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 1xme_1_A DATA FIRST_RESID 6 DATA SEQUENCE SEISRVYEAY PEKKATLYFL VLGFLALIVG SLFGPFQALN YGNVDAYPLL DATA SEQUENCE KRLLPFVQSY YQGLTLHGVL NAIVFTQLFA QAIMVYLPAR ELNMRPNMGL DATA SEQUENCE MWLSWWMAFI GLVVAALPLL ANEATVLYTF YPPLKGHWAF YLGASVFVLS DATA SEQUENCE TWVSIYIVLD LWRRWKAANP GKVTPLVTYM AVVFWLMWFL ASLGLVLEAV DATA SEQUENCE LFLLPWSFGL VEGVDPLVAR TLFWWTGHPI VYFWLLPAYA IIYTILPKQA DATA SEQUENCE GGKLVSDPMA RLAFLLFLLL STPVGFHHQF ADPGIDPTWK MIHSVLTLFV DATA SEQUENCE AVPSLMTAFT VAASLEFAGR LRGGRGLFGW IRALPWDNPA FVAPVLGLLG DATA SEQUENCE FIPGGAGGIV NASFTLDYVV HNTAWVPGHF HLQVASLVTL TAMGSLYWLL DATA SEQUENCE PNLTGKPISD AQRRLGLAVV WLWFLGMMIM AVGLHWAGLL NVPRRAYIAQ DATA SEQUENCE VPDAYPHAAV PMVFNVLAGI VLLVALLLFI YGLFSVLLSR ERKPELAEAP DATA SEQUENCE LPFAEVISGP EDRRLVLAMD RIGFWFAVAA ILVVLAYGPT LVQLFGHLNP DATA SEQUENCE VPGWRLW 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.600 174.600 -0.000 0.000 1.055 6 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 6 S CB 0.000 63.188 63.200 -0.021 0.000 0.593 7 E N 2.218 122.430 120.200 0.019 0.000 2.255 7 E HA 0.460 4.809 4.350 -0.001 0.000 0.256 7 E C 0.862 177.492 176.600 0.051 0.000 0.887 7 E CA -0.749 55.681 56.400 0.050 0.000 0.782 7 E CB 0.538 30.283 29.700 0.074 0.000 1.214 7 E HN 0.535 nan 8.360 nan 0.000 0.417 8 I N 0.712 121.313 120.570 0.051 0.000 2.830 8 I HA 0.106 4.276 4.170 -0.001 0.000 0.263 8 I C 0.867 176.992 176.117 0.015 0.000 1.230 8 I CA 0.192 61.509 61.300 0.028 0.000 1.480 8 I CB 0.238 38.251 38.000 0.022 0.000 1.095 8 I HN 0.243 nan 8.210 nan 0.000 0.455 9 S N 1.213 116.931 115.700 0.030 0.000 2.422 9 S HA 0.343 4.812 4.470 -0.001 0.000 0.298 9 S C 0.983 175.586 174.600 0.004 0.000 1.118 9 S CA -0.653 57.516 58.200 -0.052 0.000 1.083 9 S CB 1.070 64.110 63.200 -0.266 0.000 0.971 9 S HN 0.338 nan 8.310 nan 0.000 0.478 10 R N 3.241 123.734 120.500 -0.011 0.000 2.148 10 R HA -0.004 4.335 4.340 -0.001 0.000 0.223 10 R C 1.744 178.069 176.300 0.042 0.000 1.088 10 R CA 1.036 57.147 56.100 0.018 0.000 0.985 10 R CB -0.224 30.081 30.300 0.009 0.000 0.880 10 R HN 0.628 nan 8.270 nan 0.000 0.451 11 V N 0.017 119.942 119.914 0.019 0.000 2.343 11 V HA -0.254 3.865 4.120 -0.001 0.000 0.247 11 V C 1.707 177.952 176.094 0.253 0.000 1.051 11 V CA 1.558 63.924 62.300 0.111 0.000 1.036 11 V CB -0.508 31.308 31.823 -0.012 0.000 0.654 11 V HN 0.291 nan 8.190 nan 0.000 0.451 12 Y N 0.691 121.068 120.300 0.129 0.000 2.373 12 Y HA -0.060 4.489 4.550 -0.001 0.000 0.293 12 Y C 2.495 178.449 175.900 0.089 0.000 1.129 12 Y CA 0.462 58.637 58.100 0.125 0.000 1.226 12 Y CB -0.591 37.924 38.460 0.091 0.000 1.000 12 Y HN 0.432 nan 8.280 nan 0.000 0.549 13 E N -0.418 119.902 120.200 0.200 0.000 2.072 13 E HA -0.122 4.228 4.350 -0.001 0.000 0.190 13 E C 2.381 178.996 176.600 0.026 0.000 0.982 13 E CA 0.936 57.394 56.400 0.097 0.000 0.803 13 E CB -0.142 29.591 29.700 0.054 0.000 0.755 13 E HN 0.372 nan 8.360 nan 0.000 0.453 14 A N 0.760 123.555 122.820 -0.041 0.000 1.897 14 A HA -0.097 4.223 4.320 -0.001 0.000 0.215 14 A C 0.547 177.857 177.584 -0.456 0.000 1.181 14 A CA 0.994 52.848 52.037 -0.305 0.000 0.620 14 A CB -0.193 18.538 19.000 -0.448 0.000 0.821 14 A HN 0.227 nan 8.150 nan 0.000 0.443 15 Y N -0.487 119.910 120.300 0.163 0.000 2.747 15 Y HA 0.293 4.843 4.550 -0.001 0.000 0.362 15 Y C -1.818 174.210 175.900 0.213 0.000 1.026 15 Y CA -2.454 55.758 58.100 0.187 0.000 1.135 15 Y CB 0.727 39.316 38.460 0.215 0.000 1.175 15 Y HN 0.240 nan 8.280 nan 0.000 0.643 16 P HA -0.231 nan 4.420 nan 0.000 0.218 16 P C 1.179 178.553 177.300 0.124 0.000 1.149 16 P CA 1.640 64.851 63.100 0.185 0.000 0.817 16 P CB 0.452 32.252 31.700 0.166 0.000 0.785 17 E N 1.542 121.837 120.200 0.158 0.000 2.267 17 E HA -0.212 4.137 4.350 -0.001 0.000 0.197 17 E C 1.703 178.352 176.600 0.082 0.000 0.998 17 E CA 1.198 57.663 56.400 0.108 0.000 0.830 17 E CB -0.785 29.045 29.700 0.217 0.000 0.751 17 E HN 0.273 nan 8.360 nan 0.000 0.491 18 K N 0.862 121.365 120.400 0.171 0.000 2.097 18 K HA -0.120 4.199 4.320 -0.001 0.000 0.206 18 K C 2.325 178.832 176.600 -0.156 0.000 1.049 18 K CA 1.628 57.947 56.287 0.054 0.000 0.933 18 K CB -0.046 32.653 32.500 0.332 0.000 0.717 18 K HN 0.062 nan 8.250 nan 0.000 0.442 19 K N 0.280 120.491 120.400 -0.316 0.000 2.062 19 K HA -0.056 4.263 4.320 -0.001 0.000 0.205 19 K C 2.032 178.445 176.600 -0.312 0.000 1.051 19 K CA 1.041 57.036 56.287 -0.487 0.000 0.941 19 K CB -0.038 32.081 32.500 -0.635 0.000 0.719 19 K HN 0.100 nan 8.250 nan 0.000 0.440 20 A N 0.519 123.031 122.820 -0.514 0.000 1.933 20 A HA -0.132 4.188 4.320 -0.001 0.000 0.218 20 A C 2.105 179.517 177.584 -0.288 0.000 1.175 20 A CA 2.114 53.520 52.037 -1.051 0.000 0.628 20 A CB -0.929 17.313 19.000 -1.263 0.000 0.814 20 A HN 0.407 nan 8.150 nan 0.000 0.444 21 T N 0.049 114.501 114.554 -0.169 0.000 2.746 21 T HA -0.128 4.221 4.350 -0.001 0.000 0.267 21 T C 1.823 176.525 174.700 0.004 0.000 1.039 21 T CA 1.468 63.520 62.100 -0.080 0.000 1.142 21 T CB -0.356 68.279 68.868 -0.390 0.000 0.866 21 T HN 0.321 nan 8.240 nan 0.000 0.444 22 L N 0.191 121.386 121.223 -0.046 0.000 2.042 22 L HA -0.047 4.293 4.340 -0.001 0.000 0.210 22 L C 2.051 178.987 176.870 0.111 0.000 1.076 22 L CA 1.682 56.540 54.840 0.029 0.000 0.749 22 L CB -0.750 41.335 42.059 0.044 0.000 0.893 22 L HN 0.346 nan 8.230 nan 0.000 0.432 23 Y N -1.993 118.200 120.300 -0.177 0.000 2.274 23 Y HA -0.265 4.285 4.550 -0.001 0.000 0.290 23 Y C 2.178 178.134 175.900 0.093 0.000 1.145 23 Y CA 1.332 59.266 58.100 -0.277 0.000 1.203 23 Y CB -0.212 37.663 38.460 -0.975 0.000 0.984 23 Y HN 0.159 nan 8.280 nan 0.000 0.533 24 F N -0.720 119.391 119.950 0.268 0.000 2.128 24 F HA -0.225 4.302 4.527 -0.001 0.000 0.295 24 F C 2.150 178.111 175.800 0.268 0.000 1.100 24 F CA 1.125 59.343 58.000 0.363 0.000 1.260 24 F CB -0.464 38.657 39.000 0.201 0.000 1.009 24 F HN -0.058 nan 8.300 nan 0.000 0.476 25 L N -0.661 120.794 121.223 0.387 0.000 1.976 25 L HA -0.242 4.097 4.340 -0.001 0.000 0.209 25 L C 2.402 179.527 176.870 0.424 0.000 1.071 25 L CA 1.126 56.197 54.840 0.386 0.000 0.746 25 L CB -0.801 41.428 42.059 0.283 0.000 0.890 25 L HN -0.037 nan 8.230 nan 0.000 0.432 26 V N -0.047 120.017 119.914 0.251 0.000 2.287 26 V HA -0.318 3.801 4.120 -0.001 0.000 0.248 26 V C 2.404 178.635 176.094 0.229 0.000 1.053 26 V CA 1.793 64.195 62.300 0.170 0.000 1.027 26 V CB -0.466 31.333 31.823 -0.040 0.000 0.646 26 V HN 0.348 nan 8.190 nan 0.000 0.447 27 L N 1.212 122.592 121.223 0.262 0.000 2.079 27 L HA -0.061 4.278 4.340 -0.001 0.000 0.210 27 L C 2.290 179.320 176.870 0.267 0.000 1.081 27 L CA 2.406 57.413 54.840 0.278 0.000 0.752 27 L CB -1.257 41.016 42.059 0.356 0.000 0.896 27 L HN 0.278 nan 8.230 nan 0.000 0.433 28 G N -1.457 107.531 108.800 0.312 0.000 2.402 28 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.216 28 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.216 28 G C 1.423 176.477 174.900 0.257 0.000 1.162 28 G CA 0.818 46.092 45.100 0.291 0.000 0.777 28 G HN 0.428 nan 8.290 nan 0.000 0.539 29 F N 0.498 120.633 119.950 0.308 0.000 2.367 29 F HA 0.213 4.739 4.527 -0.001 0.000 0.298 29 F C 2.522 178.416 175.800 0.156 0.000 1.094 29 F CA 0.357 58.477 58.000 0.199 0.000 1.409 29 F CB -0.027 39.094 39.000 0.201 0.000 1.064 29 F HN 0.015 nan 8.300 nan 0.000 0.528 30 L N -0.584 120.818 121.223 0.299 0.000 2.017 30 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 30 L C 2.765 179.735 176.870 0.168 0.000 1.073 30 L CA 1.200 56.182 54.840 0.237 0.000 0.745 30 L CB -1.066 41.108 42.059 0.192 0.000 0.894 30 L HN 0.125 nan 8.230 nan 0.000 0.432 31 A N 0.077 122.977 122.820 0.133 0.000 1.940 31 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 31 A C 2.214 179.814 177.584 0.027 0.000 1.176 31 A CA 1.791 53.872 52.037 0.073 0.000 0.631 31 A CB -0.693 18.350 19.000 0.071 0.000 0.814 31 A HN 0.352 nan 8.150 nan 0.000 0.446 32 L N -0.130 121.062 121.223 -0.053 0.000 2.046 32 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 32 L C 2.173 179.014 176.870 -0.048 0.000 1.077 32 L CA 1.725 56.398 54.840 -0.279 0.000 0.747 32 L CB -0.387 41.175 42.059 -0.827 0.000 0.896 32 L HN 0.437 nan 8.230 nan 0.000 0.432 33 I N -1.705 118.931 120.570 0.112 0.000 2.202 33 I HA -0.240 3.929 4.170 -0.001 0.000 0.242 33 I C 2.302 178.524 176.117 0.174 0.000 1.091 33 I CA 1.125 62.545 61.300 0.201 0.000 1.368 33 I CB -0.353 37.810 38.000 0.273 0.000 1.058 33 I HN 0.066 nan 8.210 nan 0.000 0.410 34 V N 1.027 121.038 119.914 0.161 0.000 2.343 34 V HA -0.201 3.918 4.120 -0.001 0.000 0.247 34 V C 2.564 178.836 176.094 0.296 0.000 1.051 34 V CA 2.199 64.616 62.300 0.195 0.000 1.036 34 V CB -1.374 30.547 31.823 0.163 0.000 0.654 34 V HN 0.573 nan 8.190 nan 0.000 0.451 35 G N -0.958 107.969 108.800 0.211 0.000 2.422 35 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.218 35 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.218 35 G C 1.788 176.945 174.900 0.428 0.000 1.140 35 G CA 1.031 46.278 45.100 0.245 0.000 0.775 35 G HN 0.505 nan 8.290 nan 0.000 0.545 36 S N 0.313 116.189 115.700 0.293 0.000 2.453 36 S HA 0.078 4.547 4.470 -0.001 0.000 0.231 36 S C 2.215 176.987 174.600 0.286 0.000 1.005 36 S CA 0.195 58.596 58.200 0.336 0.000 0.949 36 S CB -0.131 63.241 63.200 0.285 0.000 0.774 36 S HN 0.324 nan 8.310 nan 0.000 0.510 37 L N -0.109 121.247 121.223 0.220 0.000 2.127 37 L HA -0.119 4.220 4.340 -0.001 0.000 0.211 37 L C 1.653 178.499 176.870 -0.039 0.000 1.089 37 L CA 1.295 56.153 54.840 0.030 0.000 0.757 37 L CB -0.560 41.398 42.059 -0.167 0.000 0.899 37 L HN 0.327 nan 8.230 nan 0.000 0.434 38 F N -0.452 119.543 119.950 0.075 0.000 2.661 38 F HA 0.041 4.568 4.527 -0.001 0.000 0.298 38 F C 2.368 178.111 175.800 -0.096 0.000 1.137 38 F CA 0.652 58.629 58.000 -0.037 0.000 1.454 38 F CB -0.963 37.971 39.000 -0.109 0.000 1.103 38 F HN -0.028 nan 8.300 nan 0.000 0.577 39 G N 1.385 110.198 108.800 0.022 0.000 2.480 39 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.216 39 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.216 39 G C -0.558 174.309 174.900 -0.056 0.000 1.200 39 G CA 0.758 45.781 45.100 -0.129 0.000 0.782 39 G HN 0.203 nan 8.290 nan 0.000 0.554 40 P HA -0.115 nan 4.420 nan 0.000 0.216 40 P C 1.410 178.591 177.300 -0.199 0.000 1.153 40 P CA 0.989 63.984 63.100 -0.175 0.000 0.858 40 P CB -0.167 31.370 31.700 -0.272 0.000 0.789 41 F N -0.674 119.193 119.950 -0.139 0.000 2.186 41 F HA -0.131 4.395 4.527 -0.001 0.000 0.299 41 F C 2.478 178.351 175.800 0.123 0.000 1.090 41 F CA 1.346 59.259 58.000 -0.144 0.000 1.307 41 F CB -1.209 37.487 39.000 -0.506 0.000 1.019 41 F HN -0.046 nan 8.300 nan 0.000 0.489 42 Q N -0.162 119.824 119.800 0.310 0.000 2.167 42 Q HA -0.098 4.241 4.340 -0.001 0.000 0.202 42 Q C 2.464 178.653 176.000 0.315 0.000 0.970 42 Q CA 1.180 57.215 55.803 0.386 0.000 0.855 42 Q CB -0.332 28.490 28.738 0.139 0.000 0.911 42 Q HN 0.441 nan 8.270 nan 0.000 0.438 43 A N 0.676 123.570 122.820 0.124 0.000 1.897 43 A HA -0.109 4.210 4.320 -0.001 0.000 0.215 43 A C 2.018 179.661 177.584 0.098 0.000 1.181 43 A CA 0.832 52.910 52.037 0.068 0.000 0.620 43 A CB -0.559 18.407 19.000 -0.056 0.000 0.821 43 A HN 0.267 nan 8.150 nan 0.000 0.443 44 L N -0.116 121.139 121.223 0.053 0.000 2.042 44 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 44 L C 2.554 179.481 176.870 0.096 0.000 1.076 44 L CA 1.772 56.633 54.840 0.035 0.000 0.749 44 L CB -0.737 41.307 42.059 -0.025 0.000 0.893 44 L HN 0.602 nan 8.230 nan 0.000 0.432 45 N N 0.090 118.905 118.700 0.193 0.000 2.061 45 N HA -0.281 4.459 4.740 -0.001 0.000 0.193 45 N C 1.720 177.188 175.510 -0.070 0.000 1.030 45 N CA 1.757 54.884 53.050 0.128 0.000 0.856 45 N CB -0.349 38.267 38.487 0.215 0.000 1.023 45 N HN 0.272 nan 8.380 nan 0.000 0.424 46 Y N -0.874 119.449 120.300 0.039 0.000 2.578 46 Y HA 0.235 4.784 4.550 -0.001 0.000 0.297 46 Y C 1.999 177.883 175.900 -0.027 0.000 1.176 46 Y CA 0.639 58.732 58.100 -0.010 0.000 1.315 46 Y CB 0.010 38.461 38.460 -0.015 0.000 1.031 46 Y HN 0.230 nan 8.280 nan 0.000 0.524 47 G N -1.068 107.766 108.800 0.057 0.000 3.337 47 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.246 47 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.246 47 G C 0.617 175.499 174.900 -0.028 0.000 1.131 47 G CA 0.231 45.335 45.100 0.007 0.000 0.773 47 G HN 0.523 nan 8.290 nan 0.000 0.544 48 N N -1.541 117.133 118.700 -0.042 0.000 2.909 48 N HA -0.196 4.543 4.740 -0.001 0.000 0.242 48 N C -0.351 175.140 175.510 -0.032 0.000 0.975 48 N CA 0.148 53.165 53.050 -0.055 0.000 0.921 48 N CB -0.689 37.767 38.487 -0.052 0.000 1.112 48 N HN 0.100 nan 8.380 nan 0.000 0.581 49 V N 1.173 121.085 119.914 -0.003 0.000 2.439 49 V HA 0.251 4.370 4.120 -0.001 0.000 0.282 49 V C 0.100 176.247 176.094 0.088 0.000 1.039 49 V CA -0.316 61.996 62.300 0.019 0.000 0.913 49 V CB 1.623 33.448 31.823 0.003 0.000 0.983 49 V HN 0.109 nan 8.190 nan 0.000 0.460 50 D N 3.879 124.344 120.400 0.109 0.000 2.473 50 D HA 0.489 5.128 4.640 -0.001 0.000 0.226 50 D C 0.477 176.927 176.300 0.250 0.000 1.089 50 D CA -0.293 53.849 54.000 0.236 0.000 0.883 50 D CB 1.636 42.536 40.800 0.166 0.000 1.029 50 D HN 0.592 nan 8.370 nan 0.000 0.517 51 A N 3.537 126.538 122.820 0.302 0.000 2.387 51 A HA 0.047 4.366 4.320 -0.001 0.000 0.234 51 A C 1.003 178.747 177.584 0.266 0.000 1.253 51 A CA -0.093 52.078 52.037 0.223 0.000 0.894 51 A CB -0.300 18.742 19.000 0.070 0.000 0.963 51 A HN 0.550 nan 8.150 nan 0.000 0.508 52 Y N 1.279 121.727 120.300 0.247 0.000 2.207 52 Y HA -0.128 4.422 4.550 -0.001 0.000 0.287 52 Y C -0.093 175.831 175.900 0.040 0.000 1.156 52 Y CA 2.137 60.297 58.100 0.101 0.000 1.182 52 Y CB -1.098 37.403 38.460 0.069 0.000 0.979 52 Y HN 0.362 nan 8.280 nan 0.000 0.521 53 P HA -0.202 nan 4.420 nan 0.000 0.218 53 P C 1.885 179.212 177.300 0.044 0.000 1.148 53 P CA 1.319 64.481 63.100 0.105 0.000 0.822 53 P CB 0.005 31.768 31.700 0.105 0.000 0.784 54 L N -0.346 120.913 121.223 0.059 0.000 2.072 54 L HA -0.078 4.261 4.340 -0.001 0.000 0.205 54 L C 2.272 179.121 176.870 -0.034 0.000 1.079 54 L CA 1.534 56.401 54.840 0.044 0.000 0.752 54 L CB -1.447 40.675 42.059 0.105 0.000 0.906 54 L HN -0.059 nan 8.230 nan 0.000 0.436 55 L N 0.623 121.746 121.223 -0.167 0.000 2.056 55 L HA -0.168 4.171 4.340 -0.001 0.000 0.207 55 L C 2.559 179.226 176.870 -0.338 0.000 1.078 55 L CA 1.754 56.282 54.840 -0.519 0.000 0.749 55 L CB -0.888 40.435 42.059 -1.228 0.000 0.901 55 L HN 0.112 nan 8.230 nan 0.000 0.433 56 K N 0.230 120.507 120.400 -0.205 0.000 2.147 56 K HA -0.224 4.095 4.320 -0.001 0.000 0.205 56 K C 2.404 178.946 176.600 -0.097 0.000 1.049 56 K CA 1.644 57.851 56.287 -0.133 0.000 0.936 56 K CB -0.181 32.298 32.500 -0.035 0.000 0.722 56 K HN 0.420 nan 8.250 nan 0.000 0.446 57 R N -0.133 120.326 120.500 -0.068 0.000 2.090 57 R HA -0.057 4.282 4.340 -0.001 0.000 0.228 57 R C 2.084 178.355 176.300 -0.047 0.000 1.110 57 R CA 0.797 56.874 56.100 -0.038 0.000 0.973 57 R CB -0.022 30.269 30.300 -0.016 0.000 0.869 57 R HN -0.001 nan 8.270 nan 0.000 0.440 58 L N 0.174 121.348 121.223 -0.081 0.000 2.084 58 L HA 0.085 4.424 4.340 -0.001 0.000 0.202 58 L C 0.728 177.551 176.870 -0.078 0.000 1.074 58 L CA 1.317 56.112 54.840 -0.076 0.000 0.757 58 L CB -0.131 41.870 42.059 -0.097 0.000 0.918 58 L HN 0.105 nan 8.230 nan 0.000 0.444 59 L N 1.721 122.847 121.223 -0.162 0.000 2.426 59 L HA 0.234 4.573 4.340 -0.001 0.000 0.255 59 L C -1.312 175.407 176.870 -0.252 0.000 1.080 59 L CA -1.136 53.607 54.840 -0.163 0.000 0.960 59 L CB 0.994 42.867 42.059 -0.310 0.000 1.326 59 L HN 0.016 nan 8.230 nan 0.000 0.441 60 P HA -0.261 nan 4.420 nan 0.000 0.216 60 P C 1.544 178.819 177.300 -0.042 0.000 1.150 60 P CA 1.564 64.642 63.100 -0.037 0.000 0.843 60 P CB -0.035 31.689 31.700 0.041 0.000 0.787 61 F N 0.118 120.077 119.950 0.014 0.000 2.408 61 F HA 0.038 4.564 4.527 -0.001 0.000 0.300 61 F C 0.679 176.499 175.800 0.034 0.000 1.090 61 F CA -0.190 57.822 58.000 0.021 0.000 1.427 61 F CB -1.821 37.188 39.000 0.015 0.000 1.070 61 F HN -0.371 nan 8.300 nan 0.000 0.549 62 V N 3.424 122.834 119.914 -0.840 0.000 2.446 62 V HA -0.024 4.095 4.120 -0.001 0.000 0.276 62 V C 0.820 176.811 176.094 -0.171 0.000 1.030 62 V CA -0.020 61.959 62.300 -0.534 0.000 1.033 62 V CB 0.877 32.405 31.823 -0.491 0.000 0.993 62 V HN 0.377 nan 8.190 nan 0.000 0.477 63 Q N 2.816 122.584 119.800 -0.053 0.000 2.391 63 Q HA 0.175 4.514 4.340 -0.001 0.000 0.211 63 Q C 0.773 176.807 176.000 0.057 0.000 0.908 63 Q CA 0.566 56.387 55.803 0.030 0.000 0.920 63 Q CB 0.945 29.736 28.738 0.088 0.000 1.056 63 Q HN 0.928 nan 8.270 nan 0.000 0.523 64 S N -2.275 113.441 115.700 0.027 0.000 2.661 64 S HA 0.230 4.699 4.470 -0.001 0.000 0.268 64 S C 0.074 174.587 174.600 -0.146 0.000 1.162 64 S CA -0.733 57.478 58.200 0.018 0.000 0.817 64 S CB 0.114 63.407 63.200 0.155 0.000 1.141 64 S HN 0.052 nan 8.310 nan 0.000 0.477 65 Y N 0.918 120.863 120.300 -0.591 0.000 2.224 65 Y HA -0.037 4.512 4.550 -0.001 0.000 0.289 65 Y C 1.790 177.295 175.900 -0.657 0.000 1.146 65 Y CA 1.765 59.229 58.100 -1.060 0.000 1.182 65 Y CB -0.536 36.808 38.460 -1.861 0.000 0.983 65 Y HN 0.744 nan 8.280 nan 0.000 0.524 66 Y N 0.003 120.207 120.300 -0.160 0.000 2.314 66 Y HA -0.203 4.346 4.550 -0.001 0.000 0.293 66 Y C 2.777 178.521 175.900 -0.261 0.000 1.129 66 Y CA 1.555 59.556 58.100 -0.164 0.000 1.201 66 Y CB -0.627 37.818 38.460 -0.024 0.000 0.999 66 Y HN 0.212 nan 8.280 nan 0.000 0.541 67 Q N 0.357 120.084 119.800 -0.123 0.000 2.079 67 Q HA -0.118 4.221 4.340 -0.001 0.000 0.200 67 Q C 2.471 178.274 176.000 -0.329 0.000 0.974 67 Q CA 1.569 57.250 55.803 -0.203 0.000 0.840 67 Q CB -0.513 28.154 28.738 -0.118 0.000 0.898 67 Q HN 0.504 nan 8.270 nan 0.000 0.430 68 G N 1.131 109.702 108.800 -0.382 0.000 2.432 68 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.219 68 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.219 68 G C 1.315 175.828 174.900 -0.646 0.000 1.135 68 G CA 0.773 45.460 45.100 -0.687 0.000 0.767 68 G HN 0.384 nan 8.290 nan 0.000 0.550 69 L N 0.846 121.778 121.223 -0.485 0.000 2.156 69 L HA 0.098 4.437 4.340 -0.001 0.000 0.208 69 L C 2.809 179.565 176.870 -0.189 0.000 1.095 69 L CA 2.063 56.707 54.840 -0.326 0.000 0.770 69 L CB -0.709 41.152 42.059 -0.331 0.000 0.914 69 L HN 0.136 nan 8.230 nan 0.000 0.439 70 T N -0.376 114.042 114.554 -0.226 0.000 2.737 70 T HA -0.121 4.228 4.350 -0.001 0.000 0.265 70 T C 1.940 176.524 174.700 -0.194 0.000 1.038 70 T CA 1.660 63.653 62.100 -0.179 0.000 1.144 70 T CB -0.257 68.461 68.868 -0.250 0.000 0.866 70 T HN 0.269 nan 8.240 nan 0.000 0.434 71 L N 0.043 121.076 121.223 -0.317 0.000 2.083 71 L HA -0.121 4.219 4.340 -0.001 0.000 0.209 71 L C 2.559 179.286 176.870 -0.239 0.000 1.083 71 L CA 1.419 56.066 54.840 -0.321 0.000 0.752 71 L CB -0.530 41.197 42.059 -0.552 0.000 0.899 71 L HN 0.330 nan 8.230 nan 0.000 0.433 72 H N 0.034 118.886 119.070 -0.363 0.000 2.270 72 H HA -0.131 4.424 4.556 -0.001 0.000 0.299 72 H C 2.097 177.322 175.328 -0.171 0.000 1.077 72 H CA 1.882 57.819 56.048 -0.186 0.000 1.294 72 H CB -0.428 29.255 29.762 -0.133 0.000 1.371 72 H HN 0.193 nan 8.280 nan 0.000 0.491 73 G N -0.309 108.341 108.800 -0.251 0.000 2.418 73 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.217 73 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.217 73 G C 1.878 176.631 174.900 -0.245 0.000 1.158 73 G CA 1.170 45.993 45.100 -0.461 0.000 0.771 73 G HN 0.384 nan 8.290 nan 0.000 0.545 74 V N 0.953 120.823 119.914 -0.074 0.000 2.270 74 V HA -0.101 4.018 4.120 -0.001 0.000 0.245 74 V C 2.903 178.943 176.094 -0.089 0.000 1.043 74 V CA 1.481 63.784 62.300 0.006 0.000 1.014 74 V CB -0.452 31.387 31.823 0.027 0.000 0.645 74 V HN 0.327 nan 8.190 nan 0.000 0.447 75 L N -0.254 120.893 121.223 -0.126 0.000 2.141 75 L HA -0.131 4.209 4.340 -0.001 0.000 0.209 75 L C 2.166 178.974 176.870 -0.103 0.000 1.094 75 L CA 1.729 56.503 54.840 -0.110 0.000 0.763 75 L CB -0.605 41.412 42.059 -0.070 0.000 0.908 75 L HN 0.451 nan 8.230 nan 0.000 0.437 76 N N -0.367 118.214 118.700 -0.199 0.000 2.245 76 N HA -0.009 4.731 4.740 -0.001 0.000 0.185 76 N C 1.883 177.238 175.510 -0.259 0.000 1.036 76 N CA 0.829 53.742 53.050 -0.228 0.000 0.857 76 N CB -0.030 38.214 38.487 -0.404 0.000 1.015 76 N HN 0.188 nan 8.380 nan 0.000 0.436 77 A N 0.585 123.160 122.820 -0.408 0.000 2.016 77 A HA 0.084 4.404 4.320 -0.001 0.000 0.217 77 A C 1.846 179.138 177.584 -0.487 0.000 1.162 77 A CA 0.850 52.481 52.037 -0.677 0.000 0.662 77 A CB -0.209 18.436 19.000 -0.591 0.000 0.812 77 A HN 0.194 nan 8.150 nan 0.000 0.450 78 I N -1.915 118.608 120.570 -0.078 0.000 3.194 78 I HA -0.016 4.153 4.170 -0.001 0.000 0.271 78 I C 2.094 178.320 176.117 0.181 0.000 1.150 78 I CA 0.388 61.781 61.300 0.156 0.000 1.440 78 I CB -0.044 38.101 38.000 0.241 0.000 1.276 78 I HN 0.069 nan 8.210 nan 0.000 0.457 79 V N 1.208 121.139 119.914 0.028 0.000 2.273 79 V HA -0.246 3.874 4.120 -0.001 0.000 0.242 79 V C 2.311 178.525 176.094 0.199 0.000 1.035 79 V CA 1.849 64.191 62.300 0.071 0.000 1.013 79 V CB -0.640 31.069 31.823 -0.190 0.000 0.652 79 V HN 0.378 nan 8.190 nan 0.000 0.452 80 F N 2.439 122.349 119.950 -0.067 0.000 2.095 80 F HA -0.273 4.253 4.527 -0.001 0.000 0.298 80 F C 2.634 178.375 175.800 -0.098 0.000 1.104 80 F CA 2.492 60.415 58.000 -0.129 0.000 1.232 80 F CB -1.015 37.823 39.000 -0.271 0.000 0.987 80 F HN 0.320 nan 8.300 nan 0.000 0.475 81 T N -1.626 112.628 114.554 -0.500 0.000 2.746 81 T HA -0.261 4.088 4.350 -0.001 0.000 0.267 81 T C 1.982 176.580 174.700 -0.169 0.000 1.039 81 T CA 1.511 63.262 62.100 -0.582 0.000 1.142 81 T CB -0.887 67.544 68.868 -0.727 0.000 0.866 81 T HN 0.609 nan 8.240 nan 0.000 0.444 82 Q N 0.660 120.532 119.800 0.120 0.000 2.079 82 Q HA 0.000 4.340 4.340 -0.001 0.000 0.200 82 Q C 2.403 178.514 176.000 0.185 0.000 0.974 82 Q CA 1.174 57.166 55.803 0.314 0.000 0.840 82 Q CB -0.321 28.650 28.738 0.387 0.000 0.898 82 Q HN 0.607 nan 8.270 nan 0.000 0.430 83 L N -0.159 121.190 121.223 0.209 0.000 2.141 83 L HA -0.131 4.208 4.340 -0.001 0.000 0.209 83 L C 2.325 179.271 176.870 0.127 0.000 1.094 83 L CA 0.710 55.721 54.840 0.285 0.000 0.763 83 L CB -0.431 41.856 42.059 0.380 0.000 0.908 83 L HN 0.284 nan 8.230 nan 0.000 0.437 84 F N 0.973 120.786 119.950 -0.229 0.000 2.146 84 F HA -0.138 4.389 4.527 -0.001 0.000 0.298 84 F C 2.432 178.083 175.800 -0.248 0.000 1.096 84 F CA 1.046 58.856 58.000 -0.316 0.000 1.275 84 F CB -0.278 38.315 39.000 -0.679 0.000 1.008 84 F HN -0.022 nan 8.300 nan 0.000 0.480 85 A N -0.036 122.598 122.820 -0.310 0.000 1.877 85 A HA -0.223 4.096 4.320 -0.001 0.000 0.216 85 A C 2.155 179.612 177.584 -0.211 0.000 1.186 85 A CA 1.766 53.538 52.037 -0.443 0.000 0.620 85 A CB -0.909 17.680 19.000 -0.685 0.000 0.822 85 A HN 0.565 nan 8.150 nan 0.000 0.443 86 Q N -0.777 118.999 119.800 -0.040 0.000 2.170 86 Q HA -0.103 4.237 4.340 -0.001 0.000 0.203 86 Q C 2.357 178.141 176.000 -0.360 0.000 0.976 86 Q CA 1.280 57.045 55.803 -0.064 0.000 0.858 86 Q CB -0.331 28.215 28.738 -0.319 0.000 0.907 86 Q HN 0.709 nan 8.270 nan 0.000 0.433 87 A N 0.614 123.209 122.820 -0.375 0.000 1.872 87 A HA -0.121 4.198 4.320 -0.001 0.000 0.214 87 A C 1.921 179.378 177.584 -0.212 0.000 1.187 87 A CA 0.895 52.754 52.037 -0.297 0.000 0.614 87 A CB -0.208 18.696 19.000 -0.160 0.000 0.826 87 A HN 0.201 nan 8.150 nan 0.000 0.442 88 I N -0.424 119.925 120.570 -0.368 0.000 2.277 88 I HA -0.087 4.082 4.170 -0.001 0.000 0.243 88 I C 1.679 177.706 176.117 -0.150 0.000 1.094 88 I CA 1.117 62.237 61.300 -0.300 0.000 1.393 88 I CB -1.010 36.627 38.000 -0.605 0.000 1.078 88 I HN 0.248 nan 8.210 nan 0.000 0.417 89 M N -0.139 119.354 119.600 -0.179 0.000 2.691 89 M HA 0.054 4.534 4.480 -0.001 0.000 0.227 89 M C 1.577 178.066 176.300 0.316 0.000 1.120 89 M CA 0.395 55.672 55.300 -0.037 0.000 1.034 89 M CB -0.668 31.689 32.600 -0.404 0.000 1.675 89 M HN 0.016 nan 8.290 nan 0.000 0.514 90 V N -2.183 117.825 119.914 0.156 0.000 3.029 90 V HA -0.066 4.053 4.120 -0.001 0.000 0.230 90 V C 1.769 177.924 176.094 0.101 0.000 1.254 90 V CA 0.254 62.616 62.300 0.103 0.000 1.276 90 V CB -0.440 31.372 31.823 -0.019 0.000 1.080 90 V HN 0.217 nan 8.190 nan 0.000 0.495 91 Y N 1.266 121.551 120.300 -0.026 0.000 2.163 91 Y HA -0.128 4.422 4.550 -0.001 0.000 0.288 91 Y C 2.153 178.096 175.900 0.072 0.000 1.136 91 Y CA 1.759 59.865 58.100 0.010 0.000 1.147 91 Y CB -0.220 38.233 38.460 -0.012 0.000 0.987 91 Y HN 0.108 nan 8.280 nan 0.000 0.509 92 L N 0.669 121.928 121.223 0.060 0.000 1.994 92 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 92 L C -0.267 176.620 176.870 0.028 0.000 1.071 92 L CA 1.668 56.566 54.840 0.097 0.000 0.745 92 L CB -2.140 40.037 42.059 0.196 0.000 0.892 92 L HN 0.216 nan 8.230 nan 0.000 0.431 93 P HA -0.168 nan 4.420 nan 0.000 0.217 93 P C 1.414 178.669 177.300 -0.075 0.000 1.150 93 P CA 1.896 64.949 63.100 -0.079 0.000 0.832 93 P CB 0.039 31.715 31.700 -0.040 0.000 0.787 94 A N 0.806 123.594 122.820 -0.054 0.000 1.858 94 A HA -0.198 4.122 4.320 -0.001 0.000 0.216 94 A C 2.365 179.909 177.584 -0.067 0.000 1.190 94 A CA 1.605 53.619 52.037 -0.038 0.000 0.617 94 A CB -1.000 17.992 19.000 -0.014 0.000 0.827 94 A HN -0.012 nan 8.150 nan 0.000 0.443 95 R N -0.167 120.226 120.500 -0.180 0.000 2.115 95 R HA -0.090 4.249 4.340 -0.001 0.000 0.230 95 R C 2.004 178.320 176.300 0.027 0.000 1.111 95 R CA 1.375 57.402 56.100 -0.121 0.000 0.976 95 R CB -0.938 29.194 30.300 -0.279 0.000 0.870 95 R HN 0.851 nan 8.270 nan 0.000 0.445 96 E N 0.706 120.889 120.200 -0.028 0.000 2.077 96 E HA -0.107 4.243 4.350 -0.001 0.000 0.193 96 E C 1.625 178.145 176.600 -0.133 0.000 0.989 96 E CA 0.877 57.152 56.400 -0.207 0.000 0.800 96 E CB 0.061 29.480 29.700 -0.468 0.000 0.746 96 E HN 0.244 nan 8.360 nan 0.000 0.452 97 L N 0.365 121.526 121.223 -0.103 0.000 2.492 97 L HA 0.034 4.374 4.340 -0.001 0.000 0.223 97 L C 0.758 177.692 176.870 0.106 0.000 1.132 97 L CA 0.167 54.996 54.840 -0.019 0.000 0.850 97 L CB -0.325 41.708 42.059 -0.043 0.000 0.966 97 L HN 0.220 nan 8.230 nan 0.000 0.454 98 N N 0.735 119.482 118.700 0.078 0.000 2.727 98 N HA -0.226 4.513 4.740 -0.001 0.000 0.249 98 N C -0.488 175.105 175.510 0.140 0.000 1.048 98 N CA 0.812 53.936 53.050 0.123 0.000 0.714 98 N CB -0.727 37.841 38.487 0.135 0.000 0.959 98 N HN 0.309 nan 8.380 nan 0.000 0.544 99 M N 0.078 119.753 119.600 0.124 0.000 2.535 99 M HA 0.318 4.798 4.480 -0.001 0.000 0.314 99 M C 0.362 176.730 176.300 0.113 0.000 1.153 99 M CA -0.783 54.592 55.300 0.125 0.000 0.924 99 M CB 2.214 34.901 32.600 0.146 0.000 1.710 99 M HN 0.143 nan 8.290 nan 0.000 0.451 100 R N 2.656 123.219 120.500 0.106 0.000 2.265 100 R HA 0.446 4.785 4.340 -0.001 0.000 0.314 100 R C -2.573 173.783 176.300 0.093 0.000 1.053 100 R CA -1.264 54.899 56.100 0.105 0.000 0.931 100 R CB 0.655 31.010 30.300 0.091 0.000 1.024 100 R HN 0.258 nan 8.270 nan 0.000 0.457 101 P HA -0.025 nan 4.420 nan 0.000 0.272 101 P C -1.029 176.322 177.300 0.085 0.000 1.230 101 P CA -0.431 62.714 63.100 0.076 0.000 0.788 101 P CB 0.479 32.213 31.700 0.056 0.000 0.949 102 N N 2.428 121.187 118.700 0.098 0.000 2.423 102 N HA -0.029 4.710 4.740 -0.001 0.000 0.275 102 N C 0.836 176.411 175.510 0.109 0.000 1.283 102 N CA 0.207 53.325 53.050 0.113 0.000 0.932 102 N CB 0.195 38.770 38.487 0.147 0.000 1.185 102 N HN 0.225 nan 8.380 nan 0.000 0.483 103 M N 2.752 122.422 119.600 0.118 0.000 2.296 103 M HA -0.022 4.458 4.480 -0.001 0.000 0.265 103 M C 1.972 178.407 176.300 0.226 0.000 1.064 103 M CA 0.681 56.072 55.300 0.151 0.000 1.109 103 M CB -1.357 31.356 32.600 0.188 0.000 1.396 103 M HN 0.594 nan 8.290 nan 0.000 0.430 104 G N 0.016 108.927 108.800 0.184 0.000 2.408 104 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.217 104 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.217 104 G C 1.690 176.708 174.900 0.197 0.000 1.150 104 G CA 0.317 45.531 45.100 0.190 0.000 0.776 104 G HN 0.408 nan 8.290 nan 0.000 0.542 105 L N -0.465 120.848 121.223 0.149 0.000 2.131 105 L HA 0.117 4.456 4.340 -0.001 0.000 0.206 105 L C 2.900 179.870 176.870 0.166 0.000 1.087 105 L CA 0.557 55.478 54.840 0.135 0.000 0.767 105 L CB -0.308 41.807 42.059 0.094 0.000 0.917 105 L HN 0.223 nan 8.230 nan 0.000 0.441 106 M N -0.903 118.773 119.600 0.126 0.000 2.086 106 M HA -0.255 4.224 4.480 -0.001 0.000 0.261 106 M C 2.142 178.516 176.300 0.123 0.000 1.067 106 M CA 2.286 57.626 55.300 0.067 0.000 1.116 106 M CB -0.220 32.327 32.600 -0.088 0.000 1.348 106 M HN 0.230 nan 8.290 nan 0.000 0.407 107 W N -0.142 121.298 121.300 0.235 0.000 2.425 107 W HA -0.189 4.471 4.660 -0.001 0.000 0.277 107 W C 2.051 178.829 176.519 0.431 0.000 1.231 107 W CA 0.256 57.769 57.345 0.280 0.000 1.248 107 W CB -0.244 29.340 29.460 0.206 0.000 1.117 107 W HN 0.260 nan 8.180 nan 0.000 0.568 108 L N 0.877 122.415 121.223 0.524 0.000 2.083 108 L HA -0.194 4.145 4.340 -0.001 0.000 0.209 108 L C 2.555 179.664 176.870 0.399 0.000 1.083 108 L CA 2.558 57.656 54.840 0.430 0.000 0.752 108 L CB -1.101 41.112 42.059 0.257 0.000 0.899 108 L HN -0.043 nan 8.230 nan 0.000 0.433 109 S N -2.040 113.876 115.700 0.359 0.000 2.423 109 S HA -0.242 4.228 4.470 -0.001 0.000 0.231 109 S C 1.850 176.668 174.600 0.362 0.000 1.014 109 S CA 0.835 59.241 58.200 0.343 0.000 0.965 109 S CB -1.348 62.058 63.200 0.343 0.000 0.785 109 S HN 0.680 nan 8.310 nan 0.000 0.495 110 W N 1.096 122.479 121.300 0.138 0.000 2.409 110 W HA 0.139 4.798 4.660 -0.001 0.000 0.299 110 W C 1.586 178.048 176.519 -0.094 0.000 1.203 110 W CA 0.742 57.875 57.345 -0.353 0.000 1.298 110 W CB -0.517 28.571 29.460 -0.619 0.000 1.127 110 W HN 0.291 nan 8.180 nan 0.000 0.528 111 W N 0.032 121.490 121.300 0.264 0.000 2.374 111 W HA -0.159 4.500 4.660 -0.001 0.000 0.288 111 W C 2.493 179.043 176.519 0.051 0.000 1.218 111 W CA 1.433 58.866 57.345 0.147 0.000 1.245 111 W CB -0.651 28.966 29.460 0.261 0.000 1.126 111 W HN -0.179 nan 8.180 nan 0.000 0.545 112 M N -0.525 119.231 119.600 0.259 0.000 2.132 112 M HA -0.150 4.329 4.480 -0.001 0.000 0.263 112 M C 2.402 178.751 176.300 0.083 0.000 1.065 112 M CA 1.857 57.256 55.300 0.165 0.000 1.122 112 M CB -0.741 31.940 32.600 0.136 0.000 1.365 112 M HN 0.041 nan 8.290 nan 0.000 0.411 113 A N -0.023 122.786 122.820 -0.018 0.000 1.898 113 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 113 A C 1.993 179.587 177.584 0.016 0.000 1.181 113 A CA 1.382 53.429 52.037 0.016 0.000 0.620 113 A CB -0.970 17.957 19.000 -0.122 0.000 0.819 113 A HN 0.519 nan 8.150 nan 0.000 0.442 114 F N 0.452 120.107 119.950 -0.491 0.000 2.113 114 F HA -0.113 4.413 4.527 -0.001 0.000 0.297 114 F C 1.955 177.646 175.800 -0.181 0.000 1.103 114 F CA 1.798 59.473 58.000 -0.541 0.000 1.248 114 F CB -0.188 38.090 39.000 -1.202 0.000 0.999 114 F HN 0.161 nan 8.300 nan 0.000 0.475 115 I N 0.126 120.733 120.570 0.061 0.000 2.315 115 I HA -0.200 3.969 4.170 -0.001 0.000 0.248 115 I C 2.682 178.776 176.117 -0.038 0.000 1.117 115 I CA 1.367 62.710 61.300 0.072 0.000 1.404 115 I CB -1.125 37.025 38.000 0.249 0.000 1.071 115 I HN 0.322 nan 8.210 nan 0.000 0.419 116 G N 0.795 109.603 108.800 0.015 0.000 2.408 116 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 116 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 116 G C 1.620 176.461 174.900 -0.099 0.000 1.150 116 G CA 0.441 45.556 45.100 0.024 0.000 0.776 116 G HN 0.253 nan 8.290 nan 0.000 0.542 117 L N 0.864 121.988 121.223 -0.165 0.000 2.027 117 L HA 0.035 4.375 4.340 -0.001 0.000 0.206 117 L C 2.867 179.533 176.870 -0.339 0.000 1.074 117 L CA 1.461 56.098 54.840 -0.338 0.000 0.745 117 L CB -0.648 41.195 42.059 -0.359 0.000 0.898 117 L HN 0.067 nan 8.230 nan 0.000 0.433 118 V N -0.960 118.708 119.914 -0.410 0.000 2.295 118 V HA -0.284 3.836 4.120 -0.001 0.000 0.246 118 V C 2.557 178.514 176.094 -0.228 0.000 1.049 118 V CA 1.734 63.820 62.300 -0.357 0.000 1.024 118 V CB -0.549 31.021 31.823 -0.423 0.000 0.648 118 V HN 0.354 nan 8.190 nan 0.000 0.447 119 V N 0.248 120.057 119.914 -0.176 0.000 2.332 119 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 119 V C 2.605 178.593 176.094 -0.178 0.000 1.055 119 V CA 2.223 64.445 62.300 -0.132 0.000 1.038 119 V CB -1.044 30.750 31.823 -0.049 0.000 0.651 119 V HN 0.581 nan 8.190 nan 0.000 0.450 120 A N -0.492 122.211 122.820 -0.194 0.000 1.930 120 A HA 0.115 4.434 4.320 -0.001 0.000 0.215 120 A C 2.401 179.893 177.584 -0.154 0.000 1.176 120 A CA 1.449 53.372 52.037 -0.190 0.000 0.632 120 A CB -0.600 18.237 19.000 -0.271 0.000 0.819 120 A HN 0.535 nan 8.150 nan 0.000 0.445 121 A N 0.269 122.973 122.820 -0.192 0.000 1.940 121 A HA -0.089 4.230 4.320 -0.001 0.000 0.219 121 A C 2.127 179.601 177.584 -0.184 0.000 1.176 121 A CA 1.509 53.437 52.037 -0.182 0.000 0.631 121 A CB -0.664 18.213 19.000 -0.205 0.000 0.814 121 A HN 0.485 nan 8.150 nan 0.000 0.446 122 L N -0.616 120.487 121.223 -0.200 0.000 1.971 122 L HA -0.179 4.161 4.340 -0.001 0.000 0.215 122 L C -0.298 176.435 176.870 -0.229 0.000 1.072 122 L CA 2.002 56.716 54.840 -0.211 0.000 0.758 122 L CB -1.743 40.182 42.059 -0.223 0.000 0.889 122 L HN 0.242 nan 8.230 nan 0.000 0.433 123 P HA -0.150 nan 4.420 nan 0.000 0.217 123 P C 1.946 179.144 177.300 -0.169 0.000 1.150 123 P CA 1.283 64.205 63.100 -0.296 0.000 0.832 123 P CB 0.077 31.565 31.700 -0.354 0.000 0.787 124 L N -1.442 119.691 121.223 -0.150 0.000 2.017 124 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 124 L C 2.390 179.212 176.870 -0.081 0.000 1.073 124 L CA 1.397 56.152 54.840 -0.142 0.000 0.745 124 L CB -0.976 41.009 42.059 -0.123 0.000 0.894 124 L HN -0.056 nan 8.230 nan 0.000 0.432 125 L N -0.467 120.699 121.223 -0.096 0.000 2.275 125 L HA -0.118 4.221 4.340 -0.001 0.000 0.215 125 L C 2.308 179.195 176.870 0.029 0.000 1.119 125 L CA 0.739 55.530 54.840 -0.081 0.000 0.790 125 L CB -0.456 41.424 42.059 -0.298 0.000 0.919 125 L HN 0.222 nan 8.230 nan 0.000 0.443 126 A N -0.988 121.819 122.820 -0.022 0.000 2.307 126 A HA 0.019 4.338 4.320 -0.001 0.000 0.218 126 A C 0.990 178.616 177.584 0.071 0.000 1.228 126 A CA 0.265 52.311 52.037 0.015 0.000 0.857 126 A CB -0.360 18.608 19.000 -0.053 0.000 0.897 126 A HN 0.529 nan 8.150 nan 0.000 0.495 127 N N -0.628 118.119 118.700 0.079 0.000 2.747 127 N HA -0.146 4.594 4.740 -0.001 0.000 0.249 127 N C 0.301 175.981 175.510 0.283 0.000 1.107 127 N CA 1.141 54.273 53.050 0.137 0.000 0.707 127 N CB -0.913 37.690 38.487 0.194 0.000 1.054 127 N HN 0.494 nan 8.380 nan 0.000 0.555 128 E N -0.832 119.462 120.200 0.157 0.000 2.474 128 E HA 0.343 4.692 4.350 -0.001 0.000 0.195 128 E C 0.285 177.041 176.600 0.259 0.000 1.039 128 E CA 0.839 57.388 56.400 0.248 0.000 0.881 128 E CB 0.369 30.116 29.700 0.077 0.000 0.970 128 E HN 0.513 nan 8.360 nan 0.000 0.486 129 A N 0.754 123.525 122.820 -0.081 0.000 3.339 129 A HA 0.194 4.514 4.320 -0.001 0.000 0.219 129 A C -0.032 177.032 177.584 -0.866 0.000 0.974 129 A CA -0.458 51.298 52.037 -0.469 0.000 1.050 129 A CB -0.179 18.409 19.000 -0.687 0.000 1.271 129 A HN -0.117 nan 8.150 nan 0.000 0.565 130 T N 1.991 115.721 114.554 -1.373 0.000 4.104 130 T HA 0.297 4.646 4.350 -0.001 0.000 0.285 130 T C 1.073 175.105 174.700 -1.112 0.000 1.346 130 T CA 0.799 62.190 62.100 -1.181 0.000 1.158 130 T CB -0.523 67.642 68.868 -1.171 0.000 1.290 130 T HN 1.023 nan 8.240 nan 0.000 0.975 131 V N -0.220 119.255 119.914 -0.732 0.000 3.253 131 V HA 0.468 4.588 4.120 -0.001 0.000 0.320 131 V C 0.289 176.266 176.094 -0.196 0.000 1.442 131 V CA -0.784 61.274 62.300 -0.403 0.000 1.097 131 V CB -1.016 30.641 31.823 -0.276 0.000 1.008 131 V HN 0.676 nan 8.190 nan 0.000 0.463 132 L N -1.161 119.954 121.223 -0.179 0.000 0.587 132 L HA -0.246 4.093 4.340 -0.001 0.000 0.356 132 L C 1.238 178.172 176.870 0.107 0.000 0.981 132 L CA 0.710 55.547 54.840 -0.004 0.000 1.223 132 L CB -1.044 41.059 42.059 0.073 0.000 0.020 132 L HN 0.634 nan 8.230 nan 0.000 0.091 133 Y N -0.528 119.763 120.300 -0.014 0.000 2.639 133 Y HA -0.014 4.535 4.550 -0.001 0.000 0.297 133 Y C 1.940 177.863 175.900 0.037 0.000 1.151 133 Y CA 1.217 59.385 58.100 0.113 0.000 1.335 133 Y CB -1.174 37.335 38.460 0.083 0.000 0.994 133 Y HN 0.613 nan 8.280 nan 0.000 0.548 134 T N -2.712 111.527 114.554 -0.525 0.000 3.044 134 T HA 0.073 4.423 4.350 -0.001 0.000 0.250 134 T C 0.602 174.258 174.700 -1.739 0.000 1.081 134 T CA 0.053 61.269 62.100 -1.473 0.000 1.040 134 T CB -1.392 66.398 68.868 -1.797 0.000 0.962 134 T HN 0.538 nan 8.240 nan 0.000 0.506 135 F N 0.578 120.273 119.950 -0.424 0.000 2.584 135 F HA -0.219 4.307 4.527 -0.001 0.000 0.186 135 F C -0.755 175.002 175.800 -0.072 0.000 1.051 135 F CA -1.360 56.551 58.000 -0.148 0.000 0.832 135 F CB -2.873 36.217 39.000 0.150 0.000 0.688 135 F HN 0.277 nan 8.300 nan 0.000 0.842 136 Y N 1.260 121.515 120.300 -0.075 0.000 2.393 136 Y HA 0.392 4.941 4.550 -0.001 0.000 0.338 136 Y C -1.513 174.457 175.900 0.117 0.000 1.029 136 Y CA -2.466 55.590 58.100 -0.074 0.000 1.239 136 Y CB 0.507 38.896 38.460 -0.119 0.000 1.170 136 Y HN 0.077 nan 8.280 nan 0.000 0.515 137 P HA 0.051 nan 4.420 nan 0.000 0.272 137 P C -2.052 175.340 177.300 0.153 0.000 1.230 137 P CA -1.223 62.006 63.100 0.216 0.000 0.788 137 P CB 0.455 32.036 31.700 -0.199 0.000 0.949 138 P HA 0.013 nan 4.420 nan 0.000 0.234 138 P C -0.116 177.574 177.300 0.650 0.000 1.167 138 P CA 0.620 63.973 63.100 0.422 0.000 0.763 138 P CB -0.006 31.927 31.700 0.388 0.000 0.835 139 L N 0.514 122.047 121.223 0.516 0.000 2.584 139 L HA -0.013 4.326 4.340 -0.001 0.000 0.272 139 L C 0.919 178.170 176.870 0.634 0.000 1.195 139 L CA 0.398 55.563 54.840 0.542 0.000 0.920 139 L CB -0.171 42.129 42.059 0.403 0.000 1.173 139 L HN -0.062 nan 8.230 nan 0.000 0.489 140 K N 3.015 123.723 120.400 0.514 0.000 2.339 140 K HA 0.486 4.806 4.320 -0.001 0.000 0.264 140 K C 0.025 176.848 176.600 0.372 0.000 0.986 140 K CA -0.437 55.974 56.287 0.206 0.000 0.866 140 K CB 1.377 33.691 32.500 -0.311 0.000 1.103 140 K HN 0.648 nan 8.250 nan 0.000 0.441 141 G N 1.617 110.680 108.800 0.439 0.000 2.488 141 G HA2 0.095 4.055 3.960 -0.001 0.000 0.318 141 G HA3 0.095 4.055 3.960 -0.001 0.000 0.318 141 G C -0.848 174.277 174.900 0.374 0.000 1.188 141 G CA -0.458 44.834 45.100 0.320 0.000 0.944 141 G HN 0.711 nan 8.290 nan 0.000 0.495 142 H N 0.562 119.711 119.070 0.131 0.000 2.897 142 H HA -0.064 4.491 4.556 -0.001 0.000 0.347 142 H C 1.534 176.939 175.328 0.130 0.000 1.068 142 H CA 0.112 56.191 56.048 0.052 0.000 1.426 142 H CB 0.502 30.198 29.762 -0.109 0.000 1.410 142 H HN 0.736 nan 8.280 nan 0.000 0.597 143 W N 3.608 124.929 121.300 0.034 0.000 2.364 143 W HA -0.142 4.517 4.660 -0.001 0.000 0.281 143 W C 1.244 177.936 176.519 0.288 0.000 1.219 143 W CA 0.848 58.248 57.345 0.092 0.000 1.220 143 W CB -1.128 28.306 29.460 -0.045 0.000 1.127 143 W HN 0.592 nan 8.180 nan 0.000 0.556 144 A N 0.752 123.527 122.820 -0.076 0.000 2.066 144 A HA -0.086 4.233 4.320 -0.001 0.000 0.218 144 A C 1.828 179.362 177.584 -0.084 0.000 1.157 144 A CA 1.194 53.082 52.037 -0.249 0.000 0.670 144 A CB -1.175 17.384 19.000 -0.735 0.000 0.804 144 A HN 0.349 nan 8.150 nan 0.000 0.453 145 F N -0.323 119.513 119.950 -0.191 0.000 2.098 145 F HA -0.124 4.402 4.527 -0.001 0.000 0.294 145 F C 1.997 177.579 175.800 -0.363 0.000 1.107 145 F CA 1.518 59.310 58.000 -0.346 0.000 1.234 145 F CB -0.528 38.166 39.000 -0.511 0.000 1.002 145 F HN 0.287 nan 8.300 nan 0.000 0.472 146 Y N -0.264 119.866 120.300 -0.283 0.000 2.242 146 Y HA -0.154 4.395 4.550 -0.001 0.000 0.291 146 Y C 2.247 177.980 175.900 -0.277 0.000 1.137 146 Y CA 1.231 59.089 58.100 -0.403 0.000 1.181 146 Y CB -0.819 37.531 38.460 -0.183 0.000 0.989 146 Y HN 0.208 nan 8.280 nan 0.000 0.527 147 L N 0.056 121.318 121.223 0.065 0.000 2.056 147 L HA 0.008 4.347 4.340 -0.001 0.000 0.207 147 L C 2.359 179.245 176.870 0.027 0.000 1.078 147 L CA 2.047 56.977 54.840 0.149 0.000 0.749 147 L CB -1.118 41.211 42.059 0.451 0.000 0.901 147 L HN 0.178 nan 8.230 nan 0.000 0.433 148 G N -1.024 107.733 108.800 -0.072 0.000 2.418 148 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.217 148 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.217 148 G C 1.592 176.402 174.900 -0.149 0.000 1.158 148 G CA 0.764 45.794 45.100 -0.116 0.000 0.771 148 G HN 0.606 nan 8.290 nan 0.000 0.545 149 A N 0.740 123.360 122.820 -0.333 0.000 1.902 149 A HA 0.029 4.349 4.320 -0.001 0.000 0.217 149 A C 2.704 180.231 177.584 -0.094 0.000 1.181 149 A CA 2.205 54.069 52.037 -0.287 0.000 0.623 149 A CB -0.708 17.909 19.000 -0.638 0.000 0.818 149 A HN 0.302 nan 8.150 nan 0.000 0.443 150 S N -0.351 115.269 115.700 -0.132 0.000 2.359 150 S HA -0.175 4.295 4.470 -0.001 0.000 0.223 150 S C 1.934 176.497 174.600 -0.063 0.000 1.039 150 S CA 1.689 59.831 58.200 -0.096 0.000 1.042 150 S CB -0.586 62.571 63.200 -0.073 0.000 0.915 150 S HN 0.363 nan 8.310 nan 0.000 0.439 151 V N 1.274 121.183 119.914 -0.009 0.000 2.295 151 V HA -0.161 3.958 4.120 -0.001 0.000 0.246 151 V C 1.881 178.003 176.094 0.047 0.000 1.049 151 V CA 1.904 64.215 62.300 0.018 0.000 1.024 151 V CB -0.821 31.037 31.823 0.058 0.000 0.648 151 V HN 0.480 nan 8.190 nan 0.000 0.447 152 F N 0.949 120.862 119.950 -0.061 0.000 2.065 152 F HA -0.220 4.306 4.527 -0.001 0.000 0.298 152 F C 2.238 178.050 175.800 0.020 0.000 1.112 152 F CA 2.099 60.080 58.000 -0.032 0.000 1.212 152 F CB -0.445 38.513 39.000 -0.070 0.000 0.975 152 F HN -0.034 nan 8.300 nan 0.000 0.476 153 V N 0.742 120.664 119.914 0.013 0.000 2.358 153 V HA -0.293 3.827 4.120 -0.001 0.000 0.246 153 V C 2.511 178.552 176.094 -0.088 0.000 1.047 153 V CA 1.796 64.076 62.300 -0.034 0.000 1.035 153 V CB -0.755 31.092 31.823 0.040 0.000 0.658 153 V HN 0.390 nan 8.190 nan 0.000 0.452 154 L N 0.241 121.359 121.223 -0.174 0.000 2.349 154 L HA -0.172 4.168 4.340 -0.001 0.000 0.220 154 L C 2.657 179.508 176.870 -0.032 0.000 1.130 154 L CA 1.443 56.127 54.840 -0.260 0.000 0.791 154 L CB -0.595 41.296 42.059 -0.280 0.000 0.918 154 L HN 0.435 nan 8.230 nan 0.000 0.444 155 S N -0.149 115.541 115.700 -0.017 0.000 2.387 155 S HA -0.225 4.245 4.470 -0.001 0.000 0.230 155 S C 2.132 176.818 174.600 0.144 0.000 1.035 155 S CA 2.105 60.337 58.200 0.054 0.000 1.014 155 S CB -0.270 62.908 63.200 -0.037 0.000 0.836 155 S HN 0.671 nan 8.310 nan 0.000 0.466 156 T N -2.445 112.232 114.554 0.205 0.000 2.881 156 T HA -0.100 4.250 4.350 -0.001 0.000 0.270 156 T C 1.460 176.448 174.700 0.479 0.000 1.068 156 T CA 1.044 63.383 62.100 0.399 0.000 1.131 156 T CB -0.618 68.685 68.868 0.725 0.000 0.871 156 T HN 0.528 nan 8.240 nan 0.000 0.479 157 W N 1.367 122.768 121.300 0.169 0.000 2.374 157 W HA 0.119 4.779 4.660 -0.001 0.000 0.288 157 W C 2.487 179.067 176.519 0.103 0.000 1.218 157 W CA -0.513 56.931 57.345 0.166 0.000 1.245 157 W CB -1.039 28.510 29.460 0.149 0.000 1.126 157 W HN 0.148 nan 8.180 nan 0.000 0.545 158 V N -0.474 119.610 119.914 0.283 0.000 2.358 158 V HA -0.272 3.847 4.120 -0.001 0.000 0.246 158 V C 2.293 178.417 176.094 0.049 0.000 1.047 158 V CA 2.098 64.494 62.300 0.160 0.000 1.035 158 V CB -1.277 30.627 31.823 0.136 0.000 0.658 158 V HN 0.029 nan 8.190 nan 0.000 0.452 159 S N 0.111 115.757 115.700 -0.088 0.000 2.359 159 S HA -0.169 4.300 4.470 -0.001 0.000 0.224 159 S C 1.899 176.078 174.600 -0.702 0.000 1.035 159 S CA 1.829 59.752 58.200 -0.462 0.000 1.018 159 S CB -0.394 62.341 63.200 -0.776 0.000 0.876 159 S HN 0.506 nan 8.310 nan 0.000 0.448 160 I N 0.024 120.299 120.570 -0.493 0.000 2.163 160 I HA -0.253 3.917 4.170 -0.001 0.000 0.243 160 I C 2.264 178.273 176.117 -0.180 0.000 1.085 160 I CA 1.662 62.781 61.300 -0.302 0.000 1.347 160 I CB -0.431 37.594 38.000 0.043 0.000 1.044 160 I HN 0.293 nan 8.210 nan 0.000 0.408 161 Y N 1.512 121.718 120.300 -0.156 0.000 2.165 161 Y HA -0.250 4.299 4.550 -0.001 0.000 0.286 161 Y C 2.359 178.208 175.900 -0.084 0.000 1.155 161 Y CA 1.566 59.609 58.100 -0.096 0.000 1.164 161 Y CB -0.249 38.188 38.460 -0.038 0.000 0.978 161 Y HN 0.037 nan 8.280 nan 0.000 0.513 162 I N -1.108 119.518 120.570 0.092 0.000 2.163 162 I HA -0.352 3.817 4.170 -0.001 0.000 0.243 162 I C 2.168 178.251 176.117 -0.058 0.000 1.085 162 I CA 1.576 62.901 61.300 0.042 0.000 1.347 162 I CB -0.521 37.472 38.000 -0.012 0.000 1.044 162 I HN 0.091 nan 8.210 nan 0.000 0.408 163 V N 0.680 120.509 119.914 -0.143 0.000 2.453 163 V HA -0.220 3.899 4.120 -0.001 0.000 0.247 163 V C 2.291 178.392 176.094 0.012 0.000 1.048 163 V CA 1.354 63.618 62.300 -0.059 0.000 1.049 163 V CB -0.407 31.376 31.823 -0.067 0.000 0.672 163 V HN 0.370 nan 8.190 nan 0.000 0.457 164 L N 0.181 121.365 121.223 -0.064 0.000 2.093 164 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 164 L C 2.342 179.222 176.870 0.016 0.000 1.085 164 L CA 2.021 56.870 54.840 0.015 0.000 0.755 164 L CB -0.560 41.422 42.059 -0.129 0.000 0.904 164 L HN 0.443 nan 8.230 nan 0.000 0.435 165 D N 0.317 120.620 120.400 -0.161 0.000 2.097 165 D HA -0.196 4.444 4.640 -0.001 0.000 0.197 165 D C 2.344 178.655 176.300 0.017 0.000 0.984 165 D CA 1.161 55.079 54.000 -0.137 0.000 0.826 165 D CB 0.015 40.719 40.800 -0.160 0.000 0.973 165 D HN 0.142 nan 8.370 nan 0.000 0.460 166 L N -0.560 120.701 121.223 0.064 0.000 2.042 166 L HA -0.143 4.197 4.340 -0.001 0.000 0.210 166 L C 2.211 179.206 176.870 0.208 0.000 1.076 166 L CA 1.323 56.236 54.840 0.121 0.000 0.749 166 L CB -0.478 41.643 42.059 0.104 0.000 0.893 166 L HN 0.354 nan 8.230 nan 0.000 0.432 167 W N 0.537 121.850 121.300 0.021 0.000 2.355 167 W HA -0.200 4.459 4.660 -0.001 0.000 0.309 167 W C 2.827 179.420 176.519 0.124 0.000 1.206 167 W CA 1.261 58.644 57.345 0.064 0.000 1.284 167 W CB -0.247 29.216 29.460 0.006 0.000 1.145 167 W HN -0.072 nan 8.180 nan 0.000 0.502 168 R N 0.879 121.334 120.500 -0.074 0.000 2.081 168 R HA -0.112 4.227 4.340 -0.001 0.000 0.235 168 R C 2.231 178.436 176.300 -0.157 0.000 1.131 168 R CA 1.831 57.773 56.100 -0.264 0.000 0.960 168 R CB -0.772 29.440 30.300 -0.146 0.000 0.856 168 R HN 0.251 nan 8.270 nan 0.000 0.436 169 R N -1.549 118.929 120.500 -0.038 0.000 2.096 169 R HA -0.170 4.169 4.340 -0.001 0.000 0.235 169 R C 2.084 178.386 176.300 0.004 0.000 1.127 169 R CA 1.730 57.822 56.100 -0.012 0.000 0.968 169 R CB -0.486 29.836 30.300 0.036 0.000 0.861 169 R HN 0.305 nan 8.270 nan 0.000 0.440 170 W N 1.804 123.043 121.300 -0.103 0.000 2.388 170 W HA -0.110 4.550 4.660 -0.001 0.000 0.294 170 W C 1.576 178.014 176.519 -0.136 0.000 1.212 170 W CA 1.062 58.357 57.345 -0.083 0.000 1.271 170 W CB 0.190 29.636 29.460 -0.023 0.000 1.126 170 W HN -0.193 nan 8.180 nan 0.000 0.535 171 K N 0.230 120.599 120.400 -0.051 0.000 2.209 171 K HA -0.082 4.237 4.320 -0.001 0.000 0.204 171 K C 2.032 178.447 176.600 -0.309 0.000 1.048 171 K CA 1.348 57.496 56.287 -0.231 0.000 0.940 171 K CB -0.897 31.390 32.500 -0.354 0.000 0.729 171 K HN 0.281 nan 8.250 nan 0.000 0.451 172 A N 0.756 123.422 122.820 -0.257 0.000 2.014 172 A HA 0.054 4.374 4.320 -0.001 0.000 0.218 172 A C 2.019 179.459 177.584 -0.239 0.000 1.163 172 A CA 1.482 53.392 52.037 -0.211 0.000 0.652 172 A CB -0.123 18.786 19.000 -0.152 0.000 0.808 172 A HN 0.239 nan 8.150 nan 0.000 0.449 173 A N -0.850 121.773 122.820 -0.327 0.000 2.308 173 A HA 0.247 4.566 4.320 -0.001 0.000 0.217 173 A C 0.498 177.802 177.584 -0.467 0.000 1.216 173 A CA -0.139 51.697 52.037 -0.335 0.000 0.864 173 A CB -0.018 18.807 19.000 -0.292 0.000 0.902 173 A HN 0.424 nan 8.150 nan 0.000 0.499 174 N N 1.364 119.702 118.700 -0.604 0.000 2.664 174 N HA 0.164 4.903 4.740 -0.001 0.000 0.287 174 N C -3.224 172.038 175.510 -0.413 0.000 1.869 174 N CA -0.725 51.942 53.050 -0.638 0.000 0.832 174 N CB 1.251 38.959 38.487 -1.299 0.000 1.293 174 N HN 0.214 nan 8.380 nan 0.000 0.498 175 P HA -0.009 nan 4.420 nan 0.000 0.264 175 P C 1.019 178.249 177.300 -0.116 0.000 1.183 175 P CA 1.112 64.111 63.100 -0.169 0.000 0.763 175 P CB 0.646 32.267 31.700 -0.132 0.000 0.807 176 G N 2.180 110.938 108.800 -0.070 0.000 2.168 176 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.263 176 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.263 176 G C 0.133 175.039 174.900 0.010 0.000 0.977 176 G CA 0.142 45.227 45.100 -0.024 0.000 0.659 176 G HN 0.600 nan 8.290 nan 0.000 0.533 177 K N 0.123 120.532 120.400 0.016 0.000 2.143 177 K HA 0.557 4.877 4.320 -0.001 0.000 0.272 177 K C 0.560 177.316 176.600 0.260 0.000 1.001 177 K CA -0.814 55.545 56.287 0.120 0.000 0.915 177 K CB 2.225 34.793 32.500 0.113 0.000 1.047 177 K HN 0.011 nan 8.250 nan 0.000 0.458 178 V N 2.602 122.646 119.914 0.216 0.000 2.637 178 V HA -0.022 4.097 4.120 -0.001 0.000 0.296 178 V C 0.368 176.595 176.094 0.221 0.000 1.046 178 V CA -0.114 62.297 62.300 0.184 0.000 1.066 178 V CB 1.107 32.968 31.823 0.063 0.000 0.968 178 V HN 0.796 nan 8.190 nan 0.000 0.483 179 T N 7.999 122.684 114.554 0.219 0.000 2.905 179 T HA 0.084 4.434 4.350 -0.001 0.000 0.299 179 T C -2.146 172.463 174.700 -0.152 0.000 1.024 179 T CA -0.270 61.877 62.100 0.079 0.000 1.151 179 T CB 0.291 69.355 68.868 0.327 0.000 0.987 179 T HN 0.530 nan 8.240 nan 0.000 0.535 180 P HA 0.069 nan 4.420 nan 0.000 0.268 180 P C 1.031 178.176 177.300 -0.258 0.000 1.208 180 P CA -0.526 62.366 63.100 -0.348 0.000 0.777 180 P CB 0.464 31.861 31.700 -0.505 0.000 0.875 181 L N 4.119 125.193 121.223 -0.249 0.000 1.971 181 L HA -0.215 4.124 4.340 -0.001 0.000 0.215 181 L C 2.024 178.743 176.870 -0.252 0.000 1.072 181 L CA 2.114 56.815 54.840 -0.231 0.000 0.758 181 L CB -1.151 40.761 42.059 -0.246 0.000 0.889 181 L HN 0.160 nan 8.230 nan 0.000 0.433 182 V N -0.914 118.807 119.914 -0.323 0.000 2.287 182 V HA -0.338 3.781 4.120 -0.001 0.000 0.248 182 V C 2.450 178.382 176.094 -0.270 0.000 1.053 182 V CA 2.324 64.435 62.300 -0.315 0.000 1.027 182 V CB -1.332 30.276 31.823 -0.358 0.000 0.646 182 V HN 0.575 nan 8.190 nan 0.000 0.447 183 T N -1.001 113.398 114.554 -0.258 0.000 2.788 183 T HA -0.237 4.112 4.350 -0.001 0.000 0.268 183 T C 1.740 176.315 174.700 -0.208 0.000 1.044 183 T CA 2.061 64.037 62.100 -0.206 0.000 1.139 183 T CB -0.388 68.336 68.868 -0.240 0.000 0.867 183 T HN 0.587 nan 8.240 nan 0.000 0.454 184 Y N 1.564 121.680 120.300 -0.306 0.000 2.145 184 Y HA -0.121 4.428 4.550 -0.001 0.000 0.286 184 Y C 2.293 178.008 175.900 -0.308 0.000 1.145 184 Y CA 1.322 59.245 58.100 -0.295 0.000 1.148 184 Y CB -0.411 37.902 38.460 -0.246 0.000 0.981 184 Y HN 0.137 nan 8.280 nan 0.000 0.507 185 M N -0.385 118.967 119.600 -0.413 0.000 2.086 185 M HA -0.224 4.256 4.480 -0.001 0.000 0.261 185 M C 2.483 178.579 176.300 -0.340 0.000 1.067 185 M CA 1.864 56.724 55.300 -0.734 0.000 1.116 185 M CB -0.587 31.266 32.600 -1.246 0.000 1.348 185 M HN 0.394 nan 8.290 nan 0.000 0.407 186 A N -0.289 122.378 122.820 -0.256 0.000 1.902 186 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 186 A C 2.257 179.912 177.584 0.119 0.000 1.181 186 A CA 1.635 53.639 52.037 -0.056 0.000 0.623 186 A CB -0.950 18.065 19.000 0.025 0.000 0.818 186 A HN 0.305 nan 8.150 nan 0.000 0.443 187 V N 0.199 120.039 119.914 -0.123 0.000 2.307 187 V HA -0.212 3.908 4.120 -0.001 0.000 0.245 187 V C 2.740 178.700 176.094 -0.223 0.000 1.045 187 V CA 1.963 64.122 62.300 -0.235 0.000 1.024 187 V CB -0.645 30.757 31.823 -0.701 0.000 0.651 187 V HN 0.602 nan 8.190 nan 0.000 0.449 188 V N -1.998 117.729 119.914 -0.311 0.000 2.667 188 V HA -0.185 3.934 4.120 -0.001 0.000 0.252 188 V C 2.221 178.350 176.094 0.058 0.000 1.065 188 V CA 1.855 64.047 62.300 -0.181 0.000 1.083 188 V CB -1.105 30.561 31.823 -0.262 0.000 0.692 188 V HN 0.432 nan 8.190 nan 0.000 0.468 189 F N 1.038 120.965 119.950 -0.038 0.000 2.046 189 F HA -0.095 4.431 4.527 -0.001 0.000 0.297 189 F C 1.977 177.773 175.800 -0.007 0.000 1.123 189 F CA 2.035 60.008 58.000 -0.046 0.000 1.199 189 F CB -0.553 38.311 39.000 -0.226 0.000 0.972 189 F HN 0.204 nan 8.300 nan 0.000 0.474 190 W N 0.430 121.830 121.300 0.166 0.000 2.402 190 W HA -0.071 4.588 4.660 -0.001 0.000 0.286 190 W C 2.262 178.817 176.519 0.061 0.000 1.221 190 W CA 0.676 58.091 57.345 0.118 0.000 1.257 190 W CB -0.396 29.169 29.460 0.175 0.000 1.120 190 W HN 0.055 nan 8.180 nan 0.000 0.551 191 L N -0.320 120.984 121.223 0.135 0.000 2.109 191 L HA -0.207 4.132 4.340 -0.001 0.000 0.207 191 L C 2.621 179.611 176.870 0.200 0.000 1.086 191 L CA 0.658 55.467 54.840 -0.052 0.000 0.760 191 L CB -0.701 41.110 42.059 -0.413 0.000 0.910 191 L HN 0.087 nan 8.230 nan 0.000 0.437 192 M N -0.397 119.304 119.600 0.168 0.000 2.086 192 M HA -0.295 4.184 4.480 -0.001 0.000 0.261 192 M C 2.265 178.697 176.300 0.219 0.000 1.067 192 M CA 1.998 57.415 55.300 0.195 0.000 1.116 192 M CB -0.832 31.846 32.600 0.129 0.000 1.348 192 M HN 0.460 nan 8.290 nan 0.000 0.407 193 W N 0.436 121.713 121.300 -0.038 0.000 2.338 193 W HA -0.332 4.327 4.660 -0.001 0.000 0.304 193 W C 2.107 178.676 176.519 0.083 0.000 1.212 193 W CA 1.375 58.692 57.345 -0.045 0.000 1.264 193 W CB -0.726 28.677 29.460 -0.095 0.000 1.142 193 W HN 0.294 nan 8.180 nan 0.000 0.512 194 F N 1.148 121.052 119.950 -0.077 0.000 2.095 194 F HA -0.278 4.248 4.527 -0.001 0.000 0.298 194 F C 2.152 177.870 175.800 -0.136 0.000 1.104 194 F CA 1.849 59.714 58.000 -0.225 0.000 1.232 194 F CB -0.921 37.973 39.000 -0.176 0.000 0.987 194 F HN -0.222 nan 8.300 nan 0.000 0.475 195 L N 0.501 121.769 121.223 0.075 0.000 2.056 195 L HA -0.073 4.266 4.340 -0.001 0.000 0.207 195 L C 2.659 179.574 176.870 0.075 0.000 1.078 195 L CA 1.872 56.761 54.840 0.082 0.000 0.749 195 L CB -1.615 40.579 42.059 0.225 0.000 0.901 195 L HN 0.260 nan 8.230 nan 0.000 0.433 196 A N -1.101 121.710 122.820 -0.015 0.000 1.898 196 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 196 A C 2.438 179.844 177.584 -0.296 0.000 1.181 196 A CA 1.836 53.882 52.037 0.015 0.000 0.620 196 A CB -0.887 18.131 19.000 0.029 0.000 0.819 196 A HN 0.553 nan 8.150 nan 0.000 0.442 197 S N 0.045 115.248 115.700 -0.829 0.000 2.474 197 S HA -0.026 4.443 4.470 -0.001 0.000 0.235 197 S C 1.736 175.957 174.600 -0.632 0.000 0.997 197 S CA 1.101 58.748 58.200 -0.922 0.000 0.949 197 S CB -0.741 61.806 63.200 -1.089 0.000 0.766 197 S HN 0.463 nan 8.310 nan 0.000 0.517 198 L N 1.318 122.183 121.223 -0.595 0.000 2.127 198 L HA -0.039 4.300 4.340 -0.001 0.000 0.211 198 L C 2.958 179.163 176.870 -1.110 0.000 1.089 198 L CA 1.217 55.647 54.840 -0.684 0.000 0.757 198 L CB -1.376 40.383 42.059 -0.500 0.000 0.899 198 L HN 0.531 nan 8.230 nan 0.000 0.434 199 G N 0.311 108.068 108.800 -1.738 0.000 2.459 199 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.217 199 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.217 199 G C 1.541 176.026 174.900 -0.692 0.000 1.183 199 G CA 0.763 44.946 45.100 -1.529 0.000 0.776 199 G HN 0.200 nan 8.290 nan 0.000 0.552 200 L N 0.730 121.624 121.223 -0.548 0.000 2.056 200 L HA 0.024 4.364 4.340 -0.001 0.000 0.207 200 L C 2.988 179.692 176.870 -0.276 0.000 1.078 200 L CA 1.258 55.908 54.840 -0.316 0.000 0.749 200 L CB -0.502 41.386 42.059 -0.284 0.000 0.901 200 L HN 0.095 nan 8.230 nan 0.000 0.433 201 V N -0.537 119.151 119.914 -0.376 0.000 2.343 201 V HA -0.309 3.811 4.120 -0.001 0.000 0.247 201 V C 2.559 178.477 176.094 -0.295 0.000 1.051 201 V CA 1.916 64.011 62.300 -0.341 0.000 1.036 201 V CB -0.531 31.061 31.823 -0.385 0.000 0.654 201 V HN 0.406 nan 8.190 nan 0.000 0.451 202 L N -0.321 120.689 121.223 -0.356 0.000 2.046 202 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 202 L C 2.645 179.344 176.870 -0.286 0.000 1.077 202 L CA 1.908 56.551 54.840 -0.327 0.000 0.747 202 L CB -0.509 41.320 42.059 -0.383 0.000 0.896 202 L HN 0.421 nan 8.230 nan 0.000 0.432 203 E N 0.098 120.188 120.200 -0.184 0.000 2.051 203 E HA -0.253 4.097 4.350 -0.001 0.000 0.192 203 E C 2.170 178.767 176.600 -0.006 0.000 0.991 203 E CA 1.285 57.678 56.400 -0.012 0.000 0.799 203 E CB 0.036 29.813 29.700 0.128 0.000 0.748 203 E HN 0.481 nan 8.360 nan 0.000 0.449 204 A N 0.336 123.134 122.820 -0.036 0.000 1.897 204 A HA -0.089 4.230 4.320 -0.001 0.000 0.215 204 A C 2.359 179.898 177.584 -0.074 0.000 1.181 204 A CA 1.144 53.165 52.037 -0.026 0.000 0.620 204 A CB -0.446 18.522 19.000 -0.053 0.000 0.821 204 A HN 0.210 nan 8.150 nan 0.000 0.443 205 V N -0.054 119.778 119.914 -0.136 0.000 2.379 205 V HA -0.161 3.959 4.120 -0.001 0.000 0.245 205 V C 2.472 178.471 176.094 -0.157 0.000 1.044 205 V CA 1.736 63.959 62.300 -0.128 0.000 1.036 205 V CB -0.534 31.201 31.823 -0.147 0.000 0.664 205 V HN 0.538 nan 8.190 nan 0.000 0.453 206 L N -2.058 118.976 121.223 -0.315 0.000 2.209 206 L HA 0.039 4.378 4.340 -0.001 0.000 0.207 206 L C 2.014 178.639 176.870 -0.410 0.000 1.094 206 L CA 1.230 55.775 54.840 -0.492 0.000 0.790 206 L CB -0.218 41.292 42.059 -0.914 0.000 0.932 206 L HN 0.300 nan 8.230 nan 0.000 0.447 207 F N -1.559 118.388 119.950 -0.006 0.000 2.362 207 F HA 0.158 4.684 4.527 -0.001 0.000 0.264 207 F C 1.994 177.782 175.800 -0.019 0.000 0.905 207 F CA -0.408 57.564 58.000 -0.046 0.000 1.142 207 F CB -0.906 38.024 39.000 -0.117 0.000 1.250 207 F HN -0.290 nan 8.300 nan 0.000 0.771 208 L N 0.438 121.770 121.223 0.181 0.000 1.997 208 L HA -0.274 4.065 4.340 -0.001 0.000 0.216 208 L C 2.395 179.195 176.870 -0.116 0.000 1.074 208 L CA 1.736 56.597 54.840 0.034 0.000 0.763 208 L CB -1.094 40.975 42.059 0.016 0.000 0.890 208 L HN 0.197 nan 8.230 nan 0.000 0.434 209 L N -0.419 120.749 121.223 -0.092 0.000 2.005 209 L HA -0.121 4.218 4.340 -0.001 0.000 0.207 209 L C -0.075 176.747 176.870 -0.080 0.000 1.072 209 L CA 1.300 56.027 54.840 -0.189 0.000 0.744 209 L CB -1.869 40.174 42.059 -0.026 0.000 0.895 209 L HN 0.243 nan 8.230 nan 0.000 0.433 210 P HA -0.223 nan 4.420 nan 0.000 0.220 210 P C 1.231 178.653 177.300 0.202 0.000 1.148 210 P CA 1.328 64.538 63.100 0.182 0.000 0.803 210 P CB -0.134 31.660 31.700 0.157 0.000 0.782 211 W N 2.660 123.930 121.300 -0.050 0.000 2.379 211 W HA -0.132 4.527 4.660 -0.001 0.000 0.307 211 W C 2.387 178.848 176.519 -0.098 0.000 1.200 211 W CA 2.478 59.786 57.345 -0.062 0.000 1.297 211 W CB -1.059 28.351 29.460 -0.083 0.000 1.140 211 W HN 0.034 nan 8.180 nan 0.000 0.507 212 S N -1.507 114.071 115.700 -0.204 0.000 2.522 212 S HA -0.048 4.421 4.470 -0.001 0.000 0.227 212 S C 1.660 176.185 174.600 -0.125 0.000 0.986 212 S CA 0.607 58.615 58.200 -0.320 0.000 0.929 212 S CB -1.144 61.858 63.200 -0.331 0.000 0.769 212 S HN 0.293 nan 8.310 nan 0.000 0.529 213 F N 1.530 121.468 119.950 -0.021 0.000 2.749 213 F HA 0.356 4.883 4.527 -0.001 0.000 0.300 213 F C 2.010 177.747 175.800 -0.105 0.000 1.103 213 F CA -0.047 57.889 58.000 -0.108 0.000 1.342 213 F CB 0.403 39.334 39.000 -0.114 0.000 1.098 213 F HN 0.458 nan 8.300 nan 0.000 0.586 214 G N 0.025 108.885 108.800 0.100 0.000 2.176 214 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.232 214 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.232 214 G C 0.968 175.912 174.900 0.073 0.000 0.986 214 G CA 0.168 45.298 45.100 0.050 0.000 0.643 214 G HN 0.155 nan 8.290 nan 0.000 0.522 215 L N 0.202 121.493 121.223 0.113 0.000 2.083 215 L HA 0.154 4.494 4.340 -0.001 0.000 0.209 215 L C 1.748 178.686 176.870 0.112 0.000 1.083 215 L CA 2.437 57.337 54.840 0.101 0.000 0.752 215 L CB -1.470 40.659 42.059 0.115 0.000 0.899 215 L HN 0.776 nan 8.230 nan 0.000 0.433 216 V N -4.581 115.432 119.914 0.165 0.000 2.914 216 V HA 0.475 4.594 4.120 -0.001 0.000 0.314 216 V C 0.723 176.975 176.094 0.263 0.000 1.084 216 V CA -0.783 61.627 62.300 0.182 0.000 0.963 216 V CB 2.414 34.348 31.823 0.185 0.000 1.025 216 V HN -0.025 nan 8.190 nan 0.000 0.432 217 E N 1.942 122.269 120.200 0.213 0.000 2.415 217 E HA 0.298 4.647 4.350 -0.001 0.000 0.197 217 E C 0.769 177.579 176.600 0.349 0.000 1.007 217 E CA 1.045 57.592 56.400 0.244 0.000 0.890 217 E CB 1.129 30.902 29.700 0.122 0.000 0.891 217 E HN 0.989 nan 8.360 nan 0.000 0.496 218 G N 0.034 108.947 108.800 0.188 0.000 2.630 218 G HA2 0.560 4.519 3.960 -0.001 0.000 0.296 218 G HA3 0.560 4.519 3.960 -0.001 0.000 0.296 218 G C -1.185 173.514 174.900 -0.336 0.000 1.285 218 G CA -0.429 44.678 45.100 0.013 0.000 0.958 218 G HN -0.071 nan 8.290 nan 0.000 0.479 219 V N 0.741 120.334 119.914 -0.535 0.000 2.777 219 V HA 0.277 4.396 4.120 -0.001 0.000 0.306 219 V C -1.122 174.629 176.094 -0.571 0.000 1.112 219 V CA -0.971 60.876 62.300 -0.754 0.000 0.917 219 V CB 1.945 33.056 31.823 -1.186 0.000 1.018 219 V HN 0.843 nan 8.190 nan 0.000 0.426 220 D N 6.002 126.026 120.400 -0.627 0.000 2.371 220 D HA 0.171 4.810 4.640 -0.001 0.000 0.256 220 D C -1.706 174.354 176.300 -0.399 0.000 1.193 220 D CA -1.299 52.434 54.000 -0.445 0.000 0.881 220 D CB 2.287 42.811 40.800 -0.460 0.000 1.143 220 D HN 0.196 nan 8.370 nan 0.000 0.473 221 P HA -0.121 nan 4.420 nan 0.000 0.216 221 P C 1.560 178.765 177.300 -0.159 0.000 1.153 221 P CA 0.281 63.268 63.100 -0.190 0.000 0.848 221 P CB 0.244 31.864 31.700 -0.133 0.000 0.787 222 L N 0.381 121.512 121.223 -0.154 0.000 2.017 222 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 222 L C 2.211 179.022 176.870 -0.098 0.000 1.073 222 L CA 1.802 56.572 54.840 -0.117 0.000 0.745 222 L CB -1.395 40.594 42.059 -0.118 0.000 0.894 222 L HN -0.090 nan 8.230 nan 0.000 0.432 223 V N -2.278 117.532 119.914 -0.174 0.000 2.667 223 V HA -0.025 4.094 4.120 -0.001 0.000 0.252 223 V C 2.423 178.511 176.094 -0.011 0.000 1.065 223 V CA 1.322 63.533 62.300 -0.148 0.000 1.083 223 V CB -1.464 30.128 31.823 -0.385 0.000 0.692 223 V HN 0.412 nan 8.190 nan 0.000 0.468 224 A N 2.294 125.067 122.820 -0.078 0.000 1.902 224 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 224 A C 2.474 180.138 177.584 0.133 0.000 1.181 224 A CA 1.995 54.063 52.037 0.052 0.000 0.623 224 A CB -0.601 18.363 19.000 -0.061 0.000 0.818 224 A HN 0.793 nan 8.150 nan 0.000 0.443 225 R N -1.361 119.195 120.500 0.093 0.000 2.240 225 R HA 0.023 4.363 4.340 -0.001 0.000 0.203 225 R C 1.464 177.973 176.300 0.349 0.000 1.011 225 R CA 1.541 57.750 56.100 0.182 0.000 1.007 225 R CB -0.846 29.486 30.300 0.054 0.000 0.911 225 R HN 0.279 nan 8.270 nan 0.000 0.468 226 T N 1.848 116.567 114.554 0.275 0.000 2.812 226 T HA 0.070 4.420 4.350 -0.001 0.000 0.264 226 T C 1.867 176.812 174.700 0.409 0.000 1.042 226 T CA 0.993 63.325 62.100 0.387 0.000 1.140 226 T CB -0.054 68.986 68.868 0.287 0.000 0.870 226 T HN 0.112 nan 8.240 nan 0.000 0.445 227 L N -0.016 121.372 121.223 0.274 0.000 2.056 227 L HA 0.004 4.343 4.340 -0.001 0.000 0.207 227 L C 2.263 179.177 176.870 0.074 0.000 1.078 227 L CA 1.280 56.207 54.840 0.145 0.000 0.749 227 L CB -0.601 41.513 42.059 0.091 0.000 0.901 227 L HN 0.206 nan 8.230 nan 0.000 0.433 228 F N 0.023 119.940 119.950 -0.055 0.000 2.091 228 F HA -0.282 4.245 4.527 -0.001 0.000 0.299 228 F C 2.000 177.607 175.800 -0.322 0.000 1.103 228 F CA 1.756 59.591 58.000 -0.276 0.000 1.228 228 F CB -0.373 38.347 39.000 -0.465 0.000 0.984 228 F HN -0.009 nan 8.300 nan 0.000 0.477 229 W N -0.769 120.706 121.300 0.292 0.000 2.595 229 W HA -0.130 4.529 4.660 -0.001 0.000 0.257 229 W C 2.213 178.861 176.519 0.215 0.000 1.267 229 W CA 0.435 57.901 57.345 0.201 0.000 1.300 229 W CB -0.667 28.985 29.460 0.320 0.000 1.120 229 W HN 0.299 nan 8.180 nan 0.000 0.618 230 W N 1.195 122.564 121.300 0.115 0.000 2.338 230 W HA -0.191 4.469 4.660 -0.001 0.000 0.304 230 W C 1.412 177.862 176.519 -0.114 0.000 1.212 230 W CA 2.374 59.626 57.345 -0.154 0.000 1.264 230 W CB -1.087 28.040 29.460 -0.555 0.000 1.142 230 W HN -0.259 nan 8.180 nan 0.000 0.512 231 T N 0.100 114.730 114.554 0.127 0.000 2.976 231 T HA 0.060 4.410 4.350 -0.001 0.000 0.257 231 T C 2.016 176.632 174.700 -0.140 0.000 1.051 231 T CA 1.397 63.454 62.100 -0.072 0.000 1.141 231 T CB -0.872 67.776 68.868 -0.366 0.000 0.881 231 T HN 0.231 nan 8.240 nan 0.000 0.461 232 G N 1.066 109.651 108.800 -0.359 0.000 2.556 232 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.220 232 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.220 232 G C 1.315 176.262 174.900 0.078 0.000 1.156 232 G CA 1.806 46.673 45.100 -0.387 0.000 0.766 232 G HN 0.584 nan 8.290 nan 0.000 0.583 233 H N 1.766 121.017 119.070 0.302 0.000 2.317 233 H HA 0.027 4.582 4.556 -0.001 0.000 0.304 233 H C 0.209 175.721 175.328 0.307 0.000 1.067 233 H CA 1.572 57.848 56.048 0.379 0.000 1.352 233 H CB -0.495 29.576 29.762 0.514 0.000 1.398 233 H HN 0.288 nan 8.280 nan 0.000 0.510 234 P HA -0.172 nan 4.420 nan 0.000 0.220 234 P C 1.690 179.056 177.300 0.110 0.000 1.144 234 P CA 1.272 64.556 63.100 0.306 0.000 0.800 234 P CB -0.039 31.847 31.700 0.311 0.000 0.772 235 I N 0.458 120.979 120.570 -0.082 0.000 2.493 235 I HA -0.163 4.006 4.170 -0.001 0.000 0.254 235 I C 2.182 177.671 176.117 -1.046 0.000 1.160 235 I CA 0.931 62.026 61.300 -0.342 0.000 1.445 235 I CB 0.003 37.813 38.000 -0.318 0.000 1.086 235 I HN -0.162 nan 8.210 nan 0.000 0.433 236 V N -2.053 117.154 119.914 -1.177 0.000 2.809 236 V HA -0.211 3.908 4.120 -0.001 0.000 0.256 236 V C 2.035 177.656 176.094 -0.789 0.000 1.080 236 V CA 1.153 62.641 62.300 -1.353 0.000 1.102 236 V CB -1.277 29.963 31.823 -0.972 0.000 0.705 236 V HN 0.353 nan 8.190 nan 0.000 0.475 237 Y N -0.339 119.724 120.300 -0.396 0.000 2.420 237 Y HA 0.164 4.714 4.550 -0.001 0.000 0.292 237 Y C 2.156 177.923 175.900 -0.222 0.000 1.119 237 Y CA 1.159 59.073 58.100 -0.309 0.000 1.229 237 Y CB -0.526 37.792 38.460 -0.236 0.000 1.026 237 Y HN 0.333 nan 8.280 nan 0.000 0.554 238 F N -0.865 118.928 119.950 -0.263 0.000 2.234 238 F HA -0.208 4.318 4.527 -0.001 0.000 0.299 238 F C 1.399 177.181 175.800 -0.030 0.000 1.087 238 F CA 1.194 59.018 58.000 -0.293 0.000 1.340 238 F CB -0.123 38.453 39.000 -0.706 0.000 1.031 238 F HN -0.008 nan 8.300 nan 0.000 0.500 239 W N -0.179 121.014 121.300 -0.179 0.000 2.453 239 W HA 0.001 4.660 4.660 -0.001 0.000 0.289 239 W C 2.077 178.443 176.519 -0.255 0.000 1.215 239 W CA 0.353 57.554 57.345 -0.239 0.000 1.297 239 W CB -1.371 28.004 29.460 -0.142 0.000 1.113 239 W HN 0.122 nan 8.180 nan 0.000 0.551 240 L N 0.113 121.294 121.223 -0.070 0.000 2.049 240 L HA -0.071 4.268 4.340 -0.001 0.000 0.203 240 L C 2.183 178.832 176.870 -0.368 0.000 1.074 240 L CA 1.491 56.169 54.840 -0.271 0.000 0.749 240 L CB -1.187 40.612 42.059 -0.433 0.000 0.907 240 L HN -0.240 nan 8.230 nan 0.000 0.439 241 L N 0.197 121.226 121.223 -0.324 0.000 2.129 241 L HA -0.150 4.189 4.340 -0.001 0.000 0.212 241 L C -0.508 176.277 176.870 -0.140 0.000 1.087 241 L CA 1.993 56.700 54.840 -0.222 0.000 0.757 241 L CB -2.138 39.885 42.059 -0.061 0.000 0.896 241 L HN 0.249 nan 8.230 nan 0.000 0.434 242 P HA -0.098 nan 4.420 nan 0.000 0.217 242 P C 1.566 178.858 177.300 -0.014 0.000 1.151 242 P CA 1.603 64.499 63.100 -0.340 0.000 0.828 242 P CB 0.029 31.467 31.700 -0.436 0.000 0.788 243 A N -1.489 121.367 122.820 0.061 0.000 1.898 243 A HA -0.201 4.118 4.320 -0.001 0.000 0.216 243 A C 2.199 179.925 177.584 0.235 0.000 1.181 243 A CA 1.286 53.412 52.037 0.148 0.000 0.620 243 A CB -1.872 17.150 19.000 0.036 0.000 0.819 243 A HN 0.174 nan 8.150 nan 0.000 0.442 244 Y N -0.337 119.992 120.300 0.049 0.000 2.181 244 Y HA -0.224 4.325 4.550 -0.001 0.000 0.288 244 Y C 3.001 179.128 175.900 0.378 0.000 1.146 244 Y CA 0.405 58.601 58.100 0.159 0.000 1.164 244 Y CB -0.151 38.423 38.460 0.191 0.000 0.982 244 Y HN 0.423 nan 8.280 nan 0.000 0.515 245 A N 0.562 123.687 122.820 0.508 0.000 1.883 245 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 245 A C 2.105 179.827 177.584 0.230 0.000 1.186 245 A CA 1.783 53.993 52.037 0.288 0.000 0.624 245 A CB -1.015 18.009 19.000 0.040 0.000 0.822 245 A HN 0.499 nan 8.150 nan 0.000 0.444 246 I N -0.560 120.138 120.570 0.214 0.000 2.252 246 I HA -0.235 3.935 4.170 -0.001 0.000 0.245 246 I C 2.273 178.480 176.117 0.150 0.000 1.102 246 I CA 1.251 62.675 61.300 0.207 0.000 1.385 246 I CB -0.298 37.883 38.000 0.300 0.000 1.064 246 I HN 0.300 nan 8.210 nan 0.000 0.414 247 I N -0.491 120.156 120.570 0.129 0.000 2.315 247 I HA -0.303 3.866 4.170 -0.001 0.000 0.248 247 I C 2.284 178.395 176.117 -0.010 0.000 1.117 247 I CA 1.698 63.001 61.300 0.004 0.000 1.404 247 I CB -0.295 37.647 38.000 -0.097 0.000 1.071 247 I HN 0.171 nan 8.210 nan 0.000 0.419 248 Y N 0.347 120.674 120.300 0.045 0.000 2.243 248 Y HA -0.172 4.378 4.550 -0.001 0.000 0.293 248 Y C 2.833 178.738 175.900 0.009 0.000 1.124 248 Y CA 1.554 59.667 58.100 0.021 0.000 1.159 248 Y CB -0.078 38.411 38.460 0.048 0.000 1.008 248 Y HN 0.217 nan 8.280 nan 0.000 0.527 249 T N -3.338 111.332 114.554 0.193 0.000 3.040 249 T HA 0.212 4.561 4.350 -0.001 0.000 0.250 249 T C 1.182 175.953 174.700 0.118 0.000 1.058 249 T CA 0.325 62.504 62.100 0.131 0.000 0.988 249 T CB -0.080 68.855 68.868 0.111 0.000 0.993 249 T HN 0.272 nan 8.240 nan 0.000 0.519 250 I N -0.861 119.724 120.570 0.025 0.000 4.228 250 I HA 0.272 4.441 4.170 -0.001 0.000 0.298 250 I C 1.783 177.826 176.117 -0.124 0.000 1.206 250 I CA -0.072 61.136 61.300 -0.154 0.000 1.322 250 I CB 0.220 37.969 38.000 -0.418 0.000 1.411 250 I HN 0.103 nan 8.210 nan 0.000 0.454 251 L N 3.312 124.514 121.223 -0.035 0.000 2.013 251 L HA -0.082 4.257 4.340 -0.001 0.000 0.212 251 L C -0.744 176.153 176.870 0.046 0.000 1.073 251 L CA 2.673 57.516 54.840 0.005 0.000 0.753 251 L CB -1.613 40.442 42.059 -0.008 0.000 0.890 251 L HN 0.032 nan 8.230 nan 0.000 0.432 252 P HA -0.208 nan 4.420 nan 0.000 0.217 252 P C 1.432 178.765 177.300 0.054 0.000 1.148 252 P CA 1.562 64.704 63.100 0.071 0.000 0.828 252 P CB 0.009 31.749 31.700 0.066 0.000 0.783 253 K N -0.289 120.118 120.400 0.011 0.000 2.103 253 K HA -0.102 4.218 4.320 -0.001 0.000 0.204 253 K C 2.117 178.701 176.600 -0.028 0.000 1.052 253 K CA 1.362 57.639 56.287 -0.017 0.000 0.945 253 K CB -0.723 31.739 32.500 -0.063 0.000 0.722 253 K HN -0.037 nan 8.250 nan 0.000 0.443 254 Q N -0.366 119.420 119.800 -0.023 0.000 2.291 254 Q HA 0.019 4.358 4.340 -0.001 0.000 0.205 254 Q C 1.821 177.827 176.000 0.010 0.000 0.970 254 Q CA 1.336 57.145 55.803 0.009 0.000 0.876 254 Q CB -0.033 28.744 28.738 0.065 0.000 0.935 254 Q HN 0.422 nan 8.270 nan 0.000 0.455 255 A N -0.399 122.447 122.820 0.044 0.000 2.123 255 A HA 0.310 4.629 4.320 -0.001 0.000 0.214 255 A C 1.487 178.998 177.584 -0.121 0.000 1.152 255 A CA 1.095 53.086 52.037 -0.077 0.000 0.728 255 A CB 0.015 19.096 19.000 0.134 0.000 0.814 255 A HN 0.403 nan 8.150 nan 0.000 0.464 256 G N -2.593 106.177 108.800 -0.050 0.000 2.134 256 G HA2 0.097 4.057 3.960 -0.001 0.000 0.209 256 G HA3 0.097 4.057 3.960 -0.001 0.000 0.209 256 G C 0.617 175.516 174.900 -0.000 0.000 0.993 256 G CA 0.334 45.407 45.100 -0.044 0.000 0.669 256 G HN 1.392 nan 8.290 nan 0.000 0.519 257 G N -0.921 107.916 108.800 0.061 0.000 3.252 257 G HA2 0.784 4.743 3.960 -0.001 0.000 0.181 257 G HA3 0.784 4.743 3.960 -0.001 0.000 0.181 257 G C -0.506 174.511 174.900 0.195 0.000 1.187 257 G CA -0.364 44.841 45.100 0.175 0.000 0.886 257 G HN 0.433 nan 8.290 nan 0.000 0.615 258 K N -1.094 119.462 120.400 0.260 0.000 2.509 258 K HA 0.479 4.798 4.320 -0.001 0.000 0.266 258 K C -1.649 174.956 176.600 0.008 0.000 0.987 258 K CA -0.869 55.476 56.287 0.097 0.000 0.868 258 K CB 2.600 35.134 32.500 0.057 0.000 1.421 258 K HN 0.302 nan 8.250 nan 0.000 0.444 259 L N 2.618 123.832 121.223 -0.015 0.000 2.315 259 L HA 0.083 4.422 4.340 -0.001 0.000 0.283 259 L C 0.783 177.591 176.870 -0.105 0.000 1.089 259 L CA 0.061 54.892 54.840 -0.015 0.000 0.833 259 L CB 1.140 43.212 42.059 0.021 0.000 1.170 259 L HN 0.621 nan 8.230 nan 0.000 0.442 260 V N 1.638 121.463 119.914 -0.148 0.000 3.305 260 V HA 0.159 4.278 4.120 -0.001 0.000 0.269 260 V C 0.768 176.784 176.094 -0.130 0.000 1.157 260 V CA 0.975 63.135 62.300 -0.233 0.000 1.157 260 V CB -0.654 31.005 31.823 -0.273 0.000 0.772 260 V HN 0.847 nan 8.190 nan 0.000 0.498 261 S N -0.112 115.548 115.700 -0.068 0.000 2.599 261 S HA 0.216 4.686 4.470 -0.001 0.000 0.269 261 S C 0.284 174.840 174.600 -0.074 0.000 1.135 261 S CA -0.125 58.039 58.200 -0.059 0.000 1.027 261 S CB 1.305 64.490 63.200 -0.026 0.000 1.129 261 S HN 0.559 nan 8.310 nan 0.000 0.458 262 D N 4.575 124.915 120.400 -0.101 0.000 2.097 262 D HA 0.010 4.649 4.640 -0.001 0.000 0.197 262 D C -1.100 175.104 176.300 -0.160 0.000 0.984 262 D CA 1.152 55.068 54.000 -0.140 0.000 0.826 262 D CB -0.530 40.189 40.800 -0.136 0.000 0.973 262 D HN 0.431 nan 8.370 nan 0.000 0.460 263 P HA -0.100 nan 4.420 nan 0.000 0.216 263 P C 1.754 178.986 177.300 -0.113 0.000 1.150 263 P CA 1.149 64.170 63.100 -0.131 0.000 0.837 263 P CB -0.038 31.604 31.700 -0.097 0.000 0.786 264 M N -1.069 118.480 119.600 -0.085 0.000 2.132 264 M HA -0.069 4.410 4.480 -0.001 0.000 0.263 264 M C 2.105 178.354 176.300 -0.084 0.000 1.065 264 M CA 1.782 57.053 55.300 -0.049 0.000 1.122 264 M CB -1.904 30.704 32.600 0.014 0.000 1.365 264 M HN -0.106 nan 8.290 nan 0.000 0.411 265 A N 0.050 122.741 122.820 -0.214 0.000 1.933 265 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 265 A C 2.338 179.816 177.584 -0.177 0.000 1.175 265 A CA 1.453 53.179 52.037 -0.518 0.000 0.628 265 A CB -0.540 17.983 19.000 -0.795 0.000 0.814 265 A HN 0.452 nan 8.150 nan 0.000 0.444 266 R N -1.188 119.233 120.500 -0.133 0.000 2.073 266 R HA -0.092 4.248 4.340 -0.001 0.000 0.234 266 R C 2.136 178.508 176.300 0.120 0.000 1.134 266 R CA 1.400 57.499 56.100 -0.000 0.000 0.952 266 R CB -0.591 29.518 30.300 -0.319 0.000 0.850 266 R HN 0.478 nan 8.270 nan 0.000 0.433 267 L N 0.953 122.169 121.223 -0.010 0.000 2.012 267 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 267 L C 2.280 179.139 176.870 -0.019 0.000 1.073 267 L CA 2.115 56.931 54.840 -0.040 0.000 0.748 267 L CB -0.764 41.249 42.059 -0.075 0.000 0.891 267 L HN 0.174 nan 8.230 nan 0.000 0.431 268 A N -0.824 122.014 122.820 0.028 0.000 1.873 268 A HA -0.278 4.042 4.320 -0.001 0.000 0.218 268 A C 2.178 179.787 177.584 0.041 0.000 1.193 268 A CA 2.299 54.338 52.037 0.003 0.000 0.629 268 A CB -1.324 17.792 19.000 0.193 0.000 0.826 268 A HN 0.475 nan 8.150 nan 0.000 0.447 269 F N -0.829 119.223 119.950 0.171 0.000 2.171 269 F HA -0.138 4.388 4.527 -0.001 0.000 0.300 269 F C 2.059 177.939 175.800 0.133 0.000 1.090 269 F CA 1.467 59.640 58.000 0.289 0.000 1.293 269 F CB -0.389 38.719 39.000 0.180 0.000 1.013 269 F HN 0.278 nan 8.300 nan 0.000 0.486 270 L N -0.123 121.210 121.223 0.184 0.000 2.093 270 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 270 L C 1.962 178.765 176.870 -0.111 0.000 1.085 270 L CA 1.684 56.513 54.840 -0.018 0.000 0.755 270 L CB -0.841 41.122 42.059 -0.161 0.000 0.904 270 L HN 0.121 nan 8.230 nan 0.000 0.435 271 L N -1.735 119.387 121.223 -0.168 0.000 2.083 271 L HA -0.211 4.128 4.340 -0.001 0.000 0.209 271 L C 2.456 179.200 176.870 -0.210 0.000 1.083 271 L CA 1.385 56.078 54.840 -0.244 0.000 0.752 271 L CB -0.611 41.241 42.059 -0.346 0.000 0.899 271 L HN 0.211 nan 8.230 nan 0.000 0.433 272 F N -0.287 119.626 119.950 -0.062 0.000 2.134 272 F HA -0.276 4.251 4.527 -0.001 0.000 0.299 272 F C 2.394 178.162 175.800 -0.053 0.000 1.097 272 F CA 0.980 58.920 58.000 -0.101 0.000 1.264 272 F CB -0.218 38.709 39.000 -0.122 0.000 1.001 272 F HN 0.047 nan 8.300 nan 0.000 0.479 273 L N -0.293 121.036 121.223 0.177 0.000 2.083 273 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 273 L C 1.845 178.778 176.870 0.105 0.000 1.083 273 L CA 1.660 56.585 54.840 0.142 0.000 0.752 273 L CB -0.609 41.523 42.059 0.122 0.000 0.899 273 L HN 0.001 nan 8.230 nan 0.000 0.433 274 L N -0.866 120.385 121.223 0.047 0.000 2.095 274 L HA -0.010 4.329 4.340 -0.001 0.000 0.204 274 L C 2.078 178.950 176.870 0.005 0.000 1.080 274 L CA 1.592 56.448 54.840 0.028 0.000 0.759 274 L CB -0.670 41.383 42.059 -0.009 0.000 0.914 274 L HN 0.259 nan 8.230 nan 0.000 0.439 275 L N -2.236 118.978 121.223 -0.014 0.000 2.693 275 L HA 0.156 4.496 4.340 -0.001 0.000 0.235 275 L C 1.997 178.844 176.870 -0.038 0.000 1.127 275 L CA -0.082 54.737 54.840 -0.034 0.000 0.914 275 L CB 0.062 42.099 42.059 -0.037 0.000 1.193 275 L HN 0.027 nan 8.230 nan 0.000 0.502 276 S N -0.301 115.402 115.700 0.005 0.000 2.387 276 S HA -0.113 4.357 4.470 -0.001 0.000 0.226 276 S C 1.963 176.670 174.600 0.177 0.000 1.026 276 S CA 1.855 60.078 58.200 0.039 0.000 0.972 276 S CB 0.034 63.278 63.200 0.074 0.000 0.814 276 S HN 0.433 nan 8.310 nan 0.000 0.477 277 T N 1.985 116.589 114.554 0.084 0.000 2.939 277 T HA 0.042 4.392 4.350 -0.001 0.000 0.254 277 T C -1.519 173.169 174.700 -0.021 0.000 1.041 277 T CA 0.466 62.592 62.100 0.043 0.000 1.142 277 T CB -1.026 67.799 68.868 -0.071 0.000 0.874 277 T HN 0.352 nan 8.240 nan 0.000 0.452 278 P HA 0.176 nan 4.420 nan 0.000 0.254 278 P C 0.293 177.201 177.300 -0.655 0.000 1.631 278 P CA 0.382 63.288 63.100 -0.323 0.000 0.861 278 P CB -0.606 30.901 31.700 -0.321 0.000 1.663 279 V N -5.194 114.518 119.914 -0.338 0.000 3.276 279 V HA 0.427 4.547 4.120 -0.001 0.000 0.319 279 V C 1.918 177.972 176.094 -0.067 0.000 1.476 279 V CA 0.573 62.693 62.300 -0.299 0.000 1.097 279 V CB -0.260 31.492 31.823 -0.118 0.000 0.988 279 V HN 0.084 nan 8.190 nan 0.000 0.473 280 G N 0.722 109.601 108.800 0.131 0.000 2.499 280 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.221 280 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.221 280 G C 1.176 176.165 174.900 0.148 0.000 1.109 280 G CA 1.216 46.466 45.100 0.251 0.000 0.749 280 G HN 0.608 nan 8.290 nan 0.000 0.568 281 F N 0.886 120.783 119.950 -0.089 0.000 2.641 281 F HA -0.048 4.478 4.527 -0.001 0.000 0.298 281 F C 2.520 177.869 175.800 -0.752 0.000 1.146 281 F CA 0.600 58.351 58.000 -0.415 0.000 1.464 281 F CB -0.123 38.483 39.000 -0.656 0.000 1.101 281 F HN 0.439 nan 8.300 nan 0.000 0.585 282 H N -1.747 116.966 119.070 -0.594 0.000 2.556 282 H HA -0.016 4.539 4.556 -0.001 0.000 0.268 282 H C 0.827 175.459 175.328 -1.161 0.000 0.996 282 H CA 0.649 55.880 56.048 -1.362 0.000 1.157 282 H CB -0.416 28.914 29.762 -0.720 0.000 1.355 282 H HN 0.401 nan 8.280 nan 0.000 0.597 283 H N 0.579 119.206 119.070 -0.738 0.000 2.652 283 H HA 0.210 4.765 4.556 -0.001 0.000 0.274 283 H C 0.422 175.362 175.328 -0.646 0.000 1.021 283 H CA 0.091 55.649 56.048 -0.817 0.000 1.187 283 H CB 0.981 29.689 29.762 -1.757 0.000 1.505 283 H HN 0.574 nan 8.280 nan 0.000 0.530 284 Q N -0.418 119.116 119.800 -0.444 0.000 2.084 284 Q HA 0.159 4.499 4.340 -0.001 0.000 0.230 284 Q C 0.749 176.621 176.000 -0.214 0.000 0.806 284 Q CA -0.239 55.410 55.803 -0.257 0.000 1.083 284 Q CB 0.558 29.202 28.738 -0.156 0.000 1.208 284 Q HN 0.313 nan 8.270 nan 0.000 0.462 285 F N 0.783 120.574 119.950 -0.264 0.000 2.161 285 F HA -0.179 4.347 4.527 -0.001 0.000 0.300 285 F C 2.059 177.803 175.800 -0.093 0.000 1.089 285 F CA 0.849 58.702 58.000 -0.245 0.000 1.282 285 F CB 0.250 39.023 39.000 -0.377 0.000 1.010 285 F HN 0.205 nan 8.300 nan 0.000 0.485 286 A N -0.930 121.871 122.820 -0.032 0.000 2.302 286 A HA 0.052 4.371 4.320 -0.001 0.000 0.219 286 A C -0.250 177.386 177.584 0.087 0.000 1.243 286 A CA 0.098 52.202 52.037 0.111 0.000 0.856 286 A CB -0.636 18.332 19.000 -0.053 0.000 0.893 286 A HN 0.060 nan 8.150 nan 0.000 0.491 287 D N 0.973 121.391 120.400 0.030 0.000 2.229 287 D HA 0.481 5.120 4.640 -0.001 0.000 0.249 287 D C -2.285 174.011 176.300 -0.006 0.000 1.027 287 D CA -1.324 52.673 54.000 -0.006 0.000 0.923 287 D CB 1.188 41.952 40.800 -0.061 0.000 1.174 287 D HN 0.172 nan 8.370 nan 0.000 0.443 288 P HA 0.309 nan 4.420 nan 0.000 0.284 288 P C 0.475 177.738 177.300 -0.062 0.000 1.287 288 P CA -0.509 62.575 63.100 -0.027 0.000 0.824 288 P CB 1.143 32.828 31.700 -0.024 0.000 1.180 289 G N -0.253 108.512 108.800 -0.059 0.000 2.189 289 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.267 289 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.267 289 G C 0.010 174.840 174.900 -0.117 0.000 0.975 289 G CA 0.111 45.162 45.100 -0.082 0.000 0.644 289 G HN 0.512 nan 8.290 nan 0.000 0.537 290 I N 1.100 121.588 120.570 -0.135 0.000 2.410 290 I HA 0.232 4.402 4.170 -0.001 0.000 0.286 290 I C -0.008 176.056 176.117 -0.089 0.000 1.009 290 I CA -0.917 60.250 61.300 -0.222 0.000 1.111 290 I CB 1.473 39.190 38.000 -0.472 0.000 1.262 290 I HN 0.066 nan 8.210 nan 0.000 0.443 291 D N 8.504 128.913 120.400 0.014 0.000 2.583 291 D HA -0.041 4.599 4.640 -0.001 0.000 0.232 291 D C -1.609 174.775 176.300 0.140 0.000 1.128 291 D CA -0.455 53.621 54.000 0.127 0.000 0.859 291 D CB 1.140 42.112 40.800 0.286 0.000 1.169 291 D HN 0.248 nan 8.370 nan 0.000 0.481 292 P HA -0.109 nan 4.420 nan 0.000 0.218 292 P C 1.130 178.556 177.300 0.211 0.000 1.149 292 P CA 1.095 64.345 63.100 0.250 0.000 0.817 292 P CB 0.201 32.050 31.700 0.248 0.000 0.785 293 T N -1.918 112.698 114.554 0.104 0.000 2.708 293 T HA -0.174 4.176 4.350 -0.001 0.000 0.266 293 T C 1.380 176.047 174.700 -0.055 0.000 1.037 293 T CA 1.282 63.372 62.100 -0.016 0.000 1.146 293 T CB -1.032 67.740 68.868 -0.159 0.000 0.865 293 T HN 0.199 nan 8.240 nan 0.000 0.435 294 W N 1.753 123.089 121.300 0.060 0.000 2.392 294 W HA -0.006 4.654 4.660 -0.001 0.000 0.279 294 W C 2.427 179.012 176.519 0.111 0.000 1.225 294 W CA 0.511 57.919 57.345 0.105 0.000 1.233 294 W CB -0.071 29.481 29.460 0.153 0.000 1.122 294 W HN 0.228 nan 8.180 nan 0.000 0.561 295 K N -0.792 119.715 120.400 0.179 0.000 2.062 295 K HA -0.184 4.136 4.320 -0.001 0.000 0.205 295 K C 1.957 178.465 176.600 -0.152 0.000 1.051 295 K CA 1.412 57.666 56.287 -0.055 0.000 0.941 295 K CB -0.441 31.767 32.500 -0.487 0.000 0.719 295 K HN 0.033 nan 8.250 nan 0.000 0.440 296 M N 1.503 121.040 119.600 -0.104 0.000 2.086 296 M HA -0.112 4.367 4.480 -0.001 0.000 0.261 296 M C 1.772 178.090 176.300 0.030 0.000 1.067 296 M CA 1.527 56.855 55.300 0.047 0.000 1.116 296 M CB -0.221 32.474 32.600 0.158 0.000 1.348 296 M HN 0.077 nan 8.290 nan 0.000 0.407 297 I N -0.768 119.818 120.570 0.028 0.000 2.127 297 I HA -0.363 3.806 4.170 -0.001 0.000 0.241 297 I C 2.191 178.329 176.117 0.034 0.000 1.075 297 I CA 1.594 62.894 61.300 0.001 0.000 1.334 297 I CB -0.753 37.244 38.000 -0.004 0.000 1.040 297 I HN 0.352 nan 8.210 nan 0.000 0.405 298 H N -0.507 118.549 119.070 -0.023 0.000 2.421 298 H HA -0.131 4.424 4.556 -0.001 0.000 0.298 298 H C 2.488 177.792 175.328 -0.040 0.000 1.087 298 H CA 1.515 57.510 56.048 -0.088 0.000 1.330 298 H CB -0.135 29.557 29.762 -0.116 0.000 1.388 298 H HN 0.186 nan 8.280 nan 0.000 0.526 299 S N -0.698 115.092 115.700 0.150 0.000 2.383 299 S HA -0.105 4.364 4.470 -0.001 0.000 0.227 299 S C 2.256 176.834 174.600 -0.037 0.000 1.026 299 S CA 1.066 59.357 58.200 0.151 0.000 0.981 299 S CB -0.405 62.881 63.200 0.143 0.000 0.818 299 S HN 0.192 nan 8.310 nan 0.000 0.472 300 V N 2.066 121.891 119.914 -0.149 0.000 2.270 300 V HA -0.075 4.045 4.120 -0.001 0.000 0.245 300 V C 2.372 178.056 176.094 -0.683 0.000 1.043 300 V CA 1.692 63.751 62.300 -0.400 0.000 1.014 300 V CB -0.654 30.923 31.823 -0.410 0.000 0.645 300 V HN 0.480 nan 8.190 nan 0.000 0.447 301 L N -0.195 120.727 121.223 -0.502 0.000 2.187 301 L HA -0.176 4.163 4.340 -0.001 0.000 0.213 301 L C 2.494 179.228 176.870 -0.226 0.000 1.100 301 L CA 1.645 56.235 54.840 -0.416 0.000 0.765 301 L CB -0.897 40.973 42.059 -0.315 0.000 0.904 301 L HN 0.389 nan 8.230 nan 0.000 0.437 302 T N -0.039 114.413 114.554 -0.169 0.000 2.857 302 T HA -0.063 4.287 4.350 -0.001 0.000 0.266 302 T C 1.967 176.641 174.700 -0.043 0.000 1.048 302 T CA 0.887 62.932 62.100 -0.091 0.000 1.139 302 T CB -0.082 68.737 68.868 -0.082 0.000 0.874 302 T HN 0.204 nan 8.240 nan 0.000 0.455 303 L N -0.068 121.124 121.223 -0.052 0.000 2.141 303 L HA 0.031 4.371 4.340 -0.001 0.000 0.209 303 L C 2.262 179.272 176.870 0.233 0.000 1.094 303 L CA 1.321 56.201 54.840 0.065 0.000 0.763 303 L CB -0.594 41.499 42.059 0.057 0.000 0.908 303 L HN 0.318 nan 8.230 nan 0.000 0.437 304 F N -1.370 118.564 119.950 -0.026 0.000 2.146 304 F HA -0.211 4.316 4.527 -0.001 0.000 0.298 304 F C 2.520 178.280 175.800 -0.067 0.000 1.096 304 F CA 0.493 58.465 58.000 -0.046 0.000 1.275 304 F CB -0.210 38.756 39.000 -0.058 0.000 1.008 304 F HN -0.148 nan 8.300 nan 0.000 0.480 305 V N 0.273 120.260 119.914 0.123 0.000 3.026 305 V HA -0.222 3.898 4.120 -0.001 0.000 0.265 305 V C 2.121 178.262 176.094 0.078 0.000 1.121 305 V CA 1.509 63.819 62.300 0.016 0.000 1.142 305 V CB -0.485 31.320 31.823 -0.029 0.000 0.730 305 V HN 0.303 nan 8.190 nan 0.000 0.503 306 A N -1.003 121.895 122.820 0.129 0.000 2.016 306 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 306 A C 2.258 179.918 177.584 0.128 0.000 1.162 306 A CA 1.364 53.505 52.037 0.175 0.000 0.662 306 A CB -0.343 18.750 19.000 0.154 0.000 0.812 306 A HN 0.367 nan 8.150 nan 0.000 0.450 307 V N 0.854 120.802 119.914 0.056 0.000 2.282 307 V HA -0.216 3.903 4.120 -0.001 0.000 0.249 307 V C -0.076 175.996 176.094 -0.036 0.000 1.057 307 V CA 2.785 65.083 62.300 -0.003 0.000 1.032 307 V CB -1.476 30.304 31.823 -0.071 0.000 0.645 307 V HN 0.378 nan 8.190 nan 0.000 0.447 308 P HA -0.123 nan 4.420 nan 0.000 0.216 308 P C 2.000 179.339 177.300 0.066 0.000 1.153 308 P CA 1.857 64.784 63.100 -0.288 0.000 0.858 308 P CB -0.088 30.920 31.700 -1.154 0.000 0.789 309 S N -1.238 114.629 115.700 0.278 0.000 2.406 309 S HA -0.019 4.450 4.470 -0.001 0.000 0.228 309 S C 1.767 176.552 174.600 0.307 0.000 1.020 309 S CA 0.770 59.260 58.200 0.484 0.000 0.965 309 S CB -0.939 62.659 63.200 0.663 0.000 0.798 309 S HN 0.089 nan 8.310 nan 0.000 0.488 310 L N 0.705 122.055 121.223 0.212 0.000 2.046 310 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 310 L C 2.470 179.433 176.870 0.156 0.000 1.077 310 L CA 1.179 56.121 54.840 0.170 0.000 0.747 310 L CB -0.461 41.667 42.059 0.116 0.000 0.896 310 L HN 0.359 nan 8.230 nan 0.000 0.432 311 M N -1.069 118.601 119.600 0.117 0.000 2.067 311 M HA -0.187 4.292 4.480 -0.001 0.000 0.260 311 M C 2.341 178.747 176.300 0.178 0.000 1.069 311 M CA 1.983 57.352 55.300 0.115 0.000 1.117 311 M CB -0.696 31.944 32.600 0.066 0.000 1.334 311 M HN 0.180 nan 8.290 nan 0.000 0.407 312 T N 1.040 115.693 114.554 0.165 0.000 2.685 312 T HA -0.209 4.141 4.350 -0.001 0.000 0.268 312 T C 1.855 176.547 174.700 -0.012 0.000 1.034 312 T CA 1.701 63.827 62.100 0.042 0.000 1.149 312 T CB -0.460 68.285 68.868 -0.204 0.000 0.860 312 T HN 0.527 nan 8.240 nan 0.000 0.449 313 A N 0.708 123.588 122.820 0.100 0.000 1.883 313 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 313 A C 2.039 179.697 177.584 0.122 0.000 1.186 313 A CA 1.638 53.748 52.037 0.122 0.000 0.624 313 A CB -0.955 18.163 19.000 0.198 0.000 0.822 313 A HN 0.501 nan 8.150 nan 0.000 0.444 314 F N 0.902 120.874 119.950 0.037 0.000 2.128 314 F HA -0.079 4.447 4.527 -0.001 0.000 0.295 314 F C 2.595 178.398 175.800 0.005 0.000 1.100 314 F CA 2.138 60.153 58.000 0.025 0.000 1.260 314 F CB -0.580 38.436 39.000 0.026 0.000 1.009 314 F HN 0.200 nan 8.300 nan 0.000 0.476 315 T N -0.018 114.704 114.554 0.280 0.000 2.720 315 T HA -0.177 4.173 4.350 -0.001 0.000 0.268 315 T C 2.139 176.859 174.700 0.033 0.000 1.037 315 T CA 1.744 63.958 62.100 0.189 0.000 1.144 315 T CB -0.641 68.396 68.868 0.283 0.000 0.864 315 T HN 0.104 nan 8.240 nan 0.000 0.444 316 V N 1.477 121.360 119.914 -0.051 0.000 2.323 316 V HA -0.089 4.031 4.120 -0.001 0.000 0.244 316 V C 2.880 178.924 176.094 -0.083 0.000 1.041 316 V CA 1.516 63.744 62.300 -0.119 0.000 1.025 316 V CB -1.200 30.479 31.823 -0.240 0.000 0.656 316 V HN 0.515 nan 8.190 nan 0.000 0.451 317 A N 0.227 122.987 122.820 -0.099 0.000 1.908 317 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 317 A C 2.422 179.844 177.584 -0.270 0.000 1.181 317 A CA 2.259 54.224 52.037 -0.120 0.000 0.627 317 A CB -0.844 18.075 19.000 -0.136 0.000 0.818 317 A HN 0.572 nan 8.150 nan 0.000 0.445 318 A N -0.760 121.853 122.820 -0.345 0.000 1.933 318 A HA -0.054 4.265 4.320 -0.001 0.000 0.218 318 A C 2.423 179.907 177.584 -0.167 0.000 1.175 318 A CA 2.035 53.863 52.037 -0.349 0.000 0.628 318 A CB -0.782 18.022 19.000 -0.326 0.000 0.814 318 A HN 0.453 nan 8.150 nan 0.000 0.444 319 S N -0.316 115.332 115.700 -0.086 0.000 2.402 319 S HA -0.028 4.441 4.470 -0.001 0.000 0.229 319 S C 1.772 176.423 174.600 0.084 0.000 1.021 319 S CA 1.234 59.439 58.200 0.009 0.000 0.974 319 S CB -0.351 62.857 63.200 0.013 0.000 0.800 319 S HN 0.507 nan 8.310 nan 0.000 0.484 320 L N 1.107 122.357 121.223 0.044 0.000 2.109 320 L HA -0.052 4.287 4.340 -0.001 0.000 0.207 320 L C 2.680 179.629 176.870 0.131 0.000 1.086 320 L CA 1.190 56.129 54.840 0.164 0.000 0.760 320 L CB -0.382 41.842 42.059 0.274 0.000 0.910 320 L HN 0.357 nan 8.230 nan 0.000 0.437 321 E N 0.195 120.221 120.200 -0.290 0.000 2.072 321 E HA -0.275 4.075 4.350 -0.001 0.000 0.191 321 E C 2.190 178.680 176.600 -0.183 0.000 0.985 321 E CA 1.250 57.221 56.400 -0.716 0.000 0.801 321 E CB -0.122 28.816 29.700 -1.270 0.000 0.750 321 E HN 0.383 nan 8.360 nan 0.000 0.452 322 F N 1.175 120.996 119.950 -0.214 0.000 2.095 322 F HA -0.210 4.316 4.527 -0.001 0.000 0.298 322 F C 2.169 177.950 175.800 -0.033 0.000 1.104 322 F CA 1.844 59.779 58.000 -0.109 0.000 1.232 322 F CB -0.378 38.568 39.000 -0.090 0.000 0.987 322 F HN 0.112 nan 8.300 nan 0.000 0.475 323 A N 0.316 123.195 122.820 0.098 0.000 1.908 323 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 323 A C 2.450 180.020 177.584 -0.024 0.000 1.181 323 A CA 1.729 53.773 52.037 0.012 0.000 0.627 323 A CB -1.862 17.193 19.000 0.091 0.000 0.818 323 A HN 0.530 nan 8.150 nan 0.000 0.445 324 G N -0.810 108.053 108.800 0.106 0.000 2.432 324 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.219 324 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.219 324 G C 1.697 176.659 174.900 0.103 0.000 1.135 324 G CA 0.808 46.022 45.100 0.190 0.000 0.767 324 G HN 0.399 nan 8.290 nan 0.000 0.550 325 R N -0.236 120.267 120.500 0.004 0.000 2.066 325 R HA 0.075 4.414 4.340 -0.001 0.000 0.232 325 R C 2.545 178.765 176.300 -0.133 0.000 1.131 325 R CA 0.484 56.547 56.100 -0.061 0.000 0.955 325 R CB -1.189 29.028 30.300 -0.138 0.000 0.851 325 R HN 0.327 nan 8.270 nan 0.000 0.432 326 L N 1.212 122.281 121.223 -0.257 0.000 2.187 326 L HA -0.141 4.199 4.340 -0.001 0.000 0.213 326 L C 2.176 178.974 176.870 -0.120 0.000 1.100 326 L CA 1.583 56.284 54.840 -0.232 0.000 0.765 326 L CB -0.419 41.459 42.059 -0.302 0.000 0.904 326 L HN 0.050 nan 8.230 nan 0.000 0.437 327 R N -0.313 120.137 120.500 -0.083 0.000 2.313 327 R HA 0.234 4.574 4.340 -0.001 0.000 0.199 327 R C 0.872 177.159 176.300 -0.023 0.000 0.958 327 R CA 0.774 56.845 56.100 -0.049 0.000 1.047 327 R CB -0.084 30.190 30.300 -0.044 0.000 0.955 327 R HN 0.411 nan 8.270 nan 0.000 0.481 328 G N 0.791 109.578 108.800 -0.021 0.000 2.226 328 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.176 328 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.176 328 G C 0.295 175.212 174.900 0.029 0.000 1.042 328 G CA -0.349 44.750 45.100 -0.002 0.000 0.732 328 G HN 0.451 nan 8.290 nan 0.000 0.494 329 G N -0.134 108.697 108.800 0.052 0.000 2.313 329 G HA2 0.459 4.419 3.960 -0.001 0.000 0.250 329 G HA3 0.459 4.419 3.960 -0.001 0.000 0.250 329 G C 0.966 175.930 174.900 0.107 0.000 1.281 329 G CA 0.404 45.577 45.100 0.122 0.000 0.917 329 G HN 0.665 nan 8.290 nan 0.000 0.501 330 R N 2.228 122.793 120.500 0.107 0.000 1.730 330 R HA 0.188 4.527 4.340 -0.001 0.000 0.133 330 R C 1.900 178.257 176.300 0.094 0.000 0.773 330 R CA 0.518 56.667 56.100 0.081 0.000 1.633 330 R CB -0.531 29.808 30.300 0.064 0.000 0.594 330 R HN 0.540 nan 8.270 nan 0.000 0.666 331 G N 0.104 108.958 108.800 0.091 0.000 3.227 331 G HA2 0.163 4.123 3.960 -0.001 0.000 0.171 331 G HA3 0.163 4.123 3.960 -0.001 0.000 0.171 331 G C 0.612 175.561 174.900 0.082 0.000 1.463 331 G CA -0.415 44.725 45.100 0.066 0.000 1.016 331 G HN 0.226 nan 8.290 nan 0.000 0.594 332 L N -1.212 119.970 121.223 -0.068 0.000 2.265 332 L HA 0.236 4.575 4.340 -0.001 0.000 0.215 332 L C 1.144 177.758 176.870 -0.427 0.000 1.117 332 L CA 1.693 56.357 54.840 -0.293 0.000 0.782 332 L CB -0.223 41.478 42.059 -0.597 0.000 0.914 332 L HN 0.307 nan 8.230 nan 0.000 0.441 333 F N -2.231 117.774 119.950 0.092 0.000 2.899 333 F HA 0.406 4.932 4.527 -0.001 0.000 0.337 333 F C 1.894 177.514 175.800 -0.301 0.000 1.129 333 F CA -0.012 57.869 58.000 -0.198 0.000 1.128 333 F CB -0.643 38.273 39.000 -0.141 0.000 1.154 333 F HN -0.106 nan 8.300 nan 0.000 0.531 334 G N 1.243 110.070 108.800 0.046 0.000 2.408 334 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.217 334 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.217 334 G C 1.523 176.453 174.900 0.049 0.000 1.150 334 G CA 0.873 46.004 45.100 0.053 0.000 0.776 334 G HN 0.516 nan 8.290 nan 0.000 0.542 335 W N 1.061 122.418 121.300 0.095 0.000 2.350 335 W HA -0.020 4.639 4.660 -0.001 0.000 0.289 335 W C 1.836 178.452 176.519 0.161 0.000 1.215 335 W CA 0.447 57.845 57.345 0.089 0.000 1.236 335 W CB -1.144 28.355 29.460 0.065 0.000 1.130 335 W HN 0.222 nan 8.180 nan 0.000 0.541 336 I N 1.118 121.321 120.570 -0.611 0.000 2.226 336 I HA -0.264 3.906 4.170 -0.001 0.000 0.245 336 I C 2.805 178.999 176.117 0.127 0.000 1.100 336 I CA 1.693 62.764 61.300 -0.380 0.000 1.374 336 I CB -0.623 37.003 38.000 -0.622 0.000 1.057 336 I HN -0.078 nan 8.210 nan 0.000 0.413 337 R N 1.396 121.909 120.500 0.022 0.000 2.236 337 R HA 0.080 4.420 4.340 -0.001 0.000 0.208 337 R C 1.946 178.346 176.300 0.167 0.000 1.036 337 R CA 1.094 57.241 56.100 0.079 0.000 1.001 337 R CB -0.425 29.861 30.300 -0.024 0.000 0.896 337 R HN 0.316 nan 8.270 nan 0.000 0.464 338 A N 0.309 123.212 122.820 0.137 0.000 2.067 338 A HA 0.125 4.445 4.320 -0.001 0.000 0.217 338 A C 0.389 177.999 177.584 0.042 0.000 1.156 338 A CA 0.136 52.228 52.037 0.092 0.000 0.683 338 A CB -0.260 18.788 19.000 0.080 0.000 0.808 338 A HN 0.124 nan 8.150 nan 0.000 0.455 339 L N -0.532 120.717 121.223 0.043 0.000 2.483 339 L HA 0.139 4.479 4.340 -0.001 0.000 0.277 339 L C -2.213 174.358 176.870 -0.499 0.000 1.248 339 L CA -1.423 53.195 54.840 -0.370 0.000 0.825 339 L CB -0.635 41.070 42.059 -0.591 0.000 1.096 339 L HN 0.018 nan 8.230 nan 0.000 0.512 340 P HA 0.063 nan 4.420 nan 0.000 0.225 340 P C -0.137 176.925 177.300 -0.397 0.000 1.813 340 P CA 0.012 62.791 63.100 -0.534 0.000 1.013 340 P CB -0.417 31.002 31.700 -0.468 0.000 1.961 341 W N 1.025 122.310 121.300 -0.026 0.000 2.747 341 W HA -0.064 4.596 4.660 -0.001 0.000 0.244 341 W C 1.319 177.937 176.519 0.165 0.000 1.270 341 W CA 0.540 58.004 57.345 0.199 0.000 1.333 341 W CB -0.519 29.067 29.460 0.210 0.000 1.139 341 W HN 0.297 nan 8.180 nan 0.000 0.662 342 D N -1.082 119.436 120.400 0.197 0.000 2.360 342 D HA -0.023 4.617 4.640 -0.001 0.000 0.210 342 D C 0.043 176.388 176.300 0.075 0.000 1.047 342 D CA 0.097 54.179 54.000 0.137 0.000 0.854 342 D CB -0.338 40.513 40.800 0.085 0.000 0.936 342 D HN 0.081 nan 8.370 nan 0.000 0.514 343 N N 1.699 120.435 118.700 0.061 0.000 2.446 343 N HA 0.156 4.896 4.740 -0.001 0.000 0.265 343 N C -1.779 173.743 175.510 0.020 0.000 0.975 343 N CA -2.149 50.915 53.050 0.024 0.000 0.928 343 N CB 2.301 40.807 38.487 0.031 0.000 1.160 343 N HN -0.279 nan 8.380 nan 0.000 0.495 344 P HA -0.096 nan 4.420 nan 0.000 0.220 344 P C 0.732 177.983 177.300 -0.081 0.000 1.148 344 P CA 0.801 63.771 63.100 -0.218 0.000 0.803 344 P CB 0.236 31.530 31.700 -0.677 0.000 0.782 345 A N -0.934 121.910 122.820 0.040 0.000 2.067 345 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 345 A C 1.987 179.650 177.584 0.133 0.000 1.158 345 A CA 0.961 53.129 52.037 0.219 0.000 0.661 345 A CB -1.512 17.735 19.000 0.411 0.000 0.801 345 A HN 0.219 nan 8.150 nan 0.000 0.452 346 F N -0.092 119.818 119.950 -0.065 0.000 2.188 346 F HA 0.022 4.548 4.527 -0.001 0.000 0.289 346 F C 2.085 177.736 175.800 -0.249 0.000 1.082 346 F CA 1.421 59.324 58.000 -0.161 0.000 1.282 346 F CB -0.276 38.583 39.000 -0.236 0.000 1.060 346 F HN -0.024 nan 8.300 nan 0.000 0.493 347 V N 1.359 121.060 119.914 -0.356 0.000 2.295 347 V HA -0.300 3.820 4.120 -0.001 0.000 0.246 347 V C 2.834 178.648 176.094 -0.466 0.000 1.049 347 V CA 1.895 63.918 62.300 -0.461 0.000 1.024 347 V CB -1.751 30.039 31.823 -0.056 0.000 0.648 347 V HN 0.511 nan 8.190 nan 0.000 0.447 348 A N 1.272 123.913 122.820 -0.298 0.000 1.859 348 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 348 A C 0.855 178.276 177.584 -0.271 0.000 1.198 348 A CA 2.481 54.369 52.037 -0.248 0.000 0.629 348 A CB -2.114 16.814 19.000 -0.121 0.000 0.830 348 A HN 0.586 nan 8.150 nan 0.000 0.446 349 P HA -0.071 nan 4.420 nan 0.000 0.218 349 P C 1.609 178.721 177.300 -0.312 0.000 1.149 349 P CA 1.417 64.383 63.100 -0.224 0.000 0.817 349 P CB -0.240 31.369 31.700 -0.152 0.000 0.785 350 V N 0.379 119.992 119.914 -0.501 0.000 2.343 350 V HA -0.207 3.912 4.120 -0.001 0.000 0.247 350 V C 2.810 178.678 176.094 -0.376 0.000 1.051 350 V CA 1.531 63.538 62.300 -0.488 0.000 1.036 350 V CB -1.155 30.170 31.823 -0.831 0.000 0.654 350 V HN 0.017 nan 8.190 nan 0.000 0.451 351 L N 0.149 121.058 121.223 -0.523 0.000 2.056 351 L HA -0.058 4.281 4.340 -0.001 0.000 0.207 351 L C 2.664 179.254 176.870 -0.467 0.000 1.078 351 L CA 1.636 55.975 54.840 -0.834 0.000 0.749 351 L CB -1.165 40.135 42.059 -1.265 0.000 0.901 351 L HN 0.465 nan 8.230 nan 0.000 0.433 352 G N 0.259 108.921 108.800 -0.230 0.000 2.442 352 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.219 352 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.219 352 G C 1.622 176.555 174.900 0.055 0.000 1.141 352 G CA 0.660 45.754 45.100 -0.009 0.000 0.763 352 G HN 0.248 nan 8.290 nan 0.000 0.554 353 L N -0.467 120.735 121.223 -0.035 0.000 2.141 353 L HA 0.014 4.353 4.340 -0.001 0.000 0.209 353 L C 2.702 179.671 176.870 0.165 0.000 1.094 353 L CA -0.019 54.850 54.840 0.048 0.000 0.763 353 L CB -0.306 41.734 42.059 -0.032 0.000 0.908 353 L HN 0.112 nan 8.230 nan 0.000 0.437 354 L N 0.083 121.359 121.223 0.089 0.000 1.994 354 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 354 L C 2.573 179.605 176.870 0.270 0.000 1.071 354 L CA 2.176 57.109 54.840 0.155 0.000 0.745 354 L CB -1.700 40.402 42.059 0.072 0.000 0.892 354 L HN 0.208 nan 8.230 nan 0.000 0.431 355 G N -2.398 106.629 108.800 0.380 0.000 2.509 355 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.218 355 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.218 355 G C 1.534 176.609 174.900 0.291 0.000 1.124 355 G CA 0.161 45.470 45.100 0.349 0.000 0.776 355 G HN 0.314 nan 8.290 nan 0.000 0.547 356 F N 1.053 121.094 119.950 0.152 0.000 2.365 356 F HA 0.150 4.677 4.527 -0.001 0.000 0.300 356 F C 2.307 178.197 175.800 0.150 0.000 1.090 356 F CA 0.336 58.425 58.000 0.148 0.000 1.408 356 F CB 0.058 39.151 39.000 0.155 0.000 1.060 356 F HN 0.090 nan 8.300 nan 0.000 0.534 357 I N 0.590 121.297 120.570 0.229 0.000 2.133 357 I HA -0.215 3.954 4.170 -0.001 0.000 0.238 357 I C -0.411 175.743 176.117 0.061 0.000 1.074 357 I CA 1.204 62.591 61.300 0.144 0.000 1.342 357 I CB -1.751 36.341 38.000 0.153 0.000 1.053 357 I HN 0.010 nan 8.210 nan 0.000 0.404 358 P HA -0.124 nan 4.420 nan 0.000 0.216 358 P C 1.574 178.860 177.300 -0.025 0.000 1.150 358 P CA 1.617 64.701 63.100 -0.028 0.000 0.837 358 P CB -0.232 31.421 31.700 -0.078 0.000 0.786 359 G N -0.158 108.633 108.800 -0.015 0.000 2.421 359 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.216 359 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.216 359 G C 1.807 176.712 174.900 0.009 0.000 1.171 359 G CA 0.975 46.066 45.100 -0.015 0.000 0.775 359 G HN 0.361 nan 8.290 nan 0.000 0.543 360 G N 0.916 109.616 108.800 -0.167 0.000 2.408 360 G HA2 0.095 4.055 3.960 -0.001 0.000 0.217 360 G HA3 0.095 4.055 3.960 -0.001 0.000 0.217 360 G C 2.030 176.956 174.900 0.043 0.000 1.150 360 G CA 1.453 46.500 45.100 -0.089 0.000 0.776 360 G HN 0.649 nan 8.290 nan 0.000 0.542 361 A N 0.989 123.841 122.820 0.053 0.000 1.902 361 A HA 0.140 4.459 4.320 -0.001 0.000 0.217 361 A C 2.703 180.366 177.584 0.132 0.000 1.181 361 A CA 2.094 54.184 52.037 0.088 0.000 0.623 361 A CB -1.069 17.976 19.000 0.075 0.000 0.818 361 A HN 0.500 nan 8.150 nan 0.000 0.443 362 G N -0.590 108.292 108.800 0.136 0.000 2.418 362 G HA2 0.003 3.962 3.960 -0.001 0.000 0.217 362 G HA3 0.003 3.962 3.960 -0.001 0.000 0.217 362 G C 1.538 176.483 174.900 0.074 0.000 1.158 362 G CA 1.296 46.518 45.100 0.203 0.000 0.771 362 G HN 0.716 nan 8.290 nan 0.000 0.545 363 G N 1.037 109.773 108.800 -0.107 0.000 2.418 363 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.217 363 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.217 363 G C 1.773 176.637 174.900 -0.060 0.000 1.158 363 G CA 0.787 45.741 45.100 -0.243 0.000 0.771 363 G HN 0.440 nan 8.290 nan 0.000 0.545 364 I N 0.329 120.916 120.570 0.028 0.000 2.264 364 I HA -0.170 4.000 4.170 -0.001 0.000 0.248 364 I C 2.741 178.890 176.117 0.054 0.000 1.111 364 I CA 0.411 61.738 61.300 0.046 0.000 1.382 364 I CB -0.210 37.834 38.000 0.073 0.000 1.060 364 I HN 0.042 nan 8.210 nan 0.000 0.418 365 V N 1.378 121.352 119.914 0.099 0.000 2.237 365 V HA -0.277 3.842 4.120 -0.001 0.000 0.245 365 V C 2.107 178.238 176.094 0.060 0.000 1.046 365 V CA 2.081 64.443 62.300 0.103 0.000 1.007 365 V CB -0.795 31.162 31.823 0.223 0.000 0.638 365 V HN 0.470 nan 8.190 nan 0.000 0.445 366 N N 0.931 119.683 118.700 0.087 0.000 2.258 366 N HA -0.148 4.591 4.740 -0.001 0.000 0.187 366 N C 1.568 177.130 175.510 0.087 0.000 1.012 366 N CA 1.590 54.680 53.050 0.067 0.000 0.870 366 N CB -0.457 38.054 38.487 0.039 0.000 0.977 366 N HN 0.539 nan 8.380 nan 0.000 0.434 367 A N -0.117 122.720 122.820 0.028 0.000 2.238 367 A HA 0.123 4.442 4.320 -0.001 0.000 0.208 367 A C 1.363 179.034 177.584 0.146 0.000 1.177 367 A CA 0.093 52.173 52.037 0.072 0.000 0.804 367 A CB -0.034 18.916 19.000 -0.084 0.000 0.823 367 A HN 0.121 nan 8.150 nan 0.000 0.482 368 S N -0.158 115.576 115.700 0.055 0.000 2.815 368 S HA 0.294 4.763 4.470 -0.001 0.000 0.254 368 S C 0.514 175.051 174.600 -0.105 0.000 1.197 368 S CA -0.184 58.013 58.200 -0.005 0.000 1.216 368 S CB -1.283 61.910 63.200 -0.012 0.000 0.871 368 S HN 0.592 nan 8.310 nan 0.000 0.473 369 F N 1.514 121.067 119.950 -0.662 0.000 2.158 369 F HA -0.505 4.022 4.527 -0.001 0.000 0.446 369 F C 2.287 177.520 175.800 -0.945 0.000 1.089 369 F CA 2.081 59.235 58.000 -1.410 0.000 1.751 369 F CB -1.422 37.127 39.000 -0.751 0.000 0.996 369 F HN 0.462 nan 8.300 nan 0.000 0.226 370 T N -0.004 114.339 114.554 -0.352 0.000 2.881 370 T HA -0.131 4.218 4.350 -0.001 0.000 0.270 370 T C 1.307 175.952 174.700 -0.091 0.000 1.068 370 T CA 1.522 63.497 62.100 -0.208 0.000 1.131 370 T CB -0.475 68.251 68.868 -0.236 0.000 0.871 370 T HN 0.317 nan 8.240 nan 0.000 0.479 371 L N 1.674 122.810 121.223 -0.144 0.000 2.376 371 L HA 0.146 4.485 4.340 -0.001 0.000 0.219 371 L C 2.192 178.979 176.870 -0.139 0.000 1.133 371 L CA 1.111 55.885 54.840 -0.110 0.000 0.816 371 L CB -0.904 41.100 42.059 -0.092 0.000 0.933 371 L HN 0.246 nan 8.230 nan 0.000 0.449 372 D N -1.288 118.988 120.400 -0.207 0.000 2.219 372 D HA -0.220 4.419 4.640 -0.001 0.000 0.205 372 D C 2.001 178.216 176.300 -0.142 0.000 0.970 372 D CA 1.063 54.973 54.000 -0.151 0.000 0.851 372 D CB -0.023 40.751 40.800 -0.044 0.000 0.943 372 D HN 0.434 nan 8.370 nan 0.000 0.488 373 Y N -0.797 119.507 120.300 0.006 0.000 2.569 373 Y HA -0.080 4.469 4.550 -0.001 0.000 0.293 373 Y C 2.197 178.096 175.900 -0.002 0.000 1.144 373 Y CA 0.025 58.134 58.100 0.016 0.000 1.321 373 Y CB 0.131 38.574 38.460 -0.028 0.000 0.982 373 Y HN -0.039 nan 8.280 nan 0.000 0.558 374 V N -0.950 118.991 119.914 0.045 0.000 2.446 374 V HA -0.165 3.954 4.120 -0.001 0.000 0.244 374 V C 1.873 177.915 176.094 -0.087 0.000 1.039 374 V CA 1.637 63.913 62.300 -0.039 0.000 1.045 374 V CB -0.035 31.704 31.823 -0.139 0.000 0.681 374 V HN 0.406 nan 8.190 nan 0.000 0.459 375 V N -3.126 116.694 119.914 -0.156 0.000 3.605 375 V HA 0.332 4.451 4.120 -0.001 0.000 0.284 375 V C 1.037 177.168 176.094 0.063 0.000 1.386 375 V CA -0.194 61.997 62.300 -0.182 0.000 1.053 375 V CB -0.866 30.517 31.823 -0.734 0.000 0.857 375 V HN 0.529 nan 8.190 nan 0.000 0.436 376 H N 2.830 121.917 119.070 0.028 0.000 3.115 376 H HA 0.128 4.684 4.556 -0.001 0.000 0.324 376 H C 1.124 176.540 175.328 0.146 0.000 1.007 376 H CA 1.515 57.626 56.048 0.105 0.000 1.385 376 H CB 0.059 29.882 29.762 0.101 0.000 1.351 376 H HN 0.481 nan 8.280 nan 0.000 0.592 377 N N 1.149 119.655 118.700 -0.323 0.000 2.713 377 N HA -0.242 4.498 4.740 -0.001 0.000 0.251 377 N C -0.206 175.330 175.510 0.045 0.000 1.117 377 N CA 1.509 54.466 53.050 -0.154 0.000 0.770 377 N CB -1.557 36.802 38.487 -0.212 0.000 1.137 377 N HN 0.813 nan 8.380 nan 0.000 0.566 378 T N -4.777 109.835 114.554 0.096 0.000 2.910 378 T HA 0.745 5.095 4.350 -0.001 0.000 0.279 378 T C 1.449 176.223 174.700 0.124 0.000 0.989 378 T CA -0.116 62.056 62.100 0.120 0.000 0.968 378 T CB 1.685 70.630 68.868 0.129 0.000 1.135 378 T HN 0.076 nan 8.240 nan 0.000 0.562 379 A N -0.221 122.651 122.820 0.086 0.000 2.178 379 A HA 0.021 4.340 4.320 -0.001 0.000 0.218 379 A C 1.852 179.413 177.584 -0.038 0.000 1.157 379 A CA 0.796 52.806 52.037 -0.044 0.000 0.689 379 A CB -1.263 17.688 19.000 -0.082 0.000 0.787 379 A HN 0.899 nan 8.150 nan 0.000 0.465 380 W N 0.849 122.074 121.300 -0.125 0.000 2.363 380 W HA -0.173 4.486 4.660 -0.001 0.000 0.296 380 W C 1.474 177.844 176.519 -0.247 0.000 1.212 380 W CA 2.071 59.283 57.345 -0.222 0.000 1.260 380 W CB -0.496 28.921 29.460 -0.070 0.000 1.131 380 W HN 0.199 nan 8.180 nan 0.000 0.530 381 V N 2.189 122.230 119.914 0.213 0.000 2.295 381 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 381 V C -0.575 175.409 176.094 -0.184 0.000 1.049 381 V CA 2.325 64.760 62.300 0.225 0.000 1.024 381 V CB -2.250 29.805 31.823 0.388 0.000 0.648 381 V HN -0.042 nan 8.190 nan 0.000 0.447 382 P HA -0.068 nan 4.420 nan 0.000 0.220 382 P C 1.692 178.519 177.300 -0.788 0.000 1.148 382 P CA 1.655 64.080 63.100 -1.124 0.000 0.803 382 P CB -0.267 31.170 31.700 -0.438 0.000 0.782 383 G N -0.590 107.865 108.800 -0.575 0.000 2.402 383 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.216 383 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.216 383 G C 1.530 176.187 174.900 -0.405 0.000 1.162 383 G CA 1.126 45.893 45.100 -0.554 0.000 0.777 383 G HN 0.312 nan 8.290 nan 0.000 0.539 384 H N 1.457 120.165 119.070 -0.603 0.000 2.267 384 H HA -0.145 4.410 4.556 -0.001 0.000 0.297 384 H C 2.175 177.497 175.328 -0.010 0.000 1.080 384 H CA 2.117 58.019 56.048 -0.244 0.000 1.278 384 H CB -0.821 28.856 29.762 -0.143 0.000 1.365 384 H HN 0.430 nan 8.280 nan 0.000 0.489 385 F N -1.160 118.595 119.950 -0.324 0.000 2.502 385 F HA 0.091 4.617 4.527 -0.001 0.000 0.298 385 F C 1.762 177.448 175.800 -0.191 0.000 1.111 385 F CA 0.867 58.666 58.000 -0.336 0.000 1.445 385 F CB -1.094 37.848 39.000 -0.097 0.000 1.081 385 F HN 0.188 nan 8.300 nan 0.000 0.558 386 H N 0.371 119.426 119.070 -0.024 0.000 2.495 386 H HA 0.117 4.673 4.556 -0.001 0.000 0.287 386 H C 1.949 177.327 175.328 0.084 0.000 1.033 386 H CA 1.401 57.494 56.048 0.074 0.000 1.307 386 H CB -0.145 29.586 29.762 -0.053 0.000 1.401 386 H HN 0.336 nan 8.280 nan 0.000 0.555 387 L N -0.098 121.198 121.223 0.121 0.000 2.313 387 L HA -0.112 4.227 4.340 -0.001 0.000 0.214 387 L C 1.862 178.860 176.870 0.215 0.000 1.119 387 L CA 0.607 55.533 54.840 0.143 0.000 0.809 387 L CB 0.024 42.131 42.059 0.080 0.000 0.933 387 L HN 0.336 nan 8.230 nan 0.000 0.449 388 Q N -1.048 118.839 119.800 0.146 0.000 2.141 388 Q HA -0.047 4.292 4.340 -0.001 0.000 0.194 388 Q C 2.193 178.369 176.000 0.294 0.000 0.975 388 Q CA 1.262 57.235 55.803 0.284 0.000 0.834 388 Q CB -0.516 28.273 28.738 0.084 0.000 0.916 388 Q HN 0.317 nan 8.270 nan 0.000 0.484 389 V N 0.748 120.786 119.914 0.206 0.000 2.500 389 V HA 0.107 4.226 4.120 -0.001 0.000 0.243 389 V C 1.932 178.082 176.094 0.093 0.000 1.039 389 V CA 1.516 63.898 62.300 0.138 0.000 1.053 389 V CB -0.270 31.601 31.823 0.080 0.000 0.695 389 V HN 0.315 nan 8.190 nan 0.000 0.463 390 A N -1.274 121.615 122.820 0.113 0.000 2.119 390 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 390 A C 2.311 180.117 177.584 0.370 0.000 1.153 390 A CA 1.911 54.074 52.037 0.211 0.000 0.692 390 A CB -0.311 18.834 19.000 0.240 0.000 0.799 390 A HN 0.560 nan 8.150 nan 0.000 0.458 391 S N -1.516 114.362 115.700 0.295 0.000 2.998 391 S HA 0.118 4.587 4.470 -0.001 0.000 0.208 391 S C 1.697 176.419 174.600 0.204 0.000 0.876 391 S CA 0.487 58.886 58.200 0.332 0.000 0.836 391 S CB -0.601 62.794 63.200 0.325 0.000 0.817 391 S HN 0.390 nan 8.310 nan 0.000 0.631 392 L N 2.702 124.042 121.223 0.194 0.000 1.989 392 L HA 0.003 4.342 4.340 -0.001 0.000 0.211 392 L C 2.231 179.095 176.870 -0.009 0.000 1.071 392 L CA 2.079 56.959 54.840 0.067 0.000 0.749 392 L CB -0.960 41.097 42.059 -0.004 0.000 0.890 392 L HN 0.295 nan 8.230 nan 0.000 0.431 393 V N -0.692 119.229 119.914 0.010 0.000 2.307 393 V HA -0.282 3.837 4.120 -0.001 0.000 0.245 393 V C 2.473 178.502 176.094 -0.109 0.000 1.045 393 V CA 2.241 64.511 62.300 -0.050 0.000 1.024 393 V CB -1.031 30.776 31.823 -0.027 0.000 0.651 393 V HN 0.573 nan 8.190 nan 0.000 0.449 394 T N 0.400 114.924 114.554 -0.049 0.000 2.746 394 T HA -0.122 4.228 4.350 -0.001 0.000 0.267 394 T C 1.907 176.451 174.700 -0.260 0.000 1.039 394 T CA 1.486 63.502 62.100 -0.141 0.000 1.142 394 T CB -0.298 68.475 68.868 -0.157 0.000 0.866 394 T HN 0.266 nan 8.240 nan 0.000 0.444 395 L N 0.675 121.787 121.223 -0.184 0.000 2.046 395 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 395 L C 2.929 179.725 176.870 -0.124 0.000 1.077 395 L CA 1.176 55.904 54.840 -0.187 0.000 0.747 395 L CB -0.969 41.034 42.059 -0.092 0.000 0.896 395 L HN 0.282 nan 8.230 nan 0.000 0.432 396 T N -0.211 114.289 114.554 -0.089 0.000 2.746 396 T HA -0.171 4.179 4.350 -0.001 0.000 0.267 396 T C 1.993 176.697 174.700 0.007 0.000 1.039 396 T CA 1.305 63.396 62.100 -0.015 0.000 1.142 396 T CB -0.221 68.661 68.868 0.022 0.000 0.866 396 T HN 0.449 nan 8.240 nan 0.000 0.444 397 A N 1.381 124.091 122.820 -0.183 0.000 1.877 397 A HA -0.042 4.277 4.320 -0.001 0.000 0.216 397 A C 2.350 179.977 177.584 0.072 0.000 1.186 397 A CA 1.525 53.366 52.037 -0.328 0.000 0.620 397 A CB -0.674 17.728 19.000 -0.997 0.000 0.822 397 A HN 0.447 nan 8.150 nan 0.000 0.443 398 M N -0.615 118.996 119.600 0.018 0.000 2.086 398 M HA -0.097 4.383 4.480 -0.001 0.000 0.261 398 M C 2.346 178.697 176.300 0.086 0.000 1.067 398 M CA 1.526 56.846 55.300 0.034 0.000 1.116 398 M CB -0.681 31.814 32.600 -0.175 0.000 1.348 398 M HN 0.503 nan 8.290 nan 0.000 0.407 399 G N -0.628 108.218 108.800 0.077 0.000 2.422 399 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.218 399 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.218 399 G C 1.517 176.540 174.900 0.205 0.000 1.146 399 G CA 1.095 46.296 45.100 0.168 0.000 0.769 399 G HN 0.448 nan 8.290 nan 0.000 0.547 400 S N 0.291 116.040 115.700 0.082 0.000 2.547 400 S HA 0.017 4.487 4.470 -0.001 0.000 0.235 400 S C 2.005 176.182 174.600 -0.705 0.000 0.980 400 S CA 0.116 58.148 58.200 -0.280 0.000 0.941 400 S CB -0.062 63.073 63.200 -0.108 0.000 0.763 400 S HN 0.140 nan 8.310 nan 0.000 0.532 401 L N 0.247 121.273 121.223 -0.327 0.000 2.201 401 L HA 0.028 4.367 4.340 -0.001 0.000 0.212 401 L C 1.548 178.107 176.870 -0.517 0.000 1.105 401 L CA 1.424 55.991 54.840 -0.455 0.000 0.775 401 L CB -1.122 40.642 42.059 -0.491 0.000 0.913 401 L HN 0.356 nan 8.230 nan 0.000 0.440 402 Y N -1.448 118.731 120.300 -0.202 0.000 2.352 402 Y HA -0.237 4.312 4.550 -0.001 0.000 0.292 402 Y C 2.114 178.028 175.900 0.023 0.000 1.136 402 Y CA 1.569 59.636 58.100 -0.055 0.000 1.227 402 Y CB -0.274 38.214 38.460 0.045 0.000 0.991 402 Y HN 0.370 nan 8.280 nan 0.000 0.545 403 W N -3.009 118.343 121.300 0.087 0.000 2.792 403 W HA 0.167 4.827 4.660 -0.001 0.000 0.262 403 W C 1.284 177.803 176.519 0.000 0.000 1.212 403 W CA 0.033 57.400 57.345 0.037 0.000 1.433 403 W CB -0.976 28.501 29.460 0.027 0.000 1.004 403 W HN -0.005 nan 8.180 nan 0.000 0.608 404 L N 1.603 122.483 121.223 -0.573 0.000 2.044 404 L HA -0.051 4.288 4.340 -0.001 0.000 0.205 404 L C 2.521 179.246 176.870 -0.242 0.000 1.075 404 L CA 1.552 56.103 54.840 -0.481 0.000 0.747 404 L CB -1.346 40.196 42.059 -0.861 0.000 0.903 404 L HN -0.116 nan 8.230 nan 0.000 0.435 405 L N 0.013 121.065 121.223 -0.284 0.000 2.012 405 L HA -0.137 4.202 4.340 -0.001 0.000 0.210 405 L C -0.474 176.317 176.870 -0.131 0.000 1.073 405 L CA 2.235 56.942 54.840 -0.221 0.000 0.748 405 L CB -1.764 40.115 42.059 -0.300 0.000 0.891 405 L HN 0.187 nan 8.230 nan 0.000 0.431 406 P HA -0.142 nan 4.420 nan 0.000 0.216 406 P C 1.376 178.673 177.300 -0.004 0.000 1.153 406 P CA 1.263 64.340 63.100 -0.038 0.000 0.844 406 P CB -0.173 31.527 31.700 -0.001 0.000 0.787 407 N N -0.331 118.387 118.700 0.029 0.000 2.364 407 N HA -0.110 4.629 4.740 -0.001 0.000 0.183 407 N C 1.318 176.859 175.510 0.051 0.000 1.022 407 N CA 1.037 54.126 53.050 0.066 0.000 0.883 407 N CB -0.165 38.415 38.487 0.156 0.000 0.965 407 N HN 0.169 nan 8.380 nan 0.000 0.438 408 L N -0.645 120.582 121.223 0.007 0.000 2.470 408 L HA 0.085 4.424 4.340 -0.001 0.000 0.219 408 L C 2.044 178.980 176.870 0.109 0.000 1.071 408 L CA 0.932 55.794 54.840 0.037 0.000 0.850 408 L CB 0.156 42.174 42.059 -0.069 0.000 1.040 408 L HN 0.178 nan 8.230 nan 0.000 0.475 409 T N -5.280 109.289 114.554 0.025 0.000 2.955 409 T HA 0.267 4.617 4.350 -0.001 0.000 0.251 409 T C 1.472 176.143 174.700 -0.048 0.000 1.002 409 T CA 0.596 62.701 62.100 0.009 0.000 0.970 409 T CB 0.947 69.803 68.868 -0.020 0.000 1.091 409 T HN 0.283 nan 8.240 nan 0.000 0.495 410 G N 1.848 110.623 108.800 -0.042 0.000 2.159 410 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.256 410 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.256 410 G C -0.103 174.772 174.900 -0.041 0.000 0.977 410 G CA 0.098 45.172 45.100 -0.044 0.000 0.652 410 G HN 0.662 nan 8.290 nan 0.000 0.531 411 K N 1.930 122.300 120.400 -0.050 0.000 2.276 411 K HA 0.400 4.719 4.320 -0.001 0.000 0.285 411 K C -1.928 174.643 176.600 -0.048 0.000 1.062 411 K CA -1.489 54.764 56.287 -0.055 0.000 0.918 411 K CB 1.741 34.194 32.500 -0.078 0.000 1.055 411 K HN 0.193 nan 8.250 nan 0.000 0.477 412 P HA 0.211 nan 4.420 nan 0.000 0.277 412 P C -0.542 176.748 177.300 -0.015 0.000 1.271 412 P CA -0.284 62.809 63.100 -0.011 0.000 0.795 412 P CB 0.921 32.621 31.700 0.000 0.000 1.101 413 I N 0.510 121.091 120.570 0.019 0.000 2.448 413 I HA 0.123 4.293 4.170 -0.001 0.000 0.281 413 I C 1.120 177.280 176.117 0.072 0.000 1.027 413 I CA -0.581 60.745 61.300 0.044 0.000 1.111 413 I CB 1.473 39.533 38.000 0.101 0.000 1.236 413 I HN 0.344 nan 8.210 nan 0.000 0.452 414 S N 3.163 118.896 115.700 0.056 0.000 2.592 414 S HA -0.029 4.440 4.470 -0.001 0.000 0.256 414 S C 0.959 175.606 174.600 0.080 0.000 1.369 414 S CA -0.196 58.038 58.200 0.057 0.000 0.984 414 S CB 0.982 64.209 63.200 0.045 0.000 0.919 414 S HN 0.738 nan 8.310 nan 0.000 0.576 415 D N 0.384 120.823 120.400 0.066 0.000 2.224 415 D HA -0.045 4.595 4.640 -0.001 0.000 0.205 415 D C 1.970 178.316 176.300 0.076 0.000 0.965 415 D CA 1.127 55.167 54.000 0.067 0.000 0.852 415 D CB -0.320 40.510 40.800 0.051 0.000 0.947 415 D HN 0.671 nan 8.370 nan 0.000 0.494 416 A N 0.672 123.537 122.820 0.076 0.000 1.898 416 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 416 A C 2.186 179.838 177.584 0.114 0.000 1.181 416 A CA 1.158 53.246 52.037 0.086 0.000 0.620 416 A CB -0.488 18.560 19.000 0.081 0.000 0.819 416 A HN 0.256 nan 8.150 nan 0.000 0.442 417 Q N -0.951 118.923 119.800 0.123 0.000 2.119 417 Q HA -0.149 4.191 4.340 -0.001 0.000 0.201 417 Q C 2.337 178.482 176.000 0.241 0.000 0.972 417 Q CA 1.433 57.335 55.803 0.165 0.000 0.847 417 Q CB -0.211 28.604 28.738 0.128 0.000 0.903 417 Q HN 0.696 nan 8.270 nan 0.000 0.433 418 R N 1.049 121.669 120.500 0.199 0.000 2.081 418 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 418 R C 2.042 178.360 176.300 0.031 0.000 1.131 418 R CA 1.346 57.499 56.100 0.089 0.000 0.960 418 R CB 0.070 30.401 30.300 0.052 0.000 0.856 418 R HN 0.136 nan 8.270 nan 0.000 0.436 419 R N 0.106 120.654 120.500 0.080 0.000 2.090 419 R HA -0.081 4.258 4.340 -0.001 0.000 0.228 419 R C 2.313 178.684 176.300 0.118 0.000 1.110 419 R CA 0.910 57.062 56.100 0.087 0.000 0.973 419 R CB -0.350 29.997 30.300 0.079 0.000 0.869 419 R HN 0.196 nan 8.270 nan 0.000 0.440 420 L N 0.596 121.903 121.223 0.141 0.000 2.046 420 L HA -0.013 4.326 4.340 -0.001 0.000 0.208 420 L C 2.043 179.031 176.870 0.198 0.000 1.077 420 L CA 2.063 57.005 54.840 0.171 0.000 0.747 420 L CB -0.987 41.191 42.059 0.198 0.000 0.896 420 L HN 0.144 nan 8.230 nan 0.000 0.432 421 G N -0.279 108.643 108.800 0.204 0.000 2.440 421 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.218 421 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.218 421 G C 1.614 176.592 174.900 0.131 0.000 1.154 421 G CA 1.127 46.352 45.100 0.208 0.000 0.767 421 G HN 0.452 nan 8.290 nan 0.000 0.552 422 L N 0.500 121.790 121.223 0.112 0.000 2.093 422 L HA -0.037 4.302 4.340 -0.001 0.000 0.208 422 L C 3.403 180.484 176.870 0.352 0.000 1.085 422 L CA 0.933 55.906 54.840 0.222 0.000 0.755 422 L CB -0.386 41.820 42.059 0.245 0.000 0.904 422 L HN 0.321 nan 8.230 nan 0.000 0.435 423 A N -0.333 122.649 122.820 0.270 0.000 1.898 423 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 423 A C 2.323 180.085 177.584 0.296 0.000 1.181 423 A CA 1.605 53.804 52.037 0.270 0.000 0.620 423 A CB -0.748 18.362 19.000 0.184 0.000 0.819 423 A HN 0.185 nan 8.150 nan 0.000 0.442 424 V N -0.430 119.647 119.914 0.272 0.000 2.343 424 V HA -0.223 3.896 4.120 -0.001 0.000 0.247 424 V C 2.571 178.842 176.094 0.296 0.000 1.051 424 V CA 1.980 64.457 62.300 0.296 0.000 1.036 424 V CB -0.697 31.312 31.823 0.310 0.000 0.654 424 V HN 0.371 nan 8.190 nan 0.000 0.451 425 V N -1.535 118.511 119.914 0.220 0.000 2.307 425 V HA -0.255 3.865 4.120 -0.001 0.000 0.245 425 V C 2.091 178.280 176.094 0.158 0.000 1.045 425 V CA 2.098 64.468 62.300 0.116 0.000 1.024 425 V CB -0.693 31.109 31.823 -0.034 0.000 0.651 425 V HN 0.632 nan 8.190 nan 0.000 0.449 426 W N -0.253 121.184 121.300 0.227 0.000 2.358 426 W HA -0.080 4.580 4.660 -0.001 0.000 0.303 426 W C 2.326 179.009 176.519 0.273 0.000 1.208 426 W CA 1.017 58.519 57.345 0.262 0.000 1.274 426 W CB -0.355 29.217 29.460 0.187 0.000 1.138 426 W HN 0.147 nan 8.180 nan 0.000 0.515 427 L N -1.231 120.256 121.223 0.441 0.000 2.027 427 L HA -0.242 4.097 4.340 -0.001 0.000 0.206 427 L C 2.428 179.452 176.870 0.257 0.000 1.074 427 L CA 1.238 56.257 54.840 0.297 0.000 0.745 427 L CB -1.075 41.130 42.059 0.244 0.000 0.898 427 L HN 0.226 nan 8.230 nan 0.000 0.433 428 W N 0.815 122.193 121.300 0.131 0.000 2.333 428 W HA -0.331 4.328 4.660 -0.001 0.000 0.316 428 W C 2.598 179.176 176.519 0.098 0.000 1.215 428 W CA 2.047 59.441 57.345 0.082 0.000 1.278 428 W CB -0.639 28.851 29.460 0.051 0.000 1.154 428 W HN 0.157 nan 8.180 nan 0.000 0.486 429 F N 0.929 121.029 119.950 0.250 0.000 2.069 429 F HA -0.302 4.224 4.527 -0.001 0.000 0.298 429 F C 2.252 178.095 175.800 0.071 0.000 1.113 429 F CA 1.973 60.046 58.000 0.122 0.000 1.214 429 F CB -0.910 38.093 39.000 0.004 0.000 0.978 429 F HN -0.240 nan 8.300 nan 0.000 0.474 430 L N 1.180 122.364 121.223 -0.066 0.000 2.013 430 L HA -0.144 4.196 4.340 -0.001 0.000 0.212 430 L C 2.836 179.577 176.870 -0.216 0.000 1.073 430 L CA 2.116 56.846 54.840 -0.184 0.000 0.753 430 L CB -1.841 40.269 42.059 0.084 0.000 0.890 430 L HN 0.356 nan 8.230 nan 0.000 0.432 431 G N -1.460 107.257 108.800 -0.139 0.000 2.446 431 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.217 431 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.217 431 G C 1.545 176.296 174.900 -0.250 0.000 1.168 431 G CA 0.919 45.905 45.100 -0.190 0.000 0.771 431 G HN 0.220 nan 8.290 nan 0.000 0.551 432 M N 0.038 119.470 119.600 -0.280 0.000 2.159 432 M HA 0.039 4.519 4.480 -0.001 0.000 0.263 432 M C 2.596 178.767 176.300 -0.216 0.000 1.063 432 M CA 0.951 56.112 55.300 -0.232 0.000 1.110 432 M CB -0.765 31.762 32.600 -0.120 0.000 1.374 432 M HN 0.177 nan 8.290 nan 0.000 0.411 433 M N -0.303 119.102 119.600 -0.326 0.000 2.132 433 M HA -0.097 4.383 4.480 -0.001 0.000 0.263 433 M C 2.274 178.428 176.300 -0.242 0.000 1.065 433 M CA 1.484 56.590 55.300 -0.323 0.000 1.122 433 M CB -1.257 31.040 32.600 -0.506 0.000 1.365 433 M HN 0.218 nan 8.290 nan 0.000 0.411 434 I N -0.402 120.023 120.570 -0.241 0.000 2.226 434 I HA -0.328 3.842 4.170 -0.001 0.000 0.245 434 I C 2.666 178.711 176.117 -0.121 0.000 1.100 434 I CA 1.271 62.441 61.300 -0.216 0.000 1.374 434 I CB -0.381 37.515 38.000 -0.175 0.000 1.057 434 I HN 0.288 nan 8.210 nan 0.000 0.413 435 M N 0.502 120.029 119.600 -0.122 0.000 2.175 435 M HA -0.171 4.309 4.480 -0.001 0.000 0.264 435 M C 2.413 178.675 176.300 -0.062 0.000 1.063 435 M CA 1.922 57.162 55.300 -0.100 0.000 1.119 435 M CB -0.091 32.392 32.600 -0.194 0.000 1.377 435 M HN 0.267 nan 8.290 nan 0.000 0.415 436 A N -0.372 122.410 122.820 -0.064 0.000 1.908 436 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 436 A C 2.035 179.707 177.584 0.147 0.000 1.181 436 A CA 1.993 54.057 52.037 0.044 0.000 0.627 436 A CB -1.169 17.821 19.000 -0.018 0.000 0.818 436 A HN 0.404 nan 8.150 nan 0.000 0.445 437 V N -0.111 119.818 119.914 0.026 0.000 2.295 437 V HA -0.193 3.926 4.120 -0.001 0.000 0.246 437 V C 2.850 179.154 176.094 0.351 0.000 1.049 437 V CA 2.051 64.412 62.300 0.101 0.000 1.024 437 V CB -1.546 30.253 31.823 -0.040 0.000 0.648 437 V HN 0.620 nan 8.190 nan 0.000 0.447 438 G N 0.048 109.044 108.800 0.327 0.000 2.459 438 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.217 438 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.217 438 G C 1.469 176.514 174.900 0.242 0.000 1.183 438 G CA 0.917 46.229 45.100 0.354 0.000 0.776 438 G HN 0.334 nan 8.290 nan 0.000 0.552 439 L N 0.307 121.597 121.223 0.112 0.000 2.056 439 L HA 0.001 4.340 4.340 -0.001 0.000 0.207 439 L C 2.525 179.450 176.870 0.092 0.000 1.078 439 L CA 1.724 56.564 54.840 0.000 0.000 0.749 439 L CB -1.645 40.294 42.059 -0.201 0.000 0.901 439 L HN 0.298 nan 8.230 nan 0.000 0.433 440 H N -2.374 116.740 119.070 0.075 0.000 2.321 440 H HA -0.230 4.326 4.556 -0.001 0.000 0.300 440 H C 1.893 177.473 175.328 0.421 0.000 1.087 440 H CA 2.069 58.213 56.048 0.160 0.000 1.319 440 H CB -0.174 29.537 29.762 -0.085 0.000 1.379 440 H HN 0.270 nan 8.280 nan 0.000 0.501 441 W N 1.589 123.068 121.300 0.298 0.000 2.332 441 W HA -0.175 4.485 4.660 -0.001 0.000 0.321 441 W C 2.636 179.274 176.519 0.200 0.000 1.219 441 W CA 1.899 59.390 57.345 0.243 0.000 1.277 441 W CB -0.978 28.610 29.460 0.212 0.000 1.161 441 W HN 0.217 nan 8.180 nan 0.000 0.476 442 A N 0.473 123.524 122.820 0.385 0.000 1.940 442 A HA -0.109 4.210 4.320 -0.001 0.000 0.219 442 A C 2.328 180.038 177.584 0.211 0.000 1.176 442 A CA 2.433 54.590 52.037 0.200 0.000 0.631 442 A CB -1.511 17.567 19.000 0.130 0.000 0.814 442 A HN 0.359 nan 8.150 nan 0.000 0.446 443 G N -0.248 108.711 108.800 0.264 0.000 2.418 443 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.217 443 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.217 443 G C 1.468 176.508 174.900 0.233 0.000 1.158 443 G CA 0.979 46.235 45.100 0.259 0.000 0.771 443 G HN 0.454 nan 8.290 nan 0.000 0.545 444 L N -0.033 121.373 121.223 0.304 0.000 2.362 444 L HA 0.141 4.481 4.340 -0.001 0.000 0.219 444 L C 1.887 178.870 176.870 0.188 0.000 1.134 444 L CA 0.239 55.203 54.840 0.207 0.000 0.807 444 L CB -0.102 42.110 42.059 0.255 0.000 0.927 444 L HN 0.174 nan 8.230 nan 0.000 0.447 445 L N -0.412 120.944 121.223 0.221 0.000 2.728 445 L HA 0.146 4.486 4.340 -0.001 0.000 0.235 445 L C 0.353 177.304 176.870 0.135 0.000 1.197 445 L CA 0.044 54.991 54.840 0.179 0.000 0.992 445 L CB -0.631 41.543 42.059 0.192 0.000 1.263 445 L HN 0.368 nan 8.230 nan 0.000 0.484 446 N N -1.772 116.999 118.700 0.117 0.000 2.778 446 N HA -0.173 4.567 4.740 -0.001 0.000 0.249 446 N C 0.109 175.662 175.510 0.072 0.000 1.069 446 N CA -0.005 53.107 53.050 0.103 0.000 0.831 446 N CB -1.001 37.551 38.487 0.110 0.000 1.142 446 N HN 0.080 nan 8.380 nan 0.000 0.573 447 V N 1.926 121.835 119.914 -0.009 0.000 2.529 447 V HA 0.148 4.268 4.120 -0.001 0.000 0.292 447 V C -1.188 174.867 176.094 -0.065 0.000 1.028 447 V CA -0.508 61.636 62.300 -0.259 0.000 1.074 447 V CB 0.496 32.169 31.823 -0.250 0.000 0.958 447 V HN 0.056 nan 8.190 nan 0.000 0.481 448 P HA 0.322 nan 4.420 nan 0.000 0.276 448 P C -0.736 176.674 177.300 0.185 0.000 1.252 448 P CA -0.695 62.455 63.100 0.084 0.000 0.802 448 P CB 1.101 32.867 31.700 0.110 0.000 1.035 449 R N 0.401 121.020 120.500 0.198 0.000 2.606 449 R HA 0.517 4.857 4.340 -0.001 0.000 0.249 449 R C 0.100 176.605 176.300 0.342 0.000 1.127 449 R CA -0.810 55.442 56.100 0.252 0.000 1.133 449 R CB 0.146 30.551 30.300 0.175 0.000 1.243 449 R HN 0.277 nan 8.270 nan 0.000 0.558 450 R N -1.461 119.282 120.500 0.404 0.000 3.416 450 R HA -0.213 4.126 4.340 -0.001 0.000 0.263 450 R C -1.168 175.454 176.300 0.536 0.000 1.053 450 R CA 0.846 57.226 56.100 0.466 0.000 0.705 450 R CB -2.092 28.442 30.300 0.390 0.000 1.124 450 R HN 0.688 nan 8.270 nan 0.000 0.444 451 A N 0.329 123.412 122.820 0.438 0.000 2.374 451 A HA 0.374 4.693 4.320 -0.001 0.000 0.305 451 A C -0.810 176.631 177.584 -0.237 0.000 1.053 451 A CA -0.578 51.596 52.037 0.228 0.000 0.726 451 A CB 0.995 20.090 19.000 0.159 0.000 1.229 451 A HN 0.401 nan 8.150 nan 0.000 0.431 452 Y N 4.983 124.939 120.300 -0.573 0.000 2.851 452 Y HA 0.176 4.726 4.550 -0.001 0.000 0.369 452 Y C 1.273 176.858 175.900 -0.525 0.000 1.226 452 Y CA -0.258 57.208 58.100 -1.057 0.000 1.949 452 Y CB -0.220 37.733 38.460 -0.844 0.000 2.059 452 Y HN 0.758 nan 8.280 nan 0.000 0.420 453 I N -0.617 119.732 120.570 -0.370 0.000 2.567 453 I HA -0.175 3.995 4.170 -0.001 0.000 0.257 453 I C 2.000 177.967 176.117 -0.251 0.000 1.184 453 I CA 1.451 62.605 61.300 -0.242 0.000 1.451 453 I CB -0.287 37.563 38.000 -0.250 0.000 1.089 453 I HN 0.388 nan 8.210 nan 0.000 0.441 454 A N 0.763 123.397 122.820 -0.310 0.000 2.121 454 A HA -0.204 4.115 4.320 -0.001 0.000 0.218 454 A C 2.369 179.737 177.584 -0.360 0.000 1.154 454 A CA 1.543 53.437 52.037 -0.238 0.000 0.679 454 A CB -0.647 18.302 19.000 -0.084 0.000 0.795 454 A HN 0.691 nan 8.150 nan 0.000 0.458 455 Q N -0.194 119.226 119.800 -0.635 0.000 2.432 455 Q HA 0.042 4.381 4.340 -0.001 0.000 0.205 455 Q C 0.177 175.996 176.000 -0.302 0.000 0.945 455 Q CA 1.112 56.555 55.803 -0.600 0.000 0.924 455 Q CB 0.142 28.326 28.738 -0.923 0.000 1.016 455 Q HN 0.589 nan 8.270 nan 0.000 0.503 456 V N -3.276 116.503 119.914 -0.225 0.000 2.468 456 V HA 0.361 4.480 4.120 -0.001 0.000 0.256 456 V C -2.375 173.650 176.094 -0.115 0.000 0.998 456 V CA -1.536 60.679 62.300 -0.142 0.000 1.114 456 V CB 0.617 32.376 31.823 -0.108 0.000 1.378 456 V HN -0.061 nan 8.190 nan 0.000 0.573 457 P HA -0.228 nan 4.420 nan 0.000 0.222 457 P C 0.862 178.119 177.300 -0.072 0.000 1.159 457 P CA 2.185 65.236 63.100 -0.083 0.000 0.920 457 P CB 0.088 31.740 31.700 -0.080 0.000 0.793 458 D N -1.721 118.623 120.400 -0.092 0.000 2.324 458 D HA 0.107 4.746 4.640 -0.001 0.000 0.235 458 D C 1.484 177.683 176.300 -0.167 0.000 1.095 458 D CA 0.434 54.374 54.000 -0.100 0.000 0.871 458 D CB -0.119 40.629 40.800 -0.086 0.000 0.906 458 D HN 0.194 nan 8.370 nan 0.000 0.522 459 A N -0.053 122.611 122.820 -0.259 0.000 2.067 459 A HA -0.061 4.258 4.320 -0.001 0.000 0.217 459 A C 0.333 177.361 177.584 -0.927 0.000 1.156 459 A CA 0.550 52.225 52.037 -0.604 0.000 0.683 459 A CB -0.101 18.449 19.000 -0.750 0.000 0.808 459 A HN 0.207 nan 8.150 nan 0.000 0.455 460 Y N -0.673 119.612 120.300 -0.024 0.000 2.490 460 Y HA 0.269 4.818 4.550 -0.001 0.000 0.346 460 Y C -1.743 174.163 175.900 0.011 0.000 1.023 460 Y CA -1.878 56.223 58.100 0.001 0.000 1.142 460 Y CB 0.709 39.164 38.460 -0.007 0.000 1.126 460 Y HN 0.174 nan 8.280 nan 0.000 0.647 461 P HA -0.187 nan 4.420 nan 0.000 0.217 461 P C 0.768 178.102 177.300 0.057 0.000 1.150 461 P CA 1.704 64.841 63.100 0.062 0.000 0.832 461 P CB 0.449 32.177 31.700 0.047 0.000 0.787 462 H N 0.350 119.423 119.070 0.004 0.000 2.545 462 H HA 0.154 4.709 4.556 -0.001 0.000 0.282 462 H C 1.602 176.897 175.328 -0.055 0.000 1.020 462 H CA 1.048 57.092 56.048 -0.006 0.000 1.243 462 H CB -0.654 29.129 29.762 0.036 0.000 1.377 462 H HN 0.178 nan 8.280 nan 0.000 0.581 463 A N 0.132 122.981 122.820 0.048 0.000 2.462 463 A HA 0.491 4.811 4.320 -0.001 0.000 0.261 463 A C 2.170 179.627 177.584 -0.213 0.000 1.323 463 A CA 0.523 52.500 52.037 -0.100 0.000 0.913 463 A CB -0.617 18.373 19.000 -0.017 0.000 1.028 463 A HN 0.403 nan 8.150 nan 0.000 0.511 464 A N 0.330 123.029 122.820 -0.202 0.000 1.859 464 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 464 A C 2.297 179.671 177.584 -0.350 0.000 1.209 464 A CA 2.669 54.569 52.037 -0.228 0.000 0.639 464 A CB -1.294 17.591 19.000 -0.192 0.000 0.835 464 A HN 1.240 nan 8.150 nan 0.000 0.450 465 V N -2.483 117.134 119.914 -0.494 0.000 2.358 465 V HA -0.096 4.024 4.120 -0.001 0.000 0.246 465 V C -0.001 175.520 176.094 -0.956 0.000 1.047 465 V CA 1.591 63.480 62.300 -0.685 0.000 1.035 465 V CB -2.373 29.046 31.823 -0.673 0.000 0.658 465 V HN 0.476 nan 8.190 nan 0.000 0.452 466 P HA -0.147 nan 4.420 nan 0.000 0.220 466 P C 1.956 179.064 177.300 -0.320 0.000 1.148 466 P CA 1.738 64.433 63.100 -0.676 0.000 0.803 466 P CB -0.114 31.218 31.700 -0.613 0.000 0.782 467 M N -0.791 118.632 119.600 -0.296 0.000 2.213 467 M HA -0.101 4.378 4.480 -0.001 0.000 0.263 467 M C 2.115 178.331 176.300 -0.141 0.000 1.062 467 M CA 1.384 56.597 55.300 -0.144 0.000 1.105 467 M CB -0.780 31.744 32.600 -0.126 0.000 1.385 467 M HN -0.211 nan 8.290 nan 0.000 0.417 468 V N -0.112 119.642 119.914 -0.267 0.000 2.343 468 V HA -0.248 3.871 4.120 -0.001 0.000 0.247 468 V C 2.117 178.183 176.094 -0.047 0.000 1.051 468 V CA 1.743 63.918 62.300 -0.208 0.000 1.036 468 V CB -0.887 30.738 31.823 -0.329 0.000 0.654 468 V HN 0.273 nan 8.190 nan 0.000 0.451 469 F N 1.170 121.094 119.950 -0.043 0.000 2.171 469 F HA -0.097 4.429 4.527 -0.001 0.000 0.300 469 F C 2.343 178.123 175.800 -0.034 0.000 1.090 469 F CA 0.868 58.857 58.000 -0.019 0.000 1.293 469 F CB -1.246 37.770 39.000 0.028 0.000 1.013 469 F HN 0.252 nan 8.300 nan 0.000 0.486 470 N N 0.229 119.015 118.700 0.143 0.000 2.244 470 N HA -0.102 4.638 4.740 -0.001 0.000 0.183 470 N C 2.122 177.647 175.510 0.025 0.000 1.016 470 N CA 1.093 54.183 53.050 0.068 0.000 0.866 470 N CB -0.545 37.992 38.487 0.083 0.000 0.980 470 N HN 0.156 nan 8.380 nan 0.000 0.430 471 V N 1.825 121.749 119.914 0.016 0.000 2.453 471 V HA -0.092 4.028 4.120 -0.001 0.000 0.247 471 V C 2.411 178.492 176.094 -0.022 0.000 1.048 471 V CA 0.869 63.160 62.300 -0.016 0.000 1.049 471 V CB -0.364 31.443 31.823 -0.027 0.000 0.672 471 V HN 0.278 nan 8.190 nan 0.000 0.457 472 L N 0.073 121.306 121.223 0.016 0.000 2.027 472 L HA -0.143 4.196 4.340 -0.001 0.000 0.206 472 L C 2.661 179.513 176.870 -0.031 0.000 1.074 472 L CA 1.985 56.831 54.840 0.010 0.000 0.745 472 L CB -0.667 41.433 42.059 0.069 0.000 0.898 472 L HN 0.378 nan 8.230 nan 0.000 0.433 473 A N 0.031 122.829 122.820 -0.035 0.000 1.865 473 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 473 A C 2.300 179.808 177.584 -0.127 0.000 1.191 473 A CA 1.849 53.829 52.037 -0.095 0.000 0.623 473 A CB -1.456 17.480 19.000 -0.107 0.000 0.826 473 A HN 0.517 nan 8.150 nan 0.000 0.444 474 G N -0.139 108.593 108.800 -0.113 0.000 2.469 474 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.220 474 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.220 474 G C 1.499 176.305 174.900 -0.157 0.000 1.136 474 G CA 1.288 46.301 45.100 -0.144 0.000 0.759 474 G HN 0.530 nan 8.290 nan 0.000 0.562 475 I N 0.032 120.529 120.570 -0.122 0.000 2.235 475 I HA -0.095 4.075 4.170 -0.001 0.000 0.241 475 I C 2.756 178.822 176.117 -0.086 0.000 1.085 475 I CA 0.311 61.545 61.300 -0.110 0.000 1.378 475 I CB -0.490 37.461 38.000 -0.081 0.000 1.076 475 I HN 0.011 nan 8.210 nan 0.000 0.415 476 V N 1.516 121.385 119.914 -0.075 0.000 2.231 476 V HA -0.308 3.812 4.120 -0.001 0.000 0.248 476 V C 2.469 178.523 176.094 -0.066 0.000 1.054 476 V CA 1.982 64.250 62.300 -0.054 0.000 1.015 476 V CB -0.675 31.114 31.823 -0.057 0.000 0.638 476 V HN 0.370 nan 8.190 nan 0.000 0.444 477 L N -0.800 120.338 121.223 -0.143 0.000 2.131 477 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 477 L C 2.414 179.213 176.870 -0.118 0.000 1.092 477 L CA 1.276 55.982 54.840 -0.224 0.000 0.759 477 L CB -0.456 41.366 42.059 -0.395 0.000 0.903 477 L HN 0.358 nan 8.230 nan 0.000 0.435 478 L N -0.602 120.561 121.223 -0.100 0.000 2.046 478 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 478 L C 2.482 179.358 176.870 0.009 0.000 1.077 478 L CA 1.146 55.950 54.840 -0.060 0.000 0.747 478 L CB -0.011 41.975 42.059 -0.121 0.000 0.896 478 L HN 0.018 nan 8.230 nan 0.000 0.432 479 V N 0.213 120.131 119.914 0.007 0.000 2.295 479 V HA -0.280 3.839 4.120 -0.001 0.000 0.246 479 V C 2.823 178.987 176.094 0.116 0.000 1.049 479 V CA 1.690 64.016 62.300 0.043 0.000 1.024 479 V CB -1.090 30.750 31.823 0.028 0.000 0.648 479 V HN 0.585 nan 8.190 nan 0.000 0.447 480 A N 0.041 122.950 122.820 0.150 0.000 1.883 480 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 480 A C 2.183 180.001 177.584 0.390 0.000 1.186 480 A CA 2.189 54.397 52.037 0.284 0.000 0.624 480 A CB -0.661 18.546 19.000 0.344 0.000 0.822 480 A HN 0.447 nan 8.150 nan 0.000 0.444 481 L N -0.054 121.392 121.223 0.371 0.000 2.012 481 L HA -0.141 4.198 4.340 -0.001 0.000 0.210 481 L C 2.294 179.365 176.870 0.336 0.000 1.073 481 L CA 1.807 56.909 54.840 0.436 0.000 0.748 481 L CB -0.693 41.554 42.059 0.314 0.000 0.891 481 L HN 0.418 nan 8.230 nan 0.000 0.431 482 L N -1.309 120.041 121.223 0.213 0.000 2.042 482 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 482 L C 2.557 179.543 176.870 0.192 0.000 1.076 482 L CA 1.305 56.239 54.840 0.156 0.000 0.749 482 L CB -0.545 41.564 42.059 0.084 0.000 0.893 482 L HN 0.324 nan 8.230 nan 0.000 0.432 483 L N -1.552 119.801 121.223 0.217 0.000 2.156 483 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 483 L C 2.505 179.548 176.870 0.288 0.000 1.095 483 L CA 0.904 55.885 54.840 0.235 0.000 0.770 483 L CB -0.405 41.779 42.059 0.208 0.000 0.914 483 L HN 0.186 nan 8.230 nan 0.000 0.439 484 F N 0.938 120.992 119.950 0.173 0.000 2.102 484 F HA -0.214 4.313 4.527 -0.001 0.000 0.298 484 F C 2.211 178.087 175.800 0.127 0.000 1.105 484 F CA 1.437 59.510 58.000 0.122 0.000 1.239 484 F CB -0.166 38.881 39.000 0.078 0.000 0.991 484 F HN -0.104 nan 8.300 nan 0.000 0.474 485 I N -0.916 119.704 120.570 0.083 0.000 2.142 485 I HA -0.341 3.829 4.170 -0.001 0.000 0.240 485 I C 2.321 178.417 176.117 -0.035 0.000 1.078 485 I CA 1.860 63.148 61.300 -0.021 0.000 1.343 485 I CB -0.931 37.074 38.000 0.008 0.000 1.046 485 I HN 0.199 nan 8.210 nan 0.000 0.405 486 Y N 1.891 122.157 120.300 -0.057 0.000 2.081 486 Y HA -0.284 4.266 4.550 -0.001 0.000 0.280 486 Y C 2.434 178.321 175.900 -0.023 0.000 1.163 486 Y CA 1.933 60.011 58.100 -0.037 0.000 1.135 486 Y CB -0.884 37.572 38.460 -0.006 0.000 0.970 486 Y HN 0.107 nan 8.280 nan 0.000 0.498 487 G N -0.280 108.520 108.800 0.001 0.000 2.408 487 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 487 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 487 G C 1.580 176.333 174.900 -0.244 0.000 1.150 487 G CA 0.868 45.914 45.100 -0.091 0.000 0.776 487 G HN 0.454 nan 8.290 nan 0.000 0.542 488 L N -0.365 120.626 121.223 -0.388 0.000 2.017 488 L HA 0.118 4.458 4.340 -0.001 0.000 0.208 488 L C 2.433 179.111 176.870 -0.320 0.000 1.073 488 L CA 1.659 56.193 54.840 -0.510 0.000 0.745 488 L CB -0.582 40.986 42.059 -0.819 0.000 0.894 488 L HN 0.168 nan 8.230 nan 0.000 0.432 489 F N -0.268 119.461 119.950 -0.369 0.000 2.325 489 F HA -0.096 4.430 4.527 -0.001 0.000 0.299 489 F C 2.810 178.436 175.800 -0.290 0.000 1.090 489 F CA 1.125 58.955 58.000 -0.284 0.000 1.392 489 F CB -1.051 37.811 39.000 -0.231 0.000 1.053 489 F HN 0.324 nan 8.300 nan 0.000 0.521 490 S N -0.879 114.699 115.700 -0.203 0.000 2.474 490 S HA -0.085 4.384 4.470 -0.001 0.000 0.235 490 S C 1.830 176.321 174.600 -0.181 0.000 0.997 490 S CA 1.225 59.279 58.200 -0.245 0.000 0.949 490 S CB -0.842 62.144 63.200 -0.357 0.000 0.766 490 S HN 0.138 nan 8.310 nan 0.000 0.517 491 V N 1.011 120.798 119.914 -0.210 0.000 2.685 491 V HA 0.230 4.349 4.120 -0.001 0.000 0.244 491 V C 2.196 178.161 176.094 -0.215 0.000 1.054 491 V CA 0.890 63.065 62.300 -0.209 0.000 1.076 491 V CB -0.480 31.180 31.823 -0.271 0.000 0.725 491 V HN 0.436 nan 8.190 nan 0.000 0.467 492 L N -0.487 120.572 121.223 -0.273 0.000 2.554 492 L HA 0.094 4.434 4.340 -0.001 0.000 0.226 492 L C 1.393 178.138 176.870 -0.209 0.000 1.137 492 L CA 0.484 55.157 54.840 -0.278 0.000 0.863 492 L CB 0.082 41.886 42.059 -0.426 0.000 0.985 492 L HN 0.308 nan 8.230 nan 0.000 0.451 493 L N -1.392 119.734 121.223 -0.161 0.000 2.857 493 L HA 0.165 4.505 4.340 -0.001 0.000 0.249 493 L C 1.053 177.879 176.870 -0.073 0.000 1.172 493 L CA 0.162 54.945 54.840 -0.096 0.000 0.980 493 L CB 0.050 42.081 42.059 -0.046 0.000 1.299 493 L HN 0.079 nan 8.230 nan 0.000 0.535 494 S N -1.615 114.034 115.700 -0.084 0.000 2.687 494 S HA 0.526 4.995 4.470 -0.001 0.000 0.283 494 S C 0.919 175.488 174.600 -0.053 0.000 1.170 494 S CA -0.669 57.494 58.200 -0.062 0.000 1.008 494 S CB 1.973 65.134 63.200 -0.064 0.000 1.026 494 S HN 0.009 nan 8.310 nan 0.000 0.541 495 R N 0.252 120.729 120.500 -0.038 0.000 2.437 495 R HA 0.311 4.651 4.340 -0.001 0.000 0.257 495 R C -0.292 175.990 176.300 -0.030 0.000 0.927 495 R CA -0.189 55.891 56.100 -0.033 0.000 1.078 495 R CB -0.328 29.957 30.300 -0.024 0.000 1.161 495 R HN 0.737 nan 8.270 nan 0.000 0.529 496 E N 1.632 121.814 120.200 -0.030 0.000 2.415 496 E HA -0.038 4.311 4.350 -0.001 0.000 0.263 496 E C -0.176 176.406 176.600 -0.031 0.000 0.995 496 E CA 0.439 56.824 56.400 -0.025 0.000 0.915 496 E CB 0.763 30.450 29.700 -0.022 0.000 0.951 496 E HN -0.066 nan 8.360 nan 0.000 0.449 497 R N 2.779 123.262 120.500 -0.028 0.000 2.631 497 R HA 0.140 4.480 4.340 -0.001 0.000 0.289 497 R C -1.138 175.145 176.300 -0.029 0.000 1.303 497 R CA -0.429 55.650 56.100 -0.034 0.000 0.989 497 R CB 0.603 30.877 30.300 -0.043 0.000 1.208 497 R HN 0.214 nan 8.270 nan 0.000 0.461 498 K N 5.897 126.282 120.400 -0.025 0.000 2.206 498 K HA 0.209 4.528 4.320 -0.001 0.000 0.268 498 K C -1.667 174.919 176.600 -0.022 0.000 1.111 498 K CA -2.062 54.215 56.287 -0.017 0.000 0.955 498 K CB 1.369 33.865 32.500 -0.008 0.000 1.406 498 K HN 0.423 nan 8.250 nan 0.000 0.427 499 P HA -0.245 nan 4.420 nan 0.000 0.221 499 P C 0.738 178.030 177.300 -0.013 0.000 1.145 499 P CA 1.219 64.297 63.100 -0.036 0.000 0.795 499 P CB 0.363 32.040 31.700 -0.038 0.000 0.775 500 E N 1.425 121.623 120.200 -0.003 0.000 2.150 500 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 500 E C 1.903 178.508 176.600 0.009 0.000 0.985 500 E CA 1.177 57.582 56.400 0.009 0.000 0.814 500 E CB -1.261 28.445 29.700 0.010 0.000 0.752 500 E HN 0.301 nan 8.360 nan 0.000 0.466 501 L N -1.509 119.717 121.223 0.004 0.000 2.492 501 L HA 0.397 4.736 4.340 -0.001 0.000 0.223 501 L C 2.234 179.109 176.870 0.007 0.000 1.132 501 L CA 1.256 56.102 54.840 0.009 0.000 0.850 501 L CB -0.352 41.715 42.059 0.013 0.000 0.966 501 L HN 0.046 nan 8.230 nan 0.000 0.454 502 A N -0.239 122.578 122.820 -0.004 0.000 2.169 502 A HA 0.095 4.414 4.320 -0.001 0.000 0.212 502 A C 1.971 179.550 177.584 -0.008 0.000 1.153 502 A CA 0.668 52.703 52.037 -0.005 0.000 0.756 502 A CB -0.316 18.661 19.000 -0.037 0.000 0.813 502 A HN 0.574 nan 8.150 nan 0.000 0.471 503 E N -0.213 119.984 120.200 -0.004 0.000 2.481 503 E HA 0.320 4.670 4.350 -0.001 0.000 0.198 503 E C 0.652 177.232 176.600 -0.033 0.000 1.027 503 E CA 0.017 56.409 56.400 -0.013 0.000 0.900 503 E CB 0.374 30.109 29.700 0.058 0.000 0.993 503 E HN 0.557 nan 8.360 nan 0.000 0.482 504 A N 2.760 125.570 122.820 -0.017 0.000 2.406 504 A HA 0.290 4.609 4.320 -0.001 0.000 0.243 504 A C -2.237 175.325 177.584 -0.036 0.000 1.082 504 A CA -0.943 51.087 52.037 -0.012 0.000 0.786 504 A CB -0.091 18.912 19.000 0.005 0.000 1.029 504 A HN -0.108 nan 8.150 nan 0.000 0.495 505 P HA 0.361 nan 4.420 nan 0.000 0.276 505 P C -0.593 176.652 177.300 -0.091 0.000 1.252 505 P CA -0.512 62.559 63.100 -0.049 0.000 0.802 505 P CB 0.405 32.101 31.700 -0.007 0.000 1.035 506 L N 2.815 123.928 121.223 -0.183 0.000 2.456 506 L HA 0.155 4.495 4.340 -0.001 0.000 0.272 506 L C -1.356 175.211 176.870 -0.505 0.000 1.189 506 L CA -1.404 53.188 54.840 -0.413 0.000 0.846 506 L CB 0.020 41.569 42.059 -0.850 0.000 1.111 506 L HN 0.298 nan 8.230 nan 0.000 0.475 507 P HA 0.016 nan 4.420 nan 0.000 0.232 507 P C -0.374 176.680 177.300 -0.410 0.000 1.738 507 P CA 0.070 62.929 63.100 -0.401 0.000 0.948 507 P CB -0.537 30.924 31.700 -0.398 0.000 1.943 508 F N 1.244 121.076 119.950 -0.195 0.000 2.506 508 F HA 0.265 4.791 4.527 -0.001 0.000 0.351 508 F C 1.530 177.258 175.800 -0.120 0.000 1.136 508 F CA -0.688 57.211 58.000 -0.168 0.000 1.298 508 F CB 0.633 39.555 39.000 -0.130 0.000 1.145 508 F HN 0.151 nan 8.300 nan 0.000 0.593 509 A N 2.839 125.732 122.820 0.122 0.000 2.279 509 A HA 0.368 4.688 4.320 -0.001 0.000 0.303 509 A C -0.276 177.332 177.584 0.040 0.000 1.108 509 A CA -0.699 51.370 52.037 0.053 0.000 0.830 509 A CB 0.407 19.430 19.000 0.039 0.000 1.106 509 A HN 0.797 nan 8.150 nan 0.000 0.493 510 E N -0.302 119.914 120.200 0.028 0.000 2.373 510 E HA 0.429 4.779 4.350 -0.001 0.000 0.263 510 E C -1.043 175.550 176.600 -0.013 0.000 1.073 510 E CA -0.271 56.134 56.400 0.009 0.000 0.894 510 E CB 1.255 30.967 29.700 0.020 0.000 1.008 510 E HN 0.331 nan 8.360 nan 0.000 0.420 511 V N 3.662 123.554 119.914 -0.037 0.000 2.487 511 V HA 0.285 4.404 4.120 -0.001 0.000 0.298 511 V C -0.038 176.012 176.094 -0.072 0.000 1.028 511 V CA -0.631 61.632 62.300 -0.062 0.000 0.860 511 V CB 1.357 33.133 31.823 -0.078 0.000 0.991 511 V HN 0.533 nan 8.190 nan 0.000 0.427 512 I N 3.353 123.860 120.570 -0.105 0.000 2.496 512 I HA 0.323 4.493 4.170 -0.001 0.000 0.285 512 I C 0.607 176.668 176.117 -0.094 0.000 1.080 512 I CA 0.716 61.949 61.300 -0.112 0.000 1.404 512 I CB 1.273 39.159 38.000 -0.191 0.000 1.403 512 I HN 0.594 nan 8.210 nan 0.000 0.539 513 S N 2.985 118.642 115.700 -0.071 0.000 2.634 513 S HA 0.857 5.326 4.470 -0.001 0.000 0.296 513 S C -0.168 174.400 174.600 -0.052 0.000 1.104 513 S CA -0.483 57.679 58.200 -0.064 0.000 0.920 513 S CB 1.932 65.099 63.200 -0.056 0.000 1.111 513 S HN 0.787 nan 8.310 nan 0.000 0.493 514 G N 0.967 109.738 108.800 -0.048 0.000 3.042 514 G HA2 0.587 4.547 3.960 -0.001 0.000 0.278 514 G HA3 0.587 4.547 3.960 -0.001 0.000 0.278 514 G C -2.156 172.725 174.900 -0.032 0.000 1.371 514 G CA -1.078 43.999 45.100 -0.038 0.000 1.009 514 G HN 0.492 nan 8.290 nan 0.000 0.523 515 P HA -0.012 nan 4.420 nan 0.000 0.217 515 P C 0.946 178.232 177.300 -0.023 0.000 1.154 515 P CA 1.079 64.165 63.100 -0.022 0.000 0.841 515 P CB 0.457 32.147 31.700 -0.018 0.000 0.788 516 E N -0.079 120.106 120.200 -0.025 0.000 2.347 516 E HA -0.120 4.229 4.350 -0.001 0.000 0.196 516 E C 1.408 177.990 176.600 -0.030 0.000 1.008 516 E CA 0.475 56.860 56.400 -0.025 0.000 0.852 516 E CB -0.346 29.339 29.700 -0.026 0.000 0.783 516 E HN 0.279 nan 8.360 nan 0.000 0.505 517 D N 1.249 121.627 120.400 -0.037 0.000 2.242 517 D HA -0.244 4.395 4.640 -0.001 0.000 0.193 517 D C 1.676 177.952 176.300 -0.040 0.000 1.005 517 D CA 1.356 55.328 54.000 -0.046 0.000 0.856 517 D CB -0.440 40.328 40.800 -0.054 0.000 1.001 517 D HN -0.035 nan 8.370 nan 0.000 0.452 518 R N 0.799 121.279 120.500 -0.033 0.000 2.305 518 R HA -0.286 4.054 4.340 -0.001 0.000 0.226 518 R C 2.134 178.424 176.300 -0.017 0.000 1.105 518 R CA 2.371 58.457 56.100 -0.023 0.000 0.832 518 R CB -0.660 29.630 30.300 -0.016 0.000 0.982 518 R HN 0.238 nan 8.270 nan 0.000 0.391 519 R N -0.582 119.911 120.500 -0.012 0.000 2.120 519 R HA -0.105 4.234 4.340 -0.001 0.000 0.234 519 R C 2.305 178.607 176.300 0.004 0.000 1.123 519 R CA 1.353 57.451 56.100 -0.003 0.000 0.975 519 R CB -0.457 29.841 30.300 -0.005 0.000 0.866 519 R HN 0.267 nan 8.270 nan 0.000 0.446 520 L N 0.299 121.518 121.223 -0.007 0.000 2.068 520 L HA -0.062 4.277 4.340 -0.001 0.000 0.204 520 L C 2.038 178.900 176.870 -0.012 0.000 1.076 520 L CA 1.351 56.189 54.840 -0.004 0.000 0.753 520 L CB -0.172 41.872 42.059 -0.025 0.000 0.910 520 L HN -0.140 nan 8.230 nan 0.000 0.439 521 V N -0.446 119.440 119.914 -0.046 0.000 2.469 521 V HA -0.267 3.853 4.120 -0.001 0.000 0.251 521 V C 2.496 178.565 176.094 -0.041 0.000 1.064 521 V CA 1.486 63.733 62.300 -0.089 0.000 1.066 521 V CB -0.616 31.145 31.823 -0.104 0.000 0.667 521 V HN 0.359 nan 8.190 nan 0.000 0.461 522 L N 0.316 121.541 121.223 0.004 0.000 2.056 522 L HA -0.014 4.325 4.340 -0.001 0.000 0.207 522 L C 2.523 179.449 176.870 0.092 0.000 1.078 522 L CA 2.133 56.998 54.840 0.041 0.000 0.749 522 L CB -1.058 41.017 42.059 0.027 0.000 0.901 522 L HN 0.266 nan 8.230 nan 0.000 0.433 523 A N -1.091 121.793 122.820 0.106 0.000 1.898 523 A HA -0.220 4.099 4.320 -0.001 0.000 0.216 523 A C 2.242 180.078 177.584 0.421 0.000 1.181 523 A CA 1.882 54.036 52.037 0.195 0.000 0.620 523 A CB -0.480 18.633 19.000 0.187 0.000 0.819 523 A HN 0.430 nan 8.150 nan 0.000 0.442 524 M N -0.804 118.978 119.600 0.304 0.000 2.374 524 M HA -0.108 4.372 4.480 -0.001 0.000 0.264 524 M C 1.134 177.690 176.300 0.427 0.000 1.067 524 M CA 1.243 56.734 55.300 0.319 0.000 1.103 524 M CB -0.396 32.199 32.600 -0.010 0.000 1.402 524 M HN 0.240 nan 8.290 nan 0.000 0.444 525 D N 0.604 121.178 120.400 0.290 0.000 2.363 525 D HA -0.008 4.631 4.640 -0.001 0.000 0.226 525 D C 0.679 177.231 176.300 0.419 0.000 1.020 525 D CA 0.412 54.621 54.000 0.349 0.000 0.892 525 D CB 0.143 41.072 40.800 0.216 0.000 0.900 525 D HN 0.095 nan 8.370 nan 0.000 0.531 526 R N 0.755 121.516 120.500 0.435 0.000 4.792 526 R HA 0.154 4.494 4.340 -0.001 0.000 0.205 526 R C 1.374 177.928 176.300 0.424 0.000 1.875 526 R CA -0.170 56.118 56.100 0.315 0.000 1.588 526 R CB -0.257 30.091 30.300 0.080 0.000 1.401 526 R HN 0.339 nan 8.270 nan 0.000 0.834 527 I N -0.164 120.688 120.570 0.470 0.000 2.143 527 I HA -0.332 3.837 4.170 -0.001 0.000 0.245 527 I C 2.405 178.724 176.117 0.337 0.000 1.068 527 I CA 1.834 63.363 61.300 0.381 0.000 1.326 527 I CB -0.457 37.614 38.000 0.118 0.000 1.028 527 I HN 0.473 nan 8.210 nan 0.000 0.412 528 G N 0.514 109.505 108.800 0.318 0.000 2.440 528 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.218 528 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.218 528 G C 1.560 176.612 174.900 0.253 0.000 1.154 528 G CA 0.821 46.096 45.100 0.291 0.000 0.767 528 G HN 0.385 nan 8.290 nan 0.000 0.552 529 F N 0.404 120.372 119.950 0.030 0.000 2.075 529 F HA -0.051 4.476 4.527 -0.001 0.000 0.297 529 F C 2.446 178.190 175.800 -0.092 0.000 1.113 529 F CA 1.543 59.457 58.000 -0.143 0.000 1.218 529 F CB -0.472 38.287 39.000 -0.401 0.000 0.984 529 F HN 0.233 nan 8.300 nan 0.000 0.472 530 W N -0.567 120.770 121.300 0.062 0.000 2.374 530 W HA -0.180 4.480 4.660 -0.001 0.000 0.288 530 W C 2.531 179.057 176.519 0.010 0.000 1.218 530 W CA 1.057 58.374 57.345 -0.045 0.000 1.245 530 W CB -0.805 28.751 29.460 0.159 0.000 1.126 530 W HN 0.155 nan 8.180 nan 0.000 0.545 531 F N 1.020 121.045 119.950 0.126 0.000 2.102 531 F HA -0.220 4.306 4.527 -0.001 0.000 0.298 531 F C 2.417 178.214 175.800 -0.005 0.000 1.105 531 F CA 1.605 59.642 58.000 0.062 0.000 1.239 531 F CB -0.376 38.652 39.000 0.047 0.000 0.991 531 F HN -0.134 nan 8.300 nan 0.000 0.474 532 A N -0.093 122.654 122.820 -0.121 0.000 1.933 532 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 532 A C 2.171 179.600 177.584 -0.257 0.000 1.175 532 A CA 1.838 53.716 52.037 -0.265 0.000 0.628 532 A CB -1.298 17.592 19.000 -0.184 0.000 0.814 532 A HN 0.301 nan 8.150 nan 0.000 0.444 533 V N -0.164 119.576 119.914 -0.290 0.000 2.295 533 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 533 V C 3.062 179.102 176.094 -0.090 0.000 1.049 533 V CA 1.972 64.137 62.300 -0.225 0.000 1.024 533 V CB -1.256 30.427 31.823 -0.234 0.000 0.648 533 V HN 0.622 nan 8.190 nan 0.000 0.447 534 A N -0.037 122.765 122.820 -0.029 0.000 1.902 534 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 534 A C 2.414 179.945 177.584 -0.087 0.000 1.181 534 A CA 2.140 54.174 52.037 -0.005 0.000 0.623 534 A CB -0.763 18.294 19.000 0.095 0.000 0.818 534 A HN 0.581 nan 8.150 nan 0.000 0.443 535 A N -0.205 122.506 122.820 -0.183 0.000 1.930 535 A HA -0.049 4.271 4.320 -0.001 0.000 0.217 535 A C 2.099 179.595 177.584 -0.147 0.000 1.175 535 A CA 1.456 53.367 52.037 -0.210 0.000 0.627 535 A CB -0.561 18.230 19.000 -0.349 0.000 0.815 535 A HN 0.498 nan 8.150 nan 0.000 0.443 536 I N -0.263 120.228 120.570 -0.131 0.000 2.315 536 I HA -0.240 3.929 4.170 -0.001 0.000 0.248 536 I C 2.271 178.345 176.117 -0.072 0.000 1.117 536 I CA 0.932 62.178 61.300 -0.089 0.000 1.404 536 I CB -0.268 37.684 38.000 -0.079 0.000 1.071 536 I HN 0.298 nan 8.210 nan 0.000 0.419 537 L N -0.217 120.961 121.223 -0.075 0.000 2.083 537 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 537 L C 2.575 179.375 176.870 -0.115 0.000 1.083 537 L CA 0.966 55.763 54.840 -0.072 0.000 0.752 537 L CB -0.633 41.389 42.059 -0.063 0.000 0.899 537 L HN 0.093 nan 8.230 nan 0.000 0.433 538 V N -0.693 119.129 119.914 -0.154 0.000 2.407 538 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 538 V C 2.406 178.384 176.094 -0.193 0.000 1.055 538 V CA 1.378 63.533 62.300 -0.242 0.000 1.049 538 V CB -0.159 31.442 31.823 -0.370 0.000 0.662 538 V HN 0.205 nan 8.190 nan 0.000 0.455 539 V N -0.308 119.531 119.914 -0.124 0.000 2.427 539 V HA -0.193 3.926 4.120 -0.001 0.000 0.248 539 V C 2.177 178.251 176.094 -0.034 0.000 1.051 539 V CA 1.690 63.954 62.300 -0.060 0.000 1.048 539 V CB -0.416 31.387 31.823 -0.033 0.000 0.666 539 V HN 0.451 nan 8.190 nan 0.000 0.456 540 L N -0.198 121.009 121.223 -0.026 0.000 2.179 540 L HA 0.028 4.367 4.340 -0.001 0.000 0.208 540 L C 2.506 179.403 176.870 0.045 0.000 1.096 540 L CA 1.234 56.099 54.840 0.042 0.000 0.779 540 L CB -0.558 41.541 42.059 0.066 0.000 0.922 540 L HN 0.336 nan 8.230 nan 0.000 0.443 541 A N -1.717 121.055 122.820 -0.080 0.000 2.081 541 A HA -0.054 4.265 4.320 -0.001 0.000 0.214 541 A C 1.666 178.915 177.584 -0.558 0.000 1.158 541 A CA 0.808 52.730 52.037 -0.192 0.000 0.724 541 A CB -0.144 18.625 19.000 -0.385 0.000 0.826 541 A HN 0.349 nan 8.150 nan 0.000 0.463 542 Y N -1.252 118.851 120.300 -0.328 0.000 2.581 542 Y HA 0.225 4.774 4.550 -0.001 0.000 0.271 542 Y C 2.534 178.330 175.900 -0.173 0.000 1.100 542 Y CA -0.059 57.879 58.100 -0.270 0.000 1.281 542 Y CB -0.501 37.786 38.460 -0.288 0.000 1.237 542 Y HN 0.270 nan 8.280 nan 0.000 0.514 543 G N 1.704 110.502 108.800 -0.003 0.000 2.586 543 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.218 543 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.218 543 G C -0.561 174.327 174.900 -0.019 0.000 1.216 543 G CA 1.366 46.480 45.100 0.022 0.000 0.786 543 G HN 0.248 nan 8.290 nan 0.000 0.583 544 P HA -0.096 nan 4.420 nan 0.000 0.216 544 P C 2.097 179.316 177.300 -0.135 0.000 1.157 544 P CA 2.169 65.214 63.100 -0.093 0.000 0.880 544 P CB -0.247 31.418 31.700 -0.059 0.000 0.791 545 T N -0.732 113.639 114.554 -0.304 0.000 2.770 545 T HA -0.031 4.318 4.350 -0.001 0.000 0.263 545 T C 1.747 176.479 174.700 0.054 0.000 1.039 545 T CA 0.920 62.924 62.100 -0.161 0.000 1.142 545 T CB -0.868 67.899 68.868 -0.169 0.000 0.868 545 T HN 0.041 nan 8.240 nan 0.000 0.435 546 L N 0.997 122.328 121.223 0.179 0.000 2.131 546 L HA -0.084 4.255 4.340 -0.001 0.000 0.210 546 L C 2.584 179.700 176.870 0.411 0.000 1.092 546 L CA 0.772 55.834 54.840 0.369 0.000 0.759 546 L CB -0.657 41.677 42.059 0.459 0.000 0.903 546 L HN 0.165 nan 8.230 nan 0.000 0.435 547 V N -0.574 119.480 119.914 0.232 0.000 2.358 547 V HA -0.285 3.835 4.120 -0.001 0.000 0.246 547 V C 2.428 178.656 176.094 0.223 0.000 1.047 547 V CA 1.635 64.060 62.300 0.208 0.000 1.035 547 V CB -0.481 31.417 31.823 0.125 0.000 0.658 547 V HN 0.500 nan 8.190 nan 0.000 0.452 548 Q N -0.562 119.327 119.800 0.150 0.000 2.119 548 Q HA -0.091 4.248 4.340 -0.001 0.000 0.201 548 Q C 2.336 178.403 176.000 0.111 0.000 0.972 548 Q CA 1.308 57.173 55.803 0.103 0.000 0.847 548 Q CB -0.150 28.587 28.738 -0.001 0.000 0.903 548 Q HN 0.556 nan 8.270 nan 0.000 0.433 549 L N -0.659 120.615 121.223 0.085 0.000 2.056 549 L HA -0.143 4.196 4.340 -0.001 0.000 0.207 549 L C 1.965 178.840 176.870 0.009 0.000 1.078 549 L CA 1.102 55.937 54.840 -0.008 0.000 0.749 549 L CB -0.389 41.607 42.059 -0.105 0.000 0.901 549 L HN 0.179 nan 8.230 nan 0.000 0.433 550 F N -0.042 119.984 119.950 0.127 0.000 2.699 550 F HA -0.037 4.489 4.527 -0.001 0.000 0.298 550 F C 2.203 178.076 175.800 0.122 0.000 1.154 550 F CA 0.859 58.937 58.000 0.129 0.000 1.457 550 F CB -0.324 38.747 39.000 0.119 0.000 1.106 550 F HN 0.019 nan 8.300 nan 0.000 0.585 551 G N -2.263 106.733 108.800 0.326 0.000 2.838 551 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.210 551 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.210 551 G C 0.040 174.970 174.900 0.050 0.000 1.153 551 G CA 0.124 45.364 45.100 0.233 0.000 0.778 551 G HN 0.369 nan 8.290 nan 0.000 0.539 552 H N -0.361 118.731 119.070 0.035 0.000 2.674 552 H HA 0.367 4.922 4.556 -0.001 0.000 0.235 552 H C 0.073 175.376 175.328 -0.041 0.000 1.330 552 H CA -0.836 55.212 56.048 0.000 0.000 1.052 552 H CB 0.004 29.763 29.762 -0.005 0.000 1.954 552 H HN 0.043 nan 8.280 nan 0.000 0.566 553 L N 0.997 122.238 121.223 0.030 0.000 2.490 553 L HA 0.044 4.384 4.340 -0.001 0.000 0.274 553 L C 0.479 177.314 176.870 -0.058 0.000 1.201 553 L CA 0.350 55.155 54.840 -0.059 0.000 0.869 553 L CB 0.367 42.392 42.059 -0.057 0.000 1.123 553 L HN 0.406 nan 8.230 nan 0.000 0.484 554 N N 4.029 122.667 118.700 -0.102 0.000 2.752 554 N HA 0.270 5.009 4.740 -0.001 0.000 0.260 554 N C -2.599 172.837 175.510 -0.123 0.000 1.562 554 N CA -1.429 51.572 53.050 -0.081 0.000 0.788 554 N CB 0.953 39.409 38.487 -0.052 0.000 1.192 554 N HN 0.188 nan 8.380 nan 0.000 0.503 555 P HA 0.089 nan 4.420 nan 0.000 0.268 555 P C -0.375 176.867 177.300 -0.097 0.000 1.205 555 P CA -0.194 62.794 63.100 -0.186 0.000 0.771 555 P CB 1.245 32.834 31.700 -0.185 0.000 0.858 556 V N -0.361 119.500 119.914 -0.089 0.000 3.001 556 V HA 0.686 4.805 4.120 -0.001 0.000 0.314 556 V C -2.841 173.317 176.094 0.107 0.000 1.099 556 V CA -3.229 59.085 62.300 0.023 0.000 0.989 556 V CB 1.357 33.207 31.823 0.045 0.000 1.040 556 V HN 0.272 nan 8.190 nan 0.000 0.434 557 P HA 0.356 nan 4.420 nan 0.000 0.271 557 P C 0.272 177.824 177.300 0.420 0.000 1.218 557 P CA 0.491 63.743 63.100 0.255 0.000 0.780 557 P CB 0.514 32.295 31.700 0.136 0.000 0.901 558 G N 0.755 109.832 108.800 0.463 0.000 2.572 558 G HA2 0.413 4.372 3.960 -0.001 0.000 0.261 558 G HA3 0.413 4.372 3.960 -0.001 0.000 0.261 558 G C -1.584 173.445 174.900 0.216 0.000 1.197 558 G CA -0.326 45.115 45.100 0.569 0.000 0.870 558 G HN 0.394 nan 8.290 nan 0.000 0.548 559 W N -1.357 120.049 121.300 0.176 0.000 3.107 559 W HA 0.627 5.286 4.660 -0.001 0.000 0.331 559 W C -0.005 176.529 176.519 0.025 0.000 1.204 559 W CA -0.906 56.485 57.345 0.076 0.000 1.184 559 W CB 2.049 31.568 29.460 0.098 0.000 1.421 559 W HN 0.531 nan 8.180 nan 0.000 0.544 560 R N 2.566 123.106 120.500 0.068 0.000 2.435 560 R HA 0.570 4.910 4.340 -0.001 0.000 0.308 560 R C -1.165 175.001 176.300 -0.223 0.000 0.975 560 R CA -0.354 55.510 56.100 -0.393 0.000 0.867 560 R CB 0.446 30.306 30.300 -0.733 0.000 1.171 560 R HN 0.746 nan 8.270 nan 0.000 0.470 561 L N 5.308 126.537 121.223 0.011 0.000 3.209 561 L HA 0.455 4.795 4.340 -0.001 0.000 0.279 561 L C -1.078 175.924 176.870 0.219 0.000 1.301 561 L CA -0.572 54.348 54.840 0.133 0.000 1.004 561 L CB -0.101 42.078 42.059 0.199 0.000 1.402 561 L HN 0.631 nan 8.230 nan 0.000 0.577 562 W N 0.000 121.328 121.300 0.047 0.000 2.388 562 W HA 0.000 4.659 4.660 -0.001 0.000 0.303 562 W CA 0.000 57.367 57.345 0.036 0.000 1.226 562 W CB 0.000 29.476 29.460 0.026 0.000 1.126 562 W HN 0.000 nan 8.180 nan 0.000 0.535