 8.150 nan 0.000 0.519 168 P HA 0.127 nan 4.420 nan 0.000 0.229 168 P C 0.971 178.301 177.300 0.050 0.000 1.160 168 P CA 1.780 64.908 63.100 0.047 0.000 0.777 168 P CB 0.152 31.890 31.700 0.062 0.000 0.814 169 G N 0.842 109.672 108.800 0.050 0.000 2.781 169 G HA2 -0.213 3.754 3.960 0.011 0.000 0.683 169 G HA3 -0.213 3.754 3.960 0.011 0.000 0.683 169 G C 0.007 174.930 174.900 0.039 0.000 1.390 169 G CA -0.237 44.901 45.100 0.064 0.000 0.850 169 G HN 0.154 nan 8.290 nan 0.000 0.557 170 N N -2.532 116.200 118.700 0.053 0.000 2.778 170 N HA -0.289 4.458 4.740 0.011 0.000 0.249 170 N C 1.885 177.294 175.510 -0.168 0.000 1.069 170 N CA 2.486 55.508 53.050 -0.045 0.000 0.831 170 N CB -1.599 36.787 38.487 -0.169 0.000 1.142 170 N HN 1.931 nan 8.380 nan 0.000 0.573 171 V N -2.450 117.362 119.914 -0.169 0.000 2.626 171 V HA 0.014 4.140 4.120 0.011 0.000 0.252 171 V C 2.321 178.306 176.094 -0.182 0.000 1.067 171 V CA 2.311 64.540 62.300 -0.119 0.000 1.081 171 V CB -0.902 30.897 31.823 -0.039 0.000 0.686 171 V HN 0.267 nan 8.190 nan 0.000 0.468 172 G N 0.646 109.137 108.800 -0.514 0.000 2.442 172 G HA2 -0.189 3.778 3.960 0.011 0.000 0.219 172 G HA3 -0.189 3.778 3.960 0.011 0.000 0.219 172 G C 1.552 176.456 174.900 0.007 0.000 1.141 172 G CA 1.307 46.212 45.100 -0.325 0.000 0.763 172 G HN 0.551 nan 8.290 nan 0.000 0.554 173 L N -0.252 120.939 121.223 -0.054 0.000 2.156 173 L HA 0.102 4.449 4.340 0.011 0.000 0.208 173 L C 2.788 179.694 176.870 0.061 0.000 1.095 173 L CA 0.290 55.056 54.840 -0.122 0.000 0.770 173 L CB -0.247 41.417 42.059 -0.659 0.000 0.914 173 L HN 0.184 nan 8.230 nan 0.000 0.439 174 L N -0.593 120.661 121.223 0.052 0.000 2.156 174 L HA -0.161 4.185 4.340 0.011 0.000 0.208 174 L C 2.115 179.112 176.870 0.212 0.000 1.095 174 L CA 0.670 55.629 54.840 0.198 0.000 0.770 174 L CB -0.496 41.660 42.059 0.162 0.000 0.914 174 L HN 0.272 nan 8.230 nan 0.000 0.439 175 D N -0.030 120.489 120.400 0.197 0.000 2.097 175 D HA -0.204 4.443 4.640 0.011 0.000 0.195 175 D C 2.224 178.696 176.300 0.287 0.000 0.989 175 D CA 1.161 55.357 54.000 0.327 0.000 0.827 175 D CB -0.186 40.822 40.800 0.346 0.000 0.966 175 D HN 0.390 nan 8.370 nan 0.000 0.456 176 Q N 0.159 120.054 119.800 0.158 0.000 2.084 176 Q HA -0.129 4.218 4.340 0.011 0.000 0.202 176 Q C 2.310 178.306 176.000 -0.005 0.000 0.978 176 Q CA 0.972 56.782 55.803 0.012 0.000 0.844 176 Q CB -0.060 28.669 28.738 -0.014 0.000 0.898 176 Q HN 0.208 nan 8.270 nan 0.000 0.426 177 R N 0.612 121.210 120.500 0.163 0.000 2.081 177 R HA -0.172 4.175 4.340 0.011 0.000 0.235 177 R C 2.233 178.605 176.300 0.119 0.000 1.131 177 R CA 0.970 57.161 56.100 0.152 0.000 0.960 177 R CB -0.236 30.260 30.300 0.327 0.000 0.856 177 R HN 0.207 nan 8.270 nan 0.000 0.436 178 L N 0.890 122.217 121.223 0.173 0.000 2.042 178 L HA -0.105 4.242 4.340 0.011 0.000 0.210 178 L C 2.279 179.226 176.870 0.128 0.000 1.076 178 L CA 2.195 57.168 54.840 0.222 0.000 0.749 178 L CB -0.697 41.585 42.059 0.373 0.000 0.893 178 L HN 0.275 nan 8.230 nan 0.000 0.432 179 A N -0.829 121.871 122.820 -0.201 0.000 1.930 179 A HA -0.125 4.202 4.320 0.011 0.000 0.217 179 A C 2.219 179.755 177.584 -0.080 0.000 1.175 179 A CA 1.699 53.432 52.037 -0.506 0.000 0.627 179 A CB -0.727 17.673 19.000 -1.001 0.000 0.815 179 A HN 0.498 nan 8.150 nan 0.000 0.443 180 L N -1.170 120.027 121.223 -0.043 0.000 2.056 180 L HA -0.238 4.108 4.340 0.011 0.000 0.207 180 L C 2.829 179.764 176.870 0.108 0.000 1.078 180 L CA 1.632 56.492 54.840 0.033 0.000 0.749 180 L CB -0.858 41.192 42.059 -0.016 0.000 0.901 180 L HN 0.476 nan 8.230 nan 0.000 0.433 181 Q N -0.838 119.034 119.800 0.121 0.000 2.061 181 Q HA -0.274 4.072 4.340 0.011 0.000 0.204 181 Q C 2.016 178.111 176.000 0.158 0.000 0.984 181 Q CA 2.249 58.131 55.803 0.130 0.000 0.846 181 Q CB -0.326 28.495 28.738 0.137 0.000 0.902 181 Q HN 0.499 nan 8.270 nan 0.000 0.421 182 W N 0.181 121.504 121.300 0.038 0.000 2.321 182 W HA -0.258 4.408 4.660 0.010 0.000 0.306 182 W C 1.860 178.413 176.519 0.056 0.000 1.217 182 W CA 1.498 58.880 57.345 0.061 0.000 1.257 182 W CB -0.164 29.333 29.460 0.062 0.000 1.145 182 W HN -0.104 nan 8.180 nan 0.000 0.509 183 V N 0.710 120.837 119.914 0.356 0.000 2.407 183 V HA -0.326 3.801 4.120 0.011 0.000 0.248 183 V C 2.499 178.610 176.094 0.029 0.000 1.055 183 V CA 1.922 64.350 62.300 0.214 0.000 1.049 183 V CB -0.915 31.051 31.823 0.239 0.000 0.662 183 V HN 0.212 nan 8.190 nan 0.000 0.455 184 Q N -0.178 119.640 119.800 0.031 0.000 2.096 184 Q HA -0.248 4.099 4.340 0.011 0.000 0.204 184 Q C 2.256 178.213 176.000 -0.072 0.000 0.982 184 Q CA 2.009 57.809 55.803 -0.004 0.000 0.850 184 Q CB -0.209 28.539 28.738 0.017 0.000 0.901 184 Q HN 0.769 nan 8.270 nan 0.000 0.422 185 E N -0.382 119.736 120.200 -0.138 0.000 2.122 185 E HA -0.053 4.303 4.350 0.011 0.000 0.190 185 E C 1.266 177.700 176.600 -0.276 0.000 0.977 185 E CA 0.480 56.769 56.400 -0.186 0.000 0.820 185 E CB 0.343 29.929 29.700 -0.190 0.000 0.770 185 E HN 0.300 nan 8.360 nan 0.000 0.462 186 N N 0.160 118.583 118.700 -0.462 0.000 2.407 186 N HA -0.029 4.718 4.740 0.011 0.000 0.182 186 N C 1.651 177.030 175.510 -0.218 0.000 1.079 186 N CA 0.103 52.826 53.050 -0.545 0.000 0.882 186 N CB 0.241 37.967 38.487 -1.268 0.000 1.106 186 N HN 0.114 nan 8.380 nan 0.000 0.461 187 I N 2.517 123.026 120.570 -0.101 0.000 2.423 187 I HA -0.176 4.001 4.170 0.011 0.000 0.254 187 I C 2.139 178.362 176.117 0.178 0.000 1.151 187 I CA 0.539 61.933 61.300 0.156 0.000 1.421 187 I CB -0.368 37.711 38.000 0.132 0.000 1.079 187 I HN 0.060 nan 8.210 nan 0.000 0.431 188 A N 0.089 122.931 122.820 0.036 0.000 2.024 188 A HA -0.119 4.207 4.320 0.011 0.000 0.220 188 A C 2.474 180.027 177.584 -0.052 0.000 1.164 188 A CA 1.558 53.595 52.037 0.000 0.000 0.643 188 A CB -1.019 17.957 19.000 -0.040 0.000 0.806 188 A HN 0.474 nan 8.150 nan 0.000 0.451 189 A N -1.323 121.411 122.820 -0.144 0.000 2.019 189 A HA 0.064 4.390 4.320 0.011 0.000 0.219 189 A C 1.539 178.830 177.584 -0.488 0.000 1.164 189 A CA 1.202 53.012 52.037 -0.377 0.000 0.644 189 A CB -0.608 18.035 19.000 -0.596 0.000 0.805 189 A HN 0.516 nan 8.150 nan 0.000 0.449 190 F N -1.224 118.674 119.950 -0.086 0.000 2.727 190 F HA 0.387 4.920 4.527 0.011 0.000 0.302 190 F C 1.745 177.553 175.800 0.013 0.000 1.097 190 F CA 0.509 58.479 58.000 -0.051 0.000 1.330 190 F CB 0.243 39.229 39.000 -0.024 0.000 1.084 190 F HN 0.318 nan 8.300 nan 0.000 0.578 191 G N 0.409 109.282 108.800 0.121 0.000 2.141 191 G HA2 -0.186 3.780 3.960 0.011 0.000 0.242 191 G HA3 -0.186 3.780 3.960 0.011 0.000 0.242 191 G C 0.590 175.554 174.900 0.106 0.000 0.982 191 G CA -0.247 44.907 45.100 0.090 0.000 0.662 191 G HN 0.720 nan 8.290 nan 0.000 0.527 192 G N -0.414 108.469 108.800 0.138 0.000 2.444 192 G HA2 0.473 4.440 3.960 0.011 0.000 0.268 192 G HA3 0.473 4.440 3.960 0.011 0.000 0.268 192 G C -0.555 174.389 174.900 0.073 0.000 1.203 192 G CA 0.258 45.429 45.100 0.119 0.000 0.835 192 G HN 0.235 nan 8.290 nan 0.000 0.543 193 D N 2.116 122.550 120.400 0.057 0.000 2.365 193 D HA 0.235 4.881 4.640 0.011 0.000 0.237 193 D C -1.082 175.235 176.300 0.027 0.000 1.190 193 D CA -2.363 51.654 54.000 0.028 0.000 0.867 193 D CB 1.808 42.617 40.800 0.015 0.000 1.050 193 D HN 0.069 nan 8.370 nan 0.000 0.491 194 P HA -0.067 nan 4.420 nan 0.000 0.226 194 P C 1.238 178.538 177.300 0.001 0.000 1.153 194 P CA 0.626 63.737 63.100 0.017 0.000 0.777 194 P CB 0.200 31.898 31.700 -0.002 0.000 0.794 195 M N -1.125 118.456 119.600 -0.031 0.000 2.561 195 M HA 0.067 4.554 4.480 0.011 0.000 0.238 195 M C 0.685 176.913 176.300 -0.121 0.000 1.131 195 M CA 0.511 55.760 55.300 -0.085 0.000 1.046 195 M CB 0.115 32.651 32.600 -0.106 0.000 1.532 195 M HN -0.184 nan 8.290 nan 0.000 0.497 196 S N 0.793 116.471 115.700 -0.036 0.000 2.216 196 S HA 0.407 4.884 4.470 0.011 0.000 0.156 196 S C -1.019 173.627 174.600 0.076 0.000 1.665 196 S CA -0.550 57.650 58.200 0.000 0.000 1.262 196 S CB 0.389 63.582 63.200 -0.012 0.000 1.207 196 S HN -0.021 nan 8.310 nan 0.000 0.427 197 V N 3.850 123.844 119.914 0.135 0.000 2.378 197 V HA 0.499 4.625 4.120 0.011 0.000 0.288 197 V C 0.083 176.321 176.094 0.240 0.000 1.016 197 V CA -0.394 62.012 62.300 0.178 0.000 0.840 197 V CB 1.779 33.716 31.823 0.190 0.000 0.994 197 V HN 0.704 nan 8.190 nan 0.000 0.431 198 T N 6.827 121.501 114.554 0.200 0.000 2.771 198 T HA 0.559 4.916 4.350 0.011 0.000 0.281 198 T C -0.138 174.705 174.700 0.239 0.000 0.982 198 T CA -0.289 61.944 62.100 0.221 0.000 0.978 198 T CB 0.730 69.692 68.868 0.156 0.000 0.930 198 T HN 0.338 nan 8.240 nan 0.000 0.447 199 L N 5.309 126.646 121.223 0.189 0.000 2.331 199 L HA 0.596 4.943 4.340 0.011 0.000 0.278 199 L C -0.305 176.755 176.870 0.316 0.000 1.106 199 L CA -0.711 54.207 54.840 0.129 0.000 0.824 199 L CB 0.183 42.107 42.059 -0.225 0.000 1.142 199 L HN 0.612 nan 8.230 nan 0.000 0.443 200 F N 0.867 120.885 119.950 0.113 0.000 2.613 200 F HA 0.984 5.517 4.527 0.010 0.000 0.314 200 F C -0.225 175.576 175.800 0.001 0.000 1.075 200 F CA -1.592 56.520 58.000 0.187 0.000 0.945 200 F CB 1.701 40.950 39.000 0.414 0.000 1.310 200 F HN 0.460 nan 8.300 nan 0.000 0.467 201 G N 0.955 109.627 108.800 -0.214 0.000 2.547 201 G HA2 0.476 4.443 3.960 0.011 0.000 0.291 201 G HA3 0.476 4.443 3.960 0.011 0.000 0.291 201 G C -2.588 172.068 174.900 -0.406 0.000 1.471 201 G CA -0.788 43.754 45.100 -0.931 0.000 0.798 201 G HN 0.885 nan 8.290 nan 0.000 0.504 202 E N 0.315 120.233 120.200 -0.469 0.000 2.288 202 E HA 0.672 5.029 4.350 0.011 0.000 0.268 202 E C 0.669 177.217 176.600 -0.086 0.000 0.885 202 E CA 0.308 56.685 56.400 -0.037 0.000 0.767 202 E CB 2.245 32.092 29.700 0.245 0.000 1.220 202 E HN 0.985 nan 8.360 nan 0.000 0.427 203 S N 2.394 118.114 115.700 0.034 0.000 4.114 203 S HA -0.393 4.083 4.470 0.011 0.000 0.618 203 S C 1.479 176.181 174.600 0.171 0.000 1.937 203 S CA 2.252 60.545 58.200 0.155 0.000 4.228 203 S CB -1.611 61.592 63.200 0.006 0.000 0.216 203 S HN 1.003 nan 8.310 nan 0.000 0.528 204 A N 0.997 123.784 122.820 -0.056 0.000 2.024 204 A HA 0.114 4.440 4.320 0.011 0.000 0.220 204 A C 2.473 179.798 177.584 -0.432 0.000 1.164 204 A CA 2.531 54.352 52.037 -0.360 0.000 0.643 204 A CB -1.590 16.781 19.000 -1.049 0.000 0.806 204 A HN 1.580 nan 8.150 nan 0.000 0.451 205 G N -0.569 108.019 108.800 -0.353 0.000 2.402 205 G HA2 0.025 3.991 3.960 0.011 0.000 0.216 205 G HA3 0.025 3.991 3.960 0.011 0.000 0.216 205 G C 1.752 176.473 174.900 -0.298 0.000 1.162 205 G CA 1.319 46.157 45.100 -0.438 0.000 0.777 205 G HN 0.777 nan 8.290 nan 0.000 0.539 206 A N 1.306 124.029 122.820 -0.162 0.000 1.902 206 A HA 0.229 4.555 4.320 0.011 0.000 0.217 206 A C 2.841 180.414 177.584 -0.019 0.000 1.181 206 A CA 2.339 54.347 52.037 -0.048 0.000 0.623 206 A CB -0.900 18.134 19.000 0.057 0.000 0.818 206 A HN 0.827 nan 8.150 nan 0.000 0.443 207 A N -0.276 122.565 122.820 0.035 0.000 1.917 207 A HA -0.137 4.189 4.320 0.011 0.000 0.219 207 A C 2.454 180.051 177.584 0.020 0.000 1.182 207 A CA 2.318 54.373 52.037 0.030 0.000 0.633 207 A CB -0.992 18.085 19.000 0.129 0.000 0.819 207 A HN 0.497 nan 8.150 nan 0.000 0.448 208 S N -0.429 115.272 115.700 0.001 0.000 2.356 208 S HA -0.147 4.329 4.470 0.011 0.000 0.223 208 S C 1.889 176.457 174.600 -0.053 0.000 1.032 208 S CA 1.414 59.575 58.200 -0.065 0.000 1.005 208 S CB -0.675 62.427 63.200 -0.164 0.000 0.867 208 S HN 0.345 nan 8.310 nan 0.000 0.449 209 V N 1.871 121.761 119.914 -0.040 0.000 2.282 209 V HA -0.211 3.915 4.120 0.011 0.000 0.249 209 V C 2.641 178.728 176.094 -0.012 0.000 1.057 209 V CA 2.088 64.371 62.300 -0.029 0.000 1.032 209 V CB -1.527 30.250 31.823 -0.078 0.000 0.645 209 V HN 0.617 nan 8.190 nan 0.000 0.447 210 G N -1.257 107.532 108.800 -0.019 0.000 2.432 210 G HA2 -0.261 3.706 3.960 0.011 0.000 0.219 210 G HA3 -0.261 3.706 3.960 0.011 0.000 0.219 210 G C 1.600 176.513 174.900 0.022 0.000 1.135 210 G CA 0.910 46.006 45.100 -0.006 0.000 0.767 210 G HN 0.454 nan 8.290 nan 0.000 0.550 211 M N -0.064 119.527 119.600 -0.016 0.000 2.374 211 M HA 0.036 4.522 4.480 0.011 0.000 0.264 211 M C 2.153 178.487 176.300 0.056 0.000 1.067 211 M CA 0.776 56.085 55.300 0.015 0.000 1.103 211 M CB -0.095 32.487 32.600 -0.029 0.000 1.402 211 M HN 0.217 nan 8.290 nan 0.000 0.444 212 H N -0.528 118.639 119.070 0.161 0.000 2.436 212 H HA 0.077 4.639 4.556 0.010 0.000 0.294 212 H C 2.052 177.575 175.328 0.324 0.000 1.048 212 H CA 1.198 57.361 56.048 0.191 0.000 1.353 212 H CB -0.063 29.697 29.762 -0.004 0.000 1.414 212 H HN 0.405 nan 8.280 nan 0.000 0.536 213 I N 0.701 121.505 120.570 0.389 0.000 2.493 213 I HA -0.192 3.985 4.170 0.011 0.000 0.254 213 I C 1.678 177.983 176.117 0.313 0.000 1.160 213 I CA 0.952 62.515 61.300 0.438 0.000 1.445 213 I CB 0.053 38.224 38.000 0.285 0.000 1.086 213 I HN 0.125 nan 8.210 nan 0.000 0.433 214 L N -1.110 120.242 121.223 0.215 0.000 2.616 214 L HA 0.156 4.503 4.340 0.011 0.000 0.229 214 L C 0.876 177.792 176.870 0.077 0.000 1.110 214 L CA 0.057 54.998 54.840 0.168 0.000 0.884 214 L CB 0.312 42.450 42.059 0.131 0.000 1.115 214 L HN -0.023 nan 8.230 nan 0.000 0.481 215 S N -0.084 115.632 115.700 0.027 0.000 2.474 215 S HA 0.280 4.756 4.470 0.011 0.000 0.321 215 S C 0.728 175.264 174.600 -0.107 0.000 1.080 215 S CA -0.547 57.550 58.200 -0.171 0.000 1.106 215 S CB 1.461 64.293 63.200 -0.614 0.000 0.984 215 S HN 0.187 nan 8.310 nan 0.000 0.464 216 L N 6.616 127.781 121.223 -0.096 0.000 2.042 216 L HA 0.054 4.401 4.340 0.011 0.000 0.210 216 L C -0.897 175.945 176.870 -0.046 0.000 1.076 216 L CA 1.617 56.425 54.840 -0.053 0.000 0.749 216 L CB -0.613 41.416 42.059 -0.051 0.000 0.893 216 L HN 0.519 nan 8.230 nan 0.000 0.432 217 P HA -0.068 nan 4.420 nan 0.000 0.225 217 P C 1.446 178.763 177.300 0.028 0.000 1.148 217 P CA 1.034 64.115 63.100 -0.030 0.000 0.779 217 P CB 0.110 31.784 31.700 -0.044 0.000 0.780 218 S N -0.985 114.753 115.700 0.063 0.000 2.496 218 S HA 0.030 4.507 4.470 0.011 0.000 0.224 218 S C 1.838 176.594 174.600 0.260 0.000 0.996 218 S CA 0.321 58.663 58.200 0.237 0.000 0.927 218 S CB -0.268 63.202 63.200 0.450 0.000 0.774 218 S HN 0.060 nan 8.310 nan 0.000 0.524 219 R N 1.985 122.531 120.500 0.078 0.000 2.096 219 R HA 0.005 4.351 4.340 0.011 0.000 0.235 219 R C 2.341 178.475 176.300 -0.277 0.000 1.127 219 R CA 1.463 57.459 56.100 -0.174 0.000 0.968 219 R CB -1.279 28.954 30.300 -0.111 0.000 0.861 219 R HN 0.553 nan 8.270 nan 0.000 0.440 220 S N 0.146 115.784 115.700 -0.102 0.000 2.660 220 S HA 0.054 4.531 4.470 0.011 0.000 0.228 220 S C 1.651 176.236 174.600 -0.024 0.000 0.966 220 S CA 0.368 58.525 58.200 -0.072 0.000 0.940 220 S CB -0.250 62.932 63.200 -0.030 0.000 0.773 220 S HN 0.226 nan 8.310 nan 0.000 0.535 221 L N 0.140 121.382 121.223 0.032 0.000 2.693 221 L HA 0.477 4.823 4.340 0.011 0.000 0.235 221 L C 0.051 177.078 176.870 0.263 0.000 1.127 221 L CA -0.299 54.629 54.840 0.147 0.000 0.914 221 L CB 0.029 42.199 42.059 0.185 0.000 1.193 221 L HN 0.535 nan 8.230 nan 0.000 0.502 222 F N -4.529 115.459 119.950 0.064 0.000 2.741 222 F HA 0.437 4.970 4.527 0.010 0.000 0.313 222 F C 0.392 176.282 175.800 0.149 0.000 1.153 222 F CA -1.035 57.021 58.000 0.094 0.000 0.931 222 F CB 0.972 40.018 39.000 0.077 0.000 1.335 222 F HN -0.212 nan 8.300 nan 0.000 0.460 223 H N -0.385 118.755 119.070 0.117 0.000 3.091 223 H HA 0.565 5.128 4.556 0.011 0.000 0.249 223 H C -0.243 175.136 175.328 0.085 0.000 0.985 223 H CA 0.274 56.313 56.048 -0.015 0.000 1.177 223 H CB 0.670 30.427 29.762 -0.009 0.000 1.456 223 H HN 0.607 nan 8.280 nan 0.000 0.467 224 R N -0.527 120.130 120.500 0.262 0.000 2.764 224 R HA 0.744 5.090 4.340 0.011 0.000 0.270 224 R C -1.638 174.904 176.300 0.404 0.000 1.014 224 R CA -0.558 55.667 56.100 0.208 0.000 0.904 224 R CB 2.421 32.698 30.300 -0.039 0.000 1.236 224 R HN 0.149 nan 8.270 nan 0.000 0.466 225 A N 1.019 124.078 122.820 0.400 0.000 2.515 225 A HA 0.705 5.032 4.320 0.011 0.000 0.298 225 A C -1.533 176.168 177.584 0.194 0.000 1.059 225 A CA -0.574 51.628 52.037 0.274 0.000 0.698 225 A CB 2.005 21.118 19.000 0.188 0.000 1.289 225 A HN 0.298 nan 8.150 nan 0.000 0.404 226 V N 1.954 121.947 119.914 0.133 0.000 2.483 226 V HA 0.494 4.620 4.120 0.011 0.000 0.297 226 V C -1.284 174.889 176.094 0.132 0.000 1.027 226 V CA -0.285 62.036 62.300 0.035 0.000 0.855 226 V CB 1.325 33.200 31.823 0.087 0.000 0.995 226 V HN 0.683 nan 8.190 nan 0.000 0.424 227 L N 5.148 126.423 121.223 0.086 0.000 2.318 227 L HA 0.521 4.868 4.340 0.011 0.000 0.277 227 L C 0.023 176.999 176.870 0.176 0.000 1.008 227 L CA 0.012 54.913 54.840 0.102 0.000 0.846 227 L CB 1.529 43.602 42.059 0.023 0.000 1.220 227 L HN 0.601 nan 8.230 nan 0.000 0.423 228 Q N 1.921 121.881 119.800 0.267 0.000 2.360 228 Q HA 0.396 4.743 4.340 0.011 0.000 0.254 228 Q C 0.197 176.344 176.000 0.246 0.000 0.975 228 Q CA -0.416 55.605 55.803 0.364 0.000 0.912 228 Q CB 1.062 30.091 28.738 0.486 0.000 1.212 228 Q HN 0.651 nan 8.270 nan 0.000 0.452 229 S N 1.188 117.022 115.700 0.224 0.000 3.631 229 S HA -0.176 4.300 4.470 0.011 0.000 0.366 229 S C 0.037 174.848 174.600 0.351 0.000 0.993 229 S CA 0.505 58.866 58.200 0.269 0.000 1.167 229 S CB -1.199 62.175 63.200 0.290 0.000 0.909 229 S HN 0.975 nan 8.310 nan 0.000 0.478 230 G N -0.501 108.456 108.800 0.261 0.000 2.579 230 G HA2 0.688 4.654 3.960 0.011 0.000 0.292 230 G HA3 0.688 4.654 3.960 0.011 0.000 0.292 230 G C -0.941 174.032 174.900 0.123 0.000 1.484 230 G CA 0.183 45.484 45.100 0.335 0.000 0.813 230 G HN 1.012 nan 8.290 nan 0.000 0.515 231 T N -1.597 112.964 114.554 0.012 0.000 2.885 231 T HA 0.709 5.066 4.350 0.011 0.000 0.322 231 T C -2.459 172.101 174.700 -0.233 0.000 1.387 231 T CA -1.139 60.893 62.100 -0.114 0.000 1.041 231 T CB 2.849 71.633 68.868 -0.141 0.000 1.287 231 T HN 0.315 nan 8.240 nan 0.000 0.491 232 P HA -0.002 nan 4.420 nan 0.000 0.220 232 P C 0.270 177.413 177.300 -0.263 0.000 1.152 232 P CA 0.627 63.606 63.100 -0.202 0.000 0.812 232 P CB -0.103 31.533 31.700 -0.107 0.000 0.792 233 N N 0.867 119.432 118.700 -0.225 0.000 2.424 233 N HA 0.297 5.043 4.740 0.011 0.000 0.257 233 N C 0.712 176.022 175.510 -0.333 0.000 1.250 233 N CA 0.686 53.601 53.050 -0.225 0.000 0.946 233 N CB 0.311 38.705 38.487 -0.155 0.000 1.175 233 N HN 0.223 nan 8.380 nan 0.000 0.477 234 G N -0.359 108.251 108.800 -0.317 0.000 2.479 234 G HA2 -0.103 3.863 3.960 0.011 0.000 0.686 234 G HA3 -0.103 3.863 3.960 0.011 0.000 0.686 234 G C -2.250 172.390 174.900 -0.434 0.000 1.295 234 G CA -0.280 44.576 45.100 -0.407 0.000 0.922 234 G HN 0.512 nan 8.290 nan 0.000 0.582 235 P HA 0.090 nan 4.420 nan 0.000 0.229 235 P C 1.439 178.661 177.300 -0.129 0.000 1.160 235 P CA 2.019 64.963 63.100 -0.260 0.000 0.777 235 P CB -0.038 31.483 31.700 -0.299 0.000 0.814 236 W N -1.577 119.640 121.300 -0.139 0.000 2.873 236 W HA 0.551 5.217 4.660 0.009 0.000 0.282 236 W C 1.135 177.725 176.519 0.117 0.000 1.118 236 W CA 0.425 57.770 57.345 -0.001 0.000 1.480 236 W CB -0.754 28.764 29.460 0.096 0.000 0.954 236 W HN -0.177 nan 8.180 nan 0.000 0.591 237 A N 1.963 124.460 122.820 -0.538 0.000 2.167 237 A HA 0.152 4.479 4.320 0.011 0.000 0.214 237 A C 1.086 178.494 177.584 -0.293 0.000 1.151 237 A CA 1.718 53.510 52.037 -0.408 0.000 0.735 237 A CB -0.783 17.720 19.000 -0.828 0.000 0.802 237 A HN 0.256 nan 8.150 nan 0.000 0.467 238 T N -3.382 111.032 114.554 -0.235 0.000 2.865 238 T HA 0.629 4.985 4.350 0.011 0.000 0.294 238 T C -0.705 173.917 174.700 -0.130 0.000 1.119 238 T CA -0.121 61.860 62.100 -0.199 0.000 1.007 238 T CB 1.467 70.231 68.868 -0.174 0.000 1.225 238 T HN 0.903 nan 8.240 nan 0.000 0.515 239 V N -1.356 118.493 119.914 -0.108 0.000 3.007 239 V HA 0.878 5.005 4.120 0.011 0.000 0.311 239 V C 0.234 176.293 176.094 -0.058 0.000 1.120 239 V CA -0.856 61.397 62.300 -0.078 0.000 0.980 239 V CB 1.325 33.104 31.823 -0.074 0.000 1.033 239 V HN 1.401 nan 8.190 nan 0.000 0.429 240 S N 2.226 117.896 115.700 -0.050 0.000 2.584 240 S HA 0.534 5.011 4.470 0.011 0.000 0.270 240 S C 1.480 176.065 174.600 -0.024 0.000 1.346 240 S CA 0.162 58.341 58.200 -0.036 0.000 1.018 240 S CB 1.201 64.380 63.200 -0.035 0.000 0.899 240 S HN 2.043 nan 8.310 nan 0.000 0.542 241 A N 2.617 125.429 122.820 -0.013 0.000 1.917 241 A HA 0.055 4.381 4.320 0.011 0.000 0.219 241 A C 2.270 179.849 177.584 -0.008 0.000 1.182 241 A CA 1.958 53.992 52.037 -0.004 0.000 0.633 241 A CB -1.932 17.069 19.000 0.002 0.000 0.819 241 A HN 1.218 nan 8.150 nan 0.000 0.448 242 G N -0.477 108.314 108.800 -0.015 0.000 2.446 242 G HA2 -0.297 3.670 3.960 0.011 0.000 0.217 242 G HA3 -0.297 3.670 3.960 0.011 0.000 0.217 242 G C 1.486 176.371 174.900 -0.024 0.000 1.168 242 G CA 1.511 46.600 45.100 -0.018 0.000 0.771 242 G HN 0.595 nan 8.290 nan 0.000 0.551 243 E N 0.970 121.150 120.200 -0.033 0.000 2.072 243 E HA 0.086 4.442 4.350 0.011 0.000 0.191 243 E C 2.670 179.243 176.600 -0.046 0.000 0.985 243 E CA 1.437 57.809 56.400 -0.048 0.000 0.801 243 E CB -0.618 29.045 29.700 -0.061 0.000 0.750 243 E HN 0.280 nan 8.360 nan 0.000 0.452 244 A N 0.837 123.641 122.820 -0.026 0.000 1.933 244 A HA -0.179 4.147 4.320 0.011 0.000 0.218 244 A C 2.284 179.884 177.584 0.027 0.000 1.175 244 A CA 1.726 53.767 52.037 0.006 0.000 0.628 244 A CB -0.612 18.408 19.000 0.034 0.000 0.814 244 A HN 0.270 nan 8.150 nan 0.000 0.444 245 R N -0.530 119.975 120.500 0.009 0.000 2.073 245 R HA -0.146 4.200 4.340 0.011 0.000 0.234 245 R C 2.454 178.756 176.300 0.004 0.000 1.134 245 R CA 1.694 57.798 56.100 0.006 0.000 0.952 245 R CB -0.328 29.969 30.300 -0.004 0.000 0.850 245 R HN 0.526 nan 8.270 nan 0.000 0.433 246 R N 0.297 120.791 120.500 -0.009 0.000 2.096 246 R HA -0.173 4.173 4.340 0.011 0.000 0.240 246 R C 2.341 178.638 176.300 -0.005 0.000 1.139 246 R CA 2.064 58.154 56.100 -0.015 0.000 0.952 246 R CB -0.112 30.169 30.300 -0.032 0.000 0.854 246 R HN 0.271 nan 8.270 nan 0.000 0.436 247 R N -0.317 120.176 120.500 -0.012 0.000 2.070 247 R HA -0.105 4.241 4.340 0.011 0.000 0.233 247 R C 2.387 178.790 176.300 0.170 0.000 1.137 247 R CA 1.512 57.613 56.100 0.001 0.000 0.945 247 R CB -0.450 29.738 30.300 -0.186 0.000 0.845 247 R HN 0.261 nan 8.270 nan 0.000 0.430 248 A N 0.566 123.505 122.820 0.198 0.000 1.908 248 A HA -0.165 4.162 4.320 0.011 0.000 0.218 248 A C 2.174 179.784 177.584 0.043 0.000 1.181 248 A CA 2.060 54.179 52.037 0.137 0.000 0.627 248 A CB -0.835 18.181 19.000 0.026 0.000 0.818 248 A HN 0.344 nan 8.150 nan 0.000 0.445 249 T N -0.054 114.514 114.554 0.025 0.000 2.821 249 T HA -0.089 4.268 4.350 0.011 0.000 0.267 249 T C 1.810 176.516 174.700 0.009 0.000 1.046 249 T CA 1.331 63.431 62.100 0.001 0.000 1.139 249 T CB -0.313 68.552 68.868 -0.006 0.000 0.871 249 T HN 0.298 nan 8.240 nan 0.000 0.454 250 L N 1.225 122.464 121.223 0.026 0.000 2.005 250 L HA 0.137 4.484 4.340 0.011 0.000 0.207 250 L C 2.216 179.110 176.870 0.040 0.000 1.072 250 L CA 1.453 56.308 54.840 0.025 0.000 0.744 250 L CB -1.146 40.926 42.059 0.022 0.000 0.895 250 L HN 0.171 nan 8.230 nan 0.000 0.433 251 L N -0.046 121.234 121.223 0.096 0.000 2.043 251 L HA -0.182 4.164 4.340 0.011 0.000 0.212 251 L C 2.517 179.396 176.870 0.014 0.000 1.075 251 L CA 2.123 57.024 54.840 0.102 0.000 0.752 251 L CB -0.902 41.270 42.059 0.188 0.000 0.891 251 L HN 0.341 nan 8.230 nan 0.000 0.432 252 A N -0.378 122.440 122.820 -0.004 0.000 1.865 252 A HA -0.277 4.050 4.320 0.011 0.000 0.217 252 A C 2.384 179.949 177.584 -0.031 0.000 1.191 252 A CA 2.105 54.126 52.037 -0.027 0.000 0.623 252 A CB -0.676 18.302 19.000 -0.036 0.000 0.826 252 A HN 0.502 nan 8.150 nan 0.000 0.444 253 R N -0.643 119.841 120.500 -0.027 0.000 2.113 253 R HA -0.158 4.189 4.340 0.011 0.000 0.244 253 R C 2.085 178.347 176.300 -0.063 0.000 1.142 253 R CA 1.771 57.850 56.100 -0.034 0.000 0.953 253 R CB -0.676 29.608 30.300 -0.026 0.000 0.860 253 R HN 0.550 nan 8.270 nan 0.000 0.438 254 L N 0.682 121.851 121.223 -0.090 0.000 2.191 254 L HA -0.119 4.228 4.340 0.011 0.000 0.212 254 L C 2.058 178.738 176.870 -0.317 0.000 1.103 254 L CA 0.857 55.576 54.840 -0.200 0.000 0.769 254 L CB -0.274 41.657 42.059 -0.213 0.000 0.908 254 L HN 0.204 nan 8.230 nan 0.000 0.438 255 V N -4.198 115.606 119.914 -0.183 0.000 3.542 255 V HA 0.498 4.625 4.120 0.011 0.000 0.296 255 V C 1.183 177.259 176.094 -0.030 0.000 1.364 255 V CA 0.333 62.571 62.300 -0.102 0.000 1.118 255 V CB -0.065 31.756 31.823 -0.004 0.000 0.972 255 V HN 0.444 nan 8.190 nan 0.000 0.430 256 G N -0.359 108.417 108.800 -0.039 0.000 2.131 256 G HA2 -0.224 3.743 3.960 0.011 0.000 0.223 256 G HA3 -0.224 3.743 3.960 0.011 0.000 0.223 256 G C 0.034 174.931 174.900 -0.006 0.000 0.990 256 G CA -0.087 45.005 45.100 -0.014 0.000 0.671 256 G HN 0.651 nan 8.290 nan 0.000 0.521 257 c N 3.062 121.655 118.600 -0.012 0.000 2.136 257 c HA 0.519 5.096 4.570 0.011 0.000 0.381 257 c C -1.378 172.704 174.090 -0.013 0.000 1.039 257 c CA -1.666 54.659 56.329 -0.007 0.000 1.491 257 c CB 0.005 42.512 42.510 -0.006 0.000 1.663 257 c HN 0.443 nan 8.230 nan 0.000 0.470 258 P HA 0.238 nan 4.420 nan 0.000 0.275 258 P C -2.035 175.258 177.300 -0.011 0.000 1.228 258 P CA -0.861 62.232 63.100 -0.011 0.000 0.786 258 P CB -0.103 31.592 31.700 -0.008 0.000 0.927 266 D N 1.528 121.922 120.400 -0.009 0.000 2.219 266 D HA -0.049 4.597 4.640 0.011 0.000 0.205 266 D C 1.366 177.658 176.300 -0.013 0.000 0.970 266 D CA 1.544 55.534 54.000 -0.017 0.000 0.851 266 D CB 0.210 41.000 40.800 -0.017 0.000 0.943 266 D HN 0.550 nan 8.370 nan 0.000 0.488 267 T N 0.603 115.156 114.554 -0.002 0.000 2.732 267 T HA -0.101 4.256 4.350 0.011 0.000 0.261 267 T C 1.787 176.493 174.700 0.009 0.000 1.040 267 T CA 0.755 62.859 62.100 0.007 0.000 1.145 267 T CB -0.124 68.751 68.868 0.012 0.000 0.866 267 T HN 0.199 nan 8.240 nan 0.000 0.427 268 E N 0.452 120.656 120.200 0.006 0.000 2.114 268 E HA -0.180 4.177 4.350 0.011 0.000 0.199 268 E C 2.122 178.724 176.600 0.004 0.000 1.008 268 E CA 1.104 57.508 56.400 0.007 0.000 0.810 268 E CB -0.234 29.468 29.700 0.004 0.000 0.739 268 E HN 0.349 nan 8.360 nan 0.000 0.456 269 L N 0.351 121.569 121.223 -0.008 0.000 2.023 269 L HA -0.144 4.202 4.340 0.011 0.000 0.205 269 L C 2.296 179.150 176.870 -0.026 0.000 1.073 269 L CA 1.024 55.851 54.840 -0.021 0.000 0.745 269 L CB -0.103 41.934 42.059 -0.037 0.000 0.900 269 L HN 0.100 nan 8.230 nan 0.000 0.435 270 I N -0.037 120.511 120.570 -0.037 0.000 2.208 270 I HA -0.310 3.867 4.170 0.011 0.000 0.245 270 I C 2.723 178.885 176.117 0.076 0.000 1.097 270 I CA 1.196 62.476 61.300 -0.033 0.000 1.363 270 I CB -0.601 37.379 38.000 -0.033 0.000 1.051 270 I HN 0.354 nan 8.210 nan 0.000 0.413 271 A N -0.139 122.717 122.820 0.060 0.000 1.873 271 A HA -0.334 3.992 4.320 0.011 0.000 0.218 271 A C 2.563 180.190 177.584 0.070 0.000 1.193 271 A CA 2.149 54.228 52.037 0.070 0.000 0.629 271 A CB -1.519 17.508 19.000 0.045 0.000 0.826 271 A HN 0.635 nan 8.150 nan 0.000 0.447 272 c N -0.488 118.140 118.600 0.048 0.000 2.413 272 c HA -0.103 4.473 4.570 0.011 0.000 0.276 272 c C 2.617 176.747 174.090 0.066 0.000 1.236 272 c CA 1.292 57.647 56.329 0.043 0.000 1.735 272 c CB -1.672 40.852 42.510 0.023 0.000 2.031 272 c HN 0.593 nan 8.230 nan 0.000 0.474 273 L N 0.198 121.470 121.223 0.082 0.000 2.127 273 L HA -0.162 4.185 4.340 0.011 0.000 0.211 273 L C 3.012 180.021 176.870 0.231 0.000 1.089 273 L CA 1.629 56.557 54.840 0.147 0.000 0.757 273 L CB -0.619 41.511 42.059 0.118 0.000 0.899 273 L HN 0.390 nan 8.230 nan 0.000 0.434 274 R N -0.717 119.920 120.500 0.228 0.000 2.189 274 R HA -0.103 4.243 4.340 0.011 0.000 0.218 274 R C 2.165 178.500 176.300 0.059 0.000 1.074 274 R CA 1.654 57.833 56.100 0.131 0.000 0.991 274 R CB -0.255 30.114 30.300 0.115 0.000 0.883 274 R HN 0.508 nan 8.270 nan 0.000 0.457 275 T N -1.659 112.933 114.554 0.062 0.000 3.088 275 T HA 0.115 4.471 4.350 0.011 0.000 0.259 275 T C 0.982 175.706 174.700 0.039 0.000 1.122 275 T CA -0.074 62.050 62.100 0.040 0.000 1.095 275 T CB 0.149 69.039 68.868 0.037 0.000 0.930 275 T HN -0.144 nan 8.240 nan 0.000 0.508 276 R N 2.737 123.269 120.500 0.053 0.000 2.539 276 R HA 0.388 4.734 4.340 0.011 0.000 0.275 276 R C -2.766 173.557 176.300 0.038 0.000 1.077 276 R CA -2.389 53.742 56.100 0.052 0.000 1.097 276 R CB -0.006 30.335 30.300 0.068 0.000 1.018 276 R HN 0.245 nan 8.270 nan 0.000 0.483 277 P HA 0.119 nan 4.420 nan 0.000 0.280 277 P C 0.200 177.489 177.300 -0.019 0.000 1.244 277 P CA -0.050 63.050 63.100 -0.000 0.000 0.784 277 P CB 0.833 32.538 31.700 0.009 0.000 0.913 278 A N 3.077 125.835 122.820 -0.104 0.000 1.929 278 A HA -0.337 3.989 4.320 0.011 0.000 0.221 278 A C 2.179 179.658 177.584 -0.175 0.000 1.211 278 A CA 2.354 54.280 52.037 -0.185 0.000 0.657 278 A CB -1.475 16.980 19.000 -0.908 0.000 0.827 278 A HN 0.547 nan 8.150 nan 0.000 0.462 279 Q N -0.484 119.186 119.800 -0.218 0.000 2.170 279 Q HA -0.158 4.189 4.340 0.011 0.000 0.203 279 Q C 1.473 177.527 176.000 0.091 0.000 0.976 279 Q CA 1.960 57.780 55.803 0.028 0.000 0.858 279 Q CB -0.377 28.424 28.738 0.104 0.000 0.907 279 Q HN 0.655 nan 8.270 nan 0.000 0.433 280 D N -0.631 119.816 120.400 0.078 0.000 2.144 280 D HA -0.127 4.520 4.640 0.011 0.000 0.199 280 D C 1.735 178.148 176.300 0.187 0.000 0.984 280 D CA 0.948 55.028 54.000 0.134 0.000 0.834 280 D CB -0.055 40.835 40.800 0.150 0.000 0.955 280 D HN 0.311 nan 8.370 nan 0.000 0.465 281 L N -0.076 121.221 121.223 0.124 0.000 2.027 281 L HA -0.127 4.219 4.340 0.011 0.000 0.206 281 L C 2.543 179.488 176.870 0.125 0.000 1.074 281 L CA 0.576 55.457 54.840 0.068 0.000 0.745 281 L CB -0.518 41.444 42.059 -0.163 0.000 0.898 281 L HN -0.056 nan 8.230 nan 0.000 0.433 282 V N -0.149 119.885 119.914 0.200 0.000 2.295 282 V HA -0.290 3.837 4.120 0.011 0.000 0.246 282 V C 1.967 178.169 176.094 0.180 0.000 1.049 282 V CA 1.922 64.389 62.300 0.278 0.000 1.024 282 V CB -0.567 31.510 31.823 0.423 0.000 0.648 282 V HN 0.415 nan 8.190 nan 0.000 0.447 283 D N -1.137 119.325 120.400 0.102 0.000 2.354 283 D HA -0.139 4.507 4.640 0.011 0.000 0.216 283 D C 1.695 177.879 176.300 -0.194 0.000 0.970 283 D CA 1.344 55.314 54.000 -0.050 0.000 0.905 283 D CB -0.187 40.524 40.800 -0.148 0.000 0.903 283 D HN 0.670 nan 8.370 nan 0.000 0.508 284 H N -1.460 117.678 119.070 0.113 0.000 3.170 284 H HA 0.099 4.661 4.556 0.011 0.000 0.264 284 H C 1.659 177.046 175.328 0.098 0.000 1.113 284 H CA 0.035 56.162 56.048 0.132 0.000 1.194 284 H CB 0.693 30.573 29.762 0.197 0.000 1.553 284 H HN 0.177 nan 8.280 nan 0.000 0.538 285 E N 0.828 121.172 120.200 0.239 0.000 2.204 285 E HA -0.224 4.133 4.350 0.011 0.000 0.195 285 E C 1.603 178.410 176.600 0.346 0.000 0.990 285 E CA 0.761 57.391 56.400 0.382 0.000 0.821 285 E CB -0.328 29.636 29.700 0.441 0.000 0.750 285 E HN 0.610 nan 8.360 nan 0.000 0.477 286 W N 1.320 122.514 121.300 -0.178 0.000 2.402 286 W HA -0.132 4.535 4.660 0.010 0.000 0.286 286 W C 1.434 177.883 176.519 -0.118 0.000 1.221 286 W CA 0.797 58.004 57.345 -0.231 0.000 1.257 286 W CB 0.098 29.337 29.460 -0.369 0.000 1.120 286 W HN 0.273 nan 8.180 nan 0.000 0.551 287 H N -0.370 118.812 119.070 0.187 0.000 2.559 287 H HA -0.082 4.481 4.556 0.011 0.000 0.273 287 H C 2.046 177.363 175.328 -0.018 0.000 1.000 287 H CA 1.429 57.518 56.048 0.069 0.000 1.195 287 H CB -0.831 29.021 29.762 0.149 0.000 1.368 287 H HN 0.220 nan 8.280 nan 0.000 0.592 288 V N -1.889 118.059 119.914 0.058 0.000 3.649 288 V HA 0.180 4.307 4.120 0.011 0.000 0.275 288 V C 0.867 176.867 176.094 -0.156 0.000 1.281 288 V CA -0.072 62.212 62.300 -0.027 0.000 1.143 288 V CB -0.637 31.186 31.823 -0.000 0.000 0.892 288 V HN -0.014 nan 8.190 nan 0.000 0.441 289 L N 2.380 123.453 121.223 -0.249 0.000 2.416 289 L HA 0.293 4.639 4.340 0.011 0.000 0.272 289 L C -0.313 176.421 176.870 -0.227 0.000 1.161 289 L CA -1.137 53.512 54.840 -0.318 0.000 0.845 289 L CB 1.014 42.752 42.059 -0.534 0.000 1.119 289 L HN 0.126 nan 8.230 nan 0.000 0.464 290 P HA -0.089 nan 4.420 nan 0.000 0.221 290 P C -0.326 176.899 177.300 -0.125 0.000 1.150 290 P CA 1.082 64.102 63.100 -0.133 0.000 0.800 290 P CB 0.442 32.073 31.700 -0.115 0.000 0.787 291 Q N -1.169 118.540 119.800 -0.151 0.000 2.456 291 Q HA 0.340 4.686 4.340 0.011 0.000 0.284 291 Q C -0.743 175.165 176.000 -0.153 0.000 1.061 291 Q CA -0.779 54.949 55.803 -0.125 0.000 0.799 291 Q CB 1.248 29.928 28.738 -0.096 0.000 1.445 291 Q HN -0.060 nan 8.270 nan 0.000 0.411 292 E N 1.088 121.223 120.200 -0.108 0.000 2.585 292 E HA 0.258 4.615 4.350 0.011 0.000 0.252 292 E C -0.991 175.553 176.600 -0.093 0.000 0.981 292 E CA 0.237 56.582 56.400 -0.091 0.000 0.943 292 E CB 0.246 29.922 29.700 -0.039 0.000 0.923 292 E HN 0.573 nan 8.360 nan 0.000 0.486 293 S N 3.501 119.134 115.700 -0.111 0.000 2.567 293 S HA 0.560 5.037 4.470 0.011 0.000 0.270 293 S C -0.687 173.881 174.600 -0.055 0.000 1.152 293 S CA -1.028 57.115 58.200 -0.096 0.000 0.835 293 S CB 0.571 63.683 63.200 -0.146 0.000 1.115 293 S HN 0.541 nan 8.310 nan 0.000 0.459 294 I N -2.062 118.495 120.570 -0.022 0.000 2.846 294 I HA 0.871 5.048 4.170 0.011 0.000 0.307 294 I C -0.116 175.966 176.117 -0.058 0.000 1.053 294 I CA -1.088 60.227 61.300 0.026 0.000 1.050 294 I CB 1.133 39.202 38.000 0.115 0.000 1.239 294 I HN 0.833 nan 8.210 nan 0.000 0.439 295 F N 1.972 121.694 119.950 -0.380 0.000 3.071 295 F HA -0.173 4.360 4.527 0.011 0.000 0.295 295 F C -0.436 174.794 175.800 -0.949 0.000 0.919 295 F CA 0.572 58.086 58.000 -0.811 0.000 1.050 295 F CB -0.611 37.877 39.000 -0.853 0.000 1.040 295 F HN 0.612 nan 8.300 nan 0.000 0.692 296 R N 0.601 120.597 120.500 -0.840 0.000 2.621 296 R HA 0.625 4.972 4.340 0.011 0.000 0.284 296 R C -1.021 174.807 176.300 -0.787 0.000 0.998 296 R CA -0.550 55.127 56.100 -0.705 0.000 0.895 296 R CB 1.365 31.459 30.300 -0.344 0.000 1.195 296 R HN 0.013 nan 8.270 nan 0.000 0.450 297 F N -0.650 119.402 119.950 0.170 0.000 2.551 297 F HA 0.358 4.891 4.527 0.010 0.000 0.316 297 F C 1.461 177.308 175.800 0.078 0.000 1.089 297 F CA -0.807 57.338 58.000 0.242 0.000 0.915 297 F CB 1.889 41.117 39.000 0.380 0.000 1.186 297 F HN 0.352 nan 8.300 nan 0.000 0.456 298 S N 0.615 116.436 115.700 0.202 0.000 2.357 298 S HA 0.019 4.496 4.470 0.011 0.000 0.221 298 S C 0.009 174.270 174.600 -0.565 0.000 1.031 298 S CA 1.020 59.057 58.200 -0.271 0.000 0.982 298 S CB -0.195 62.820 63.200 -0.310 0.000 0.853 298 S HN 0.360 nan 8.310 nan 0.000 0.458 299 F N 1.980 122.084 119.950 0.257 0.000 2.366 299 F HA 0.562 5.095 4.527 0.011 0.000 0.366 299 F C -0.040 175.842 175.800 0.137 0.000 1.096 299 F CA -1.004 57.135 58.000 0.232 0.000 1.060 299 F CB 1.226 40.403 39.000 0.296 0.000 1.282 299 F HN -0.094 nan 8.300 nan 0.000 0.450 300 V N 0.660 120.579 119.914 0.008 0.000 3.141 300 V HA 0.757 4.883 4.120 0.011 0.000 0.312 300 V C -2.897 172.875 176.094 -0.537 0.000 1.157 300 V CA -3.403 58.561 62.300 -0.561 0.000 1.041 300 V CB 2.084 33.728 31.823 -0.297 0.000 1.071 300 V HN 0.235 nan 8.190 nan 0.000 0.441 301 P HA 0.083 nan 4.420 nan 0.000 0.261 301 P C -0.517 176.671 177.300 -0.188 0.000 1.173 301 P CA 0.604 63.473 63.100 -0.385 0.000 0.760 301 P CB 0.476 31.878 31.700 -0.496 0.000 0.783 302 V N 5.585 125.469 119.914 -0.051 0.000 2.539 302 V HA 0.182 4.308 4.120 0.011 0.000 0.292 302 V C -0.132 175.954 176.094 -0.014 0.000 1.045 302 V CA -0.717 61.568 62.300 -0.024 0.000 0.945 302 V CB 1.760 33.598 31.823 0.025 0.000 0.993 302 V HN 0.136 nan 8.190 nan 0.000 0.464 303 V N 7.493 127.396 119.914 -0.017 0.000 2.364 303 V HA 0.159 4.285 4.120 0.011 0.000 0.252 303 V C 0.817 176.924 176.094 0.022 0.000 1.075 303 V CA 0.327 62.629 62.300 0.004 0.000 1.033 303 V CB 0.182 31.998 31.823 -0.012 0.000 1.116 303 V HN 1.067 nan 8.190 nan 0.000 0.488 304 D N 2.800 123.229 120.400 0.049 0.000 2.360 304 D HA 0.106 4.752 4.640 0.011 0.000 0.210 304 D C 1.476 177.807 176.300 0.051 0.000 1.047 304 D CA 0.594 54.625 54.000 0.053 0.000 0.854 304 D CB 0.322 41.166 40.800 0.075 0.000 0.936 304 D HN 0.687 nan 8.370 nan 0.000 0.514 305 G N 0.798 109.628 108.800 0.050 0.000 2.198 305 G HA2 -0.306 3.661 3.960 0.011 0.000 0.260 305 G HA3 -0.306 3.661 3.960 0.011 0.000 0.260 305 G C 0.231 175.160 174.900 0.049 0.000 1.025 305 G CA 0.792 45.917 45.100 0.041 0.000 0.769 305 G HN 0.557 nan 8.290 nan 0.000 0.507 306 D N -1.961 118.486 120.400 0.078 0.000 2.845 306 D HA 0.154 4.801 4.640 0.011 0.000 0.155 306 D C 1.563 177.925 176.300 0.104 0.000 1.490 306 D CA 0.403 54.454 54.000 0.084 0.000 1.548 306 D CB -0.723 40.138 40.800 0.102 0.000 1.523 306 D HN 0.090 nan 8.370 nan 0.000 0.233 307 F N 1.283 121.252 119.950 0.032 0.000 2.171 307 F HA 0.281 4.814 4.527 0.010 0.000 0.300 307 F C 0.551 176.363 175.800 0.020 0.000 1.090 307 F CA 1.112 59.132 58.000 0.034 0.000 1.293 307 F CB 0.292 39.313 39.000 0.037 0.000 1.013 307 F HN -0.019 nan 8.300 nan 0.000 0.486 308 L N 0.790 122.179 121.223 0.277 0.000 2.353 308 L HA 0.189 4.536 4.340 0.011 0.000 0.270 308 L C 1.333 178.252 176.870 0.081 0.000 1.003 308 L CA -0.265 54.671 54.840 0.160 0.000 0.862 308 L CB 1.360 43.507 42.059 0.145 0.000 1.221 308 L HN 0.039 nan 8.230 nan 0.000 0.430 309 S N 0.385 116.112 115.700 0.045 0.000 2.442 309 S HA -0.038 4.439 4.470 0.011 0.000 0.236 309 S C 0.492 175.105 174.600 0.021 0.000 1.007 309 S CA 0.663 58.879 58.200 0.026 0.000 0.965 309 S CB 0.142 63.347 63.200 0.008 0.000 0.773 309 S HN 0.690 nan 8.310 nan 0.000 0.504 310 D N 0.049 120.462 120.400 0.023 0.000 2.671 310 D HA 0.263 4.909 4.640 0.011 0.000 0.273 310 D C -1.011 175.294 176.300 0.009 0.000 1.264 310 D CA -0.019 53.988 54.000 0.012 0.000 0.788 310 D CB 1.529 42.334 40.800 0.007 0.000 1.324 310 D HN 0.205 nan 8.370 nan 0.000 0.424 311 T N -0.134 114.417 114.554 -0.006 0.000 2.933 311 T HA 0.142 4.498 4.350 0.011 0.000 0.306 311 T C -1.741 172.949 174.700 -0.017 0.000 1.045 311 T CA -0.595 61.492 62.100 -0.022 0.000 1.143 311 T CB 0.810 69.658 68.868 -0.033 0.000 1.003 311 T HN 0.127 nan 8.240 nan 0.000 0.540 312 P HA -0.172 nan 4.420 nan 0.000 0.218 312 P C 1.468 178.754 177.300 -0.023 0.000 1.150 312 P CA 1.128 64.210 63.100 -0.029 0.000 0.841 312 P CB 0.098 31.751 31.700 -0.078 0.000 0.784 313 E N -0.724 119.453 120.200 -0.038 0.000 2.047 313 E HA -0.177 4.180 4.350 0.011 0.000 0.191 313 E C 1.932 178.532 176.600 -0.000 0.000 0.987 313 E CA 1.283 57.666 56.400 -0.029 0.000 0.799 313 E CB -0.354 29.322 29.700 -0.041 0.000 0.752 313 E HN 0.100 nan 8.360 nan 0.000 0.449 314 A N 1.029 123.850 122.820 0.001 0.000 1.898 314 A HA -0.116 4.210 4.320 0.011 0.000 0.216 314 A C 2.223 179.828 177.584 0.035 0.000 1.181 314 A CA 0.907 52.951 52.037 0.012 0.000 0.620 314 A CB -0.553 18.449 19.000 0.004 0.000 0.819 314 A HN 0.242 nan 8.150 nan 0.000 0.442 315 L N -0.105 121.146 121.223 0.047 0.000 2.141 315 L HA -0.109 4.238 4.340 0.011 0.000 0.209 315 L C 2.528 179.506 176.870 0.179 0.000 1.094 315 L CA 1.422 56.314 54.840 0.087 0.000 0.763 315 L CB -0.593 41.517 42.059 0.086 0.000 0.908 315 L HN 0.677 nan 8.230 nan 0.000 0.437 316 I N -3.186 117.474 120.570 0.151 0.000 2.761 316 I HA -0.073 4.103 4.170 0.011 0.000 0.261 316 I C 1.863 178.095 176.117 0.191 0.000 1.198 316 I CA 1.053 62.473 61.300 0.201 0.000 1.482 316 I CB -0.338 37.685 38.000 0.038 0.000 1.100 316 I HN 0.121 nan 8.210 nan 0.000 0.445 317 N N 1.405 120.169 118.700 0.107 0.000 2.331 317 N HA -0.091 4.655 4.740 0.011 0.000 0.180 317 N C 1.684 177.241 175.510 0.078 0.000 1.019 317 N CA 2.001 55.099 53.050 0.080 0.000 0.881 317 N CB -0.135 38.376 38.487 0.041 0.000 0.972 317 N HN 0.712 nan 8.380 nan 0.000 0.435 318 T N -4.737 109.858 114.554 0.070 0.000 3.016 318 T HA 0.303 4.659 4.350 0.011 0.000 0.271 318 T C 0.945 175.609 174.700 -0.059 0.000 0.968 318 T CA -0.271 61.837 62.100 0.012 0.000 0.891 318 T CB 0.034 68.900 68.868 -0.004 0.000 1.149 318 T HN 0.035 nan 8.240 nan 0.000 0.524 319 G N 1.295 110.045 108.800 -0.083 0.000 2.544 319 G HA2 0.410 4.376 3.960 0.011 0.000 0.242 319 G HA3 0.410 4.376 3.960 0.011 0.000 0.242 319 G C -0.964 173.473 174.900 -0.772 0.000 1.247 319 G CA -0.282 44.531 45.100 -0.480 0.000 0.840 319 G HN 0.356 nan 8.290 nan 0.000 0.578 320 D N -0.171 119.742 120.400 -0.813 0.000 2.233 320 D HA 0.440 5.087 4.640 0.011 0.000 0.240 320 D C -0.610 175.269 176.300 -0.701 0.000 1.074 320 D CA -0.680 52.991 54.000 -0.548 0.000 0.838 320 D CB 0.787 41.423 40.800 -0.273 0.000 1.124 320 D HN 0.105 nan 8.370 nan 0.000 0.475 321 F N 2.050 122.001 119.950 0.001 0.000 2.749 321 F HA 0.161 4.695 4.527 0.011 0.000 0.380 321 F C 1.603 177.401 175.800 -0.004 0.000 1.365 321 F CA -0.448 57.553 58.000 0.002 0.000 1.186 321 F CB 0.301 39.309 39.000 0.014 0.000 1.080 321 F HN 0.408 nan 8.300 nan 0.000 0.513 322 Q N 0.011 119.867 119.800 0.093 0.000 1.990 322 Q HA -0.107 4.239 4.340 0.011 0.000 0.200 322 Q C 1.001 177.028 176.000 0.045 0.000 0.980 322 Q CA 1.843 57.683 55.803 0.062 0.000 0.832 322 Q CB -0.065 28.688 28.738 0.025 0.000 0.897 322 Q HN 0.339 nan 8.270 nan 0.000 0.427 323 D N -1.215 119.200 120.400 0.024 0.000 2.894 323 D HA -0.202 4.445 4.640 0.011 0.000 0.222 323 D C -0.805 175.494 176.300 -0.002 0.000 1.172 323 D CA 1.540 55.550 54.000 0.017 0.000 1.979 323 D CB -1.130 39.687 40.800 0.028 0.000 1.320 323 D HN 0.241 nan 8.370 nan 0.000 0.570 324 L N 1.232 122.479 121.223 0.041 0.000 2.408 324 L HA 0.652 4.998 4.340 0.011 0.000 0.268 324 L C -1.322 175.575 176.870 0.044 0.000 0.986 324 L CA -0.286 54.578 54.840 0.039 0.000 0.820 324 L CB 1.816 43.962 42.059 0.145 0.000 1.303 324 L HN 0.184 nan 8.230 nan 0.000 0.411 325 Q N 3.910 123.732 119.800 0.038 0.000 2.331 325 Q HA 0.772 5.118 4.340 0.011 0.000 0.267 325 Q C -1.499 174.722 176.000 0.369 0.000 1.006 325 Q CA -0.722 55.173 55.803 0.153 0.000 0.818 325 Q CB 2.708 31.476 28.738 0.050 0.000 1.276 325 Q HN 0.493 nan 8.270 nan 0.000 0.450 326 V N 2.382 122.486 119.914 0.316 0.000 2.709 326 V HA 0.535 4.661 4.120 0.011 0.000 0.308 326 V C -1.102 174.913 176.094 -0.130 0.000 1.062 326 V CA -0.925 61.458 62.300 0.139 0.000 0.901 326 V CB 1.882 33.712 31.823 0.012 0.000 1.003 326 V HN 0.648 nan 8.190 nan 0.000 0.425 327 L N 5.906 126.824 121.223 -0.509 0.000 2.325 327 L HA 0.891 5.237 4.340 0.011 0.000 0.281 327 L C -0.486 176.232 176.870 -0.253 0.000 1.004 327 L CA -0.279 54.185 54.840 -0.625 0.000 0.823 327 L CB 1.537 42.758 42.059 -1.396 0.000 1.236 327 L HN 0.724 nan 8.230 nan 0.000 0.415 328 V N 1.976 121.823 119.914 -0.111 0.000 2.962 328 V HA 1.123 5.249 4.120 0.011 0.000 0.313 328 V C -0.224 175.649 176.094 -0.367 0.000 1.099 328 V CA 0.255 62.484 62.300 -0.117 0.000 0.971 328 V CB 1.261 32.988 31.823 -0.160 0.000 1.028 328 V HN 0.969 nan 8.190 nan 0.000 0.430 329 G N 1.024 109.446 108.800 -0.630 0.000 2.488 329 G HA2 0.752 4.719 3.960 0.011 0.000 0.301 329 G HA3 0.752 4.719 3.960 0.011 0.000 0.301 329 G C -1.211 173.370 174.900 -0.532 0.000 1.339 329 G CA 0.058 44.383 45.100 -1.292 0.000 0.803 329 G HN 2.064 nan 8.290 nan 0.000 0.482 330 V N -2.113 117.630 119.914 -0.285 0.000 3.078 330 V HA 0.898 5.025 4.120 0.011 0.000 0.311 330 V C 0.424 176.732 176.094 0.356 0.000 1.138 330 V CA -0.517 61.850 62.300 0.111 0.000 1.007 330 V CB 1.043 32.901 31.823 0.058 0.000 1.045 330 V HN 1.821 nan 8.190 nan 0.000 0.432 331 V N 0.243 120.389 119.914 0.387 0.000 3.036 331 V HA 0.516 4.642 4.120 0.011 0.000 0.308 331 V C 1.439 177.736 176.094 0.339 0.000 1.070 331 V CA -0.015 62.556 62.300 0.452 0.000 1.056 331 V CB 1.057 33.143 31.823 0.439 0.000 1.084 331 V HN 1.038 nan 8.190 nan 0.000 0.471 332 K N -0.113 120.476 120.400 0.315 0.000 2.097 332 K HA -0.080 4.246 4.320 0.011 0.000 0.206 332 K C 0.401 177.129 176.600 0.214 0.000 1.049 332 K CA 1.868 58.294 56.287 0.232 0.000 0.933 332 K CB 0.067 32.679 32.500 0.187 0.000 0.717 332 K HN 0.901 nan 8.250 nan 0.000 0.442 333 D N 0.814 121.350 120.400 0.227 0.000 2.749 333 D HA 0.025 4.671 4.640 0.011 0.000 0.338 333 D C 0.148 176.589 176.300 0.234 0.000 1.236 333 D CA -0.048 54.075 54.000 0.206 0.000 0.845 333 D CB 1.201 42.102 40.800 0.169 0.000 1.080 333 D HN 0.107 nan 8.370 nan 0.000 0.497 334 E N 0.475 120.829 120.200 0.258 0.000 2.147 334 E HA -0.162 4.195 4.350 0.011 0.000 0.199 334 E C 1.926 178.724 176.600 0.329 0.000 1.005 334 E CA 0.952 57.542 56.400 0.315 0.000 0.810 334 E CB 0.088 29.937 29.700 0.249 0.000 0.736 334 E HN 0.454 nan 8.360 nan 0.000 0.460 335 G N 0.924 109.875 108.800 0.253 0.000 2.459 335 G HA2 -0.172 3.795 3.960 0.011 0.000 0.213 335 G HA3 -0.172 3.795 3.960 0.011 0.000 0.213 335 G C 1.747 176.818 174.900 0.285 0.000 1.155 335 G CA 0.918 46.181 45.100 0.271 0.000 0.811 335 G HN 0.387 nan 8.290 nan 0.000 0.534 336 S N 1.930 117.755 115.700 0.208 0.000 2.369 336 S HA -0.148 4.328 4.470 0.011 0.000 0.225 336 S C 2.568 177.208 174.600 0.068 0.000 1.043 336 S CA 1.829 60.147 58.200 0.197 0.000 1.074 336 S CB -0.906 62.377 63.200 0.139 0.000 0.962 336 S HN 0.653 nan 8.310 nan 0.000 0.433 337 A N 0.159 122.886 122.820 -0.155 0.000 2.178 337 A HA 0.222 4.549 4.320 0.011 0.000 0.218 337 A C 1.748 179.178 177.584 -0.256 0.000 1.157 337 A CA 0.840 52.620 52.037 -0.428 0.000 0.689 337 A CB -0.983 17.531 19.000 -0.810 0.000 0.787 337 A HN 0.572 nan 8.150 nan 0.000 0.465 338 F N -0.344 119.589 119.950 -0.030 0.000 2.512 338 F HA 0.071 4.604 4.527 0.010 0.000 0.296 338 F C 1.844 177.708 175.800 0.107 0.000 1.110 338 F CA 0.556 58.573 58.000 0.028 0.000 1.446 338 F CB -0.139 38.824 39.000 -0.062 0.000 1.092 338 F HN 0.122 nan 8.300 nan 0.000 0.554 339 L N -0.141 121.194 121.223 0.186 0.000 2.191 339 L HA -0.142 4.205 4.340 0.011 0.000 0.212 339 L C 2.219 179.162 176.870 0.123 0.000 1.103 339 L CA 0.915 55.737 54.840 -0.029 0.000 0.769 339 L CB -0.864 40.944 42.059 -0.419 0.000 0.908 339 L HN 0.140 nan 8.230 nan 0.000 0.438 340 V N -5.176 114.882 119.914 0.241 0.000 3.573 340 V HA -0.108 4.019 4.120 0.011 0.000 0.270 340 V C 0.884 176.956 176.094 -0.036 0.000 1.221 340 V CA 0.514 62.933 62.300 0.198 0.000 1.163 340 V CB -1.173 30.809 31.823 0.264 0.000 0.847 340 V HN 0.285 nan 8.190 nan 0.000 0.468 341 Y N 1.583 121.987 120.300 0.173 0.000 2.801 341 Y HA 0.719 5.276 4.550 0.010 0.000 0.318 341 Y C 1.504 177.503 175.900 0.165 0.000 1.073 341 Y CA 0.238 58.431 58.100 0.156 0.000 1.360 341 Y CB 0.761 39.309 38.460 0.147 0.000 1.220 341 Y HN 0.352 nan 8.280 nan 0.000 0.536 342 G N -1.433 107.497 108.800 0.217 0.000 3.611 342 G HA2 -0.143 3.823 3.960 0.011 0.000 0.217 342 G HA3 -0.143 3.823 3.960 0.011 0.000 0.217 342 G C -0.575 174.409 174.900 0.140 0.000 1.023 342 G CA -0.485 44.722 45.100 0.180 0.000 0.887 342 G HN -0.054 nan 8.290 nan 0.000 0.420 343 V N 3.759 123.752 119.914 0.132 0.000 2.415 343 V HA 0.378 4.505 4.120 0.011 0.000 0.267 343 V C -1.913 174.352 176.094 0.285 0.000 1.042 343 V CA -1.184 61.208 62.300 0.152 0.000 1.000 343 V CB 0.792 32.624 31.823 0.015 0.000 1.015 343 V HN 0.180 nan 8.190 nan 0.000 0.478 344 P HA 0.277 nan 4.420 nan 0.000 0.263 344 P C 1.006 178.434 177.300 0.213 0.000 1.195 344 P CA 1.163 64.371 63.100 0.180 0.000 0.762 344 P CB 0.690 32.459 31.700 0.115 0.000 0.799 345 G N 1.690 110.567 108.800 0.128 0.000 2.316 345 G HA2 -0.188 3.779 3.960 0.011 0.000 0.203 345 G HA3 -0.188 3.779 3.960 0.011 0.000 0.203 345 G C -0.261 174.516 174.900 -0.206 0.000 0.999 345 G CA -0.620 44.441 45.100 -0.065 0.000 0.649 345 G HN 0.387 nan 8.290 nan 0.000 0.489 346 F N 1.840 121.814 119.950 0.040 0.000 2.420 346 F HA 0.800 5.333 4.527 0.010 0.000 0.342 346 F C 0.610 176.511 175.800 0.169 0.000 1.113 346 F CA -0.135 57.914 58.000 0.080 0.000 1.059 346 F CB 2.196 41.280 39.000 0.140 0.000 1.128 346 F HN 0.135 nan 8.300 nan 0.000 0.475 347 S N 1.746 117.681 115.700 0.391 0.000 2.537 347 S HA 0.278 4.754 4.470 0.011 0.000 0.270 347 S C 0.295 175.185 174.600 0.483 0.000 1.142 347 S CA -0.895 57.533 58.200 0.380 0.000 0.870 347 S CB 1.343 64.675 63.200 0.220 0.000 1.112 347 S HN 0.767 nan 8.310 nan 0.000 0.466 348 K N 1.302 121.893 120.400 0.320 0.000 2.432 348 K HA 0.110 4.436 4.320 0.011 0.000 0.196 348 K C -0.002 176.615 176.600 0.029 0.000 1.038 348 K CA 1.099 57.460 56.287 0.123 0.000 0.986 348 K CB -0.039 32.286 32.500 -0.291 0.000 0.782 348 K HN 0.432 nan 8.250 nan 0.000 0.485 349 D N 0.796 121.223 120.400 0.045 0.000 2.389 349 D HA 0.015 4.661 4.640 0.011 0.000 0.206 349 D C -0.230 176.109 176.300 0.064 0.000 1.055 349 D CA 0.252 54.249 54.000 -0.005 0.000 0.856 349 D CB 0.191 40.969 40.800 -0.037 0.000 0.957 349 D HN 0.487 nan 8.370 nan 0.000 0.509 350 N N -0.780 117.998 118.700 0.130 0.000 2.701 350 N HA 0.129 4.875 4.740 0.011 0.000 0.290 350 N C 0.341 175.940 175.510 0.149 0.000 1.338 350 N CA -0.540 52.567 53.050 0.094 0.000 0.799 350 N CB 0.991 39.489 38.487 0.018 0.000 1.491 350 N HN -0.416 nan 8.380 nan 0.000 0.540 351 E N -0.444 119.765 120.200 0.014 0.000 2.512 351 E HA 0.024 4.380 4.350 0.011 0.000 0.195 351 E C -0.389 175.883 176.600 -0.545 0.000 1.083 351 E CA 0.059 56.395 56.400 -0.107 0.000 0.873 351 E CB -0.566 29.107 29.700 -0.044 0.000 0.897 351 E HN 0.610 nan 8.360 nan 0.000 0.514 352 S N 0.226 115.627 115.700 -0.498 0.000 3.581 352 S HA -0.196 4.281 4.470 0.011 0.000 0.354 352 S C 0.384 174.518 174.600 -0.777 0.000 1.059 352 S CA 0.209 57.951 58.200 -0.763 0.000 1.060 352 S CB -1.611 60.874 63.200 -1.191 0.000 0.908 352 S HN 0.328 nan 8.310 nan 0.000 0.475 353 L N 1.711 122.644 121.223 -0.483 0.000 2.433 353 L HA 0.349 4.695 4.340 0.011 0.000 0.275 353 L C 0.708 177.371 176.870 -0.346 0.000 1.128 353 L CA 0.062 54.683 54.840 -0.366 0.000 0.875 353 L CB -0.025 41.896 42.059 -0.230 0.000 1.171 353 L HN 0.407 nan 8.230 nan 0.000 0.463 354 I N 0.312 120.676 120.570 -0.343 0.000 2.863 354 I HA 0.646 4.823 4.170 0.011 0.000 0.311 354 I C 0.507 176.550 176.117 -0.124 0.000 1.026 354 I CA -0.632 60.517 61.300 -0.252 0.000 1.077 354 I CB 1.916 39.755 38.000 -0.269 0.000 1.262 354 I HN 0.530 nan 8.210 nan 0.000 0.461 355 S N 2.304 117.968 115.700 -0.059 0.000 2.693 355 S HA 0.418 4.894 4.470 0.011 0.000 0.276 355 S C 0.891 175.517 174.600 0.045 0.000 1.192 355 S CA -0.602 57.589 58.200 -0.015 0.000 0.994 355 S CB 1.631 64.828 63.200 -0.005 0.000 1.012 355 S HN 0.858 nan 8.310 nan 0.000 0.550 356 R N 0.221 120.752 120.500 0.052 0.000 2.081 356 R HA -0.062 4.284 4.340 0.011 0.000 0.235 356 R C 2.380 178.768 176.300 0.148 0.000 1.131 356 R CA 1.416 57.586 56.100 0.116 0.000 0.960 356 R CB -1.101 29.242 30.300 0.072 0.000 0.856 356 R HN 0.838 nan 8.270 nan 0.000 0.436 357 A N 0.838 123.711 122.820 0.087 0.000 1.892 357 A HA -0.262 4.065 4.320 0.011 0.000 0.218 357 A C 2.054 179.691 177.584 0.088 0.000 1.188 357 A CA 1.719 53.798 52.037 0.071 0.000 0.631 357 A CB -0.626 18.401 19.000 0.045 0.000 0.822 357 A HN 0.511 nan 8.150 nan 0.000 0.447 358 Q N -1.926 117.934 119.800 0.100 0.000 2.170 358 Q HA -0.148 4.198 4.340 0.011 0.000 0.203 358 Q C 1.919 178.045 176.000 0.210 0.000 0.976 358 Q CA 1.528 57.406 55.803 0.124 0.000 0.858 358 Q CB -0.286 28.503 28.738 0.085 0.000 0.907 358 Q HN 0.812 nan 8.270 nan 0.000 0.433 359 F N 1.134 121.121 119.950 0.061 0.000 2.075 359 F HA -0.229 4.304 4.527 0.010 0.000 0.297 359 F C 1.845 177.678 175.800 0.056 0.000 1.113 359 F CA 1.039 59.081 58.000 0.070 0.000 1.218 359 F CB 0.013 39.038 39.000 0.042 0.000 0.984 359 F HN -0.039 nan 8.300 nan 0.000 0.472 360 L N 0.436 121.590 121.223 -0.115 0.000 2.043 360 L HA -0.276 4.070 4.340 0.011 0.000 0.212 360 L C 2.833 179.624 176.870 -0.130 0.000 1.075 360 L CA 1.266 55.990 54.840 -0.193 0.000 0.752 360 L CB -1.399 40.629 42.059 -0.050 0.000 0.891 360 L HN 0.282 nan 8.230 nan 0.000 0.432 361 A N 0.390 123.188 122.820 -0.036 0.000 1.902 361 A HA -0.097 4.230 4.320 0.011 0.000 0.217 361 A C 2.437 180.014 177.584 -0.011 0.000 1.181 361 A CA 1.721 53.754 52.037 -0.007 0.000 0.623 361 A CB -1.198 17.823 19.000 0.035 0.000 0.818 361 A HN 0.447 nan 8.150 nan 0.000 0.443 362 G N -0.625 108.179 108.800 0.006 0.000 2.402 362 G HA2 -0.075 3.891 3.960 0.011 0.000 0.216 362 G HA3 -0.075 3.891 3.960 0.011 0.000 0.216 362 G C 1.488 176.342 174.900 -0.077 0.000 1.162 362 G CA 1.093 46.200 45.100 0.011 0.000 0.777 362 G HN 0.295 nan 8.290 nan 0.000 0.539 363 V N 1.081 120.876 119.914 -0.199 0.000 2.380 363 V HA -0.178 3.949 4.120 0.011 0.000 0.251 363 V C 2.965 178.989 176.094 -0.117 0.000 1.063 363 V CA 1.731 63.899 62.300 -0.219 0.000 1.055 363 V CB -0.391 31.196 31.823 -0.392 0.000 0.657 363 V HN 0.251 nan 8.190 nan 0.000 0.455 364 R N -0.594 119.849 120.500 -0.095 0.000 2.148 364 R HA 0.057 4.404 4.340 0.011 0.000 0.227 364 R C 2.002 178.273 176.300 -0.049 0.000 1.103 364 R CA 1.238 57.302 56.100 -0.061 0.000 0.983 364 R CB -0.499 29.772 30.300 -0.047 0.000 0.874 364 R HN 0.485 nan 8.270 nan 0.000 0.451 365 I N -0.821 119.724 120.570 -0.042 0.000 2.731 365 I HA -0.008 4.168 4.170 0.011 0.000 0.260 365 I C 2.278 178.374 176.117 -0.036 0.000 1.138 365 I CA 0.912 62.193 61.300 -0.032 0.000 1.461 365 I CB -0.283 37.712 38.000 -0.007 0.000 1.128 365 I HN 0.138 nan 8.210 nan 0.000 0.438 366 G N 0.391 109.165 108.800 -0.043 0.000 2.448 366 G HA2 -0.060 3.906 3.960 0.011 0.000 0.218 366 G HA3 -0.060 3.906 3.960 0.011 0.000 0.218 366 G C 0.853 175.719 174.900 -0.057 0.000 1.135 366 G CA 0.498 45.572 45.100 -0.043 0.000 0.784 366 G HN 0.233 nan 8.290 nan 0.000 0.543 367 V N 2.024 121.891 119.914 -0.078 0.000 2.361 367 V HA 0.211 4.337 4.120 0.011 0.000 0.252 367 V C -1.455 174.607 176.094 -0.054 0.000 0.986 367 V CA -1.069 61.162 62.300 -0.115 0.000 1.033 367 V CB 1.473 33.217 31.823 -0.133 0.000 1.282 367 V HN 0.065 nan 8.190 nan 0.000 0.514 368 P HA -0.170 nan 4.420 nan 0.000 0.219 368 P C 1.110 178.388 177.300 -0.036 0.000 1.146 368 P CA 1.189 64.263 63.100 -0.043 0.000 0.808 368 P CB 0.399 32.064 31.700 -0.059 0.000 0.779 369 Q N 0.275 120.063 119.800 -0.019 0.000 2.364 369 Q HA 0.112 4.458 4.340 0.011 0.000 0.207 369 Q C 1.202 177.187 176.000 -0.024 0.000 0.970 369 Q CA 0.663 56.456 55.803 -0.018 0.000 0.888 369 Q CB -0.965 27.776 28.738 0.004 0.000 0.951 369 Q HN 0.174 nan 8.270 nan 0.000 0.469 370 A N 1.568 124.372 122.820 -0.026 0.000 2.409 370 A HA 0.439 4.765 4.320 0.011 0.000 0.267 370 A C 0.378 177.944 177.584 -0.029 0.000 1.127 370 A CA -0.455 51.565 52.037 -0.029 0.000 0.795 370 A CB 0.140 19.125 19.000 -0.025 0.000 1.061 370 A HN 0.348 nan 8.150 nan 0.000 0.502 371 S N 2.330 118.012 115.700 -0.031 0.000 2.580 371 S HA 0.003 4.479 4.470 0.011 0.000 0.261 371 S C 0.517 175.109 174.600 -0.015 0.000 1.366 371 S CA 0.550 58.735 58.200 -0.025 0.000 0.996 371 S CB 0.202 63.385 63.200 -0.028 0.000 0.902 371 S HN 0.650 nan 8.310 nan 0.000 0.566 372 D N 0.277 120.671 120.400 -0.009 0.000 2.133 372 D HA -0.128 4.519 4.640 0.011 0.000 0.192 372 D C 1.716 178.025 176.300 0.014 0.000 1.001 372 D CA 1.425 55.426 54.000 0.001 0.000 0.844 372 D CB -0.360 40.442 40.800 0.004 0.000 0.944 372 D HN 0.435 nan 8.370 nan 0.000 0.447 373 L N 0.450 121.682 121.223 0.015 0.000 2.017 373 L HA -0.096 4.251 4.340 0.011 0.000 0.208 373 L C 2.056 178.957 176.870 0.052 0.000 1.073 373 L CA 1.957 56.818 54.840 0.035 0.000 0.745 373 L CB -0.884 41.189 42.059 0.023 0.000 0.894 373 L HN 0.038 nan 8.230 nan 0.000 0.432 374 A N -0.672 122.159 122.820 0.019 0.000 1.902 374 A HA -0.091 4.236 4.320 0.011 0.000 0.217 374 A C 2.454 180.069 177.584 0.051 0.000 1.181 374 A CA 1.781 53.830 52.037 0.020 0.000 0.623 374 A CB -1.186 17.790 19.000 -0.040 0.000 0.818 374 A HN 0.571 nan 8.150 nan 0.000 0.443 375 A N -0.462 122.371 122.820 0.022 0.000 1.883 375 A HA -0.203 4.123 4.320 0.011 0.000 0.217 375 A C 2.007 179.609 177.584 0.031 0.000 1.186 375 A CA 1.825 53.866 52.037 0.007 0.000 0.624 375 A CB -0.483 18.505 19.000 -0.021 0.000 0.822 375 A HN 0.473 nan 8.150 nan 0.000 0.444 376 E N -0.267 119.967 120.200 0.057 0.000 2.077 376 E HA -0.147 4.210 4.350 0.011 0.000 0.193 376 E C 2.412 179.097 176.600 0.141 0.000 0.989 376 E CA 1.222 57.676 56.400 0.090 0.000 0.800 376 E CB -0.542 29.212 29.700 0.091 0.000 0.746 376 E HN 0.559 nan 8.360 nan 0.000 0.452 377 A N 0.917 123.843 122.820 0.176 0.000 1.908 377 A HA -0.167 4.160 4.320 0.011 0.000 0.218 377 A C 2.607 180.327 177.584 0.226 0.000 1.181 377 A CA 1.631 53.828 52.037 0.268 0.000 0.627 377 A CB -0.701 18.556 19.000 0.428 0.000 0.818 377 A HN 0.144 nan 8.150 nan 0.000 0.445 378 V N -0.582 119.460 119.914 0.214 0.000 2.295 378 V HA -0.231 3.896 4.120 0.011 0.000 0.246 378 V C 2.556 178.794 176.094 0.239 0.000 1.049 378 V CA 2.014 64.408 62.300 0.156 0.000 1.024 378 V CB -0.837 31.063 31.823 0.129 0.000 0.648 378 V HN 0.370 nan 8.190 nan 0.000 0.447 379 V N -0.310 119.697 119.914 0.155 0.000 2.343 379 V HA -0.230 3.896 4.120 0.011 0.000 0.247 379 V C 2.301 178.594 176.094 0.331 0.000 1.051 379 V CA 1.847 64.275 62.300 0.214 0.000 1.036 379 V CB -0.465 31.395 31.823 0.061 0.000 0.654 379 V HN 0.435 nan 8.190 nan 0.000 0.451 380 L N -0.597 120.801 121.223 0.292 0.000 2.093 380 L HA -0.205 4.142 4.340 0.011 0.000 0.208 380 L C 2.542 179.623 176.870 0.352 0.000 1.085 380 L CA 2.066 57.155 54.840 0.415 0.000 0.755 380 L CB -0.754 41.494 42.059 0.316 0.000 0.904 380 L HN 0.478 nan 8.230 nan 0.000 0.435 381 H N -1.052 118.029 119.070 0.020 0.000 2.423 381 H HA -0.183 4.379 4.556 0.009 0.000 0.297 381 H C 1.701 176.938 175.328 -0.152 0.000 1.075 381 H CA 1.737 57.645 56.048 -0.233 0.000 1.342 381 H CB 0.123 29.370 29.762 -0.858 0.000 1.395 381 H HN 0.258 nan 8.280 nan 0.000 0.530 382 Y N -0.214 120.177 120.300 0.151 0.000 2.478 382 Y HA 0.149 4.707 4.550 0.012 0.000 0.261 382 Y C 0.759 176.720 175.900 0.102 0.000 1.127 382 Y CA 0.186 58.399 58.100 0.187 0.000 1.288 382 Y CB 0.384 39.067 38.460 0.371 0.000 1.084 382 Y HN 0.022 nan 8.280 nan 0.000 0.530 383 T N 1.503 116.118 114.554 0.102 0.000 2.928 383 T HA -0.044 4.313 4.350 0.011 0.000 0.305 383 T C -0.307 174.117 174.700 -0.460 0.000 1.035 383 T CA -0.115 61.787 62.100 -0.329 0.000 1.145 383 T CB 0.249 68.546 68.868 -0.952 0.000 0.963 383 T HN 0.110 nan 8.240 nan 0.000 0.545 384 D N 1.893 122.017 120.400 -0.461 0.000 2.347 384 D HA 0.134 4.781 4.640 0.011 0.000 0.235 384 D C -0.008 176.032 176.300 -0.435 0.000 1.149 384 D CA -0.730 52.997 54.000 -0.455 0.000 0.850 384 D CB 0.389 40.735 40.800 -0.756 0.000 1.061 384 D HN 0.581 nan 8.370 nan 0.000 0.487 385 W N 3.020 124.243 121.300 -0.128 0.000 2.800 385 W HA 0.135 4.801 4.660 0.009 0.000 0.249 385 W C 1.784 178.209 176.519 -0.157 0.000 1.294 385 W CA -0.200 57.080 57.345 -0.108 0.000 1.402 385 W CB -0.040 29.367 29.460 -0.089 0.000 1.126 385 W HN 0.435 nan 8.180 nan 0.000 0.652 386 L N -1.128 120.028 121.223 -0.113 0.000 2.179 386 L HA -0.053 4.293 4.340 0.011 0.000 0.208 386 L C 0.166 176.655 176.870 -0.634 0.000 1.096 386 L CA 1.084 55.699 54.840 -0.375 0.000 0.779 386 L CB -0.228 41.530 42.059 -0.501 0.000 0.922 386 L HN 0.017 nan 8.230 nan 0.000 0.443 387 H N -1.762 117.244 119.070 -0.107 0.000 2.511 387 H HA 0.157 4.719 4.556 0.010 0.000 0.228 387 H C -1.954 173.277 175.328 -0.161 0.000 1.424 387 H CA -1.266 54.716 56.048 -0.111 0.000 1.321 387 H CB 0.150 29.848 29.762 -0.105 0.000 1.720 387 H HN -0.051 nan 8.280 nan 0.000 0.512 388 P HA -0.081 nan 4.420 nan 0.000 0.244 388 P C 0.358 177.583 177.300 -0.125 0.000 1.211 388 P CA 0.905 63.867 63.100 -0.230 0.000 0.760 388 P CB 0.630 32.162 31.700 -0.281 0.000 0.961 389 E N -1.272 118.897 120.200 -0.051 0.000 2.606 389 E HA 0.043 4.400 4.350 0.011 0.000 0.224 389 E C 0.119 176.702 176.600 -0.027 0.000 0.930 389 E CA -0.136 56.245 56.400 -0.031 0.000 1.125 389 E CB 0.181 29.875 29.700 -0.011 0.000 1.123 389 E HN 0.194 nan 8.360 nan 0.000 0.522 390 D N 2.819 123.211 120.400 -0.013 0.000 2.389 390 D HA 0.009 4.655 4.640 0.011 0.000 0.263 390 D C -1.646 174.624 176.300 -0.050 0.000 1.255 390 D CA -1.697 52.289 54.000 -0.024 0.000 0.914 390 D CB 1.593 42.384 40.800 -0.015 0.000 1.116 390 D HN -0.135 nan 8.370 nan 0.000 0.502 391 P HA -0.131 nan 4.420 nan 0.000 0.216 391 P C 1.305 178.519 177.300 -0.143 0.000 1.153 391 P CA 1.319 64.349 63.100 -0.118 0.000 0.858 391 P CB 0.201 31.828 31.700 -0.121 0.000 0.789 392 T N -1.926 112.563 114.554 -0.109 0.000 2.708 392 T HA -0.203 4.154 4.350 0.011 0.000 0.266 392 T C 1.746 176.394 174.700 -0.086 0.000 1.037 392 T CA 1.746 63.786 62.100 -0.101 0.000 1.146 392 T CB -1.086 67.745 68.868 -0.061 0.000 0.865 392 T HN 0.261 nan 8.240 nan 0.000 0.435 393 H N 0.850 119.850 119.070 -0.116 0.000 2.353 393 H HA 0.072 4.634 4.556 0.010 0.000 0.300 393 H C 2.019 177.239 175.328 -0.181 0.000 1.090 393 H CA 1.278 57.258 56.048 -0.114 0.000 1.327 393 H CB -0.481 29.218 29.762 -0.105 0.000 1.383 393 H HN 0.231 nan 8.280 nan 0.000 0.508 394 L N 0.017 121.071 121.223 -0.283 0.000 2.046 394 L HA -0.179 4.167 4.340 0.011 0.000 0.208 394 L C 2.879 179.538 176.870 -0.352 0.000 1.077 394 L CA 1.498 56.057 54.840 -0.467 0.000 0.747 394 L CB -0.478 41.391 42.059 -0.317 0.000 0.896 394 L HN 0.286 nan 8.230 nan 0.000 0.432 395 R N 0.410 120.785 120.500 -0.209 0.000 2.091 395 R HA -0.204 4.143 4.340 0.011 0.000 0.238 395 R C 1.578 177.880 176.300 0.004 0.000 1.136 395 R CA 2.146 58.201 56.100 -0.076 0.000 0.959 395 R CB -0.379 29.761 30.300 -0.267 0.000 0.856 395 R HN 0.375 nan 8.270 nan 0.000 0.437 396 D N 0.015 120.336 120.400 -0.132 0.000 2.234 396 D HA -0.020 4.626 4.640 0.011 0.000 0.205 396 D C 1.692 177.923 176.300 -0.116 0.000 0.962 396 D CA 1.162 55.118 54.000 -0.073 0.000 0.855 396 D CB -0.103 40.641 40.800 -0.093 0.000 0.951 396 D HN 0.341 nan 8.370 nan 0.000 0.500 397 A N 0.821 123.444 122.820 -0.328 0.000 1.873 397 A HA -0.159 4.167 4.320 0.011 0.000 0.215 397 A C 2.140 179.708 177.584 -0.027 0.000 1.186 397 A CA 1.483 53.381 52.037 -0.231 0.000 0.616 397 A CB -0.476 18.189 19.000 -0.557 0.000 0.823 397 A HN 0.150 nan 8.150 nan 0.000 0.442 398 M N 0.118 119.764 119.600 0.076 0.000 2.159 398 M HA -0.092 4.395 4.480 0.011 0.000 0.263 398 M C 2.277 178.616 176.300 0.066 0.000 1.063 398 M CA 2.130 57.581 55.300 0.250 0.000 1.110 398 M CB -0.571 32.237 32.600 0.347 0.000 1.374 398 M HN 0.429 nan 8.290 nan 0.000 0.411 399 S N -0.277 115.472 115.700 0.081 0.000 2.355 399 S HA -0.070 4.407 4.470 0.011 0.000 0.222 399 S C 2.077 176.735 174.600 0.097 0.000 1.031 399 S CA 1.473 59.741 58.200 0.114 0.000 0.993 399 S CB -0.609 62.722 63.200 0.218 0.000 0.859 399 S HN 0.617 nan 8.310 nan 0.000 0.453 400 A N 0.820 123.696 122.820 0.094 0.000 1.933 400 A HA 0.022 4.349 4.320 0.011 0.000 0.218 400 A C 2.359 179.973 177.584 0.050 0.000 1.175 400 A CA 1.732 53.856 52.037 0.146 0.000 0.628 400 A CB -1.021 18.155 19.000 0.292 0.000 0.814 400 A HN 0.474 nan 8.150 nan 0.000 0.444 401 V N -0.445 119.371 119.914 -0.163 0.000 2.295 401 V HA -0.220 3.906 4.120 0.011 0.000 0.246 401 V C 2.576 178.599 176.094 -0.118 0.000 1.049 401 V CA 2.027 64.197 62.300 -0.218 0.000 1.024 401 V CB -0.675 31.023 31.823 -0.209 0.000 0.648 401 V HN 0.384 nan 8.190 nan 0.000 0.447 402 V N 0.753 120.622 119.914 -0.075 0.000 2.307 402 V HA -0.123 4.004 4.120 0.011 0.000 0.245 402 V C 2.652 178.655 176.094 -0.152 0.000 1.045 402 V CA 2.073 64.317 62.300 -0.094 0.000 1.024 402 V CB -1.443 30.374 31.823 -0.009 0.000 0.651 402 V HN 0.591 nan 8.190 nan 0.000 0.449 403 G N -0.000 108.777 108.800 -0.039 0.000 2.459 403 G HA2 -0.280 3.687 3.960 0.011 0.000 0.217 403 G HA3 -0.280 3.687 3.960 0.011 0.000 0.217 403 G C 1.224 176.062 174.900 -0.103 0.000 1.183 403 G CA 1.222 46.312 45.100 -0.017 0.000 0.776 403 G HN 0.505 nan 8.290 nan 0.000 0.552 404 D N -0.561 119.789 120.400 -0.083 0.000 2.144 404 D HA -0.060 4.587 4.640 0.011 0.000 0.200 404 D C 2.079 178.067 176.300 -0.520 0.000 0.978 404 D CA 1.173 55.086 54.000 -0.144 0.000 0.833 404 D CB -0.356 40.528 40.800 0.140 0.000 0.961 404 D HN 0.451 nan 8.370 nan 0.000 0.470 405 H N 0.570 119.099 119.070 -0.901 0.000 2.363 405 H HA 0.084 4.646 4.556 0.010 0.000 0.301 405 H C 1.420 176.363 175.328 -0.643 0.000 1.074 405 H CA 1.471 56.817 56.048 -1.169 0.000 1.354 405 H CB 0.158 29.183 29.762 -1.228 0.000 1.397 405 H HN -0.014 nan 8.280 nan 0.000 0.516 406 N N -0.763 117.529 118.700 -0.680 0.000 2.415 406 N HA 0.013 4.759 4.740 0.011 0.000 0.174 406 N C 1.167 176.463 175.510 -0.356 0.000 1.048 406 N CA 1.018 53.635 53.050 -0.722 0.000 0.895 406 N CB 1.203 38.730 38.487 -1.599 0.000 1.036 406 N HN 0.258 nan 8.380 nan 0.000 0.449 407 V N -0.313 119.437 119.914 -0.273 0.000 3.278 407 V HA 0.070 4.196 4.120 0.011 0.000 0.215 407 V C 2.198 178.253 176.094 -0.065 0.000 1.287 407 V CA 0.209 62.475 62.300 -0.056 0.000 1.302 407 V CB -0.099 31.771 31.823 0.080 0.000 1.228 407 V HN -0.171 nan 8.190 nan 0.000 0.523 408 V N 0.070 119.945 119.914 -0.065 0.000 2.287 408 V HA -0.295 3.831 4.120 0.011 0.000 0.248 408 V C 2.501 178.556 176.094 -0.066 0.000 1.053 408 V CA 2.653 64.928 62.300 -0.042 0.000 1.027 408 V CB -0.673 31.154 31.823 0.008 0.000 0.646 408 V HN 0.670 nan 8.190 nan 0.000 0.447 409 c N -0.646 117.904 118.600 -0.084 0.000 2.475 409 c HA 0.029 4.605 4.570 0.011 0.000 0.279 409 c C 0.491 174.539 174.090 -0.070 0.000 1.322 409 c CA 0.685 56.990 56.329 -0.039 0.000 1.734 409 c CB -1.666 40.855 42.510 0.018 0.000 2.005 409 c HN 0.466 nan 8.230 nan 0.000 0.495 410 P HA -0.073 nan 4.420 nan 0.000 0.215 410 P C 1.820 179.049 177.300 -0.119 0.000 1.157 410 P CA 1.378 64.395 63.100 -0.139 0.000 0.863 410 P CB -0.189 31.394 31.700 -0.195 0.000 0.787 411 V N 0.341 120.187 119.914 -0.112 0.000 2.324 411 V HA -0.309 3.817 4.120 0.011 0.000 0.250 411 V C 2.478 178.471 176.094 -0.169 0.000 1.060 411 V CA 2.341 64.562 62.300 -0.133 0.000 1.042 411 V CB -1.779 29.966 31.823 -0.130 0.000 0.650 411 V HN 0.107 nan 8.190 nan 0.000 0.450 412 A N 0.528 123.264 122.820 -0.140 0.000 1.917 412 A HA -0.333 3.993 4.320 0.011 0.000 0.219 412 A C 2.249 179.782 177.584 -0.084 0.000 1.182 412 A CA 2.372 54.332 52.037 -0.127 0.000 0.633 412 A CB -0.510 18.464 19.000 -0.043 0.000 0.819 412 A HN 0.798 nan 8.150 nan 0.000 0.448 413 Q N -1.273 118.494 119.800 -0.055 0.000 2.163 413 Q HA 0.008 4.354 4.340 0.011 0.000 0.198 413 Q C 1.930 177.894 176.000 -0.061 0.000 0.954 413 Q CA 1.102 56.887 55.803 -0.030 0.000 0.851 413 Q CB -0.598 28.136 28.738 -0.007 0.000 0.928 413 Q HN 0.363 nan 8.270 nan 0.000 0.459 414 L N 1.870 123.032 121.223 -0.102 0.000 2.010 414 L HA -0.276 4.071 4.340 0.011 0.000 0.219 414 L C 2.510 179.299 176.870 -0.134 0.000 1.077 414 L CA 2.545 57.307 54.840 -0.129 0.000 0.773 414 L CB -1.048 40.924 42.059 -0.146 0.000 0.892 414 L HN 0.377 nan 8.230 nan 0.000 0.436 415 A N -1.014 121.697 122.820 -0.182 0.000 1.902 415 A HA -0.072 4.255 4.320 0.011 0.000 0.217 415 A C 2.345 179.950 177.584 0.035 0.000 1.181 415 A CA 1.694 53.597 52.037 -0.225 0.000 0.623 415 A CB -1.594 17.009 19.000 -0.661 0.000 0.818 415 A HN 0.567 nan 8.150 nan 0.000 0.443 416 G N -0.259 108.599 108.800 0.096 0.000 2.545 416 G HA2 -0.278 3.688 3.960 0.011 0.000 0.217 416 G HA3 -0.278 3.688 3.960 0.011 0.000 0.217 416 G C 1.674 176.645 174.900 0.118 0.000 1.218 416 G CA 1.001 46.222 45.100 0.202 0.000 0.787 416 G HN 0.417 nan 8.290 nan 0.000 0.571 417 R N 0.260 120.794 120.500 0.055 0.000 2.081 417 R HA 0.083 4.430 4.340 0.011 0.000 0.235 417 R C 2.727 179.064 176.300 0.062 0.000 1.131 417 R CA 0.615 56.750 56.100 0.058 0.000 0.960 417 R CB -1.205 29.123 30.300 0.046 0.000 0.856 417 R HN 0.424 nan 8.270 nan 0.000 0.436 418 L N 0.232 121.436 121.223 -0.030 0.000 2.017 418 L HA -0.140 4.206 4.340 0.011 0.000 0.208 418 L C 2.576 179.475 176.870 0.049 0.000 1.073 418 L CA 1.557 56.344 54.840 -0.088 0.000 0.745 418 L CB -0.711 41.213 42.059 -0.225 0.000 0.894 418 L HN 0.161 nan 8.230 nan 0.000 0.432 419 A N -0.173 122.694 122.820 0.078 0.000 1.969 419 A HA -0.051 4.275 4.320 0.011 0.000 0.218 419 A C 2.379 180.007 177.584 0.072 0.000 1.169 419 A CA 1.459 53.550 52.037 0.089 0.000 0.635 419 A CB -0.508 18.583 19.000 0.152 0.000 0.810 419 A HN 0.404 nan 8.150 nan 0.000 0.445 420 A N -1.506 121.365 122.820 0.084 0.000 2.167 420 A HA 0.099 4.426 4.320 0.011 0.000 0.214 420 A C 1.516 179.151 177.584 0.086 0.000 1.151 420 A CA 1.015 53.094 52.037 0.070 0.000 0.735 420 A CB -0.130 18.911 19.000 0.069 0.000 0.802 420 A HN 0.557 nan 8.150 nan 0.000 0.467 421 Q N -1.847 118.032 119.800 0.132 0.000 2.129 421 Q HA 0.395 4.742 4.340 0.011 0.000 0.274 421 Q C 0.763 176.866 176.000 0.172 0.000 0.854 421 Q CA 0.398 56.298 55.803 0.162 0.000 1.123 421 Q CB 0.882 29.771 28.738 0.251 0.000 1.226 421 Q HN 0.681 nan 8.270 nan 0.000 0.454 422 G N 0.018 108.890 108.800 0.121 0.000 2.307 422 G HA2 -0.238 3.729 3.960 0.011 0.000 0.210 422 G HA3 -0.238 3.729 3.960 0.011 0.000 0.210 422 G C 0.353 175.309 174.900 0.093 0.000 1.005 422 G CA -0.329 44.828 45.100 0.095 0.000 0.634 422 G HN 0.518 nan 8.290 nan 0.000 0.496 423 A N 0.523 123.415 122.820 0.121 0.000 2.462 423 A HA 0.645 4.971 4.320 0.011 0.000 0.243 423 A C 0.677 178.277 177.584 0.026 0.000 1.076 423 A CA 0.784 52.868 52.037 0.079 0.000 0.773 423 A CB 0.189 19.218 19.000 0.047 0.000 1.010 423 A HN 0.878 nan 8.150 nan 0.000 0.493 424 R N 2.305 122.814 120.500 0.014 0.000 2.242 424 R HA 0.419 4.766 4.340 0.011 0.000 0.334 424 R C -1.254 175.005 176.300 -0.068 0.000 1.071 424 R CA -0.030 56.041 56.100 -0.048 0.000 0.922 424 R CB 0.039 30.336 30.300 -0.005 0.000 1.023 424 R HN 0.447 nan 8.270 nan 0.000 0.458 425 V N 6.139 125.959 119.914 -0.155 0.000 2.459 425 V HA 0.355 4.482 4.120 0.011 0.000 0.295 425 V C -0.898 175.019 176.094 -0.295 0.000 1.029 425 V CA -0.734 61.495 62.300 -0.117 0.000 0.874 425 V CB 1.317 33.143 31.823 0.004 0.000 0.985 425 V HN 0.626 nan 8.190 nan 0.000 0.438 426 Y N 2.393 122.623 120.300 -0.117 0.000 2.352 426 Y HA 0.768 5.323 4.550 0.009 0.000 0.339 426 Y C 0.379 176.313 175.900 0.056 0.000 0.992 426 Y CA -0.504 57.493 58.100 -0.171 0.000 1.100 426 Y CB 2.065 40.033 38.460 -0.819 0.000 1.192 426 Y HN 0.746 nan 8.280 nan 0.000 0.458 427 A N 3.444 126.607 122.820 0.572 0.000 2.374 427 A HA 0.870 5.197 4.320 0.011 0.000 0.317 427 A C -1.743 176.246 177.584 0.675 0.000 1.094 427 A CA -0.661 51.611 52.037 0.391 0.000 0.765 427 A CB 0.973 20.030 19.000 0.095 0.000 1.268 427 A HN 0.759 nan 8.150 nan 0.000 0.438 428 Y N -0.637 119.905 120.300 0.404 0.000 2.655 428 Y HA 0.795 5.350 4.550 0.008 0.000 0.336 428 Y C -1.217 174.860 175.900 0.295 0.000 1.154 428 Y CA -1.610 56.685 58.100 0.325 0.000 1.055 428 Y CB 1.279 39.903 38.460 0.273 0.000 1.295 428 Y HN 0.716 nan 8.280 nan 0.000 0.465 429 I N 2.601 123.503 120.570 0.554 0.000 2.498 429 I HA 0.480 4.656 4.170 0.011 0.000 0.290 429 I C -1.892 174.568 176.117 0.572 0.000 1.032 429 I CA -1.048 60.534 61.300 0.471 0.000 1.073 429 I CB 1.297 39.511 38.000 0.357 0.000 1.251 429 I HN 0.737 nan 8.210 nan 0.000 0.426 430 F N 7.202 127.436 119.950 0.473 0.000 2.404 430 F HA 0.387 4.921 4.527 0.011 0.000 0.358 430 F C 0.669 176.625 175.800 0.260 0.000 1.120 430 F CA 0.095 58.312 58.000 0.362 0.000 1.144 430 F CB 0.900 40.124 39.000 0.374 0.000 1.133 430 F HN 0.560 nan 8.300 nan 0.000 0.495 431 E N 2.954 123.017 120.200 -0.229 0.000 2.538 431 E HA -0.019 4.337 4.350 0.011 0.000 0.207 431 E C -0.750 175.730 176.600 -0.201 0.000 1.002 431 E CA -0.140 56.197 56.400 -0.106 0.000 0.952 431 E CB 0.275 29.952 29.700 -0.039 0.000 1.031 431 E HN 0.517 nan 8.360 nan 0.000 0.476 432 H N 1.192 119.891 119.070 -0.618 0.000 2.517 432 H HA 0.239 4.801 4.556 0.010 0.000 0.317 432 H C -0.475 174.809 175.328 -0.073 0.000 1.080 432 H CA -0.532 55.248 56.048 -0.446 0.000 1.301 432 H CB 0.555 29.863 29.762 -0.757 0.000 1.425 432 H HN -0.158 nan 8.280 nan 0.000 0.471 433 R N 4.149 124.302 120.500 -0.579 0.000 2.216 433 R HA 0.452 4.798 4.340 0.011 0.000 0.332 433 R C -0.487 175.590 176.300 -0.371 0.000 1.056 433 R CA -0.568 55.363 56.100 -0.281 0.000 0.901 433 R CB 0.254 30.453 30.300 -0.168 0.000 1.039 433 R HN 0.829 nan 8.270 nan 0.000 0.456 434 A N 3.136 126.057 122.820 0.168 0.000 2.587 434 A HA -0.060 4.267 4.320 0.011 0.000 0.235 434 A C 1.369 179.057 177.584 0.173 0.000 1.044 434 A CA 0.761 53.080 52.037 0.469 0.000 0.754 434 A CB 0.231 19.570 19.000 0.564 0.000 0.968 434 A HN 1.012 nan 8.150 nan 0.000 0.509 435 S N 1.319 117.155 115.700 0.227 0.000 2.500 435 S HA -0.126 4.351 4.470 0.011 0.000 0.239 435 S C 1.204 175.795 174.600 -0.014 0.000 0.989 435 S CA 1.577 59.830 58.200 0.088 0.000 0.951 435 S CB -0.631 62.644 63.200 0.125 0.000 0.759 435 S HN 1.356 nan 8.310 nan 0.000 0.523 436 T N -1.255 113.263 114.554 -0.060 0.000 3.092 436 T HA 0.419 4.776 4.350 0.011 0.000 0.258 436 T C 0.214 174.838 174.700 -0.126 0.000 1.031 436 T CA -0.641 61.359 62.100 -0.168 0.000 0.925 436 T CB -0.304 68.330 68.868 -0.390 0.000 1.036 436 T HN 0.179 nan 8.240 nan 0.000 0.544 437 L N 4.026 125.210 121.223 -0.065 0.000 2.490 437 L HA 0.267 4.613 4.340 0.011 0.000 0.274 437 L C 1.623 178.421 176.870 -0.120 0.000 1.201 437 L CA 0.905 55.688 54.840 -0.095 0.000 0.869 437 L CB 0.924 42.929 42.059 -0.090 0.000 1.123 437 L HN 0.499 nan 8.230 nan 0.000 0.484 438 T N -1.197 113.238 114.554 -0.198 0.000 3.054 438 T HA 0.130 4.486 4.350 0.011 0.000 0.255 438 T C 0.303 174.960 174.700 -0.072 0.000 1.035 438 T CA -0.528 61.462 62.100 -0.184 0.000 0.941 438 T CB -0.275 68.412 68.868 -0.301 0.000 1.026 438 T HN 0.331 nan 8.240 nan 0.000 0.533 439 W N 3.340 124.618 121.300 -0.037 0.000 2.161 439 W HA 0.435 5.102 4.660 0.011 0.000 0.344 439 W C -2.018 174.393 176.519 -0.180 0.000 1.262 439 W CA -2.266 55.052 57.345 -0.044 0.000 1.270 439 W CB 0.258 29.613 29.460 -0.176 0.000 1.126 439 W HN -0.026 nan 8.180 nan 0.000 0.598 440 P HA 0.002 nan 4.420 nan 0.000 0.272 440 P C 0.544 177.738 177.300 -0.176 0.000 1.230 440 P CA 0.064 63.084 63.100 -0.134 0.000 0.788 440 P CB 0.846 32.414 31.700 -0.220 0.000 0.949 441 L N 0.657 121.854 121.223 -0.044 0.000 2.129 441 L HA -0.176 4.171 4.340 0.011 0.000 0.212 441 L C 2.571 179.472 176.870 0.052 0.000 1.087 441 L CA 1.682 56.526 54.840 0.008 0.000 0.757 441 L CB -0.961 41.132 42.059 0.058 0.000 0.896 441 L HN 0.613 nan 8.230 nan 0.000 0.434 442 W N -1.026 120.313 121.300 0.065 0.000 2.425 442 W HA -0.141 4.525 4.660 0.009 0.000 0.277 442 W C 1.880 178.448 176.519 0.083 0.000 1.231 442 W CA 0.533 57.919 57.345 0.068 0.000 1.248 442 W CB -0.886 28.615 29.460 0.067 0.000 1.117 442 W HN 0.164 nan 8.180 nan 0.000 0.568 443 M N 1.429 120.794 119.600 -0.393 0.000 2.549 443 M HA 0.053 4.540 4.480 0.011 0.000 0.260 443 M C 1.826 178.079 176.300 -0.077 0.000 1.076 443 M CA 1.841 56.913 55.300 -0.381 0.000 1.090 443 M CB -0.845 31.351 32.600 -0.673 0.000 1.418 443 M HN 0.265 nan 8.290 nan 0.000 0.486 444 G N 0.398 109.190 108.800 -0.014 0.000 2.565 444 G HA2 -0.289 3.677 3.960 0.011 0.000 0.295 444 G HA3 -0.289 3.677 3.960 0.011 0.000 0.295 444 G C -0.140 174.781 174.900 0.035 0.000 1.165 444 G CA -0.149 44.977 45.100 0.043 0.000 0.977 444 G HN 0.236 nan 8.290 nan 0.000 0.546 445 V N 3.614 123.589 119.914 0.101 0.000 2.259 445 V HA 0.479 4.605 4.120 0.011 0.000 0.267 445 V C -1.928 174.295 176.094 0.216 0.000 1.051 445 V CA -0.856 61.550 62.300 0.177 0.000 0.830 445 V CB 1.227 33.208 31.823 0.263 0.000 1.080 445 V HN 0.499 nan 8.190 nan 0.000 0.467 446 P HA 0.166 nan 4.420 nan 0.000 0.274 446 P C -0.147 177.370 177.300 0.362 0.000 1.237 446 P CA -0.449 62.752 63.100 0.168 0.000 0.793 446 P CB 0.344 31.998 31.700 -0.076 0.000 0.977 447 H N 1.182 120.357 119.070 0.174 0.000 3.214 447 H HA 0.156 4.718 4.556 0.010 0.000 0.291 447 H C 1.579 176.931 175.328 0.040 0.000 0.926 447 H CA 2.488 58.623 56.048 0.146 0.000 1.409 447 H CB -0.716 29.147 29.762 0.168 0.000 1.406 447 H HN 0.743 nan 8.280 nan 0.000 0.561 448 G N 3.426 112.104 108.800 -0.203 0.000 2.238 448 G HA2 -0.288 3.678 3.960 0.011 0.000 0.217 448 G HA3 -0.288 3.678 3.960 0.011 0.000 0.217 448 G C 0.559 175.366 174.900 -0.155 0.000 0.996 448 G CA 0.238 45.135 45.100 -0.338 0.000 0.632 448 G HN 0.615 nan 8.290 nan 0.000 0.503 449 Y N 1.836 122.260 120.300 0.206 0.000 2.470 449 Y HA 0.263 4.819 4.550 0.010 0.000 0.284 449 Y C 2.293 178.343 175.900 0.249 0.000 1.188 449 Y CA 0.835 59.114 58.100 0.299 0.000 1.269 449 Y CB 0.438 39.103 38.460 0.342 0.000 1.094 449 Y HN 0.484 nan 8.280 nan 0.000 0.518 450 E N 0.297 120.480 120.200 -0.029 0.000 2.340 450 E HA -0.065 4.292 4.350 0.011 0.000 0.194 450 E C 1.623 178.106 176.600 -0.194 0.000 0.996 450 E CA 0.681 56.707 56.400 -0.622 0.000 0.869 450 E CB -0.416 28.528 29.700 -1.260 0.000 0.835 450 E HN 0.538 nan 8.360 nan 0.000 0.493 451 I N 2.982 123.539 120.570 -0.021 0.000 2.151 451 I HA -0.304 3.872 4.170 0.011 0.000 0.243 451 I C 2.764 178.892 176.117 0.018 0.000 1.080 451 I CA 2.163 63.495 61.300 0.054 0.000 1.339 451 I CB -0.611 37.498 38.000 0.181 0.000 1.039 451 I HN 0.212 nan 8.210 nan 0.000 0.409 452 E N 1.309 121.466 120.200 -0.071 0.000 2.265 452 E HA -0.215 4.142 4.350 0.011 0.000 0.196 452 E C 1.987 178.351 176.600 -0.394 0.000 0.996 452 E CA 1.426 57.678 56.400 -0.247 0.000 0.832 452 E CB -0.451 29.071 29.700 -0.297 0.000 0.756 452 E HN 0.482 nan 8.360 nan 0.000 0.491 453 F N 1.164 121.003 119.950 -0.185 0.000 2.234 453 F HA 0.133 4.668 4.527 0.013 0.000 0.296 453 F C 2.343 177.910 175.800 -0.388 0.000 1.089 453 F CA 0.599 58.433 58.000 -0.276 0.000 1.343 453 F CB -0.139 38.770 39.000 -0.152 0.000 1.040 453 F HN -0.082 nan 8.300 nan 0.000 0.498 454 I N -1.355 119.051 120.570 -0.272 0.000 2.394 454 I HA -0.257 3.919 4.170 0.011 0.000 0.251 454 I C 1.732 177.602 176.117 -0.411 0.000 1.136 454 I CA 1.268 62.251 61.300 -0.529 0.000 1.425 454 I CB -0.375 37.141 38.000 -0.808 0.000 1.079 454 I HN 0.024 nan 8.210 nan 0.000 0.425 455 F N 0.512 120.283 119.950 -0.299 0.000 2.710 455 F HA 0.165 4.699 4.527 0.011 0.000 0.298 455 F C 1.894 177.589 175.800 -0.175 0.000 1.137 455 F CA 0.887 58.759 58.000 -0.213 0.000 1.444 455 F CB 0.169 39.025 39.000 -0.239 0.000 1.111 455 F HN 0.176 nan 8.300 nan 0.000 0.580 456 G N -0.353 108.324 108.800 -0.205 0.000 2.159 456 G HA2 -0.278 3.688 3.960 0.011 0.000 0.227 456 G HA3 -0.278 3.688 3.960 0.011 0.000 0.227 456 G C 1.008 175.327 174.900 -0.969 0.000 0.986 456 G CA 0.284 45.124 45.100 -0.434 0.000 0.651 456 G HN 0.257 nan 8.290 nan 0.000 0.523 457 L N 0.879 121.603 121.223 -0.832 0.000 2.043 457 L HA -0.006 4.340 4.340 0.011 0.000 0.212 457 L C 0.500 176.812 176.870 -0.930 0.000 1.075 457 L CA 2.977 57.279 54.840 -0.897 0.000 0.752 457 L CB -1.081 40.690 42.059 -0.481 0.000 0.891 457 L HN 0.209 nan 8.230 nan 0.000 0.432 458 P HA -0.188 nan 4.420 nan 0.000 0.219 458 P C 1.730 178.756 177.300 -0.457 0.000 1.144 458 P CA 1.286 63.749 63.100 -1.061 0.000 0.806 458 P CB -0.064 31.109 31.700 -0.877 0.000 0.771 459 L N -1.747 119.157 121.223 -0.532 0.000 2.465 459 L HA -0.012 4.335 4.340 0.011 0.000 0.224 459 L C 1.043 177.784 176.870 -0.215 0.000 1.145 459 L CA 0.409 55.053 54.840 -0.328 0.000 0.834 459 L CB -0.694 41.175 42.059 -0.316 0.000 0.944 459 L HN -0.055 nan 8.230 nan 0.000 0.451 460 D N 0.963 121.199 120.400 -0.273 0.000 2.344 460 D HA 0.076 4.723 4.640 0.011 0.000 0.253 460 D C -1.527 174.774 176.300 0.002 0.000 1.255 460 D CA -1.978 51.998 54.000 -0.041 0.000 0.894 460 D CB 1.480 42.297 40.800 0.027 0.000 1.067 460 D HN -0.060 nan 8.370 nan 0.000 0.492 461 P HA -0.152 nan 4.420 nan 0.000 0.218 461 P C 1.221 178.532 177.300 0.018 0.000 1.148 461 P CA 0.932 64.043 63.100 0.018 0.000 0.822 461 P CB 0.032 31.740 31.700 0.014 0.000 0.784 462 S N -1.365 114.344 115.700 0.015 0.000 2.595 462 S HA -0.010 4.466 4.470 0.011 0.000 0.235 462 S C 1.458 176.047 174.600 -0.018 0.000 0.974 462 S CA 0.507 58.705 58.200 -0.003 0.000 0.942 462 S CB -1.315 61.884 63.200 -0.002 0.000 0.766 462 S HN 0.116 nan 8.310 nan 0.000 0.536 463 L N 0.644 121.869 121.223 0.004 0.000 2.640 463 L HA 0.290 4.636 4.340 0.011 0.000 0.230 463 L C 0.195 176.972 176.870 -0.155 0.000 1.123 463 L CA -0.230 54.587 54.840 -0.038 0.000 0.900 463 L CB -0.499 41.607 42.059 0.079 0.000 1.146 463 L HN 0.214 nan 8.230 nan 0.000 0.484 464 N N -1.263 117.389 118.700 -0.080 0.000 2.782 464 N HA -0.232 4.514 4.740 0.011 0.000 0.251 464 N C -0.409 175.017 175.510 -0.140 0.000 1.101 464 N CA 0.878 53.861 53.050 -0.110 0.000 0.764 464 N CB -1.703 36.696 38.487 -0.147 0.000 1.122 464 N HN 0.292 nan 8.380 nan 0.000 0.561 465 Y N 1.054 121.331 120.300 -0.039 0.000 2.326 465 Y HA 0.161 4.717 4.550 0.011 0.000 0.333 465 Y C 1.907 177.822 175.900 0.026 0.000 1.240 465 Y CA 0.200 58.301 58.100 0.001 0.000 1.365 465 Y CB 0.471 38.914 38.460 -0.028 0.000 1.289 465 Y HN 0.066 nan 8.280 nan 0.000 0.548 466 T N -2.263 112.433 114.554 0.238 0.000 2.860 466 T HA 0.034 4.391 4.350 0.011 0.000 0.299 466 T C 1.179 175.957 174.700 0.129 0.000 1.045 466 T CA -0.297 61.892 62.100 0.148 0.000 1.071 466 T CB 0.955 69.903 68.868 0.133 0.000 0.985 466 T HN 0.757 nan 8.240 nan 0.000 0.537 467 T N 1.836 116.437 114.554 0.077 0.000 2.665 467 T HA -0.136 4.220 4.350 0.011 0.000 0.268 467 T C 1.791 176.524 174.700 0.056 0.000 1.035 467 T CA 2.093 64.225 62.100 0.054 0.000 1.151 467 T CB -0.512 68.376 68.868 0.033 0.000 0.862 467 T HN 0.792 nan 8.240 nan 0.000 0.438 468 E N 1.030 121.259 120.200 0.049 0.000 2.097 468 E HA -0.144 4.213 4.350 0.011 0.000 0.196 468 E C 2.225 178.860 176.600 0.059 0.000 1.000 468 E CA 1.291 57.703 56.400 0.020 0.000 0.804 468 E CB -0.215 29.471 29.700 -0.023 0.000 0.740 468 E HN 0.590 nan 8.360 nan 0.000 0.454 469 E N -0.041 120.241 120.200 0.136 0.000 2.153 469 E HA -0.159 4.197 4.350 0.011 0.000 0.194 469 E C 2.110 178.843 176.600 0.221 0.000 0.988 469 E CA 0.484 57.063 56.400 0.299 0.000 0.811 469 E CB -0.006 29.993 29.700 0.498 0.000 0.746 469 E HN 0.074 nan 8.360 nan 0.000 0.466 470 R N 0.747 121.304 120.500 0.095 0.000 2.073 470 R HA -0.144 4.202 4.340 0.011 0.000 0.234 470 R C 2.224 178.532 176.300 0.013 0.000 1.134 470 R CA 1.271 57.371 56.100 -0.001 0.000 0.952 470 R CB -0.293 30.003 30.300 -0.006 0.000 0.850 470 R HN 0.198 nan 8.270 nan 0.000 0.433 471 I N 0.181 120.781 120.570 0.050 0.000 2.394 471 I HA -0.261 3.916 4.170 0.011 0.000 0.251 471 I C 2.188 178.358 176.117 0.088 0.000 1.136 471 I CA 0.782 62.108 61.300 0.044 0.000 1.425 471 I CB -0.283 37.740 38.000 0.039 0.000 1.079 471 I HN 0.135 nan 8.210 nan 0.000 0.425 472 F N 1.797 121.718 119.950 -0.049 0.000 2.146 472 F HA -0.139 4.393 4.527 0.009 0.000 0.298 472 F C 2.386 178.184 175.800 -0.003 0.000 1.096 472 F CA 1.184 59.151 58.000 -0.056 0.000 1.275 472 F CB -0.553 38.372 39.000 -0.126 0.000 1.008 472 F HN 0.004 nan 8.300 nan 0.000 0.480 473 A N 0.280 123.063 122.820 -0.062 0.000 1.898 473 A HA -0.182 4.144 4.320 0.011 0.000 0.216 473 A C 2.144 179.606 177.584 -0.202 0.000 1.181 473 A CA 1.508 53.429 52.037 -0.194 0.000 0.620 473 A CB -0.789 18.107 19.000 -0.173 0.000 0.819 473 A HN 0.574 nan 8.150 nan 0.000 0.442 474 Q N -0.636 119.083 119.800 -0.135 0.000 2.096 474 Q HA -0.219 4.128 4.340 0.011 0.000 0.204 474 Q C 2.329 178.234 176.000 -0.158 0.000 0.982 474 Q CA 1.598 57.329 55.803 -0.120 0.000 0.850 474 Q CB -0.258 28.434 28.738 -0.076 0.000 0.901 474 Q HN 0.624 nan 8.270 nan 0.000 0.422 475 R N 0.476 120.866 120.500 -0.183 0.000 2.073 475 R HA -0.090 4.257 4.340 0.011 0.000 0.234 475 R C 2.343 178.370 176.300 -0.456 0.000 1.134 475 R CA 1.066 56.976 56.100 -0.317 0.000 0.952 475 R CB -0.169 30.019 30.300 -0.186 0.000 0.850 475 R HN 0.230 nan 8.270 nan 0.000 0.433 476 L N -0.218 120.842 121.223 -0.272 0.000 2.156 476 L HA -0.127 4.220 4.340 0.011 0.000 0.208 476 L C 2.406 179.261 176.870 -0.024 0.000 1.095 476 L CA 1.056 55.846 54.840 -0.082 0.000 0.770 476 L CB -0.182 41.670 42.059 -0.345 0.000 0.914 476 L HN 0.246 nan 8.230 nan 0.000 0.439 477 M N -0.952 118.566 119.600 -0.135 0.000 2.200 477 M HA -0.152 4.334 4.480 0.011 0.000 0.265 477 M C 2.248 178.552 176.300 0.006 0.000 1.066 477 M CA 1.455 56.706 55.300 -0.083 0.000 1.127 477 M CB -0.209 32.321 32.600 -0.117 0.000 1.379 477 M HN 0.053 nan 8.290 nan 0.000 0.420 478 K N -0.155 120.209 120.400 -0.060 0.000 2.057 478 K HA -0.147 4.180 4.320 0.011 0.000 0.207 478 K C 1.933 178.586 176.600 0.088 0.000 1.049 478 K CA 1.573 57.834 56.287 -0.042 0.000 0.931 478 K CB -0.304 32.117 32.500 -0.132 0.000 0.714 478 K HN 0.275 nan 8.250 nan 0.000 0.440 479 Y N 0.147 120.576 120.300 0.214 0.000 2.053 479 Y HA -0.264 4.294 4.550 0.013 0.000 0.277 479 Y C 2.414 178.476 175.900 0.269 0.000 1.159 479 Y CA 0.929 59.209 58.100 0.299 0.000 1.125 479 Y CB -1.002 37.781 38.460 0.538 0.000 0.969 479 Y HN 0.233 nan 8.280 nan 0.000 0.492 480 W N 0.550 121.934 121.300 0.141 0.000 2.335 480 W HA -0.244 4.421 4.660 0.010 0.000 0.311 480 W C 2.519 179.048 176.519 0.017 0.000 1.213 480 W CA 2.299 59.659 57.345 0.025 0.000 1.274 480 W CB -0.700 28.694 29.460 -0.110 0.000 1.148 480 W HN 0.252 nan 8.180 nan 0.000 0.498 481 T N -2.398 112.267 114.554 0.186 0.000 2.985 481 T HA -0.111 4.245 4.350 0.011 0.000 0.266 481 T C 1.389 176.124 174.700 0.058 0.000 1.076 481 T CA 1.093 63.236 62.100 0.072 0.000 1.135 481 T CB -0.528 68.358 68.868 0.031 0.000 0.890 481 T HN -0.089 nan 8.240 nan 0.000 0.480 482 N N 0.977 119.729 118.700 0.087 0.000 2.120 482 N HA 0.005 4.752 4.740 0.011 0.000 0.188 482 N C 1.307 176.822 175.510 0.008 0.000 1.024 482 N CA 0.952 54.032 53.050 0.051 0.000 0.852 482 N CB -0.679 37.859 38.487 0.085 0.000 1.003 482 N HN 0.485 nan 8.380 nan 0.000 0.424 483 F N 1.511 121.386 119.950 -0.125 0.000 2.102 483 F HA -0.093 4.441 4.527 0.010 0.000 0.298 483 F C 2.136 177.861 175.800 -0.125 0.000 1.105 483 F CA 1.413 59.286 58.000 -0.212 0.000 1.239 483 F CB -0.512 38.270 39.000 -0.362 0.000 0.991 483 F HN 0.038 nan 8.300 nan 0.000 0.474 484 A N 0.856 123.632 122.820 -0.072 0.000 1.865 484 A HA -0.213 4.114 4.320 0.011 0.000 0.217 484 A C 2.370 179.871 177.584 -0.138 0.000 1.191 484 A CA 1.910 53.879 52.037 -0.113 0.000 0.623 484 A CB -0.858 18.134 19.000 -0.014 0.000 0.826 484 A HN 0.453 nan 8.150 nan 0.000 0.444 485 R N -1.230 119.221 120.500 -0.081 0.000 2.105 485 R HA -0.113 4.234 4.340 0.011 0.000 0.239 485 R C 2.044 178.293 176.300 -0.084 0.000 1.135 485 R CA 1.959 58.025 56.100 -0.057 0.000 0.967 485 R CB -0.282 30.003 30.300 -0.024 0.000 0.861 485 R HN 0.778 nan 8.270 nan 0.000 0.442 486 T N -6.168 108.299 114.554 -0.145 0.000 2.993 486 T HA 0.231 4.587 4.350 0.011 0.000 0.260 486 T C 1.147 175.725 174.700 -0.204 0.000 0.939 486 T CA 0.482 62.507 62.100 -0.126 0.000 0.886 486 T CB 1.313 70.139 68.868 -0.070 0.000 1.209 486 T HN 0.321 nan 8.240 nan 0.000 0.518 487 G N 1.258 109.793 108.800 -0.443 0.000 2.141 487 G HA2 -0.128 3.839 3.960 0.011 0.000 0.242 487 G HA3 -0.128 3.839 3.960 0.011 0.000 0.242 487 G C -0.396 174.391 174.900 -0.188 0.000 0.982 487 G CA 0.159 44.922 45.100 -0.562 0.000 0.662 487 G HN 0.830 nan 8.290 nan 0.000 0.527 488 D N -0.622 119.671 120.400 -0.178 0.000 2.736 488 D HA 0.470 5.117 4.640 0.011 0.000 0.243 488 D C -1.421 174.737 176.300 -0.236 0.000 1.304 488 D CA -1.642 52.231 54.000 -0.211 0.000 0.934 488 D CB 2.080 42.852 40.800 -0.046 0.000 1.382 488 D HN -0.014 nan 8.370 nan 0.000 0.571 489 P HA -0.018 nan 4.420 nan 0.000 0.233 489 P C -0.019 177.337 177.300 0.094 0.000 1.167 489 P CA 0.104 63.088 63.100 -0.193 0.000 0.770 489 P CB 0.392 31.746 31.700 -0.575 0.000 0.837 490 N N 1.266 119.981 118.700 0.024 0.000 2.525 490 N HA 0.038 4.784 4.740 0.011 0.000 0.271 490 N C -0.069 175.512 175.510 0.118 0.000 1.194 490 N CA 0.209 53.352 53.050 0.155 0.000 0.964 490 N CB 0.788 39.358 38.487 0.137 0.000 1.126 490 N HN 0.045 nan 8.380 nan 0.000 0.452 491 D N 1.530 122.010 120.400 0.133 0.000 2.295 491 D HA 0.148 4.795 4.640 0.011 0.000 0.248 491 D C -1.539 174.804 176.300 0.071 0.000 1.154 491 D CA -1.651 52.400 54.000 0.085 0.000 0.857 491 D CB 1.609 42.453 40.800 0.073 0.000 1.117 491 D HN 0.238 nan 8.370 nan 0.000 0.468 492 P HA -0.042 nan 4.420 nan 0.000 0.217 492 P C 1.011 178.337 177.300 0.044 0.000 1.150 492 P CA 0.820 63.949 63.100 0.047 0.000 0.832 492 P CB 0.300 32.021 31.700 0.035 0.000 0.787 493 R N -0.929 119.594 120.500 0.039 0.000 2.316 493 R HA 0.021 4.367 4.340 0.011 0.000 0.202 493 R C 0.770 177.093 176.300 0.038 0.000 1.029 493 R CA 0.352 56.472 56.100 0.034 0.000 1.018 493 R CB -0.405 29.912 30.300 0.028 0.000 0.888 493 R HN 0.278 nan 8.270 nan 0.000 0.471 494 D N -1.105 119.324 120.400 0.048 0.000 2.332 494 D HA 0.175 4.822 4.640 0.011 0.000 0.252 494 D C -0.214 176.120 176.300 0.057 0.000 1.050 494 D CA -0.021 54.011 54.000 0.054 0.000 0.970 494 D CB 1.635 42.476 40.800 0.067 0.000 1.141 494 D HN -0.193 nan 8.370 nan 0.000 0.485 495 S N 0.065 115.797 115.700 0.054 0.000 2.809 495 S HA 0.277 4.753 4.470 0.011 0.000 0.248 495 S C -0.414 174.218 174.600 0.054 0.000 1.071 495 S CA 0.124 58.354 58.200 0.050 0.000 1.059 495 S CB 0.193 63.417 63.200 0.040 0.000 0.923 495 S HN 0.728 nan 8.310 nan 0.000 0.516 496 K N 0.938 121.377 120.400 0.066 0.000 6.228 496 K HA -0.070 4.256 4.320 0.011 0.000 0.581 496 K C 0.109 176.742 176.600 0.055 0.000 1.437 496 K CA 0.734 57.061 56.287 0.068 0.000 1.549 496 K CB -2.808 29.730 32.500 0.063 0.000 1.807 496 K HN 1.241 nan 8.250 nan 0.000 0.358 497 S N 1.538 117.272 115.700 0.058 0.000 3.371 497 S HA -0.074 4.403 4.470 0.011 0.000 0.353 497 S C -0.913 173.745 174.600 0.098 0.000 0.849 497 S CA 0.223 58.469 58.200 0.077 0.000 1.356 497 S CB -0.587 62.661 63.200 0.080 0.000 1.217 497 S HN 1.379 nan 8.310 nan 0.000 0.559 498 P HA 0.072 nan 4.420 nan 0.000 0.265 498 P C -0.091 177.288 177.300 0.133 0.000 1.187 498 P CA 0.072 63.227 63.100 0.091 0.000 0.766 498 P CB 0.440 32.177 31.700 0.062 0.000 0.820 499 Q N 1.037 120.920 119.800 0.138 0.000 2.260 499 Q HA 0.169 4.515 4.340 0.011 0.000 0.242 499 Q C -0.538 175.617 176.000 0.257 0.000 0.932 499 Q CA 0.061 55.982 55.803 0.196 0.000 0.891 499 Q CB 0.892 29.734 28.738 0.174 0.000 1.222 499 Q HN 0.575 nan 8.270 nan 0.000 0.453 500 W N 5.875 127.235 121.300 0.100 0.000 2.317 500 W HA 0.335 5.001 4.660 0.009 0.000 0.327 500 W C -2.443 174.230 176.519 0.256 0.000 1.036 500 W CA -2.589 54.829 57.345 0.121 0.000 1.419 500 W CB 0.447 29.914 29.460 0.011 0.000 1.253 500 W HN 0.359 nan 8.180 nan 0.000 0.392 501 P HA 0.301 nan 4.420 nan 0.000 0.282 501 P C -2.586 174.917 177.300 0.339 0.000 1.249 501 P CA -1.796 61.528 63.100 0.374 0.000 0.806 501 P CB 0.835 32.671 31.700 0.227 0.000 0.984 502 P HA 0.009 nan 4.420 nan 0.000 0.268 502 P C -0.688 176.602 177.300 -0.017 0.000 1.208 502 P CA 0.197 63.094 63.100 -0.338 0.000 0.777 502 P CB 0.055 31.520 31.700 -0.392 0.000 0.875 503 Y N 2.709 122.947 120.300 -0.103 0.000 2.393 503 Y HA 0.315 4.873 4.550 0.014 0.000 0.338 503 Y C 0.403 176.289 175.900 -0.023 0.000 1.029 503 Y CA 0.298 58.407 58.100 0.015 0.000 1.239 503 Y CB 0.124 38.614 38.460 0.051 0.000 1.170 503 Y HN 0.370 nan 8.280 nan 0.000 0.515 504 T N 0.197 114.462 114.554 -0.483 0.000 2.940 504 T HA 0.261 4.618 4.350 0.011 0.000 0.288 504 T C 1.035 175.418 174.700 -0.529 0.000 1.045 504 T CA -0.162 61.721 62.100 -0.361 0.000 1.018 504 T CB 1.359 70.117 68.868 -0.184 0.000 1.151 504 T HN 0.639 nan 8.240 nan 0.000 0.529 505 T N -1.331 113.073 114.554 -0.250 0.000 2.904 505 T HA 0.077 4.433 4.350 0.011 0.000 0.267 505 T C 2.287 176.910 174.700 -0.128 0.000 1.059 505 T CA 0.771 62.771 62.100 -0.166 0.000 1.137 505 T CB -0.819 68.023 68.868 -0.043 0.000 0.879 505 T HN 0.816 nan 8.240 nan 0.000 0.467 506 A N 1.803 124.559 122.820 -0.108 0.000 1.877 506 A HA 0.402 4.729 4.320 0.011 0.000 0.216 506 A C 2.644 180.184 177.584 -0.072 0.000 1.186 506 A CA 1.857 53.853 52.037 -0.068 0.000 0.620 506 A CB -1.133 17.838 19.000 -0.048 0.000 0.822 506 A HN 0.777 nan 8.150 nan 0.000 0.443 507 A N -2.755 119.998 122.820 -0.112 0.000 2.167 507 A HA 0.326 4.652 4.320 0.011 0.000 0.208 507 A C 0.942 178.473 177.584 -0.089 0.000 1.198 507 A CA 0.836 52.828 52.037 -0.076 0.000 0.863 507 A CB -0.087 18.884 19.000 -0.048 0.000 0.904 507 A HN 0.497 nan 8.150 nan 0.000 0.484 508 Q N 0.036 119.671 119.800 -0.276 0.000 2.453 508 Q HA -0.214 4.132 4.340 0.011 0.000 0.294 508 Q C -0.702 175.393 176.000 0.158 0.000 1.295 508 Q CA 0.697 56.318 55.803 -0.303 0.000 0.853 508 Q CB -1.657 27.096 28.738 0.024 0.000 1.193 508 Q HN 0.827 nan 8.270 nan 0.000 0.461 509 Q N 0.284 120.154 119.800 0.117 0.000 2.327 509 Q HA 0.464 4.810 4.340 0.011 0.000 0.254 509 Q C -0.324 175.996 176.000 0.533 0.000 0.952 509 Q CA 0.147 56.106 55.803 0.260 0.000 0.884 509 Q CB 0.606 29.430 28.738 0.145 0.000 1.224 509 Q HN 0.348 nan 8.270 nan 0.000 0.422 510 Y N -2.126 118.327 120.300 0.256 0.000 2.656 510 Y HA 0.640 5.203 4.550 0.021 0.000 0.334 510 Y C -1.218 174.718 175.900 0.061 0.000 1.179 510 Y CA -1.517 56.732 58.100 0.248 0.000 1.050 510 Y CB 0.482 39.077 38.460 0.225 0.000 1.308 510 Y HN 0.362 nan 8.280 nan 0.000 0.456 511 V N 0.008 119.889 119.914 -0.056 0.000 2.732 511 V HA 0.834 4.961 4.120 0.011 0.000 0.310 511 V C -0.074 175.948 176.094 -0.121 0.000 1.053 511 V CA -0.427 61.669 62.300 -0.340 0.000 0.957 511 V CB 1.248 32.564 31.823 -0.846 0.000 1.018 511 V HN 1.210 nan 8.190 nan 0.000 0.452 512 S N 4.132 119.748 115.700 -0.139 0.000 2.513 512 S HA 0.653 5.129 4.470 0.011 0.000 0.276 512 S C -0.453 174.117 174.600 -0.050 0.000 1.254 512 S CA -0.650 57.538 58.200 -0.020 0.000 1.053 512 S CB 0.494 63.669 63.200 -0.042 0.000 0.958 512 S HN 0.755 nan 8.310 nan 0.000 0.491 513 L N 4.241 125.483 121.223 0.032 0.000 2.264 513 L HA 0.500 4.847 4.340 0.011 0.000 0.287 513 L C -0.256 176.549 176.870 -0.109 0.000 1.039 513 L CA -0.419 54.455 54.840 0.057 0.000 0.829 513 L CB 0.026 42.209 42.059 0.206 0.000 1.211 513 L HN 0.945 nan 8.230 nan 0.000 0.427 514 N N 1.886 120.485 118.700 -0.169 0.000 3.364 514 N HA 0.354 5.100 4.740 0.011 0.000 0.294 514 N C 0.230 175.283 175.510 -0.761 0.000 1.562 514 N CA -1.002 51.702 53.050 -0.576 0.000 0.862 514 N CB 0.727 39.007 38.487 -0.345 0.000 1.691 514 N HN 0.152 nan 8.380 nan 0.000 0.572 515 L N -0.791 119.937 121.223 -0.826 0.000 2.201 515 L HA 0.073 4.420 4.340 0.011 0.000 0.212 515 L C 0.523 177.219 176.870 -0.290 0.000 1.105 515 L CA 0.969 55.408 54.840 -0.669 0.000 0.775 515 L CB -0.498 41.236 42.059 -0.543 0.000 0.913 515 L HN 0.388 nan 8.230 nan 0.000 0.440 516 K N 0.457 120.731 120.400 -0.210 0.000 2.202 516 K HA 0.230 4.556 4.320 0.011 0.000 0.264 516 K C -2.120 174.448 176.600 -0.053 0.000 1.010 516 K CA -1.871 54.353 56.287 -0.104 0.000 0.940 516 K CB -0.007 32.442 32.500 -0.085 0.000 0.983 516 K HN -0.190 nan 8.250 nan 0.000 0.475 517 P HA -0.067 nan 4.420 nan 0.000 0.269 517 P C -0.303 177.005 177.300 0.013 0.000 1.211 517 P CA -0.010 63.106 63.100 0.027 0.000 0.781 517 P CB 0.367 32.083 31.700 0.026 0.000 0.877 518 L N 1.335 122.581 121.223 0.037 0.000 2.615 518 L HA -0.062 4.284 4.340 0.011 0.000 0.284 518 L C 1.113 177.950 176.870 -0.054 0.000 1.237 518 L CA 0.832 55.653 54.840 -0.033 0.000 0.905 518 L CB -0.317 41.712 42.059 -0.050 0.000 1.149 518 L HN 0.506 nan 8.230 nan 0.000 0.499 519 E N 3.313 123.456 120.200 -0.095 0.000 2.176 519 E HA 0.371 4.728 4.350 0.011 0.000 0.267 519 E C -1.261 175.248 176.600 -0.152 0.000 0.893 519 E CA -0.795 55.548 56.400 -0.095 0.000 0.761 519 E CB 1.831 31.482 29.700 -0.082 0.000 1.133 519 E HN 0.316 nan 8.360 nan 0.000 0.409 520 V N 5.419 125.259 119.914 -0.124 0.000 2.488 520 V HA 0.331 4.458 4.120 0.011 0.000 0.277 520 V C 0.405 176.371 176.094 -0.213 0.000 1.046 520 V CA -0.115 62.092 62.300 -0.154 0.000 0.986 520 V CB 0.737 32.526 31.823 -0.057 0.000 0.989 520 V HN 0.690 nan 8.190 nan 0.000 0.475 521 R N 3.778 124.026 120.500 -0.421 0.000 2.873 521 R HA 0.754 5.100 4.340 0.011 0.000 0.264 521 R C -0.864 175.245 176.300 -0.318 0.000 1.026 521 R CA -1.129 54.699 56.100 -0.454 0.000 1.002 521 R CB 2.196 32.072 30.300 -0.706 0.000 1.174 521 R HN 0.552 nan 8.270 nan 0.000 0.488 522 R N -0.214 120.265 120.500 -0.034 0.000 2.494 522 R HA 0.449 4.796 4.340 0.011 0.000 0.305 522 R C -0.729 175.780 176.300 0.347 0.000 0.959 522 R CA -0.025 56.173 56.100 0.163 0.000 0.864 522 R CB 2.113 32.468 30.300 0.091 0.000 1.159 522 R HN 0.898 nan 8.270 nan 0.000 0.446 523 G N 2.664 111.730 108.800 0.443 0.000 3.445 523 G HA2 -0.241 3.725 3.960 0.011 0.000 0.634 523 G HA3 -0.241 3.725 3.960 0.011 0.000 0.634 523 G C -0.837 174.248 174.900 0.308 0.000 0.909 523 G CA -0.921 44.387 45.100 0.347 0.000 0.740 523 G HN 0.446 nan 8.290 nan 0.000 0.441 524 L N 3.776 125.042 121.223 0.072 0.000 2.407 524 L HA 0.370 4.717 4.340 0.011 0.000 0.282 524 L C 1.763 178.648 176.870 0.025 0.000 1.110 524 L CA -0.375 54.368 54.840 -0.162 0.000 0.863 524 L CB 0.452 42.318 42.059 -0.323 0.000 1.207 524 L HN 0.700 nan 8.230 nan 0.000 0.454 525 R N 2.547 123.099 120.500 0.087 0.000 3.266 525 R HA -0.316 4.031 4.340 0.011 0.000 0.245 525 R C 1.428 177.823 176.300 0.157 0.000 0.941 525 R CA 0.594 56.780 56.100 0.143 0.000 0.638 525 R CB -2.061 28.337 30.300 0.163 0.000 1.019 525 R HN 0.873 nan 8.270 nan 0.000 0.462 526 A N 0.853 123.764 122.820 0.151 0.000 1.881 526 A HA -0.321 4.006 4.320 0.011 0.000 0.219 526 A C 2.112 179.787 177.584 0.151 0.000 1.215 526 A CA 1.764 53.889 52.037 0.147 0.000 0.648 526 A CB -0.208 18.875 19.000 0.139 0.000 0.832 526 A HN 0.457 nan 8.150 nan 0.000 0.455 527 Q N -1.102 118.786 119.800 0.147 0.000 1.993 527 Q HA -0.137 4.210 4.340 0.011 0.000 0.202 527 Q C 2.327 178.451 176.000 0.208 0.000 0.984 527 Q CA 2.169 58.065 55.803 0.154 0.000 0.837 527 Q CB -1.289 27.526 28.738 0.128 0.000 0.902 527 Q HN 0.689 nan 8.270 nan 0.000 0.423 528 T N 0.650 115.348 114.554 0.239 0.000 2.788 528 T HA -0.129 4.228 4.350 0.011 0.000 0.268 528 T C 2.001 176.915 174.700 0.357 0.000 1.044 528 T CA 1.184 63.454 62.100 0.284 0.000 1.139 528 T CB -0.227 68.843 68.868 0.337 0.000 0.867 528 T HN 0.324 nan 8.240 nan 0.000 0.454 529 c N 1.331 120.126 118.600 0.324 0.000 2.464 529 c HA 0.293 4.870 4.570 0.011 0.000 0.278 529 c C 3.109 177.358 174.090 0.265 0.000 1.375 529 c CA -0.089 56.443 56.329 0.338 0.000 1.761 529 c CB -1.311 41.329 42.510 0.217 0.000 1.944 529 c HN 0.639 nan 8.230 nan 0.000 0.509 530 A N 0.256 123.201 122.820 0.208 0.000 1.978 530 A HA -0.216 4.110 4.320 0.011 0.000 0.220 530 A C 1.846 179.532 177.584 0.170 0.000 1.170 530 A CA 1.677 53.812 52.037 0.165 0.000 0.636 530 A CB -0.755 18.330 19.000 0.141 0.000 0.810 530 A HN 0.558 nan 8.150 nan 0.000 0.448 531 F N -0.829 119.116 119.950 -0.009 0.000 2.051 531 F HA -0.159 4.374 4.527 0.009 0.000 0.296 531 F C 1.982 177.737 175.800 -0.075 0.000 1.122 531 F CA 1.853 59.759 58.000 -0.156 0.000 1.201 531 F CB -0.641 37.987 39.000 -0.620 0.000 0.978 531 F HN 0.372 nan 8.300 nan 0.000 0.472 532 W N 0.624 121.921 121.300 -0.005 0.000 2.388 532 W HA -0.132 4.533 4.660 0.008 0.000 0.294 532 W C 2.143 178.612 176.519 -0.083 0.000 1.212 532 W CA 1.007 58.304 57.345 -0.079 0.000 1.271 532 W CB -0.553 28.980 29.460 0.122 0.000 1.126 532 W HN 0.008 nan 8.180 nan 0.000 0.535 533 N N -0.484 118.333 118.700 0.195 0.000 2.402 533 N HA 0.044 4.791 4.740 0.011 0.000 0.174 533 N C 1.536 177.073 175.510 0.046 0.000 1.027 533 N CA 0.851 53.963 53.050 0.103 0.000 0.891 533 N CB -0.265 38.283 38.487 0.102 0.000 1.016 533 N HN 0.217 nan 8.380 nan 0.000 0.439 534 R N -1.162 119.369 120.500 0.050 0.000 2.164 534 R HA 0.231 4.578 4.340 0.011 0.000 0.198 534 R C 1.469 177.792 176.300 0.039 0.000 1.028 534 R CA 0.094 56.223 56.100 0.048 0.000 1.083 534 R CB -0.079 30.270 30.300 0.082 0.000 1.026 534 R HN 0.044 nan 8.270 nan 0.000 0.514 535 F N 1.037 120.891 119.950 -0.160 0.000 2.104 535 F HA 0.012 4.546 4.527 0.011 0.000 0.288 535 F C 1.840 177.464 175.800 -0.293 0.000 1.107 535 F CA 0.850 58.719 58.000 -0.218 0.000 1.208 535 F CB -0.444 38.417 39.000 -0.232 0.000 1.033 535 F HN -0.164 nan 8.300 nan 0.000 0.478 536 L N 1.102 121.966 121.223 -0.598 0.000 2.051 536 L HA -0.168 4.179 4.340 0.011 0.000 0.214 536 L C -0.782 175.845 176.870 -0.405 0.000 1.076 536 L CA 2.237 56.703 54.840 -0.623 0.000 0.758 536 L CB -1.797 39.946 42.059 -0.527 0.000 0.890 536 L HN 0.058 nan 8.230 nan 0.000 0.433 537 P HA -0.248 nan 4.420 nan 0.000 0.217 537 P C 1.205 178.371 177.300 -0.223 0.000 1.158 537 P CA 1.777 64.774 63.100 -0.172 0.000 0.887 537 P CB -0.151 31.483 31.700 -0.110 0.000 0.792 538 K N -1.334 118.888 120.400 -0.297 0.000 2.362 538 K HA -0.063 4.263 4.320 0.011 0.000 0.200 538 K C 1.636 178.019 176.600 -0.361 0.000 1.046 538 K CA 0.729 56.842 56.287 -0.291 0.000 0.952 538 K CB -0.557 31.788 32.500 -0.259 0.000 0.753 538 K HN 0.146 nan 8.250 nan 0.000 0.466 539 L N 0.881 121.803 121.223 -0.503 0.000 2.591 539 L HA 0.024 4.370 4.340 0.011 0.000 0.228 539 L C 1.637 178.376 176.870 -0.218 0.000 1.133 539 L CA 0.515 55.123 54.840 -0.388 0.000 0.880 539 L CB -0.033 41.735 42.059 -0.485 0.000 1.033 539 L HN 0.077 nan 8.230 nan 0.000 0.450 540 L N -2.245 118.864 121.223 -0.190 0.000 2.262 540 L HA 0.260 4.607 4.340 0.011 0.000 0.197 540 L C 1.602 178.413 176.870 -0.099 0.000 1.073 540 L CA 0.562 55.330 54.840 -0.119 0.000 0.800 540 L CB -0.368 41.633 42.059 -0.096 0.000 0.987 540 L HN 0.009 nan 8.230 nan 0.000 0.470 541 S N 0.000 115.637 115.700 -0.104 0.000 2.498 541 S HA 0.000 4.476 4.470 0.011 0.000 0.327 541 S CA 0.000 58.152 58.200 -0.080 0.000 1.107 541 S CB 0.000 63.150 63.200 -0.083 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517