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 1n5r_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.613 176.600 0.021 0.000 1.382 1 E CA 0.000 56.416 56.400 0.027 0.000 0.976 1 E CB 0.000 29.719 29.700 0.032 0.000 0.812 2 G N 0.131 108.943 108.800 0.020 0.000 3.288 2 G HA2 -0.181 3.784 3.960 0.008 0.000 0.195 2 G HA3 -0.181 3.784 3.960 0.008 0.000 0.195 2 G C 0.991 175.900 174.900 0.016 0.000 1.093 2 G CA 0.187 45.297 45.100 0.016 0.000 0.852 2 G HN 0.329 nan 8.290 nan 0.000 0.453 3 R N 1.231 121.741 120.500 0.016 0.000 2.308 3 R HA 0.404 4.749 4.340 0.008 0.000 0.202 3 R C 0.670 176.981 176.300 0.019 0.000 0.898 3 R CA 0.408 56.517 56.100 0.015 0.000 1.046 3 R CB 0.265 30.572 30.300 0.012 0.000 1.026 3 R HN 0.570 nan 8.270 nan 0.000 0.512 4 E N 0.451 120.665 120.200 0.023 0.000 2.314 4 E HA 0.031 4.386 4.350 0.008 0.000 0.262 4 E C -0.667 175.955 176.600 0.037 0.000 1.093 4 E CA -0.639 55.778 56.400 0.028 0.000 0.908 4 E CB 0.468 30.187 29.700 0.031 0.000 1.091 4 E HN -0.051 nan 8.360 nan 0.000 0.425 5 D N 2.446 122.875 120.400 0.048 0.000 2.402 5 D HA -0.035 4.610 4.640 0.008 0.000 0.268 5 D C -1.377 174.962 176.300 0.065 0.000 1.294 5 D CA -1.562 52.480 54.000 0.071 0.000 0.945 5 D CB 0.733 41.598 40.800 0.108 0.000 1.112 5 D HN 0.167 nan 8.370 nan 0.000 0.517 6 P HA -0.183 nan 4.420 nan 0.000 0.225 6 P C 0.978 178.292 177.300 0.023 0.000 1.148 6 P CA 0.771 63.889 63.100 0.031 0.000 0.779 6 P CB 0.425 32.135 31.700 0.016 0.000 0.780 7 Q N -0.160 119.648 119.800 0.014 0.000 2.403 7 Q HA 0.093 4.438 4.340 0.008 0.000 0.203 7 Q C 1.574 177.608 176.000 0.057 0.000 0.932 7 Q CA 0.609 56.385 55.803 -0.045 0.000 0.945 7 Q CB -0.668 27.914 28.738 -0.259 0.000 1.045 7 Q HN 0.252 nan 8.270 nan 0.000 0.511 8 L N -0.079 121.219 121.223 0.124 0.000 2.808 8 L HA 0.340 4.685 4.340 0.008 0.000 0.246 8 L C -0.468 176.579 176.870 0.294 0.000 1.153 8 L CA -0.193 54.764 54.840 0.194 0.000 0.956 8 L CB 0.465 42.571 42.059 0.080 0.000 1.270 8 L HN 0.074 nan 8.230 nan 0.000 0.528 9 L N 0.719 122.061 121.223 0.198 0.000 2.287 9 L HA 0.585 4.930 4.340 0.008 0.000 0.287 9 L C -0.632 176.289 176.870 0.084 0.000 1.022 9 L CA -0.468 54.469 54.840 0.161 0.000 0.814 9 L CB 1.870 43.983 42.059 0.090 0.000 1.217 9 L HN -0.228 nan 8.230 nan 0.000 0.420 10 V N 3.116 123.053 119.914 0.039 0.000 3.078 10 V HA 0.552 4.677 4.120 0.008 0.000 0.311 10 V C -0.601 175.414 176.094 -0.131 0.000 1.138 10 V CA -0.814 61.371 62.300 -0.191 0.000 1.007 10 V CB 2.893 34.342 31.823 -0.624 0.000 1.045 10 V HN 0.756 nan 8.190 nan 0.000 0.432 11 R N 1.733 122.117 120.500 -0.193 0.000 2.599 11 R HA 0.849 5.194 4.340 0.008 0.000 0.295 11 R C -1.200 175.009 176.300 -0.151 0.000 0.963 11 R CA -0.356 55.680 56.100 -0.106 0.000 0.883 11 R CB 2.010 32.254 30.300 -0.095 0.000 1.171 11 R HN 0.721 nan 8.270 nan 0.000 0.450 12 V N 1.643 121.531 119.914 -0.044 0.000 3.158 12 V HA 0.515 4.640 4.120 0.008 0.000 0.315 12 V C 1.110 177.143 176.094 -0.102 0.000 1.148 12 V CA -1.013 61.259 62.300 -0.046 0.000 1.042 12 V CB 1.718 33.668 31.823 0.211 0.000 1.101 12 V HN 0.884 nan 8.190 nan 0.000 0.448 13 R N 1.774 122.194 120.500 -0.132 0.000 2.153 13 R HA -0.080 4.265 4.340 0.008 0.000 0.252 13 R C 1.710 177.889 176.300 -0.202 0.000 1.158 13 R CA 2.576 58.591 56.100 -0.142 0.000 0.975 13 R CB -1.160 29.069 30.300 -0.118 0.000 0.871 13 R HN 1.075 nan 8.270 nan 0.000 0.450 14 G N -2.197 106.443 108.800 -0.267 0.000 2.939 14 G HA2 0.416 4.381 3.960 0.008 0.000 0.210 14 G HA3 0.416 4.381 3.960 0.008 0.000 0.210 14 G C 0.290 174.301 174.900 -1.482 0.000 1.160 14 G CA 0.309 44.990 45.100 -0.698 0.000 0.770 14 G HN 0.734 nan 8.290 nan 0.000 0.543 15 G N -1.069 107.158 108.800 -0.955 0.000 2.350 15 G HA2 0.185 4.150 3.960 0.008 0.000 0.282 15 G HA3 0.185 4.150 3.960 0.008 0.000 0.282 15 G C -1.342 173.527 174.900 -0.053 0.000 1.314 15 G CA -0.971 43.659 45.100 -0.784 0.000 0.915 15 G HN 0.220 nan 8.290 nan 0.000 0.499 16 Q N -0.375 119.545 119.800 0.200 0.000 2.259 16 Q HA 0.675 5.020 4.340 0.008 0.000 0.249 16 Q C -0.459 175.816 176.000 0.459 0.000 0.914 16 Q CA -0.176 55.794 55.803 0.279 0.000 0.904 16 Q CB 1.634 30.479 28.738 0.177 0.000 1.213 16 Q HN 0.437 nan 8.270 nan 0.000 0.428 17 L N 1.707 123.126 121.223 0.326 0.000 2.370 17 L HA 0.634 4.979 4.340 0.008 0.000 0.266 17 L C -0.476 176.577 176.870 0.306 0.000 1.002 17 L CA -0.835 54.203 54.840 0.331 0.000 0.818 17 L CB 2.156 44.452 42.059 0.394 0.000 1.325 17 L HN 0.450 nan 8.230 nan 0.000 0.418 18 R N 0.654 121.313 120.500 0.265 0.000 2.409 18 R HA 0.631 4.977 4.340 0.008 0.000 0.313 18 R C -0.279 176.111 176.300 0.151 0.000 0.953 18 R CA -0.318 55.909 56.100 0.211 0.000 0.849 18 R CB 1.652 32.014 30.300 0.104 0.000 1.171 18 R HN 0.824 nan 8.270 nan 0.000 0.458 19 G N 3.342 112.169 108.800 0.046 0.000 2.531 19 G HA2 0.460 4.425 3.960 0.008 0.000 0.281 19 G HA3 0.460 4.425 3.960 0.008 0.000 0.281 19 G C -0.921 173.762 174.900 -0.362 0.000 1.382 19 G CA -0.675 44.115 45.100 -0.517 0.000 1.045 19 G HN 0.579 nan 8.290 nan 0.000 0.533 20 I N -1.012 119.293 120.570 -0.441 0.000 2.686 20 I HA 0.511 4.686 4.170 0.008 0.000 0.295 20 I C -0.363 175.622 176.117 -0.220 0.000 1.114 20 I CA -1.114 60.031 61.300 -0.257 0.000 1.038 20 I CB 2.225 40.084 38.000 -0.236 0.000 1.238 20 I HN 0.423 nan 8.210 nan 0.000 0.420 21 R N 7.364 127.777 120.500 -0.145 0.000 2.216 21 R HA 0.551 4.896 4.340 0.008 0.000 0.332 21 R C -1.567 174.624 176.300 -0.182 0.000 1.056 21 R CA -0.349 55.646 56.100 -0.175 0.000 0.901 21 R CB 0.586 30.721 30.300 -0.274 0.000 1.039 21 R HN 0.612 nan 8.270 nan 0.000 0.456 22 L N 3.182 124.316 121.223 -0.149 0.000 2.334 22 L HA 0.469 4.814 4.340 0.008 0.000 0.270 22 L C 0.056 176.850 176.870 -0.126 0.000 1.018 22 L CA -1.159 53.612 54.840 -0.115 0.000 0.811 22 L CB 1.533 43.559 42.059 -0.054 0.000 1.271 22 L HN 0.340 nan 8.230 nan 0.000 0.443 23 K N 1.876 122.211 120.400 -0.110 0.000 2.248 23 K HA 0.651 4.976 4.320 0.008 0.000 0.281 23 K C -0.819 175.718 176.600 -0.105 0.000 1.054 23 K CA -0.172 56.055 56.287 -0.101 0.000 0.903 23 K CB 1.460 33.914 32.500 -0.077 0.000 1.077 23 K HN 0.696 nan 8.250 nan 0.000 0.474 24 A N 5.447 128.209 122.820 -0.098 0.000 2.330 24 A HA 0.580 4.905 4.320 0.008 0.000 0.329 24 A C -1.873 175.707 177.584 -0.006 0.000 1.135 24 A CA -1.591 50.379 52.037 -0.112 0.000 0.817 24 A CB 0.853 19.773 19.000 -0.134 0.000 1.269 24 A HN 0.450 nan 8.150 nan 0.000 0.469 25 P HA -0.170 nan 4.420 nan 0.000 0.216 25 P C 1.299 178.626 177.300 0.046 0.000 1.157 25 P CA 2.315 65.463 63.100 0.081 0.000 0.880 25 P CB 0.229 32.008 31.700 0.132 0.000 0.791 26 G N -2.412 106.417 108.800 0.048 0.000 3.141 26 G HA2 0.456 4.421 3.960 0.008 0.000 0.218 26 G HA3 0.456 4.421 3.960 0.008 0.000 0.218 26 G C 0.457 175.370 174.900 0.022 0.000 1.170 26 G CA 0.429 45.549 45.100 0.033 0.000 0.769 26 G HN 0.612 nan 8.290 nan 0.000 0.546 27 G N -0.440 108.364 108.800 0.006 0.000 2.368 27 G HA2 0.347 4.312 3.960 0.008 0.000 0.302 27 G HA3 0.347 4.312 3.960 0.008 0.000 0.302 27 G C -3.402 171.477 174.900 -0.035 0.000 1.329 27 G CA -0.726 44.370 45.100 -0.006 0.000 0.935 27 G HN 0.046 nan 8.290 nan 0.000 0.590 28 P HA 0.549 nan 4.420 nan 0.000 0.276 28 P C -0.105 177.179 177.300 -0.027 0.000 1.244 28 P CA -0.219 62.788 63.100 -0.155 0.000 0.801 28 P CB 1.729 33.172 31.700 -0.429 0.000 1.006 29 V N -1.946 117.959 119.914 -0.015 0.000 3.078 29 V HA 0.633 4.758 4.120 0.008 0.000 0.311 29 V C -0.405 175.785 176.094 0.161 0.000 1.138 29 V CA -0.918 61.465 62.300 0.137 0.000 1.007 29 V CB 1.733 33.635 31.823 0.132 0.000 1.045 29 V HN 0.445 nan 8.190 nan 0.000 0.432 30 S N 1.711 117.567 115.700 0.260 0.000 2.480 30 S HA 0.865 5.340 4.470 0.008 0.000 0.286 30 S C 0.026 174.619 174.600 -0.011 0.000 1.180 30 S CA 0.019 58.312 58.200 0.155 0.000 1.075 30 S CB 1.261 64.638 63.200 0.296 0.000 0.996 30 S HN 1.582 nan 8.310 nan 0.000 0.487 31 A N 2.678 125.294 122.820 -0.340 0.000 2.356 31 A HA 0.804 5.129 4.320 0.008 0.000 0.310 31 A C -1.265 175.876 177.584 -0.738 0.000 1.075 31 A CA -0.634 51.105 52.037 -0.498 0.000 0.746 31 A CB 0.519 19.213 19.000 -0.510 0.000 1.221 31 A HN 0.685 nan 8.150 nan 0.000 0.443 32 F N 2.757 122.528 119.950 -0.298 0.000 2.434 32 F HA 0.478 5.010 4.527 0.008 0.000 0.367 32 F C -0.232 175.374 175.800 -0.323 0.000 1.093 32 F CA -0.291 57.610 58.000 -0.166 0.000 1.085 32 F CB 1.299 40.345 39.000 0.078 0.000 1.322 32 F HN 0.355 nan 8.300 nan 0.000 0.452 33 L N 2.069 123.129 121.223 -0.272 0.000 2.325 33 L HA 0.754 5.099 4.340 0.008 0.000 0.278 33 L C 0.897 177.661 176.870 -0.175 0.000 1.023 33 L CA -1.024 53.608 54.840 -0.348 0.000 0.811 33 L CB 1.677 43.326 42.059 -0.684 0.000 1.249 33 L HN 0.798 nan 8.230 nan 0.000 0.431 34 G N 2.854 111.611 108.800 -0.073 0.000 2.212 34 G HA2 -0.241 3.724 3.960 0.008 0.000 0.255 34 G HA3 -0.241 3.724 3.960 0.008 0.000 0.255 34 G C -0.180 174.762 174.900 0.071 0.000 1.062 34 G CA -0.406 44.667 45.100 -0.046 0.000 0.815 34 G HN 0.471 nan 8.290 nan 0.000 0.497 35 I N 2.251 122.872 120.570 0.085 0.000 2.396 35 I HA 0.236 4.411 4.170 0.008 0.000 0.289 35 I C -1.409 174.782 176.117 0.122 0.000 1.056 35 I CA -2.141 59.195 61.300 0.060 0.000 1.365 35 I CB 1.107 39.083 38.000 -0.040 0.000 1.407 35 I HN -0.013 nan 8.210 nan 0.000 0.509 36 P HA 0.042 nan 4.420 nan 0.000 0.276 36 P C -0.288 176.978 177.300 -0.057 0.000 1.235 36 P CA 0.029 63.023 63.100 -0.177 0.000 0.772 36 P CB 0.543 32.137 31.700 -0.177 0.000 0.871 37 F N 1.064 120.869 119.950 -0.243 0.000 2.746 37 F HA 0.733 5.266 4.527 0.009 0.000 0.320 37 F C -0.036 175.755 175.800 -0.015 0.000 1.097 37 F CA -0.766 57.159 58.000 -0.124 0.000 1.195 37 F CB 0.252 39.082 39.000 -0.284 0.000 1.056 37 F HN 0.339 nan 8.300 nan 0.000 0.562 38 A N 0.054 122.603 122.820 -0.452 0.000 2.587 38 A HA 0.601 4.926 4.320 0.008 0.000 0.293 38 A C -0.962 176.461 177.584 -0.269 0.000 1.087 38 A CA -0.761 51.091 52.037 -0.308 0.000 0.692 38 A CB 1.070 19.795 19.000 -0.459 0.000 1.291 38 A HN 0.055 nan 8.150 nan 0.000 0.407 39 E N 1.162 121.281 120.200 -0.136 0.000 2.373 39 E HA 0.278 4.633 4.350 0.008 0.000 0.267 39 E C -2.342 174.161 176.600 -0.161 0.000 1.032 39 E CA -1.454 54.883 56.400 -0.105 0.000 0.889 39 E CB 0.158 29.834 29.700 -0.041 0.000 0.984 39 E HN 0.247 nan 8.360 nan 0.000 0.425 40 P HA -0.029 nan 4.420 nan 0.000 0.258 40 P C -2.203 175.029 177.300 -0.113 0.000 1.172 40 P CA -0.554 62.459 63.100 -0.146 0.000 0.762 40 P CB -0.033 31.618 31.700 -0.080 0.000 0.764 41 P HA 0.011 nan 4.420 nan 0.000 0.218 41 P C -0.217 177.024 177.300 -0.097 0.000 1.793 41 P CA 0.069 63.110 63.100 -0.098 0.000 0.941 41 P CB -0.091 31.550 31.700 -0.098 0.000 1.919 42 V N -2.670 117.195 119.914 -0.083 0.000 3.193 42 V HA 0.869 4.994 4.120 0.008 0.000 0.320 42 V C 1.144 177.198 176.094 -0.068 0.000 1.112 42 V CA 0.141 62.392 62.300 -0.081 0.000 1.026 42 V CB 0.576 32.361 31.823 -0.063 0.000 1.128 42 V HN 0.517 nan 8.190 nan 0.000 0.452 43 G N 2.085 110.847 108.800 -0.065 0.000 2.660 43 G HA2 -0.377 3.588 3.960 0.008 0.000 0.321 43 G HA3 -0.377 3.588 3.960 0.008 0.000 0.321 43 G C 1.271 176.145 174.900 -0.043 0.000 1.246 43 G CA 2.051 47.124 45.100 -0.045 0.000 1.000 43 G HN 2.328 nan 8.290 nan 0.000 0.550 44 S N 0.460 116.147 115.700 -0.021 0.000 2.500 44 S HA -0.001 4.474 4.470 0.008 0.000 0.239 44 S C 1.899 176.493 174.600 -0.010 0.000 0.989 44 S CA 1.628 59.825 58.200 -0.004 0.000 0.951 44 S CB -0.108 63.096 63.200 0.006 0.000 0.759 44 S HN 0.702 nan 8.310 nan 0.000 0.523 45 R N 0.831 121.310 120.500 -0.035 0.000 2.310 45 R HA 0.222 4.567 4.340 0.008 0.000 0.202 45 R C 0.927 177.178 176.300 -0.081 0.000 0.933 45 R CA -0.201 55.875 56.100 -0.039 0.000 1.054 45 R CB -0.031 30.244 30.300 -0.041 0.000 0.985 45 R HN 0.404 nan 8.270 nan 0.000 0.489 46 R N 0.857 121.260 120.500 -0.161 0.000 2.570 46 R HA -0.112 4.233 4.340 0.008 0.000 0.277 46 R C -0.347 175.724 176.300 -0.383 0.000 1.039 46 R CA 0.529 56.392 56.100 -0.395 0.000 1.065 46 R CB 0.172 30.104 30.300 -0.613 0.000 0.964 46 R HN 0.093 nan 8.270 nan 0.000 0.428 47 F N -0.839 119.111 119.950 -0.000 0.000 2.705 47 F HA -0.312 4.219 4.527 0.008 0.000 0.413 47 F C 0.099 175.880 175.800 -0.031 0.000 0.588 47 F CA 0.746 58.723 58.000 -0.039 0.000 1.187 47 F CB -1.694 37.272 39.000 -0.056 0.000 1.737 47 F HN 0.470 nan 8.300 nan 0.000 0.285 48 M N 0.880 120.536 119.600 0.094 0.000 2.444 48 M HA 0.426 4.911 4.480 0.008 0.000 0.319 48 M C -2.028 174.294 176.300 0.038 0.000 1.183 48 M CA -1.510 53.830 55.300 0.066 0.000 1.032 48 M CB 0.796 33.424 32.600 0.047 0.000 1.569 48 M HN -0.371 nan 8.290 nan 0.000 0.468 49 P HA 0.069 nan 4.420 nan 0.000 0.268 49 P C -2.430 174.894 177.300 0.041 0.000 1.208 49 P CA -0.455 62.675 63.100 0.050 0.000 0.777 49 P CB -0.334 31.406 31.700 0.066 0.000 0.875 50 P HA 0.195 nan 4.420 nan 0.000 0.277 50 P C -0.785 176.545 177.300 0.049 0.000 1.240 50 P CA -0.087 63.032 63.100 0.032 0.000 0.798 50 P CB 1.125 32.857 31.700 0.052 0.000 0.979 51 E N 2.445 122.660 120.200 0.025 0.000 2.195 51 E HA 0.392 4.747 4.350 0.008 0.000 0.271 51 E C -2.338 174.293 176.600 0.051 0.000 0.923 51 E CA -2.351 54.074 56.400 0.041 0.000 0.790 51 E CB 0.795 30.510 29.700 0.025 0.000 1.155 51 E HN 0.336 nan 8.360 nan 0.000 0.402 52 P HA -0.075 nan 4.420 nan 0.000 0.266 52 P C -0.685 176.677 177.300 0.104 0.000 1.195 52 P CA -0.081 63.096 63.100 0.129 0.000 0.768 52 P CB 0.417 32.198 31.700 0.136 0.000 0.838 53 K N 3.960 124.441 120.400 0.136 0.000 2.451 53 K HA 0.014 4.339 4.320 0.008 0.000 0.280 53 K C 0.020 176.722 176.600 0.170 0.000 1.020 53 K CA 0.561 56.932 56.287 0.140 0.000 1.008 53 K CB 0.103 32.731 32.500 0.214 0.000 0.917 53 K HN 0.284 nan 8.250 nan 0.000 0.478 54 R N 5.261 125.845 120.500 0.140 0.000 2.490 54 R HA 0.189 4.534 4.340 0.008 0.000 0.280 54 R C -1.999 174.391 176.300 0.150 0.000 1.077 54 R CA -1.749 54.419 56.100 0.114 0.000 1.065 54 R CB 0.093 30.443 30.300 0.084 0.000 1.003 54 R HN 0.580 nan 8.270 nan 0.000 0.470 55 P HA -0.109 nan 4.420 nan 0.000 0.266 55 P C -1.048 176.245 177.300 -0.012 0.000 1.193 55 P CA 0.270 63.278 63.100 -0.153 0.000 0.770 55 P CB 0.302 31.884 31.700 -0.197 0.000 0.836 56 W N 1.056 122.392 121.300 0.059 0.000 2.762 56 W HA 0.714 5.379 4.660 0.008 0.000 0.355 56 W C -0.751 175.795 176.519 0.045 0.000 1.124 56 W CA -0.968 56.409 57.345 0.052 0.000 1.141 56 W CB 0.017 29.516 29.460 0.064 0.000 1.432 56 W HN 0.365 nan 8.180 nan 0.000 0.586 57 S N 1.002 116.867 115.700 0.275 0.000 2.593 57 S HA 0.874 5.349 4.470 0.008 0.000 0.297 57 S C 0.266 175.024 174.600 0.264 0.000 1.112 57 S CA -0.075 58.221 58.200 0.161 0.000 1.043 57 S CB 1.021 64.281 63.200 0.100 0.000 1.054 57 S HN 2.182 nan 8.310 nan 0.000 0.516 58 G N 0.076 108.985 108.800 0.182 0.000 2.681 58 G HA2 -0.100 3.865 3.960 0.008 0.000 0.220 58 G HA3 -0.100 3.865 3.960 0.008 0.000 0.220 58 G C -0.852 174.209 174.900 0.268 0.000 1.353 58 G CA -0.443 44.767 45.100 0.183 0.000 0.872 58 G HN 1.648 nan 8.290 nan 0.000 0.557 59 V N 0.951 120.985 119.914 0.201 0.000 2.333 59 V HA 0.526 4.651 4.120 0.008 0.000 0.274 59 V C 0.929 177.114 176.094 0.152 0.000 1.028 59 V CA -0.241 62.185 62.300 0.211 0.000 0.851 59 V CB 1.091 32.996 31.823 0.136 0.000 1.000 59 V HN 0.838 nan 8.190 nan 0.000 0.456 60 L N 4.561 125.874 121.223 0.150 0.000 2.410 60 L HA 0.312 4.657 4.340 0.008 0.000 0.273 60 L C 0.610 177.456 176.870 -0.040 0.000 1.152 60 L CA 0.074 54.835 54.840 -0.132 0.000 0.855 60 L CB 0.658 42.338 42.059 -0.632 0.000 1.129 60 L HN 0.698 nan 8.230 nan 0.000 0.463 61 D N 4.963 125.321 120.400 -0.069 0.000 2.339 61 D HA 0.158 4.803 4.640 0.008 0.000 0.256 61 D C -0.431 175.829 176.300 -0.067 0.000 1.214 61 D CA -0.006 53.966 54.000 -0.046 0.000 0.877 61 D CB 1.438 42.201 40.800 -0.060 0.000 1.111 61 D HN 0.681 nan 8.370 nan 0.000 0.478 62 A N 3.276 126.083 122.820 -0.021 0.000 3.154 62 A HA 0.212 4.537 4.320 0.008 0.000 0.310 62 A C 0.977 178.481 177.584 -0.133 0.000 1.093 62 A CA -0.474 51.541 52.037 -0.036 0.000 1.006 62 A CB -0.124 18.955 19.000 0.131 0.000 1.084 62 A HN 0.565 nan 8.150 nan 0.000 0.549 63 T N -3.155 111.300 114.554 -0.165 0.000 3.023 63 T HA 0.270 4.625 4.350 0.008 0.000 0.253 63 T C 0.691 175.231 174.700 -0.265 0.000 1.038 63 T CA 0.750 62.720 62.100 -0.217 0.000 0.962 63 T CB -0.200 68.573 68.868 -0.158 0.000 1.018 63 T HN 0.750 nan 8.240 nan 0.000 0.521 64 T N -0.627 113.770 114.554 -0.261 0.000 2.883 64 T HA 0.692 5.047 4.350 0.008 0.000 0.301 64 T C -0.874 173.669 174.700 -0.261 0.000 1.158 64 T CA -0.915 61.023 62.100 -0.271 0.000 1.007 64 T CB 1.062 69.841 68.868 -0.148 0.000 1.186 64 T HN -0.010 nan 8.240 nan 0.000 0.499 65 F N 2.028 121.906 119.950 -0.120 0.000 2.506 65 F HA 0.350 4.882 4.527 0.008 0.000 0.351 65 F C 1.458 177.152 175.800 -0.176 0.000 1.136 65 F CA -0.127 57.802 58.000 -0.119 0.000 1.298 65 F CB 0.531 39.492 39.000 -0.066 0.000 1.145 65 F HN 0.484 nan 8.300 nan 0.000 0.593 66 Q N 1.425 121.220 119.800 -0.008 0.000 2.162 66 Q HA 0.213 4.558 4.340 0.008 0.000 0.197 66 Q C -0.138 175.775 176.000 -0.144 0.000 1.013 66 Q CA -0.726 54.910 55.803 -0.277 0.000 1.040 66 Q CB 0.537 28.775 28.738 -0.833 0.000 1.114 66 Q HN 0.526 nan 8.270 nan 0.000 0.547 67 N N -0.261 118.326 118.700 -0.189 0.000 2.329 67 N HA -0.015 4.730 4.740 0.008 0.000 0.237 67 N C -0.503 174.989 175.510 -0.030 0.000 1.258 67 N CA 0.205 53.205 53.050 -0.083 0.000 0.866 67 N CB 0.324 38.783 38.487 -0.046 0.000 1.102 67 N HN 0.168 nan 8.380 nan 0.000 0.440 68 V N 1.407 121.278 119.914 -0.072 0.000 2.539 68 V HA 0.123 4.248 4.120 0.008 0.000 0.292 68 V C 0.544 176.587 176.094 -0.085 0.000 1.045 68 V CA -0.858 61.389 62.300 -0.088 0.000 0.945 68 V CB 1.355 33.088 31.823 -0.150 0.000 0.993 68 V HN 0.721 nan 8.190 nan 0.000 0.464 69 c N 3.996 122.563 118.600 -0.055 0.000 2.657 69 c HA 0.108 4.683 4.570 0.008 0.000 0.420 69 c C 0.497 174.521 174.090 -0.109 0.000 1.323 69 c CA -0.574 55.722 56.329 -0.056 0.000 1.894 69 c CB -1.057 41.451 42.510 -0.003 0.000 2.681 69 c HN 0.746 nan 8.230 nan 0.000 0.613 70 Y N 4.007 124.142 120.300 -0.274 0.000 2.805 70 Y HA 0.167 4.722 4.550 0.008 0.000 0.331 70 Y C 0.891 176.754 175.900 -0.061 0.000 1.241 70 Y CA 1.147 59.068 58.100 -0.298 0.000 1.546 70 Y CB 0.112 38.142 38.460 -0.717 0.000 1.248 70 Y HN 0.744 nan 8.280 nan 0.000 0.559 71 Q N 3.948 123.737 119.800 -0.017 0.000 2.630 71 Q HA 0.228 4.573 4.340 0.008 0.000 0.295 71 Q C -1.815 174.348 176.000 0.272 0.000 0.944 71 Q CA -1.252 54.704 55.803 0.256 0.000 0.766 71 Q CB 1.348 30.194 28.738 0.179 0.000 1.471 71 Q HN 0.635 nan 8.270 nan 0.000 0.416 72 Y N 0.996 121.508 120.300 0.354 0.000 2.511 72 Y HA 0.389 4.944 4.550 0.008 0.000 0.332 72 Y C -1.026 175.036 175.900 0.270 0.000 1.177 72 Y CA 0.094 58.410 58.100 0.359 0.000 1.422 72 Y CB 0.982 39.775 38.460 0.555 0.000 1.271 72 Y HN 0.422 nan 8.280 nan 0.000 0.550 73 V N 7.053 126.621 119.914 -0.578 0.000 2.370 73 V HA 0.095 4.220 4.120 0.008 0.000 0.283 73 V C -0.179 175.537 176.094 -0.629 0.000 1.023 73 V CA -1.120 60.940 62.300 -0.400 0.000 0.857 73 V CB 1.374 33.052 31.823 -0.241 0.000 0.985 73 V HN 0.816 nan 8.190 nan 0.000 0.443 74 D N 3.585 123.896 120.400 -0.149 0.000 2.417 74 D HA 0.073 4.718 4.640 0.008 0.000 0.250 74 D C 0.642 176.974 176.300 0.054 0.000 1.166 74 D CA 0.299 54.354 54.000 0.091 0.000 0.881 74 D CB 1.607 42.625 40.800 0.363 0.000 1.164 74 D HN 0.745 nan 8.370 nan 0.000 0.467 75 T N 1.420 116.008 114.554 0.057 0.000 3.170 75 T HA 0.002 4.357 4.350 0.008 0.000 0.288 75 T C 1.670 176.378 174.700 0.013 0.000 0.992 75 T CA -0.455 61.664 62.100 0.032 0.000 0.909 75 T CB 0.164 69.022 68.868 -0.016 0.000 1.133 75 T HN 0.264 nan 8.240 nan 0.000 0.530 76 L N 1.069 122.297 121.223 0.009 0.000 2.021 76 L HA 0.035 4.380 4.340 0.008 0.000 0.215 76 L C -0.122 176.486 176.870 -0.438 0.000 1.074 76 L CA 1.764 56.444 54.840 -0.266 0.000 0.760 76 L CB -0.541 41.294 42.059 -0.374 0.000 0.889 76 L HN 0.445 nan 8.230 nan 0.000 0.433 77 Y N -0.445 119.875 120.300 0.032 0.000 2.748 77 Y HA 0.428 4.983 4.550 0.008 0.000 0.359 77 Y C -2.173 173.757 175.900 0.050 0.000 1.030 77 Y CA -3.243 54.845 58.100 -0.020 0.000 1.169 77 Y CB -0.190 38.193 38.460 -0.128 0.000 1.127 77 Y HN 0.057 nan 8.280 nan 0.000 0.644 78 P HA 0.033 nan 4.420 nan 0.000 0.258 78 P C 1.037 178.393 177.300 0.093 0.000 1.172 78 P CA 1.929 65.082 63.100 0.088 0.000 0.762 78 P CB 0.556 32.278 31.700 0.038 0.000 0.764 79 G N 2.841 111.687 108.800 0.078 0.000 2.225 79 G HA2 -0.293 3.672 3.960 0.008 0.000 0.254 79 G HA3 -0.293 3.672 3.960 0.008 0.000 0.254 79 G C 0.031 174.979 174.900 0.080 0.000 0.988 79 G CA -0.457 44.674 45.100 0.052 0.000 0.625 79 G HN 0.534 nan 8.290 nan 0.000 0.527 80 F N 2.423 122.328 119.950 -0.074 0.000 2.471 80 F HA 0.589 5.121 4.527 0.008 0.000 0.365 80 F C 1.391 177.093 175.800 -0.164 0.000 1.095 80 F CA -0.437 57.469 58.000 -0.157 0.000 1.174 80 F CB 1.287 40.162 39.000 -0.208 0.000 1.105 80 F HN 0.182 nan 8.300 nan 0.000 0.535 81 E N 4.023 123.853 120.200 -0.617 0.000 2.118 81 E HA -0.109 4.246 4.350 0.008 0.000 0.195 81 E C 2.259 178.382 176.600 -0.796 0.000 0.992 81 E CA 1.836 57.876 56.400 -0.600 0.000 0.804 81 E CB -0.467 28.944 29.700 -0.481 0.000 0.741 81 E HN 0.906 nan 8.360 nan 0.000 0.458 82 G N -0.805 106.963 108.800 -1.721 0.000 2.475 82 G HA2 -0.327 3.638 3.960 0.008 0.000 0.220 82 G HA3 -0.327 3.638 3.960 0.008 0.000 0.220 82 G C 1.682 176.567 174.900 -0.025 0.000 1.125 82 G CA 1.765 46.121 45.100 -1.240 0.000 0.755 82 G HN 0.499 nan 8.290 nan 0.000 0.565 83 T N -2.239 112.302 114.554 -0.020 0.000 3.034 83 T HA 0.157 4.512 4.350 0.008 0.000 0.248 83 T C 1.897 176.761 174.700 0.273 0.000 1.040 83 T CA 0.694 63.087 62.100 0.488 0.000 1.107 83 T CB 0.086 69.318 68.868 0.608 0.000 0.932 83 T HN 0.166 nan 8.240 nan 0.000 0.474 84 E N 2.558 122.777 120.200 0.032 0.000 2.110 84 E HA -0.125 4.230 4.350 0.008 0.000 0.193 84 E C 2.261 178.771 176.600 -0.150 0.000 0.988 84 E CA 1.474 57.849 56.400 -0.041 0.000 0.804 84 E CB -0.556 29.086 29.700 -0.097 0.000 0.745 84 E HN 0.782 nan 8.360 nan 0.000 0.458 85 M N -1.884 117.529 119.600 -0.312 0.000 2.435 85 M HA -0.103 4.382 4.480 0.008 0.000 0.262 85 M C 1.219 177.122 176.300 -0.662 0.000 1.065 85 M CA 1.532 56.492 55.300 -0.567 0.000 1.076 85 M CB -0.558 31.575 32.600 -0.779 0.000 1.403 85 M HN 0.016 nan 8.290 nan 0.000 0.454 86 W N 0.826 122.066 121.300 -0.099 0.000 3.177 86 W HA 0.304 4.968 4.660 0.008 0.000 0.309 86 W C 0.386 176.833 176.519 -0.120 0.000 1.224 86 W CA -0.968 56.301 57.345 -0.126 0.000 1.718 86 W CB -0.211 29.222 29.460 -0.044 0.000 1.078 86 W HN 0.093 nan 8.180 nan 0.000 0.618 87 N N 1.634 120.368 118.700 0.057 0.000 2.444 87 N HA 0.125 4.870 4.740 0.008 0.000 0.255 87 N C -2.352 173.105 175.510 -0.089 0.000 1.255 87 N CA -1.318 51.733 53.050 0.001 0.000 0.933 87 N CB -0.211 38.271 38.487 -0.008 0.000 1.143 87 N HN -0.325 nan 8.380 nan 0.000 0.453 88 P HA 0.050 nan 4.420 nan 0.000 0.266 88 P C 0.240 177.450 177.300 -0.149 0.000 1.195 88 P CA 0.094 63.104 63.100 -0.149 0.000 0.768 88 P CB 0.351 31.958 31.700 -0.156 0.000 0.838 89 N N 1.997 120.594 118.700 -0.171 0.000 2.235 89 N HA 0.112 4.857 4.740 0.008 0.000 0.231 89 N C 0.037 175.472 175.510 -0.125 0.000 1.177 89 N CA -0.072 52.886 53.050 -0.154 0.000 0.874 89 N CB 0.487 38.860 38.487 -0.190 0.000 1.097 89 N HN 0.165 nan 8.380 nan 0.000 0.518 90 R N 0.081 120.506 120.500 -0.125 0.000 2.781 90 R HA 0.255 4.600 4.340 0.008 0.000 0.269 90 R C -0.829 175.407 176.300 -0.108 0.000 1.025 90 R CA -0.626 55.416 56.100 -0.096 0.000 0.914 90 R CB 1.211 31.461 30.300 -0.083 0.000 1.236 90 R HN 0.272 nan 8.270 nan 0.000 0.465 91 E N 1.462 121.607 120.200 -0.093 0.000 2.442 91 E HA 0.011 4.367 4.350 0.008 0.000 0.262 91 E C -0.452 176.073 176.600 -0.126 0.000 1.004 91 E CA 0.036 56.377 56.400 -0.098 0.000 0.928 91 E CB 0.559 30.216 29.700 -0.071 0.000 0.937 91 E HN 0.263 nan 8.360 nan 0.000 0.446 92 L N 3.462 124.577 121.223 -0.180 0.000 2.331 92 L HA 0.253 4.598 4.340 0.008 0.000 0.278 92 L C 0.250 177.042 176.870 -0.129 0.000 1.106 92 L CA 0.016 54.679 54.840 -0.295 0.000 0.824 92 L CB 1.185 42.853 42.059 -0.652 0.000 1.142 92 L HN 0.447 nan 8.230 nan 0.000 0.443 93 S N 1.351 117.027 115.700 -0.040 0.000 2.552 93 S HA 0.195 4.670 4.470 0.008 0.000 0.272 93 S C 0.155 174.767 174.600 0.019 0.000 1.150 93 S CA -0.668 57.582 58.200 0.083 0.000 0.849 93 S CB 1.581 64.796 63.200 0.026 0.000 1.113 93 S HN 0.739 nan 8.310 nan 0.000 0.458 94 E N 0.845 121.018 120.200 -0.045 0.000 2.358 94 E HA -0.032 4.323 4.350 0.008 0.000 0.195 94 E C -0.373 176.177 176.600 -0.084 0.000 1.010 94 E CA 0.396 56.699 56.400 -0.162 0.000 0.856 94 E CB 0.126 29.692 29.700 -0.223 0.000 0.795 94 E HN 0.522 nan 8.360 nan 0.000 0.504 95 D N 0.459 120.846 120.400 -0.022 0.000 2.494 95 D HA 0.005 4.650 4.640 0.008 0.000 0.217 95 D C 0.066 176.452 176.300 0.143 0.000 1.153 95 D CA -0.372 53.642 54.000 0.024 0.000 0.954 95 D CB -0.030 40.804 40.800 0.056 0.000 1.034 95 D HN 0.129 nan 8.370 nan 0.000 0.518 96 c N 2.356 121.002 118.600 0.077 0.000 3.772 96 c HA 0.388 4.963 4.570 0.008 0.000 0.293 96 c C 0.620 174.777 174.090 0.111 0.000 1.659 96 c CA -0.687 55.758 56.329 0.194 0.000 1.810 96 c CB -1.263 41.292 42.510 0.076 0.000 3.059 96 c HN 0.428 nan 8.230 nan 0.000 0.617 97 L N 2.568 123.595 121.223 -0.327 0.000 2.395 97 L HA 0.394 4.739 4.340 0.008 0.000 0.268 97 L C -0.904 175.378 176.870 -0.979 0.000 1.223 97 L CA 0.593 55.035 54.840 -0.664 0.000 1.093 97 L CB -0.698 40.806 42.059 -0.924 0.000 1.349 97 L HN 0.393 nan 8.230 nan 0.000 0.427 98 Y N 2.201 122.497 120.300 -0.007 0.000 2.576 98 Y HA 0.659 5.214 4.550 0.008 0.000 0.346 98 Y C -0.102 176.004 175.900 0.343 0.000 1.018 98 Y CA -1.210 56.968 58.100 0.131 0.000 1.050 98 Y CB 2.031 40.509 38.460 0.030 0.000 1.280 98 Y HN 0.220 nan 8.280 nan 0.000 0.474 99 L N -0.357 121.050 121.223 0.307 0.000 2.303 99 L HA 0.778 5.123 4.340 0.008 0.000 0.256 99 L C -1.327 175.539 176.870 -0.007 0.000 1.034 99 L CA -1.197 53.695 54.840 0.087 0.000 0.832 99 L CB 1.722 43.637 42.059 -0.240 0.000 1.403 99 L HN 0.489 nan 8.230 nan 0.000 0.419 100 N N -0.157 118.537 118.700 -0.009 0.000 2.240 100 N HA 0.759 5.504 4.740 0.008 0.000 0.302 100 N C -1.533 173.869 175.510 -0.181 0.000 1.106 100 N CA -0.445 52.510 53.050 -0.158 0.000 0.778 100 N CB 2.901 41.273 38.487 -0.191 0.000 1.431 100 N HN 0.496 nan 8.380 nan 0.000 0.479 101 V N 1.219 120.950 119.914 -0.305 0.000 2.638 101 V HA 0.475 4.600 4.120 0.008 0.000 0.306 101 V C -0.938 175.089 176.094 -0.111 0.000 1.052 101 V CA -0.745 61.472 62.300 -0.138 0.000 0.885 101 V CB 2.381 33.987 31.823 -0.362 0.000 0.999 101 V HN 0.557 nan 8.190 nan 0.000 0.424 102 W N 2.895 124.281 121.300 0.143 0.000 2.702 102 W HA 0.713 5.378 4.660 0.009 0.000 0.331 102 W C 0.038 176.658 176.519 0.169 0.000 1.049 102 W CA -0.416 57.018 57.345 0.148 0.000 1.230 102 W CB 2.517 32.048 29.460 0.118 0.000 1.408 102 W HN 0.682 nan 8.180 nan 0.000 0.492 103 T N 0.149 114.948 114.554 0.408 0.000 2.843 103 T HA 0.503 4.858 4.350 0.008 0.000 0.302 103 T C -2.929 171.940 174.700 0.282 0.000 1.232 103 T CA -2.266 60.029 62.100 0.325 0.000 1.009 103 T CB 2.282 71.361 68.868 0.351 0.000 1.254 103 T HN -0.116 nan 8.240 nan 0.000 0.504 104 P HA 0.228 nan 4.420 nan 0.000 0.270 104 P C -1.568 175.875 177.300 0.238 0.000 1.227 104 P CA -0.118 63.099 63.100 0.194 0.000 0.788 104 P CB 0.110 31.895 31.700 0.141 0.000 0.926 105 Y N 2.596 122.949 120.300 0.088 0.000 2.326 105 Y HA 0.415 4.970 4.550 0.008 0.000 0.329 105 Y C -2.249 173.685 175.900 0.056 0.000 0.973 105 Y CA -2.449 55.696 58.100 0.075 0.000 1.162 105 Y CB 1.255 39.746 38.460 0.052 0.000 1.147 105 Y HN 0.326 nan 8.280 nan 0.000 0.456 106 P HA 0.230 nan 4.420 nan 0.000 0.274 106 P C -0.900 176.359 177.300 -0.068 0.000 1.246 106 P CA -0.441 62.469 63.100 -0.316 0.000 0.795 106 P CB 1.168 32.709 31.700 -0.265 0.000 1.006 107 R N 1.401 121.873 120.500 -0.047 0.000 2.583 107 R HA 0.083 4.428 4.340 0.008 0.000 0.274 107 R C -1.571 174.755 176.300 0.044 0.000 0.998 107 R CA -0.858 55.277 56.100 0.059 0.000 1.081 107 R CB -0.830 29.517 30.300 0.078 0.000 0.940 107 R HN 0.481 nan 8.270 nan 0.000 0.413 108 P HA -0.131 nan 4.420 nan 0.000 0.264 108 P C -0.079 177.241 177.300 0.032 0.000 1.179 108 P CA 0.362 63.495 63.100 0.055 0.000 0.763 108 P CB 0.665 32.408 31.700 0.071 0.000 0.806 109 A N 3.609 126.442 122.820 0.021 0.000 1.872 109 A HA -0.022 4.303 4.320 0.008 0.000 0.214 109 A C 1.141 178.731 177.584 0.009 0.000 1.187 109 A CA 1.473 53.516 52.037 0.010 0.000 0.614 109 A CB -0.815 18.189 19.000 0.007 0.000 0.826 109 A HN 0.712 nan 8.150 nan 0.000 0.442 110 S N -0.781 114.927 115.700 0.013 0.000 2.621 110 S HA 0.598 5.073 4.470 0.008 0.000 0.302 110 S C -3.060 171.550 174.600 0.017 0.000 1.093 110 S CA -1.886 56.319 58.200 0.009 0.000 1.017 110 S CB 0.924 64.127 63.200 0.004 0.000 1.077 110 S HN 0.029 nan 8.310 nan 0.000 0.517 111 P HA 0.128 nan 4.420 nan 0.000 0.256 111 P C -0.646 176.667 177.300 0.021 0.000 1.173 111 P CA 0.501 63.612 63.100 0.018 0.000 0.768 111 P CB -0.062 31.640 31.700 0.003 0.000 0.758 112 T N 5.987 120.565 114.554 0.041 0.000 2.829 112 T HA 0.376 4.731 4.350 0.008 0.000 0.282 112 T C -2.343 172.383 174.700 0.044 0.000 0.990 112 T CA -1.786 60.339 62.100 0.043 0.000 1.028 112 T CB 0.781 69.688 68.868 0.065 0.000 0.951 112 T HN 0.124 nan 8.240 nan 0.000 0.460 113 P HA 0.115 nan 4.420 nan 0.000 0.264 113 P C -0.874 176.462 177.300 0.060 0.000 1.183 113 P CA -0.150 62.963 63.100 0.022 0.000 0.763 113 P CB 0.398 32.093 31.700 -0.009 0.000 0.807 114 V N 5.382 125.348 119.914 0.086 0.000 2.427 114 V HA 0.294 4.419 4.120 0.008 0.000 0.286 114 V C 0.349 176.529 176.094 0.143 0.000 1.034 114 V CA -0.418 61.960 62.300 0.129 0.000 0.893 114 V CB 1.108 33.023 31.823 0.152 0.000 0.982 114 V HN 0.369 nan 8.190 nan 0.000 0.452 115 L N 5.890 127.216 121.223 0.171 0.000 2.313 115 L HA 0.597 4.942 4.340 0.008 0.000 0.283 115 L C -0.669 176.449 176.870 0.415 0.000 1.013 115 L CA -0.318 54.648 54.840 0.210 0.000 0.816 115 L CB 1.682 43.765 42.059 0.039 0.000 1.236 115 L HN 0.500 nan 8.230 nan 0.000 0.419 116 I N 3.169 124.018 120.570 0.465 0.000 2.355 116 I HA 0.228 4.403 4.170 0.008 0.000 0.288 116 I C -0.631 175.769 176.117 0.472 0.000 0.999 116 I CA -0.413 61.129 61.300 0.403 0.000 1.163 116 I CB 1.540 39.653 38.000 0.189 0.000 1.316 116 I HN 0.622 nan 8.210 nan 0.000 0.454 117 W N 8.536 129.930 121.300 0.158 0.000 2.351 117 W HA 0.574 5.238 4.660 0.007 0.000 0.311 117 W C -1.529 174.875 176.519 -0.192 0.000 1.168 117 W CA -0.616 56.578 57.345 -0.251 0.000 1.200 117 W CB 1.189 30.496 29.460 -0.256 0.000 1.221 117 W HN 0.339 nan 8.180 nan 0.000 0.519 118 I N 9.042 128.948 120.570 -1.107 0.000 2.411 118 I HA 0.069 4.244 4.170 0.008 0.000 0.284 118 I C -0.252 175.034 176.117 -1.385 0.000 1.012 118 I CA -1.117 59.603 61.300 -0.967 0.000 1.119 118 I CB 0.753 38.366 38.000 -0.646 0.000 1.261 118 I HN 0.307 nan 8.210 nan 0.000 0.448 119 Y N 4.676 124.462 120.300 -0.857 0.000 2.426 119 Y HA 0.659 5.214 4.550 0.008 0.000 0.344 119 Y C 0.728 176.437 175.900 -0.319 0.000 1.256 119 Y CA -0.773 56.948 58.100 -0.632 0.000 1.451 119 Y CB -0.043 38.259 38.460 -0.263 0.000 1.342 119 Y HN 0.513 nan 8.280 nan 0.000 0.600 120 G N -0.953 107.860 108.800 0.021 0.000 2.568 120 G HA2 0.503 4.468 3.960 0.008 0.000 0.293 120 G HA3 0.503 4.468 3.960 0.008 0.000 0.293 120 G C 0.195 175.038 174.900 -0.094 0.000 1.347 120 G CA -0.944 44.087 45.100 -0.116 0.000 1.039 120 G HN 1.717 nan 8.290 nan 0.000 0.523 121 G N -2.707 105.869 108.800 -0.374 0.000 2.223 121 G HA2 0.412 4.377 3.960 0.008 0.000 0.200 121 G HA3 0.412 4.377 3.960 0.008 0.000 0.200 121 G C 0.997 175.363 174.900 -0.890 0.000 1.061 121 G CA 0.680 45.445 45.100 -0.558 0.000 0.790 121 G HN 2.288 nan 8.290 nan 0.000 0.498 122 G N -0.372 107.876 108.800 -0.921 0.000 2.269 122 G HA2 -0.127 3.838 3.960 0.008 0.000 0.277 122 G HA3 -0.127 3.838 3.960 0.008 0.000 0.277 122 G C 0.918 175.479 174.900 -0.566 0.000 1.008 122 G CA 0.799 45.081 45.100 -1.364 0.000 0.774 122 G HN 1.764 nan 8.290 nan 0.000 0.511 123 F N -3.437 116.362 119.950 -0.251 0.000 2.871 123 F HA -0.302 4.230 4.527 0.008 0.000 0.326 123 F C 1.411 177.302 175.800 0.152 0.000 0.675 123 F CA 2.073 60.057 58.000 -0.026 0.000 1.188 123 F CB -2.090 36.759 39.000 -0.251 0.000 1.567 123 F HN 0.937 nan 8.300 nan 0.000 0.325 124 Y N -1.237 119.166 120.300 0.172 0.000 2.527 124 Y HA 0.667 5.222 4.550 0.008 0.000 0.247 124 Y C 0.516 176.556 175.900 0.234 0.000 1.138 124 Y CA 0.170 58.411 58.100 0.235 0.000 1.228 124 Y CB 0.006 38.563 38.460 0.162 0.000 1.252 124 Y HN 0.106 nan 8.280 nan 0.000 0.531 125 S N -0.831 114.656 115.700 -0.354 0.000 2.672 125 S HA 0.889 5.364 4.470 0.008 0.000 0.271 125 S C -0.221 174.230 174.600 -0.249 0.000 1.171 125 S CA -0.467 57.579 58.200 -0.257 0.000 0.817 125 S CB 1.489 64.478 63.200 -0.352 0.000 1.150 125 S HN 1.386 nan 8.310 nan 0.000 0.478 126 G N -0.662 107.949 108.800 -0.315 0.000 2.392 126 G HA2 0.571 4.536 3.960 0.008 0.000 0.677 126 G HA3 0.571 4.536 3.960 0.008 0.000 0.677 126 G C -0.739 173.500 174.900 -1.100 0.000 1.334 126 G CA -0.198 44.520 45.100 -0.635 0.000 0.961 126 G HN 2.271 nan 8.290 nan 0.000 0.616 127 A N -1.265 120.725 122.820 -1.385 0.000 2.594 127 A HA 0.972 5.297 4.320 0.008 0.000 0.296 127 A C 0.484 177.853 177.584 -0.358 0.000 1.056 127 A CA 0.635 52.167 52.037 -0.841 0.000 0.693 127 A CB 0.872 19.640 19.000 -0.386 0.000 1.278 127 A HN 2.582 nan 8.150 nan 0.000 0.408 128 A N 0.542 123.409 122.820 0.077 0.000 2.238 128 A HA 0.296 4.621 4.320 0.008 0.000 0.208 128 A C 1.590 179.231 177.584 0.096 0.000 1.177 128 A CA 1.617 53.870 52.037 0.359 0.000 0.804 128 A CB -0.539 18.749 19.000 0.479 0.000 0.823 128 A HN 1.793 nan 8.150 nan 0.000 0.482 129 S N -0.460 115.052 115.700 -0.313 0.000 2.575 129 S HA 0.330 4.805 4.470 0.008 0.000 0.215 129 S C 0.469 174.629 174.600 -0.733 0.000 0.966 129 S CA -0.466 57.077 58.200 -1.094 0.000 0.911 129 S CB -0.565 61.873 63.200 -1.271 0.000 0.780 129 S HN 0.386 nan 8.310 nan 0.000 0.514 130 L N 2.180 123.155 121.223 -0.413 0.000 2.483 130 L HA 0.166 4.511 4.340 0.008 0.000 0.276 130 L C 1.145 177.710 176.870 -0.509 0.000 1.213 130 L CA -0.480 54.061 54.840 -0.499 0.000 0.843 130 L CB 0.199 41.848 42.059 -0.684 0.000 1.107 130 L HN 0.061 nan 8.230 nan 0.000 0.487 131 D N 1.075 121.209 120.400 -0.443 0.000 2.182 131 D HA -0.139 4.506 4.640 0.008 0.000 0.201 131 D C 1.971 178.004 176.300 -0.446 0.000 0.986 131 D CA 1.271 55.069 54.000 -0.336 0.000 0.847 131 D CB -0.008 40.634 40.800 -0.264 0.000 0.942 131 D HN 0.529 nan 8.370 nan 0.000 0.467 132 V N -1.486 118.008 119.914 -0.699 0.000 3.141 132 V HA -0.138 3.987 4.120 0.008 0.000 0.265 132 V C 1.039 176.544 176.094 -0.981 0.000 1.126 132 V CA 0.981 62.826 62.300 -0.759 0.000 1.141 132 V CB -1.107 30.206 31.823 -0.849 0.000 0.743 132 V HN 0.059 nan 8.190 nan 0.000 0.492 133 Y N 0.049 119.802 120.300 -0.912 0.000 2.607 133 Y HA 0.447 5.002 4.550 0.008 0.000 0.266 133 Y C 0.849 176.147 175.900 -1.003 0.000 1.178 133 Y CA -1.961 55.223 58.100 -1.528 0.000 1.226 133 Y CB -0.684 37.259 38.460 -0.862 0.000 1.144 133 Y HN 0.226 nan 8.280 nan 0.000 0.528 134 D N 0.885 120.990 120.400 -0.492 0.000 2.412 134 D HA 0.020 4.665 4.640 0.008 0.000 0.257 134 D C 1.385 177.360 176.300 -0.541 0.000 1.217 134 D CA 0.549 54.326 54.000 -0.371 0.000 0.897 134 D CB 1.264 41.990 40.800 -0.124 0.000 1.132 134 D HN 0.480 nan 8.370 nan 0.000 0.493 135 G N 3.940 111.809 108.800 -1.552 0.000 2.920 135 G HA2 -0.161 3.804 3.960 0.008 0.000 0.208 135 G HA3 -0.161 3.804 3.960 0.008 0.000 0.208 135 G C 1.491 175.849 174.900 -0.903 0.000 1.159 135 G CA 0.253 44.634 45.100 -1.198 0.000 0.784 135 G HN 0.617 nan 8.290 nan 0.000 0.535 136 R N -0.615 119.316 120.500 -0.949 0.000 2.120 136 R HA -0.022 4.323 4.340 0.008 0.000 0.234 136 R C 1.678 177.715 176.300 -0.437 0.000 1.123 136 R CA 1.251 57.028 56.100 -0.539 0.000 0.975 136 R CB -0.648 29.339 30.300 -0.521 0.000 0.866 136 R HN 0.292 nan 8.270 nan 0.000 0.446 137 F N 1.495 121.366 119.950 -0.132 0.000 2.113 137 F HA 0.006 4.538 4.527 0.009 0.000 0.297 137 F C 2.305 178.054 175.800 -0.086 0.000 1.103 137 F CA 0.903 58.846 58.000 -0.095 0.000 1.248 137 F CB -0.631 38.301 39.000 -0.113 0.000 0.999 137 F HN -0.118 nan 8.300 nan 0.000 0.475 138 L N -0.226 121.032 121.223 0.057 0.000 2.046 138 L HA -0.209 4.136 4.340 0.008 0.000 0.208 138 L C 2.720 179.601 176.870 0.018 0.000 1.077 138 L CA 1.155 55.991 54.840 -0.007 0.000 0.747 138 L CB -0.959 41.048 42.059 -0.087 0.000 0.896 138 L HN 0.183 nan 8.230 nan 0.000 0.432 139 A N -0.888 121.947 122.820 0.026 0.000 1.858 139 A HA -0.261 4.064 4.320 0.008 0.000 0.216 139 A C 2.286 179.915 177.584 0.075 0.000 1.190 139 A CA 1.684 53.773 52.037 0.086 0.000 0.617 139 A CB -0.586 18.506 19.000 0.152 0.000 0.827 139 A HN 0.384 nan 8.150 nan 0.000 0.443 140 Q N -0.137 119.691 119.800 0.046 0.000 2.016 140 Q HA -0.098 4.247 4.340 0.008 0.000 0.200 140 Q C 2.222 178.254 176.000 0.053 0.000 0.978 140 Q CA 2.152 57.985 55.803 0.050 0.000 0.833 140 Q CB -0.396 28.354 28.738 0.020 0.000 0.895 140 Q HN 0.415 nan 8.270 nan 0.000 0.427 141 V N 1.147 121.093 119.914 0.053 0.000 2.488 141 V HA -0.106 4.019 4.120 0.008 0.000 0.246 141 V C 1.677 177.787 176.094 0.027 0.000 1.046 141 V CA 1.531 63.856 62.300 0.041 0.000 1.053 141 V CB -0.167 31.680 31.823 0.040 0.000 0.679 141 V HN 0.241 nan 8.190 nan 0.000 0.458 142 E N -0.234 119.981 120.200 0.025 0.000 2.498 142 E HA 0.214 4.569 4.350 0.008 0.000 0.203 142 E C 1.646 178.265 176.600 0.031 0.000 1.013 142 E CA 0.692 57.102 56.400 0.017 0.000 0.927 142 E CB 0.589 30.290 29.700 0.002 0.000 1.012 142 E HN 0.573 nan 8.360 nan 0.000 0.482 143 G N 1.939 110.767 108.800 0.048 0.000 2.225 143 G HA2 -0.311 3.654 3.960 0.008 0.000 0.267 143 G HA3 -0.311 3.654 3.960 0.008 0.000 0.267 143 G C 0.475 175.418 174.900 0.072 0.000 1.024 143 G CA 0.456 45.594 45.100 0.064 0.000 0.784 143 G HN 0.460 nan 8.290 nan 0.000 0.507 144 A N -0.956 121.906 122.820 0.070 0.000 2.322 144 A HA 0.743 5.068 4.320 0.008 0.000 0.269 144 A C 0.435 178.098 177.584 0.132 0.000 1.094 144 A CA -0.062 52.022 52.037 0.079 0.000 0.807 144 A CB 1.353 20.380 19.000 0.046 0.000 1.047 144 A HN 1.092 nan 8.150 nan 0.000 0.487 145 V N 2.755 122.756 119.914 0.145 0.000 2.364 145 V HA 0.362 4.487 4.120 0.008 0.000 0.272 145 V C -0.121 176.108 176.094 0.225 0.000 1.036 145 V CA -0.091 62.326 62.300 0.194 0.000 0.880 145 V CB 0.767 32.694 31.823 0.174 0.000 0.991 145 V HN 0.726 nan 8.190 nan 0.000 0.460 146 L N 6.208 127.619 121.223 0.314 0.000 2.346 146 L HA 0.780 5.125 4.340 0.008 0.000 0.276 146 L C -0.942 176.215 176.870 0.479 0.000 1.006 146 L CA -0.371 54.704 54.840 0.393 0.000 0.817 146 L CB 1.994 44.286 42.059 0.387 0.000 1.272 146 L HN 0.422 nan 8.230 nan 0.000 0.421 147 V N 2.804 122.979 119.914 0.434 0.000 2.656 147 V HA 0.679 4.804 4.120 0.008 0.000 0.307 147 V C -0.575 175.764 176.094 0.408 0.000 1.051 147 V CA -0.469 62.042 62.300 0.352 0.000 0.893 147 V CB 2.033 33.988 31.823 0.219 0.000 0.999 147 V HN 0.840 nan 8.190 nan 0.000 0.426 148 S N 5.181 121.116 115.700 0.391 0.000 2.547 148 S HA 0.872 5.347 4.470 0.008 0.000 0.281 148 S C -0.862 173.890 174.600 0.254 0.000 1.118 148 S CA -0.807 57.632 58.200 0.399 0.000 0.947 148 S CB 2.202 65.772 63.200 0.616 0.000 1.053 148 S HN 0.889 nan 8.310 nan 0.000 0.482 149 M N 1.484 121.191 119.600 0.179 0.000 2.602 149 M HA 0.653 5.138 4.480 0.008 0.000 0.312 149 M C -1.672 174.837 176.300 0.349 0.000 1.181 149 M CA -0.544 54.856 55.300 0.167 0.000 0.910 149 M CB 1.193 33.720 32.600 -0.122 0.000 1.723 149 M HN 0.546 nan 8.290 nan 0.000 0.459 150 N N 2.569 121.543 118.700 0.458 0.000 2.524 150 N HA 0.602 5.347 4.740 0.008 0.000 0.283 150 N C -1.444 174.342 175.510 0.459 0.000 1.142 150 N CA 0.122 53.462 53.050 0.483 0.000 0.984 150 N CB 0.629 39.333 38.487 0.361 0.000 1.155 150 N HN 0.719 nan 8.380 nan 0.000 0.467 151 Y N -1.952 118.513 120.300 0.275 0.000 2.534 151 Y HA 0.544 5.099 4.550 0.008 0.000 0.345 151 Y C -0.103 175.927 175.900 0.217 0.000 1.031 151 Y CA -1.316 56.900 58.100 0.194 0.000 1.022 151 Y CB 0.884 39.393 38.460 0.082 0.000 1.292 151 Y HN 0.204 nan 8.280 nan 0.000 0.459 152 R N 2.004 122.637 120.500 0.222 0.000 2.585 152 R HA 0.441 4.786 4.340 0.008 0.000 0.275 152 R C -0.234 176.214 176.300 0.247 0.000 1.018 152 R CA 0.024 56.212 56.100 0.148 0.000 1.072 152 R CB 0.615 30.968 30.300 0.089 0.000 0.953 152 R HN 0.714 nan 8.270 nan 0.000 0.419 153 V N -0.298 119.798 119.914 0.304 0.000 3.158 153 V HA 0.881 5.006 4.120 0.008 0.000 0.315 153 V C 0.781 177.209 176.094 0.557 0.000 1.148 153 V CA -0.167 62.437 62.300 0.507 0.000 1.042 153 V CB 1.206 33.233 31.823 0.339 0.000 1.101 153 V HN 0.977 nan 8.190 nan 0.000 0.448 154 G N 1.712 110.883 108.800 0.618 0.000 2.564 154 G HA2 -0.289 3.676 3.960 0.008 0.000 0.273 154 G HA3 -0.289 3.676 3.960 0.008 0.000 0.273 154 G C 1.009 176.080 174.900 0.285 0.000 1.242 154 G CA 1.504 46.894 45.100 0.483 0.000 0.951 154 G HN 2.314 nan 8.290 nan 0.000 0.564 155 T N -1.685 112.757 114.554 -0.187 0.000 2.708 155 T HA -0.066 4.289 4.350 0.008 0.000 0.266 155 T C 2.167 176.731 174.700 -0.227 0.000 1.037 155 T CA 2.580 64.314 62.100 -0.611 0.000 1.146 155 T CB -0.471 67.857 68.868 -0.900 0.000 0.865 155 T HN 0.627 nan 8.240 nan 0.000 0.435 156 F N 2.374 122.361 119.950 0.062 0.000 2.154 156 F HA 0.125 4.657 4.527 0.008 0.000 0.301 156 F C 2.732 178.509 175.800 -0.038 0.000 1.087 156 F CA 1.062 59.046 58.000 -0.027 0.000 1.274 156 F CB -0.980 37.989 39.000 -0.051 0.000 1.009 156 F HN 0.409 nan 8.300 nan 0.000 0.485 157 G N -2.472 106.389 108.800 0.101 0.000 2.833 157 G HA2 0.075 4.040 3.960 0.008 0.000 0.210 157 G HA3 0.075 4.040 3.960 0.008 0.000 0.210 157 G C 0.844 175.220 174.900 -0.874 0.000 1.139 157 G CA 0.125 45.024 45.100 -0.336 0.000 0.771 157 G HN 0.346 nan 8.290 nan 0.000 0.535 158 F N -0.496 119.550 119.950 0.160 0.000 2.856 158 F HA 0.430 4.962 4.527 0.009 0.000 0.338 158 F C 0.493 176.390 175.800 0.161 0.000 1.100 158 F CA -0.968 57.109 58.000 0.129 0.000 1.150 158 F CB 0.405 39.484 39.000 0.131 0.000 1.101 158 F HN -0.080 nan 8.300 nan 0.000 0.548 159 L N 2.083 123.388 121.223 0.137 0.000 2.455 159 L HA 0.579 4.925 4.340 0.008 0.000 0.272 159 L C -0.108 176.752 176.870 -0.017 0.000 1.174 159 L CA -0.003 54.834 54.840 -0.004 0.000 0.869 159 L CB 0.468 42.223 42.059 -0.507 0.000 1.130 159 L HN 0.110 nan 8.230 nan 0.000 0.474 160 A N 6.004 128.849 122.820 0.043 0.000 2.486 160 A HA 0.686 5.011 4.320 0.008 0.000 0.300 160 A C -1.170 176.397 177.584 -0.029 0.000 1.048 160 A CA -0.596 51.437 52.037 -0.007 0.000 0.696 160 A CB 1.443 20.470 19.000 0.045 0.000 1.278 160 A HN 0.718 nan 8.150 nan 0.000 0.405 161 L N 2.718 123.909 121.223 -0.054 0.000 2.445 161 L HA 0.316 4.661 4.340 0.008 0.000 0.252 161 L C -2.468 174.389 176.870 -0.021 0.000 1.105 161 L CA -1.756 53.057 54.840 -0.044 0.000 0.943 161 L CB 1.458 43.476 42.059 -0.070 0.000 1.277 161 L HN 0.406 nan 8.230 nan 0.000 0.465 162 P HA -0.016 nan 4.420 nan 0.000 0.259 162 P C 1.005 178.306 177.300 0.002 0.000 1.163 162 P CA 1.095 64.197 63.100 0.003 0.000 0.760 162 P CB 0.701 32.403 31.700 0.003 0.000 0.762 163 G N 1.989 110.794 108.800 0.008 0.000 2.284 163 G HA2 -0.257 3.708 3.960 0.008 0.000 0.230 163 G HA3 -0.257 3.708 3.960 0.008 0.000 0.230 163 G C 0.506 175.409 174.900 0.006 0.000 1.021 163 G CA 0.218 45.323 45.100 0.007 0.000 0.619 163 G HN 0.808 nan 8.290 nan 0.000 0.510 164 S N -0.025 115.675 115.700 0.001 0.000 2.596 164 S HA 0.559 5.034 4.470 0.008 0.000 0.260 164 S C 1.235 175.842 174.600 0.010 0.000 1.336 164 S CA 0.646 58.846 58.200 -0.000 0.000 0.993 164 S CB 1.757 64.949 63.200 -0.013 0.000 0.923 164 S HN 0.492 nan 8.310 nan 0.000 0.567 165 R N 0.003 120.512 120.500 0.013 0.000 2.175 165 R HA 0.081 4.426 4.340 0.008 0.000 0.202 165 R C 1.430 177.749 176.300 0.031 0.000 1.018 165 R CA 0.830 56.943 56.100 0.022 0.000 1.029 165 R CB -0.209 30.104 30.300 0.021 0.000 0.959 165 R HN 0.817 nan 8.270 nan 0.000 0.480 166 E N -0.314 119.904 120.200 0.030 0.000 2.299 166 E HA 0.077 4.432 4.350 0.008 0.000 0.193 166 E C 0.014 176.657 176.600 0.072 0.000 0.998 166 E CA 0.719 57.150 56.400 0.052 0.000 0.851 166 E CB 0.732 30.462 29.700 0.050 0.000 0.795 166 E HN 0.213 nan 8.360 nan 0.000 0.492 167 A N 1.100 123.936 122.820 0.026 0.000 3.409 167 A HA 0.263 4.588 4.320 0.008 0.000 0.282 167 A C -2.084 175.501 177.584 0.002 0.000 1.064 167 A CA -0.933 51.108 52.037 0.007 0.000 0.889 167 A CB 0.429 19.340 19.000 -0.150 0.000 1.251 167 A HN -0.073 nan 8.150 nan 0.000 0.538 168 P HA 0.084 nan 4.420 nan 0.000 0.226 168 P C 0.906 178.225 177.300 0.032 0.000 1.153 168 P CA 1.878 64.997 63.100 0.031 0.000 0.777 168 P CB 0.133 31.860 31.700 0.045 0.000 0.794 169 G N 0.645 109.462 108.800 0.029 0.000 2.699 169 G HA2 -0.165 3.800 3.960 0.008 0.000 0.686 169 G HA3 -0.165 3.800 3.960 0.008 0.000 0.686 169 G C -0.171 174.732 174.900 0.004 0.000 1.301 169 G CA -0.330 44.790 45.100 0.033 0.000 0.816 169 G HN 0.139 nan 8.290 nan 0.000 0.595 170 N N -2.286 116.411 118.700 -0.004 0.000 2.708 170 N HA -0.274 4.471 4.740 0.008 0.000 0.251 170 N C 1.834 177.213 175.510 -0.218 0.000 1.123 170 N CA 2.323 55.310 53.050 -0.104 0.000 0.739 170 N CB -1.657 36.716 38.487 -0.190 0.000 1.113 170 N HN 1.929 nan 8.380 nan 0.000 0.561 171 V N -2.985 116.789 119.914 -0.233 0.000 2.759 171 V HA 0.050 4.175 4.120 0.008 0.000 0.256 171 V C 2.239 178.211 176.094 -0.203 0.000 1.080 171 V CA 2.128 64.339 62.300 -0.149 0.000 1.101 171 V CB -0.693 31.087 31.823 -0.072 0.000 0.698 171 V HN 0.274 nan 8.190 nan 0.000 0.477 172 G N 0.390 108.874 108.800 -0.527 0.000 2.422 172 G HA2 -0.097 3.868 3.960 0.008 0.000 0.218 172 G HA3 -0.097 3.868 3.960 0.008 0.000 0.218 172 G C 1.526 176.407 174.900 -0.031 0.000 1.140 172 G CA 0.999 45.930 45.100 -0.282 0.000 0.775 172 G HN 0.528 nan 8.290 nan 0.000 0.545 173 L N -0.152 120.995 121.223 -0.126 0.000 2.156 173 L HA 0.102 4.447 4.340 0.008 0.000 0.208 173 L C 2.772 179.670 176.870 0.046 0.000 1.095 173 L CA 0.318 55.048 54.840 -0.183 0.000 0.770 173 L CB -0.225 41.392 42.059 -0.738 0.000 0.914 173 L HN 0.186 nan 8.230 nan 0.000 0.439 174 L N -0.635 120.628 121.223 0.066 0.000 2.156 174 L HA -0.181 4.164 4.340 0.008 0.000 0.208 174 L C 2.143 179.141 176.870 0.213 0.000 1.095 174 L CA 0.803 55.773 54.840 0.216 0.000 0.770 174 L CB -0.539 41.621 42.059 0.168 0.000 0.914 174 L HN 0.274 nan 8.230 nan 0.000 0.439 175 D N -0.072 120.440 120.400 0.187 0.000 2.117 175 D HA -0.198 4.447 4.640 0.008 0.000 0.197 175 D C 2.241 178.718 176.300 0.295 0.000 0.987 175 D CA 1.132 55.322 54.000 0.316 0.000 0.829 175 D CB -0.165 40.832 40.800 0.329 0.000 0.961 175 D HN 0.397 nan 8.370 nan 0.000 0.460 176 Q N 0.227 120.123 119.800 0.159 0.000 2.061 176 Q HA -0.139 4.206 4.340 0.008 0.000 0.204 176 Q C 2.301 178.299 176.000 -0.003 0.000 0.984 176 Q CA 1.107 56.920 55.803 0.017 0.000 0.846 176 Q CB -0.077 28.655 28.738 -0.009 0.000 0.902 176 Q HN 0.189 nan 8.270 nan 0.000 0.421 177 R N 0.522 121.123 120.500 0.169 0.000 2.096 177 R HA -0.183 4.162 4.340 0.008 0.000 0.235 177 R C 2.203 178.564 176.300 0.102 0.000 1.127 177 R CA 1.049 57.232 56.100 0.138 0.000 0.968 177 R CB -0.240 30.249 30.300 0.314 0.000 0.861 177 R HN 0.221 nan 8.270 nan 0.000 0.440 178 L N 0.770 122.090 121.223 0.163 0.000 2.046 178 L HA -0.071 4.274 4.340 0.008 0.000 0.208 178 L C 2.257 179.187 176.870 0.100 0.000 1.077 178 L CA 2.169 57.133 54.840 0.207 0.000 0.747 178 L CB -0.725 41.553 42.059 0.365 0.000 0.896 178 L HN 0.261 nan 8.230 nan 0.000 0.432 179 A N -0.749 121.942 122.820 -0.215 0.000 1.969 179 A HA -0.125 4.200 4.320 0.008 0.000 0.218 179 A C 2.220 179.747 177.584 -0.093 0.000 1.169 179 A CA 1.708 53.436 52.037 -0.514 0.000 0.635 179 A CB -0.761 17.663 19.000 -0.959 0.000 0.810 179 A HN 0.507 nan 8.150 nan 0.000 0.445 180 L N -0.906 120.277 121.223 -0.067 0.000 2.093 180 L HA -0.229 4.116 4.340 0.008 0.000 0.208 180 L C 2.790 179.710 176.870 0.083 0.000 1.085 180 L CA 1.413 56.252 54.840 -0.002 0.000 0.755 180 L CB -0.752 41.264 42.059 -0.071 0.000 0.904 180 L HN 0.515 nan 8.230 nan 0.000 0.435 181 Q N -1.007 118.855 119.800 0.102 0.000 2.079 181 Q HA -0.244 4.101 4.340 0.008 0.000 0.200 181 Q C 2.052 178.144 176.000 0.154 0.000 0.974 181 Q CA 1.779 57.651 55.803 0.115 0.000 0.840 181 Q CB -0.284 28.527 28.738 0.121 0.000 0.898 181 Q HN 0.554 nan 8.270 nan 0.000 0.430 182 W N 0.819 122.131 121.300 0.021 0.000 2.342 182 W HA -0.204 4.461 4.660 0.008 0.000 0.297 182 W C 1.795 178.341 176.519 0.045 0.000 1.213 182 W CA 1.181 58.556 57.345 0.049 0.000 1.251 182 W CB 0.050 29.537 29.460 0.046 0.000 1.136 182 W HN -0.157 nan 8.180 nan 0.000 0.526 183 V N 0.689 120.816 119.914 0.355 0.000 2.307 183 V HA -0.307 3.818 4.120 0.008 0.000 0.245 183 V C 2.546 178.657 176.094 0.029 0.000 1.045 183 V CA 1.911 64.344 62.300 0.223 0.000 1.024 183 V CB -0.945 31.023 31.823 0.241 0.000 0.651 183 V HN 0.150 nan 8.190 nan 0.000 0.449 184 Q N -0.112 119.715 119.800 0.045 0.000 2.112 184 Q HA -0.281 4.064 4.340 0.008 0.000 0.206 184 Q C 2.237 178.208 176.000 -0.049 0.000 0.987 184 Q CA 2.266 58.080 55.803 0.019 0.000 0.858 184 Q CB -0.263 28.494 28.738 0.031 0.000 0.905 184 Q HN 0.808 nan 8.270 nan 0.000 0.420 185 E N -0.345 119.785 120.200 -0.116 0.000 2.122 185 E HA -0.069 4.286 4.350 0.008 0.000 0.190 185 E C 1.194 177.632 176.600 -0.269 0.000 0.977 185 E CA 0.676 56.971 56.400 -0.174 0.000 0.820 185 E CB 0.288 29.883 29.700 -0.176 0.000 0.770 185 E HN 0.301 nan 8.360 nan 0.000 0.462 186 N N 0.088 118.506 118.700 -0.470 0.000 2.294 186 N HA -0.010 4.735 4.740 0.008 0.000 0.186 186 N C 1.518 176.905 175.510 -0.205 0.000 1.107 186 N CA 0.061 52.807 53.050 -0.506 0.000 0.884 186 N CB 0.364 38.182 38.487 -1.114 0.000 1.030 186 N HN 0.143 nan 8.380 nan 0.000 0.482 187 I N 2.351 122.860 120.570 -0.103 0.000 2.454 187 I HA -0.149 4.026 4.170 0.008 0.000 0.254 187 I C 2.144 178.368 176.117 0.178 0.000 1.156 187 I CA 0.511 61.899 61.300 0.147 0.000 1.433 187 I CB -0.229 37.844 38.000 0.121 0.000 1.082 187 I HN 0.053 nan 8.210 nan 0.000 0.432 188 A N 0.188 123.037 122.820 0.047 0.000 1.972 188 A HA -0.098 4.227 4.320 0.008 0.000 0.219 188 A C 2.474 180.050 177.584 -0.014 0.000 1.169 188 A CA 1.477 53.526 52.037 0.020 0.000 0.635 188 A CB -1.050 17.936 19.000 -0.023 0.000 0.810 188 A HN 0.464 nan 8.150 nan 0.000 0.446 189 A N -1.520 121.248 122.820 -0.086 0.000 2.070 189 A HA 0.051 4.376 4.320 0.008 0.000 0.220 189 A C 1.486 178.832 177.584 -0.396 0.000 1.159 189 A CA 1.246 53.114 52.037 -0.282 0.000 0.656 189 A CB -0.630 18.093 19.000 -0.461 0.000 0.800 189 A HN 0.509 nan 8.150 nan 0.000 0.453 190 F N -1.621 118.281 119.950 -0.080 0.000 2.678 190 F HA 0.401 4.933 4.527 0.009 0.000 0.305 190 F C 1.714 177.522 175.800 0.013 0.000 1.090 190 F CA 0.451 58.421 58.000 -0.050 0.000 1.272 190 F CB 0.393 39.378 39.000 -0.024 0.000 1.060 190 F HN 0.307 nan 8.300 nan 0.000 0.576 191 G N 0.296 109.182 108.800 0.143 0.000 2.157 191 G HA2 -0.158 3.807 3.960 0.008 0.000 0.239 191 G HA3 -0.158 3.807 3.960 0.008 0.000 0.239 191 G C 0.568 175.536 174.900 0.114 0.000 0.982 191 G CA -0.309 44.853 45.100 0.103 0.000 0.650 191 G HN 0.708 nan 8.290 nan 0.000 0.527 192 G N -0.440 108.448 108.800 0.146 0.000 2.420 192 G HA2 0.487 4.452 3.960 0.008 0.000 0.284 192 G HA3 0.487 4.452 3.960 0.008 0.000 0.284 192 G C -0.759 174.189 174.900 0.081 0.000 1.177 192 G CA 0.221 45.395 45.100 0.124 0.000 0.841 192 G HN 0.211 nan 8.290 nan 0.000 0.527 193 D N 1.784 122.221 120.400 0.062 0.000 2.396 193 D HA 0.262 4.907 4.640 0.008 0.000 0.225 193 D C -1.047 175.281 176.300 0.046 0.000 1.121 193 D CA -2.389 51.630 54.000 0.032 0.000 0.853 193 D CB 1.909 42.710 40.800 0.002 0.000 1.043 193 D HN 0.073 nan 8.370 nan 0.000 0.500 194 P HA -0.099 nan 4.420 nan 0.000 0.225 194 P C 1.164 178.543 177.300 0.132 0.000 1.148 194 P CA 0.701 63.855 63.100 0.090 0.000 0.779 194 P CB 0.188 31.922 31.700 0.058 0.000 0.780 195 M N -1.204 118.401 119.600 0.009 0.000 2.561 195 M HA 0.083 4.568 4.480 0.008 0.000 0.238 195 M C 0.668 176.621 176.300 -0.578 0.000 1.131 195 M CA 0.496 55.696 55.300 -0.167 0.000 1.046 195 M CB 0.106 32.624 32.600 -0.137 0.000 1.532 195 M HN -0.164 nan 8.290 nan 0.000 0.497 196 S N 0.997 116.552 115.700 -0.242 0.000 2.312 196 S HA 0.415 4.890 4.470 0.008 0.000 0.173 196 S C -1.020 173.640 174.600 0.098 0.000 1.488 196 S CA -0.509 57.575 58.200 -0.193 0.000 1.239 196 S CB 0.503 63.622 63.200 -0.135 0.000 1.215 196 S HN 0.004 nan 8.310 nan 0.000 0.438 197 V N 4.122 124.275 119.914 0.398 0.000 2.378 197 V HA 0.513 4.638 4.120 0.008 0.000 0.288 197 V C 0.053 176.339 176.094 0.320 0.000 1.016 197 V CA -0.448 62.051 62.300 0.332 0.000 0.840 197 V CB 1.710 33.726 31.823 0.322 0.000 0.994 197 V HN 0.721 nan 8.190 nan 0.000 0.431 198 T N 6.731 121.416 114.554 0.219 0.000 2.771 198 T HA 0.617 4.972 4.350 0.008 0.000 0.281 198 T C -0.235 174.605 174.700 0.235 0.000 0.982 198 T CA -0.319 61.909 62.100 0.214 0.000 0.978 198 T CB 0.911 69.856 68.868 0.127 0.000 0.930 198 T HN 0.342 nan 8.240 nan 0.000 0.447 199 L N 4.966 126.297 121.223 0.181 0.000 2.289 199 L HA 0.691 5.036 4.340 0.008 0.000 0.285 199 L C -0.515 176.555 176.870 0.332 0.000 1.049 199 L CA -0.952 53.969 54.840 0.135 0.000 0.804 199 L CB 0.478 42.401 42.059 -0.226 0.000 1.195 199 L HN 0.623 nan 8.230 nan 0.000 0.428 200 F N 0.695 120.718 119.950 0.123 0.000 2.588 200 F HA 0.982 5.514 4.527 0.008 0.000 0.310 200 F C -0.223 175.582 175.800 0.008 0.000 1.082 200 F CA -1.439 56.688 58.000 0.212 0.000 0.929 200 F CB 1.638 40.917 39.000 0.464 0.000 1.254 200 F HN 0.455 nan 8.300 nan 0.000 0.455 201 G N 1.097 109.800 108.800 -0.162 0.000 2.623 201 G HA2 0.505 4.470 3.960 0.008 0.000 0.290 201 G HA3 0.505 4.470 3.960 0.008 0.000 0.290 201 G C -2.498 172.186 174.900 -0.360 0.000 1.437 201 G CA -0.800 43.761 45.100 -0.899 0.000 0.798 201 G HN 0.865 nan 8.290 nan 0.000 0.488 202 E N 0.161 120.102 120.200 -0.431 0.000 2.266 202 E HA 0.622 4.977 4.350 0.008 0.000 0.268 202 E C 0.577 177.105 176.600 -0.120 0.000 0.879 202 E CA 0.214 56.586 56.400 -0.046 0.000 0.762 202 E CB 2.209 32.035 29.700 0.210 0.000 1.199 202 E HN 0.805 nan 8.360 nan 0.000 0.422 203 S N 2.535 118.224 115.700 -0.017 0.000 4.139 203 S HA -0.391 4.084 4.470 0.008 0.000 0.603 203 S C 1.445 176.108 174.600 0.105 0.000 1.897 203 S CA 2.088 60.344 58.200 0.093 0.000 4.241 203 S CB -1.604 61.577 63.200 -0.033 0.000 0.221 203 S HN 0.961 nan 8.310 nan 0.000 0.488 204 A N 1.018 123.747 122.820 -0.152 0.000 2.019 204 A HA 0.174 4.499 4.320 0.008 0.000 0.219 204 A C 2.402 179.706 177.584 -0.467 0.000 1.164 204 A CA 2.353 54.090 52.037 -0.501 0.000 0.644 204 A CB -1.462 16.777 19.000 -1.267 0.000 0.805 204 A HN 1.506 nan 8.150 nan 0.000 0.449 205 G N -0.576 108.007 108.800 -0.360 0.000 2.408 205 G HA2 0.054 4.019 3.960 0.008 0.000 0.217 205 G HA3 0.054 4.019 3.960 0.008 0.000 0.217 205 G C 1.711 176.426 174.900 -0.309 0.000 1.150 205 G CA 1.220 46.063 45.100 -0.429 0.000 0.776 205 G HN 0.735 nan 8.290 nan 0.000 0.542 206 A N 1.251 123.962 122.820 -0.181 0.000 1.898 206 A HA 0.296 4.621 4.320 0.008 0.000 0.216 206 A C 2.817 180.373 177.584 -0.047 0.000 1.181 206 A CA 2.185 54.180 52.037 -0.069 0.000 0.620 206 A CB -0.813 18.207 19.000 0.034 0.000 0.819 206 A HN 0.741 nan 8.150 nan 0.000 0.442 207 A N -0.454 122.360 122.820 -0.010 0.000 1.902 207 A HA -0.084 4.241 4.320 0.008 0.000 0.217 207 A C 2.446 180.024 177.584 -0.010 0.000 1.181 207 A CA 2.121 54.144 52.037 -0.022 0.000 0.623 207 A CB -0.915 18.097 19.000 0.020 0.000 0.818 207 A HN 0.455 nan 8.150 nan 0.000 0.443 208 S N -0.419 115.276 115.700 -0.009 0.000 2.359 208 S HA -0.158 4.317 4.470 0.008 0.000 0.224 208 S C 1.907 176.451 174.600 -0.094 0.000 1.035 208 S CA 1.477 59.634 58.200 -0.072 0.000 1.018 208 S CB -0.611 62.489 63.200 -0.166 0.000 0.876 208 S HN 0.342 nan 8.310 nan 0.000 0.448 209 V N 1.688 121.558 119.914 -0.074 0.000 2.324 209 V HA -0.209 3.916 4.120 0.008 0.000 0.250 209 V C 2.599 178.674 176.094 -0.032 0.000 1.060 209 V CA 2.057 64.326 62.300 -0.052 0.000 1.042 209 V CB -1.474 30.296 31.823 -0.089 0.000 0.650 209 V HN 0.617 nan 8.190 nan 0.000 0.450 210 G N -1.248 107.528 108.800 -0.041 0.000 2.432 210 G HA2 -0.263 3.702 3.960 0.008 0.000 0.219 210 G HA3 -0.263 3.702 3.960 0.008 0.000 0.219 210 G C 1.596 176.496 174.900 -0.001 0.000 1.135 210 G CA 0.944 46.025 45.100 -0.032 0.000 0.767 210 G HN 0.458 nan 8.290 nan 0.000 0.550 211 M N -0.527 119.051 119.600 -0.036 0.000 2.319 211 M HA 0.064 4.549 4.480 0.008 0.000 0.265 211 M C 2.149 178.503 176.300 0.089 0.000 1.068 211 M CA 0.872 56.178 55.300 0.011 0.000 1.118 211 M CB -0.075 32.482 32.600 -0.071 0.000 1.395 211 M HN 0.321 nan 8.290 nan 0.000 0.435 212 H N -0.289 118.886 119.070 0.175 0.000 2.428 212 H HA 0.025 4.585 4.556 0.008 0.000 0.296 212 H C 1.929 177.448 175.328 0.319 0.000 1.062 212 H CA 1.233 57.408 56.048 0.212 0.000 1.350 212 H CB 0.113 29.878 29.762 0.006 0.000 1.403 212 H HN 0.289 nan 8.280 nan 0.000 0.533 213 I N 0.383 121.184 120.570 0.385 0.000 2.361 213 I HA -0.216 3.960 4.170 0.008 0.000 0.251 213 I C 1.158 177.445 176.117 0.284 0.000 1.133 213 I CA 1.177 62.725 61.300 0.414 0.000 1.413 213 I CB 0.015 38.151 38.000 0.227 0.000 1.073 213 I HN 0.279 nan 8.210 nan 0.000 0.424 214 L N -0.876 120.470 121.223 0.204 0.000 2.607 214 L HA 0.121 4.466 4.340 0.008 0.000 0.228 214 L C 0.863 177.789 176.870 0.094 0.000 1.123 214 L CA 0.046 54.989 54.840 0.172 0.000 0.890 214 L CB 0.071 42.211 42.059 0.134 0.000 1.103 214 L HN -0.005 nan 8.230 nan 0.000 0.468 215 S N -0.084 115.645 115.700 0.049 0.000 2.594 215 S HA 0.243 4.718 4.470 0.008 0.000 0.322 215 S C 0.729 175.263 174.600 -0.110 0.000 1.085 215 S CA -0.600 57.509 58.200 -0.151 0.000 1.116 215 S CB 1.182 64.028 63.200 -0.589 0.000 0.979 215 S HN 0.142 nan 8.310 nan 0.000 0.465 216 L N 7.311 128.479 121.223 -0.092 0.000 2.034 216 L HA -0.012 4.333 4.340 0.008 0.000 0.217 216 L C -1.045 175.782 176.870 -0.072 0.000 1.077 216 L CA 2.395 57.195 54.840 -0.067 0.000 0.769 216 L CB -1.100 40.919 42.059 -0.066 0.000 0.890 216 L HN 0.505 nan 8.230 nan 0.000 0.435 217 P HA -0.091 nan 4.420 nan 0.000 0.221 217 P C 1.560 178.848 177.300 -0.021 0.000 1.145 217 P CA 1.404 64.459 63.100 -0.074 0.000 0.795 217 P CB 0.026 31.663 31.700 -0.104 0.000 0.775 218 S N -1.159 114.552 115.700 0.017 0.000 2.478 218 S HA 0.027 4.502 4.470 0.008 0.000 0.222 218 S C 1.774 176.482 174.600 0.180 0.000 1.008 218 S CA 0.294 58.602 58.200 0.181 0.000 0.928 218 S CB -0.325 63.127 63.200 0.420 0.000 0.781 218 S HN 0.058 nan 8.310 nan 0.000 0.518 219 R N 2.194 122.708 120.500 0.024 0.000 2.127 219 R HA -0.030 4.315 4.340 0.008 0.000 0.238 219 R C 2.201 178.291 176.300 -0.351 0.000 1.134 219 R CA 1.467 57.426 56.100 -0.235 0.000 0.975 219 R CB -1.289 28.919 30.300 -0.153 0.000 0.865 219 R HN 0.579 nan 8.270 nan 0.000 0.447 220 S N -0.210 115.384 115.700 -0.177 0.000 2.603 220 S HA 0.098 4.573 4.470 0.008 0.000 0.220 220 S C 1.700 176.208 174.600 -0.153 0.000 0.967 220 S CA 0.121 58.222 58.200 -0.165 0.000 0.920 220 S CB -0.121 63.031 63.200 -0.080 0.000 0.773 220 S HN 0.209 nan 8.310 nan 0.000 0.529 221 L N 0.391 121.557 121.223 -0.095 0.000 2.640 221 L HA 0.474 4.819 4.340 0.008 0.000 0.230 221 L C 0.072 176.972 176.870 0.049 0.000 1.123 221 L CA -0.293 54.555 54.840 0.013 0.000 0.900 221 L CB -0.130 41.986 42.059 0.096 0.000 1.146 221 L HN 0.500 nan 8.230 nan 0.000 0.484 222 F N -4.088 115.671 119.950 -0.318 0.000 2.741 222 F HA 0.464 4.995 4.527 0.007 0.000 0.313 222 F C 0.229 175.667 175.800 -0.603 0.000 1.153 222 F CA -1.089 56.689 58.000 -0.369 0.000 0.931 222 F CB 0.878 39.813 39.000 -0.108 0.000 1.335 222 F HN -0.139 nan 8.300 nan 0.000 0.460 223 H N -1.120 118.020 119.070 0.116 0.000 2.927 223 H HA 0.516 5.077 4.556 0.008 0.000 0.255 223 H C -0.161 175.216 175.328 0.081 0.000 0.974 223 H CA -0.147 55.888 56.048 -0.022 0.000 1.199 223 H CB 0.588 30.335 29.762 -0.024 0.000 1.447 223 H HN 0.388 nan 8.280 nan 0.000 0.467 224 R N 0.116 120.824 120.500 0.346 0.000 2.836 224 R HA 0.822 5.167 4.340 0.008 0.000 0.269 224 R C -1.447 175.108 176.300 0.425 0.000 1.010 224 R CA -0.910 55.360 56.100 0.284 0.000 0.930 224 R CB 2.609 32.887 30.300 -0.035 0.000 1.218 224 R HN 0.172 nan 8.270 nan 0.000 0.473 225 A N 0.955 124.040 122.820 0.442 0.000 2.549 225 A HA 0.656 4.981 4.320 0.008 0.000 0.297 225 A C -1.509 176.221 177.584 0.242 0.000 1.061 225 A CA -0.594 51.627 52.037 0.306 0.000 0.690 225 A CB 1.925 21.056 19.000 0.219 0.000 1.287 225 A HN 0.309 nan 8.150 nan 0.000 0.402 226 V N 2.086 122.104 119.914 0.175 0.000 2.483 226 V HA 0.501 4.626 4.120 0.008 0.000 0.297 226 V C -1.154 175.036 176.094 0.160 0.000 1.027 226 V CA -0.299 62.052 62.300 0.085 0.000 0.855 226 V CB 1.269 33.171 31.823 0.132 0.000 0.995 226 V HN 0.683 nan 8.190 nan 0.000 0.424 227 L N 5.208 126.494 121.223 0.106 0.000 2.318 227 L HA 0.509 4.854 4.340 0.008 0.000 0.277 227 L C 0.069 177.043 176.870 0.173 0.000 1.008 227 L CA 0.055 54.954 54.840 0.099 0.000 0.846 227 L CB 1.487 43.557 42.059 0.017 0.000 1.220 227 L HN 0.618 nan 8.230 nan 0.000 0.423 228 Q N 2.074 122.026 119.800 0.254 0.000 2.360 228 Q HA 0.397 4.742 4.340 0.008 0.000 0.254 228 Q C 0.195 176.314 176.000 0.198 0.000 0.975 228 Q CA -0.474 55.529 55.803 0.334 0.000 0.912 228 Q CB 1.133 30.149 28.738 0.465 0.000 1.212 228 Q HN 0.640 nan 8.270 nan 0.000 0.452 229 S N 1.025 116.828 115.700 0.172 0.000 3.631 229 S HA -0.174 4.301 4.470 0.008 0.000 0.366 229 S C 0.068 174.840 174.600 0.287 0.000 0.993 229 S CA 0.506 58.828 58.200 0.204 0.000 1.167 229 S CB -1.247 62.065 63.200 0.187 0.000 0.909 229 S HN 0.980 nan 8.310 nan 0.000 0.478 230 G N -0.429 108.498 108.800 0.212 0.000 2.616 230 G HA2 0.681 4.646 3.960 0.008 0.000 0.294 230 G HA3 0.681 4.646 3.960 0.008 0.000 0.294 230 G C -0.895 174.054 174.900 0.082 0.000 1.489 230 G CA 0.168 45.441 45.100 0.288 0.000 0.836 230 G HN 0.978 nan 8.290 nan 0.000 0.527 231 T N -1.476 113.055 114.554 -0.039 0.000 2.853 231 T HA 0.744 5.099 4.350 0.008 0.000 0.311 231 T C -2.452 172.085 174.700 -0.272 0.000 1.307 231 T CA -1.262 60.747 62.100 -0.151 0.000 1.019 231 T CB 3.024 71.792 68.868 -0.168 0.000 1.264 231 T HN 0.296 nan 8.240 nan 0.000 0.497 232 P HA 0.041 nan 4.420 nan 0.000 0.224 232 P C 0.164 177.299 177.300 -0.275 0.000 1.157 232 P CA 0.449 63.417 63.100 -0.220 0.000 0.799 232 P CB 0.033 31.659 31.700 -0.124 0.000 0.809 233 N N 0.684 119.236 118.700 -0.248 0.000 2.379 233 N HA 0.348 5.093 4.740 0.008 0.000 0.260 233 N C 0.666 175.960 175.510 -0.359 0.000 1.254 233 N CA 0.356 53.262 53.050 -0.240 0.000 0.958 233 N CB 0.394 38.783 38.487 -0.162 0.000 1.208 233 N HN 0.156 nan 8.380 nan 0.000 0.532 234 G N -0.942 107.662 108.800 -0.327 0.000 2.497 234 G HA2 -0.099 3.866 3.960 0.008 0.000 0.686 234 G HA3 -0.099 3.866 3.960 0.008 0.000 0.686 234 G C -2.180 172.463 174.900 -0.428 0.000 1.288 234 G CA -0.257 44.589 45.100 -0.422 0.000 0.899 234 G HN 0.550 nan 8.290 nan 0.000 0.608 235 P HA 0.078 nan 4.420 nan 0.000 0.233 235 P C 1.267 178.487 177.300 -0.132 0.000 1.167 235 P CA 1.990 64.932 63.100 -0.263 0.000 0.770 235 P CB -0.038 31.471 31.700 -0.319 0.000 0.837 236 W N -1.959 119.234 121.300 -0.178 0.000 2.835 236 W HA 0.532 5.196 4.660 0.007 0.000 0.278 236 W C 1.222 177.804 176.519 0.105 0.000 1.075 236 W CA 0.434 57.753 57.345 -0.044 0.000 1.439 236 W CB -0.769 28.698 29.460 0.011 0.000 0.927 236 W HN -0.168 nan 8.180 nan 0.000 0.604 237 A N 2.098 124.575 122.820 -0.571 0.000 2.067 237 A HA 0.074 4.399 4.320 0.008 0.000 0.219 237 A C 1.185 178.642 177.584 -0.213 0.000 1.158 237 A CA 2.044 53.854 52.037 -0.379 0.000 0.661 237 A CB -0.873 17.652 19.000 -0.790 0.000 0.801 237 A HN 0.292 nan 8.150 nan 0.000 0.452 238 T N -3.686 110.745 114.554 -0.206 0.000 2.864 238 T HA 0.611 4.966 4.350 0.008 0.000 0.299 238 T C -0.681 173.944 174.700 -0.124 0.000 1.166 238 T CA -0.133 61.855 62.100 -0.187 0.000 1.007 238 T CB 1.479 70.241 68.868 -0.177 0.000 1.219 238 T HN 0.891 nan 8.240 nan 0.000 0.506 239 V N -1.169 118.680 119.914 -0.109 0.000 3.040 239 V HA 0.911 5.036 4.120 0.008 0.000 0.312 239 V C 0.321 176.375 176.094 -0.067 0.000 1.115 239 V CA -0.830 61.421 62.300 -0.082 0.000 0.998 239 V CB 1.322 33.095 31.823 -0.083 0.000 1.042 239 V HN 1.391 nan 8.190 nan 0.000 0.433 240 S N 1.676 117.344 115.700 -0.054 0.000 2.600 240 S HA 0.595 5.070 4.470 0.008 0.000 0.265 240 S C 1.386 175.967 174.600 -0.032 0.000 1.325 240 S CA 0.117 58.293 58.200 -0.040 0.000 1.002 240 S CB 1.254 64.433 63.200 -0.036 0.000 0.921 240 S HN 1.937 nan 8.310 nan 0.000 0.554 241 A N 2.006 124.813 122.820 -0.021 0.000 1.902 241 A HA 0.119 4.444 4.320 0.008 0.000 0.217 241 A C 2.206 179.781 177.584 -0.016 0.000 1.181 241 A CA 1.735 53.764 52.037 -0.013 0.000 0.623 241 A CB -1.837 17.159 19.000 -0.007 0.000 0.818 241 A HN 1.163 nan 8.150 nan 0.000 0.443 242 G N -0.462 108.327 108.800 -0.019 0.000 2.418 242 G HA2 -0.242 3.723 3.960 0.008 0.000 0.217 242 G HA3 -0.242 3.723 3.960 0.008 0.000 0.217 242 G C 1.472 176.357 174.900 -0.025 0.000 1.158 242 G CA 1.375 46.463 45.100 -0.019 0.000 0.771 242 G HN 0.568 nan 8.290 nan 0.000 0.545 243 E N 1.071 121.251 120.200 -0.033 0.000 2.106 243 E HA 0.066 4.421 4.350 0.008 0.000 0.192 243 E C 2.643 179.211 176.600 -0.054 0.000 0.984 243 E CA 1.415 57.787 56.400 -0.046 0.000 0.806 243 E CB -0.574 29.093 29.700 -0.055 0.000 0.750 243 E HN 0.274 nan 8.360 nan 0.000 0.458 244 A N 0.886 123.681 122.820 -0.041 0.000 1.902 244 A HA -0.172 4.153 4.320 0.008 0.000 0.217 244 A C 2.296 179.883 177.584 0.004 0.000 1.181 244 A CA 1.753 53.776 52.037 -0.023 0.000 0.623 244 A CB -0.622 18.380 19.000 0.004 0.000 0.818 244 A HN 0.285 nan 8.150 nan 0.000 0.443 245 R N -0.511 119.986 120.500 -0.005 0.000 2.073 245 R HA -0.144 4.201 4.340 0.008 0.000 0.234 245 R C 2.452 178.750 176.300 -0.004 0.000 1.134 245 R CA 1.632 57.729 56.100 -0.005 0.000 0.952 245 R CB -0.371 29.922 30.300 -0.011 0.000 0.850 245 R HN 0.495 nan 8.270 nan 0.000 0.433 246 R N 0.521 121.014 120.500 -0.013 0.000 2.094 246 R HA -0.173 4.172 4.340 0.008 0.000 0.239 246 R C 2.287 178.583 176.300 -0.007 0.000 1.137 246 R CA 2.138 58.229 56.100 -0.014 0.000 0.943 246 R CB -0.181 30.105 30.300 -0.024 0.000 0.850 246 R HN 0.309 nan 8.270 nan 0.000 0.433 247 R N -0.388 120.095 120.500 -0.027 0.000 2.096 247 R HA -0.083 4.262 4.340 0.008 0.000 0.235 247 R C 2.329 178.706 176.300 0.128 0.000 1.127 247 R CA 1.339 57.418 56.100 -0.035 0.000 0.968 247 R CB -0.303 29.844 30.300 -0.254 0.000 0.861 247 R HN 0.274 nan 8.270 nan 0.000 0.440 248 A N 0.533 123.449 122.820 0.160 0.000 1.898 248 A HA -0.169 4.156 4.320 0.008 0.000 0.216 248 A C 2.282 179.888 177.584 0.037 0.000 1.181 248 A CA 1.968 54.097 52.037 0.154 0.000 0.620 248 A CB -0.836 18.194 19.000 0.049 0.000 0.819 248 A HN 0.436 nan 8.150 nan 0.000 0.442 249 T N -1.546 113.016 114.554 0.014 0.000 2.904 249 T HA -0.087 4.268 4.350 0.008 0.000 0.267 249 T C 1.780 176.484 174.700 0.006 0.000 1.059 249 T CA 1.482 63.578 62.100 -0.008 0.000 1.137 249 T CB -0.370 68.489 68.868 -0.015 0.000 0.879 249 T HN 0.228 nan 8.240 nan 0.000 0.467 250 L N 0.724 121.964 121.223 0.027 0.000 2.056 250 L HA 0.239 4.584 4.340 0.008 0.000 0.207 250 L C 2.284 179.183 176.870 0.049 0.000 1.078 250 L CA 1.653 56.513 54.840 0.034 0.000 0.749 250 L CB -1.148 40.935 42.059 0.041 0.000 0.901 250 L HN 0.415 nan 8.230 nan 0.000 0.433 251 L N -0.212 121.065 121.223 0.090 0.000 2.046 251 L HA -0.106 4.239 4.340 0.008 0.000 0.208 251 L C 2.511 179.382 176.870 0.001 0.000 1.077 251 L CA 1.931 56.827 54.840 0.093 0.000 0.747 251 L CB -0.757 41.397 42.059 0.159 0.000 0.896 251 L HN 0.285 nan 8.230 nan 0.000 0.432 252 A N -0.222 122.584 122.820 -0.023 0.000 1.883 252 A HA -0.241 4.084 4.320 0.008 0.000 0.217 252 A C 2.411 179.967 177.584 -0.045 0.000 1.186 252 A CA 1.916 53.924 52.037 -0.049 0.000 0.624 252 A CB -0.636 18.329 19.000 -0.057 0.000 0.822 252 A HN 0.497 nan 8.150 nan 0.000 0.444 253 R N -0.644 119.837 120.500 -0.033 0.000 2.080 253 R HA -0.114 4.231 4.340 0.008 0.000 0.236 253 R C 2.102 178.363 176.300 -0.066 0.000 1.137 253 R CA 1.624 57.703 56.100 -0.036 0.000 0.943 253 R CB -0.751 29.538 30.300 -0.019 0.000 0.846 253 R HN 0.558 nan 8.270 nan 0.000 0.431 254 L N 0.972 122.145 121.223 -0.083 0.000 2.189 254 L HA -0.135 4.210 4.340 0.008 0.000 0.214 254 L C 2.014 178.671 176.870 -0.354 0.000 1.097 254 L CA 0.927 55.651 54.840 -0.193 0.000 0.764 254 L CB -0.335 41.627 42.059 -0.162 0.000 0.900 254 L HN 0.159 nan 8.230 nan 0.000 0.436 255 V N -4.031 115.745 119.914 -0.230 0.000 3.376 255 V HA 0.530 4.655 4.120 0.008 0.000 0.313 255 V C 1.146 177.197 176.094 -0.073 0.000 1.393 255 V CA 0.207 62.404 62.300 -0.172 0.000 1.125 255 V CB -0.178 31.597 31.823 -0.081 0.000 1.037 255 V HN 0.429 nan 8.190 nan 0.000 0.440 256 G N -0.453 108.308 108.800 -0.065 0.000 2.132 256 G HA2 -0.229 3.736 3.960 0.008 0.000 0.234 256 G HA3 -0.229 3.736 3.960 0.008 0.000 0.234 256 G C 0.056 174.943 174.900 -0.022 0.000 0.989 256 G CA -0.040 45.040 45.100 -0.033 0.000 0.676 256 G HN 0.677 nan 8.290 nan 0.000 0.522 257 c N 1.010 119.593 118.600 -0.028 0.000 2.341 257 c HA 0.783 5.359 4.570 0.008 0.000 0.338 257 c C -0.865 173.212 174.090 -0.022 0.000 1.257 257 c CA -0.626 55.690 56.329 -0.022 0.000 1.883 257 c CB 0.895 43.390 42.510 -0.026 0.000 2.334 257 c HN 0.618 nan 8.230 nan 0.000 0.524 266 D N 1.595 121.984 120.400 -0.017 0.000 2.117 266 D HA -0.099 4.546 4.640 0.008 0.000 0.197 266 D C 1.464 177.749 176.300 -0.024 0.000 0.987 266 D CA 1.791 55.776 54.000 -0.027 0.000 0.829 266 D CB 0.025 40.809 40.800 -0.027 0.000 0.961 266 D HN 0.595 nan 8.370 nan 0.000 0.460 267 T N 1.304 115.851 114.554 -0.011 0.000 2.665 267 T HA -0.186 4.169 4.350 0.008 0.000 0.268 267 T C 1.819 176.518 174.700 -0.001 0.000 1.035 267 T CA 1.480 63.579 62.100 -0.002 0.000 1.151 267 T CB -0.284 68.587 68.868 0.004 0.000 0.862 267 T HN 0.332 nan 8.240 nan 0.000 0.438 268 E N 0.623 120.820 120.200 -0.004 0.000 2.077 268 E HA -0.051 4.304 4.350 0.008 0.000 0.193 268 E C 2.249 178.844 176.600 -0.008 0.000 0.989 268 E CA 0.760 57.159 56.400 -0.002 0.000 0.800 268 E CB -0.300 29.398 29.700 -0.004 0.000 0.746 268 E HN 0.368 nan 8.360 nan 0.000 0.452 269 L N 0.998 122.208 121.223 -0.021 0.000 1.989 269 L HA -0.215 4.130 4.340 0.008 0.000 0.211 269 L C 2.299 179.142 176.870 -0.045 0.000 1.071 269 L CA 1.412 56.230 54.840 -0.036 0.000 0.749 269 L CB -0.139 41.891 42.059 -0.050 0.000 0.890 269 L HN 0.128 nan 8.230 nan 0.000 0.431 270 I N -0.002 120.536 120.570 -0.055 0.000 2.226 270 I HA -0.287 3.888 4.170 0.008 0.000 0.245 270 I C 2.785 178.931 176.117 0.049 0.000 1.100 270 I CA 1.121 62.390 61.300 -0.052 0.000 1.374 270 I CB -0.629 37.342 38.000 -0.048 0.000 1.057 270 I HN 0.358 nan 8.210 nan 0.000 0.413 271 A N -0.189 122.654 122.820 0.039 0.000 1.908 271 A HA -0.310 4.015 4.320 0.008 0.000 0.218 271 A C 2.541 180.156 177.584 0.052 0.000 1.181 271 A CA 2.079 54.147 52.037 0.051 0.000 0.627 271 A CB -1.366 17.652 19.000 0.030 0.000 0.818 271 A HN 0.644 nan 8.150 nan 0.000 0.445 272 c N -0.695 117.924 118.600 0.032 0.000 2.440 272 c HA 0.047 4.622 4.570 0.008 0.000 0.278 272 c C 2.589 176.706 174.090 0.046 0.000 1.295 272 c CA 0.973 57.319 56.329 0.027 0.000 1.738 272 c CB -1.582 40.932 42.510 0.008 0.000 1.987 272 c HN 0.585 nan 8.230 nan 0.000 0.492 273 L N 0.488 121.746 121.223 0.058 0.000 2.042 273 L HA -0.132 4.213 4.340 0.008 0.000 0.210 273 L C 2.971 179.963 176.870 0.203 0.000 1.076 273 L CA 1.633 56.542 54.840 0.114 0.000 0.749 273 L CB -0.648 41.453 42.059 0.069 0.000 0.893 273 L HN 0.342 nan 8.230 nan 0.000 0.432 274 R N -0.563 120.070 120.500 0.222 0.000 2.241 274 R HA -0.123 4.222 4.340 0.008 0.000 0.224 274 R C 2.072 178.403 176.300 0.052 0.000 1.101 274 R CA 1.647 57.822 56.100 0.125 0.000 0.995 274 R CB -0.434 29.928 30.300 0.103 0.000 0.870 274 R HN 0.527 nan 8.270 nan 0.000 0.463 275 T N -1.841 112.744 114.554 0.053 0.000 3.100 275 T HA 0.119 4.474 4.350 0.008 0.000 0.253 275 T C 0.860 175.576 174.700 0.028 0.000 1.118 275 T CA -0.177 61.941 62.100 0.030 0.000 1.058 275 T CB 0.194 69.078 68.868 0.027 0.000 0.953 275 T HN -0.132 nan 8.240 nan 0.000 0.515 276 R N 2.569 123.092 120.500 0.039 0.000 2.441 276 R HA 0.425 4.770 4.340 0.008 0.000 0.284 276 R C -2.730 173.585 176.300 0.025 0.000 1.070 276 R CA -2.659 53.463 56.100 0.037 0.000 1.047 276 R CB -0.177 30.152 30.300 0.048 0.000 1.016 276 R HN 0.229 nan 8.270 nan 0.000 0.477 277 P HA 0.004 nan 4.420 nan 0.000 0.266 277 P C 0.249 177.534 177.300 -0.026 0.000 1.195 277 P CA 0.210 63.304 63.100 -0.009 0.000 0.768 277 P CB 0.598 32.306 31.700 0.013 0.000 0.838 278 A N 2.821 125.554 122.820 -0.145 0.000 1.940 278 A HA -0.273 4.052 4.320 0.008 0.000 0.219 278 A C 2.122 179.638 177.584 -0.112 0.000 1.176 278 A CA 1.872 53.792 52.037 -0.195 0.000 0.631 278 A CB -1.166 17.248 19.000 -0.977 0.000 0.814 278 A HN 0.544 nan 8.150 nan 0.000 0.446 279 Q N -0.042 119.682 119.800 -0.128 0.000 2.224 279 Q HA -0.136 4.209 4.340 0.008 0.000 0.203 279 Q C 1.112 177.215 176.000 0.171 0.000 0.970 279 Q CA 1.811 57.706 55.803 0.153 0.000 0.865 279 Q CB -0.332 28.525 28.738 0.198 0.000 0.922 279 Q HN 0.634 nan 8.270 nan 0.000 0.445 280 D N -0.669 119.810 120.400 0.132 0.000 2.144 280 D HA -0.097 4.548 4.640 0.008 0.000 0.200 280 D C 1.605 178.045 176.300 0.233 0.000 0.978 280 D CA 0.892 55.004 54.000 0.187 0.000 0.833 280 D CB -0.029 40.867 40.800 0.160 0.000 0.961 280 D HN 0.299 nan 8.370 nan 0.000 0.470 281 L N -0.032 121.278 121.223 0.146 0.000 2.027 281 L HA -0.114 4.231 4.340 0.008 0.000 0.206 281 L C 2.433 179.376 176.870 0.121 0.000 1.074 281 L CA 0.587 55.469 54.840 0.070 0.000 0.745 281 L CB -0.517 41.450 42.059 -0.153 0.000 0.898 281 L HN -0.043 nan 8.230 nan 0.000 0.433 282 V N -0.029 120.020 119.914 0.226 0.000 2.332 282 V HA -0.297 3.828 4.120 0.008 0.000 0.248 282 V C 2.011 178.252 176.094 0.244 0.000 1.055 282 V CA 1.902 64.391 62.300 0.315 0.000 1.038 282 V CB -0.593 31.530 31.823 0.500 0.000 0.651 282 V HN 0.431 nan 8.190 nan 0.000 0.450 283 D N -1.104 119.394 120.400 0.162 0.000 2.265 283 D HA -0.128 4.517 4.640 0.008 0.000 0.208 283 D C 1.796 177.920 176.300 -0.292 0.000 0.977 283 D CA 1.195 55.186 54.000 -0.016 0.000 0.871 283 D CB -0.178 40.568 40.800 -0.090 0.000 0.925 283 D HN 0.571 nan 8.370 nan 0.000 0.485 284 H N -0.866 118.259 119.070 0.092 0.000 2.893 284 H HA 0.129 4.690 4.556 0.008 0.000 0.270 284 H C 1.543 176.848 175.328 -0.039 0.000 1.095 284 H CA -0.059 56.019 56.048 0.049 0.000 1.186 284 H CB 0.733 30.609 29.762 0.191 0.000 1.562 284 H HN 0.268 nan 8.280 nan 0.000 0.536 285 E N 1.045 121.270 120.200 0.042 0.000 2.086 285 E HA -0.220 4.135 4.350 0.008 0.000 0.200 285 E C 0.902 177.371 176.600 -0.218 0.000 1.012 285 E CA 1.635 58.022 56.400 -0.022 0.000 0.812 285 E CB -0.016 29.591 29.700 -0.155 0.000 0.743 285 E HN 0.410 nan 8.360 nan 0.000 0.453 286 W N -0.512 120.683 121.300 -0.174 0.000 2.937 286 W HA 0.043 4.707 4.660 0.008 0.000 0.245 286 W C 1.368 177.838 176.519 -0.083 0.000 1.306 286 W CA 0.507 57.738 57.345 -0.189 0.000 1.470 286 W CB -0.016 29.274 29.460 -0.284 0.000 1.132 286 W HN 0.263 nan 8.180 nan 0.000 0.675 287 H N -0.563 118.639 119.070 0.220 0.000 2.543 287 H HA 0.038 4.599 4.556 0.008 0.000 0.269 287 H C 1.783 177.174 175.328 0.106 0.000 1.005 287 H CA 0.610 56.759 56.048 0.169 0.000 1.146 287 H CB 0.140 30.022 29.762 0.200 0.000 1.353 287 H HN 0.136 nan 8.280 nan 0.000 0.595 288 V N -2.071 117.927 119.914 0.140 0.000 3.578 288 V HA 0.207 4.332 4.120 0.008 0.000 0.290 288 V C 0.447 176.526 176.094 -0.025 0.000 1.376 288 V CA -0.255 62.073 62.300 0.047 0.000 1.083 288 V CB -0.295 31.532 31.823 0.006 0.000 0.911 288 V HN 0.118 nan 8.190 nan 0.000 0.433 289 L N 2.687 123.907 121.223 -0.006 0.000 2.453 289 L HA 0.236 4.581 4.340 0.008 0.000 0.272 289 L C -0.237 176.634 176.870 0.001 0.000 1.182 289 L CA -0.929 53.898 54.840 -0.022 0.000 0.858 289 L CB 0.630 42.703 42.059 0.024 0.000 1.120 289 L HN 0.149 nan 8.230 nan 0.000 0.474 290 P HA -0.109 nan 4.420 nan 0.000 0.220 290 P C -0.141 177.162 177.300 0.005 0.000 1.148 290 P CA 1.194 64.290 63.100 -0.008 0.000 0.803 290 P CB 0.460 32.148 31.700 -0.021 0.000 0.782 291 Q N -1.405 118.400 119.800 0.009 0.000 2.553 291 Q HA 0.354 4.699 4.340 0.008 0.000 0.293 291 Q C -0.693 175.322 176.000 0.024 0.000 1.038 291 Q CA -0.777 55.034 55.803 0.014 0.000 0.777 291 Q CB 1.210 29.953 28.738 0.008 0.000 1.487 291 Q HN -0.047 nan 8.270 nan 0.000 0.426 292 E N 0.875 121.090 120.200 0.025 0.000 2.344 292 E HA 0.413 4.768 4.350 0.008 0.000 0.270 292 E C -0.980 175.634 176.600 0.022 0.000 1.021 292 E CA 0.097 56.515 56.400 0.030 0.000 0.887 292 E CB 0.389 30.105 29.700 0.027 0.000 0.997 292 E HN 0.605 nan 8.360 nan 0.000 0.429 293 S N 3.719 119.434 115.700 0.025 0.000 2.636 293 S HA 0.608 5.083 4.470 0.008 0.000 0.268 293 S C -0.560 174.051 174.600 0.017 0.000 1.159 293 S CA -1.001 57.207 58.200 0.015 0.000 0.815 293 S CB 0.542 63.742 63.200 -0.001 0.000 1.130 293 S HN 0.576 nan 8.310 nan 0.000 0.471 294 I N -3.249 117.329 120.570 0.013 0.000 3.042 294 I HA 0.806 4.981 4.170 0.008 0.000 0.310 294 I C -0.318 175.780 176.117 -0.032 0.000 1.117 294 I CA -1.179 60.141 61.300 0.034 0.000 1.003 294 I CB 1.359 39.428 38.000 0.114 0.000 1.228 294 I HN 0.782 nan 8.210 nan 0.000 0.443 295 F N 1.579 121.335 119.950 -0.323 0.000 3.091 295 F HA -0.179 4.354 4.527 0.009 0.000 0.288 295 F C -0.353 174.856 175.800 -0.985 0.000 0.907 295 F CA 0.628 58.162 58.000 -0.777 0.000 1.028 295 F CB -0.636 37.832 39.000 -0.887 0.000 1.022 295 F HN 0.593 nan 8.300 nan 0.000 0.665 296 R N 0.467 120.473 120.500 -0.823 0.000 2.621 296 R HA 0.621 4.966 4.340 0.008 0.000 0.284 296 R C -1.061 174.769 176.300 -0.783 0.000 0.998 296 R CA -0.572 55.127 56.100 -0.667 0.000 0.895 296 R CB 1.262 31.434 30.300 -0.213 0.000 1.195 296 R HN -0.005 nan 8.270 nan 0.000 0.450 297 F N -0.516 119.520 119.950 0.144 0.000 2.540 297 F HA 0.364 4.896 4.527 0.008 0.000 0.317 297 F C 1.600 177.307 175.800 -0.154 0.000 1.104 297 F CA -0.824 57.185 58.000 0.015 0.000 0.913 297 F CB 1.822 40.948 39.000 0.210 0.000 1.170 297 F HN 0.354 nan 8.300 nan 0.000 0.450 298 S N 1.044 116.589 115.700 -0.258 0.000 2.359 298 S HA -0.114 4.362 4.470 0.008 0.000 0.222 298 S C 0.146 174.282 174.600 -0.773 0.000 1.038 298 S CA 1.445 59.320 58.200 -0.542 0.000 1.051 298 S CB -0.267 62.537 63.200 -0.660 0.000 0.944 298 S HN 0.370 nan 8.310 nan 0.000 0.433 299 F N 1.330 121.284 119.950 0.006 0.000 2.366 299 F HA 0.525 5.057 4.527 0.009 0.000 0.366 299 F C 0.072 175.895 175.800 0.038 0.000 1.096 299 F CA -0.898 57.147 58.000 0.074 0.000 1.060 299 F CB 1.117 40.196 39.000 0.131 0.000 1.282 299 F HN -0.072 nan 8.300 nan 0.000 0.450 300 V N 0.723 120.600 119.914 -0.062 0.000 3.156 300 V HA 0.759 4.884 4.120 0.008 0.000 0.311 300 V C -2.887 172.852 176.094 -0.592 0.000 1.208 300 V CA -3.404 58.547 62.300 -0.583 0.000 1.063 300 V CB 1.907 33.572 31.823 -0.262 0.000 1.098 300 V HN 0.237 nan 8.190 nan 0.000 0.452 301 P HA 0.165 nan 4.420 nan 0.000 0.264 301 P C -0.741 176.430 177.300 -0.215 0.000 1.183 301 P CA 0.517 63.344 63.100 -0.454 0.000 0.763 301 P CB 0.633 31.975 31.700 -0.597 0.000 0.807 302 V N 5.288 125.153 119.914 -0.082 0.000 2.547 302 V HA 0.225 4.350 4.120 0.008 0.000 0.299 302 V C -0.255 175.821 176.094 -0.031 0.000 1.040 302 V CA -0.816 61.456 62.300 -0.048 0.000 0.913 302 V CB 1.951 33.774 31.823 0.001 0.000 0.992 302 V HN 0.127 nan 8.190 nan 0.000 0.449 303 V N 7.540 127.436 119.914 -0.031 0.000 2.341 303 V HA 0.152 4.277 4.120 0.008 0.000 0.248 303 V C 0.887 176.986 176.094 0.009 0.000 1.107 303 V CA 0.352 62.647 62.300 -0.008 0.000 1.069 303 V CB 0.047 31.858 31.823 -0.021 0.000 1.177 303 V HN 1.064 nan 8.190 nan 0.000 0.492 304 D N 2.703 123.124 120.400 0.034 0.000 2.354 304 D HA 0.098 4.743 4.640 0.008 0.000 0.209 304 D C 1.575 177.899 176.300 0.040 0.000 1.015 304 D CA 0.749 54.773 54.000 0.040 0.000 0.867 304 D CB 0.313 41.151 40.800 0.063 0.000 0.933 304 D HN 0.673 nan 8.370 nan 0.000 0.520 305 G N 0.609 109.434 108.800 0.041 0.000 2.148 305 G HA2 -0.323 3.642 3.960 0.008 0.000 0.254 305 G HA3 -0.323 3.642 3.960 0.008 0.000 0.254 305 G C 0.397 175.319 174.900 0.037 0.000 0.981 305 G CA 0.756 45.874 45.100 0.030 0.000 0.670 305 G HN 0.558 nan 8.290 nan 0.000 0.528 306 D N -1.537 118.901 120.400 0.063 0.000 3.028 306 D HA 0.236 4.881 4.640 0.008 0.000 0.205 306 D C 1.749 178.098 176.300 0.081 0.000 1.489 306 D CA 0.372 54.410 54.000 0.064 0.000 1.452 306 D CB -0.655 40.194 40.800 0.081 0.000 1.052 306 D HN 0.085 nan 8.370 nan 0.000 0.221 307 F N 1.232 121.189 119.950 0.011 0.000 2.091 307 F HA 0.123 4.655 4.527 0.008 0.000 0.299 307 F C 0.624 176.424 175.800 -0.000 0.000 1.103 307 F CA 1.259 59.266 58.000 0.011 0.000 1.228 307 F CB 0.094 39.098 39.000 0.007 0.000 0.984 307 F HN 0.003 nan 8.300 nan 0.000 0.477 308 L N 0.786 122.180 121.223 0.284 0.000 2.295 308 L HA 0.187 4.532 4.340 0.008 0.000 0.281 308 L C 1.340 178.256 176.870 0.077 0.000 1.018 308 L CA -0.185 54.755 54.840 0.166 0.000 0.841 308 L CB 1.372 43.513 42.059 0.136 0.000 1.218 308 L HN 0.069 nan 8.230 nan 0.000 0.424 309 S N 0.399 116.124 115.700 0.041 0.000 2.481 309 S HA -0.009 4.466 4.470 0.008 0.000 0.231 309 S C 0.424 175.033 174.600 0.016 0.000 0.996 309 S CA 0.439 58.652 58.200 0.020 0.000 0.942 309 S CB 0.101 63.302 63.200 0.002 0.000 0.768 309 S HN 0.715 nan 8.310 nan 0.000 0.520 310 D N 0.044 120.456 120.400 0.019 0.000 2.713 310 D HA 0.272 4.917 4.640 0.008 0.000 0.306 310 D C -0.849 175.453 176.300 0.005 0.000 1.299 310 D CA 0.045 54.050 54.000 0.008 0.000 0.823 310 D CB 1.236 42.039 40.800 0.004 0.000 1.353 310 D HN 0.194 nan 8.370 nan 0.000 0.447 311 T N -0.930 113.619 114.554 -0.009 0.000 2.903 311 T HA 0.251 4.607 4.350 0.008 0.000 0.314 311 T C -1.816 172.872 174.700 -0.019 0.000 1.078 311 T CA -0.595 61.491 62.100 -0.024 0.000 1.114 311 T CB 1.009 69.856 68.868 -0.035 0.000 0.987 311 T HN 0.107 nan 8.240 nan 0.000 0.548 312 P HA -0.075 nan 4.420 nan 0.000 0.218 312 P C 1.592 178.878 177.300 -0.022 0.000 1.148 312 P CA 0.808 63.888 63.100 -0.033 0.000 0.822 312 P CB 0.098 31.748 31.700 -0.083 0.000 0.784 313 E N -0.520 119.657 120.200 -0.039 0.000 2.077 313 E HA -0.194 4.161 4.350 0.008 0.000 0.193 313 E C 1.931 178.532 176.600 0.001 0.000 0.989 313 E CA 1.356 57.740 56.400 -0.028 0.000 0.800 313 E CB -0.377 29.298 29.700 -0.042 0.000 0.746 313 E HN 0.077 nan 8.360 nan 0.000 0.452 314 A N 1.224 124.045 122.820 0.000 0.000 1.877 314 A HA -0.159 4.166 4.320 0.008 0.000 0.216 314 A C 2.269 179.872 177.584 0.031 0.000 1.186 314 A CA 1.121 53.164 52.037 0.009 0.000 0.620 314 A CB -0.754 18.247 19.000 0.001 0.000 0.822 314 A HN 0.230 nan 8.150 nan 0.000 0.443 315 L N -0.008 121.240 121.223 0.043 0.000 2.079 315 L HA -0.178 4.167 4.340 0.008 0.000 0.210 315 L C 2.541 179.513 176.870 0.170 0.000 1.081 315 L CA 1.693 56.582 54.840 0.081 0.000 0.752 315 L CB -0.752 41.360 42.059 0.088 0.000 0.896 315 L HN 0.695 nan 8.230 nan 0.000 0.433 316 I N -3.336 117.332 120.570 0.165 0.000 2.928 316 I HA -0.062 4.113 4.170 0.008 0.000 0.266 316 I C 1.786 178.038 176.117 0.224 0.000 1.234 316 I CA 0.948 62.405 61.300 0.262 0.000 1.483 316 I CB -0.320 37.736 38.000 0.093 0.000 1.097 316 I HN 0.167 nan 8.210 nan 0.000 0.455 317 N N 1.455 120.224 118.700 0.115 0.000 2.376 317 N HA -0.064 4.681 4.740 0.008 0.000 0.177 317 N C 1.839 177.380 175.510 0.051 0.000 1.024 317 N CA 1.895 54.992 53.050 0.078 0.000 0.893 317 N CB -0.069 38.442 38.487 0.041 0.000 0.980 317 N HN 0.632 nan 8.380 nan 0.000 0.439 318 T N -3.220 111.351 114.554 0.028 0.000 3.054 318 T HA 0.298 4.653 4.350 0.008 0.000 0.255 318 T C 0.927 175.558 174.700 -0.115 0.000 1.035 318 T CA -0.459 61.624 62.100 -0.028 0.000 0.941 318 T CB 0.092 68.944 68.868 -0.027 0.000 1.026 318 T HN 0.014 nan 8.240 nan 0.000 0.533 319 G N 0.928 109.625 108.800 -0.171 0.000 2.503 319 G HA2 0.425 4.390 3.960 0.008 0.000 0.257 319 G HA3 0.425 4.390 3.960 0.008 0.000 0.257 319 G C -1.141 173.229 174.900 -0.882 0.000 1.214 319 G CA -0.490 44.255 45.100 -0.593 0.000 0.839 319 G HN 0.366 nan 8.290 nan 0.000 0.559 320 D N 0.113 120.004 120.400 -0.847 0.000 2.392 320 D HA 0.404 5.049 4.640 0.008 0.000 0.228 320 D C -0.502 175.404 176.300 -0.657 0.000 1.074 320 D CA -0.633 53.034 54.000 -0.555 0.000 0.838 320 D CB 0.488 41.121 40.800 -0.279 0.000 1.067 320 D HN 0.098 nan 8.370 nan 0.000 0.511 321 F N 2.322 122.278 119.950 0.009 0.000 2.908 321 F HA 0.271 4.803 4.527 0.008 0.000 0.328 321 F C 1.835 177.644 175.800 0.015 0.000 1.211 321 F CA -0.431 57.579 58.000 0.015 0.000 1.291 321 F CB 0.165 39.184 39.000 0.031 0.000 0.962 321 F HN 0.388 nan 8.300 nan 0.000 0.505 322 Q N 0.231 120.082 119.800 0.086 0.000 2.061 322 Q HA -0.154 4.191 4.340 0.008 0.000 0.204 322 Q C 0.569 176.610 176.000 0.067 0.000 0.984 322 Q CA 1.417 57.258 55.803 0.064 0.000 0.846 322 Q CB 0.060 28.809 28.738 0.017 0.000 0.902 322 Q HN 0.301 nan 8.270 nan 0.000 0.421 323 D N 0.197 120.630 120.400 0.056 0.000 3.072 323 D HA 0.168 4.813 4.640 0.008 0.000 0.250 323 D C -1.038 175.298 176.300 0.060 0.000 1.304 323 D CA 0.081 54.108 54.000 0.044 0.000 0.861 323 D CB 0.230 41.039 40.800 0.016 0.000 1.062 323 D HN 0.009 nan 8.370 nan 0.000 0.481 324 L N 1.137 122.419 121.223 0.100 0.000 2.436 324 L HA 0.298 4.643 4.340 0.008 0.000 0.268 324 L C -1.306 175.647 176.870 0.138 0.000 0.974 324 L CA -0.516 54.397 54.840 0.121 0.000 0.826 324 L CB 2.234 44.394 42.059 0.168 0.000 1.291 324 L HN -0.218 nan 8.230 nan 0.000 0.406 325 Q N 3.338 123.233 119.800 0.160 0.000 2.316 325 Q HA 0.802 5.147 4.340 0.008 0.000 0.264 325 Q C -1.357 174.900 176.000 0.428 0.000 0.987 325 Q CA -0.490 55.462 55.803 0.249 0.000 0.852 325 Q CB 2.622 31.459 28.738 0.165 0.000 1.287 325 Q HN 0.461 nan 8.270 nan 0.000 0.448 326 V N 2.433 122.574 119.914 0.378 0.000 2.709 326 V HA 0.511 4.636 4.120 0.008 0.000 0.308 326 V C -1.394 174.663 176.094 -0.060 0.000 1.062 326 V CA -0.923 61.511 62.300 0.224 0.000 0.901 326 V CB 1.959 33.824 31.823 0.069 0.000 1.003 326 V HN 0.620 nan 8.190 nan 0.000 0.425 327 L N 6.452 127.411 121.223 -0.441 0.000 2.313 327 L HA 0.916 5.261 4.340 0.008 0.000 0.283 327 L C -0.486 176.261 176.870 -0.206 0.000 1.013 327 L CA -0.168 54.323 54.840 -0.582 0.000 0.816 327 L CB 1.686 42.928 42.059 -1.362 0.000 1.236 327 L HN 0.647 nan 8.230 nan 0.000 0.419 328 V N 1.970 121.836 119.914 -0.080 0.000 3.007 328 V HA 1.126 5.251 4.120 0.008 0.000 0.311 328 V C -0.266 175.630 176.094 -0.330 0.000 1.120 328 V CA 0.221 62.459 62.300 -0.102 0.000 0.980 328 V CB 1.218 32.949 31.823 -0.154 0.000 1.033 328 V HN 1.114 nan 8.190 nan 0.000 0.429 329 G N 0.910 109.391 108.800 -0.533 0.000 2.495 329 G HA2 0.794 4.759 3.960 0.008 0.000 0.294 329 G HA3 0.794 4.759 3.960 0.008 0.000 0.294 329 G C -1.199 173.403 174.900 -0.497 0.000 1.397 329 G CA 0.057 44.431 45.100 -1.211 0.000 0.790 329 G HN 2.084 nan 8.290 nan 0.000 0.486 330 V N -2.474 117.262 119.914 -0.298 0.000 3.160 330 V HA 0.927 5.052 4.120 0.008 0.000 0.310 330 V C 0.218 176.482 176.094 0.283 0.000 1.181 330 V CA -0.467 61.871 62.300 0.064 0.000 1.047 330 V CB 1.153 32.994 31.823 0.030 0.000 1.068 330 V HN 1.800 nan 8.190 nan 0.000 0.441 331 V N -0.842 119.260 119.914 0.313 0.000 3.096 331 V HA 0.580 4.705 4.120 0.008 0.000 0.319 331 V C 1.384 177.666 176.094 0.313 0.000 1.082 331 V CA -0.101 62.439 62.300 0.400 0.000 1.022 331 V CB 1.245 33.289 31.823 0.367 0.000 1.103 331 V HN 1.056 nan 8.190 nan 0.000 0.455 332 K N 0.118 120.706 120.400 0.313 0.000 2.152 332 K HA -0.111 4.214 4.320 0.008 0.000 0.206 332 K C -0.020 176.706 176.600 0.210 0.000 1.048 332 K CA 2.176 58.602 56.287 0.233 0.000 0.933 332 K CB -0.031 32.587 32.500 0.197 0.000 0.721 332 K HN 0.963 nan 8.250 nan 0.000 0.447 333 D N 0.409 120.942 120.400 0.221 0.000 2.513 333 D HA 0.060 4.706 4.640 0.008 0.000 0.295 333 D C 0.040 176.479 176.300 0.231 0.000 1.202 333 D CA -0.217 53.905 54.000 0.204 0.000 0.849 333 D CB 1.350 42.252 40.800 0.171 0.000 1.116 333 D HN 0.013 nan 8.370 nan 0.000 0.502 334 E N 0.610 120.956 120.200 0.244 0.000 2.118 334 E HA -0.136 4.219 4.350 0.008 0.000 0.195 334 E C 2.089 178.882 176.600 0.321 0.000 0.992 334 E CA 1.007 57.584 56.400 0.295 0.000 0.804 334 E CB -0.027 29.812 29.700 0.232 0.000 0.741 334 E HN 0.530 nan 8.360 nan 0.000 0.458 335 G N 0.814 109.771 108.800 0.262 0.000 2.683 335 G HA2 -0.131 3.834 3.960 0.008 0.000 0.213 335 G HA3 -0.131 3.834 3.960 0.008 0.000 0.213 335 G C 1.680 176.773 174.900 0.322 0.000 1.142 335 G CA 0.761 46.051 45.100 0.316 0.000 0.793 335 G HN 0.351 nan 8.290 nan 0.000 0.534 336 S N 0.446 116.285 115.700 0.232 0.000 2.359 336 S HA -0.321 4.154 4.470 0.008 0.000 0.223 336 S C 2.095 176.727 174.600 0.054 0.000 1.039 336 S CA 1.504 59.804 58.200 0.167 0.000 1.042 336 S CB -0.958 62.262 63.200 0.034 0.000 0.915 336 S HN 0.451 nan 8.310 nan 0.000 0.439 337 Y N 2.018 122.174 120.300 -0.240 0.000 2.096 337 Y HA -0.274 4.281 4.550 0.008 0.000 0.278 337 Y C 1.916 177.610 175.900 -0.344 0.000 1.192 337 Y CA 2.145 59.933 58.100 -0.520 0.000 1.143 337 Y CB -0.698 37.334 38.460 -0.712 0.000 0.963 337 Y HN 0.285 nan 8.280 nan 0.000 0.505 338 F N -0.403 119.651 119.950 0.173 0.000 2.365 338 F HA -0.190 4.342 4.527 0.008 0.000 0.300 338 F C 2.050 177.902 175.800 0.086 0.000 1.090 338 F CA 0.935 59.009 58.000 0.124 0.000 1.408 338 F CB -0.550 38.456 39.000 0.011 0.000 1.060 338 F HN 0.060 nan 8.300 nan 0.000 0.534 339 L N -0.054 121.247 121.223 0.131 0.000 2.083 339 L HA -0.154 4.191 4.340 0.008 0.000 0.209 339 L C 2.388 179.293 176.870 0.059 0.000 1.083 339 L CA 1.098 55.880 54.840 -0.097 0.000 0.752 339 L CB -0.944 40.813 42.059 -0.503 0.000 0.899 339 L HN 0.180 nan 8.230 nan 0.000 0.433 340 V N -4.882 115.124 119.914 0.153 0.000 3.380 340 V HA -0.171 3.954 4.120 0.008 0.000 0.268 340 V C 1.295 177.326 176.094 -0.104 0.000 1.168 340 V CA 0.831 63.206 62.300 0.125 0.000 1.156 340 V CB -1.194 30.723 31.823 0.156 0.000 0.785 340 V HN 0.299 nan 8.190 nan 0.000 0.487 341 Y N 1.783 122.094 120.300 0.019 0.000 2.645 341 Y HA 0.645 5.200 4.550 0.008 0.000 0.307 341 Y C 1.678 177.564 175.900 -0.023 0.000 1.151 341 Y CA 0.314 58.398 58.100 -0.026 0.000 1.291 341 Y CB 0.535 38.963 38.460 -0.053 0.000 1.135 341 Y HN 0.415 nan 8.280 nan 0.000 0.523 342 G N -1.370 107.480 108.800 0.083 0.000 3.732 342 G HA2 -0.081 3.884 3.960 0.008 0.000 0.220 342 G HA3 -0.081 3.884 3.960 0.008 0.000 0.220 342 G C -0.800 174.145 174.900 0.075 0.000 0.903 342 G CA -0.485 44.654 45.100 0.065 0.000 0.896 342 G HN -0.034 nan 8.290 nan 0.000 0.685 343 V N 2.682 122.657 119.914 0.102 0.000 2.364 343 V HA 0.430 4.555 4.120 0.008 0.000 0.272 343 V C -1.995 174.254 176.094 0.258 0.000 1.036 343 V CA -1.663 60.726 62.300 0.149 0.000 0.880 343 V CB 1.398 33.258 31.823 0.062 0.000 0.991 343 V HN 0.058 nan 8.190 nan 0.000 0.460 344 P HA 0.285 nan 4.420 nan 0.000 0.264 344 P C 0.972 178.356 177.300 0.140 0.000 1.193 344 P CA 1.150 64.328 63.100 0.129 0.000 0.763 344 P CB 0.711 32.456 31.700 0.075 0.000 0.810 345 G N 1.581 110.410 108.800 0.049 0.000 2.253 345 G HA2 -0.199 3.766 3.960 0.008 0.000 0.209 345 G HA3 -0.199 3.766 3.960 0.008 0.000 0.209 345 G C -0.180 174.537 174.900 -0.304 0.000 0.997 345 G CA -0.621 44.394 45.100 -0.142 0.000 0.640 345 G HN 0.389 nan 8.290 nan 0.000 0.496 346 F N 1.600 121.538 119.950 -0.020 0.000 2.399 346 F HA 0.808 5.340 4.527 0.008 0.000 0.334 346 F C 0.643 176.494 175.800 0.084 0.000 1.097 346 F CA -0.107 57.891 58.000 -0.003 0.000 1.076 346 F CB 2.217 41.257 39.000 0.066 0.000 1.162 346 F HN 0.156 nan 8.300 nan 0.000 0.495 347 S N 1.315 117.204 115.700 0.314 0.000 2.537 347 S HA 0.265 4.740 4.470 0.008 0.000 0.271 347 S C 0.207 175.059 174.600 0.420 0.000 1.148 347 S CA -0.878 57.503 58.200 0.302 0.000 0.868 347 S CB 1.342 64.634 63.200 0.153 0.000 1.115 347 S HN 0.772 nan 8.310 nan 0.000 0.461 348 K N 1.289 121.844 120.400 0.259 0.000 2.366 348 K HA 0.113 4.438 4.320 0.008 0.000 0.198 348 K C -0.004 176.617 176.600 0.035 0.000 1.044 348 K CA 0.997 57.361 56.287 0.129 0.000 0.973 348 K CB -0.099 32.229 32.500 -0.286 0.000 0.767 348 K HN 0.455 nan 8.250 nan 0.000 0.475 349 D N 1.169 121.579 120.400 0.016 0.000 2.339 349 D HA 0.006 4.651 4.640 0.008 0.000 0.217 349 D C -0.239 176.088 176.300 0.044 0.000 1.050 349 D CA 0.298 54.288 54.000 -0.017 0.000 0.856 349 D CB 0.102 40.869 40.800 -0.054 0.000 0.922 349 D HN 0.490 nan 8.370 nan 0.000 0.518 350 N N -1.029 117.734 118.700 0.106 0.000 2.902 350 N HA 0.089 4.834 4.740 0.008 0.000 0.268 350 N C 0.447 176.005 175.510 0.079 0.000 1.450 350 N CA -0.521 52.564 53.050 0.058 0.000 0.819 350 N CB 0.874 39.352 38.487 -0.015 0.000 1.540 350 N HN -0.443 nan 8.380 nan 0.000 0.545 351 E N -0.391 119.785 120.200 -0.040 0.000 2.409 351 E HA -0.007 4.348 4.350 0.008 0.000 0.198 351 E C -0.324 175.928 176.600 -0.580 0.000 1.024 351 E CA 0.549 56.852 56.400 -0.161 0.000 0.861 351 E CB -0.663 28.975 29.700 -0.104 0.000 0.788 351 E HN 0.597 nan 8.360 nan 0.000 0.521 352 S N -0.105 115.280 115.700 -0.525 0.000 3.641 352 S HA -0.194 4.281 4.470 0.008 0.000 0.346 352 S C 0.331 174.478 174.600 -0.755 0.000 1.074 352 S CA 0.163 57.903 58.200 -0.766 0.000 1.026 352 S CB -1.822 60.650 63.200 -1.215 0.000 0.908 352 S HN 0.293 nan 8.310 nan 0.000 0.479 353 L N 1.597 122.539 121.223 -0.469 0.000 2.462 353 L HA 0.398 4.743 4.340 0.008 0.000 0.272 353 L C 0.722 177.376 176.870 -0.360 0.000 1.166 353 L CA 0.149 54.776 54.840 -0.355 0.000 0.880 353 L CB 0.160 42.086 42.059 -0.221 0.000 1.142 353 L HN 0.447 nan 8.230 nan 0.000 0.473 354 I N -0.027 120.339 120.570 -0.340 0.000 2.910 354 I HA 0.653 4.828 4.170 0.008 0.000 0.310 354 I C 0.332 176.369 176.117 -0.133 0.000 1.043 354 I CA -0.702 60.437 61.300 -0.269 0.000 1.053 354 I CB 2.081 39.889 38.000 -0.321 0.000 1.242 354 I HN 0.549 nan 8.210 nan 0.000 0.452 355 S N 1.969 117.625 115.700 -0.073 0.000 2.669 355 S HA 0.402 4.877 4.470 0.008 0.000 0.270 355 S C 0.877 175.502 174.600 0.041 0.000 1.225 355 S CA -0.531 57.656 58.200 -0.022 0.000 0.991 355 S CB 1.633 64.827 63.200 -0.011 0.000 0.987 355 S HN 0.884 nan 8.310 nan 0.000 0.552 356 R N 0.260 120.791 120.500 0.052 0.000 2.092 356 R HA -0.029 4.316 4.340 0.008 0.000 0.231 356 R C 2.267 178.667 176.300 0.168 0.000 1.119 356 R CA 1.393 57.565 56.100 0.119 0.000 0.970 356 R CB -1.018 29.330 30.300 0.080 0.000 0.864 356 R HN 0.827 nan 8.270 nan 0.000 0.440 357 A N 0.580 123.460 122.820 0.100 0.000 1.902 357 A HA -0.189 4.136 4.320 0.008 0.000 0.217 357 A C 2.006 179.645 177.584 0.092 0.000 1.181 357 A CA 1.370 53.458 52.037 0.084 0.000 0.623 357 A CB -0.418 18.613 19.000 0.052 0.000 0.818 357 A HN 0.487 nan 8.150 nan 0.000 0.443 358 Q N -1.790 118.067 119.800 0.095 0.000 2.167 358 Q HA -0.123 4.222 4.340 0.008 0.000 0.202 358 Q C 1.857 177.973 176.000 0.193 0.000 0.970 358 Q CA 1.458 57.326 55.803 0.108 0.000 0.855 358 Q CB -0.282 28.491 28.738 0.058 0.000 0.911 358 Q HN 0.815 nan 8.270 nan 0.000 0.438 359 F N 1.112 121.094 119.950 0.053 0.000 2.084 359 F HA -0.196 4.335 4.527 0.008 0.000 0.296 359 F C 1.770 177.608 175.800 0.064 0.000 1.111 359 F CA 1.030 59.073 58.000 0.072 0.000 1.224 359 F CB 0.050 39.075 39.000 0.042 0.000 0.991 359 F HN -0.046 nan 8.300 nan 0.000 0.471 360 L N 0.283 121.471 121.223 -0.057 0.000 2.079 360 L HA -0.222 4.123 4.340 0.008 0.000 0.210 360 L C 2.792 179.586 176.870 -0.127 0.000 1.081 360 L CA 1.138 55.874 54.840 -0.173 0.000 0.752 360 L CB -1.349 40.700 42.059 -0.016 0.000 0.896 360 L HN 0.294 nan 8.230 nan 0.000 0.433 361 A N 0.411 123.210 122.820 -0.036 0.000 1.929 361 A HA -0.023 4.302 4.320 0.008 0.000 0.216 361 A C 2.427 180.000 177.584 -0.018 0.000 1.176 361 A CA 1.369 53.400 52.037 -0.011 0.000 0.628 361 A CB -1.016 18.001 19.000 0.028 0.000 0.816 361 A HN 0.415 nan 8.150 nan 0.000 0.444 362 G N -0.478 108.320 108.800 -0.004 0.000 2.422 362 G HA2 -0.101 3.864 3.960 0.008 0.000 0.218 362 G HA3 -0.101 3.864 3.960 0.008 0.000 0.218 362 G C 1.461 176.309 174.900 -0.087 0.000 1.146 362 G CA 1.198 46.302 45.100 0.007 0.000 0.769 362 G HN 0.296 nan 8.290 nan 0.000 0.547 363 V N 0.810 120.597 119.914 -0.211 0.000 2.407 363 V HA -0.117 4.008 4.120 0.008 0.000 0.248 363 V C 2.965 178.991 176.094 -0.112 0.000 1.055 363 V CA 1.531 63.697 62.300 -0.222 0.000 1.049 363 V CB -0.362 31.236 31.823 -0.375 0.000 0.662 363 V HN 0.197 nan 8.190 nan 0.000 0.455 364 R N -0.145 120.304 120.500 -0.085 0.000 2.115 364 R HA 0.053 4.398 4.340 0.008 0.000 0.230 364 R C 2.009 178.292 176.300 -0.027 0.000 1.111 364 R CA 1.307 57.380 56.100 -0.044 0.000 0.976 364 R CB -0.744 29.540 30.300 -0.028 0.000 0.870 364 R HN 0.486 nan 8.270 nan 0.000 0.445 365 I N -0.732 119.824 120.570 -0.023 0.000 2.480 365 I HA -0.038 4.137 4.170 0.008 0.000 0.251 365 I C 2.187 178.299 176.117 -0.008 0.000 1.124 365 I CA 1.206 62.503 61.300 -0.006 0.000 1.444 365 I CB -0.396 37.609 38.000 0.009 0.000 1.098 365 I HN 0.165 nan 8.210 nan 0.000 0.428 366 G N 0.407 109.192 108.800 -0.025 0.000 2.511 366 G HA2 -0.014 3.951 3.960 0.008 0.000 0.217 366 G HA3 -0.014 3.951 3.960 0.008 0.000 0.217 366 G C 0.842 175.728 174.900 -0.022 0.000 1.133 366 G CA 0.412 45.499 45.100 -0.021 0.000 0.792 366 G HN 0.246 nan 8.290 nan 0.000 0.539 367 V N 1.961 121.841 119.914 -0.057 0.000 2.468 367 V HA 0.207 4.332 4.120 0.008 0.000 0.256 367 V C -1.342 174.730 176.094 -0.037 0.000 0.998 367 V CA -1.036 61.194 62.300 -0.117 0.000 1.114 367 V CB 1.467 33.190 31.823 -0.167 0.000 1.378 367 V HN 0.068 nan 8.190 nan 0.000 0.573 368 P HA -0.190 nan 4.420 nan 0.000 0.218 368 P C 0.937 178.241 177.300 0.006 0.000 1.146 368 P CA 1.277 64.380 63.100 0.004 0.000 0.813 368 P CB 0.540 32.245 31.700 0.009 0.000 0.778 369 Q N -0.779 119.032 119.800 0.018 0.000 2.360 369 Q HA 0.316 4.661 4.340 0.008 0.000 0.202 369 Q C 0.731 176.733 176.000 0.003 0.000 0.915 369 Q CA -0.098 55.713 55.803 0.014 0.000 0.943 369 Q CB -0.156 28.599 28.738 0.030 0.000 1.064 369 Q HN 0.203 nan 8.270 nan 0.000 0.511 370 A N 0.598 123.415 122.820 -0.006 0.000 2.363 370 A HA 0.513 4.838 4.320 0.008 0.000 0.270 370 A C 0.463 178.042 177.584 -0.009 0.000 1.121 370 A CA -0.408 51.622 52.037 -0.012 0.000 0.800 370 A CB 0.355 19.346 19.000 -0.014 0.000 1.052 370 A HN 0.335 nan 8.150 nan 0.000 0.493 371 S N 1.578 117.272 115.700 -0.010 0.000 2.633 371 S HA 0.138 4.613 4.470 0.008 0.000 0.257 371 S C 0.366 174.969 174.600 0.005 0.000 1.265 371 S CA 0.359 58.556 58.200 -0.005 0.000 0.980 371 S CB 0.265 63.459 63.200 -0.010 0.000 1.017 371 S HN 0.607 nan 8.310 nan 0.000 0.577 372 D N -0.037 120.368 120.400 0.010 0.000 2.117 372 D HA -0.029 4.616 4.640 0.008 0.000 0.198 372 D C 1.746 178.066 176.300 0.033 0.000 0.982 372 D CA 0.804 54.815 54.000 0.019 0.000 0.828 372 D CB -0.454 40.357 40.800 0.019 0.000 0.967 372 D HN 0.384 nan 8.370 nan 0.000 0.464 373 L N 0.670 121.914 121.223 0.034 0.000 2.056 373 L HA -0.023 4.322 4.340 0.008 0.000 0.207 373 L C 2.038 178.954 176.870 0.076 0.000 1.078 373 L CA 1.654 56.528 54.840 0.056 0.000 0.749 373 L CB -0.820 41.269 42.059 0.049 0.000 0.901 373 L HN -0.005 nan 8.230 nan 0.000 0.433 374 A N -0.544 122.302 122.820 0.043 0.000 1.902 374 A HA -0.104 4.221 4.320 0.008 0.000 0.217 374 A C 2.442 180.069 177.584 0.073 0.000 1.181 374 A CA 1.803 53.865 52.037 0.041 0.000 0.623 374 A CB -1.160 17.827 19.000 -0.022 0.000 0.818 374 A HN 0.558 nan 8.150 nan 0.000 0.443 375 A N -0.564 122.284 122.820 0.045 0.000 1.933 375 A HA -0.132 4.194 4.320 0.008 0.000 0.218 375 A C 1.981 179.605 177.584 0.066 0.000 1.175 375 A CA 2.103 54.162 52.037 0.036 0.000 0.628 375 A CB -0.425 18.576 19.000 0.002 0.000 0.814 375 A HN 0.471 nan 8.150 nan 0.000 0.444 376 E N 0.329 120.580 120.200 0.085 0.000 2.106 376 E HA -0.032 4.323 4.350 0.008 0.000 0.192 376 E C 2.043 178.739 176.600 0.161 0.000 0.984 376 E CA 1.377 57.845 56.400 0.113 0.000 0.806 376 E CB -0.516 29.246 29.700 0.104 0.000 0.750 376 E HN 0.461 nan 8.360 nan 0.000 0.458 377 A N -0.005 122.930 122.820 0.191 0.000 1.902 377 A HA -0.152 4.173 4.320 0.008 0.000 0.217 377 A C 2.501 180.213 177.584 0.213 0.000 1.181 377 A CA 1.682 53.874 52.037 0.259 0.000 0.623 377 A CB -0.755 18.516 19.000 0.451 0.000 0.818 377 A HN 0.187 nan 8.150 nan 0.000 0.443 378 V N -0.474 119.588 119.914 0.247 0.000 2.295 378 V HA -0.232 3.894 4.120 0.008 0.000 0.246 378 V C 2.575 178.845 176.094 0.294 0.000 1.049 378 V CA 1.989 64.429 62.300 0.233 0.000 1.024 378 V CB -0.808 31.119 31.823 0.175 0.000 0.648 378 V HN 0.372 nan 8.190 nan 0.000 0.447 379 V N -0.046 119.990 119.914 0.203 0.000 2.332 379 V HA -0.263 3.862 4.120 0.008 0.000 0.248 379 V C 2.280 178.588 176.094 0.357 0.000 1.055 379 V CA 2.043 64.506 62.300 0.273 0.000 1.038 379 V CB -0.544 31.371 31.823 0.154 0.000 0.651 379 V HN 0.458 nan 8.190 nan 0.000 0.450 380 L N -0.804 120.616 121.223 0.328 0.000 2.141 380 L HA -0.166 4.179 4.340 0.008 0.000 0.209 380 L C 2.521 179.594 176.870 0.338 0.000 1.094 380 L CA 1.830 56.944 54.840 0.457 0.000 0.763 380 L CB -0.789 41.478 42.059 0.347 0.000 0.908 380 L HN 0.439 nan 8.230 nan 0.000 0.437 381 H N -0.748 118.327 119.070 0.007 0.000 2.395 381 H HA -0.154 4.407 4.556 0.007 0.000 0.299 381 H C 1.853 177.064 175.328 -0.195 0.000 1.070 381 H CA 1.777 57.673 56.048 -0.253 0.000 1.356 381 H CB 0.079 29.349 29.762 -0.821 0.000 1.401 381 H HN 0.218 nan 8.280 nan 0.000 0.524 382 Y N -0.188 120.178 120.300 0.110 0.000 2.517 382 Y HA 0.112 4.668 4.550 0.010 0.000 0.281 382 Y C 0.913 176.853 175.900 0.067 0.000 1.125 382 Y CA 0.453 58.646 58.100 0.155 0.000 1.283 382 Y CB 0.195 38.876 38.460 0.368 0.000 1.042 382 Y HN 0.029 nan 8.280 nan 0.000 0.547 383 T N 1.528 116.108 114.554 0.042 0.000 2.916 383 T HA -0.062 4.293 4.350 0.008 0.000 0.303 383 T C -0.234 174.130 174.700 -0.560 0.000 1.025 383 T CA -0.166 61.704 62.100 -0.383 0.000 1.142 383 T CB 0.204 68.484 68.868 -0.980 0.000 0.947 383 T HN 0.078 nan 8.240 nan 0.000 0.544 384 D N 2.238 122.288 120.400 -0.584 0.000 2.393 384 D HA 0.087 4.732 4.640 0.008 0.000 0.232 384 D C 0.112 176.118 176.300 -0.490 0.000 1.192 384 D CA -0.757 52.878 54.000 -0.609 0.000 0.882 384 D CB 0.258 40.431 40.800 -1.044 0.000 1.038 384 D HN 0.604 nan 8.370 nan 0.000 0.499 385 W N 3.131 124.355 121.300 -0.126 0.000 2.848 385 W HA 0.056 4.720 4.660 0.006 0.000 0.241 385 W C 1.900 178.334 176.519 -0.143 0.000 1.289 385 W CA -0.247 57.035 57.345 -0.104 0.000 1.396 385 W CB 0.035 29.444 29.460 -0.085 0.000 1.138 385 W HN 0.430 nan 8.180 nan 0.000 0.677 386 L N -1.084 120.106 121.223 -0.055 0.000 2.307 386 L HA -0.030 4.315 4.340 0.008 0.000 0.211 386 L C 0.169 176.689 176.870 -0.583 0.000 1.099 386 L CA 0.998 55.669 54.840 -0.282 0.000 0.816 386 L CB -0.078 41.797 42.059 -0.308 0.000 0.952 386 L HN 0.020 nan 8.230 nan 0.000 0.455 387 H N -1.884 117.108 119.070 -0.131 0.000 2.616 387 H HA 0.149 4.710 4.556 0.008 0.000 0.229 387 H C -1.862 173.357 175.328 -0.182 0.000 1.418 387 H CA -1.336 54.636 56.048 -0.128 0.000 1.248 387 H CB 0.048 29.735 29.762 -0.127 0.000 1.822 387 H HN -0.039 nan 8.280 nan 0.000 0.522 388 P HA -0.179 nan 4.420 nan 0.000 0.226 388 P C 0.431 177.658 177.300 -0.122 0.000 1.146 388 P CA 1.278 64.246 63.100 -0.220 0.000 0.773 388 P CB 0.662 32.245 31.700 -0.195 0.000 0.772 389 E N -0.560 119.614 120.200 -0.043 0.000 2.562 389 E HA 0.059 4.414 4.350 0.008 0.000 0.214 389 E C -0.113 176.474 176.600 -0.021 0.000 0.979 389 E CA -0.182 56.203 56.400 -0.025 0.000 1.002 389 E CB 0.015 29.715 29.700 -0.001 0.000 1.048 389 E HN 0.284 nan 8.360 nan 0.000 0.488 390 D N 2.336 122.733 120.400 -0.005 0.000 2.412 390 D HA 0.001 4.646 4.640 0.008 0.000 0.257 390 D C -1.604 174.672 176.300 -0.041 0.000 1.217 390 D CA -1.546 52.449 54.000 -0.009 0.000 0.897 390 D CB 1.396 42.197 40.800 0.001 0.000 1.132 390 D HN -0.175 nan 8.370 nan 0.000 0.493 391 P HA -0.148 nan 4.420 nan 0.000 0.215 391 P C 1.194 178.417 177.300 -0.129 0.000 1.153 391 P CA 1.144 64.179 63.100 -0.109 0.000 0.853 391 P CB 0.178 31.811 31.700 -0.111 0.000 0.788 392 T N -1.896 112.601 114.554 -0.094 0.000 2.746 392 T HA -0.198 4.157 4.350 0.008 0.000 0.267 392 T C 1.751 176.404 174.700 -0.078 0.000 1.039 392 T CA 1.711 63.761 62.100 -0.084 0.000 1.142 392 T CB -1.004 67.835 68.868 -0.048 0.000 0.866 392 T HN 0.274 nan 8.240 nan 0.000 0.444 393 H N 0.878 119.877 119.070 -0.117 0.000 2.353 393 H HA 0.101 4.662 4.556 0.008 0.000 0.300 393 H C 2.001 177.225 175.328 -0.172 0.000 1.090 393 H CA 1.259 57.234 56.048 -0.122 0.000 1.327 393 H CB -0.502 29.174 29.762 -0.144 0.000 1.383 393 H HN 0.247 nan 8.280 nan 0.000 0.508 394 L N 0.125 121.145 121.223 -0.338 0.000 2.083 394 L HA -0.161 4.184 4.340 0.008 0.000 0.209 394 L C 2.905 179.609 176.870 -0.277 0.000 1.083 394 L CA 1.448 55.992 54.840 -0.494 0.000 0.752 394 L CB -0.482 41.372 42.059 -0.341 0.000 0.899 394 L HN 0.309 nan 8.230 nan 0.000 0.433 395 R N 0.620 121.026 120.500 -0.155 0.000 2.070 395 R HA -0.189 4.156 4.340 0.008 0.000 0.233 395 R C 1.621 177.980 176.300 0.097 0.000 1.137 395 R CA 2.200 58.302 56.100 0.003 0.000 0.945 395 R CB -0.429 29.756 30.300 -0.192 0.000 0.845 395 R HN 0.326 nan 8.270 nan 0.000 0.430 396 D N 0.410 120.796 120.400 -0.023 0.000 2.219 396 D HA -0.070 4.575 4.640 0.008 0.000 0.205 396 D C 1.668 177.964 176.300 -0.007 0.000 0.970 396 D CA 1.309 55.331 54.000 0.036 0.000 0.851 396 D CB -0.121 40.684 40.800 0.009 0.000 0.943 396 D HN 0.405 nan 8.370 nan 0.000 0.488 397 A N 0.490 123.189 122.820 -0.201 0.000 1.968 397 A HA -0.088 4.237 4.320 0.008 0.000 0.217 397 A C 2.093 179.758 177.584 0.134 0.000 1.169 397 A CA 1.032 53.018 52.037 -0.084 0.000 0.638 397 A CB -0.341 18.420 19.000 -0.398 0.000 0.812 397 A HN 0.122 nan 8.150 nan 0.000 0.446 398 M N 0.032 119.760 119.600 0.213 0.000 2.117 398 M HA -0.078 4.407 4.480 0.008 0.000 0.262 398 M C 2.279 178.636 176.300 0.096 0.000 1.065 398 M CA 2.115 57.590 55.300 0.290 0.000 1.114 398 M CB -0.603 32.227 32.600 0.382 0.000 1.361 398 M HN 0.394 nan 8.290 nan 0.000 0.408 399 S N -0.227 115.547 115.700 0.124 0.000 2.356 399 S HA -0.096 4.379 4.470 0.008 0.000 0.223 399 S C 2.068 176.745 174.600 0.129 0.000 1.032 399 S CA 1.581 59.866 58.200 0.142 0.000 1.005 399 S CB -0.622 62.728 63.200 0.250 0.000 0.867 399 S HN 0.621 nan 8.310 nan 0.000 0.449 400 A N 0.782 123.691 122.820 0.147 0.000 1.933 400 A HA 0.028 4.354 4.320 0.008 0.000 0.218 400 A C 2.359 180.003 177.584 0.099 0.000 1.175 400 A CA 1.663 53.821 52.037 0.202 0.000 0.628 400 A CB -1.034 18.184 19.000 0.363 0.000 0.814 400 A HN 0.464 nan 8.150 nan 0.000 0.444 401 V N -0.445 119.373 119.914 -0.159 0.000 2.287 401 V HA -0.247 3.878 4.120 0.008 0.000 0.248 401 V C 2.578 178.606 176.094 -0.111 0.000 1.053 401 V CA 2.147 64.261 62.300 -0.310 0.000 1.027 401 V CB -0.712 30.922 31.823 -0.314 0.000 0.646 401 V HN 0.383 nan 8.190 nan 0.000 0.447 402 V N 0.613 120.489 119.914 -0.064 0.000 2.358 402 V HA -0.134 3.991 4.120 0.008 0.000 0.246 402 V C 2.576 178.592 176.094 -0.130 0.000 1.047 402 V CA 2.115 64.373 62.300 -0.069 0.000 1.035 402 V CB -1.218 30.614 31.823 0.015 0.000 0.658 402 V HN 0.617 nan 8.190 nan 0.000 0.452 403 G N -0.566 108.217 108.800 -0.030 0.000 2.408 403 G HA2 -0.196 3.769 3.960 0.008 0.000 0.217 403 G HA3 -0.196 3.769 3.960 0.008 0.000 0.217 403 G C 1.223 176.063 174.900 -0.101 0.000 1.150 403 G CA 0.858 45.946 45.100 -0.020 0.000 0.776 403 G HN 0.494 nan 8.290 nan 0.000 0.542 404 D N -0.203 120.145 120.400 -0.086 0.000 2.103 404 D HA -0.062 4.583 4.640 0.008 0.000 0.199 404 D C 2.078 178.046 176.300 -0.554 0.000 0.978 404 D CA 1.130 55.037 54.000 -0.156 0.000 0.829 404 D CB -0.438 40.446 40.800 0.139 0.000 0.981 404 D HN 0.393 nan 8.370 nan 0.000 0.464 405 H N 1.075 119.542 119.070 -1.005 0.000 2.353 405 H HA 0.010 4.571 4.556 0.008 0.000 0.300 405 H C 1.482 176.400 175.328 -0.683 0.000 1.090 405 H CA 1.726 57.008 56.048 -1.278 0.000 1.327 405 H CB 0.076 29.062 29.762 -1.292 0.000 1.383 405 H HN 0.000 nan 8.280 nan 0.000 0.508 406 N N -0.817 117.445 118.700 -0.729 0.000 2.409 406 N HA -0.002 4.743 4.740 0.008 0.000 0.174 406 N C 1.260 176.519 175.510 -0.417 0.000 1.037 406 N CA 1.108 53.683 53.050 -0.791 0.000 0.898 406 N CB 0.997 38.498 38.487 -1.642 0.000 1.010 406 N HN 0.276 nan 8.380 nan 0.000 0.445 407 V N -0.272 119.455 119.914 -0.311 0.000 3.278 407 V HA 0.047 4.172 4.120 0.008 0.000 0.215 407 V C 2.231 178.273 176.094 -0.087 0.000 1.287 407 V CA 0.193 62.437 62.300 -0.093 0.000 1.302 407 V CB -0.249 31.594 31.823 0.034 0.000 1.228 407 V HN -0.177 nan 8.190 nan 0.000 0.523 408 V N 0.259 120.127 119.914 -0.076 0.000 2.252 408 V HA -0.337 3.788 4.120 0.008 0.000 0.249 408 V C 2.516 178.563 176.094 -0.078 0.000 1.056 408 V CA 2.723 64.988 62.300 -0.058 0.000 1.022 408 V CB -0.898 30.923 31.823 -0.003 0.000 0.641 408 V HN 0.682 nan 8.190 nan 0.000 0.445 409 c N -0.542 117.999 118.600 -0.098 0.000 2.457 409 c HA 0.003 4.578 4.570 0.008 0.000 0.278 409 c C 0.536 174.573 174.090 -0.088 0.000 1.309 409 c CA 0.884 57.181 56.329 -0.054 0.000 1.735 409 c CB -1.752 40.748 42.510 -0.015 0.000 1.992 409 c HN 0.459 nan 8.230 nan 0.000 0.493 410 P HA -0.042 nan 4.420 nan 0.000 0.219 410 P C 1.754 178.977 177.300 -0.129 0.000 1.150 410 P CA 1.207 64.214 63.100 -0.154 0.000 0.814 410 P CB -0.090 31.480 31.700 -0.216 0.000 0.787 411 V N 0.095 119.935 119.914 -0.123 0.000 2.358 411 V HA -0.228 3.897 4.120 0.008 0.000 0.246 411 V C 2.403 178.395 176.094 -0.170 0.000 1.047 411 V CA 2.217 64.433 62.300 -0.141 0.000 1.035 411 V CB -1.626 30.112 31.823 -0.142 0.000 0.658 411 V HN 0.088 nan 8.190 nan 0.000 0.452 412 A N -0.307 122.429 122.820 -0.140 0.000 1.902 412 A HA -0.302 4.023 4.320 0.008 0.000 0.217 412 A C 2.177 179.722 177.584 -0.064 0.000 1.181 412 A CA 2.195 54.159 52.037 -0.122 0.000 0.623 412 A CB -0.565 18.413 19.000 -0.036 0.000 0.818 412 A HN 0.549 nan 8.150 nan 0.000 0.443 413 Q N -0.381 119.394 119.800 -0.043 0.000 2.061 413 Q HA -0.178 4.167 4.340 0.008 0.000 0.204 413 Q C 1.864 177.841 176.000 -0.038 0.000 0.984 413 Q CA 2.065 57.856 55.803 -0.019 0.000 0.846 413 Q CB -0.617 28.103 28.738 -0.030 0.000 0.902 413 Q HN 0.508 nan 8.270 nan 0.000 0.421 414 L N 0.244 121.415 121.223 -0.086 0.000 1.989 414 L HA -0.072 4.273 4.340 0.008 0.000 0.211 414 L C 2.195 179.000 176.870 -0.109 0.000 1.071 414 L CA 2.473 57.249 54.840 -0.107 0.000 0.749 414 L CB -1.275 40.701 42.059 -0.138 0.000 0.890 414 L HN 0.284 nan 8.230 nan 0.000 0.431 415 A N -0.556 122.165 122.820 -0.165 0.000 1.908 415 A HA -0.135 4.190 4.320 0.008 0.000 0.218 415 A C 2.336 179.942 177.584 0.036 0.000 1.181 415 A CA 1.805 53.714 52.037 -0.214 0.000 0.627 415 A CB -1.669 16.933 19.000 -0.664 0.000 0.818 415 A HN 0.572 nan 8.150 nan 0.000 0.445 416 G N -0.670 108.194 108.800 0.106 0.000 2.421 416 G HA2 -0.205 3.760 3.960 0.008 0.000 0.216 416 G HA3 -0.205 3.760 3.960 0.008 0.000 0.216 416 G C 1.671 176.655 174.900 0.139 0.000 1.171 416 G CA 0.821 46.053 45.100 0.221 0.000 0.775 416 G HN 0.419 nan 8.290 nan 0.000 0.543 417 R N 0.324 120.876 120.500 0.086 0.000 2.075 417 R HA 0.122 4.467 4.340 0.008 0.000 0.232 417 R C 2.666 179.051 176.300 0.140 0.000 1.126 417 R CA 0.484 56.647 56.100 0.105 0.000 0.963 417 R CB -1.272 29.083 30.300 0.093 0.000 0.858 417 R HN 0.393 nan 8.270 nan 0.000 0.435 418 L N 0.435 121.691 121.223 0.054 0.000 2.042 418 L HA -0.164 4.181 4.340 0.008 0.000 0.210 418 L C 2.621 179.570 176.870 0.131 0.000 1.076 418 L CA 1.562 56.419 54.840 0.029 0.000 0.749 418 L CB -0.734 41.236 42.059 -0.150 0.000 0.893 418 L HN 0.169 nan 8.230 nan 0.000 0.432 419 A N 0.066 122.962 122.820 0.127 0.000 1.855 419 A HA -0.145 4.180 4.320 0.008 0.000 0.215 419 A C 2.512 180.163 177.584 0.110 0.000 1.191 419 A CA 1.653 53.768 52.037 0.129 0.000 0.613 419 A CB -0.787 18.321 19.000 0.180 0.000 0.829 419 A HN 0.393 nan 8.150 nan 0.000 0.442 420 A N -0.967 121.920 122.820 0.113 0.000 2.076 420 A HA -0.145 4.180 4.320 0.008 0.000 0.220 420 A C 1.706 179.347 177.584 0.095 0.000 1.160 420 A CA 1.526 53.616 52.037 0.088 0.000 0.653 420 A CB -0.370 18.680 19.000 0.083 0.000 0.801 420 A HN 0.667 nan 8.150 nan 0.000 0.455 421 Q N -1.719 118.170 119.800 0.147 0.000 2.268 421 Q HA 0.410 4.755 4.340 0.008 0.000 0.289 421 Q C 0.841 176.931 176.000 0.149 0.000 0.893 421 Q CA 0.231 56.119 55.803 0.142 0.000 1.057 421 Q CB 0.446 29.289 28.738 0.175 0.000 1.173 421 Q HN 0.732 nan 8.270 nan 0.000 0.449 422 G N 0.180 109.054 108.800 0.123 0.000 2.254 422 G HA2 -0.287 3.678 3.960 0.008 0.000 0.225 422 G HA3 -0.287 3.678 3.960 0.008 0.000 0.225 422 G C 0.388 175.364 174.900 0.126 0.000 1.003 422 G CA -0.218 44.946 45.100 0.106 0.000 0.622 422 G HN 0.570 nan 8.290 nan 0.000 0.507 423 A N 0.016 122.940 122.820 0.173 0.000 2.332 423 A HA 0.767 5.092 4.320 0.008 0.000 0.258 423 A C 0.552 178.186 177.584 0.084 0.000 1.087 423 A CA 0.706 52.826 52.037 0.139 0.000 0.802 423 A CB 0.430 19.508 19.000 0.129 0.000 1.042 423 A HN 1.059 nan 8.150 nan 0.000 0.489 424 R N 0.963 121.509 120.500 0.077 0.000 2.229 424 R HA 0.523 4.868 4.340 0.008 0.000 0.328 424 R C -1.540 174.769 176.300 0.015 0.000 1.009 424 R CA -0.003 56.112 56.100 0.026 0.000 0.864 424 R CB 0.573 30.918 30.300 0.074 0.000 1.085 424 R HN 0.420 nan 8.270 nan 0.000 0.453 425 V N 5.789 125.646 119.914 -0.096 0.000 2.604 425 V HA 0.443 4.568 4.120 0.008 0.000 0.305 425 V C -1.093 174.845 176.094 -0.259 0.000 1.043 425 V CA -0.739 61.519 62.300 -0.070 0.000 0.888 425 V CB 1.538 33.385 31.823 0.039 0.000 0.995 425 V HN 0.675 nan 8.190 nan 0.000 0.429 426 Y N 2.076 122.353 120.300 -0.039 0.000 2.409 426 Y HA 0.801 5.356 4.550 0.007 0.000 0.343 426 Y C 0.309 176.296 175.900 0.145 0.000 0.973 426 Y CA -0.526 57.549 58.100 -0.043 0.000 1.064 426 Y CB 2.257 40.344 38.460 -0.623 0.000 1.207 426 Y HN 0.765 nan 8.280 nan 0.000 0.452 427 A N 3.060 126.253 122.820 0.620 0.000 2.435 427 A HA 0.871 5.196 4.320 0.008 0.000 0.304 427 A C -1.885 176.050 177.584 0.586 0.000 1.064 427 A CA -0.683 51.586 52.037 0.386 0.000 0.727 427 A CB 1.160 20.205 19.000 0.076 0.000 1.284 427 A HN 0.755 nan 8.150 nan 0.000 0.415 428 Y N -0.659 119.858 120.300 0.360 0.000 2.655 428 Y HA 0.804 5.357 4.550 0.006 0.000 0.336 428 Y C -1.254 174.802 175.900 0.260 0.000 1.154 428 Y CA -1.654 56.616 58.100 0.283 0.000 1.055 428 Y CB 1.329 39.930 38.460 0.236 0.000 1.295 428 Y HN 0.737 nan 8.280 nan 0.000 0.465 429 I N 2.856 123.723 120.570 0.495 0.000 2.499 429 I HA 0.461 4.636 4.170 0.008 0.000 0.288 429 I C -1.957 174.497 176.117 0.562 0.000 1.048 429 I CA -0.986 60.565 61.300 0.418 0.000 1.062 429 I CB 1.174 39.361 38.000 0.312 0.000 1.238 429 I HN 0.728 nan 8.210 nan 0.000 0.426 430 F N 7.381 127.615 119.950 0.473 0.000 2.411 430 F HA 0.404 4.937 4.527 0.009 0.000 0.355 430 F C 0.507 176.460 175.800 0.255 0.000 1.117 430 F CA 0.069 58.289 58.000 0.366 0.000 1.139 430 F CB 0.931 40.166 39.000 0.392 0.000 1.120 430 F HN 0.537 nan 8.300 nan 0.000 0.493 431 E N 3.150 123.286 120.200 -0.105 0.000 2.603 431 E HA -0.007 4.348 4.350 0.008 0.000 0.211 431 E C -0.805 175.709 176.600 -0.144 0.000 0.995 431 E CA -0.184 56.198 56.400 -0.031 0.000 0.990 431 E CB 0.237 29.936 29.700 -0.003 0.000 1.036 431 E HN 0.519 nan 8.360 nan 0.000 0.475 432 H N 1.763 120.510 119.070 -0.538 0.000 2.517 432 H HA 0.216 4.776 4.556 0.008 0.000 0.317 432 H C -0.337 174.961 175.328 -0.051 0.000 1.080 432 H CA -0.617 55.174 56.048 -0.428 0.000 1.301 432 H CB 0.581 29.849 29.762 -0.824 0.000 1.425 432 H HN -0.117 nan 8.280 nan 0.000 0.471 433 R N 4.329 124.479 120.500 -0.582 0.000 2.234 433 R HA 0.498 4.843 4.340 0.008 0.000 0.324 433 R C -0.639 175.389 176.300 -0.453 0.000 1.054 433 R CA -0.614 55.309 56.100 -0.296 0.000 0.912 433 R CB 0.388 30.604 30.300 -0.139 0.000 1.030 433 R HN 0.786 nan 8.270 nan 0.000 0.455 434 A N 3.273 126.129 122.820 0.059 0.000 2.567 434 A HA -0.003 4.322 4.320 0.008 0.000 0.240 434 A C 1.365 179.039 177.584 0.151 0.000 1.053 434 A CA 0.533 52.800 52.037 0.384 0.000 0.755 434 A CB 0.277 19.642 19.000 0.609 0.000 0.978 434 A HN 1.029 nan 8.150 nan 0.000 0.507 435 S N 1.471 117.297 115.700 0.211 0.000 2.442 435 S HA -0.152 4.323 4.470 0.008 0.000 0.236 435 S C 1.307 175.892 174.600 -0.025 0.000 1.007 435 S CA 1.618 59.866 58.200 0.081 0.000 0.965 435 S CB -0.736 62.536 63.200 0.120 0.000 0.773 435 S HN 1.306 nan 8.310 nan 0.000 0.504 436 T N -0.928 113.569 114.554 -0.095 0.000 3.122 436 T HA 0.378 4.733 4.350 0.008 0.000 0.250 436 T C 0.323 174.945 174.700 -0.129 0.000 1.067 436 T CA -0.618 61.367 62.100 -0.192 0.000 0.966 436 T CB -0.391 68.218 68.868 -0.432 0.000 1.002 436 T HN 0.209 nan 8.240 nan 0.000 0.542 437 L N 4.044 125.231 121.223 -0.060 0.000 2.490 437 L HA 0.290 4.635 4.340 0.008 0.000 0.274 437 L C 1.486 178.290 176.870 -0.109 0.000 1.201 437 L CA 0.845 55.638 54.840 -0.079 0.000 0.869 437 L CB 0.896 42.915 42.059 -0.066 0.000 1.123 437 L HN 0.477 nan 8.230 nan 0.000 0.484 438 T N -0.658 113.786 114.554 -0.183 0.000 3.054 438 T HA 0.139 4.494 4.350 0.008 0.000 0.255 438 T C 0.299 174.947 174.700 -0.087 0.000 1.035 438 T CA -0.493 61.496 62.100 -0.185 0.000 0.941 438 T CB -0.300 68.358 68.868 -0.350 0.000 1.026 438 T HN 0.378 nan 8.240 nan 0.000 0.533 439 W N 3.532 124.808 121.300 -0.040 0.000 2.184 439 W HA 0.447 5.113 4.660 0.009 0.000 0.338 439 W C -1.930 174.494 176.519 -0.159 0.000 1.257 439 W CA -2.188 55.133 57.345 -0.040 0.000 1.243 439 W CB 0.342 29.695 29.460 -0.177 0.000 1.122 439 W HN -0.029 nan 8.180 nan 0.000 0.585 440 P HA -0.043 nan 4.420 nan 0.000 0.271 440 P C 0.509 177.727 177.300 -0.136 0.000 1.233 440 P CA 0.196 63.252 63.100 -0.074 0.000 0.789 440 P CB 0.928 32.584 31.700 -0.073 0.000 0.951 441 L N 0.363 121.571 121.223 -0.025 0.000 2.131 441 L HA -0.123 4.222 4.340 0.008 0.000 0.210 441 L C 2.570 179.462 176.870 0.037 0.000 1.092 441 L CA 1.310 56.155 54.840 0.008 0.000 0.759 441 L CB -0.886 41.209 42.059 0.061 0.000 0.903 441 L HN 0.615 nan 8.230 nan 0.000 0.435 442 W N -0.730 120.613 121.300 0.072 0.000 2.468 442 W HA -0.167 4.498 4.660 0.007 0.000 0.262 442 W C 1.637 178.214 176.519 0.097 0.000 1.241 442 W CA 0.504 57.896 57.345 0.077 0.000 1.232 442 W CB -0.779 28.726 29.460 0.076 0.000 1.124 442 W HN 0.203 nan 8.180 nan 0.000 0.597 443 M N 1.299 120.572 119.600 -0.545 0.000 2.619 443 M HA 0.133 4.618 4.480 0.008 0.000 0.251 443 M C 1.798 178.022 176.300 -0.127 0.000 1.106 443 M CA 1.371 56.362 55.300 -0.516 0.000 1.086 443 M CB -0.545 31.594 32.600 -0.767 0.000 1.465 443 M HN 0.184 nan 8.290 nan 0.000 0.506 444 G N 0.657 109.434 108.800 -0.039 0.000 2.591 444 G HA2 -0.292 3.673 3.960 0.008 0.000 0.298 444 G HA3 -0.292 3.673 3.960 0.008 0.000 0.298 444 G C -0.134 174.786 174.900 0.034 0.000 1.195 444 G CA -0.129 44.990 45.100 0.032 0.000 0.989 444 G HN 0.226 nan 8.290 nan 0.000 0.551 445 V N 3.774 123.751 119.914 0.106 0.000 2.270 445 V HA 0.458 4.583 4.120 0.008 0.000 0.263 445 V C -1.752 174.473 176.094 0.219 0.000 1.066 445 V CA -0.760 61.653 62.300 0.188 0.000 0.857 445 V CB 1.068 33.062 31.823 0.284 0.000 1.099 445 V HN 0.541 nan 8.190 nan 0.000 0.476 446 P HA 0.160 nan 4.420 nan 0.000 0.274 446 P C -0.212 177.301 177.300 0.355 0.000 1.246 446 P CA -0.511 62.716 63.100 0.212 0.000 0.795 446 P CB 0.373 32.090 31.700 0.028 0.000 1.006 447 H N 0.559 119.695 119.070 0.110 0.000 3.167 447 H HA 0.226 4.787 4.556 0.008 0.000 0.306 447 H C 1.576 176.807 175.328 -0.163 0.000 0.965 447 H CA 2.370 58.416 56.048 -0.003 0.000 1.408 447 H CB -0.749 28.974 29.762 -0.064 0.000 1.406 447 H HN 0.748 nan 8.280 nan 0.000 0.576 448 G N 3.507 112.088 108.800 -0.366 0.000 2.213 448 G HA2 -0.321 3.644 3.960 0.008 0.000 0.236 448 G HA3 -0.321 3.644 3.960 0.008 0.000 0.236 448 G C 0.614 175.339 174.900 -0.292 0.000 0.991 448 G CA 0.359 45.196 45.100 -0.439 0.000 0.629 448 G HN 0.644 nan 8.290 nan 0.000 0.517 449 Y N 1.629 122.011 120.300 0.136 0.000 2.462 449 Y HA 0.241 4.795 4.550 0.008 0.000 0.293 449 Y C 2.322 178.322 175.900 0.167 0.000 1.195 449 Y CA 1.003 59.242 58.100 0.231 0.000 1.276 449 Y CB 0.392 39.026 38.460 0.292 0.000 1.082 449 Y HN 0.523 nan 8.280 nan 0.000 0.514 450 E N 0.036 120.159 120.200 -0.129 0.000 2.364 450 E HA -0.043 4.312 4.350 0.008 0.000 0.196 450 E C 1.610 178.076 176.600 -0.224 0.000 0.990 450 E CA 0.538 56.508 56.400 -0.718 0.000 0.886 450 E CB -0.407 28.445 29.700 -1.414 0.000 0.866 450 E HN 0.527 nan 8.360 nan 0.000 0.493 451 I N 2.911 123.439 120.570 -0.070 0.000 2.118 451 I HA -0.325 3.850 4.170 0.008 0.000 0.241 451 I C 2.689 178.793 176.117 -0.022 0.000 1.070 451 I CA 2.233 63.539 61.300 0.010 0.000 1.327 451 I CB -0.595 37.471 38.000 0.109 0.000 1.034 451 I HN 0.203 nan 8.210 nan 0.000 0.405 452 E N 1.035 121.165 120.200 -0.116 0.000 2.209 452 E HA -0.243 4.112 4.350 0.008 0.000 0.196 452 E C 2.037 178.374 176.600 -0.438 0.000 0.993 452 E CA 1.549 57.774 56.400 -0.291 0.000 0.819 452 E CB -0.544 28.959 29.700 -0.327 0.000 0.745 452 E HN 0.457 nan 8.360 nan 0.000 0.477 453 F N 1.310 121.166 119.950 -0.156 0.000 2.187 453 F HA -0.016 4.518 4.527 0.011 0.000 0.295 453 F C 2.357 177.947 175.800 -0.349 0.000 1.091 453 F CA 0.540 58.401 58.000 -0.232 0.000 1.308 453 F CB -0.109 38.858 39.000 -0.056 0.000 1.030 453 F HN -0.039 nan 8.300 nan 0.000 0.487 454 I N -0.874 119.551 120.570 -0.242 0.000 2.286 454 I HA -0.283 3.892 4.170 0.008 0.000 0.248 454 I C 2.019 177.888 176.117 -0.412 0.000 1.115 454 I CA 1.701 62.690 61.300 -0.519 0.000 1.392 454 I CB -1.397 36.171 38.000 -0.719 0.000 1.065 454 I HN 0.085 nan 8.210 nan 0.000 0.418 455 F N 1.023 120.785 119.950 -0.313 0.000 2.780 455 F HA 0.207 4.739 4.527 0.009 0.000 0.299 455 F C 1.889 177.553 175.800 -0.227 0.000 1.146 455 F CA 0.793 58.655 58.000 -0.230 0.000 1.428 455 F CB -0.374 38.478 39.000 -0.246 0.000 1.115 455 F HN 0.295 nan 8.300 nan 0.000 0.583 456 G N 0.011 108.659 108.800 -0.254 0.000 2.147 456 G HA2 -0.310 3.655 3.960 0.008 0.000 0.244 456 G HA3 -0.310 3.655 3.960 0.008 0.000 0.244 456 G C 1.013 175.325 174.900 -0.979 0.000 1.005 456 G CA 0.347 45.172 45.100 -0.457 0.000 0.713 456 G HN 0.308 nan 8.290 nan 0.000 0.515 457 L N 0.408 121.085 121.223 -0.910 0.000 2.081 457 L HA 0.015 4.360 4.340 0.008 0.000 0.212 457 L C 0.509 176.807 176.870 -0.955 0.000 1.080 457 L CA 2.758 56.983 54.840 -1.025 0.000 0.754 457 L CB -0.996 40.720 42.059 -0.572 0.000 0.893 457 L HN 0.212 nan 8.230 nan 0.000 0.433 458 P HA -0.166 nan 4.420 nan 0.000 0.220 458 P C 1.576 178.627 177.300 -0.416 0.000 1.144 458 P CA 0.917 63.457 63.100 -0.935 0.000 0.800 458 P CB 0.036 31.204 31.700 -0.886 0.000 0.772 459 L N -1.333 119.596 121.223 -0.489 0.000 2.456 459 L HA -0.046 4.299 4.340 0.008 0.000 0.224 459 L C 0.930 177.714 176.870 -0.143 0.000 1.148 459 L CA 1.182 55.859 54.840 -0.271 0.000 0.825 459 L CB -1.095 40.822 42.059 -0.237 0.000 0.937 459 L HN -0.036 nan 8.230 nan 0.000 0.450 460 D N -0.460 119.822 120.400 -0.195 0.000 2.365 460 D HA 0.106 4.751 4.640 0.008 0.000 0.237 460 D C -1.633 174.681 176.300 0.022 0.000 1.190 460 D CA -2.164 51.843 54.000 0.013 0.000 0.867 460 D CB 1.591 42.440 40.800 0.082 0.000 1.050 460 D HN -0.067 nan 8.370 nan 0.000 0.491 461 P HA -0.193 nan 4.420 nan 0.000 0.216 461 P C 1.287 178.606 177.300 0.032 0.000 1.154 461 P CA 1.389 64.509 63.100 0.033 0.000 0.865 461 P CB 0.092 31.808 31.700 0.027 0.000 0.789 462 S N -1.417 114.300 115.700 0.029 0.000 2.547 462 S HA -0.051 4.424 4.470 0.008 0.000 0.235 462 S C 1.633 176.235 174.600 0.003 0.000 0.980 462 S CA 0.715 58.922 58.200 0.012 0.000 0.941 462 S CB -1.353 61.853 63.200 0.011 0.000 0.763 462 S HN 0.116 nan 8.310 nan 0.000 0.532 463 L N 0.628 121.871 121.223 0.032 0.000 2.558 463 L HA 0.187 4.532 4.340 0.008 0.000 0.225 463 L C 0.225 177.053 176.870 -0.071 0.000 1.128 463 L CA -0.064 54.786 54.840 0.018 0.000 0.868 463 L CB -0.681 41.469 42.059 0.150 0.000 1.006 463 L HN 0.239 nan 8.230 nan 0.000 0.454 464 N N -1.427 117.264 118.700 -0.016 0.000 2.776 464 N HA -0.230 4.515 4.740 0.008 0.000 0.250 464 N C -0.470 174.999 175.510 -0.068 0.000 1.112 464 N CA 0.839 53.857 53.050 -0.053 0.000 0.733 464 N CB -1.855 36.570 38.487 -0.104 0.000 1.097 464 N HN 0.304 nan 8.380 nan 0.000 0.558 465 Y N 0.850 121.140 120.300 -0.017 0.000 2.314 465 Y HA 0.205 4.760 4.550 0.008 0.000 0.334 465 Y C 1.939 177.867 175.900 0.046 0.000 1.266 465 Y CA 0.164 58.282 58.100 0.029 0.000 1.391 465 Y CB 0.558 39.025 38.460 0.012 0.000 1.306 465 Y HN 0.092 nan 8.280 nan 0.000 0.558 466 T N -2.549 112.152 114.554 0.246 0.000 2.813 466 T HA 0.024 4.379 4.350 0.008 0.000 0.297 466 T C 1.163 175.946 174.700 0.138 0.000 1.036 466 T CA -0.315 61.876 62.100 0.152 0.000 1.044 466 T CB 0.898 69.846 68.868 0.133 0.000 0.993 466 T HN 0.736 nan 8.240 nan 0.000 0.535 467 T N 1.267 115.872 114.554 0.085 0.000 2.759 467 T HA -0.088 4.267 4.350 0.008 0.000 0.269 467 T C 1.770 176.508 174.700 0.063 0.000 1.042 467 T CA 1.921 64.058 62.100 0.062 0.000 1.140 467 T CB -0.436 68.455 68.868 0.039 0.000 0.864 467 T HN 0.788 nan 8.240 nan 0.000 0.455 468 E N 1.071 121.306 120.200 0.057 0.000 2.106 468 E HA -0.084 4.271 4.350 0.008 0.000 0.192 468 E C 2.216 178.859 176.600 0.072 0.000 0.984 468 E CA 0.926 57.344 56.400 0.031 0.000 0.806 468 E CB -0.137 29.550 29.700 -0.021 0.000 0.750 468 E HN 0.557 nan 8.360 nan 0.000 0.458 469 E N 0.431 120.718 120.200 0.145 0.000 2.110 469 E HA -0.187 4.168 4.350 0.008 0.000 0.193 469 E C 2.133 178.884 176.600 0.253 0.000 0.988 469 E CA 0.728 57.314 56.400 0.310 0.000 0.804 469 E CB -0.051 29.974 29.700 0.541 0.000 0.745 469 E HN 0.107 nan 8.360 nan 0.000 0.458 470 R N 0.819 121.391 120.500 0.119 0.000 2.081 470 R HA -0.128 4.217 4.340 0.008 0.000 0.235 470 R C 2.203 178.516 176.300 0.021 0.000 1.131 470 R CA 1.159 57.268 56.100 0.016 0.000 0.960 470 R CB -0.140 30.164 30.300 0.007 0.000 0.856 470 R HN 0.138 nan 8.270 nan 0.000 0.436 471 I N 0.194 120.797 120.570 0.056 0.000 2.315 471 I HA -0.241 3.934 4.170 0.008 0.000 0.248 471 I C 2.084 178.249 176.117 0.080 0.000 1.117 471 I CA 0.793 62.120 61.300 0.045 0.000 1.404 471 I CB -0.284 37.741 38.000 0.042 0.000 1.071 471 I HN 0.185 nan 8.210 nan 0.000 0.419 472 F N 1.987 121.905 119.950 -0.053 0.000 2.102 472 F HA -0.224 4.307 4.527 0.007 0.000 0.298 472 F C 2.447 178.245 175.800 -0.003 0.000 1.105 472 F CA 1.274 59.232 58.000 -0.069 0.000 1.239 472 F CB -0.698 38.199 39.000 -0.172 0.000 0.991 472 F HN 0.019 nan 8.300 nan 0.000 0.474 473 A N 0.125 122.891 122.820 -0.090 0.000 1.883 473 A HA -0.269 4.056 4.320 0.008 0.000 0.217 473 A C 2.179 179.633 177.584 -0.216 0.000 1.186 473 A CA 1.962 53.887 52.037 -0.187 0.000 0.624 473 A CB -1.021 17.881 19.000 -0.164 0.000 0.822 473 A HN 0.602 nan 8.150 nan 0.000 0.444 474 Q N -0.921 118.793 119.800 -0.143 0.000 2.096 474 Q HA -0.208 4.137 4.340 0.008 0.000 0.204 474 Q C 2.408 178.310 176.000 -0.163 0.000 0.982 474 Q CA 1.701 57.428 55.803 -0.125 0.000 0.850 474 Q CB -0.195 28.496 28.738 -0.077 0.000 0.901 474 Q HN 0.622 nan 8.270 nan 0.000 0.422 475 R N 0.198 120.587 120.500 -0.186 0.000 2.073 475 R HA -0.130 4.215 4.340 0.008 0.000 0.234 475 R C 2.330 178.390 176.300 -0.400 0.000 1.134 475 R CA 1.234 57.153 56.100 -0.301 0.000 0.952 475 R CB -0.300 29.892 30.300 -0.180 0.000 0.850 475 R HN 0.244 nan 8.270 nan 0.000 0.433 476 L N 0.014 121.084 121.223 -0.255 0.000 2.046 476 L HA -0.189 4.156 4.340 0.008 0.000 0.208 476 L C 2.537 179.404 176.870 -0.005 0.000 1.077 476 L CA 1.365 56.168 54.840 -0.061 0.000 0.747 476 L CB -0.356 41.500 42.059 -0.338 0.000 0.896 476 L HN 0.239 nan 8.230 nan 0.000 0.432 477 M N -0.815 118.703 119.600 -0.137 0.000 2.149 477 M HA -0.198 4.288 4.480 0.008 0.000 0.261 477 M C 2.291 178.595 176.300 0.007 0.000 1.064 477 M CA 1.499 56.745 55.300 -0.090 0.000 1.102 477 M CB -0.328 32.200 32.600 -0.121 0.000 1.369 477 M HN 0.070 nan 8.290 nan 0.000 0.408 478 K N -0.099 120.266 120.400 -0.058 0.000 2.025 478 K HA -0.122 4.203 4.320 0.008 0.000 0.207 478 K C 1.869 178.509 176.600 0.067 0.000 1.049 478 K CA 1.664 57.917 56.287 -0.056 0.000 0.933 478 K CB -0.448 31.945 32.500 -0.178 0.000 0.714 478 K HN 0.335 nan 8.250 nan 0.000 0.438 479 Y N -0.341 120.078 120.300 0.199 0.000 2.145 479 Y HA -0.215 4.341 4.550 0.010 0.000 0.286 479 Y C 2.455 178.465 175.900 0.184 0.000 1.145 479 Y CA 0.793 59.033 58.100 0.235 0.000 1.148 479 Y CB -0.751 37.988 38.460 0.465 0.000 0.981 479 Y HN 0.212 nan 8.280 nan 0.000 0.507 480 W N 0.598 121.970 121.300 0.121 0.000 2.358 480 W HA -0.217 4.448 4.660 0.007 0.000 0.303 480 W C 2.437 178.948 176.519 -0.015 0.000 1.208 480 W CA 2.256 59.605 57.345 0.005 0.000 1.274 480 W CB -0.593 28.788 29.460 -0.132 0.000 1.138 480 W HN 0.234 nan 8.180 nan 0.000 0.515 481 T N -2.406 112.242 114.554 0.155 0.000 2.985 481 T HA -0.109 4.246 4.350 0.008 0.000 0.266 481 T C 1.411 176.125 174.700 0.023 0.000 1.076 481 T CA 1.012 63.139 62.100 0.044 0.000 1.135 481 T CB -0.520 68.356 68.868 0.013 0.000 0.890 481 T HN -0.079 nan 8.240 nan 0.000 0.480 482 N N 0.923 119.653 118.700 0.050 0.000 2.142 482 N HA 0.018 4.763 4.740 0.008 0.000 0.186 482 N C 1.374 176.858 175.510 -0.043 0.000 1.023 482 N CA 0.934 53.989 53.050 0.009 0.000 0.852 482 N CB -0.641 37.871 38.487 0.041 0.000 0.998 482 N HN 0.461 nan 8.380 nan 0.000 0.424 483 F N 1.812 121.659 119.950 -0.173 0.000 2.134 483 F HA -0.096 4.436 4.527 0.008 0.000 0.299 483 F C 2.181 177.882 175.800 -0.165 0.000 1.097 483 F CA 1.366 59.209 58.000 -0.261 0.000 1.264 483 F CB -0.453 38.293 39.000 -0.423 0.000 1.001 483 F HN 0.030 nan 8.300 nan 0.000 0.479 484 A N 0.601 123.325 122.820 -0.160 0.000 1.902 484 A HA -0.191 4.134 4.320 0.008 0.000 0.217 484 A C 2.357 179.822 177.584 -0.200 0.000 1.181 484 A CA 1.809 53.736 52.037 -0.183 0.000 0.623 484 A CB -0.698 18.264 19.000 -0.063 0.000 0.818 484 A HN 0.472 nan 8.150 nan 0.000 0.443 485 R N -1.200 119.212 120.500 -0.147 0.000 2.073 485 R HA -0.063 4.282 4.340 0.008 0.000 0.229 485 R C 2.036 178.244 176.300 -0.153 0.000 1.120 485 R CA 1.816 57.844 56.100 -0.119 0.000 0.967 485 R CB -0.250 30.008 30.300 -0.071 0.000 0.862 485 R HN 0.718 nan 8.270 nan 0.000 0.436 486 T N -5.002 109.434 114.554 -0.196 0.000 3.004 486 T HA 0.243 4.598 4.350 0.008 0.000 0.266 486 T C 1.139 175.693 174.700 -0.243 0.000 0.986 486 T CA 0.399 62.393 62.100 -0.177 0.000 0.902 486 T CB 1.335 70.136 68.868 -0.111 0.000 1.118 486 T HN 0.339 nan 8.240 nan 0.000 0.522 487 G N 1.238 109.752 108.800 -0.477 0.000 2.143 487 G HA2 -0.163 3.802 3.960 0.008 0.000 0.249 487 G HA3 -0.163 3.802 3.960 0.008 0.000 0.249 487 G C -0.369 174.389 174.900 -0.238 0.000 0.981 487 G CA 0.189 44.935 45.100 -0.590 0.000 0.665 487 G HN 0.792 nan 8.290 nan 0.000 0.528 488 D N -0.608 119.654 120.400 -0.229 0.000 2.736 488 D HA 0.398 5.043 4.640 0.008 0.000 0.243 488 D C -1.340 174.780 176.300 -0.300 0.000 1.304 488 D CA -1.377 52.466 54.000 -0.261 0.000 0.934 488 D CB 2.119 42.864 40.800 -0.092 0.000 1.382 488 D HN 0.010 nan 8.370 nan 0.000 0.571 489 P HA -0.074 nan 4.420 nan 0.000 0.226 489 P C 0.043 177.354 177.300 0.019 0.000 1.153 489 P CA 0.165 63.067 63.100 -0.330 0.000 0.777 489 P CB 0.425 31.575 31.700 -0.918 0.000 0.794 490 N N 1.744 120.420 118.700 -0.040 0.000 2.518 490 N HA 0.006 4.751 4.740 0.008 0.000 0.266 490 N C 0.125 175.702 175.510 0.113 0.000 1.196 490 N CA 0.347 53.478 53.050 0.136 0.000 0.947 490 N CB 0.525 39.082 38.487 0.118 0.000 1.098 490 N HN 0.061 nan 8.380 nan 0.000 0.450 491 D N 2.339 122.823 120.400 0.139 0.000 2.338 491 D HA 0.106 4.751 4.640 0.008 0.000 0.255 491 D C -1.465 174.874 176.300 0.064 0.000 1.237 491 D CA -1.659 52.389 54.000 0.079 0.000 0.883 491 D CB 1.124 41.962 40.800 0.064 0.000 1.087 491 D HN 0.239 nan 8.370 nan 0.000 0.485 492 P HA -0.164 nan 4.420 nan 0.000 0.217 492 P C 0.895 178.217 177.300 0.037 0.000 1.148 492 P CA 1.341 64.463 63.100 0.036 0.000 0.834 492 P CB 0.411 32.123 31.700 0.021 0.000 0.783 493 R N -0.667 119.853 120.500 0.033 0.000 2.029 493 R HA 0.034 4.379 4.340 0.008 0.000 0.210 493 R C 0.974 177.297 176.300 0.039 0.000 1.272 493 R CA 0.097 56.216 56.100 0.031 0.000 0.998 493 R CB -1.527 28.787 30.300 0.023 0.000 0.823 493 R HN 0.032 nan 8.270 nan 0.000 0.481 494 D N 1.451 121.874 120.400 0.039 0.000 3.465 494 D HA -0.101 4.544 4.640 0.008 0.000 0.252 494 D C -0.208 176.128 176.300 0.059 0.000 1.399 494 D CA 0.452 54.479 54.000 0.045 0.000 0.946 494 D CB 0.395 41.221 40.800 0.044 0.000 1.183 494 D HN 0.219 nan 8.370 nan 0.000 0.622 495 S N 2.572 118.304 115.700 0.053 0.000 2.503 495 S HA -0.021 4.454 4.470 0.008 0.000 0.217 495 S C 2.147 176.783 174.600 0.059 0.000 0.999 495 S CA 0.664 58.899 58.200 0.059 0.000 0.914 495 S CB 0.501 63.730 63.200 0.049 0.000 0.782 495 S HN 0.680 nan 8.310 nan 0.000 0.520 496 K N 2.079 122.510 120.400 0.052 0.000 1.978 496 K HA 0.051 4.376 4.320 0.008 0.000 0.214 496 K C 1.134 177.770 176.600 0.060 0.000 1.049 496 K CA 1.506 57.822 56.287 0.048 0.000 0.939 496 K CB -1.402 31.121 32.500 0.039 0.000 0.721 496 K HN 0.379 nan 8.250 nan 0.000 0.441 497 S N 2.309 118.052 115.700 0.072 0.000 2.563 497 S HA 0.189 4.665 4.470 0.008 0.000 0.294 497 S C -2.167 172.499 174.600 0.111 0.000 1.279 497 S CA -0.610 57.646 58.200 0.094 0.000 1.069 497 S CB 0.647 63.918 63.200 0.118 0.000 0.828 497 S HN 0.549 nan 8.310 nan 0.000 0.497 498 P HA 0.007 nan 4.420 nan 0.000 0.266 498 P C -0.533 176.857 177.300 0.150 0.000 1.195 498 P CA -0.254 62.908 63.100 0.103 0.000 0.768 498 P CB 0.455 32.198 31.700 0.071 0.000 0.838 499 Q N 1.060 120.952 119.800 0.153 0.000 2.354 499 Q HA 0.123 4.468 4.340 0.008 0.000 0.244 499 Q C -0.361 175.807 176.000 0.279 0.000 0.969 499 Q CA 0.275 56.206 55.803 0.213 0.000 0.885 499 Q CB 0.581 29.428 28.738 0.182 0.000 1.241 499 Q HN 0.591 nan 8.270 nan 0.000 0.461 500 W N 5.858 127.227 121.300 0.116 0.000 2.311 500 W HA 0.327 4.991 4.660 0.007 0.000 0.317 500 W C -2.492 174.178 176.519 0.252 0.000 1.065 500 W CA -2.586 54.839 57.345 0.133 0.000 1.364 500 W CB 0.537 30.023 29.460 0.042 0.000 1.233 500 W HN 0.391 nan 8.180 nan 0.000 0.409 501 P HA 0.280 nan 4.420 nan 0.000 0.277 501 P C -2.625 174.860 177.300 0.308 0.000 1.240 501 P CA -1.621 61.695 63.100 0.359 0.000 0.798 501 P CB 1.168 32.995 31.700 0.212 0.000 0.979 502 P HA 0.085 nan 4.420 nan 0.000 0.269 502 P C -0.710 176.569 177.300 -0.035 0.000 1.215 502 P CA 0.209 63.089 63.100 -0.367 0.000 0.780 502 P CB 0.079 31.562 31.700 -0.362 0.000 0.898 503 Y N 2.267 122.496 120.300 -0.118 0.000 2.316 503 Y HA 0.445 5.003 4.550 0.013 0.000 0.331 503 Y C 0.109 176.000 175.900 -0.014 0.000 1.083 503 Y CA 0.239 58.349 58.100 0.017 0.000 1.206 503 Y CB 0.500 38.997 38.460 0.062 0.000 1.195 503 Y HN 0.392 nan 8.280 nan 0.000 0.497 504 T N 0.200 114.428 114.554 -0.544 0.000 2.906 504 T HA 0.246 4.601 4.350 0.008 0.000 0.295 504 T C 0.845 175.251 174.700 -0.490 0.000 1.075 504 T CA -0.200 61.693 62.100 -0.345 0.000 1.005 504 T CB 1.256 70.019 68.868 -0.175 0.000 1.136 504 T HN 0.680 nan 8.240 nan 0.000 0.498 505 T N -0.813 113.619 114.554 -0.202 0.000 2.867 505 T HA 0.029 4.384 4.350 0.008 0.000 0.268 505 T C 2.233 176.866 174.700 -0.112 0.000 1.057 505 T CA 0.959 62.987 62.100 -0.119 0.000 1.136 505 T CB -0.806 68.058 68.868 -0.007 0.000 0.874 505 T HN 0.859 nan 8.240 nan 0.000 0.466 506 A N 2.057 124.817 122.820 -0.100 0.000 1.835 506 A HA 0.410 4.735 4.320 0.008 0.000 0.215 506 A C 2.731 180.270 177.584 -0.076 0.000 1.199 506 A CA 1.865 53.864 52.037 -0.065 0.000 0.615 506 A CB -1.335 17.637 19.000 -0.047 0.000 0.838 506 A HN 0.780 nan 8.150 nan 0.000 0.444 507 A N -2.290 120.463 122.820 -0.112 0.000 2.095 507 A HA 0.257 4.582 4.320 0.008 0.000 0.212 507 A C 0.927 178.440 177.584 -0.118 0.000 1.162 507 A CA 0.840 52.824 52.037 -0.087 0.000 0.753 507 A CB -0.292 18.673 19.000 -0.059 0.000 0.840 507 A HN 0.586 nan 8.150 nan 0.000 0.468 508 Q N -0.107 119.500 119.800 -0.321 0.000 2.435 508 Q HA -0.223 4.122 4.340 0.008 0.000 0.312 508 Q C -0.819 175.210 176.000 0.049 0.000 1.333 508 Q CA 0.720 56.278 55.803 -0.408 0.000 0.883 508 Q CB -1.743 26.975 28.738 -0.033 0.000 1.170 508 Q HN 0.848 nan 8.270 nan 0.000 0.443 509 Q N 0.389 120.210 119.800 0.036 0.000 2.259 509 Q HA 0.555 4.900 4.340 0.008 0.000 0.249 509 Q C -0.364 175.925 176.000 0.481 0.000 0.914 509 Q CA -0.169 55.758 55.803 0.206 0.000 0.904 509 Q CB 0.719 29.517 28.738 0.100 0.000 1.213 509 Q HN 0.354 nan 8.270 nan 0.000 0.428 510 Y N -1.958 118.483 120.300 0.234 0.000 2.670 510 Y HA 0.710 5.271 4.550 0.019 0.000 0.334 510 Y C -1.121 174.798 175.900 0.032 0.000 1.185 510 Y CA -1.521 56.711 58.100 0.220 0.000 1.053 510 Y CB 0.522 39.102 38.460 0.200 0.000 1.298 510 Y HN 0.384 nan 8.280 nan 0.000 0.459 511 V N -0.520 119.342 119.914 -0.087 0.000 2.919 511 V HA 0.861 4.986 4.120 0.008 0.000 0.316 511 V C -0.221 175.799 176.094 -0.122 0.000 1.077 511 V CA -0.620 61.477 62.300 -0.339 0.000 0.977 511 V CB 1.358 32.725 31.823 -0.760 0.000 1.039 511 V HN 1.182 nan 8.190 nan 0.000 0.441 512 S N 2.879 118.500 115.700 -0.132 0.000 2.475 512 S HA 0.707 5.182 4.470 0.008 0.000 0.281 512 S C -0.540 174.032 174.600 -0.047 0.000 1.198 512 S CA -0.651 57.543 58.200 -0.011 0.000 1.063 512 S CB 0.565 63.748 63.200 -0.028 0.000 0.972 512 S HN 0.737 nan 8.310 nan 0.000 0.486 513 L N 4.961 126.202 121.223 0.030 0.000 2.276 513 L HA 0.553 4.898 4.340 0.008 0.000 0.286 513 L C 0.346 177.145 176.870 -0.119 0.000 1.024 513 L CA -0.354 54.523 54.840 0.062 0.000 0.826 513 L CB 0.111 42.289 42.059 0.199 0.000 1.211 513 L HN 0.957 nan 8.230 nan 0.000 0.422 514 N N 2.483 121.050 118.700 -0.222 0.000 3.364 514 N HA 0.261 5.006 4.740 0.008 0.000 0.294 514 N C 0.372 175.341 175.510 -0.902 0.000 1.562 514 N CA -0.966 51.666 53.050 -0.696 0.000 0.862 514 N CB 1.265 39.519 38.487 -0.389 0.000 1.691 514 N HN 0.204 nan 8.380 nan 0.000 0.572 515 L N -0.248 120.429 121.223 -0.910 0.000 2.191 515 L HA -0.028 4.317 4.340 0.008 0.000 0.212 515 L C 0.820 177.512 176.870 -0.297 0.000 1.103 515 L CA 1.224 55.666 54.840 -0.664 0.000 0.769 515 L CB -0.574 41.180 42.059 -0.508 0.000 0.908 515 L HN 0.372 nan 8.230 nan 0.000 0.438 516 K N -0.043 120.224 120.400 -0.221 0.000 2.107 516 K HA 0.290 4.615 4.320 0.008 0.000 0.251 516 K C -2.172 174.393 176.600 -0.058 0.000 1.012 516 K CA -1.925 54.296 56.287 -0.109 0.000 0.920 516 K CB 0.063 32.510 32.500 -0.089 0.000 1.033 516 K HN -0.218 nan 8.250 nan 0.000 0.478 517 P HA -0.032 nan 4.420 nan 0.000 0.269 517 P C -0.351 176.958 177.300 0.015 0.000 1.217 517 P CA -0.107 63.009 63.100 0.026 0.000 0.783 517 P CB 0.399 32.114 31.700 0.025 0.000 0.898 518 L N 1.509 122.760 121.223 0.046 0.000 2.593 518 L HA -0.067 4.278 4.340 0.008 0.000 0.287 518 L C 1.053 177.894 176.870 -0.048 0.000 1.243 518 L CA 0.985 55.813 54.840 -0.021 0.000 0.890 518 L CB -0.163 41.885 42.059 -0.018 0.000 1.134 518 L HN 0.506 nan 8.230 nan 0.000 0.502 519 E N 2.857 122.999 120.200 -0.096 0.000 2.234 519 E HA 0.406 4.761 4.350 0.008 0.000 0.266 519 E C -1.471 175.037 176.600 -0.153 0.000 0.877 519 E CA -0.758 55.586 56.400 -0.094 0.000 0.758 519 E CB 2.092 31.742 29.700 -0.082 0.000 1.170 519 E HN 0.287 nan 8.360 nan 0.000 0.415 520 V N 4.770 124.606 119.914 -0.130 0.000 2.509 520 V HA 0.456 4.581 4.120 0.008 0.000 0.284 520 V C 0.273 176.228 176.094 -0.232 0.000 1.047 520 V CA -0.249 61.949 62.300 -0.171 0.000 0.952 520 V CB 1.201 32.980 31.823 -0.073 0.000 0.988 520 V HN 0.692 nan 8.190 nan 0.000 0.469 521 R N 3.639 123.874 120.500 -0.441 0.000 2.888 521 R HA 0.728 5.074 4.340 0.008 0.000 0.266 521 R C -0.907 175.172 176.300 -0.367 0.000 1.020 521 R CA -1.034 54.779 56.100 -0.478 0.000 0.963 521 R CB 2.538 32.388 30.300 -0.750 0.000 1.197 521 R HN 0.596 nan 8.270 nan 0.000 0.481 522 R N -0.054 120.404 120.500 -0.071 0.000 2.670 522 R HA 0.498 4.843 4.340 0.008 0.000 0.289 522 R C -0.709 175.771 176.300 0.299 0.000 0.965 522 R CA -0.594 55.581 56.100 0.125 0.000 0.899 522 R CB 2.181 32.521 30.300 0.066 0.000 1.173 522 R HN 0.884 nan 8.270 nan 0.000 0.456 523 G N 2.055 111.076 108.800 0.369 0.000 3.445 523 G HA2 -0.222 3.743 3.960 0.008 0.000 0.634 523 G HA3 -0.222 3.743 3.960 0.008 0.000 0.634 523 G C -1.040 174.068 174.900 0.346 0.000 0.909 523 G CA -0.833 44.457 45.100 0.317 0.000 0.740 523 G HN 0.370 nan 8.290 nan 0.000 0.441 524 L N 4.334 125.657 121.223 0.168 0.000 2.328 524 L HA 0.541 4.886 4.340 0.008 0.000 0.280 524 L C 1.557 178.448 176.870 0.034 0.000 1.111 524 L CA -0.454 54.323 54.840 -0.105 0.000 0.909 524 L CB -0.181 41.727 42.059 -0.253 0.000 1.277 524 L HN 0.709 nan 8.230 nan 0.000 0.433 525 R N 2.874 123.432 120.500 0.096 0.000 3.405 525 R HA -0.288 4.058 4.340 0.008 0.000 0.258 525 R C 1.396 177.795 176.300 0.165 0.000 1.030 525 R CA 0.711 56.899 56.100 0.147 0.000 0.691 525 R CB -2.204 28.190 30.300 0.157 0.000 1.093 525 R HN 0.793 nan 8.270 nan 0.000 0.448 526 A N 0.699 123.614 122.820 0.158 0.000 1.881 526 A HA -0.309 4.016 4.320 0.008 0.000 0.219 526 A C 2.088 179.769 177.584 0.161 0.000 1.215 526 A CA 1.712 53.843 52.037 0.156 0.000 0.648 526 A CB -0.185 18.902 19.000 0.145 0.000 0.832 526 A HN 0.429 nan 8.150 nan 0.000 0.455 527 Q N -0.927 118.967 119.800 0.157 0.000 1.993 527 Q HA -0.119 4.226 4.340 0.008 0.000 0.202 527 Q C 2.342 178.470 176.000 0.213 0.000 0.984 527 Q CA 2.143 58.044 55.803 0.163 0.000 0.837 527 Q CB -1.361 27.461 28.738 0.140 0.000 0.902 527 Q HN 0.692 nan 8.270 nan 0.000 0.423 528 T N 0.787 115.493 114.554 0.253 0.000 2.720 528 T HA -0.151 4.204 4.350 0.008 0.000 0.268 528 T C 2.025 176.964 174.700 0.397 0.000 1.037 528 T CA 1.377 63.662 62.100 0.309 0.000 1.144 528 T CB -0.361 68.730 68.868 0.372 0.000 0.864 528 T HN 0.324 nan 8.240 nan 0.000 0.444 529 c N 1.420 120.231 118.600 0.352 0.000 2.456 529 c HA 0.275 4.851 4.570 0.008 0.000 0.279 529 c C 3.082 177.339 174.090 0.278 0.000 1.427 529 c CA -0.068 56.475 56.329 0.357 0.000 1.778 529 c CB -1.464 41.181 42.510 0.224 0.000 1.842 529 c HN 0.643 nan 8.230 nan 0.000 0.531 530 A N 0.190 123.145 122.820 0.226 0.000 1.929 530 A HA -0.125 4.200 4.320 0.008 0.000 0.216 530 A C 1.836 179.533 177.584 0.188 0.000 1.176 530 A CA 1.299 53.444 52.037 0.179 0.000 0.628 530 A CB -0.744 18.348 19.000 0.154 0.000 0.816 530 A HN 0.520 nan 8.150 nan 0.000 0.444 531 F N -0.479 119.475 119.950 0.008 0.000 2.069 531 F HA -0.216 4.316 4.527 0.007 0.000 0.298 531 F C 1.947 177.717 175.800 -0.049 0.000 1.113 531 F CA 1.865 59.793 58.000 -0.119 0.000 1.214 531 F CB -0.664 37.999 39.000 -0.561 0.000 0.978 531 F HN 0.382 nan 8.300 nan 0.000 0.474 532 W N 0.655 121.894 121.300 -0.102 0.000 2.381 532 W HA -0.136 4.527 4.660 0.006 0.000 0.301 532 W C 2.246 178.686 176.519 -0.132 0.000 1.205 532 W CA 1.091 58.322 57.345 -0.189 0.000 1.285 532 W CB -0.649 28.840 29.460 0.049 0.000 1.133 532 W HN -0.023 nan 8.180 nan 0.000 0.521 533 N N -0.263 118.552 118.700 0.192 0.000 2.416 533 N HA 0.016 4.761 4.740 0.008 0.000 0.177 533 N C 1.432 176.970 175.510 0.046 0.000 1.036 533 N CA 0.954 54.064 53.050 0.100 0.000 0.901 533 N CB -0.169 38.378 38.487 0.101 0.000 0.976 533 N HN 0.290 nan 8.380 nan 0.000 0.444 534 R N -1.429 119.100 120.500 0.049 0.000 2.215 534 R HA 0.225 4.570 4.340 0.008 0.000 0.190 534 R C 1.439 177.756 176.300 0.029 0.000 0.968 534 R CA -0.099 56.029 56.100 0.047 0.000 1.122 534 R CB -0.238 30.115 30.300 0.089 0.000 1.151 534 R HN 0.020 nan 8.270 nan 0.000 0.582 535 F N 1.880 121.764 119.950 -0.111 0.000 2.094 535 F HA 0.087 4.619 4.527 0.008 0.000 0.291 535 F C 1.868 177.531 175.800 -0.227 0.000 1.109 535 F CA 1.135 59.050 58.000 -0.141 0.000 1.221 535 F CB -0.261 38.682 39.000 -0.095 0.000 1.014 535 F HN -0.156 nan 8.300 nan 0.000 0.473 536 L N 0.429 121.281 121.223 -0.618 0.000 2.043 536 L HA -0.216 4.129 4.340 0.008 0.000 0.212 536 L C -0.437 176.169 176.870 -0.441 0.000 1.075 536 L CA 1.837 56.289 54.840 -0.647 0.000 0.752 536 L CB -2.063 39.669 42.059 -0.544 0.000 0.891 536 L HN 0.170 nan 8.230 nan 0.000 0.432 537 P HA -0.197 nan 4.420 nan 0.000 0.213 537 P C 1.387 178.546 177.300 -0.236 0.000 1.170 537 P CA 1.383 64.370 63.100 -0.188 0.000 0.898 537 P CB -0.030 31.603 31.700 -0.113 0.000 0.787 538 K N -1.048 119.190 120.400 -0.271 0.000 2.218 538 K HA -0.179 4.146 4.320 0.008 0.000 0.205 538 K C 1.920 178.318 176.600 -0.336 0.000 1.046 538 K CA 0.950 57.087 56.287 -0.251 0.000 0.933 538 K CB -0.805 31.582 32.500 -0.187 0.000 0.728 538 K HN 0.058 nan 8.250 nan 0.000 0.454 539 L N 1.178 122.061 121.223 -0.566 0.000 2.027 539 L HA -0.143 4.202 4.340 0.008 0.000 0.206 539 L C 2.032 178.757 176.870 -0.242 0.000 1.074 539 L CA 1.356 55.910 54.840 -0.477 0.000 0.745 539 L CB -0.685 41.018 42.059 -0.593 0.000 0.898 539 L HN 0.078 nan 8.230 nan 0.000 0.433 540 L N -0.414 120.677 121.223 -0.219 0.000 2.081 540 L HA -0.168 4.177 4.340 0.008 0.000 0.212 540 L C 1.650 178.462 176.870 -0.097 0.000 1.080 540 L CA 1.575 56.337 54.840 -0.131 0.000 0.754 540 L CB -0.679 41.312 42.059 -0.115 0.000 0.893 540 L HN 0.255 nan 8.230 nan 0.000 0.433 541 S N 0.736 116.374 115.700 -0.104 0.000 3.456 541 S HA 0.625 5.100 4.470 0.008 0.000 0.229 541 S C 0.140 174.704 174.600 -0.061 0.000 1.416 541 S CA 0.292 58.450 58.200 -0.071 0.000 1.197 541 S CB -0.937 62.223 63.200 -0.066 0.000 1.201 541 S HN 0.651 nan 8.310 nan 0.000 0.479 542 A N 0.000 122.786 122.820 -0.057 0.000 2.254 542 A HA 0.000 4.325 4.320 0.008 0.000 0.244 542 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 542 A CB 0.000 18.978 19.000 -0.036 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486