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 1n4r_1_L DATA FIRST_RESID 18 DATA SEQUENCE LDFLRDRHVR FFQRCLQVLP ERYSSLETSR LTIAFFALSG LDMLDSLDVV DATA SEQUENCE NKDDIIEWIY SLQVLPTEDR SNLDRCGFRG SSYLGIPFNP SKNPGTAHPY DATA SEQUENCE DSGHIAMTYT GLSCLIILGD DLSRVDKEAC LAGLRALQLE DGSFCAVPEG DATA SEQUENCE SENDMRFVYC ASCICYMLNN WSGMDMKKAI SYIRRSMSYD NGLAQGAGLE DATA SEQUENCE SHGGSTFCGI ASLCLMGKLE EVFSEKELNR IKRWCIMRQQ NGYHGRPNKP DATA SEQUENCE VDTCYSFWVG ATLKLLKIFQ YTNFEKNRNY ILSTQDRLVG GFAKWPDSHP DATA SEQUENCE DALHAYFGIC GLSLMEESGI CKVHPALNVS TRTSERLRDL HQSWKT 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 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.915 176.870 0.075 0.000 1.165 18 L CA 0.000 54.870 54.840 0.049 0.000 0.813 18 L CB 0.000 42.076 42.059 0.028 0.000 0.961 19 D N -0.142 120.304 120.400 0.077 0.000 2.419 19 D HA 0.372 5.013 4.640 0.002 0.000 0.234 19 D C -0.990 175.418 176.300 0.180 0.000 1.014 19 D CA -0.392 53.677 54.000 0.116 0.000 0.919 19 D CB 1.799 42.642 40.800 0.070 0.000 1.366 19 D HN 0.096 nan 8.370 nan 0.000 0.490 20 F N 1.094 121.080 119.950 0.060 0.000 2.438 20 F HA 0.245 4.774 4.527 0.002 0.000 0.360 20 F C -0.215 175.616 175.800 0.052 0.000 1.118 20 F CA -1.153 56.910 58.000 0.106 0.000 1.164 20 F CB 0.339 39.416 39.000 0.129 0.000 1.131 20 F HN 0.155 nan 8.300 nan 0.000 0.527 21 L N 7.786 128.739 121.223 -0.450 0.000 2.650 21 L HA 0.147 4.488 4.340 0.002 0.000 0.239 21 L C 2.002 178.342 176.870 -0.884 0.000 1.412 21 L CA 0.487 54.965 54.840 -0.604 0.000 1.219 21 L CB -1.468 40.228 42.059 -0.605 0.000 1.534 21 L HN 0.680 nan 8.230 nan 0.000 0.430 22 R N 0.234 120.205 120.500 -0.883 0.000 2.133 22 R HA -0.244 4.097 4.340 0.002 0.000 0.245 22 R C 1.319 177.437 176.300 -0.302 0.000 1.137 22 R CA 2.270 58.012 56.100 -0.596 0.000 0.947 22 R CB 0.131 30.333 30.300 -0.163 0.000 0.865 22 R HN 0.438 nan 8.270 nan 0.000 0.437 23 D N -0.454 119.799 120.400 -0.245 0.000 2.123 23 D HA -0.178 4.464 4.640 0.002 0.000 0.196 23 D C 1.964 178.144 176.300 -0.199 0.000 0.992 23 D CA 1.123 55.026 54.000 -0.161 0.000 0.833 23 D CB -0.270 40.454 40.800 -0.126 0.000 0.954 23 D HN 0.315 nan 8.370 nan 0.000 0.455 24 R N -0.216 120.079 120.500 -0.342 0.000 2.115 24 R HA -0.118 4.223 4.340 0.002 0.000 0.230 24 R C 2.025 178.126 176.300 -0.331 0.000 1.111 24 R CA 0.960 56.850 56.100 -0.350 0.000 0.976 24 R CB 0.008 30.032 30.300 -0.460 0.000 0.870 24 R HN 0.298 nan 8.270 nan 0.000 0.445 25 H N -0.646 118.267 119.070 -0.262 0.000 2.462 25 H HA -0.041 4.517 4.556 0.002 0.000 0.292 25 H C 2.112 177.360 175.328 -0.135 0.000 1.049 25 H CA 1.206 57.075 56.048 -0.300 0.000 1.334 25 H CB -0.013 29.559 29.762 -0.316 0.000 1.404 25 H HN 0.052 nan 8.280 nan 0.000 0.544 26 V N 1.275 121.229 119.914 0.067 0.000 2.307 26 V HA -0.195 3.926 4.120 0.002 0.000 0.245 26 V C 2.640 178.800 176.094 0.110 0.000 1.045 26 V CA 1.381 63.771 62.300 0.150 0.000 1.024 26 V CB -0.192 31.681 31.823 0.084 0.000 0.651 26 V HN 0.292 nan 8.190 nan 0.000 0.449 27 R N -0.728 119.788 120.500 0.026 0.000 2.081 27 R HA -0.154 4.187 4.340 0.002 0.000 0.235 27 R C 2.198 178.505 176.300 0.012 0.000 1.131 27 R CA 1.812 57.913 56.100 0.002 0.000 0.960 27 R CB -1.025 29.251 30.300 -0.040 0.000 0.856 27 R HN 0.565 nan 8.270 nan 0.000 0.436 28 F N 0.665 120.534 119.950 -0.135 0.000 2.069 28 F HA -0.219 4.309 4.527 0.002 0.000 0.298 28 F C 2.093 177.843 175.800 -0.083 0.000 1.113 28 F CA 1.603 59.502 58.000 -0.169 0.000 1.214 28 F CB -0.496 38.334 39.000 -0.283 0.000 0.978 28 F HN -0.098 nan 8.300 nan 0.000 0.474 29 F N 0.292 120.381 119.950 0.231 0.000 2.171 29 F HA -0.257 4.272 4.527 0.003 0.000 0.300 29 F C 2.722 178.484 175.800 -0.062 0.000 1.090 29 F CA 1.252 59.309 58.000 0.095 0.000 1.293 29 F CB -0.657 38.420 39.000 0.128 0.000 1.013 29 F HN 0.109 nan 8.300 nan 0.000 0.486 30 Q N 0.921 120.801 119.800 0.133 0.000 2.084 30 Q HA -0.250 4.092 4.340 0.002 0.000 0.202 30 Q C 2.334 178.291 176.000 -0.071 0.000 0.978 30 Q CA 1.491 57.303 55.803 0.015 0.000 0.844 30 Q CB -0.179 28.562 28.738 0.005 0.000 0.898 30 Q HN 0.311 nan 8.270 nan 0.000 0.426 31 R N -0.612 119.808 120.500 -0.132 0.000 2.092 31 R HA -0.114 4.227 4.340 0.002 0.000 0.231 31 R C 2.232 178.382 176.300 -0.250 0.000 1.119 31 R CA 1.483 57.456 56.100 -0.211 0.000 0.970 31 R CB -0.275 29.851 30.300 -0.291 0.000 0.864 31 R HN 0.405 nan 8.270 nan 0.000 0.440 32 C N 0.387 119.529 119.300 -0.263 0.000 2.425 32 C HA -0.035 4.426 4.460 0.002 0.000 0.277 32 C C 2.250 177.143 174.990 -0.162 0.000 1.280 32 C CA 0.189 59.076 59.018 -0.220 0.000 1.744 32 C CB -0.723 26.962 27.740 -0.091 0.000 1.989 32 C HN 0.450 nan 8.230 nan 0.000 0.491 33 L N 0.802 121.943 121.223 -0.137 0.000 2.465 33 L HA -0.038 4.304 4.340 0.002 0.000 0.224 33 L C 2.191 178.942 176.870 -0.198 0.000 1.145 33 L CA 1.477 56.213 54.840 -0.175 0.000 0.834 33 L CB -1.505 40.462 42.059 -0.154 0.000 0.944 33 L HN 0.577 nan 8.230 nan 0.000 0.451 34 Q N -1.157 118.541 119.800 -0.169 0.000 1.714 34 Q HA 0.139 4.481 4.340 0.002 0.000 0.383 34 Q C -0.118 175.792 176.000 -0.151 0.000 0.936 34 Q CA 0.456 56.166 55.803 -0.156 0.000 0.888 34 Q CB 0.240 28.899 28.738 -0.131 0.000 0.973 34 Q HN 0.109 nan 8.270 nan 0.000 0.420 35 V N 0.940 120.773 119.914 -0.135 0.000 2.876 35 V HA 0.421 4.543 4.120 0.002 0.000 0.312 35 V C -0.987 175.035 176.094 -0.120 0.000 1.085 35 V CA -0.635 61.599 62.300 -0.110 0.000 0.945 35 V CB 2.042 33.818 31.823 -0.079 0.000 1.017 35 V HN 0.268 nan 8.190 nan 0.000 0.428 36 L N 4.060 125.229 121.223 -0.089 0.000 2.354 36 L HA 0.636 4.977 4.340 0.002 0.000 0.269 36 L C -2.437 174.460 176.870 0.045 0.000 1.005 36 L CA -1.758 53.028 54.840 -0.090 0.000 0.819 36 L CB 1.934 43.911 42.059 -0.138 0.000 1.311 36 L HN 0.432 nan 8.230 nan 0.000 0.423 37 P HA 0.058 nan 4.420 nan 0.000 0.272 37 P C 0.395 177.816 177.300 0.202 0.000 1.240 37 P CA -0.433 62.768 63.100 0.170 0.000 0.791 37 P CB 0.701 32.527 31.700 0.211 0.000 0.978 38 E N 1.039 121.302 120.200 0.105 0.000 2.331 38 E HA -0.228 4.124 4.350 0.002 0.000 0.199 38 E C 1.441 178.062 176.600 0.035 0.000 1.008 38 E CA 0.573 57.016 56.400 0.073 0.000 0.843 38 E CB 0.028 29.752 29.700 0.039 0.000 0.761 38 E HN 0.320 nan 8.360 nan 0.000 0.507 39 R N -0.717 119.769 120.500 -0.025 0.000 2.357 39 R HA -0.128 4.214 4.340 0.002 0.000 0.202 39 R C 0.400 176.448 176.300 -0.421 0.000 1.047 39 R CA 0.982 56.942 56.100 -0.233 0.000 1.034 39 R CB -0.295 29.802 30.300 -0.337 0.000 0.875 39 R HN 0.239 nan 8.270 nan 0.000 0.473 40 Y N 1.054 121.372 120.300 0.030 0.000 2.681 40 Y HA 0.194 4.746 4.550 0.003 0.000 0.267 40 Y C 1.770 177.690 175.900 0.033 0.000 1.166 40 Y CA -0.215 57.907 58.100 0.038 0.000 1.209 40 Y CB 0.720 39.202 38.460 0.035 0.000 1.161 40 Y HN 0.175 nan 8.280 nan 0.000 0.534 41 S N -0.826 114.932 115.700 0.095 0.000 2.419 41 S HA -0.234 4.237 4.470 0.002 0.000 0.235 41 S C 2.014 176.645 174.600 0.052 0.000 1.019 41 S CA 1.377 59.619 58.200 0.070 0.000 0.982 41 S CB -0.674 62.550 63.200 0.041 0.000 0.789 41 S HN 0.490 nan 8.310 nan 0.000 0.490 42 S N 1.160 116.889 115.700 0.050 0.000 2.603 42 S HA 0.209 4.681 4.470 0.002 0.000 0.229 42 S C 1.443 176.071 174.600 0.047 0.000 0.972 42 S CA 0.262 58.485 58.200 0.038 0.000 0.935 42 S CB -0.658 62.567 63.200 0.042 0.000 0.769 42 S HN 0.583 nan 8.310 nan 0.000 0.536 43 L N 0.306 121.576 121.223 0.079 0.000 2.554 43 L HA 0.238 4.580 4.340 0.002 0.000 0.225 43 L C 2.541 179.429 176.870 0.031 0.000 1.104 43 L CA 0.406 55.293 54.840 0.078 0.000 0.866 43 L CB -0.367 41.775 42.059 0.137 0.000 1.047 43 L HN 0.258 nan 8.230 nan 0.000 0.468 44 E N 1.451 121.662 120.200 0.019 0.000 2.095 44 E HA -0.308 4.043 4.350 0.002 0.000 0.212 44 E C 1.936 178.490 176.600 -0.077 0.000 1.044 44 E CA 2.650 59.050 56.400 0.000 0.000 0.857 44 E CB -0.373 29.321 29.700 -0.010 0.000 0.764 44 E HN 0.427 nan 8.360 nan 0.000 0.462 45 T N -2.442 111.971 114.554 -0.236 0.000 3.227 45 T HA 0.033 4.384 4.350 0.002 0.000 0.257 45 T C 0.796 175.369 174.700 -0.213 0.000 1.162 45 T CA 0.698 62.560 62.100 -0.397 0.000 1.051 45 T CB -0.364 68.129 68.868 -0.624 0.000 0.953 45 T HN 0.149 nan 8.240 nan 0.000 0.535 46 S N -0.763 114.872 115.700 -0.110 0.000 2.941 46 S HA 0.405 4.877 4.470 0.002 0.000 0.248 46 S C 1.008 175.596 174.600 -0.020 0.000 0.962 46 S CA -0.958 57.186 58.200 -0.093 0.000 1.092 46 S CB 0.162 63.306 63.200 -0.095 0.000 1.113 46 S HN 0.321 nan 8.310 nan 0.000 0.512 47 R N 0.352 120.879 120.500 0.046 0.000 2.120 47 R HA 0.065 4.407 4.340 0.002 0.000 0.234 47 R C 1.914 178.308 176.300 0.156 0.000 1.123 47 R CA 1.058 57.230 56.100 0.119 0.000 0.975 47 R CB -0.403 30.029 30.300 0.220 0.000 0.866 47 R HN 0.375 nan 8.270 nan 0.000 0.446 48 L N 1.043 122.346 121.223 0.134 0.000 2.131 48 L HA -0.153 4.188 4.340 0.002 0.000 0.210 48 L C 2.244 179.078 176.870 -0.060 0.000 1.092 48 L CA 2.213 57.110 54.840 0.095 0.000 0.759 48 L CB -0.794 41.222 42.059 -0.071 0.000 0.903 48 L HN 0.288 nan 8.230 nan 0.000 0.435 49 T N -3.818 110.640 114.554 -0.159 0.000 2.985 49 T HA -0.065 4.287 4.350 0.002 0.000 0.266 49 T C 1.921 176.294 174.700 -0.546 0.000 1.076 49 T CA 0.848 62.726 62.100 -0.369 0.000 1.135 49 T CB -0.374 68.280 68.868 -0.357 0.000 0.890 49 T HN 0.182 nan 8.240 nan 0.000 0.480 50 I N 2.248 122.671 120.570 -0.245 0.000 2.353 50 I HA 0.079 4.250 4.170 0.002 0.000 0.248 50 I C 3.084 179.141 176.117 -0.101 0.000 1.119 50 I CA 0.931 62.166 61.300 -0.107 0.000 1.417 50 I CB -1.734 36.283 38.000 0.028 0.000 1.078 50 I HN 0.378 nan 8.210 nan 0.000 0.421 51 A N 0.924 123.700 122.820 -0.072 0.000 1.877 51 A HA -0.270 4.052 4.320 0.002 0.000 0.216 51 A C 2.301 179.795 177.584 -0.151 0.000 1.186 51 A CA 1.472 53.470 52.037 -0.066 0.000 0.620 51 A CB -1.130 17.930 19.000 0.100 0.000 0.822 51 A HN 0.374 nan 8.150 nan 0.000 0.443 52 F N 0.007 119.748 119.950 -0.348 0.000 2.095 52 F HA -0.201 4.328 4.527 0.002 0.000 0.298 52 F C 1.991 177.461 175.800 -0.550 0.000 1.104 52 F CA 1.731 59.448 58.000 -0.471 0.000 1.232 52 F CB -0.546 38.099 39.000 -0.593 0.000 0.987 52 F HN 0.266 nan 8.300 nan 0.000 0.475 53 F N 0.082 119.657 119.950 -0.626 0.000 2.126 53 F HA -0.213 4.316 4.527 0.002 0.000 0.299 53 F C 2.593 177.861 175.800 -0.887 0.000 1.096 53 F CA 0.583 58.038 58.000 -0.908 0.000 1.255 53 F CB -0.810 38.000 39.000 -0.318 0.000 0.997 53 F HN 0.133 nan 8.300 nan 0.000 0.479 54 A N 0.273 122.871 122.820 -0.369 0.000 1.897 54 A HA -0.050 4.272 4.320 0.002 0.000 0.215 54 A C 2.122 179.350 177.584 -0.594 0.000 1.181 54 A CA 0.963 52.722 52.037 -0.463 0.000 0.620 54 A CB -0.845 18.101 19.000 -0.090 0.000 0.821 54 A HN 0.340 nan 8.150 nan 0.000 0.443 55 L N -1.065 119.881 121.223 -0.462 0.000 2.044 55 L HA -0.100 4.241 4.340 0.002 0.000 0.205 55 L C 2.861 179.457 176.870 -0.457 0.000 1.075 55 L CA 1.476 56.094 54.840 -0.370 0.000 0.747 55 L CB -0.478 41.429 42.059 -0.253 0.000 0.903 55 L HN 0.445 nan 8.230 nan 0.000 0.435 56 S N -0.056 115.223 115.700 -0.701 0.000 2.402 56 S HA -0.105 4.366 4.470 0.002 0.000 0.229 56 S C 1.975 176.313 174.600 -0.437 0.000 1.021 56 S CA 1.207 59.022 58.200 -0.642 0.000 0.974 56 S CB -0.350 62.127 63.200 -1.205 0.000 0.800 56 S HN 0.521 nan 8.310 nan 0.000 0.484 57 G N 1.516 109.893 108.800 -0.704 0.000 2.421 57 G HA2 -0.104 3.858 3.960 0.002 0.000 0.216 57 G HA3 -0.104 3.858 3.960 0.002 0.000 0.216 57 G C 1.394 176.038 174.900 -0.427 0.000 1.171 57 G CA 0.811 45.464 45.100 -0.746 0.000 0.775 57 G HN 0.504 nan 8.290 nan 0.000 0.543 58 L N 0.315 121.280 121.223 -0.429 0.000 2.046 58 L HA -0.067 4.275 4.340 0.002 0.000 0.208 58 L C 2.616 179.455 176.870 -0.051 0.000 1.077 58 L CA 1.354 56.143 54.840 -0.085 0.000 0.747 58 L CB -0.396 41.618 42.059 -0.074 0.000 0.896 58 L HN 0.186 nan 8.230 nan 0.000 0.432 59 D N 0.203 120.534 120.400 -0.115 0.000 2.106 59 D HA -0.282 4.360 4.640 0.002 0.000 0.191 59 D C 2.134 178.417 176.300 -0.029 0.000 0.997 59 D CA 1.597 55.555 54.000 -0.069 0.000 0.834 59 D CB -0.015 40.725 40.800 -0.100 0.000 0.956 59 D HN 0.029 nan 8.370 nan 0.000 0.448 60 M N -0.389 119.189 119.600 -0.037 0.000 2.267 60 M HA -0.024 4.457 4.480 0.002 0.000 0.263 60 M C 1.497 177.824 176.300 0.045 0.000 1.063 60 M CA 1.184 56.478 55.300 -0.009 0.000 1.090 60 M CB -0.082 32.496 32.600 -0.038 0.000 1.392 60 M HN 0.115 nan 8.290 nan 0.000 0.422 61 L N -1.292 119.985 121.223 0.090 0.000 2.628 61 L HA 0.134 4.475 4.340 0.002 0.000 0.229 61 L C 0.141 177.071 176.870 0.100 0.000 1.137 61 L CA -0.195 54.735 54.840 0.149 0.000 0.909 61 L CB -0.423 41.781 42.059 0.240 0.000 1.137 61 L HN 0.244 nan 8.230 nan 0.000 0.470 62 D N 0.600 121.034 120.400 0.058 0.000 2.737 62 D HA -0.203 4.438 4.640 0.002 0.000 0.238 62 D C 0.192 176.518 176.300 0.042 0.000 1.157 62 D CA 0.726 54.750 54.000 0.040 0.000 0.694 62 D CB -0.661 40.164 40.800 0.042 0.000 1.021 62 D HN 0.224 nan 8.370 nan 0.000 0.420 63 S N -0.047 115.676 115.700 0.039 0.000 3.021 63 S HA 0.185 4.656 4.470 0.002 0.000 0.252 63 S C 1.532 176.143 174.600 0.019 0.000 0.996 63 S CA -0.593 57.631 58.200 0.039 0.000 1.084 63 S CB 0.222 63.463 63.200 0.068 0.000 1.021 63 S HN 0.396 nan 8.310 nan 0.000 0.566 64 L N 2.191 123.415 121.223 0.001 0.000 2.353 64 L HA -0.139 4.202 4.340 0.002 0.000 0.220 64 L C 2.139 179.005 176.870 -0.007 0.000 1.133 64 L CA 1.189 56.021 54.840 -0.015 0.000 0.798 64 L CB -0.324 41.721 42.059 -0.024 0.000 0.922 64 L HN 0.491 nan 8.230 nan 0.000 0.445 65 D N 0.047 120.449 120.400 0.002 0.000 2.263 65 D HA -0.154 4.488 4.640 0.002 0.000 0.208 65 D C 1.804 178.104 176.300 -0.000 0.000 0.971 65 D CA 1.432 55.433 54.000 0.002 0.000 0.867 65 D CB -0.407 40.396 40.800 0.006 0.000 0.929 65 D HN 0.415 nan 8.370 nan 0.000 0.492 66 V N -0.519 119.396 119.914 0.001 0.000 3.541 66 V HA 0.071 4.193 4.120 0.002 0.000 0.272 66 V C 0.844 176.931 176.094 -0.012 0.000 1.215 66 V CA 0.205 62.504 62.300 -0.002 0.000 1.176 66 V CB -1.197 30.629 31.823 0.005 0.000 0.854 66 V HN 0.195 nan 8.190 nan 0.000 0.496 67 V N -2.515 117.390 119.914 -0.015 0.000 3.074 67 V HA 0.609 4.730 4.120 0.002 0.000 0.314 67 V C -0.186 175.898 176.094 -0.016 0.000 1.117 67 V CA -0.982 61.304 62.300 -0.025 0.000 1.014 67 V CB 1.903 33.704 31.823 -0.037 0.000 1.057 67 V HN 0.227 nan 8.190 nan 0.000 0.438 68 N N 1.538 120.228 118.700 -0.017 0.000 2.719 68 N HA 0.249 4.990 4.740 0.002 0.000 0.243 68 N C 0.849 176.367 175.510 0.013 0.000 1.104 68 N CA -0.069 52.980 53.050 -0.001 0.000 0.981 68 N CB 0.719 39.204 38.487 -0.003 0.000 1.290 68 N HN 0.789 nan 8.380 nan 0.000 0.513 69 K N 1.000 121.410 120.400 0.016 0.000 2.089 69 K HA -0.185 4.137 4.320 0.002 0.000 0.210 69 K C 0.804 177.439 176.600 0.059 0.000 1.048 69 K CA 1.506 57.812 56.287 0.030 0.000 0.926 69 K CB 0.220 32.735 32.500 0.025 0.000 0.714 69 K HN 0.471 nan 8.250 nan 0.000 0.448 70 D N 0.920 121.356 120.400 0.060 0.000 2.117 70 D HA -0.146 4.496 4.640 0.002 0.000 0.197 70 D C 1.564 177.931 176.300 0.112 0.000 0.987 70 D CA 1.173 55.223 54.000 0.083 0.000 0.829 70 D CB -0.219 40.620 40.800 0.066 0.000 0.961 70 D HN 0.192 nan 8.370 nan 0.000 0.460 71 D N 0.781 121.236 120.400 0.092 0.000 2.084 71 D HA -0.084 4.558 4.640 0.002 0.000 0.194 71 D C 2.354 178.761 176.300 0.179 0.000 0.990 71 D CA 0.438 54.507 54.000 0.115 0.000 0.826 71 D CB -0.355 40.478 40.800 0.055 0.000 0.971 71 D HN 0.271 nan 8.370 nan 0.000 0.453 72 I N 0.873 121.524 120.570 0.136 0.000 2.264 72 I HA -0.224 3.947 4.170 0.002 0.000 0.248 72 I C 2.380 178.657 176.117 0.268 0.000 1.111 72 I CA 0.677 62.093 61.300 0.194 0.000 1.382 72 I CB -0.185 37.870 38.000 0.091 0.000 1.060 72 I HN -0.011 nan 8.210 nan 0.000 0.418 73 I N 0.400 121.089 120.570 0.197 0.000 2.286 73 I HA -0.231 3.940 4.170 0.002 0.000 0.248 73 I C 2.516 178.809 176.117 0.294 0.000 1.115 73 I CA 1.142 62.563 61.300 0.201 0.000 1.392 73 I CB -0.402 37.720 38.000 0.203 0.000 1.065 73 I HN 0.231 nan 8.210 nan 0.000 0.418 74 E N 0.001 120.388 120.200 0.311 0.000 2.106 74 E HA -0.251 4.101 4.350 0.002 0.000 0.192 74 E C 1.709 178.522 176.600 0.355 0.000 0.984 74 E CA 1.123 57.725 56.400 0.337 0.000 0.806 74 E CB -0.434 29.473 29.700 0.345 0.000 0.750 74 E HN 0.602 nan 8.360 nan 0.000 0.458 75 W N 1.760 123.204 121.300 0.240 0.000 2.355 75 W HA -0.130 4.532 4.660 0.003 0.000 0.309 75 W C 1.983 178.568 176.519 0.111 0.000 1.206 75 W CA 1.440 58.931 57.345 0.244 0.000 1.284 75 W CB -0.463 29.106 29.460 0.182 0.000 1.145 75 W HN -0.058 nan 8.180 nan 0.000 0.502 76 I N -0.611 119.974 120.570 0.026 0.000 2.179 76 I HA -0.366 3.805 4.170 0.002 0.000 0.242 76 I C 2.103 178.112 176.117 -0.180 0.000 1.088 76 I CA 1.467 62.615 61.300 -0.253 0.000 1.357 76 I CB -0.921 36.983 38.000 -0.160 0.000 1.051 76 I HN -0.071 nan 8.210 nan 0.000 0.409 77 Y N 1.123 121.411 120.300 -0.019 0.000 2.403 77 Y HA -0.206 4.346 4.550 0.002 0.000 0.291 77 Y C 2.909 178.654 175.900 -0.259 0.000 1.143 77 Y CA 1.338 59.401 58.100 -0.063 0.000 1.257 77 Y CB -0.577 37.857 38.460 -0.043 0.000 0.984 77 Y HN 0.273 nan 8.280 nan 0.000 0.550 78 S N -1.047 114.503 115.700 -0.250 0.000 2.515 78 S HA -0.053 4.418 4.470 0.002 0.000 0.231 78 S C 1.504 175.870 174.600 -0.390 0.000 0.987 78 S CA 0.604 58.512 58.200 -0.488 0.000 0.936 78 S CB -0.603 62.056 63.200 -0.902 0.000 0.766 78 S HN 0.488 nan 8.310 nan 0.000 0.528 79 L N 0.521 121.530 121.223 -0.357 0.000 2.592 79 L HA 0.280 4.622 4.340 0.002 0.000 0.227 79 L C 1.288 177.939 176.870 -0.366 0.000 1.127 79 L CA -0.032 54.624 54.840 -0.307 0.000 0.884 79 L CB -0.179 41.701 42.059 -0.298 0.000 1.065 79 L HN 0.408 nan 8.230 nan 0.000 0.457 80 Q N 1.293 120.742 119.800 -0.585 0.000 2.304 80 Q HA 0.184 4.525 4.340 0.002 0.000 0.260 80 Q C -0.703 174.980 176.000 -0.528 0.000 0.965 80 Q CA -0.224 54.979 55.803 -1.000 0.000 0.898 80 Q CB 1.477 29.588 28.738 -1.045 0.000 1.196 80 Q HN -0.029 nan 8.270 nan 0.000 0.402 81 V N 6.985 126.629 119.914 -0.450 0.000 2.339 81 V HA 0.168 4.289 4.120 0.002 0.000 0.261 81 V C 0.177 176.131 176.094 -0.234 0.000 1.058 81 V CA -0.157 61.984 62.300 -0.265 0.000 0.897 81 V CB 0.119 31.831 31.823 -0.185 0.000 1.052 81 V HN 0.734 nan 8.190 nan 0.000 0.480 82 L N 7.957 129.059 121.223 -0.203 0.000 2.399 82 L HA 0.462 4.803 4.340 0.002 0.000 0.266 82 L C -1.776 175.024 176.870 -0.116 0.000 1.114 82 L CA -1.737 53.008 54.840 -0.158 0.000 0.804 82 L CB 1.150 43.121 42.059 -0.147 0.000 1.146 82 L HN 0.381 nan 8.230 nan 0.000 0.451 83 P HA 0.088 nan 4.420 nan 0.000 0.274 83 P C -0.582 176.676 177.300 -0.070 0.000 1.231 83 P CA -0.378 62.676 63.100 -0.077 0.000 0.790 83 P CB 0.681 32.340 31.700 -0.068 0.000 0.951 84 T N -2.366 112.152 114.554 -0.060 0.000 2.788 84 T HA 0.319 4.670 4.350 0.002 0.000 0.280 84 T C 1.727 176.398 174.700 -0.049 0.000 0.984 84 T CA 0.195 62.263 62.100 -0.053 0.000 0.972 84 T CB -0.259 68.580 68.868 -0.047 0.000 1.039 84 T HN 0.448 nan 8.240 nan 0.000 0.530 85 E N 1.141 121.314 120.200 -0.044 0.000 2.065 85 E HA -0.257 4.094 4.350 0.002 0.000 0.201 85 E C 1.493 178.070 176.600 -0.038 0.000 1.016 85 E CA 1.986 58.362 56.400 -0.040 0.000 0.818 85 E CB -1.542 28.136 29.700 -0.036 0.000 0.749 85 E HN 0.985 nan 8.360 nan 0.000 0.453 86 D N -0.543 119.835 120.400 -0.036 0.000 2.352 86 D HA -0.050 4.591 4.640 0.002 0.000 0.232 86 D C 0.383 176.662 176.300 -0.036 0.000 1.055 86 D CA 0.312 54.292 54.000 -0.034 0.000 0.891 86 D CB -0.520 40.260 40.800 -0.032 0.000 0.897 86 D HN 0.476 nan 8.370 nan 0.000 0.529 87 R N -0.198 120.278 120.500 -0.040 0.000 3.484 87 R HA -0.192 4.149 4.340 0.002 0.000 0.260 87 R C 0.678 176.955 176.300 -0.039 0.000 1.053 87 R CA 0.943 57.019 56.100 -0.041 0.000 0.703 87 R CB -2.684 27.592 30.300 -0.039 0.000 1.089 87 R HN 0.500 nan 8.270 nan 0.000 0.459 88 S N -0.021 115.655 115.700 -0.040 0.000 2.593 88 S HA -0.030 4.441 4.470 0.002 0.000 0.217 88 S C 0.992 175.567 174.600 -0.042 0.000 0.966 88 S CA 0.311 58.488 58.200 -0.039 0.000 0.914 88 S CB 0.120 63.297 63.200 -0.038 0.000 0.776 88 S HN 0.537 nan 8.310 nan 0.000 0.523 89 N N 1.126 119.799 118.700 -0.045 0.000 2.416 89 N HA 0.221 4.962 4.740 0.002 0.000 0.267 89 N C 0.749 176.230 175.510 -0.048 0.000 1.294 89 N CA -0.400 52.622 53.050 -0.048 0.000 0.891 89 N CB -0.448 38.007 38.487 -0.052 0.000 1.238 89 N HN 0.321 nan 8.380 nan 0.000 0.508 90 L N 0.058 121.255 121.223 -0.043 0.000 2.083 90 L HA -0.112 4.230 4.340 0.002 0.000 0.209 90 L C 0.866 177.714 176.870 -0.036 0.000 1.083 90 L CA 1.308 56.123 54.840 -0.042 0.000 0.752 90 L CB -0.180 41.857 42.059 -0.036 0.000 0.899 90 L HN 0.086 nan 8.230 nan 0.000 0.433 91 D N -0.061 120.320 120.400 -0.032 0.000 2.392 91 D HA -0.085 4.556 4.640 0.002 0.000 0.228 91 D C 1.553 177.836 176.300 -0.029 0.000 1.003 91 D CA 0.727 54.711 54.000 -0.027 0.000 0.917 91 D CB 0.070 40.855 40.800 -0.025 0.000 0.890 91 D HN 0.355 nan 8.370 nan 0.000 0.532 92 R N -0.648 119.830 120.500 -0.037 0.000 2.508 92 R HA 0.202 4.544 4.340 0.002 0.000 0.300 92 R C 0.102 176.372 176.300 -0.049 0.000 0.970 92 R CA -0.200 55.877 56.100 -0.039 0.000 1.102 92 R CB 0.262 30.536 30.300 -0.042 0.000 1.246 92 R HN 0.059 nan 8.270 nan 0.000 0.539 93 C N 0.810 120.079 119.300 -0.053 0.000 2.520 93 C HA 0.759 5.221 4.460 0.002 0.000 0.376 93 C C 1.410 176.370 174.990 -0.049 0.000 1.268 93 C CA 0.349 59.324 59.018 -0.072 0.000 2.414 93 C CB 0.972 28.666 27.740 -0.077 0.000 2.521 93 C HN 0.784 nan 8.230 nan 0.000 0.618 94 G N 0.767 109.520 108.800 -0.079 0.000 2.366 94 G HA2 0.273 4.235 3.960 0.002 0.000 0.190 94 G HA3 0.273 4.235 3.960 0.002 0.000 0.190 94 G C -1.619 173.251 174.900 -0.051 0.000 1.299 94 G CA -0.509 44.614 45.100 0.038 0.000 1.056 94 G HN 0.424 nan 8.290 nan 0.000 0.468 95 F N 1.219 121.124 119.950 -0.075 0.000 2.561 95 F HA 0.771 5.300 4.527 0.002 0.000 0.321 95 F C 0.871 176.627 175.800 -0.073 0.000 1.065 95 F CA -0.739 57.198 58.000 -0.105 0.000 0.934 95 F CB 2.084 40.995 39.000 -0.149 0.000 1.215 95 F HN 0.398 nan 8.300 nan 0.000 0.471 96 R N 0.070 120.609 120.500 0.066 0.000 2.573 96 R HA 0.476 4.817 4.340 0.002 0.000 0.272 96 R C 0.986 177.310 176.300 0.039 0.000 1.009 96 R CA -0.325 55.806 56.100 0.052 0.000 1.059 96 R CB 0.670 30.960 30.300 -0.015 0.000 1.112 96 R HN 0.908 nan 8.270 nan 0.000 0.517 97 G N -0.037 108.804 108.800 0.068 0.000 2.464 97 G HA2 -0.113 3.849 3.960 0.002 0.000 0.217 97 G HA3 -0.113 3.849 3.960 0.002 0.000 0.217 97 G C 0.329 175.256 174.900 0.045 0.000 1.138 97 G CA 0.919 46.017 45.100 -0.003 0.000 0.793 97 G HN 0.636 nan 8.290 nan 0.000 0.539 98 S N -1.933 113.850 115.700 0.139 0.000 2.694 98 S HA 0.351 4.823 4.470 0.002 0.000 0.273 98 S C 0.326 175.034 174.600 0.180 0.000 1.180 98 S CA 0.485 58.794 58.200 0.181 0.000 0.864 98 S CB 0.745 64.109 63.200 0.273 0.000 1.198 98 S HN 0.509 nan 8.310 nan 0.000 0.499 99 S N 0.267 116.078 115.700 0.186 0.000 2.622 99 S HA 0.140 4.611 4.470 0.002 0.000 0.236 99 S C 1.265 175.906 174.600 0.068 0.000 0.956 99 S CA 0.137 58.386 58.200 0.083 0.000 0.971 99 S CB -1.327 61.954 63.200 0.135 0.000 0.782 99 S HN 1.002 nan 8.310 nan 0.000 0.468 100 Y N 0.646 120.969 120.300 0.037 0.000 2.465 100 Y HA 0.082 4.633 4.550 0.002 0.000 0.289 100 Y C 1.427 177.338 175.900 0.019 0.000 1.150 100 Y CA 0.264 58.385 58.100 0.035 0.000 1.293 100 Y CB -0.710 37.768 38.460 0.030 0.000 0.977 100 Y HN 0.316 nan 8.280 nan 0.000 0.556 101 L N 0.500 121.321 121.223 -0.670 0.000 2.395 101 L HA 0.140 4.481 4.340 0.002 0.000 0.218 101 L C 1.690 178.459 176.870 -0.169 0.000 1.130 101 L CA 1.027 55.571 54.840 -0.493 0.000 0.826 101 L CB -0.700 40.958 42.059 -0.669 0.000 0.941 101 L HN 0.673 nan 8.230 nan 0.000 0.451 102 G N 1.001 109.743 108.800 -0.096 0.000 2.142 102 G HA2 -0.253 3.709 3.960 0.002 0.000 0.225 102 G HA3 -0.253 3.709 3.960 0.002 0.000 0.225 102 G C 0.096 175.002 174.900 0.011 0.000 1.015 102 G CA -0.310 44.789 45.100 -0.002 0.000 0.716 102 G HN 0.264 nan 8.290 nan 0.000 0.508 103 I N 2.304 122.855 120.570 -0.031 0.000 2.395 103 I HA 0.243 4.415 4.170 0.002 0.000 0.289 103 I C -0.937 175.191 176.117 0.018 0.000 1.023 103 I CA -1.965 59.328 61.300 -0.012 0.000 1.350 103 I CB 0.948 38.903 38.000 -0.076 0.000 1.409 103 I HN 0.023 nan 8.210 nan 0.000 0.507 104 P HA -0.117 nan 4.420 nan 0.000 0.261 104 P C -0.413 176.942 177.300 0.091 0.000 1.183 104 P CA -0.019 63.126 63.100 0.075 0.000 0.761 104 P CB 0.233 31.966 31.700 0.055 0.000 0.785 105 F N 4.068 124.022 119.950 0.007 0.000 2.514 105 F HA -0.037 4.492 4.527 0.003 0.000 0.399 105 F C 0.484 176.286 175.800 0.004 0.000 1.011 105 F CA 0.571 58.579 58.000 0.013 0.000 1.109 105 F CB -0.230 38.795 39.000 0.042 0.000 0.980 105 F HN 0.322 nan 8.300 nan 0.000 0.538 106 N N 8.157 126.601 118.700 -0.425 0.000 2.609 106 N HA 0.314 5.055 4.740 0.002 0.000 0.268 106 N C -2.959 172.297 175.510 -0.422 0.000 1.106 106 N CA -2.230 50.640 53.050 -0.300 0.000 0.823 106 N CB 1.291 39.688 38.487 -0.151 0.000 1.263 106 N HN 0.150 nan 8.380 nan 0.000 0.533 107 P HA 0.066 nan 4.420 nan 0.000 0.244 107 P C -0.643 176.560 177.300 -0.162 0.000 1.723 107 P CA 0.152 63.087 63.100 -0.275 0.000 1.110 107 P CB -0.493 31.133 31.700 -0.123 0.000 1.972 108 S N -0.440 115.161 115.700 -0.165 0.000 3.491 108 S HA -0.233 4.238 4.470 0.002 0.000 0.371 108 S C 1.265 175.762 174.600 -0.171 0.000 0.980 108 S CA 1.608 59.710 58.200 -0.163 0.000 1.204 108 S CB -1.406 61.703 63.200 -0.151 0.000 0.915 108 S HN 0.793 nan 8.310 nan 0.000 0.482 109 K N 0.388 120.706 120.400 -0.137 0.000 2.530 109 K HA 0.556 4.877 4.320 0.002 0.000 0.218 109 K C 0.838 177.383 176.600 -0.091 0.000 1.064 109 K CA 0.932 57.156 56.287 -0.106 0.000 1.084 109 K CB -1.353 31.103 32.500 -0.074 0.000 1.392 109 K HN 0.894 nan 8.250 nan 0.000 0.465 110 N N 1.235 119.891 118.700 -0.074 0.000 2.207 110 N HA 0.423 5.164 4.740 0.002 0.000 0.223 110 N C -0.366 175.099 175.510 -0.074 0.000 1.339 110 N CA -0.091 52.921 53.050 -0.063 0.000 0.889 110 N CB -1.361 37.097 38.487 -0.049 0.000 1.128 110 N HN 0.743 nan 8.380 nan 0.000 0.456 111 P HA 0.524 nan 4.420 nan 0.000 0.327 111 P C 0.602 177.857 177.300 -0.075 0.000 1.342 111 P CA 1.251 64.309 63.100 -0.069 0.000 0.761 111 P CB -0.293 31.374 31.700 -0.056 0.000 1.675 112 G N -1.894 106.864 108.800 -0.070 0.000 2.368 112 G HA2 0.568 4.530 3.960 0.002 0.000 0.320 112 G HA3 0.568 4.530 3.960 0.002 0.000 0.320 112 G C 0.104 174.972 174.900 -0.053 0.000 1.158 112 G CA 0.893 45.949 45.100 -0.073 0.000 0.912 112 G HN 0.739 nan 8.290 nan 0.000 0.456 113 T N 1.050 115.576 114.554 -0.047 0.000 2.863 113 T HA 0.635 4.986 4.350 0.002 0.000 0.299 113 T C 0.905 175.602 174.700 -0.004 0.000 0.973 113 T CA 0.212 62.298 62.100 -0.024 0.000 0.994 113 T CB -0.098 68.761 68.868 -0.015 0.000 0.961 113 T HN 1.273 nan 8.240 nan 0.000 0.552 114 A N 3.531 126.344 122.820 -0.012 0.000 2.603 114 A HA 0.403 4.724 4.320 0.002 0.000 0.235 114 A C 0.311 177.920 177.584 0.042 0.000 1.035 114 A CA 0.355 52.390 52.037 -0.004 0.000 0.755 114 A CB -0.168 18.814 19.000 -0.029 0.000 0.954 114 A HN 0.983 nan 8.150 nan 0.000 0.511 115 H N 3.165 122.194 119.070 -0.069 0.000 3.042 115 H HA 0.323 4.880 4.556 0.002 0.000 0.345 115 H C -2.389 172.880 175.328 -0.099 0.000 1.052 115 H CA -1.449 54.563 56.048 -0.060 0.000 1.311 115 H CB 1.814 31.548 29.762 -0.046 0.000 1.810 115 H HN 0.354 nan 8.280 nan 0.000 0.505 116 P HA -0.156 nan 4.420 nan 0.000 0.218 116 P C 0.075 177.124 177.300 -0.418 0.000 1.152 116 P CA 1.634 64.575 63.100 -0.266 0.000 0.857 116 P CB 0.101 31.588 31.700 -0.354 0.000 0.787 117 Y N -2.683 117.837 120.300 0.366 0.000 2.682 117 Y HA 0.265 4.816 4.550 0.003 0.000 0.251 117 Y C 0.239 176.113 175.900 -0.044 0.000 1.172 117 Y CA -0.984 57.196 58.100 0.133 0.000 1.186 117 Y CB -0.076 38.464 38.460 0.133 0.000 1.216 117 Y HN -0.135 nan 8.280 nan 0.000 0.540 118 D N 1.459 121.836 120.400 -0.038 0.000 2.249 118 D HA 0.472 5.114 4.640 0.002 0.000 0.246 118 D C -0.222 176.031 176.300 -0.080 0.000 1.114 118 D CA 0.148 54.037 54.000 -0.184 0.000 0.854 118 D CB 0.763 41.383 40.800 -0.301 0.000 1.132 118 D HN 0.148 nan 8.370 nan 0.000 0.461 119 S N 1.521 117.187 115.700 -0.057 0.000 2.615 119 S HA 0.700 5.172 4.470 0.002 0.000 0.268 119 S C 0.135 174.730 174.600 -0.007 0.000 1.146 119 S CA -0.841 57.338 58.200 -0.035 0.000 0.818 119 S CB 0.666 63.858 63.200 -0.013 0.000 1.111 119 S HN 0.513 nan 8.310 nan 0.000 0.465 120 G N 0.067 108.862 108.800 -0.009 0.000 2.599 120 G HA2 0.481 4.442 3.960 0.002 0.000 0.264 120 G HA3 0.481 4.442 3.960 0.002 0.000 0.264 120 G C -0.725 174.217 174.900 0.070 0.000 1.200 120 G CA -0.244 44.877 45.100 0.034 0.000 0.896 120 G HN 0.876 nan 8.290 nan 0.000 0.536 121 H N 0.823 119.890 119.070 -0.005 0.000 2.658 121 H HA 0.221 4.778 4.556 0.002 0.000 0.337 121 H C 1.062 176.352 175.328 -0.064 0.000 1.009 121 H CA -0.710 55.309 56.048 -0.048 0.000 1.231 121 H CB 1.776 31.525 29.762 -0.023 0.000 1.508 121 H HN 0.385 nan 8.280 nan 0.000 0.517 122 I N 3.999 124.406 120.570 -0.272 0.000 2.236 122 I HA -0.331 3.841 4.170 0.002 0.000 0.249 122 I C 1.908 178.060 176.117 0.058 0.000 1.102 122 I CA 1.924 63.134 61.300 -0.150 0.000 1.365 122 I CB -0.050 37.765 38.000 -0.308 0.000 1.051 122 I HN 0.701 nan 8.210 nan 0.000 0.420 123 A N -0.176 122.802 122.820 0.263 0.000 2.066 123 A HA -0.121 4.200 4.320 0.002 0.000 0.218 123 A C 2.090 179.777 177.584 0.171 0.000 1.157 123 A CA 1.056 53.301 52.037 0.346 0.000 0.670 123 A CB -0.259 19.015 19.000 0.457 0.000 0.804 123 A HN 0.425 nan 8.150 nan 0.000 0.453 124 M N -0.917 118.779 119.600 0.160 0.000 2.287 124 M HA 0.001 4.483 4.480 0.002 0.000 0.266 124 M C 2.007 178.251 176.300 -0.094 0.000 1.079 124 M CA 1.509 56.800 55.300 -0.014 0.000 1.146 124 M CB -1.931 30.690 32.600 0.035 0.000 1.374 124 M HN 0.311 nan 8.290 nan 0.000 0.435 125 T N 0.547 115.108 114.554 0.012 0.000 2.746 125 T HA -0.170 4.182 4.350 0.002 0.000 0.267 125 T C 1.701 176.280 174.700 -0.201 0.000 1.039 125 T CA 1.494 63.567 62.100 -0.044 0.000 1.142 125 T CB -0.460 68.456 68.868 0.080 0.000 0.866 125 T HN 0.361 nan 8.240 nan 0.000 0.444 126 Y N 3.012 123.184 120.300 -0.214 0.000 2.070 126 Y HA -0.202 4.349 4.550 0.002 0.000 0.279 126 Y C 2.699 178.387 175.900 -0.353 0.000 1.134 126 Y CA 1.947 59.891 58.100 -0.260 0.000 1.113 126 Y CB -1.271 37.062 38.460 -0.212 0.000 0.981 126 Y HN 0.289 nan 8.280 nan 0.000 0.487 127 T N -1.905 112.081 114.554 -0.946 0.000 2.881 127 T HA -0.043 4.308 4.350 0.002 0.000 0.270 127 T C 2.177 176.489 174.700 -0.647 0.000 1.068 127 T CA 1.072 62.524 62.100 -1.081 0.000 1.131 127 T CB -1.333 67.040 68.868 -0.824 0.000 0.871 127 T HN 0.456 nan 8.240 nan 0.000 0.479 128 G N 1.947 110.377 108.800 -0.618 0.000 2.434 128 G HA2 -0.030 3.932 3.960 0.002 0.000 0.214 128 G HA3 -0.030 3.932 3.960 0.002 0.000 0.214 128 G C 1.482 175.947 174.900 -0.726 0.000 1.202 128 G CA 0.678 45.322 45.100 -0.760 0.000 0.788 128 G HN 0.499 nan 8.290 nan 0.000 0.539 129 L N 0.632 121.428 121.223 -0.712 0.000 2.012 129 L HA -0.138 4.204 4.340 0.002 0.000 0.210 129 L C 3.112 179.818 176.870 -0.273 0.000 1.073 129 L CA 1.427 56.014 54.840 -0.421 0.000 0.748 129 L CB -0.558 41.350 42.059 -0.253 0.000 0.891 129 L HN 0.356 nan 8.230 nan 0.000 0.431 130 S N -0.909 114.603 115.700 -0.312 0.000 2.359 130 S HA -0.244 4.228 4.470 0.002 0.000 0.224 130 S C 2.179 176.718 174.600 -0.102 0.000 1.035 130 S CA 1.734 59.812 58.200 -0.204 0.000 1.018 130 S CB -0.348 62.591 63.200 -0.435 0.000 0.876 130 S HN 0.508 nan 8.310 nan 0.000 0.448 131 C N 0.974 120.188 119.300 -0.143 0.000 2.429 131 C HA 0.065 4.527 4.460 0.002 0.000 0.277 131 C C 2.540 177.472 174.990 -0.096 0.000 1.262 131 C CA 0.653 59.623 59.018 -0.080 0.000 1.733 131 C CB -1.578 26.110 27.740 -0.087 0.000 2.010 131 C HN 0.598 nan 8.230 nan 0.000 0.483 132 L N 0.429 121.558 121.223 -0.157 0.000 2.012 132 L HA -0.206 4.135 4.340 0.002 0.000 0.210 132 L C 2.385 179.230 176.870 -0.043 0.000 1.073 132 L CA 1.721 56.492 54.840 -0.115 0.000 0.748 132 L CB -0.595 41.356 42.059 -0.179 0.000 0.891 132 L HN 0.359 nan 8.230 nan 0.000 0.431 133 I N -0.255 120.287 120.570 -0.047 0.000 2.208 133 I HA -0.325 3.847 4.170 0.002 0.000 0.245 133 I C 2.428 178.530 176.117 -0.026 0.000 1.097 133 I CA 1.496 62.781 61.300 -0.026 0.000 1.363 133 I CB -0.260 37.718 38.000 -0.037 0.000 1.051 133 I HN 0.208 nan 8.210 nan 0.000 0.413 134 I N 0.484 121.035 120.570 -0.032 0.000 2.286 134 I HA -0.278 3.894 4.170 0.002 0.000 0.248 134 I C 2.154 178.252 176.117 -0.032 0.000 1.115 134 I CA 1.435 62.712 61.300 -0.037 0.000 1.392 134 I CB -0.234 37.727 38.000 -0.065 0.000 1.065 134 I HN 0.220 nan 8.210 nan 0.000 0.418 135 L N 0.304 121.512 121.223 -0.024 0.000 2.610 135 L HA 0.093 4.434 4.340 0.002 0.000 0.232 135 L C 1.662 178.540 176.870 0.013 0.000 1.149 135 L CA 0.721 55.557 54.840 -0.006 0.000 0.872 135 L CB -0.376 41.688 42.059 0.007 0.000 0.992 135 L HN 0.543 nan 8.230 nan 0.000 0.447 136 G N -0.690 108.117 108.800 0.012 0.000 2.194 136 G HA2 -0.267 3.695 3.960 0.002 0.000 0.236 136 G HA3 -0.267 3.695 3.960 0.002 0.000 0.236 136 G C 0.273 175.202 174.900 0.048 0.000 0.987 136 G CA 0.118 45.232 45.100 0.023 0.000 0.635 136 G HN 0.395 nan 8.290 nan 0.000 0.520 137 D N 1.068 121.510 120.400 0.070 0.000 2.390 137 D HA 0.235 4.876 4.640 0.002 0.000 0.236 137 D C 1.080 177.456 176.300 0.128 0.000 1.189 137 D CA 0.928 55.002 54.000 0.123 0.000 0.887 137 D CB 0.527 41.433 40.800 0.176 0.000 1.198 137 D HN 0.394 nan 8.370 nan 0.000 0.444 138 D N 0.553 121.056 120.400 0.171 0.000 2.395 138 D HA 0.077 4.718 4.640 0.002 0.000 0.213 138 D C 0.872 177.365 176.300 0.323 0.000 1.110 138 D CA -0.341 53.787 54.000 0.214 0.000 0.835 138 D CB -0.010 40.907 40.800 0.196 0.000 0.965 138 D HN 0.250 nan 8.370 nan 0.000 0.505 139 L N 0.400 121.803 121.223 0.300 0.000 4.232 139 L HA -0.294 4.047 4.340 0.002 0.000 0.415 139 L C 1.735 178.730 176.870 0.209 0.000 1.168 139 L CA 1.039 56.069 54.840 0.317 0.000 0.966 139 L CB -2.970 39.308 42.059 0.365 0.000 2.052 139 L HN 0.354 nan 8.230 nan 0.000 0.887 140 S N -1.440 114.353 115.700 0.155 0.000 2.402 140 S HA -0.089 4.382 4.470 0.002 0.000 0.229 140 S C 1.691 176.275 174.600 -0.026 0.000 1.021 140 S CA 1.093 59.311 58.200 0.030 0.000 0.974 140 S CB -0.177 63.037 63.200 0.022 0.000 0.800 140 S HN 0.634 nan 8.310 nan 0.000 0.484 141 R N 0.793 121.265 120.500 -0.046 0.000 2.313 141 R HA 0.293 4.634 4.340 0.002 0.000 0.199 141 R C -0.532 175.796 176.300 0.047 0.000 0.958 141 R CA -0.037 55.943 56.100 -0.199 0.000 1.047 141 R CB 0.060 29.875 30.300 -0.807 0.000 0.955 141 R HN 0.256 nan 8.270 nan 0.000 0.481 142 V N 1.951 121.985 119.914 0.200 0.000 2.432 142 V HA 0.002 4.123 4.120 0.002 0.000 0.271 142 V C 0.261 176.381 176.094 0.044 0.000 1.046 142 V CA -0.565 61.867 62.300 0.222 0.000 0.945 142 V CB 1.309 33.284 31.823 0.253 0.000 0.992 142 V HN 0.112 nan 8.190 nan 0.000 0.471 143 D N 4.983 125.385 120.400 0.003 0.000 2.498 143 D HA 0.072 4.713 4.640 0.002 0.000 0.229 143 D C 1.287 177.562 176.300 -0.042 0.000 1.188 143 D CA 0.012 53.983 54.000 -0.048 0.000 1.028 143 D CB 0.432 41.191 40.800 -0.069 0.000 1.087 143 D HN 0.521 nan 8.370 nan 0.000 0.510 144 K N 1.330 121.691 120.400 -0.065 0.000 2.059 144 K HA -0.192 4.129 4.320 0.002 0.000 0.212 144 K C 1.537 178.097 176.600 -0.066 0.000 1.050 144 K CA 1.043 57.285 56.287 -0.075 0.000 0.927 144 K CB 0.259 32.664 32.500 -0.158 0.000 0.714 144 K HN 0.331 nan 8.250 nan 0.000 0.447 145 E N 0.357 120.513 120.200 -0.074 0.000 2.106 145 E HA -0.141 4.210 4.350 0.002 0.000 0.192 145 E C 2.038 178.611 176.600 -0.045 0.000 0.984 145 E CA 1.116 57.481 56.400 -0.059 0.000 0.806 145 E CB -0.184 29.480 29.700 -0.060 0.000 0.750 145 E HN 0.346 nan 8.360 nan 0.000 0.458 146 A N 0.787 123.579 122.820 -0.048 0.000 1.898 146 A HA -0.174 4.148 4.320 0.002 0.000 0.216 146 A C 2.640 180.204 177.584 -0.033 0.000 1.181 146 A CA 1.355 53.365 52.037 -0.046 0.000 0.620 146 A CB -0.922 18.042 19.000 -0.061 0.000 0.819 146 A HN 0.336 nan 8.150 nan 0.000 0.442 147 C N -0.673 118.615 119.300 -0.020 0.000 2.413 147 C HA -0.085 4.377 4.460 0.002 0.000 0.276 147 C C 2.657 177.643 174.990 -0.007 0.000 1.236 147 C CA 1.097 60.118 59.018 0.005 0.000 1.735 147 C CB -1.546 26.221 27.740 0.045 0.000 2.031 147 C HN 0.629 nan 8.230 nan 0.000 0.474 148 L N 0.994 122.205 121.223 -0.020 0.000 2.083 148 L HA -0.165 4.176 4.340 0.002 0.000 0.209 148 L C 2.862 179.731 176.870 -0.002 0.000 1.083 148 L CA 1.586 56.415 54.840 -0.019 0.000 0.752 148 L CB -0.771 41.270 42.059 -0.031 0.000 0.899 148 L HN 0.357 nan 8.230 nan 0.000 0.433 149 A N 0.331 123.145 122.820 -0.010 0.000 1.902 149 A HA -0.112 4.210 4.320 0.002 0.000 0.217 149 A C 2.419 180.003 177.584 -0.000 0.000 1.181 149 A CA 1.696 53.729 52.037 -0.007 0.000 0.623 149 A CB -1.209 17.780 19.000 -0.019 0.000 0.818 149 A HN 0.434 nan 8.150 nan 0.000 0.443 150 G N -0.426 108.371 108.800 -0.005 0.000 2.418 150 G HA2 -0.162 3.799 3.960 0.002 0.000 0.217 150 G HA3 -0.162 3.799 3.960 0.002 0.000 0.217 150 G C 1.586 176.498 174.900 0.020 0.000 1.158 150 G CA 0.907 46.006 45.100 -0.003 0.000 0.771 150 G HN 0.405 nan 8.290 nan 0.000 0.545 151 L N -0.111 121.131 121.223 0.032 0.000 1.989 151 L HA -0.099 4.243 4.340 0.002 0.000 0.211 151 L C 3.264 180.236 176.870 0.170 0.000 1.071 151 L CA 1.356 56.245 54.840 0.081 0.000 0.749 151 L CB -0.285 41.796 42.059 0.037 0.000 0.890 151 L HN 0.207 nan 8.230 nan 0.000 0.431 152 R N -0.482 120.087 120.500 0.114 0.000 2.119 152 R HA -0.223 4.119 4.340 0.002 0.000 0.246 152 R C 2.167 178.489 176.300 0.037 0.000 1.146 152 R CA 1.477 57.631 56.100 0.091 0.000 0.962 152 R CB -0.557 29.771 30.300 0.046 0.000 0.863 152 R HN 0.445 nan 8.270 nan 0.000 0.442 153 A N 0.829 123.664 122.820 0.025 0.000 2.070 153 A HA -0.088 4.234 4.320 0.002 0.000 0.220 153 A C 2.026 179.602 177.584 -0.013 0.000 1.159 153 A CA 1.050 53.084 52.037 -0.004 0.000 0.656 153 A CB -0.304 18.691 19.000 -0.008 0.000 0.800 153 A HN 0.203 nan 8.150 nan 0.000 0.453 154 L N -1.074 120.169 121.223 0.032 0.000 2.446 154 L HA 0.037 4.378 4.340 0.002 0.000 0.219 154 L C 1.428 178.238 176.870 -0.101 0.000 1.116 154 L CA 0.027 54.890 54.840 0.039 0.000 0.844 154 L CB -0.209 41.948 42.059 0.162 0.000 0.970 154 L HN 0.504 nan 8.230 nan 0.000 0.457 155 Q N 1.412 121.017 119.800 -0.325 0.000 2.332 155 Q HA 0.288 4.630 4.340 0.002 0.000 0.263 155 Q C -0.544 175.208 176.000 -0.414 0.000 0.979 155 Q CA -0.058 55.255 55.803 -0.817 0.000 0.885 155 Q CB 0.885 29.042 28.738 -0.968 0.000 1.218 155 Q HN 0.237 nan 8.270 nan 0.000 0.405 156 L N 2.310 123.299 121.223 -0.390 0.000 2.416 156 L HA 0.230 4.572 4.340 0.002 0.000 0.263 156 L C 1.239 178.006 176.870 -0.171 0.000 1.065 156 L CA -0.624 54.090 54.840 -0.209 0.000 0.798 156 L CB 0.465 42.432 42.059 -0.153 0.000 1.267 156 L HN 0.749 nan 8.230 nan 0.000 0.467 157 E N 1.070 121.213 120.200 -0.096 0.000 2.085 157 E HA -0.254 4.097 4.350 0.002 0.000 0.194 157 E C 1.279 177.855 176.600 -0.041 0.000 0.994 157 E CA 1.784 58.148 56.400 -0.060 0.000 0.801 157 E CB -0.051 29.631 29.700 -0.031 0.000 0.743 157 E HN 0.717 nan 8.360 nan 0.000 0.453 158 D N -1.523 118.864 120.400 -0.022 0.000 2.378 158 D HA 0.024 4.665 4.640 0.002 0.000 0.227 158 D C 1.345 177.681 176.300 0.060 0.000 1.012 158 D CA 0.961 54.994 54.000 0.055 0.000 0.905 158 D CB -0.097 40.788 40.800 0.141 0.000 0.895 158 D HN 0.342 nan 8.370 nan 0.000 0.532 159 G N -0.208 108.541 108.800 -0.085 0.000 2.241 159 G HA2 -0.302 3.660 3.960 0.002 0.000 0.244 159 G HA3 -0.302 3.660 3.960 0.002 0.000 0.244 159 G C 0.564 175.282 174.900 -0.302 0.000 0.998 159 G CA 0.482 45.510 45.100 -0.120 0.000 0.621 159 G HN 0.826 nan 8.290 nan 0.000 0.519 160 S N -0.211 115.178 115.700 -0.518 0.000 2.652 160 S HA 0.816 5.288 4.470 0.002 0.000 0.267 160 S C -0.150 174.196 174.600 -0.422 0.000 1.201 160 S CA -0.285 57.539 58.200 -0.627 0.000 0.996 160 S CB 1.226 63.755 63.200 -1.118 0.000 1.054 160 S HN 0.567 nan 8.310 nan 0.000 0.561 161 F N -1.398 118.471 119.950 -0.135 0.000 2.593 161 F HA 0.600 5.128 4.527 0.002 0.000 0.320 161 F C 0.325 176.183 175.800 0.095 0.000 1.060 161 F CA -1.036 56.958 58.000 -0.011 0.000 0.940 161 F CB 1.463 40.479 39.000 0.027 0.000 1.268 161 F HN 0.667 nan 8.300 nan 0.000 0.475 162 C N 0.381 119.786 119.300 0.175 0.000 2.354 162 C HA 0.712 5.173 4.460 0.002 0.000 0.381 162 C C 1.465 176.265 174.990 -0.316 0.000 1.240 162 C CA -0.007 59.037 59.018 0.045 0.000 2.089 162 C CB 1.377 29.108 27.740 -0.016 0.000 2.234 162 C HN 0.973 nan 8.230 nan 0.000 0.544 163 A N 0.259 122.675 122.820 -0.674 0.000 1.997 163 A HA 0.386 4.708 4.320 0.002 0.000 0.212 163 A C 0.585 177.768 177.584 -0.669 0.000 1.178 163 A CA 1.161 52.516 52.037 -1.137 0.000 0.698 163 A CB -0.191 17.869 19.000 -1.566 0.000 0.842 163 A HN 1.259 nan 8.150 nan 0.000 0.458 164 V N -4.792 114.908 119.914 -0.357 0.000 2.925 164 V HA 0.508 4.630 4.120 0.002 0.000 0.311 164 V C -2.355 173.691 176.094 -0.081 0.000 1.104 164 V CA -1.641 60.556 62.300 -0.172 0.000 0.954 164 V CB 1.825 33.604 31.823 -0.073 0.000 1.022 164 V HN 0.071 nan 8.190 nan 0.000 0.427 165 P HA -0.111 nan 4.420 nan 0.000 0.219 165 P C 0.954 178.252 177.300 -0.003 0.000 1.146 165 P CA 1.376 64.461 63.100 -0.024 0.000 0.808 165 P CB 0.414 32.102 31.700 -0.021 0.000 0.779 166 E N -0.129 120.082 120.200 0.019 0.000 2.338 166 E HA 0.192 4.544 4.350 0.002 0.000 0.197 166 E C 1.152 177.776 176.600 0.040 0.000 1.007 166 E CA 0.949 57.378 56.400 0.048 0.000 0.849 166 E CB -0.690 29.068 29.700 0.098 0.000 0.774 166 E HN 0.383 nan 8.360 nan 0.000 0.506 167 G N -0.635 108.176 108.800 0.020 0.000 2.640 167 G HA2 0.245 4.206 3.960 0.002 0.000 0.686 167 G HA3 0.245 4.206 3.960 0.002 0.000 0.686 167 G C -0.348 174.571 174.900 0.031 0.000 1.229 167 G CA -0.489 44.624 45.100 0.022 0.000 0.796 167 G HN 0.650 nan 8.290 nan 0.000 0.654 168 S N -0.530 115.195 115.700 0.042 0.000 2.660 168 S HA 0.714 5.186 4.470 0.002 0.000 0.264 168 S C -0.468 174.201 174.600 0.115 0.000 1.131 168 S CA 0.113 58.360 58.200 0.078 0.000 0.846 168 S CB 1.332 64.568 63.200 0.061 0.000 1.151 168 S HN 2.085 nan 8.310 nan 0.000 0.486 169 E N 1.369 121.670 120.200 0.169 0.000 2.392 169 E HA 0.298 4.649 4.350 0.002 0.000 0.256 169 E C -0.826 175.921 176.600 0.244 0.000 1.145 169 E CA -0.417 56.083 56.400 0.166 0.000 0.929 169 E CB 0.109 29.897 29.700 0.147 0.000 0.998 169 E HN 0.753 nan 8.360 nan 0.000 0.442 170 N N 0.778 119.576 118.700 0.163 0.000 2.295 170 N HA 0.368 5.109 4.740 0.002 0.000 0.293 170 N C -1.413 174.133 175.510 0.061 0.000 1.040 170 N CA -0.548 52.604 53.050 0.171 0.000 0.840 170 N CB 2.043 40.578 38.487 0.080 0.000 1.468 170 N HN 0.618 nan 8.380 nan 0.000 0.478 171 D N 0.043 120.434 120.400 -0.015 0.000 2.792 171 D HA 0.137 4.778 4.640 0.002 0.000 0.335 171 D C 0.647 176.925 176.300 -0.037 0.000 1.353 171 D CA -0.671 53.318 54.000 -0.019 0.000 0.839 171 D CB 0.488 41.245 40.800 -0.072 0.000 1.396 171 D HN 0.200 nan 8.370 nan 0.000 0.479 172 M N 0.089 119.747 119.600 0.098 0.000 2.195 172 M HA 0.016 4.497 4.480 0.002 0.000 0.260 172 M C 1.815 178.124 176.300 0.015 0.000 1.066 172 M CA 1.785 57.160 55.300 0.124 0.000 1.089 172 M CB -0.370 32.298 32.600 0.115 0.000 1.377 172 M HN 0.460 nan 8.290 nan 0.000 0.411 173 R N -1.296 119.108 120.500 -0.160 0.000 2.096 173 R HA -0.171 4.171 4.340 0.002 0.000 0.240 173 R C 2.066 178.382 176.300 0.027 0.000 1.139 173 R CA 2.070 58.074 56.100 -0.160 0.000 0.952 173 R CB -0.731 29.303 30.300 -0.443 0.000 0.854 173 R HN 0.432 nan 8.270 nan 0.000 0.436 174 F N -0.346 119.652 119.950 0.080 0.000 2.456 174 F HA -0.083 4.446 4.527 0.002 0.000 0.298 174 F C 2.245 177.986 175.800 -0.098 0.000 1.104 174 F CA -0.128 57.879 58.000 0.012 0.000 1.435 174 F CB 0.013 39.043 39.000 0.050 0.000 1.078 174 F HN -0.165 nan 8.300 nan 0.000 0.546 175 V N -0.382 119.622 119.914 0.150 0.000 2.358 175 V HA -0.320 3.802 4.120 0.002 0.000 0.246 175 V C 2.037 178.126 176.094 -0.008 0.000 1.047 175 V CA 1.747 64.096 62.300 0.082 0.000 1.035 175 V CB -0.730 31.215 31.823 0.203 0.000 0.658 175 V HN 0.387 nan 8.190 nan 0.000 0.452 176 Y N 0.234 120.501 120.300 -0.055 0.000 2.200 176 Y HA -0.256 4.296 4.550 0.003 0.000 0.290 176 Y C 2.517 178.285 175.900 -0.219 0.000 1.137 176 Y CA 1.623 59.665 58.100 -0.098 0.000 1.163 176 Y CB -0.701 37.734 38.460 -0.041 0.000 0.988 176 Y HN 0.242 nan 8.280 nan 0.000 0.518 177 C N 0.320 119.443 119.300 -0.295 0.000 2.432 177 C HA -0.118 4.343 4.460 0.002 0.000 0.277 177 C C 3.079 177.791 174.990 -0.464 0.000 1.249 177 C CA 1.220 59.959 59.018 -0.465 0.000 1.725 177 C CB -1.741 25.949 27.740 -0.084 0.000 2.028 177 C HN 0.736 nan 8.230 nan 0.000 0.477 178 A N 0.431 122.947 122.820 -0.506 0.000 1.883 178 A HA -0.176 4.146 4.320 0.002 0.000 0.217 178 A C 2.264 179.595 177.584 -0.421 0.000 1.186 178 A CA 2.394 54.054 52.037 -0.628 0.000 0.624 178 A CB -0.869 17.278 19.000 -1.422 0.000 0.822 178 A HN 0.560 nan 8.150 nan 0.000 0.444 179 S N -0.887 114.628 115.700 -0.308 0.000 2.359 179 S HA -0.214 4.257 4.470 0.002 0.000 0.224 179 S C 1.958 176.397 174.600 -0.268 0.000 1.035 179 S CA 1.492 59.632 58.200 -0.101 0.000 1.018 179 S CB -0.740 62.502 63.200 0.069 0.000 0.876 179 S HN 0.719 nan 8.310 nan 0.000 0.448 180 C N 1.268 120.295 119.300 -0.454 0.000 2.429 180 C HA 0.021 4.483 4.460 0.002 0.000 0.277 180 C C 2.444 177.321 174.990 -0.189 0.000 1.262 180 C CA 0.247 59.040 59.018 -0.375 0.000 1.733 180 C CB -1.379 25.937 27.740 -0.707 0.000 2.010 180 C HN 0.548 nan 8.230 nan 0.000 0.483 181 I N 0.032 120.458 120.570 -0.240 0.000 2.179 181 I HA -0.237 3.934 4.170 0.002 0.000 0.242 181 I C 2.588 178.554 176.117 -0.251 0.000 1.088 181 I CA 1.448 62.648 61.300 -0.167 0.000 1.357 181 I CB -0.565 37.338 38.000 -0.161 0.000 1.051 181 I HN 0.360 nan 8.210 nan 0.000 0.409 182 C N -0.190 118.828 119.300 -0.471 0.000 2.413 182 C HA -0.233 4.229 4.460 0.002 0.000 0.276 182 C C 2.809 177.287 174.990 -0.854 0.000 1.248 182 C CA 0.758 59.294 59.018 -0.803 0.000 1.742 182 C CB -1.032 25.866 27.740 -1.404 0.000 2.017 182 C HN 0.511 nan 8.230 nan 0.000 0.481 183 Y N 0.992 120.826 120.300 -0.776 0.000 2.145 183 Y HA -0.194 4.358 4.550 0.003 0.000 0.286 183 Y C 2.492 178.379 175.900 -0.021 0.000 1.145 183 Y CA 1.799 59.733 58.100 -0.276 0.000 1.148 183 Y CB -0.368 38.079 38.460 -0.022 0.000 0.981 183 Y HN 0.242 nan 8.280 nan 0.000 0.507 184 M N -0.620 119.065 119.600 0.141 0.000 2.132 184 M HA -0.187 4.295 4.480 0.002 0.000 0.263 184 M C 1.728 178.203 176.300 0.293 0.000 1.065 184 M CA 1.451 56.866 55.300 0.191 0.000 1.122 184 M CB -0.286 32.389 32.600 0.125 0.000 1.365 184 M HN 0.245 nan 8.290 nan 0.000 0.411 185 L N 0.125 121.426 121.223 0.129 0.000 2.599 185 L HA 0.009 4.351 4.340 0.002 0.000 0.230 185 L C 0.453 177.390 176.870 0.111 0.000 1.141 185 L CA -0.192 54.764 54.840 0.193 0.000 0.877 185 L CB -0.890 41.175 42.059 0.011 0.000 1.009 185 L HN 0.437 nan 8.230 nan 0.000 0.447 186 N N 2.148 120.780 118.700 -0.114 0.000 2.707 186 N HA -0.266 4.475 4.740 0.002 0.000 0.253 186 N C -0.523 174.871 175.510 -0.194 0.000 0.998 186 N CA 0.484 53.310 53.050 -0.374 0.000 0.751 186 N CB -0.951 36.994 38.487 -0.904 0.000 0.920 186 N HN 0.492 nan 8.380 nan 0.000 0.539 187 N N -0.034 118.513 118.700 -0.256 0.000 2.616 187 N HA 0.161 4.902 4.740 0.002 0.000 0.281 187 N C -0.768 174.596 175.510 -0.244 0.000 1.145 187 N CA -0.524 52.446 53.050 -0.133 0.000 0.919 187 N CB 0.029 38.465 38.487 -0.086 0.000 1.509 187 N HN 0.254 nan 8.380 nan 0.000 0.537 188 W N 2.050 123.354 121.300 0.008 0.000 3.400 188 W HA 0.165 4.826 4.660 0.002 0.000 0.347 188 W C 1.825 178.362 176.519 0.031 0.000 1.218 188 W CA -0.140 57.221 57.345 0.027 0.000 1.837 188 W CB 0.092 29.572 29.460 0.033 0.000 1.067 188 W HN 0.654 nan 8.180 nan 0.000 0.701 189 S N -1.361 114.417 115.700 0.130 0.000 2.555 189 S HA -0.004 4.468 4.470 0.002 0.000 0.230 189 S C 1.960 176.610 174.600 0.084 0.000 0.978 189 S CA 0.851 59.111 58.200 0.099 0.000 0.934 189 S CB -0.409 62.822 63.200 0.051 0.000 0.766 189 S HN 0.271 nan 8.310 nan 0.000 0.533 190 G N 1.390 110.227 108.800 0.062 0.000 2.598 190 G HA2 0.291 4.252 3.960 0.002 0.000 0.215 190 G HA3 0.291 4.252 3.960 0.002 0.000 0.215 190 G C 0.386 175.385 174.900 0.166 0.000 1.131 190 G CA 0.593 45.729 45.100 0.061 0.000 0.785 190 G HN 0.749 nan 8.290 nan 0.000 0.539 191 M N -2.233 117.501 119.600 0.223 0.000 2.569 191 M HA 0.479 4.960 4.480 0.002 0.000 0.279 191 M C -2.100 174.334 176.300 0.222 0.000 1.253 191 M CA -1.036 54.450 55.300 0.309 0.000 0.867 191 M CB 2.198 35.094 32.600 0.494 0.000 1.727 191 M HN -0.181 nan 8.290 nan 0.000 0.467 192 D N 2.359 122.853 120.400 0.156 0.000 2.494 192 D HA 0.224 4.866 4.640 0.002 0.000 0.217 192 D C 0.664 177.031 176.300 0.112 0.000 1.153 192 D CA -0.133 53.922 54.000 0.093 0.000 0.954 192 D CB 0.851 41.667 40.800 0.027 0.000 1.034 192 D HN 0.869 nan 8.370 nan 0.000 0.518 193 M N 3.332 123.010 119.600 0.129 0.000 2.144 193 M HA -0.232 4.250 4.480 0.002 0.000 0.260 193 M C 1.882 178.208 176.300 0.043 0.000 1.067 193 M CA 1.567 56.925 55.300 0.097 0.000 1.095 193 M CB 0.128 32.742 32.600 0.023 0.000 1.365 193 M HN 0.253 nan 8.290 nan 0.000 0.406 194 K N 0.171 120.585 120.400 0.023 0.000 2.057 194 K HA -0.204 4.117 4.320 0.002 0.000 0.207 194 K C 1.785 178.395 176.600 0.016 0.000 1.049 194 K CA 1.666 57.955 56.287 0.003 0.000 0.931 194 K CB -0.030 32.469 32.500 -0.002 0.000 0.714 194 K HN 0.373 nan 8.250 nan 0.000 0.440 195 K N -0.158 120.259 120.400 0.028 0.000 2.155 195 K HA -0.051 4.270 4.320 0.002 0.000 0.203 195 K C 2.117 178.761 176.600 0.073 0.000 1.052 195 K CA 0.938 57.244 56.287 0.032 0.000 0.948 195 K CB -0.027 32.473 32.500 0.000 0.000 0.728 195 K HN 0.203 nan 8.250 nan 0.000 0.448 196 A N 1.590 124.471 122.820 0.101 0.000 1.873 196 A HA -0.133 4.189 4.320 0.002 0.000 0.215 196 A C 2.089 179.768 177.584 0.159 0.000 1.186 196 A CA 1.174 53.317 52.037 0.176 0.000 0.616 196 A CB -0.540 18.613 19.000 0.255 0.000 0.823 196 A HN 0.148 nan 8.150 nan 0.000 0.442 197 I N -0.545 120.070 120.570 0.075 0.000 2.208 197 I HA -0.248 3.924 4.170 0.002 0.000 0.245 197 I C 2.860 178.975 176.117 -0.003 0.000 1.097 197 I CA 1.570 62.871 61.300 0.002 0.000 1.363 197 I CB -0.289 37.676 38.000 -0.059 0.000 1.051 197 I HN 0.438 nan 8.210 nan 0.000 0.413 198 S N 0.141 115.855 115.700 0.022 0.000 2.370 198 S HA -0.293 4.179 4.470 0.002 0.000 0.226 198 S C 2.177 176.806 174.600 0.049 0.000 1.033 198 S CA 1.565 59.775 58.200 0.017 0.000 1.011 198 S CB -0.491 62.726 63.200 0.030 0.000 0.852 198 S HN 0.493 nan 8.310 nan 0.000 0.457 199 Y N 1.772 122.071 120.300 -0.002 0.000 2.181 199 Y HA -0.069 4.483 4.550 0.002 0.000 0.288 199 Y C 1.965 177.875 175.900 0.018 0.000 1.146 199 Y CA 1.867 59.975 58.100 0.013 0.000 1.164 199 Y CB -0.382 38.100 38.460 0.037 0.000 0.982 199 Y HN 0.309 nan 8.280 nan 0.000 0.515 200 I N -0.281 120.362 120.570 0.123 0.000 2.226 200 I HA -0.337 3.835 4.170 0.002 0.000 0.245 200 I C 2.564 178.679 176.117 -0.005 0.000 1.100 200 I CA 1.468 62.802 61.300 0.057 0.000 1.374 200 I CB -0.458 37.590 38.000 0.082 0.000 1.057 200 I HN 0.185 nan 8.210 nan 0.000 0.413 201 R N 0.692 121.161 120.500 -0.053 0.000 2.073 201 R HA -0.100 4.241 4.340 0.002 0.000 0.234 201 R C 2.355 178.643 176.300 -0.019 0.000 1.134 201 R CA 1.224 57.311 56.100 -0.021 0.000 0.952 201 R CB -0.269 29.973 30.300 -0.097 0.000 0.850 201 R HN 0.332 nan 8.270 nan 0.000 0.433 202 R N 0.457 120.898 120.500 -0.098 0.000 2.293 202 R HA -0.063 4.278 4.340 0.002 0.000 0.219 202 R C 2.030 178.216 176.300 -0.190 0.000 1.091 202 R CA 1.354 57.374 56.100 -0.133 0.000 1.004 202 R CB -0.075 30.133 30.300 -0.153 0.000 0.865 202 R HN 0.250 nan 8.270 nan 0.000 0.469 203 S N -0.371 115.191 115.700 -0.229 0.000 2.548 203 S HA 0.031 4.502 4.470 0.002 0.000 0.215 203 S C 0.878 175.381 174.600 -0.162 0.000 0.976 203 S CA -0.320 57.737 58.200 -0.237 0.000 0.908 203 S CB 0.051 63.081 63.200 -0.284 0.000 0.781 203 S HN 0.177 nan 8.310 nan 0.000 0.519 204 M N 3.104 122.640 119.600 -0.105 0.000 2.246 204 M HA 0.237 4.718 4.480 0.002 0.000 0.350 204 M C 0.338 176.548 176.300 -0.151 0.000 1.406 204 M CA -0.017 55.200 55.300 -0.139 0.000 1.089 204 M CB 0.809 33.370 32.600 -0.065 0.000 1.782 204 M HN 0.341 nan 8.290 nan 0.000 0.457 205 S N 3.443 118.997 115.700 -0.243 0.000 2.681 205 S HA 0.201 4.673 4.470 0.002 0.000 0.270 205 S C 0.716 175.189 174.600 -0.213 0.000 1.209 205 S CA -0.494 57.563 58.200 -0.239 0.000 0.988 205 S CB 0.532 63.490 63.200 -0.404 0.000 1.006 205 S HN 0.734 nan 8.310 nan 0.000 0.558 206 Y N 0.701 120.964 120.300 -0.062 0.000 2.421 206 Y HA 0.074 4.625 4.550 0.003 0.000 0.292 206 Y C 1.461 177.351 175.900 -0.018 0.000 1.136 206 Y CA 1.265 59.345 58.100 -0.033 0.000 1.255 206 Y CB -0.701 37.749 38.460 -0.016 0.000 0.991 206 Y HN 0.639 nan 8.280 nan 0.000 0.552 207 D N -1.118 118.835 120.400 -0.745 0.000 2.339 207 D HA -0.042 4.600 4.640 0.002 0.000 0.217 207 D C 0.191 176.392 176.300 -0.166 0.000 1.050 207 D CA 0.440 54.231 54.000 -0.348 0.000 0.856 207 D CB -0.613 39.972 40.800 -0.359 0.000 0.922 207 D HN 0.432 nan 8.370 nan 0.000 0.518 208 N N -1.088 117.442 118.700 -0.282 0.000 2.984 208 N HA -0.096 4.645 4.740 0.002 0.000 0.227 208 N C 0.688 175.886 175.510 -0.520 0.000 0.903 208 N CA 1.180 54.063 53.050 -0.279 0.000 0.995 208 N CB -1.595 36.832 38.487 -0.101 0.000 1.065 208 N HN 0.487 nan 8.380 nan 0.000 0.585 209 G N -0.046 108.135 108.800 -1.030 0.000 2.557 209 G HA2 0.602 4.563 3.960 0.002 0.000 0.292 209 G HA3 0.602 4.563 3.960 0.002 0.000 0.292 209 G C -0.255 174.134 174.900 -0.852 0.000 1.237 209 G CA -0.356 43.814 45.100 -1.550 0.000 0.978 209 G HN 0.030 nan 8.290 nan 0.000 0.498 210 L N 0.235 121.039 121.223 -0.698 0.000 2.317 210 L HA 0.700 5.041 4.340 0.002 0.000 0.281 210 L C 0.776 177.459 176.870 -0.310 0.000 1.024 210 L CA -0.638 53.976 54.840 -0.377 0.000 0.810 210 L CB 1.210 43.134 42.059 -0.226 0.000 1.240 210 L HN 0.711 nan 8.230 nan 0.000 0.427 211 A N 1.953 124.642 122.820 -0.218 0.000 2.284 211 A HA 0.517 4.838 4.320 0.002 0.000 0.317 211 A C 0.739 178.266 177.584 -0.094 0.000 1.120 211 A CA -0.347 51.605 52.037 -0.143 0.000 0.900 211 A CB 0.685 19.609 19.000 -0.127 0.000 1.319 211 A HN 0.695 nan 8.150 nan 0.000 0.494 212 Q N -0.623 119.138 119.800 -0.066 0.000 2.291 212 Q HA 0.086 4.427 4.340 0.002 0.000 0.205 212 Q C 0.725 176.753 176.000 0.045 0.000 0.970 212 Q CA 1.367 57.154 55.803 -0.026 0.000 0.876 212 Q CB 0.016 28.719 28.738 -0.059 0.000 0.935 212 Q HN 0.898 nan 8.270 nan 0.000 0.455 213 G N -1.309 107.469 108.800 -0.037 0.000 2.576 213 G HA2 0.506 4.468 3.960 0.002 0.000 0.290 213 G HA3 0.506 4.468 3.960 0.002 0.000 0.290 213 G C -1.528 173.279 174.900 -0.155 0.000 1.442 213 G CA -0.388 44.652 45.100 -0.100 0.000 0.792 213 G HN 0.139 nan 8.290 nan 0.000 0.491 214 A N -0.746 121.948 122.820 -0.211 0.000 2.587 214 A HA 0.509 4.831 4.320 0.002 0.000 0.235 214 A C 1.802 179.350 177.584 -0.061 0.000 1.044 214 A CA 1.868 53.823 52.037 -0.137 0.000 0.754 214 A CB -0.343 18.586 19.000 -0.118 0.000 0.968 214 A HN 2.861 nan 8.150 nan 0.000 0.509 215 G N 0.803 109.579 108.800 -0.040 0.000 2.304 215 G HA2 -0.201 3.760 3.960 0.002 0.000 0.252 215 G HA3 -0.201 3.760 3.960 0.002 0.000 0.252 215 G C 0.208 175.113 174.900 0.008 0.000 1.014 215 G CA 0.427 45.526 45.100 -0.001 0.000 0.619 215 G HN 0.799 nan 8.290 nan 0.000 0.525 216 L N 1.326 122.539 121.223 -0.016 0.000 2.476 216 L HA 0.464 4.806 4.340 0.002 0.000 0.255 216 L C 1.076 177.936 176.870 -0.018 0.000 1.218 216 L CA -0.517 54.317 54.840 -0.010 0.000 0.819 216 L CB 0.541 42.586 42.059 -0.024 0.000 1.119 216 L HN 0.491 nan 8.230 nan 0.000 0.485 217 E N 0.386 120.587 120.200 0.001 0.000 2.366 217 E HA 0.103 4.454 4.350 0.002 0.000 0.266 217 E C -0.322 176.257 176.600 -0.034 0.000 1.015 217 E CA -0.408 55.994 56.400 0.004 0.000 0.906 217 E CB 0.655 30.383 29.700 0.047 0.000 0.979 217 E HN 0.630 nan 8.360 nan 0.000 0.443 218 S N 4.547 120.173 115.700 -0.124 0.000 2.568 218 S HA 0.051 4.523 4.470 0.002 0.000 0.282 218 S C -0.168 174.409 174.600 -0.039 0.000 1.338 218 S CA -0.450 57.595 58.200 -0.258 0.000 1.045 218 S CB 0.883 63.692 63.200 -0.651 0.000 0.873 218 S HN 0.679 nan 8.310 nan 0.000 0.516 219 H N 0.434 119.389 119.070 -0.191 0.000 3.012 219 H HA 0.368 4.925 4.556 0.002 0.000 0.367 219 H C 1.134 176.505 175.328 0.073 0.000 1.211 219 H CA -0.044 56.013 56.048 0.015 0.000 1.139 219 H CB 1.591 31.331 29.762 -0.037 0.000 1.838 219 H HN 0.716 nan 8.280 nan 0.000 0.550 220 G N 1.448 110.097 108.800 -0.252 0.000 2.442 220 G HA2 -0.241 3.720 3.960 0.002 0.000 0.219 220 G HA3 -0.241 3.720 3.960 0.002 0.000 0.219 220 G C 1.444 176.409 174.900 0.107 0.000 1.141 220 G CA 0.854 45.969 45.100 0.026 0.000 0.763 220 G HN 0.652 nan 8.290 nan 0.000 0.554 221 G N 0.938 109.827 108.800 0.148 0.000 2.404 221 G HA2 -0.163 3.798 3.960 0.002 0.000 0.215 221 G HA3 -0.163 3.798 3.960 0.002 0.000 0.215 221 G C 2.232 177.078 174.900 -0.089 0.000 1.174 221 G CA 1.863 46.832 45.100 -0.218 0.000 0.780 221 G HN 0.668 nan 8.290 nan 0.000 0.537 222 S N -0.048 115.671 115.700 0.031 0.000 2.423 222 S HA -0.077 4.395 4.470 0.002 0.000 0.231 222 S C 2.203 176.781 174.600 -0.036 0.000 1.014 222 S CA 1.841 60.022 58.200 -0.032 0.000 0.965 222 S CB -0.592 62.583 63.200 -0.043 0.000 0.785 222 S HN 0.251 nan 8.310 nan 0.000 0.495 223 T N 1.901 116.435 114.554 -0.034 0.000 2.777 223 T HA 0.043 4.394 4.350 0.002 0.000 0.266 223 T C 1.249 175.947 174.700 -0.002 0.000 1.040 223 T CA 1.308 63.367 62.100 -0.069 0.000 1.141 223 T CB -0.518 68.289 68.868 -0.101 0.000 0.868 223 T HN 0.504 nan 8.240 nan 0.000 0.444 224 F N 1.544 121.463 119.950 -0.052 0.000 2.102 224 F HA -0.151 4.377 4.527 0.003 0.000 0.298 224 F C 2.402 178.141 175.800 -0.103 0.000 1.105 224 F CA 0.720 58.690 58.000 -0.051 0.000 1.239 224 F CB -0.870 38.142 39.000 0.021 0.000 0.991 224 F HN 0.147 nan 8.300 nan 0.000 0.474 225 C N 1.038 120.195 119.300 -0.238 0.000 2.413 225 C HA -0.114 4.348 4.460 0.002 0.000 0.276 225 C C 3.098 177.993 174.990 -0.157 0.000 1.248 225 C CA 1.260 60.087 59.018 -0.319 0.000 1.742 225 C CB -1.986 25.709 27.740 -0.075 0.000 2.017 225 C HN 0.750 nan 8.230 nan 0.000 0.481 226 G N 0.679 109.433 108.800 -0.078 0.000 2.434 226 G HA2 -0.120 3.842 3.960 0.002 0.000 0.214 226 G HA3 -0.120 3.842 3.960 0.002 0.000 0.214 226 G C 1.377 176.277 174.900 -0.000 0.000 1.202 226 G CA 0.787 45.893 45.100 0.011 0.000 0.788 226 G HN 0.354 nan 8.290 nan 0.000 0.539 227 I N 2.071 122.609 120.570 -0.053 0.000 2.179 227 I HA -0.149 4.022 4.170 0.002 0.000 0.242 227 I C 3.290 179.350 176.117 -0.095 0.000 1.088 227 I CA 1.283 62.565 61.300 -0.030 0.000 1.357 227 I CB -1.407 36.567 38.000 -0.044 0.000 1.051 227 I HN 0.263 nan 8.210 nan 0.000 0.409 228 A N 0.290 122.930 122.820 -0.300 0.000 1.933 228 A HA -0.180 4.142 4.320 0.002 0.000 0.218 228 A C 2.602 180.185 177.584 -0.002 0.000 1.175 228 A CA 2.102 53.986 52.037 -0.256 0.000 0.628 228 A CB -0.749 17.808 19.000 -0.737 0.000 0.814 228 A HN 0.427 nan 8.150 nan 0.000 0.444 229 S N -0.076 115.656 115.700 0.053 0.000 2.356 229 S HA -0.118 4.354 4.470 0.002 0.000 0.223 229 S C 1.843 176.491 174.600 0.081 0.000 1.032 229 S CA 1.515 59.791 58.200 0.127 0.000 1.005 229 S CB -0.492 62.794 63.200 0.144 0.000 0.867 229 S HN 0.522 nan 8.310 nan 0.000 0.449 230 L N 0.690 121.938 121.223 0.041 0.000 2.042 230 L HA -0.187 4.154 4.340 0.002 0.000 0.210 230 L C 2.616 179.490 176.870 0.006 0.000 1.076 230 L CA 0.942 55.785 54.840 0.006 0.000 0.749 230 L CB -0.776 41.292 42.059 0.015 0.000 0.893 230 L HN 0.432 nan 8.230 nan 0.000 0.432 231 C N -0.595 118.722 119.300 0.029 0.000 2.429 231 C HA -0.147 4.315 4.460 0.002 0.000 0.277 231 C C 2.653 177.682 174.990 0.065 0.000 1.262 231 C CA 0.155 59.198 59.018 0.041 0.000 1.733 231 C CB -0.738 27.026 27.740 0.040 0.000 2.010 231 C HN 0.396 nan 8.230 nan 0.000 0.483 232 L N 0.286 121.556 121.223 0.078 0.000 2.127 232 L HA -0.099 4.242 4.340 0.002 0.000 0.211 232 L C 2.322 179.350 176.870 0.263 0.000 1.089 232 L CA 1.831 56.755 54.840 0.141 0.000 0.757 232 L CB -0.686 41.465 42.059 0.153 0.000 0.899 232 L HN 0.380 nan 8.230 nan 0.000 0.434 233 M N -1.665 117.923 119.600 -0.020 0.000 2.558 233 M HA 0.196 4.678 4.480 0.002 0.000 0.255 233 M C 1.190 177.349 176.300 -0.236 0.000 1.113 233 M CA 0.717 55.753 55.300 -0.440 0.000 1.097 233 M CB -0.126 32.190 32.600 -0.474 0.000 1.426 233 M HN 0.318 nan 8.290 nan 0.000 0.488 234 G N 2.282 111.047 108.800 -0.059 0.000 2.298 234 G HA2 -0.258 3.704 3.960 0.002 0.000 0.287 234 G HA3 -0.258 3.704 3.960 0.002 0.000 0.287 234 G C 0.198 175.062 174.900 -0.059 0.000 1.075 234 G CA 0.250 45.337 45.100 -0.022 0.000 0.960 234 G HN 0.558 nan 8.290 nan 0.000 0.502 235 K N -0.703 119.657 120.400 -0.066 0.000 2.644 235 K HA 0.330 4.652 4.320 0.002 0.000 0.198 235 K C 1.956 178.524 176.600 -0.053 0.000 1.113 235 K CA -0.512 55.730 56.287 -0.075 0.000 1.073 235 K CB 0.399 32.827 32.500 -0.121 0.000 0.811 235 K HN 0.320 nan 8.250 nan 0.000 0.508 236 L N 1.568 122.788 121.223 -0.006 0.000 1.956 236 L HA -0.240 4.101 4.340 0.002 0.000 0.216 236 L C 1.894 178.798 176.870 0.058 0.000 1.073 236 L CA 1.843 56.712 54.840 0.049 0.000 0.762 236 L CB 0.004 42.110 42.059 0.079 0.000 0.889 236 L HN 0.333 nan 8.230 nan 0.000 0.433 237 E N -0.311 119.916 120.200 0.045 0.000 2.118 237 E HA -0.322 4.029 4.350 0.002 0.000 0.195 237 E C 1.890 178.501 176.600 0.019 0.000 0.992 237 E CA 1.645 58.073 56.400 0.046 0.000 0.804 237 E CB -0.252 29.467 29.700 0.033 0.000 0.741 237 E HN 0.609 nan 8.360 nan 0.000 0.458 238 E N 0.710 120.899 120.200 -0.018 0.000 2.107 238 E HA -0.112 4.239 4.350 0.002 0.000 0.191 238 E C 2.058 178.608 176.600 -0.083 0.000 0.982 238 E CA 0.804 57.178 56.400 -0.043 0.000 0.809 238 E CB 0.320 29.985 29.700 -0.057 0.000 0.756 238 E HN 0.025 nan 8.360 nan 0.000 0.459 239 V N 0.272 120.097 119.914 -0.147 0.000 2.535 239 V HA 0.000 4.122 4.120 0.002 0.000 0.246 239 V C 0.719 176.582 176.094 -0.385 0.000 1.045 239 V CA 0.970 63.076 62.300 -0.324 0.000 1.058 239 V CB -0.167 31.352 31.823 -0.507 0.000 0.689 239 V HN 0.109 nan 8.190 nan 0.000 0.461 240 F N 0.496 120.437 119.950 -0.014 0.000 2.469 240 F HA 0.473 5.002 4.527 0.003 0.000 0.332 240 F C 0.875 176.671 175.800 -0.006 0.000 1.103 240 F CA -0.752 57.240 58.000 -0.013 0.000 0.979 240 F CB 1.583 40.574 39.000 -0.015 0.000 1.137 240 F HN -0.014 nan 8.300 nan 0.000 0.463 241 S N 1.174 117.002 115.700 0.214 0.000 2.608 241 S HA 0.047 4.519 4.470 0.002 0.000 0.261 241 S C 1.120 175.778 174.600 0.097 0.000 1.314 241 S CA -0.421 57.847 58.200 0.113 0.000 0.992 241 S CB 1.176 64.426 63.200 0.083 0.000 0.935 241 S HN 0.878 nan 8.310 nan 0.000 0.564 242 E N 0.754 120.992 120.200 0.063 0.000 2.110 242 E HA -0.215 4.136 4.350 0.002 0.000 0.193 242 E C 1.953 178.573 176.600 0.034 0.000 0.988 242 E CA 1.229 57.657 56.400 0.047 0.000 0.804 242 E CB -0.166 29.555 29.700 0.036 0.000 0.745 242 E HN 0.750 nan 8.360 nan 0.000 0.458 243 K N 0.403 120.822 120.400 0.031 0.000 2.057 243 K HA -0.188 4.133 4.320 0.002 0.000 0.206 243 K C 2.006 178.609 176.600 0.005 0.000 1.050 243 K CA 1.597 57.895 56.287 0.018 0.000 0.935 243 K CB 0.031 32.543 32.500 0.020 0.000 0.715 243 K HN 0.146 nan 8.250 nan 0.000 0.439 244 E N 0.600 120.809 120.200 0.015 0.000 2.051 244 E HA -0.187 4.165 4.350 0.002 0.000 0.192 244 E C 2.081 178.606 176.600 -0.124 0.000 0.991 244 E CA 1.269 57.645 56.400 -0.040 0.000 0.799 244 E CB -0.066 29.666 29.700 0.053 0.000 0.748 244 E HN 0.259 nan 8.360 nan 0.000 0.449 245 L N 0.893 122.080 121.223 -0.059 0.000 2.131 245 L HA -0.220 4.121 4.340 0.002 0.000 0.210 245 L C 1.995 178.841 176.870 -0.040 0.000 1.092 245 L CA 1.139 55.938 54.840 -0.069 0.000 0.759 245 L CB -0.436 41.635 42.059 0.020 0.000 0.903 245 L HN 0.198 nan 8.230 nan 0.000 0.435 246 N N -0.422 118.269 118.700 -0.015 0.000 2.120 246 N HA -0.158 4.584 4.740 0.002 0.000 0.188 246 N C 1.930 177.439 175.510 -0.003 0.000 1.024 246 N CA 0.851 53.901 53.050 0.000 0.000 0.852 246 N CB -0.001 38.489 38.487 0.004 0.000 1.003 246 N HN 0.265 nan 8.380 nan 0.000 0.424 247 R N 0.675 121.161 120.500 -0.024 0.000 2.081 247 R HA -0.023 4.319 4.340 0.002 0.000 0.235 247 R C 2.145 178.443 176.300 -0.003 0.000 1.131 247 R CA 0.957 57.048 56.100 -0.015 0.000 0.960 247 R CB -0.287 29.989 30.300 -0.040 0.000 0.856 247 R HN 0.273 nan 8.270 nan 0.000 0.436 248 I N 1.081 121.605 120.570 -0.077 0.000 2.179 248 I HA -0.295 3.876 4.170 0.002 0.000 0.242 248 I C 2.094 178.254 176.117 0.072 0.000 1.088 248 I CA 1.471 62.731 61.300 -0.068 0.000 1.357 248 I CB -0.276 37.586 38.000 -0.231 0.000 1.051 248 I HN 0.132 nan 8.210 nan 0.000 0.409 249 K N 0.414 120.842 120.400 0.047 0.000 2.063 249 K HA -0.257 4.064 4.320 0.002 0.000 0.208 249 K C 2.248 178.911 176.600 0.105 0.000 1.048 249 K CA 1.555 57.894 56.287 0.088 0.000 0.928 249 K CB -0.269 32.274 32.500 0.072 0.000 0.713 249 K HN 0.083 nan 8.250 nan 0.000 0.442 250 R N 0.563 121.113 120.500 0.083 0.000 2.073 250 R HA -0.184 4.157 4.340 0.002 0.000 0.234 250 R C 1.872 178.225 176.300 0.088 0.000 1.134 250 R CA 1.691 57.831 56.100 0.066 0.000 0.952 250 R CB -0.782 29.547 30.300 0.049 0.000 0.850 250 R HN 0.410 nan 8.270 nan 0.000 0.433 251 W N -0.175 121.102 121.300 -0.037 0.000 2.358 251 W HA -0.225 4.437 4.660 0.002 0.000 0.303 251 W C 1.992 178.506 176.519 -0.009 0.000 1.208 251 W CA 1.693 59.013 57.345 -0.042 0.000 1.274 251 W CB -0.501 28.910 29.460 -0.082 0.000 1.138 251 W HN 0.160 nan 8.180 nan 0.000 0.515 252 C N -0.225 119.258 119.300 0.306 0.000 2.462 252 C HA -0.186 4.275 4.460 0.002 0.000 0.278 252 C C 2.666 177.690 174.990 0.057 0.000 1.253 252 C CA 1.175 60.315 59.018 0.204 0.000 1.713 252 C CB -1.512 26.387 27.740 0.265 0.000 2.049 252 C HN 0.440 nan 8.230 nan 0.000 0.477 253 I N 0.591 121.208 120.570 0.077 0.000 2.756 253 I HA -0.149 4.023 4.170 0.002 0.000 0.262 253 I C 1.962 178.046 176.117 -0.054 0.000 1.225 253 I CA 1.099 62.440 61.300 0.068 0.000 1.472 253 I CB -0.069 37.979 38.000 0.080 0.000 1.094 253 I HN 0.288 nan 8.210 nan 0.000 0.454 254 M N -0.264 119.250 119.600 -0.144 0.000 2.619 254 M HA -0.007 4.475 4.480 0.002 0.000 0.251 254 M C 1.682 177.806 176.300 -0.294 0.000 1.106 254 M CA 0.797 55.967 55.300 -0.216 0.000 1.086 254 M CB -0.807 31.648 32.600 -0.241 0.000 1.465 254 M HN 0.160 nan 8.290 nan 0.000 0.506 255 R N 0.341 120.670 120.500 -0.286 0.000 2.235 255 R HA 0.035 4.376 4.340 0.002 0.000 0.213 255 R C 0.899 176.891 176.300 -0.514 0.000 1.059 255 R CA 0.202 56.130 56.100 -0.287 0.000 0.997 255 R CB -0.578 29.689 30.300 -0.054 0.000 0.884 255 R HN 0.538 nan 8.270 nan 0.000 0.462 256 Q N 1.132 120.609 119.800 -0.540 0.000 2.288 256 Q HA -0.002 4.340 4.340 0.002 0.000 0.258 256 Q C 0.201 175.841 176.000 -0.599 0.000 0.957 256 Q CA 0.035 55.308 55.803 -0.883 0.000 0.919 256 Q CB 0.892 29.076 28.738 -0.925 0.000 1.185 256 Q HN -0.010 nan 8.270 nan 0.000 0.408 257 Q N 2.643 122.096 119.800 -0.577 0.000 2.471 257 Q HA 0.110 4.451 4.340 0.002 0.000 0.241 257 Q C 0.190 176.017 176.000 -0.289 0.000 0.886 257 Q CA 1.325 56.889 55.803 -0.397 0.000 0.953 257 Q CB 0.643 29.145 28.738 -0.394 0.000 1.108 257 Q HN 0.873 nan 8.270 nan 0.000 0.575 258 N N -1.136 117.376 118.700 -0.313 0.000 2.532 258 N HA 0.029 4.770 4.740 0.002 0.000 0.324 258 N C 0.798 176.196 175.510 -0.186 0.000 0.609 258 N CA 0.434 53.380 53.050 -0.172 0.000 1.102 258 N CB -0.292 38.152 38.487 -0.071 0.000 2.059 258 N HN 0.093 nan 8.380 nan 0.000 1.570 259 G N -0.987 107.642 108.800 -0.284 0.000 2.695 259 G HA2 0.575 4.537 3.960 0.002 0.000 0.213 259 G HA3 0.575 4.537 3.960 0.002 0.000 0.213 259 G C -1.425 173.312 174.900 -0.271 0.000 1.406 259 G CA -0.262 44.731 45.100 -0.179 0.000 1.049 259 G HN 0.130 nan 8.290 nan 0.000 0.573 260 Y N -0.756 119.479 120.300 -0.107 0.000 2.499 260 Y HA 0.448 4.999 4.550 0.003 0.000 0.347 260 Y C 0.521 176.455 175.900 0.056 0.000 0.987 260 Y CA -0.897 57.169 58.100 -0.056 0.000 1.044 260 Y CB 1.792 40.290 38.460 0.062 0.000 1.245 260 Y HN 0.740 nan 8.280 nan 0.000 0.461 261 H N -1.510 117.557 119.070 -0.006 0.000 2.615 261 H HA 0.646 5.203 4.556 0.002 0.000 0.346 261 H C 0.387 175.345 175.328 -0.617 0.000 1.200 261 H CA -0.925 55.027 56.048 -0.161 0.000 1.264 261 H CB 2.057 31.731 29.762 -0.147 0.000 1.699 261 H HN 0.818 nan 8.280 nan 0.000 0.567 262 G N 0.187 108.351 108.800 -1.061 0.000 2.838 262 G HA2 0.141 4.102 3.960 0.002 0.000 0.210 262 G HA3 0.141 4.102 3.960 0.002 0.000 0.210 262 G C 0.334 174.756 174.900 -0.797 0.000 1.153 262 G CA -0.257 43.948 45.100 -1.491 0.000 0.778 262 G HN 0.552 nan 8.290 nan 0.000 0.539 263 R N -0.671 119.398 120.500 -0.719 0.000 2.643 263 R HA 0.316 4.658 4.340 0.002 0.000 0.269 263 R C -3.145 172.655 176.300 -0.832 0.000 1.037 263 R CA -1.808 53.999 56.100 -0.488 0.000 0.894 263 R CB 1.840 32.028 30.300 -0.187 0.000 1.238 263 R HN -0.144 nan 8.270 nan 0.000 0.459 264 P HA -0.024 nan 4.420 nan 0.000 0.265 264 P C -0.675 176.476 177.300 -0.247 0.000 1.187 264 P CA 0.511 63.408 63.100 -0.338 0.000 0.766 264 P CB 0.253 31.878 31.700 -0.125 0.000 0.820 265 N N -1.131 117.509 118.700 -0.099 0.000 2.741 265 N HA -0.178 4.563 4.740 0.002 0.000 0.250 265 N C -0.417 175.064 175.510 -0.048 0.000 1.115 265 N CA 0.828 53.857 53.050 -0.035 0.000 0.724 265 N CB -0.627 37.846 38.487 -0.023 0.000 1.090 265 N HN 0.377 nan 8.380 nan 0.000 0.558 266 K N 0.298 120.639 120.400 -0.099 0.000 2.318 266 K HA 0.456 4.777 4.320 0.002 0.000 0.249 266 K C -2.440 174.220 176.600 0.100 0.000 0.942 266 K CA -1.682 54.588 56.287 -0.028 0.000 0.808 266 K CB 1.755 34.195 32.500 -0.099 0.000 1.189 266 K HN -0.125 nan 8.250 nan 0.000 0.428 267 P HA -0.006 nan 4.420 nan 0.000 0.269 267 P C 0.243 177.685 177.300 0.237 0.000 1.215 267 P CA -0.395 62.770 63.100 0.107 0.000 0.780 267 P CB 0.435 32.130 31.700 -0.009 0.000 0.898 268 V N -1.055 118.940 119.914 0.135 0.000 3.096 268 V HA 0.378 4.499 4.120 0.002 0.000 0.306 268 V C 0.123 176.467 176.094 0.417 0.000 1.088 268 V CA 0.009 62.391 62.300 0.138 0.000 1.129 268 V CB 0.524 32.172 31.823 -0.291 0.000 1.014 268 V HN 0.619 nan 8.190 nan 0.000 0.486 269 D N 1.196 121.879 120.400 0.472 0.000 2.970 269 D HA 0.281 4.922 4.640 0.002 0.000 0.230 269 D C 0.812 177.388 176.300 0.460 0.000 1.276 269 D CA -0.069 54.254 54.000 0.539 0.000 0.910 269 D CB 2.338 43.460 40.800 0.535 0.000 1.590 269 D HN 0.669 nan 8.370 nan 0.000 0.551 270 T N 1.873 116.746 114.554 0.532 0.000 2.653 270 T HA -0.238 4.113 4.350 0.002 0.000 0.267 270 T C 2.024 176.806 174.700 0.136 0.000 1.037 270 T CA 2.380 64.719 62.100 0.399 0.000 1.159 270 T CB -0.608 68.444 68.868 0.307 0.000 0.859 270 T HN 0.780 nan 8.240 nan 0.000 0.449 271 C N 0.386 119.689 119.300 0.004 0.000 2.409 271 C HA -0.049 4.413 4.460 0.002 0.000 0.284 271 C C 2.212 176.960 174.990 -0.403 0.000 1.354 271 C CA -0.171 58.645 59.018 -0.337 0.000 1.787 271 C CB -2.074 25.330 27.740 -0.560 0.000 1.900 271 C HN 0.500 nan 8.230 nan 0.000 0.520 272 Y N 1.925 122.286 120.300 0.102 0.000 2.509 272 Y HA 0.016 4.567 4.550 0.002 0.000 0.293 272 Y C 2.839 178.667 175.900 -0.121 0.000 1.133 272 Y CA 1.308 59.482 58.100 0.123 0.000 1.283 272 Y CB -0.711 37.874 38.460 0.209 0.000 1.001 272 Y HN 0.348 nan 8.280 nan 0.000 0.555 273 S N -0.397 115.291 115.700 -0.019 0.000 2.442 273 S HA -0.174 4.298 4.470 0.002 0.000 0.236 273 S C 1.685 176.067 174.600 -0.363 0.000 1.007 273 S CA 1.247 59.317 58.200 -0.216 0.000 0.965 273 S CB -0.394 62.795 63.200 -0.017 0.000 0.773 273 S HN 0.548 nan 8.310 nan 0.000 0.504 274 F N 0.044 119.711 119.950 -0.471 0.000 2.315 274 F HA 0.203 4.731 4.527 0.002 0.000 0.284 274 F C 1.616 177.098 175.800 -0.531 0.000 1.049 274 F CA 0.043 57.702 58.000 -0.569 0.000 1.323 274 F CB -0.676 37.930 39.000 -0.657 0.000 1.113 274 F HN 0.160 nan 8.300 nan 0.000 0.544 275 W N 0.510 121.464 121.300 -0.578 0.000 2.301 275 W HA -0.259 4.403 4.660 0.002 0.000 0.325 275 W C 2.329 178.627 176.519 -0.368 0.000 1.250 275 W CA 1.614 58.604 57.345 -0.591 0.000 1.261 275 W CB -0.932 28.402 29.460 -0.210 0.000 1.157 275 W HN -0.152 nan 8.180 nan 0.000 0.473 276 V N 0.193 120.108 119.914 0.002 0.000 2.407 276 V HA -0.085 4.036 4.120 0.002 0.000 0.245 276 V C 2.377 178.318 176.094 -0.256 0.000 1.041 276 V CA 1.894 64.167 62.300 -0.046 0.000 1.040 276 V CB -1.584 30.241 31.823 0.004 0.000 0.671 276 V HN 0.381 nan 8.190 nan 0.000 0.455 277 G N 0.207 108.669 108.800 -0.563 0.000 2.446 277 G HA2 -0.265 3.696 3.960 0.002 0.000 0.217 277 G HA3 -0.265 3.696 3.960 0.002 0.000 0.217 277 G C 1.759 176.249 174.900 -0.682 0.000 1.168 277 G CA 1.195 45.891 45.100 -0.673 0.000 0.771 277 G HN 0.600 nan 8.290 nan 0.000 0.551 278 A N 0.022 122.396 122.820 -0.744 0.000 1.972 278 A HA 0.004 4.326 4.320 0.002 0.000 0.219 278 A C 2.521 179.990 177.584 -0.192 0.000 1.169 278 A CA 2.422 54.103 52.037 -0.595 0.000 0.635 278 A CB -0.765 17.584 19.000 -1.085 0.000 0.810 278 A HN 0.324 nan 8.150 nan 0.000 0.446 279 T N 0.343 114.857 114.554 -0.067 0.000 2.812 279 T HA -0.037 4.314 4.350 0.002 0.000 0.264 279 T C 1.804 176.526 174.700 0.037 0.000 1.042 279 T CA 1.332 63.463 62.100 0.052 0.000 1.140 279 T CB -0.348 68.592 68.868 0.120 0.000 0.870 279 T HN 0.368 nan 8.240 nan 0.000 0.445 280 L N 0.752 122.000 121.223 0.042 0.000 2.042 280 L HA -0.126 4.216 4.340 0.002 0.000 0.210 280 L C 2.623 179.574 176.870 0.135 0.000 1.076 280 L CA 1.217 56.144 54.840 0.145 0.000 0.749 280 L CB -0.419 41.819 42.059 0.299 0.000 0.893 280 L HN 0.174 nan 8.230 nan 0.000 0.432 281 K N 0.863 121.278 120.400 0.024 0.000 2.026 281 K HA -0.158 4.163 4.320 0.002 0.000 0.208 281 K C 1.939 178.554 176.600 0.025 0.000 1.048 281 K CA 1.590 57.889 56.287 0.020 0.000 0.929 281 K CB -0.409 32.001 32.500 -0.150 0.000 0.713 281 K HN 0.172 nan 8.250 nan 0.000 0.439 282 L N 0.331 121.559 121.223 0.007 0.000 2.191 282 L HA -0.091 4.250 4.340 0.002 0.000 0.212 282 L C 1.818 178.713 176.870 0.043 0.000 1.103 282 L CA 0.814 55.666 54.840 0.020 0.000 0.769 282 L CB -0.250 41.817 42.059 0.014 0.000 0.908 282 L HN 0.177 nan 8.230 nan 0.000 0.438 283 L N -0.610 120.649 121.223 0.061 0.000 2.611 283 L HA 0.035 4.377 4.340 0.002 0.000 0.229 283 L C 0.653 177.579 176.870 0.093 0.000 1.137 283 L CA 0.079 54.964 54.840 0.075 0.000 0.901 283 L CB -0.176 41.931 42.059 0.081 0.000 1.098 283 L HN 0.199 nan 8.230 nan 0.000 0.456 284 K N 0.482 120.935 120.400 0.088 0.000 3.160 284 K HA -0.201 4.121 4.320 0.002 0.000 0.280 284 K C 0.618 177.280 176.600 0.103 0.000 1.154 284 K CA 1.047 57.385 56.287 0.085 0.000 0.822 284 K CB -1.612 30.932 32.500 0.074 0.000 1.239 284 K HN 0.596 nan 8.250 nan 0.000 0.489 285 I N -4.383 116.277 120.570 0.150 0.000 3.994 285 I HA 0.176 4.347 4.170 0.002 0.000 0.323 285 I C 1.215 177.435 176.117 0.171 0.000 1.501 285 I CA -0.675 60.745 61.300 0.200 0.000 1.112 285 I CB 0.073 38.276 38.000 0.338 0.000 1.254 285 I HN -0.019 nan 8.210 nan 0.000 0.495 286 F N 3.399 123.370 119.950 0.033 0.000 2.216 286 F HA -0.179 4.350 4.527 0.002 0.000 0.300 286 F C 2.560 178.441 175.800 0.135 0.000 1.085 286 F CA 2.346 60.399 58.000 0.087 0.000 1.326 286 F CB -0.101 38.927 39.000 0.046 0.000 1.027 286 F HN 0.391 nan 8.300 nan 0.000 0.497 287 Q N -1.240 118.476 119.800 -0.140 0.000 2.297 287 Q HA -0.256 4.086 4.340 0.002 0.000 0.208 287 Q C 1.180 176.895 176.000 -0.475 0.000 0.981 287 Q CA 1.971 57.555 55.803 -0.365 0.000 0.876 287 Q CB -1.122 27.304 28.738 -0.520 0.000 0.921 287 Q HN 0.613 nan 8.270 nan 0.000 0.446 288 Y N 2.196 122.440 120.300 -0.094 0.000 2.461 288 Y HA 0.122 4.673 4.550 0.002 0.000 0.277 288 Y C 1.144 176.982 175.900 -0.103 0.000 1.182 288 Y CA -0.059 57.981 58.100 -0.101 0.000 1.276 288 Y CB 0.426 38.859 38.460 -0.045 0.000 1.087 288 Y HN 0.170 nan 8.280 nan 0.000 0.519 289 T N -1.852 112.686 114.554 -0.027 0.000 2.824 289 T HA 0.070 4.421 4.350 0.002 0.000 0.277 289 T C 0.053 174.758 174.700 0.009 0.000 0.975 289 T CA -0.988 61.110 62.100 -0.003 0.000 0.966 289 T CB 1.186 70.040 68.868 -0.024 0.000 1.054 289 T HN 0.103 nan 8.240 nan 0.000 0.533 290 N N 0.485 119.211 118.700 0.042 0.000 2.420 290 N HA 0.151 4.892 4.740 0.002 0.000 0.249 290 N C 0.282 175.925 175.510 0.222 0.000 1.033 290 N CA -0.491 52.597 53.050 0.063 0.000 0.944 290 N CB 0.014 38.502 38.487 0.002 0.000 1.113 290 N HN 0.710 nan 8.380 nan 0.000 0.502 291 F N 1.603 121.500 119.950 -0.088 0.000 2.128 291 F HA -0.115 4.413 4.527 0.002 0.000 0.295 291 F C 2.347 178.155 175.800 0.014 0.000 1.100 291 F CA 0.512 58.487 58.000 -0.041 0.000 1.260 291 F CB 0.197 39.166 39.000 -0.053 0.000 1.009 291 F HN 0.566 nan 8.300 nan 0.000 0.476 292 E N 1.226 121.555 120.200 0.215 0.000 2.049 292 E HA -0.263 4.089 4.350 0.002 0.000 0.198 292 E C 1.998 178.662 176.600 0.108 0.000 1.007 292 E CA 1.540 58.018 56.400 0.130 0.000 0.809 292 E CB -0.065 29.686 29.700 0.085 0.000 0.749 292 E HN 0.359 nan 8.360 nan 0.000 0.450 293 K N 0.155 120.609 120.400 0.089 0.000 2.148 293 K HA -0.151 4.170 4.320 0.002 0.000 0.204 293 K C 2.084 178.756 176.600 0.120 0.000 1.050 293 K CA 1.219 57.553 56.287 0.078 0.000 0.942 293 K CB -0.198 32.317 32.500 0.025 0.000 0.724 293 K HN 0.089 nan 8.250 nan 0.000 0.446 294 N N 1.710 120.489 118.700 0.132 0.000 2.080 294 N HA -0.175 4.566 4.740 0.002 0.000 0.189 294 N C 1.750 177.376 175.510 0.193 0.000 1.036 294 N CA 1.359 54.529 53.050 0.200 0.000 0.846 294 N CB -0.061 38.586 38.487 0.267 0.000 1.015 294 N HN 0.051 nan 8.380 nan 0.000 0.423 295 R N 0.040 120.614 120.500 0.124 0.000 2.091 295 R HA -0.094 4.248 4.340 0.002 0.000 0.238 295 R C 1.573 177.939 176.300 0.110 0.000 1.136 295 R CA 1.872 58.024 56.100 0.086 0.000 0.959 295 R CB -0.327 30.011 30.300 0.063 0.000 0.856 295 R HN 0.258 nan 8.270 nan 0.000 0.437 296 N N -0.468 118.303 118.700 0.120 0.000 2.104 296 N HA -0.210 4.531 4.740 0.002 0.000 0.190 296 N C 1.366 176.943 175.510 0.112 0.000 1.024 296 N CA 1.544 54.659 53.050 0.108 0.000 0.853 296 N CB -0.463 38.084 38.487 0.101 0.000 1.008 296 N HN 0.300 nan 8.380 nan 0.000 0.424 297 Y N 1.308 121.661 120.300 0.088 0.000 2.114 297 Y HA -0.108 4.444 4.550 0.002 0.000 0.284 297 Y C 1.985 177.970 175.900 0.141 0.000 1.143 297 Y CA 1.418 59.583 58.100 0.108 0.000 1.135 297 Y CB -0.454 38.070 38.460 0.106 0.000 0.980 297 Y HN 0.019 nan 8.280 nan 0.000 0.499 298 I N -0.025 120.606 120.570 0.103 0.000 2.113 298 I HA -0.401 3.770 4.170 0.002 0.000 0.242 298 I C 2.380 178.569 176.117 0.120 0.000 1.064 298 I CA 1.843 63.177 61.300 0.057 0.000 1.320 298 I CB -0.651 37.361 38.000 0.021 0.000 1.028 298 I HN 0.283 nan 8.210 nan 0.000 0.406 299 L N 0.499 121.813 121.223 0.152 0.000 2.131 299 L HA -0.175 4.166 4.340 0.002 0.000 0.210 299 L C 2.708 179.622 176.870 0.072 0.000 1.092 299 L CA 1.512 56.483 54.840 0.218 0.000 0.759 299 L CB -0.686 41.478 42.059 0.176 0.000 0.903 299 L HN 0.405 nan 8.230 nan 0.000 0.435 300 S N -1.378 114.294 115.700 -0.046 0.000 2.507 300 S HA -0.128 4.344 4.470 0.002 0.000 0.235 300 S C 1.711 176.243 174.600 -0.112 0.000 0.988 300 S CA 1.161 59.304 58.200 -0.095 0.000 0.944 300 S CB -0.657 62.459 63.200 -0.140 0.000 0.762 300 S HN 0.569 nan 8.310 nan 0.000 0.526 301 T N -1.900 112.592 114.554 -0.103 0.000 3.105 301 T HA 0.260 4.612 4.350 0.002 0.000 0.253 301 T C 0.339 175.034 174.700 -0.008 0.000 1.047 301 T CA -0.502 61.579 62.100 -0.031 0.000 0.944 301 T CB -0.245 68.622 68.868 -0.002 0.000 1.016 301 T HN 0.444 nan 8.240 nan 0.000 0.544 302 Q N 1.765 121.508 119.800 -0.095 0.000 2.313 302 Q HA 0.102 4.444 4.340 0.002 0.000 0.266 302 Q C -0.765 175.064 176.000 -0.285 0.000 0.989 302 Q CA -0.266 55.275 55.803 -0.437 0.000 0.890 302 Q CB 0.558 29.076 28.738 -0.366 0.000 1.200 302 Q HN 0.282 nan 8.270 nan 0.000 0.396 303 D N 3.635 123.840 120.400 -0.325 0.000 2.411 303 D HA 0.078 4.720 4.640 0.002 0.000 0.225 303 D C 0.345 176.516 176.300 -0.215 0.000 1.156 303 D CA -0.008 53.875 54.000 -0.195 0.000 0.874 303 D CB 0.583 41.293 40.800 -0.150 0.000 1.034 303 D HN 0.565 nan 8.370 nan 0.000 0.502 304 R N 2.551 122.950 120.500 -0.169 0.000 2.285 304 R HA -0.050 4.291 4.340 0.002 0.000 0.213 304 R C 1.511 177.722 176.300 -0.148 0.000 1.068 304 R CA 0.235 56.232 56.100 -0.172 0.000 1.004 304 R CB 0.424 30.651 30.300 -0.122 0.000 0.873 304 R HN 0.443 nan 8.270 nan 0.000 0.467 305 L N 0.035 121.191 121.223 -0.112 0.000 2.265 305 L HA 0.019 4.360 4.340 0.002 0.000 0.195 305 L C 1.976 178.797 176.870 -0.082 0.000 1.083 305 L CA 1.388 56.177 54.840 -0.085 0.000 0.798 305 L CB -0.391 41.637 42.059 -0.052 0.000 0.989 305 L HN 0.074 nan 8.230 nan 0.000 0.472 306 V N -0.910 118.969 119.914 -0.059 0.000 3.590 306 V HA 0.453 4.575 4.120 0.002 0.000 0.265 306 V C 0.843 176.970 176.094 0.055 0.000 1.239 306 V CA 0.675 62.976 62.300 0.002 0.000 1.117 306 V CB -0.214 31.637 31.823 0.048 0.000 0.818 306 V HN 0.633 nan 8.190 nan 0.000 0.451 307 G N -0.584 108.146 108.800 -0.116 0.000 2.757 307 G HA2 0.391 4.353 3.960 0.002 0.000 0.638 307 G HA3 0.391 4.353 3.960 0.002 0.000 0.638 307 G C 0.617 175.204 174.900 -0.521 0.000 1.344 307 G CA -0.280 44.664 45.100 -0.261 0.000 0.855 307 G HN 2.421 nan 8.290 nan 0.000 0.537 308 G N -2.063 106.334 108.800 -0.672 0.000 2.828 308 G HA2 0.358 4.319 3.960 0.002 0.000 0.463 308 G HA3 0.358 4.319 3.960 0.002 0.000 0.463 308 G C -0.395 174.001 174.900 -0.841 0.000 1.394 308 G CA 0.329 44.633 45.100 -1.326 0.000 0.862 308 G HN 1.825 nan 8.290 nan 0.000 0.540 309 F N -0.000 119.652 119.950 -0.497 0.000 2.593 309 F HA 0.838 5.366 4.527 0.003 0.000 0.320 309 F C 0.841 176.554 175.800 -0.146 0.000 1.060 309 F CA 0.048 57.907 58.000 -0.235 0.000 0.940 309 F CB 2.087 40.980 39.000 -0.178 0.000 1.268 309 F HN 1.003 nan 8.300 nan 0.000 0.475 310 A N 1.149 124.007 122.820 0.063 0.000 2.344 310 A HA 0.545 4.866 4.320 0.002 0.000 0.307 310 A C 0.824 178.281 177.584 -0.211 0.000 1.151 310 A CA -0.569 51.397 52.037 -0.118 0.000 0.842 310 A CB 1.319 20.276 19.000 -0.071 0.000 1.350 310 A HN 0.886 nan 8.150 nan 0.000 0.459 311 K N -1.001 119.038 120.400 -0.602 0.000 2.103 311 K HA -0.012 4.309 4.320 0.002 0.000 0.204 311 K C -0.412 176.154 176.600 -0.056 0.000 1.052 311 K CA 0.716 56.720 56.287 -0.471 0.000 0.945 311 K CB -0.001 31.976 32.500 -0.872 0.000 0.722 311 K HN 0.581 nan 8.250 nan 0.000 0.443 312 W N 1.470 122.822 121.300 0.087 0.000 2.902 312 W HA 0.410 5.072 4.660 0.003 0.000 0.346 312 W C -2.638 173.899 176.519 0.031 0.000 1.139 312 W CA -3.170 54.261 57.345 0.143 0.000 1.139 312 W CB 0.062 29.604 29.460 0.138 0.000 1.439 312 W HN -0.199 nan 8.180 nan 0.000 0.558 313 P HA -0.011 nan 4.420 nan 0.000 0.269 313 P C -0.185 177.187 177.300 0.120 0.000 1.209 313 P CA 0.559 63.717 63.100 0.096 0.000 0.776 313 P CB 0.664 32.387 31.700 0.038 0.000 0.876 314 D N -1.810 118.632 120.400 0.071 0.000 2.746 314 D HA -0.137 4.504 4.640 0.002 0.000 0.236 314 D C -0.109 176.243 176.300 0.087 0.000 1.129 314 D CA 1.189 55.230 54.000 0.069 0.000 0.691 314 D CB -1.761 39.074 40.800 0.058 0.000 1.077 314 D HN 0.338 nan 8.370 nan 0.000 0.432 315 S N -1.586 114.170 115.700 0.094 0.000 2.599 315 S HA 0.410 4.882 4.470 0.002 0.000 0.294 315 S C -0.541 174.124 174.600 0.109 0.000 1.094 315 S CA -0.628 57.613 58.200 0.068 0.000 0.931 315 S CB 1.262 64.514 63.200 0.087 0.000 1.093 315 S HN 0.234 nan 8.310 nan 0.000 0.488 316 H N 2.717 121.794 119.070 0.012 0.000 2.803 316 H HA 0.250 4.807 4.556 0.002 0.000 0.330 316 H C -1.890 173.443 175.328 0.009 0.000 1.057 316 H CA -1.438 54.626 56.048 0.028 0.000 1.458 316 H CB 0.648 30.447 29.762 0.062 0.000 1.470 316 H HN 0.425 nan 8.280 nan 0.000 0.560 317 P HA 0.062 nan 4.420 nan 0.000 0.277 317 P C -1.075 176.362 177.300 0.229 0.000 1.240 317 P CA -0.394 62.752 63.100 0.078 0.000 0.798 317 P CB 1.533 33.200 31.700 -0.056 0.000 0.979 318 D N -0.830 119.724 120.400 0.257 0.000 2.583 318 D HA 0.441 5.083 4.640 0.002 0.000 0.248 318 D C 0.903 177.457 176.300 0.422 0.000 1.209 318 D CA -0.967 53.268 54.000 0.392 0.000 0.848 318 D CB 0.379 41.384 40.800 0.341 0.000 1.431 318 D HN 0.184 nan 8.370 nan 0.000 0.436 319 A N 0.365 123.460 122.820 0.458 0.000 1.892 319 A HA -0.168 4.153 4.320 0.002 0.000 0.218 319 A C 2.019 179.671 177.584 0.113 0.000 1.188 319 A CA 1.811 54.133 52.037 0.475 0.000 0.631 319 A CB -1.059 18.237 19.000 0.494 0.000 0.822 319 A HN 0.657 nan 8.150 nan 0.000 0.447 320 L N -1.440 119.740 121.223 -0.070 0.000 1.989 320 L HA -0.249 4.093 4.340 0.002 0.000 0.211 320 L C 2.517 179.180 176.870 -0.346 0.000 1.071 320 L CA 2.423 56.899 54.840 -0.607 0.000 0.749 320 L CB -0.398 41.560 42.059 -0.167 0.000 0.890 320 L HN 0.565 nan 8.230 nan 0.000 0.431 321 H N -0.689 118.352 119.070 -0.049 0.000 2.428 321 H HA 0.011 4.568 4.556 0.003 0.000 0.296 321 H C 2.161 177.440 175.328 -0.082 0.000 1.062 321 H CA 1.112 57.139 56.048 -0.034 0.000 1.350 321 H CB -0.214 29.553 29.762 0.010 0.000 1.403 321 H HN 0.522 nan 8.280 nan 0.000 0.533 322 A N 0.346 123.205 122.820 0.064 0.000 1.877 322 A HA -0.237 4.085 4.320 0.002 0.000 0.216 322 A C 2.109 179.716 177.584 0.039 0.000 1.186 322 A CA 1.654 53.713 52.037 0.037 0.000 0.620 322 A CB -0.969 17.899 19.000 -0.220 0.000 0.822 322 A HN 0.524 nan 8.150 nan 0.000 0.443 323 Y N -0.572 119.653 120.300 -0.125 0.000 2.163 323 Y HA -0.165 4.386 4.550 0.002 0.000 0.288 323 Y C 1.941 177.455 175.900 -0.643 0.000 1.136 323 Y CA 1.698 59.568 58.100 -0.384 0.000 1.147 323 Y CB -0.589 37.413 38.460 -0.763 0.000 0.987 323 Y HN 0.283 nan 8.280 nan 0.000 0.509 324 F N -0.362 119.189 119.950 -0.666 0.000 2.325 324 F HA -0.010 4.518 4.527 0.002 0.000 0.299 324 F C 2.547 177.943 175.800 -0.674 0.000 1.090 324 F CA 0.814 58.308 58.000 -0.843 0.000 1.392 324 F CB -0.672 37.841 39.000 -0.812 0.000 1.053 324 F HN 0.143 nan 8.300 nan 0.000 0.521 325 G N 0.378 108.886 108.800 -0.488 0.000 2.402 325 G HA2 -0.196 3.766 3.960 0.002 0.000 0.216 325 G HA3 -0.196 3.766 3.960 0.002 0.000 0.216 325 G C 1.694 176.111 174.900 -0.804 0.000 1.162 325 G CA 0.680 45.346 45.100 -0.723 0.000 0.777 325 G HN 0.326 nan 8.290 nan 0.000 0.539 326 I N 0.206 120.335 120.570 -0.736 0.000 2.252 326 I HA -0.168 4.003 4.170 0.002 0.000 0.245 326 I C 2.673 178.498 176.117 -0.487 0.000 1.102 326 I CA 0.522 61.516 61.300 -0.510 0.000 1.385 326 I CB -0.129 37.743 38.000 -0.212 0.000 1.064 326 I HN 0.186 nan 8.210 nan 0.000 0.414 327 C N 0.688 119.612 119.300 -0.625 0.000 2.435 327 C HA -0.060 4.401 4.460 0.002 0.000 0.279 327 C C 2.904 177.724 174.990 -0.285 0.000 1.321 327 C CA 0.965 59.655 59.018 -0.546 0.000 1.752 327 C CB -1.614 25.546 27.740 -0.966 0.000 1.959 327 C HN 0.665 nan 8.230 nan 0.000 0.500 328 G N 0.215 108.839 108.800 -0.294 0.000 2.402 328 G HA2 -0.143 3.818 3.960 0.002 0.000 0.216 328 G HA3 -0.143 3.818 3.960 0.002 0.000 0.216 328 G C 1.415 176.164 174.900 -0.252 0.000 1.162 328 G CA 0.548 45.509 45.100 -0.231 0.000 0.777 328 G HN 0.343 nan 8.290 nan 0.000 0.539 329 L N 1.249 122.288 121.223 -0.307 0.000 2.083 329 L HA -0.006 4.335 4.340 0.002 0.000 0.209 329 L C 3.060 179.774 176.870 -0.262 0.000 1.083 329 L CA 1.889 56.550 54.840 -0.297 0.000 0.752 329 L CB -0.986 40.821 42.059 -0.422 0.000 0.899 329 L HN 0.333 nan 8.230 nan 0.000 0.433 330 S N -0.937 114.607 115.700 -0.260 0.000 2.382 330 S HA -0.159 4.312 4.470 0.002 0.000 0.228 330 S C 2.005 176.516 174.600 -0.148 0.000 1.027 330 S CA 0.764 58.850 58.200 -0.190 0.000 0.991 330 S CB -0.171 62.922 63.200 -0.179 0.000 0.823 330 S HN 0.255 nan 8.310 nan 0.000 0.469 331 L N 1.227 122.332 121.223 -0.197 0.000 2.187 331 L HA 0.122 4.463 4.340 0.002 0.000 0.213 331 L C 2.028 178.850 176.870 -0.080 0.000 1.100 331 L CA 1.698 56.390 54.840 -0.247 0.000 0.765 331 L CB -0.900 40.792 42.059 -0.612 0.000 0.904 331 L HN 0.494 nan 8.230 nan 0.000 0.437 332 M N -1.371 118.149 119.600 -0.132 0.000 2.453 332 M HA 0.092 4.573 4.480 0.002 0.000 0.239 332 M C -0.285 176.010 176.300 -0.010 0.000 1.151 332 M CA 0.020 55.189 55.300 -0.218 0.000 0.989 332 M CB 0.146 32.398 32.600 -0.580 0.000 1.548 332 M HN 0.077 nan 8.290 nan 0.000 0.479 333 E N 1.736 121.925 120.200 -0.019 0.000 2.313 333 E HA -0.178 4.173 4.350 0.002 0.000 0.190 333 E C -0.193 176.393 176.600 -0.024 0.000 1.406 333 E CA 0.184 56.584 56.400 -0.000 0.000 0.668 333 E CB -0.868 28.868 29.700 0.060 0.000 1.135 333 E HN 0.397 nan 8.360 nan 0.000 0.375 334 E N 0.752 120.896 120.200 -0.093 0.000 2.366 334 E HA 0.216 4.567 4.350 0.002 0.000 0.266 334 E C -0.470 176.081 176.600 -0.081 0.000 1.051 334 E CA -0.238 56.086 56.400 -0.126 0.000 0.884 334 E CB 1.183 30.708 29.700 -0.291 0.000 1.006 334 E HN 0.144 nan 8.360 nan 0.000 0.417 335 S N 2.818 118.497 115.700 -0.036 0.000 2.465 335 S HA 0.443 4.914 4.470 0.002 0.000 0.280 335 S C 0.750 175.379 174.600 0.047 0.000 1.232 335 S CA 0.718 58.928 58.200 0.016 0.000 1.066 335 S CB -0.445 62.782 63.200 0.045 0.000 0.929 335 S HN 0.909 nan 8.310 nan 0.000 0.494 336 G N 4.190 113.022 108.800 0.054 0.000 2.179 336 G HA2 -0.171 3.790 3.960 0.002 0.000 0.220 336 G HA3 -0.171 3.790 3.960 0.002 0.000 0.220 336 G C -0.057 174.906 174.900 0.105 0.000 0.990 336 G CA -0.006 45.158 45.100 0.106 0.000 0.646 336 G HN 0.698 nan 8.290 nan 0.000 0.517 337 I N 1.160 121.741 120.570 0.017 0.000 2.436 337 I HA 0.347 4.518 4.170 0.002 0.000 0.289 337 I C 1.062 177.165 176.117 -0.022 0.000 1.010 337 I CA -1.189 60.103 61.300 -0.014 0.000 1.098 337 I CB 1.638 39.550 38.000 -0.147 0.000 1.266 337 I HN 0.109 nan 8.210 nan 0.000 0.434 338 C N 4.211 123.508 119.300 -0.005 0.000 2.745 338 C HA 0.068 4.529 4.460 0.002 0.000 0.387 338 C C 0.983 175.961 174.990 -0.019 0.000 1.312 338 C CA -0.410 58.606 59.018 -0.003 0.000 2.204 338 C CB -0.214 27.530 27.740 0.007 0.000 2.686 338 C HN 0.688 nan 8.230 nan 0.000 0.705 339 K N 0.585 120.984 120.400 -0.002 0.000 2.270 339 K HA 0.443 4.764 4.320 0.002 0.000 0.276 339 K C -0.459 176.149 176.600 0.014 0.000 1.023 339 K CA -0.214 56.072 56.287 -0.002 0.000 0.955 339 K CB 0.756 33.264 32.500 0.013 0.000 0.975 339 K HN 0.530 nan 8.250 nan 0.000 0.471 340 V N 3.965 123.886 119.914 0.012 0.000 2.713 340 V HA 0.132 4.254 4.120 0.002 0.000 0.307 340 V C -0.552 175.620 176.094 0.129 0.000 1.052 340 V CA -0.609 61.729 62.300 0.063 0.000 0.967 340 V CB 1.447 33.291 31.823 0.035 0.000 1.019 340 V HN 0.805 nan 8.190 nan 0.000 0.459 341 H N 8.214 127.350 119.070 0.109 0.000 2.820 341 H HA 0.363 4.920 4.556 0.002 0.000 0.278 341 H C -1.831 173.624 175.328 0.212 0.000 1.142 341 H CA -1.984 54.144 56.048 0.132 0.000 1.346 341 H CB 1.591 31.431 29.762 0.131 0.000 1.438 341 H HN 0.521 nan 8.280 nan 0.000 0.473 342 P HA -0.196 nan 4.420 nan 0.000 0.216 342 P C 1.117 178.726 177.300 0.514 0.000 1.153 342 P CA 1.812 65.096 63.100 0.307 0.000 0.858 342 P CB 0.251 31.986 31.700 0.058 0.000 0.789 343 A N -0.916 122.181 122.820 0.462 0.000 1.970 343 A HA -0.035 4.287 4.320 0.002 0.000 0.216 343 A C 2.138 180.036 177.584 0.524 0.000 1.170 343 A CA 0.931 53.227 52.037 0.432 0.000 0.645 343 A CB -1.256 17.899 19.000 0.259 0.000 0.816 343 A HN 0.176 nan 8.150 nan 0.000 0.447 344 L N -0.766 120.744 121.223 0.479 0.000 2.529 344 L HA 0.192 4.534 4.340 0.002 0.000 0.223 344 L C 0.632 177.760 176.870 0.431 0.000 1.113 344 L CA 0.959 55.898 54.840 0.165 0.000 0.861 344 L CB -0.768 41.011 42.059 -0.466 0.000 1.012 344 L HN 0.570 nan 8.230 nan 0.000 0.461 345 N N -0.358 118.697 118.700 0.592 0.000 2.740 345 N HA -0.179 4.563 4.740 0.002 0.000 0.248 345 N C -0.759 175.015 175.510 0.440 0.000 1.062 345 N CA 0.988 54.374 53.050 0.560 0.000 0.704 345 N CB -1.179 37.751 38.487 0.738 0.000 0.968 345 N HN 0.272 nan 8.380 nan 0.000 0.547 346 V N -3.353 116.748 119.914 0.311 0.000 3.159 346 V HA 0.837 4.959 4.120 0.002 0.000 0.308 346 V C 0.615 176.801 176.094 0.154 0.000 1.190 346 V CA -0.472 61.954 62.300 0.210 0.000 1.037 346 V CB 1.469 33.389 31.823 0.161 0.000 1.060 346 V HN 0.466 nan 8.190 nan 0.000 0.437 347 S N 0.361 116.111 115.700 0.084 0.000 2.573 347 S HA 0.144 4.615 4.470 0.002 0.000 0.277 347 S C 1.295 175.954 174.600 0.099 0.000 1.346 347 S CA 0.430 58.669 58.200 0.064 0.000 1.034 347 S CB 0.831 64.045 63.200 0.023 0.000 0.879 347 S HN 1.733 nan 8.310 nan 0.000 0.528 348 T N -0.400 114.214 114.554 0.101 0.000 2.962 348 T HA -0.118 4.234 4.350 0.002 0.000 0.270 348 T C 1.733 176.479 174.700 0.077 0.000 1.088 348 T CA 0.912 63.084 62.100 0.121 0.000 1.127 348 T CB -0.415 68.511 68.868 0.097 0.000 0.883 348 T HN 0.728 nan 8.240 nan 0.000 0.493 349 R N 1.222 121.751 120.500 0.048 0.000 2.083 349 R HA -0.137 4.204 4.340 0.002 0.000 0.237 349 R C 2.238 178.550 176.300 0.020 0.000 1.137 349 R CA 2.049 58.166 56.100 0.028 0.000 0.951 349 R CB -0.924 29.387 30.300 0.017 0.000 0.851 349 R HN 0.388 nan 8.270 nan 0.000 0.434 350 T N 0.308 114.875 114.554 0.022 0.000 2.821 350 T HA -0.120 4.232 4.350 0.002 0.000 0.267 350 T C 1.842 176.544 174.700 0.002 0.000 1.046 350 T CA 1.536 63.640 62.100 0.006 0.000 1.139 350 T CB -0.187 68.687 68.868 0.011 0.000 0.871 350 T HN 0.545 nan 8.240 nan 0.000 0.454 351 S N 1.564 117.290 115.700 0.042 0.000 2.402 351 S HA -0.076 4.396 4.470 0.002 0.000 0.229 351 S C 1.829 176.446 174.600 0.029 0.000 1.021 351 S CA 0.939 59.168 58.200 0.048 0.000 0.974 351 S CB -0.324 62.988 63.200 0.187 0.000 0.800 351 S HN 0.565 nan 8.310 nan 0.000 0.484 352 E N 0.673 120.891 120.200 0.030 0.000 2.112 352 E HA 0.037 4.389 4.350 0.002 0.000 0.190 352 E C 2.365 178.935 176.600 -0.049 0.000 0.979 352 E CA 0.249 56.652 56.400 0.004 0.000 0.814 352 E CB -0.108 29.604 29.700 0.020 0.000 0.762 352 E HN 0.238 nan 8.360 nan 0.000 0.460 353 R N 1.135 121.604 120.500 -0.052 0.000 2.105 353 R HA -0.154 4.188 4.340 0.002 0.000 0.239 353 R C 2.251 178.458 176.300 -0.156 0.000 1.135 353 R CA 0.981 57.034 56.100 -0.077 0.000 0.967 353 R CB -0.543 29.725 30.300 -0.053 0.000 0.861 353 R HN 0.217 nan 8.270 nan 0.000 0.442 354 L N 0.737 121.843 121.223 -0.194 0.000 2.109 354 L HA -0.089 4.253 4.340 0.002 0.000 0.207 354 L C 2.661 179.194 176.870 -0.560 0.000 1.086 354 L CA 1.717 56.325 54.840 -0.387 0.000 0.760 354 L CB -0.625 41.233 42.059 -0.334 0.000 0.910 354 L HN -0.086 nan 8.230 nan 0.000 0.437 355 R N -0.321 119.996 120.500 -0.305 0.000 2.081 355 R HA -0.142 4.199 4.340 0.002 0.000 0.235 355 R C 1.973 178.158 176.300 -0.191 0.000 1.131 355 R CA 1.798 57.775 56.100 -0.205 0.000 0.960 355 R CB -1.179 29.090 30.300 -0.051 0.000 0.856 355 R HN 0.651 nan 8.270 nan 0.000 0.436 356 D N 0.409 120.703 120.400 -0.177 0.000 2.078 356 D HA -0.084 4.557 4.640 0.002 0.000 0.193 356 D C 2.142 178.298 176.300 -0.240 0.000 0.990 356 D CA 1.661 55.572 54.000 -0.147 0.000 0.827 356 D CB -0.539 40.199 40.800 -0.103 0.000 0.975 356 D HN 0.287 nan 8.370 nan 0.000 0.451 357 L N 0.397 121.406 121.223 -0.357 0.000 2.021 357 L HA -0.281 4.061 4.340 0.002 0.000 0.215 357 L C 2.484 178.777 176.870 -0.961 0.000 1.074 357 L CA 1.575 56.060 54.840 -0.592 0.000 0.760 357 L CB -0.495 41.177 42.059 -0.645 0.000 0.889 357 L HN 0.274 nan 8.230 nan 0.000 0.433 358 H N -2.041 116.510 119.070 -0.865 0.000 2.319 358 H HA -0.247 4.311 4.556 0.002 0.000 0.299 358 H C 2.421 177.558 175.328 -0.318 0.000 1.092 358 H CA 1.358 56.993 56.048 -0.688 0.000 1.302 358 H CB 0.019 29.545 29.762 -0.393 0.000 1.373 358 H HN 0.236 nan 8.280 nan 0.000 0.497 359 Q N 0.842 120.594 119.800 -0.080 0.000 2.096 359 Q HA -0.196 4.146 4.340 0.002 0.000 0.204 359 Q C 2.681 178.684 176.000 0.004 0.000 0.982 359 Q CA 1.800 57.590 55.803 -0.021 0.000 0.850 359 Q CB -0.521 28.204 28.738 -0.022 0.000 0.901 359 Q HN 0.707 nan 8.270 nan 0.000 0.422 360 S N -1.028 114.649 115.700 -0.038 0.000 2.368 360 S HA -0.147 4.324 4.470 0.002 0.000 0.225 360 S C 1.697 176.419 174.600 0.203 0.000 1.030 360 S CA 1.291 59.524 58.200 0.055 0.000 0.999 360 S CB -0.779 62.447 63.200 0.043 0.000 0.844 360 S HN 0.780 nan 8.310 nan 0.000 0.459 361 W N 2.550 123.875 121.300 0.040 0.000 2.392 361 W HA 0.214 4.875 4.660 0.001 0.000 0.279 361 W C 1.758 178.284 176.519 0.010 0.000 1.225 361 W CA 0.442 57.802 57.345 0.025 0.000 1.233 361 W CB -1.225 28.251 29.460 0.025 0.000 1.122 361 W HN 0.522 nan 8.180 nan 0.000 0.561 362 K N 1.754 122.286 120.400 0.219 0.000 2.083 362 K HA 0.396 4.717 4.320 0.002 0.000 0.246 362 K C 0.303 176.959 176.600 0.093 0.000 1.160 362 K CA 0.754 57.116 56.287 0.125 0.000 1.060 362 K CB -1.196 31.352 32.500 0.081 0.000 1.417 362 K HN 0.230 nan 8.250 nan 0.000 0.329 363 T N 0.000 114.607 114.554 0.089 0.000 3.816 363 T HA 0.000 4.351 4.350 0.002 0.000 0.228 363 T CA 0.000 62.138 62.100 0.063 0.000 1.349 363 T CB 0.000 68.909 68.868 0.069 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658