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 2onm_1_J DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT KVKTVTVKVP QKNS 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.586 177.584 0.003 0.000 1.274 7 A CA 0.000 52.056 52.037 0.031 0.000 0.836 7 A CB 0.000 19.034 19.000 0.057 0.000 0.831 8 V N 1.425 121.305 119.914 -0.056 0.000 2.409 8 V HA 0.497 4.617 4.120 -0.000 0.000 0.291 8 V C -2.134 173.851 176.094 -0.182 0.000 1.020 8 V CA -1.514 60.647 62.300 -0.230 0.000 0.848 8 V CB 1.360 33.104 31.823 -0.133 0.000 0.990 8 V HN 0.535 nan 8.190 nan 0.000 0.430 9 P HA 0.302 nan 4.420 nan 0.000 0.269 9 P C -0.252 177.024 177.300 -0.041 0.000 1.215 9 P CA -0.162 62.874 63.100 -0.108 0.000 0.780 9 P CB 0.485 32.140 31.700 -0.075 0.000 0.898 10 A N 3.776 126.565 122.820 -0.053 0.000 2.492 10 A HA 0.330 4.650 4.320 -0.000 0.000 0.254 10 A C -1.673 175.802 177.584 -0.182 0.000 1.091 10 A CA -0.728 51.242 52.037 -0.112 0.000 0.768 10 A CB -1.029 17.919 19.000 -0.087 0.000 1.028 10 A HN 0.430 nan 8.150 nan 0.000 0.498 11 P HA 0.162 nan 4.420 nan 0.000 0.281 11 P C -0.863 176.213 177.300 -0.373 0.000 1.249 11 P CA -0.656 62.112 63.100 -0.554 0.000 0.810 11 P CB 0.805 31.768 31.700 -1.228 0.000 1.008 12 N N 1.536 120.076 118.700 -0.267 0.000 2.500 12 N HA 0.031 4.771 4.740 -0.000 0.000 0.236 12 N C 0.756 175.971 175.510 -0.492 0.000 1.022 12 N CA -0.018 52.878 53.050 -0.258 0.000 0.935 12 N CB 0.259 38.695 38.487 -0.085 0.000 1.147 12 N HN 0.223 nan 8.380 nan 0.000 0.512 13 Q N 1.614 120.953 119.800 -0.769 0.000 2.561 13 Q HA -0.104 4.236 4.340 -0.000 0.000 0.217 13 Q C -0.182 175.383 176.000 -0.724 0.000 0.980 13 Q CA 0.750 55.715 55.803 -1.398 0.000 0.927 13 Q CB 0.114 28.174 28.738 -1.130 0.000 0.980 13 Q HN 0.613 nan 8.270 nan 0.000 0.525 14 Q N 0.267 119.839 119.800 -0.381 0.000 3.180 14 Q HA 0.210 4.550 4.340 -0.000 0.000 0.317 14 Q C -2.603 173.318 176.000 -0.130 0.000 0.824 14 Q CA -1.724 53.961 55.803 -0.196 0.000 0.926 14 Q CB 1.233 29.872 28.738 -0.165 0.000 1.487 14 Q HN 0.005 nan 8.270 nan 0.000 0.389 15 P HA -0.061 nan 4.420 nan 0.000 0.266 15 P C -0.569 176.693 177.300 -0.064 0.000 1.195 15 P CA 0.009 63.086 63.100 -0.040 0.000 0.768 15 P CB 0.696 32.312 31.700 -0.139 0.000 0.838 16 E N 1.448 121.615 120.200 -0.054 0.000 2.343 16 E HA 0.251 4.601 4.350 -0.000 0.000 0.269 16 E C -0.953 175.374 176.600 -0.454 0.000 1.047 16 E CA -0.673 55.532 56.400 -0.325 0.000 0.874 16 E CB 0.634 30.018 29.700 -0.527 0.000 1.033 16 E HN 0.096 nan 8.360 nan 0.000 0.409 17 V N 5.764 125.398 119.914 -0.468 0.000 2.350 17 V HA 0.140 4.260 4.120 -0.000 0.000 0.276 17 V C -0.064 175.769 176.094 -0.435 0.000 1.028 17 V CA -0.120 61.986 62.300 -0.324 0.000 0.860 17 V CB 0.783 32.497 31.823 -0.182 0.000 0.990 17 V HN 0.708 nan 8.190 nan 0.000 0.453 18 F N 1.876 121.822 119.950 -0.006 0.000 2.622 18 F HA 0.212 4.739 4.527 -0.000 0.000 0.288 18 F C 1.001 176.671 175.800 -0.216 0.000 1.120 18 F CA -0.086 57.875 58.000 -0.064 0.000 1.423 18 F CB 0.294 39.305 39.000 0.019 0.000 1.127 18 F HN 0.392 nan 8.300 nan 0.000 0.588 19 C N 2.036 121.304 119.300 -0.054 0.000 2.340 19 C HA 0.465 4.925 4.460 -0.000 0.000 0.323 19 C C 0.413 175.220 174.990 -0.306 0.000 1.260 19 C CA -0.880 57.855 59.018 -0.473 0.000 1.464 19 C CB 0.425 27.878 27.740 -0.479 0.000 2.156 19 C HN 0.544 nan 8.230 nan 0.000 0.476 20 N N 0.852 119.345 118.700 -0.344 0.000 2.193 20 N HA 0.049 4.789 4.740 -0.000 0.000 0.236 20 N C -0.374 175.097 175.510 -0.064 0.000 1.347 20 N CA -0.257 52.696 53.050 -0.161 0.000 0.812 20 N CB 0.061 38.451 38.487 -0.163 0.000 1.297 20 N HN 0.806 nan 8.380 nan 0.000 0.499 21 Q N -0.016 119.799 119.800 0.025 0.000 2.990 21 Q HA 0.577 4.917 4.340 -0.000 0.000 0.255 21 Q C -0.427 175.880 176.000 0.511 0.000 1.040 21 Q CA -0.961 55.000 55.803 0.265 0.000 0.897 21 Q CB 1.834 30.766 28.738 0.322 0.000 1.429 21 Q HN 0.107 nan 8.270 nan 0.000 0.497 22 I N 1.227 122.072 120.570 0.459 0.000 2.395 22 I HA 0.166 4.336 4.170 -0.000 0.000 0.289 22 I C -0.816 175.537 176.117 0.393 0.000 1.023 22 I CA -0.229 61.296 61.300 0.374 0.000 1.350 22 I CB 0.513 38.647 38.000 0.224 0.000 1.409 22 I HN 0.372 nan 8.210 nan 0.000 0.507 23 F N 8.268 128.229 119.950 0.019 0.000 2.334 23 F HA 0.596 5.123 4.527 -0.000 0.000 0.367 23 F C -0.505 175.185 175.800 -0.184 0.000 1.115 23 F CA -0.500 57.307 58.000 -0.322 0.000 1.116 23 F CB 0.353 39.033 39.000 -0.535 0.000 1.230 23 F HN 0.167 nan 8.300 nan 0.000 0.484 24 I N 5.653 125.903 120.570 -0.534 0.000 2.534 24 I HA 0.201 4.371 4.170 -0.000 0.000 0.288 24 I C -0.317 175.499 176.117 -0.500 0.000 1.077 24 I CA -0.995 60.036 61.300 -0.449 0.000 1.051 24 I CB 1.820 39.630 38.000 -0.318 0.000 1.234 24 I HN 0.472 nan 8.210 nan 0.000 0.425 25 N N 4.691 123.103 118.700 -0.479 0.000 2.735 25 N HA -0.242 4.498 4.740 -0.000 0.000 0.248 25 N C 0.041 175.280 175.510 -0.451 0.000 1.083 25 N CA 1.325 54.164 53.050 -0.352 0.000 0.703 25 N CB -1.029 37.352 38.487 -0.178 0.000 1.005 25 N HN 0.952 nan 8.380 nan 0.000 0.550 26 N N -1.532 116.640 118.700 -0.881 0.000 2.741 26 N HA -0.234 4.506 4.740 -0.000 0.000 0.251 26 N C -1.037 174.148 175.510 -0.541 0.000 1.112 26 N CA 1.251 53.856 53.050 -0.742 0.000 0.750 26 N CB -0.392 37.983 38.487 -0.188 0.000 1.119 26 N HN 0.595 nan 8.380 nan 0.000 0.561 27 E N -0.638 119.163 120.200 -0.665 0.000 2.312 27 E HA 0.329 4.679 4.350 -0.000 0.000 0.267 27 E C -0.941 175.418 176.600 -0.402 0.000 0.894 27 E CA -0.677 55.489 56.400 -0.390 0.000 0.773 27 E CB 1.096 30.648 29.700 -0.247 0.000 1.241 27 E HN 0.124 nan 8.360 nan 0.000 0.432 28 W N 1.959 123.227 121.300 -0.054 0.000 2.338 28 W HA 0.283 4.943 4.660 -0.000 0.000 0.307 28 W C 0.481 176.908 176.519 -0.154 0.000 1.167 28 W CA -0.259 57.108 57.345 0.038 0.000 1.208 28 W CB 0.794 30.303 29.460 0.082 0.000 1.228 28 W HN 0.292 nan 8.180 nan 0.000 0.499 29 H N 1.593 120.830 119.070 0.279 0.000 2.747 29 H HA 0.255 4.811 4.556 -0.000 0.000 0.371 29 H C -0.640 174.787 175.328 0.165 0.000 1.161 29 H CA -0.931 55.214 56.048 0.163 0.000 1.167 29 H CB 2.088 31.897 29.762 0.079 0.000 1.732 29 H HN 0.277 nan 8.280 nan 0.000 0.544 30 D N 0.478 121.022 120.400 0.240 0.000 2.348 30 D HA 0.312 4.952 4.640 -0.000 0.000 0.249 30 D C 0.221 176.610 176.300 0.148 0.000 1.110 30 D CA -0.463 53.634 54.000 0.162 0.000 0.967 30 D CB 1.716 42.583 40.800 0.111 0.000 1.139 30 D HN 0.569 nan 8.370 nan 0.000 0.466 31 A N 0.822 123.711 122.820 0.116 0.000 2.483 31 A HA 0.083 4.403 4.320 -0.000 0.000 0.238 31 A C 1.526 179.158 177.584 0.080 0.000 1.070 31 A CA -0.398 51.696 52.037 0.095 0.000 0.770 31 A CB 0.361 19.416 19.000 0.091 0.000 1.008 31 A HN 0.428 nan 8.150 nan 0.000 0.497 32 V N 2.271 122.222 119.914 0.063 0.000 2.392 32 V HA -0.259 3.861 4.120 -0.000 0.000 0.249 32 V C 2.679 178.805 176.094 0.054 0.000 1.059 32 V CA 2.774 65.106 62.300 0.052 0.000 1.051 32 V CB -0.921 30.925 31.823 0.038 0.000 0.658 32 V HN 1.117 nan 8.190 nan 0.000 0.455 33 S N -0.685 115.050 115.700 0.058 0.000 2.522 33 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 33 S C 1.243 175.880 174.600 0.061 0.000 0.986 33 S CA 0.563 58.798 58.200 0.059 0.000 0.929 33 S CB -0.253 62.987 63.200 0.065 0.000 0.769 33 S HN 0.626 nan 8.310 nan 0.000 0.529 34 R N -0.182 120.357 120.500 0.065 0.000 3.994 34 R HA -0.138 4.202 4.340 -0.000 0.000 0.403 34 R C -0.554 175.785 176.300 0.064 0.000 1.126 34 R CA 1.298 57.435 56.100 0.062 0.000 1.143 34 R CB -2.077 28.255 30.300 0.053 0.000 1.695 34 R HN 0.513 nan 8.270 nan 0.000 0.555 35 K N 1.373 121.818 120.400 0.076 0.000 2.219 35 K HA 0.291 4.611 4.320 -0.000 0.000 0.258 35 K C 0.646 177.303 176.600 0.094 0.000 1.008 35 K CA 0.701 57.042 56.287 0.090 0.000 0.928 35 K CB 0.761 33.328 32.500 0.112 0.000 0.983 35 K HN 0.204 nan 8.250 nan 0.000 0.484 36 T N -1.165 113.449 114.554 0.100 0.000 2.923 36 T HA 0.592 4.942 4.350 -0.000 0.000 0.311 36 T C -0.889 173.889 174.700 0.130 0.000 1.183 36 T CA -1.078 61.059 62.100 0.061 0.000 1.020 36 T CB 0.602 69.456 68.868 -0.022 0.000 1.165 36 T HN 0.479 nan 8.240 nan 0.000 0.482 37 F N 0.028 119.970 119.950 -0.014 0.000 2.561 37 F HA 0.911 5.437 4.527 -0.000 0.000 0.321 37 F C -2.990 172.828 175.800 0.031 0.000 1.065 37 F CA -2.992 55.030 58.000 0.036 0.000 0.934 37 F CB 1.528 40.526 39.000 -0.005 0.000 1.215 37 F HN 0.403 nan 8.300 nan 0.000 0.471 38 P HA 0.181 nan 4.420 nan 0.000 0.282 38 P C -1.005 176.347 177.300 0.087 0.000 1.249 38 P CA -0.217 62.893 63.100 0.016 0.000 0.806 38 P CB 1.946 33.692 31.700 0.077 0.000 0.984 39 T N 1.561 116.105 114.554 -0.017 0.000 2.792 39 T HA 0.394 4.744 4.350 -0.000 0.000 0.280 39 T C -0.541 174.176 174.700 0.029 0.000 0.990 39 T CA -0.516 61.611 62.100 0.045 0.000 0.960 39 T CB 0.295 69.153 68.868 -0.017 0.000 0.939 39 T HN 0.071 nan 8.240 nan 0.000 0.439 40 V N 5.752 125.698 119.914 0.053 0.000 2.617 40 V HA 0.414 4.534 4.120 -0.000 0.000 0.298 40 V C 0.645 176.746 176.094 0.011 0.000 1.048 40 V CA -1.005 61.318 62.300 0.038 0.000 0.964 40 V CB 1.584 33.456 31.823 0.082 0.000 1.004 40 V HN 0.943 nan 8.190 nan 0.000 0.466 41 N N 5.373 124.067 118.700 -0.010 0.000 2.437 41 N HA 0.230 4.970 4.740 -0.000 0.000 0.243 41 N C -1.496 173.975 175.510 -0.065 0.000 1.041 41 N CA -1.556 51.474 53.050 -0.033 0.000 0.940 41 N CB 1.400 39.873 38.487 -0.025 0.000 1.133 41 N HN 0.421 nan 8.380 nan 0.000 0.506 42 P HA -0.102 nan 4.420 nan 0.000 0.223 42 P C 0.533 177.645 177.300 -0.313 0.000 1.144 42 P CA 0.993 64.038 63.100 -0.091 0.000 0.783 42 P CB 0.360 32.019 31.700 -0.069 0.000 0.771 43 S N -0.588 114.986 115.700 -0.209 0.000 2.436 43 S HA -0.034 4.436 4.470 -0.000 0.000 0.228 43 S C 1.817 176.403 174.600 -0.024 0.000 1.014 43 S CA 1.746 59.883 58.200 -0.106 0.000 0.950 43 S CB -0.583 62.629 63.200 0.019 0.000 0.784 43 S HN 0.452 nan 8.310 nan 0.000 0.504 44 T N -3.342 111.145 114.554 -0.112 0.000 2.958 44 T HA 0.470 4.820 4.350 -0.000 0.000 0.256 44 T C 1.440 176.024 174.700 -0.194 0.000 0.983 44 T CA 0.753 62.787 62.100 -0.109 0.000 0.924 44 T CB 0.435 69.272 68.868 -0.053 0.000 1.136 44 T HN 0.490 nan 8.240 nan 0.000 0.506 45 G N 1.722 110.363 108.800 -0.265 0.000 2.159 45 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.256 45 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.256 45 G C -0.188 174.660 174.900 -0.086 0.000 0.977 45 G CA 0.158 45.109 45.100 -0.249 0.000 0.652 45 G HN 0.632 nan 8.290 nan 0.000 0.531 46 E N 0.021 120.179 120.200 -0.069 0.000 2.313 46 E HA 0.453 4.803 4.350 -0.000 0.000 0.272 46 E C 0.520 177.108 176.600 -0.020 0.000 1.038 46 E CA -0.677 55.700 56.400 -0.037 0.000 0.863 46 E CB 2.070 31.747 29.700 -0.039 0.000 1.060 46 E HN 0.113 nan 8.360 nan 0.000 0.402 47 V N 3.982 123.889 119.914 -0.012 0.000 2.521 47 V HA -0.009 4.111 4.120 -0.000 0.000 0.286 47 V C 1.673 177.749 176.094 -0.029 0.000 1.034 47 V CA 0.304 62.598 62.300 -0.010 0.000 1.045 47 V CB 0.243 32.062 31.823 -0.007 0.000 0.974 47 V HN 0.628 nan 8.190 nan 0.000 0.480 48 I N 3.882 124.431 120.570 -0.034 0.000 2.277 48 I HA 0.019 4.189 4.170 -0.000 0.000 0.243 48 I C 0.984 177.059 176.117 -0.070 0.000 1.094 48 I CA 1.248 62.518 61.300 -0.049 0.000 1.393 48 I CB 0.121 38.093 38.000 -0.047 0.000 1.078 48 I HN 0.881 nan 8.210 nan 0.000 0.417 49 C N -1.994 117.257 119.300 -0.082 0.000 3.211 49 C HA 0.506 4.966 4.460 -0.000 0.000 0.350 49 C C -0.879 174.029 174.990 -0.136 0.000 1.413 49 C CA -1.140 57.816 59.018 -0.103 0.000 1.203 49 C CB 1.191 28.859 27.740 -0.120 0.000 1.506 49 C HN 0.209 nan 8.230 nan 0.000 0.448 50 Q N 0.325 120.036 119.800 -0.147 0.000 2.235 50 Q HA 0.817 5.157 4.340 -0.000 0.000 0.250 50 Q C -0.812 175.020 176.000 -0.280 0.000 0.909 50 Q CA -0.266 55.420 55.803 -0.194 0.000 0.910 50 Q CB 1.613 30.280 28.738 -0.119 0.000 1.223 50 Q HN 0.802 nan 8.270 nan 0.000 0.432 51 V N 2.029 121.650 119.914 -0.488 0.000 2.709 51 V HA 0.709 4.829 4.120 -0.000 0.000 0.308 51 V C -0.649 175.196 176.094 -0.414 0.000 1.062 51 V CA -1.216 60.770 62.300 -0.525 0.000 0.901 51 V CB 1.810 33.137 31.823 -0.827 0.000 1.003 51 V HN 0.951 nan 8.190 nan 0.000 0.425 52 A N 2.777 125.522 122.820 -0.125 0.000 2.566 52 A HA 0.182 4.502 4.320 -0.000 0.000 0.245 52 A C 0.398 178.070 177.584 0.147 0.000 1.056 52 A CA 0.302 52.356 52.037 0.029 0.000 0.757 52 A CB -0.104 18.955 19.000 0.099 0.000 0.979 52 A HN 0.909 nan 8.150 nan 0.000 0.508 53 E N 3.036 123.346 120.200 0.183 0.000 1.936 53 E HA 0.369 4.719 4.350 -0.000 0.000 0.267 53 E C 0.658 177.308 176.600 0.084 0.000 1.076 53 E CA -0.285 56.228 56.400 0.189 0.000 0.870 53 E CB 0.215 30.007 29.700 0.153 0.000 1.093 53 E HN 0.806 nan 8.360 nan 0.000 0.411 54 G N 3.352 112.197 108.800 0.075 0.000 2.491 54 G HA2 0.082 4.042 3.960 -0.000 0.000 0.242 54 G HA3 0.082 4.042 3.960 -0.000 0.000 0.242 54 G C -0.330 174.594 174.900 0.040 0.000 1.266 54 G CA -0.196 44.941 45.100 0.062 0.000 0.844 54 G HN 0.587 nan 8.290 nan 0.000 0.571 55 D N -0.605 119.826 120.400 0.052 0.000 2.867 55 D HA 0.226 4.866 4.640 -0.000 0.000 0.308 55 D C 1.401 177.734 176.300 0.055 0.000 1.202 55 D CA -0.808 53.227 54.000 0.058 0.000 1.035 55 D CB 1.182 42.022 40.800 0.066 0.000 1.427 55 D HN 0.213 nan 8.370 nan 0.000 0.570 56 K N 0.081 120.515 120.400 0.057 0.000 2.052 56 K HA -0.217 4.103 4.320 -0.000 0.000 0.215 56 K C 1.600 178.235 176.600 0.059 0.000 1.053 56 K CA 1.842 58.165 56.287 0.061 0.000 0.934 56 K CB -0.039 32.492 32.500 0.050 0.000 0.717 56 K HN 0.391 nan 8.250 nan 0.000 0.450 57 E N 0.210 120.438 120.200 0.046 0.000 2.153 57 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 57 E C 1.599 178.213 176.600 0.023 0.000 0.988 57 E CA 1.008 57.430 56.400 0.036 0.000 0.811 57 E CB 0.005 29.723 29.700 0.031 0.000 0.746 57 E HN 0.377 nan 8.360 nan 0.000 0.466 58 D N 0.418 120.832 120.400 0.023 0.000 2.162 58 D HA -0.080 4.560 4.640 -0.000 0.000 0.203 58 D C 2.128 178.423 176.300 -0.008 0.000 0.967 58 D CA 0.720 54.722 54.000 0.003 0.000 0.840 58 D CB 0.129 40.944 40.800 0.026 0.000 0.972 58 D HN 0.043 nan 8.370 nan 0.000 0.482 59 V N 1.922 121.845 119.914 0.015 0.000 2.427 59 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 59 V C 1.950 178.027 176.094 -0.029 0.000 1.051 59 V CA 1.544 63.843 62.300 -0.001 0.000 1.048 59 V CB -0.357 31.488 31.823 0.036 0.000 0.666 59 V HN 0.017 nan 8.190 nan 0.000 0.456 60 D N 0.206 120.630 120.400 0.039 0.000 2.117 60 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 60 D C 2.277 178.576 176.300 -0.002 0.000 0.987 60 D CA 1.237 55.288 54.000 0.085 0.000 0.829 60 D CB -0.144 40.728 40.800 0.121 0.000 0.961 60 D HN 0.424 nan 8.370 nan 0.000 0.460 61 K N 0.516 120.896 120.400 -0.034 0.000 2.097 61 K HA -0.021 4.298 4.320 -0.000 0.000 0.205 61 K C 2.115 178.650 176.600 -0.109 0.000 1.050 61 K CA 1.054 57.294 56.287 -0.077 0.000 0.938 61 K CB -0.024 32.405 32.500 -0.117 0.000 0.718 61 K HN 0.012 nan 8.250 nan 0.000 0.442 62 A N 1.045 123.798 122.820 -0.112 0.000 1.858 62 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 62 A C 2.385 179.889 177.584 -0.133 0.000 1.190 62 A CA 1.438 53.400 52.037 -0.124 0.000 0.617 62 A CB -0.751 18.191 19.000 -0.097 0.000 0.827 62 A HN 0.060 nan 8.150 nan 0.000 0.443 63 V N 0.078 119.887 119.914 -0.175 0.000 2.332 63 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 63 V C 2.527 178.546 176.094 -0.125 0.000 1.055 63 V CA 2.482 64.646 62.300 -0.227 0.000 1.038 63 V CB -0.692 30.806 31.823 -0.542 0.000 0.651 63 V HN 0.623 nan 8.190 nan 0.000 0.450 64 K N 0.004 120.354 120.400 -0.083 0.000 2.063 64 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 64 K C 2.199 178.780 176.600 -0.032 0.000 1.048 64 K CA 1.548 57.817 56.287 -0.030 0.000 0.928 64 K CB -0.396 32.094 32.500 -0.017 0.000 0.713 64 K HN 0.466 nan 8.250 nan 0.000 0.442 65 A N 0.625 123.406 122.820 -0.064 0.000 1.898 65 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 65 A C 2.290 179.845 177.584 -0.047 0.000 1.181 65 A CA 1.743 53.739 52.037 -0.069 0.000 0.620 65 A CB -0.823 18.105 19.000 -0.120 0.000 0.819 65 A HN 0.412 nan 8.150 nan 0.000 0.442 66 A N -0.002 122.782 122.820 -0.059 0.000 1.877 66 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 66 A C 2.184 179.798 177.584 0.049 0.000 1.186 66 A CA 2.210 54.227 52.037 -0.034 0.000 0.620 66 A CB -0.474 18.483 19.000 -0.073 0.000 0.822 66 A HN 0.462 nan 8.150 nan 0.000 0.443 67 R N 0.291 120.816 120.500 0.041 0.000 2.105 67 R HA -0.046 4.294 4.340 -0.000 0.000 0.239 67 R C 2.058 178.449 176.300 0.152 0.000 1.135 67 R CA 2.016 58.183 56.100 0.113 0.000 0.967 67 R CB -0.888 29.455 30.300 0.072 0.000 0.861 67 R HN 0.398 nan 8.270 nan 0.000 0.442 68 A N 0.064 122.938 122.820 0.089 0.000 1.898 68 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 68 A C 2.317 179.962 177.584 0.102 0.000 1.181 68 A CA 1.522 53.605 52.037 0.077 0.000 0.620 68 A CB -0.916 18.106 19.000 0.036 0.000 0.819 68 A HN 0.467 nan 8.150 nan 0.000 0.442 69 A N -2.064 120.823 122.820 0.112 0.000 2.067 69 A HA 0.075 4.395 4.320 -0.000 0.000 0.219 69 A C 1.746 179.498 177.584 0.281 0.000 1.158 69 A CA 1.215 53.338 52.037 0.143 0.000 0.661 69 A CB -0.533 18.503 19.000 0.061 0.000 0.801 69 A HN 0.580 nan 8.150 nan 0.000 0.452 70 F N 0.287 120.314 119.950 0.130 0.000 2.765 70 F HA 0.193 4.720 4.527 -0.000 0.000 0.302 70 F C 0.714 176.587 175.800 0.121 0.000 1.111 70 F CA -0.180 57.923 58.000 0.172 0.000 1.359 70 F CB 0.138 39.223 39.000 0.142 0.000 1.097 70 F HN 0.089 nan 8.300 nan 0.000 0.577 71 Q N 1.633 121.470 119.800 0.063 0.000 2.330 71 Q HA 0.026 4.366 4.340 -0.000 0.000 0.279 71 Q C -0.206 175.735 176.000 -0.098 0.000 1.024 71 Q CA -0.088 55.707 55.803 -0.014 0.000 0.900 71 Q CB 0.757 29.515 28.738 0.034 0.000 1.221 71 Q HN 0.248 nan 8.270 nan 0.000 0.396 72 L N 1.677 122.830 121.223 -0.115 0.000 2.578 72 L HA 0.084 4.424 4.340 -0.000 0.000 0.279 72 L C 1.273 178.108 176.870 -0.059 0.000 1.227 72 L CA 2.188 56.960 54.840 -0.112 0.000 0.900 72 L CB 0.048 42.061 42.059 -0.076 0.000 1.144 72 L HN 0.936 nan 8.230 nan 0.000 0.496 73 G N 1.802 110.568 108.800 -0.056 0.000 2.194 73 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.236 73 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.236 73 G C 0.347 175.244 174.900 -0.006 0.000 0.987 73 G CA 0.296 45.381 45.100 -0.026 0.000 0.635 73 G HN 1.081 nan 8.290 nan 0.000 0.520 74 S N 0.574 116.276 115.700 0.003 0.000 2.600 74 S HA 0.546 5.016 4.470 -0.000 0.000 0.265 74 S C -0.651 173.995 174.600 0.077 0.000 1.325 74 S CA -0.198 58.032 58.200 0.050 0.000 1.002 74 S CB 1.789 65.040 63.200 0.085 0.000 0.921 74 S HN 0.014 nan 8.310 nan 0.000 0.554 75 P HA -0.085 nan 4.420 nan 0.000 0.216 75 P C 1.219 178.655 177.300 0.227 0.000 1.150 75 P CA 1.122 64.304 63.100 0.136 0.000 0.837 75 P CB -0.079 31.705 31.700 0.139 0.000 0.786 76 W N 0.067 121.399 121.300 0.053 0.000 2.436 76 W HA -0.108 4.552 4.660 -0.000 0.000 0.284 76 W C 1.602 178.155 176.519 0.057 0.000 1.225 76 W CA 0.549 57.946 57.345 0.088 0.000 1.271 76 W CB -0.007 29.531 29.460 0.129 0.000 1.114 76 W HN -0.158 nan 8.180 nan 0.000 0.559 77 R N 0.286 120.797 120.500 0.018 0.000 2.119 77 R HA -0.001 4.339 4.340 -0.000 0.000 0.222 77 R C 2.061 178.280 176.300 -0.136 0.000 1.088 77 R CA 0.798 56.802 56.100 -0.159 0.000 0.984 77 R CB -0.589 29.599 30.300 -0.186 0.000 0.884 77 R HN 0.291 nan 8.270 nan 0.000 0.447 78 R N -0.155 120.305 120.500 -0.067 0.000 2.200 78 R HA 0.156 4.496 4.340 -0.000 0.000 0.208 78 R C 1.124 177.386 176.300 -0.062 0.000 1.033 78 R CA -0.136 55.931 56.100 -0.055 0.000 1.000 78 R CB -0.024 30.261 30.300 -0.027 0.000 0.906 78 R HN 0.096 nan 8.270 nan 0.000 0.462 79 M N 2.341 121.903 119.600 -0.065 0.000 2.248 79 M HA -0.071 4.409 4.480 -0.000 0.000 0.343 79 M C -0.736 175.520 176.300 -0.073 0.000 1.243 79 M CA 0.477 55.743 55.300 -0.055 0.000 1.025 79 M CB 0.488 33.082 32.600 -0.010 0.000 1.759 79 M HN -0.048 nan 8.290 nan 0.000 0.452 80 D N 4.132 124.516 120.400 -0.028 0.000 2.443 80 D HA 0.074 4.714 4.640 -0.000 0.000 0.239 80 D C 0.841 177.143 176.300 0.003 0.000 1.136 80 D CA 0.534 54.530 54.000 -0.007 0.000 0.879 80 D CB 1.053 41.863 40.800 0.017 0.000 1.195 80 D HN 0.774 nan 8.370 nan 0.000 0.443 81 A N 2.465 125.279 122.820 -0.010 0.000 1.908 81 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 81 A C 2.134 179.735 177.584 0.029 0.000 1.181 81 A CA 2.276 54.309 52.037 -0.007 0.000 0.627 81 A CB -0.647 18.366 19.000 0.021 0.000 0.818 81 A HN 0.607 nan 8.150 nan 0.000 0.445 82 S N -1.189 114.539 115.700 0.046 0.000 2.419 82 S HA -0.257 4.213 4.470 -0.000 0.000 0.233 82 S C 1.826 176.463 174.600 0.062 0.000 1.016 82 S CA 1.658 59.888 58.200 0.051 0.000 0.974 82 S CB -0.697 62.533 63.200 0.049 0.000 0.786 82 S HN 0.741 nan 8.310 nan 0.000 0.492 83 H N 1.307 120.372 119.070 -0.010 0.000 2.428 83 H HA 0.253 4.809 4.556 -0.000 0.000 0.296 83 H C 2.319 177.651 175.328 0.006 0.000 1.062 83 H CA 1.333 57.376 56.048 -0.009 0.000 1.350 83 H CB -0.090 29.663 29.762 -0.014 0.000 1.403 83 H HN 0.342 nan 8.280 nan 0.000 0.533 84 R N -0.774 119.736 120.500 0.017 0.000 2.096 84 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 84 R C 2.450 178.790 176.300 0.066 0.000 1.127 84 R CA 1.065 57.201 56.100 0.060 0.000 0.968 84 R CB -0.352 29.954 30.300 0.010 0.000 0.861 84 R HN 0.440 nan 8.270 nan 0.000 0.440 85 G N 0.720 109.539 108.800 0.032 0.000 2.402 85 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 85 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 85 G C 1.365 176.252 174.900 -0.023 0.000 1.162 85 G CA 0.152 45.277 45.100 0.041 0.000 0.777 85 G HN 0.123 nan 8.290 nan 0.000 0.539 86 R N 0.237 120.664 120.500 -0.123 0.000 2.081 86 R HA 0.067 4.407 4.340 -0.000 0.000 0.235 86 R C 2.616 178.781 176.300 -0.224 0.000 1.131 86 R CA 0.582 56.571 56.100 -0.185 0.000 0.960 86 R CB -1.104 29.014 30.300 -0.304 0.000 0.856 86 R HN 0.388 nan 8.270 nan 0.000 0.436 87 L N 0.451 121.466 121.223 -0.347 0.000 2.046 87 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 87 L C 2.531 179.327 176.870 -0.123 0.000 1.077 87 L CA 1.070 55.640 54.840 -0.450 0.000 0.747 87 L CB -0.449 41.073 42.059 -0.895 0.000 0.896 87 L HN 0.136 nan 8.230 nan 0.000 0.432 88 L N -0.420 120.876 121.223 0.121 0.000 2.056 88 L HA -0.211 4.128 4.340 -0.000 0.000 0.207 88 L C 2.375 179.341 176.870 0.160 0.000 1.078 88 L CA 1.015 56.022 54.840 0.278 0.000 0.749 88 L CB -0.499 41.724 42.059 0.272 0.000 0.901 88 L HN 0.357 nan 8.230 nan 0.000 0.433 89 N N -0.110 118.637 118.700 0.079 0.000 2.244 89 N HA -0.196 4.544 4.740 -0.000 0.000 0.183 89 N C 1.927 177.464 175.510 0.045 0.000 1.016 89 N CA 0.918 54.001 53.050 0.056 0.000 0.866 89 N CB -0.161 38.340 38.487 0.023 0.000 0.980 89 N HN 0.166 nan 8.380 nan 0.000 0.430 90 R N 1.264 121.774 120.500 0.017 0.000 2.066 90 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 90 R C 2.067 178.403 176.300 0.061 0.000 1.131 90 R CA 0.855 56.962 56.100 0.012 0.000 0.955 90 R CB -0.994 29.278 30.300 -0.047 0.000 0.851 90 R HN 0.179 nan 8.270 nan 0.000 0.432 91 L N 0.287 121.584 121.223 0.123 0.000 2.083 91 L HA 0.028 4.368 4.340 -0.000 0.000 0.209 91 L C 2.070 179.009 176.870 0.114 0.000 1.083 91 L CA 2.193 57.131 54.840 0.163 0.000 0.752 91 L CB -0.854 41.374 42.059 0.281 0.000 0.899 91 L HN 0.275 nan 8.230 nan 0.000 0.433 92 A N -0.883 122.003 122.820 0.109 0.000 1.898 92 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 92 A C 1.997 179.623 177.584 0.070 0.000 1.181 92 A CA 1.759 53.850 52.037 0.090 0.000 0.620 92 A CB -0.749 18.307 19.000 0.092 0.000 0.819 92 A HN 0.524 nan 8.150 nan 0.000 0.442 93 D N 0.155 120.592 120.400 0.062 0.000 2.117 93 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 93 D C 1.966 178.300 176.300 0.057 0.000 0.987 93 D CA 0.966 54.997 54.000 0.052 0.000 0.829 93 D CB -0.316 40.509 40.800 0.040 0.000 0.961 93 D HN 0.446 nan 8.370 nan 0.000 0.460 94 L N 0.459 121.718 121.223 0.059 0.000 2.083 94 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 94 L C 2.524 179.445 176.870 0.086 0.000 1.083 94 L CA 0.674 55.551 54.840 0.061 0.000 0.752 94 L CB -0.245 41.841 42.059 0.045 0.000 0.899 94 L HN 0.016 nan 8.230 nan 0.000 0.433 95 I N -0.189 120.434 120.570 0.088 0.000 2.394 95 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 95 I C 2.551 178.723 176.117 0.093 0.000 1.136 95 I CA 1.133 62.498 61.300 0.109 0.000 1.425 95 I CB -0.104 37.949 38.000 0.089 0.000 1.079 95 I HN 0.317 nan 8.210 nan 0.000 0.425 96 E N 1.309 121.549 120.200 0.067 0.000 2.150 96 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 96 E C 2.368 179.013 176.600 0.075 0.000 0.985 96 E CA 0.881 57.309 56.400 0.048 0.000 0.814 96 E CB -0.015 29.709 29.700 0.040 0.000 0.752 96 E HN 0.249 nan 8.360 nan 0.000 0.466 97 R N 0.304 120.856 120.500 0.086 0.000 2.073 97 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 97 R C 0.416 176.793 176.300 0.128 0.000 1.134 97 R CA 1.796 57.952 56.100 0.094 0.000 0.952 97 R CB -0.024 30.322 30.300 0.077 0.000 0.850 97 R HN 0.143 nan 8.270 nan 0.000 0.433 98 D N 0.087 120.587 120.400 0.166 0.000 2.460 98 D HA 0.020 4.660 4.640 -0.000 0.000 0.229 98 D C 1.088 177.542 176.300 0.257 0.000 1.170 98 D CA -0.026 54.115 54.000 0.235 0.000 0.827 98 D CB 0.235 41.243 40.800 0.346 0.000 0.973 98 D HN 0.261 nan 8.370 nan 0.000 0.496 99 R N 0.708 121.316 120.500 0.180 0.000 2.094 99 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 99 R C 1.777 178.210 176.300 0.223 0.000 1.137 99 R CA 2.265 58.432 56.100 0.111 0.000 0.943 99 R CB -0.251 30.029 30.300 -0.032 0.000 0.850 99 R HN 0.173 nan 8.270 nan 0.000 0.433 100 T N -1.076 113.712 114.554 0.390 0.000 2.720 100 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 100 T C 1.768 176.718 174.700 0.417 0.000 1.037 100 T CA 1.547 63.956 62.100 0.516 0.000 1.144 100 T CB -0.816 68.302 68.868 0.416 0.000 0.864 100 T HN 0.488 nan 8.240 nan 0.000 0.444 101 Y N 2.200 122.618 120.300 0.197 0.000 2.114 101 Y HA 0.028 4.578 4.550 -0.000 0.000 0.284 101 Y C 2.178 178.141 175.900 0.105 0.000 1.143 101 Y CA 0.960 59.130 58.100 0.116 0.000 1.135 101 Y CB -0.588 37.885 38.460 0.023 0.000 0.980 101 Y HN 0.105 nan 8.280 nan 0.000 0.499 102 L N 0.035 121.301 121.223 0.073 0.000 2.042 102 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 102 L C 2.791 179.646 176.870 -0.024 0.000 1.076 102 L CA 1.273 56.094 54.840 -0.031 0.000 0.749 102 L CB -0.971 41.176 42.059 0.147 0.000 0.893 102 L HN 0.431 nan 8.230 nan 0.000 0.432 103 A N -0.222 122.645 122.820 0.080 0.000 1.933 103 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 103 A C 2.503 180.200 177.584 0.188 0.000 1.175 103 A CA 1.682 53.764 52.037 0.075 0.000 0.628 103 A CB -0.604 18.425 19.000 0.048 0.000 0.814 103 A HN 0.419 nan 8.150 nan 0.000 0.444 104 A N -0.611 122.411 122.820 0.337 0.000 1.898 104 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 104 A C 2.091 179.771 177.584 0.160 0.000 1.181 104 A CA 1.627 53.922 52.037 0.431 0.000 0.620 104 A CB -0.581 18.603 19.000 0.306 0.000 0.819 104 A HN 0.642 nan 8.150 nan 0.000 0.442 105 L N -0.061 121.089 121.223 -0.123 0.000 2.131 105 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 105 L C 2.168 178.983 176.870 -0.092 0.000 1.092 105 L CA 2.614 57.333 54.840 -0.201 0.000 0.759 105 L CB -0.607 41.174 42.059 -0.465 0.000 0.903 105 L HN 0.506 nan 8.230 nan 0.000 0.435 106 E N -1.036 119.123 120.200 -0.069 0.000 2.047 106 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 106 E C 2.020 178.564 176.600 -0.093 0.000 0.987 106 E CA 1.974 58.337 56.400 -0.062 0.000 0.799 106 E CB -0.337 29.331 29.700 -0.054 0.000 0.752 106 E HN 0.474 nan 8.360 nan 0.000 0.449 107 T N 0.883 115.369 114.554 -0.113 0.000 2.746 107 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 107 T C 1.733 176.279 174.700 -0.256 0.000 1.039 107 T CA 1.173 63.119 62.100 -0.256 0.000 1.142 107 T CB -0.371 68.217 68.868 -0.467 0.000 0.866 107 T HN 0.124 nan 8.240 nan 0.000 0.444 108 L N 1.286 122.448 121.223 -0.103 0.000 2.012 108 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 108 L C 2.073 178.919 176.870 -0.041 0.000 1.073 108 L CA 1.895 56.743 54.840 0.014 0.000 0.748 108 L CB -0.420 41.707 42.059 0.114 0.000 0.891 108 L HN 0.087 nan 8.230 nan 0.000 0.431 109 D N -1.560 118.809 120.400 -0.053 0.000 2.183 109 D HA -0.149 4.491 4.640 -0.000 0.000 0.205 109 D C 1.893 178.152 176.300 -0.069 0.000 0.962 109 D CA 0.820 54.792 54.000 -0.046 0.000 0.849 109 D CB 0.016 40.801 40.800 -0.025 0.000 0.978 109 D HN 0.446 nan 8.370 nan 0.000 0.488 110 N N -0.601 118.041 118.700 -0.097 0.000 2.368 110 N HA -0.041 4.699 4.740 -0.000 0.000 0.178 110 N C 1.349 176.751 175.510 -0.182 0.000 1.021 110 N CA 1.694 54.669 53.050 -0.125 0.000 0.875 110 N CB 0.780 39.193 38.487 -0.125 0.000 1.020 110 N HN 0.263 nan 8.380 nan 0.000 0.433 111 G N 1.364 110.043 108.800 -0.202 0.000 2.218 111 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 111 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 111 G C -0.104 174.650 174.900 -0.244 0.000 0.994 111 G CA 0.350 45.306 45.100 -0.239 0.000 0.637 111 G HN 0.667 nan 8.290 nan 0.000 0.505 112 K N 0.932 121.189 120.400 -0.239 0.000 2.355 112 K HA 0.501 4.821 4.320 -0.000 0.000 0.270 112 K C -2.672 173.817 176.600 -0.185 0.000 1.003 112 K CA -1.431 54.722 56.287 -0.224 0.000 0.957 112 K CB 0.603 32.944 32.500 -0.265 0.000 0.939 112 K HN 0.044 nan 8.250 nan 0.000 0.482 113 P HA -0.137 nan 4.420 nan 0.000 0.264 113 P C -0.308 176.971 177.300 -0.034 0.000 1.183 113 P CA 0.095 63.162 63.100 -0.055 0.000 0.763 113 P CB 0.122 31.830 31.700 0.013 0.000 0.807 114 Y N 4.590 124.805 120.300 -0.141 0.000 2.207 114 Y HA -0.254 4.296 4.550 -0.000 0.000 0.287 114 Y C 1.813 177.753 175.900 0.066 0.000 1.156 114 Y CA 1.719 59.786 58.100 -0.054 0.000 1.182 114 Y CB -0.753 37.728 38.460 0.036 0.000 0.979 114 Y HN 0.077 nan 8.280 nan 0.000 0.521 115 V N 0.476 120.429 119.914 0.065 0.000 2.287 115 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 115 V C 2.354 178.454 176.094 0.008 0.000 1.053 115 V CA 1.912 64.224 62.300 0.021 0.000 1.027 115 V CB -0.667 31.220 31.823 0.106 0.000 0.646 115 V HN 0.445 nan 8.190 nan 0.000 0.447 116 I N -0.397 120.196 120.570 0.039 0.000 2.315 116 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 116 I C 2.637 178.776 176.117 0.037 0.000 1.117 116 I CA 1.472 62.825 61.300 0.089 0.000 1.404 116 I CB -1.410 36.668 38.000 0.130 0.000 1.071 116 I HN 0.272 nan 8.210 nan 0.000 0.419 117 S N -0.181 115.488 115.700 -0.051 0.000 2.370 117 S HA -0.228 4.242 4.470 -0.000 0.000 0.226 117 S C 2.081 176.621 174.600 -0.100 0.000 1.033 117 S CA 1.355 59.506 58.200 -0.082 0.000 1.011 117 S CB -0.295 62.834 63.200 -0.118 0.000 0.852 117 S HN 0.467 nan 8.310 nan 0.000 0.457 118 Y N 1.270 121.380 120.300 -0.317 0.000 2.176 118 Y HA 0.128 4.678 4.550 -0.000 0.000 0.291 118 Y C 1.891 177.723 175.900 -0.113 0.000 1.122 118 Y CA 1.392 59.325 58.100 -0.279 0.000 1.128 118 Y CB -0.129 38.029 38.460 -0.504 0.000 1.005 118 Y HN 0.147 nan 8.280 nan 0.000 0.509 119 L N -1.286 120.000 121.223 0.105 0.000 2.341 119 L HA -0.069 4.271 4.340 -0.000 0.000 0.214 119 L C 1.595 178.494 176.870 0.049 0.000 1.115 119 L CA 0.352 55.247 54.840 0.092 0.000 0.820 119 L CB -0.130 42.013 42.059 0.139 0.000 0.944 119 L HN 0.184 nan 8.230 nan 0.000 0.452 120 V N -1.071 118.882 119.914 0.066 0.000 2.784 120 V HA -0.051 4.069 4.120 -0.000 0.000 0.231 120 V C 1.628 177.766 176.094 0.073 0.000 1.128 120 V CA 0.806 63.171 62.300 0.107 0.000 1.178 120 V CB -0.135 31.826 31.823 0.230 0.000 0.943 120 V HN 0.163 nan 8.190 nan 0.000 0.500 121 D N 0.726 121.172 120.400 0.077 0.000 2.137 121 D HA -0.216 4.424 4.640 -0.000 0.000 0.189 121 D C 1.927 178.209 176.300 -0.030 0.000 0.998 121 D CA 1.740 55.760 54.000 0.034 0.000 0.839 121 D CB -0.319 40.500 40.800 0.031 0.000 0.962 121 D HN 0.179 nan 8.370 nan 0.000 0.446 122 L N 0.201 121.383 121.223 -0.069 0.000 2.191 122 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 122 L C 1.791 178.611 176.870 -0.084 0.000 1.103 122 L CA 1.280 56.064 54.840 -0.094 0.000 0.769 122 L CB -0.365 41.596 42.059 -0.163 0.000 0.908 122 L HN 0.042 nan 8.230 nan 0.000 0.438 123 D N -0.670 119.681 120.400 -0.083 0.000 2.117 123 D HA -0.210 4.430 4.640 -0.000 0.000 0.198 123 D C 2.221 178.522 176.300 0.002 0.000 0.982 123 D CA 1.414 55.387 54.000 -0.045 0.000 0.828 123 D CB 0.067 40.853 40.800 -0.023 0.000 0.967 123 D HN 0.213 nan 8.370 nan 0.000 0.464 124 M N -0.448 119.158 119.600 0.011 0.000 2.254 124 M HA -0.075 4.405 4.480 -0.000 0.000 0.265 124 M C 2.140 178.466 176.300 0.042 0.000 1.066 124 M CA 0.509 55.831 55.300 0.037 0.000 1.123 124 M CB 0.084 32.696 32.600 0.020 0.000 1.388 124 M HN -0.004 nan 8.290 nan 0.000 0.425 125 V N 1.038 120.952 119.914 -0.000 0.000 2.358 125 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 125 V C 2.301 178.438 176.094 0.071 0.000 1.047 125 V CA 1.543 63.854 62.300 0.018 0.000 1.035 125 V CB -0.577 31.241 31.823 -0.009 0.000 0.658 125 V HN 0.445 nan 8.190 nan 0.000 0.452 126 L N -0.594 120.659 121.223 0.050 0.000 2.056 126 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 126 L C 2.579 179.505 176.870 0.093 0.000 1.078 126 L CA 1.651 56.529 54.840 0.064 0.000 0.749 126 L CB -0.641 41.437 42.059 0.031 0.000 0.901 126 L HN 0.255 nan 8.230 nan 0.000 0.433 127 K N -0.770 119.684 120.400 0.089 0.000 2.148 127 K HA -0.187 4.133 4.320 -0.000 0.000 0.204 127 K C 2.290 178.984 176.600 0.157 0.000 1.050 127 K CA 1.470 57.820 56.287 0.105 0.000 0.942 127 K CB -0.402 32.145 32.500 0.079 0.000 0.724 127 K HN 0.400 nan 8.250 nan 0.000 0.446 128 C N 1.234 120.652 119.300 0.197 0.000 2.462 128 C HA -0.034 4.426 4.460 -0.000 0.000 0.278 128 C C 2.478 177.694 174.990 0.377 0.000 1.253 128 C CA 0.484 59.688 59.018 0.310 0.000 1.713 128 C CB -0.908 27.080 27.740 0.412 0.000 2.049 128 C HN 0.391 nan 8.230 nan 0.000 0.477 129 L N 0.368 121.764 121.223 0.289 0.000 2.046 129 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 129 L C 3.010 180.027 176.870 0.246 0.000 1.077 129 L CA 1.760 56.764 54.840 0.274 0.000 0.747 129 L CB -0.695 41.478 42.059 0.190 0.000 0.896 129 L HN 0.362 nan 8.230 nan 0.000 0.432 130 R N -1.439 119.173 120.500 0.187 0.000 2.148 130 R HA -0.187 4.153 4.340 -0.000 0.000 0.227 130 R C 2.218 178.593 176.300 0.125 0.000 1.103 130 R CA 1.277 57.458 56.100 0.134 0.000 0.983 130 R CB -0.349 30.010 30.300 0.098 0.000 0.874 130 R HN 0.296 nan 8.270 nan 0.000 0.451 131 Y N 0.096 120.399 120.300 0.005 0.000 2.133 131 Y HA -0.241 4.309 4.550 -0.000 0.000 0.287 131 Y C 1.615 177.443 175.900 -0.119 0.000 1.134 131 Y CA 1.453 59.481 58.100 -0.119 0.000 1.133 131 Y CB -0.420 37.918 38.460 -0.204 0.000 0.987 131 Y HN -0.020 nan 8.280 nan 0.000 0.502 132 Y N -0.200 120.248 120.300 0.246 0.000 2.421 132 Y HA -0.139 4.411 4.550 -0.000 0.000 0.292 132 Y C 2.542 178.513 175.900 0.117 0.000 1.136 132 Y CA 0.604 58.823 58.100 0.198 0.000 1.255 132 Y CB -0.436 38.174 38.460 0.251 0.000 0.991 132 Y HN 0.295 nan 8.280 nan 0.000 0.552 133 A N 0.082 123.021 122.820 0.199 0.000 1.902 133 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 133 A C 2.509 180.119 177.584 0.043 0.000 1.181 133 A CA 1.697 53.813 52.037 0.131 0.000 0.623 133 A CB -1.370 17.686 19.000 0.094 0.000 0.818 133 A HN 0.453 nan 8.150 nan 0.000 0.443 134 G N -2.428 106.323 108.800 -0.081 0.000 2.471 134 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.219 134 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.219 134 G C 1.344 176.103 174.900 -0.236 0.000 1.125 134 G CA 0.648 45.622 45.100 -0.209 0.000 0.775 134 G HN 0.685 nan 8.290 nan 0.000 0.548 135 W N 0.456 121.660 121.300 -0.161 0.000 2.576 135 W HA 0.275 4.935 4.660 -0.000 0.000 0.270 135 W C 2.768 179.274 176.519 -0.021 0.000 1.255 135 W CA 0.199 57.474 57.345 -0.117 0.000 1.314 135 W CB 0.310 29.715 29.460 -0.092 0.000 1.101 135 W HN 0.245 nan 8.180 nan 0.000 0.595 136 A N 1.206 124.183 122.820 0.261 0.000 1.940 136 A HA -0.310 4.010 4.320 -0.000 0.000 0.221 136 A C 1.247 178.918 177.584 0.145 0.000 1.190 136 A CA 2.525 54.669 52.037 0.178 0.000 0.647 136 A CB -0.890 18.185 19.000 0.125 0.000 0.821 136 A HN 0.388 nan 8.150 nan 0.000 0.457 137 D N -2.508 117.964 120.400 0.120 0.000 2.593 137 D HA 0.239 4.879 4.640 -0.000 0.000 0.241 137 D C 0.465 176.817 176.300 0.086 0.000 1.257 137 D CA -0.047 54.008 54.000 0.093 0.000 0.828 137 D CB 0.052 40.890 40.800 0.063 0.000 1.049 137 D HN 0.481 nan 8.370 nan 0.000 0.490 138 K N -0.630 119.843 120.400 0.122 0.000 2.517 138 K HA 0.062 4.382 4.320 -0.000 0.000 0.210 138 K C -0.541 175.992 176.600 -0.112 0.000 1.166 138 K CA -0.512 55.760 56.287 -0.025 0.000 1.030 138 K CB 0.849 33.357 32.500 0.013 0.000 0.974 138 K HN -0.027 nan 8.250 nan 0.000 0.585 139 Y N 2.994 123.246 120.300 -0.081 0.000 2.691 139 Y HA 0.164 4.714 4.550 -0.000 0.000 0.338 139 Y C -0.420 175.383 175.900 -0.161 0.000 1.148 139 Y CA -1.341 56.683 58.100 -0.127 0.000 1.430 139 Y CB -0.837 37.586 38.460 -0.061 0.000 1.303 139 Y HN 0.086 nan 8.280 nan 0.000 0.499 140 H N 1.499 120.490 119.070 -0.131 0.000 2.690 140 H HA 0.464 5.020 4.556 -0.000 0.000 0.365 140 H C 0.820 175.729 175.328 -0.699 0.000 1.142 140 H CA 0.083 55.959 56.048 -0.287 0.000 1.417 140 H CB 0.890 30.575 29.762 -0.128 0.000 1.446 140 H HN 0.742 nan 8.280 nan 0.000 0.599 141 G N 0.519 109.031 108.800 -0.479 0.000 2.557 141 G HA2 0.485 4.445 3.960 -0.000 0.000 0.302 141 G HA3 0.485 4.445 3.960 -0.000 0.000 0.302 141 G C -0.834 173.932 174.900 -0.222 0.000 1.311 141 G CA -0.949 43.772 45.100 -0.632 0.000 1.030 141 G HN 0.550 nan 8.290 nan 0.000 0.509 142 K N -0.736 119.605 120.400 -0.099 0.000 2.340 142 K HA 0.578 4.897 4.320 -0.000 0.000 0.244 142 K C -0.873 175.748 176.600 0.036 0.000 0.973 142 K CA -0.731 55.544 56.287 -0.021 0.000 0.828 142 K CB 2.050 34.549 32.500 -0.003 0.000 1.226 142 K HN 0.579 nan 8.250 nan 0.000 0.437 143 T N -0.954 113.634 114.554 0.056 0.000 2.772 143 T HA 0.542 4.892 4.350 -0.000 0.000 0.288 143 T C -0.038 174.712 174.700 0.084 0.000 0.994 143 T CA -0.747 61.420 62.100 0.111 0.000 0.951 143 T CB -0.101 68.887 68.868 0.200 0.000 0.933 143 T HN 0.381 nan 8.240 nan 0.000 0.447 144 I N 5.435 126.040 120.570 0.058 0.000 2.359 144 I HA 0.342 4.512 4.170 -0.000 0.000 0.294 144 I C -1.758 174.403 176.117 0.074 0.000 0.987 144 I CA -2.788 58.539 61.300 0.045 0.000 1.225 144 I CB 2.092 40.096 38.000 0.006 0.000 1.366 144 I HN 0.475 nan 8.210 nan 0.000 0.466 145 P HA 0.161 nan 4.420 nan 0.000 0.230 145 P C -0.060 177.282 177.300 0.071 0.000 1.791 145 P CA 0.095 63.243 63.100 0.081 0.000 1.020 145 P CB 0.174 31.911 31.700 0.061 0.000 1.977 146 I N 1.092 121.710 120.570 0.079 0.000 2.882 146 I HA 0.075 4.245 4.170 -0.000 0.000 0.286 146 I C 0.301 176.482 176.117 0.107 0.000 1.139 146 I CA -0.155 61.185 61.300 0.067 0.000 1.379 146 I CB 0.711 38.733 38.000 0.038 0.000 1.410 146 I HN 0.035 nan 8.210 nan 0.000 0.594 147 D N 4.480 124.935 120.400 0.092 0.000 2.382 147 D HA 0.410 5.050 4.640 -0.000 0.000 0.240 147 D C 0.362 176.795 176.300 0.222 0.000 1.146 147 D CA 1.178 55.248 54.000 0.115 0.000 0.897 147 D CB 0.840 41.688 40.800 0.080 0.000 1.197 147 D HN 0.939 nan 8.370 nan 0.000 0.432 148 G N 1.480 110.393 108.800 0.188 0.000 2.796 148 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.571 148 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.571 148 G C -0.808 174.138 174.900 0.078 0.000 1.370 148 G CA -0.731 44.494 45.100 0.209 0.000 0.856 148 G HN 0.512 nan 8.290 nan 0.000 0.538 149 D N 0.947 121.187 120.400 -0.266 0.000 2.619 149 D HA 0.491 5.131 4.640 -0.000 0.000 0.224 149 D C -0.104 175.768 176.300 -0.714 0.000 1.133 149 D CA 0.944 54.714 54.000 -0.384 0.000 1.017 149 D CB -0.403 40.184 40.800 -0.355 0.000 1.077 149 D HN 0.271 nan 8.370 nan 0.000 0.503 150 F N 0.383 120.379 119.950 0.077 0.000 2.626 150 F HA 0.402 4.929 4.527 -0.000 0.000 0.311 150 F C -0.480 175.435 175.800 0.192 0.000 1.088 150 F CA -1.450 56.614 58.000 0.107 0.000 0.949 150 F CB 1.734 40.769 39.000 0.058 0.000 1.322 150 F HN -0.124 nan 8.300 nan 0.000 0.461 151 F N 1.988 122.089 119.950 0.252 0.000 2.403 151 F HA 0.663 5.190 4.527 -0.000 0.000 0.355 151 F C -0.658 175.267 175.800 0.208 0.000 1.119 151 F CA -0.966 57.147 58.000 0.189 0.000 1.007 151 F CB 1.125 40.222 39.000 0.162 0.000 1.194 151 F HN 0.251 nan 8.300 nan 0.000 0.443 152 S N 6.505 122.131 115.700 -0.124 0.000 2.482 152 S HA 0.795 5.265 4.470 -0.000 0.000 0.303 152 S C -1.382 173.032 174.600 -0.311 0.000 1.091 152 S CA -0.297 57.736 58.200 -0.278 0.000 1.057 152 S CB 0.686 63.810 63.200 -0.126 0.000 1.031 152 S HN 0.679 nan 8.310 nan 0.000 0.485 153 Y N 0.117 120.144 120.300 -0.454 0.000 2.625 153 Y HA 0.790 5.340 4.550 -0.000 0.000 0.338 153 Y C -0.590 175.197 175.900 -0.187 0.000 1.123 153 Y CA -1.093 56.813 58.100 -0.323 0.000 1.046 153 Y CB 0.874 39.086 38.460 -0.414 0.000 1.299 153 Y HN 0.528 nan 8.280 nan 0.000 0.464 154 T N -0.217 114.368 114.554 0.052 0.000 2.887 154 T HA 0.724 5.074 4.350 -0.000 0.000 0.288 154 T C -0.922 173.838 174.700 0.101 0.000 1.021 154 T CA -1.038 61.069 62.100 0.013 0.000 1.000 154 T CB 2.007 70.898 68.868 0.038 0.000 1.034 154 T HN 0.825 nan 8.240 nan 0.000 0.467 155 R N 0.782 121.346 120.500 0.107 0.000 2.494 155 R HA 0.358 4.698 4.340 -0.000 0.000 0.305 155 R C -0.578 175.849 176.300 0.212 0.000 0.959 155 R CA -0.730 55.444 56.100 0.124 0.000 0.864 155 R CB 1.286 31.662 30.300 0.127 0.000 1.159 155 R HN 0.745 nan 8.270 nan 0.000 0.446 156 H N 2.312 121.379 119.070 -0.004 0.000 2.741 156 H HA 0.143 4.699 4.556 -0.000 0.000 0.282 156 H C -0.358 175.009 175.328 0.066 0.000 1.122 156 H CA -0.401 55.648 56.048 0.002 0.000 1.293 156 H CB 1.038 30.743 29.762 -0.095 0.000 1.415 156 H HN 0.363 nan 8.280 nan 0.000 0.472 157 E N 4.189 124.496 120.200 0.179 0.000 2.250 157 E HA 0.229 4.579 4.350 -0.000 0.000 0.269 157 E C -2.442 174.270 176.600 0.186 0.000 1.018 157 E CA -2.226 54.270 56.400 0.160 0.000 0.873 157 E CB 1.129 30.909 29.700 0.133 0.000 1.134 157 E HN 0.378 nan 8.360 nan 0.000 0.403 158 P HA -0.056 nan 4.420 nan 0.000 0.271 158 P C 0.518 177.950 177.300 0.219 0.000 1.218 158 P CA -0.025 63.237 63.100 0.271 0.000 0.780 158 P CB 0.735 32.704 31.700 0.448 0.000 0.901 159 V N 1.819 121.800 119.914 0.113 0.000 2.667 159 V HA 0.087 4.207 4.120 -0.000 0.000 0.252 159 V C 1.069 177.101 176.094 -0.104 0.000 1.065 159 V CA 2.568 64.882 62.300 0.023 0.000 1.083 159 V CB -1.120 30.694 31.823 -0.015 0.000 0.692 159 V HN 0.965 nan 8.190 nan 0.000 0.468 160 G N -0.779 107.810 108.800 -0.351 0.000 2.541 160 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.208 160 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.208 160 G C -0.412 174.070 174.900 -0.697 0.000 1.191 160 G CA -0.229 44.255 45.100 -1.027 0.000 1.217 160 G HN 0.521 nan 8.290 nan 0.000 0.566 161 V N 1.273 120.922 119.914 -0.442 0.000 2.387 161 V HA 0.402 4.522 4.120 -0.000 0.000 0.260 161 V C 0.462 176.481 176.094 -0.125 0.000 1.054 161 V CA -0.163 61.998 62.300 -0.232 0.000 0.967 161 V CB 0.223 31.951 31.823 -0.159 0.000 1.036 161 V HN 0.797 nan 8.190 nan 0.000 0.481 162 C N 4.901 124.162 119.300 -0.064 0.000 2.273 162 C HA 0.671 5.131 4.460 -0.000 0.000 0.328 162 C C 1.100 176.101 174.990 0.017 0.000 1.275 162 C CA -0.891 58.135 59.018 0.013 0.000 1.704 162 C CB 0.284 28.111 27.740 0.144 0.000 2.326 162 C HN 0.986 nan 8.230 nan 0.000 0.517 163 G N 3.134 111.944 108.800 0.017 0.000 2.339 163 G HA2 0.503 4.463 3.960 -0.000 0.000 0.287 163 G HA3 0.503 4.463 3.960 -0.000 0.000 0.287 163 G C -0.764 174.177 174.900 0.068 0.000 1.163 163 G CA -0.132 44.985 45.100 0.028 0.000 0.872 163 G HN 0.812 nan 8.290 nan 0.000 0.464 164 Q N 1.764 121.607 119.800 0.072 0.000 2.327 164 Q HA 0.390 4.730 4.340 -0.000 0.000 0.270 164 Q C -0.677 175.378 176.000 0.092 0.000 1.022 164 Q CA -0.398 55.461 55.803 0.092 0.000 0.773 164 Q CB 2.574 31.363 28.738 0.085 0.000 1.251 164 Q HN 0.529 nan 8.270 nan 0.000 0.457 165 I N 5.063 125.706 120.570 0.121 0.000 2.330 165 I HA 0.435 4.605 4.170 -0.000 0.000 0.289 165 I C -0.016 176.114 176.117 0.022 0.000 1.001 165 I CA -0.753 60.627 61.300 0.134 0.000 1.193 165 I CB 0.710 38.892 38.000 0.303 0.000 1.345 165 I HN 0.516 nan 8.210 nan 0.000 0.461 166 I N 5.442 126.018 120.570 0.011 0.000 2.693 166 I HA 0.719 4.889 4.170 -0.000 0.000 0.303 166 I C -2.572 173.513 176.117 -0.053 0.000 1.025 166 I CA -2.278 58.992 61.300 -0.050 0.000 1.086 166 I CB 2.072 40.070 38.000 -0.002 0.000 1.268 166 I HN 0.232 nan 8.210 nan 0.000 0.440 167 P HA 0.104 nan 4.420 nan 0.000 0.297 167 P C -0.121 177.134 177.300 -0.074 0.000 1.303 167 P CA -0.039 62.942 63.100 -0.199 0.000 0.753 167 P CB 0.568 32.055 31.700 -0.355 0.000 1.281 168 W N -0.100 121.217 121.300 0.028 0.000 3.058 168 W HA 0.063 4.723 4.660 -0.000 0.000 0.306 168 W C 1.026 177.481 176.519 -0.108 0.000 1.188 168 W CA 0.147 57.480 57.345 -0.020 0.000 1.651 168 W CB -1.455 27.997 29.460 -0.012 0.000 1.051 168 W HN 0.194 nan 8.180 nan 0.000 0.592 169 N N 2.167 120.768 118.700 -0.165 0.000 2.223 169 N HA -0.199 4.541 4.740 -0.000 0.000 0.185 169 N C -0.091 175.063 175.510 -0.594 0.000 1.016 169 N CA 0.999 53.879 53.050 -0.282 0.000 0.863 169 N CB -1.119 37.044 38.487 -0.541 0.000 0.983 169 N HN 0.129 nan 8.380 nan 0.000 0.429 170 F N -0.602 119.258 119.950 -0.150 0.000 2.708 170 F HA 0.409 4.936 4.527 -0.000 0.000 0.344 170 F C -1.837 173.866 175.800 -0.161 0.000 1.447 170 F CA -2.035 55.849 58.000 -0.193 0.000 1.140 170 F CB 2.039 40.847 39.000 -0.320 0.000 1.657 170 F HN -0.187 nan 8.300 nan 0.000 0.598 171 P HA -0.243 nan 4.420 nan 0.000 0.214 171 P C 1.919 179.223 177.300 0.006 0.000 1.172 171 P CA 1.834 64.953 63.100 0.031 0.000 0.925 171 P CB 0.397 32.120 31.700 0.038 0.000 0.793 172 L N -2.146 119.073 121.223 -0.007 0.000 2.027 172 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 172 L C 2.477 179.294 176.870 -0.089 0.000 1.074 172 L CA 0.962 55.789 54.840 -0.022 0.000 0.745 172 L CB -1.008 41.045 42.059 -0.009 0.000 0.898 172 L HN -0.015 nan 8.230 nan 0.000 0.433 173 L N -0.780 120.343 121.223 -0.167 0.000 2.046 173 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 173 L C 2.462 179.000 176.870 -0.553 0.000 1.077 173 L CA 1.795 56.370 54.840 -0.442 0.000 0.747 173 L CB -0.410 41.262 42.059 -0.645 0.000 0.896 173 L HN 0.178 nan 8.230 nan 0.000 0.432 174 M N -0.778 118.621 119.600 -0.335 0.000 2.159 174 M HA -0.221 4.259 4.480 -0.000 0.000 0.263 174 M C 2.285 178.579 176.300 -0.009 0.000 1.063 174 M CA 1.653 56.868 55.300 -0.142 0.000 1.110 174 M CB -0.723 31.845 32.600 -0.052 0.000 1.374 174 M HN 0.475 nan 8.290 nan 0.000 0.411 175 Q N -0.959 118.825 119.800 -0.026 0.000 2.079 175 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 175 Q C 1.911 177.925 176.000 0.023 0.000 0.974 175 Q CA 1.823 57.630 55.803 0.006 0.000 0.840 175 Q CB -0.127 28.611 28.738 0.000 0.000 0.898 175 Q HN 0.530 nan 8.270 nan 0.000 0.430 176 A N 0.067 122.896 122.820 0.016 0.000 1.902 176 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 176 A C 1.559 179.280 177.584 0.228 0.000 1.181 176 A CA 1.196 53.285 52.037 0.087 0.000 0.623 176 A CB -1.111 17.932 19.000 0.071 0.000 0.818 176 A HN 0.632 nan 8.150 nan 0.000 0.443 177 W N 0.362 121.669 121.300 0.012 0.000 2.421 177 W HA -0.041 4.619 4.660 -0.000 0.000 0.270 177 W C 1.971 178.460 176.519 -0.050 0.000 1.233 177 W CA 1.274 58.630 57.345 0.018 0.000 1.226 177 W CB -0.194 29.271 29.460 0.008 0.000 1.121 177 W HN 0.268 nan 8.180 nan 0.000 0.579 178 K N -0.561 119.931 120.400 0.154 0.000 2.168 178 K HA 0.122 4.442 4.320 -0.000 0.000 0.201 178 K C 2.070 178.581 176.600 -0.149 0.000 1.049 178 K CA 0.480 56.777 56.287 0.017 0.000 0.974 178 K CB -0.839 31.701 32.500 0.065 0.000 0.792 178 K HN 0.184 nan 8.250 nan 0.000 0.463 179 L N 0.524 121.692 121.223 -0.091 0.000 2.093 179 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 179 L C 2.418 179.189 176.870 -0.165 0.000 1.085 179 L CA 1.333 56.090 54.840 -0.138 0.000 0.755 179 L CB -1.034 40.963 42.059 -0.103 0.000 0.904 179 L HN 0.256 nan 8.230 nan 0.000 0.435 180 G N 1.394 110.119 108.800 -0.125 0.000 2.587 180 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 180 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 180 G C -0.473 174.113 174.900 -0.522 0.000 1.240 180 G CA 1.140 46.153 45.100 -0.146 0.000 0.794 180 G HN 0.303 nan 8.290 nan 0.000 0.580 181 P HA -0.062 nan 4.420 nan 0.000 0.216 181 P C 2.095 178.976 177.300 -0.697 0.000 1.153 181 P CA 2.195 64.714 63.100 -0.969 0.000 0.848 181 P CB -0.233 30.923 31.700 -0.906 0.000 0.787 182 A N 0.564 122.833 122.820 -0.919 0.000 1.865 182 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 182 A C 2.502 179.991 177.584 -0.157 0.000 1.191 182 A CA 1.792 53.401 52.037 -0.714 0.000 0.623 182 A CB -1.640 17.015 19.000 -0.576 0.000 0.826 182 A HN 0.145 nan 8.150 nan 0.000 0.444 183 L N -1.107 120.084 121.223 -0.053 0.000 2.109 183 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 183 L C 3.037 180.080 176.870 0.287 0.000 1.086 183 L CA 0.797 55.789 54.840 0.253 0.000 0.760 183 L CB -0.594 41.599 42.059 0.222 0.000 0.910 183 L HN 0.428 nan 8.230 nan 0.000 0.437 184 A N 0.392 123.293 122.820 0.135 0.000 1.933 184 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 184 A C 2.248 179.900 177.584 0.112 0.000 1.175 184 A CA 2.165 54.296 52.037 0.157 0.000 0.628 184 A CB -0.847 18.270 19.000 0.196 0.000 0.814 184 A HN 0.503 nan 8.150 nan 0.000 0.444 185 T N -4.290 110.307 114.554 0.072 0.000 3.144 185 T HA 0.416 4.766 4.350 -0.000 0.000 0.249 185 T C 1.206 175.978 174.700 0.119 0.000 1.089 185 T CA 0.950 63.110 62.100 0.099 0.000 0.989 185 T CB -0.061 68.866 68.868 0.099 0.000 0.992 185 T HN 1.704 nan 8.240 nan 0.000 0.540 186 G N 1.524 110.394 108.800 0.116 0.000 2.137 186 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.237 186 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.237 186 G C -0.042 175.128 174.900 0.450 0.000 1.002 186 G CA -0.241 44.892 45.100 0.055 0.000 0.702 186 G HN 0.591 nan 8.290 nan 0.000 0.515 187 N N -0.627 118.347 118.700 0.458 0.000 2.413 187 N HA 0.601 5.341 4.740 -0.000 0.000 0.266 187 N C 0.523 176.297 175.510 0.441 0.000 1.238 187 N CA 0.473 53.744 53.050 0.368 0.000 0.972 187 N CB 1.796 40.394 38.487 0.186 0.000 1.210 187 N HN 0.722 nan 8.380 nan 0.000 0.547 188 V N -2.005 118.001 119.914 0.154 0.000 2.715 188 V HA 0.741 4.861 4.120 -0.000 0.000 0.310 188 V C -0.140 175.929 176.094 -0.041 0.000 1.054 188 V CA -0.730 61.589 62.300 0.032 0.000 0.928 188 V CB 1.621 33.468 31.823 0.040 0.000 1.007 188 V HN 0.246 nan 8.190 nan 0.000 0.437 189 V N 2.981 122.848 119.914 -0.079 0.000 2.823 189 V HA 0.626 4.746 4.120 -0.000 0.000 0.312 189 V C -0.513 175.544 176.094 -0.061 0.000 1.072 189 V CA -0.569 61.695 62.300 -0.060 0.000 0.937 189 V CB 2.217 34.001 31.823 -0.065 0.000 1.013 189 V HN 0.796 nan 8.190 nan 0.000 0.430 190 V N 4.783 124.673 119.914 -0.040 0.000 2.340 190 V HA 0.419 4.539 4.120 -0.000 0.000 0.277 190 V C -0.214 175.880 176.094 0.000 0.000 1.017 190 V CA -0.182 62.097 62.300 -0.035 0.000 0.820 190 V CB 1.301 33.085 31.823 -0.065 0.000 1.028 190 V HN 0.894 nan 8.190 nan 0.000 0.436 191 M N 4.702 124.312 119.600 0.017 0.000 2.209 191 M HA 0.534 5.014 4.480 -0.000 0.000 0.355 191 M C -0.434 175.902 176.300 0.060 0.000 1.171 191 M CA -0.438 54.885 55.300 0.038 0.000 1.069 191 M CB 1.046 33.663 32.600 0.029 0.000 1.622 191 M HN 0.341 nan 8.290 nan 0.000 0.459 192 K N 5.558 126.001 120.400 0.072 0.000 2.389 192 K HA 0.367 4.687 4.320 -0.000 0.000 0.261 192 K C -1.259 175.398 176.600 0.094 0.000 1.014 192 K CA -0.378 55.960 56.287 0.085 0.000 0.920 192 K CB 0.704 33.259 32.500 0.092 0.000 1.149 192 K HN 0.671 nan 8.250 nan 0.000 0.444 193 V N 0.942 120.918 119.914 0.103 0.000 2.904 193 V HA 0.587 4.707 4.120 -0.000 0.000 0.305 193 V C 0.578 176.752 176.094 0.134 0.000 1.067 193 V CA -1.213 61.155 62.300 0.113 0.000 1.044 193 V CB 0.973 32.870 31.823 0.122 0.000 1.050 193 V HN 0.697 nan 8.190 nan 0.000 0.475 194 A N 2.881 125.793 122.820 0.154 0.000 2.520 194 A HA 0.239 4.559 4.320 -0.000 0.000 0.245 194 A C 1.359 179.069 177.584 0.210 0.000 1.072 194 A CA 0.273 52.435 52.037 0.208 0.000 0.761 194 A CB -0.001 19.179 19.000 0.300 0.000 1.004 194 A HN 1.114 nan 8.150 nan 0.000 0.499 195 E N 2.337 122.637 120.200 0.167 0.000 2.265 195 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 195 E C 0.941 177.708 176.600 0.277 0.000 0.996 195 E CA 1.661 58.131 56.400 0.116 0.000 0.832 195 E CB -0.228 29.406 29.700 -0.111 0.000 0.756 195 E HN 0.839 nan 8.360 nan 0.000 0.491 196 Q N 0.675 120.595 119.800 0.201 0.000 2.269 196 Q HA 0.020 4.360 4.340 -0.000 0.000 0.201 196 Q C 0.663 176.729 176.000 0.109 0.000 0.946 196 Q CA 1.592 57.456 55.803 0.102 0.000 0.877 196 Q CB 0.520 29.193 28.738 -0.109 0.000 0.963 196 Q HN 0.445 nan 8.270 nan 0.000 0.472 197 T N -3.488 111.166 114.554 0.166 0.000 3.734 197 T HA 0.279 4.629 4.350 -0.000 0.000 0.238 197 T C -2.468 172.313 174.700 0.135 0.000 1.205 197 T CA -1.231 60.945 62.100 0.126 0.000 1.606 197 T CB 1.032 69.973 68.868 0.122 0.000 0.832 197 T HN -0.047 nan 8.240 nan 0.000 0.655 198 P HA 0.209 nan 4.420 nan 0.000 0.239 198 P C 1.629 178.997 177.300 0.113 0.000 1.188 198 P CA -0.151 63.040 63.100 0.151 0.000 0.794 198 P CB 0.374 32.202 31.700 0.212 0.000 0.937 199 L N 0.646 121.914 121.223 0.075 0.000 1.956 199 L HA -0.186 4.154 4.340 -0.000 0.000 0.216 199 L C 2.841 179.778 176.870 0.111 0.000 1.073 199 L CA 2.926 57.804 54.840 0.064 0.000 0.762 199 L CB -2.204 39.863 42.059 0.013 0.000 0.889 199 L HN 0.104 nan 8.230 nan 0.000 0.433 200 T N -1.884 112.722 114.554 0.088 0.000 2.720 200 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 200 T C 1.944 176.740 174.700 0.161 0.000 1.037 200 T CA 1.163 63.337 62.100 0.123 0.000 1.144 200 T CB -0.607 68.300 68.868 0.065 0.000 0.864 200 T HN 0.362 nan 8.240 nan 0.000 0.444 201 A N 1.784 124.674 122.820 0.117 0.000 1.908 201 A HA 0.113 4.433 4.320 -0.000 0.000 0.218 201 A C 2.494 180.143 177.584 0.107 0.000 1.181 201 A CA 1.499 53.591 52.037 0.093 0.000 0.627 201 A CB -0.949 18.101 19.000 0.082 0.000 0.818 201 A HN 0.559 nan 8.150 nan 0.000 0.445 202 L N -2.330 118.995 121.223 0.170 0.000 2.093 202 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 202 L C 2.583 179.629 176.870 0.294 0.000 1.085 202 L CA 1.585 56.584 54.840 0.266 0.000 0.755 202 L CB -0.591 41.631 42.059 0.272 0.000 0.904 202 L HN 0.576 nan 8.230 nan 0.000 0.435 203 Y N 0.230 120.619 120.300 0.149 0.000 2.242 203 Y HA -0.184 4.366 4.550 -0.000 0.000 0.291 203 Y C 2.362 178.327 175.900 0.109 0.000 1.137 203 Y CA 1.225 59.427 58.100 0.169 0.000 1.181 203 Y CB -0.202 38.410 38.460 0.252 0.000 0.989 203 Y HN -0.165 nan 8.280 nan 0.000 0.527 204 V N 0.289 120.229 119.914 0.043 0.000 2.490 204 V HA -0.319 3.801 4.120 -0.000 0.000 0.250 204 V C 2.634 178.595 176.094 -0.221 0.000 1.061 204 V CA 1.620 63.875 62.300 -0.074 0.000 1.064 204 V CB -1.498 30.324 31.823 -0.001 0.000 0.670 204 V HN 0.552 nan 8.190 nan 0.000 0.461 205 A N 0.281 122.921 122.820 -0.301 0.000 1.933 205 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 205 A C 2.057 179.169 177.584 -0.787 0.000 1.175 205 A CA 2.319 53.899 52.037 -0.762 0.000 0.628 205 A CB -0.797 17.483 19.000 -1.200 0.000 0.814 205 A HN 0.597 nan 8.150 nan 0.000 0.444 206 N N -0.151 118.327 118.700 -0.371 0.000 2.166 206 N HA -0.052 4.688 4.740 -0.000 0.000 0.186 206 N C 1.515 176.902 175.510 -0.204 0.000 1.019 206 N CA 1.306 54.260 53.050 -0.160 0.000 0.856 206 N CB -0.297 38.136 38.487 -0.090 0.000 0.993 206 N HN 0.492 nan 8.380 nan 0.000 0.426 207 L N -0.147 120.904 121.223 -0.287 0.000 2.217 207 L HA -0.026 4.314 4.340 -0.000 0.000 0.211 207 L C 1.925 178.776 176.870 -0.030 0.000 1.107 207 L CA 0.577 55.319 54.840 -0.163 0.000 0.783 207 L CB -0.307 41.662 42.059 -0.150 0.000 0.919 207 L HN 0.238 nan 8.230 nan 0.000 0.442 208 I N 0.155 120.687 120.570 -0.063 0.000 2.315 208 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 208 I C 2.718 178.955 176.117 0.201 0.000 1.117 208 I CA 1.277 62.615 61.300 0.064 0.000 1.404 208 I CB -0.195 37.707 38.000 -0.163 0.000 1.071 208 I HN 0.262 nan 8.210 nan 0.000 0.419 209 K N 1.149 121.615 120.400 0.110 0.000 2.025 209 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 209 K C 2.100 178.764 176.600 0.107 0.000 1.049 209 K CA 1.535 57.917 56.287 0.159 0.000 0.933 209 K CB -0.080 32.525 32.500 0.175 0.000 0.714 209 K HN 0.218 nan 8.250 nan 0.000 0.438 210 E N -0.173 120.064 120.200 0.061 0.000 2.153 210 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 210 E C 1.599 178.226 176.600 0.044 0.000 0.988 210 E CA 0.873 57.295 56.400 0.037 0.000 0.811 210 E CB -0.044 29.655 29.700 -0.001 0.000 0.746 210 E HN 0.453 nan 8.360 nan 0.000 0.466 211 A N -0.050 122.817 122.820 0.078 0.000 2.066 211 A HA 0.068 4.388 4.320 -0.000 0.000 0.218 211 A C 1.842 179.402 177.584 -0.040 0.000 1.157 211 A CA 1.388 53.452 52.037 0.045 0.000 0.670 211 A CB -0.304 18.779 19.000 0.139 0.000 0.804 211 A HN 0.484 nan 8.150 nan 0.000 0.453 212 G N -2.806 106.004 108.800 0.017 0.000 2.168 212 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.197 212 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.197 212 G C 0.008 174.896 174.900 -0.020 0.000 0.997 212 G CA -0.226 44.867 45.100 -0.012 0.000 0.658 212 G HN 0.280 nan 8.290 nan 0.000 0.513 213 F N 1.934 121.897 119.950 0.022 0.000 2.578 213 F HA 0.385 4.912 4.527 -0.000 0.000 0.376 213 F C -1.051 174.714 175.800 -0.058 0.000 1.085 213 F CA -1.152 56.823 58.000 -0.041 0.000 1.260 213 F CB 0.472 39.394 39.000 -0.129 0.000 1.095 213 F HN -0.079 nan 8.300 nan 0.000 0.573 214 P HA 0.021 nan 4.420 nan 0.000 0.268 214 P C -2.547 174.740 177.300 -0.023 0.000 1.208 214 P CA -0.770 62.364 63.100 0.056 0.000 0.777 214 P CB 0.040 31.804 31.700 0.108 0.000 0.875 215 P HA 0.094 nan 4.420 nan 0.000 0.268 215 P C 0.913 178.141 177.300 -0.120 0.000 1.204 215 P CA 1.112 64.154 63.100 -0.097 0.000 0.768 215 P CB 0.173 31.828 31.700 -0.075 0.000 0.842 216 G N 1.459 110.148 108.800 -0.185 0.000 2.217 216 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.246 216 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.246 216 G C 1.001 175.792 174.900 -0.181 0.000 0.990 216 G CA 0.237 45.238 45.100 -0.165 0.000 0.627 216 G HN 0.397 nan 8.290 nan 0.000 0.522 217 V N -0.220 119.536 119.914 -0.263 0.000 2.427 217 V HA 0.106 4.226 4.120 -0.000 0.000 0.248 217 V C 1.360 177.256 176.094 -0.330 0.000 1.051 217 V CA 1.982 64.014 62.300 -0.447 0.000 1.048 217 V CB 0.152 31.479 31.823 -0.827 0.000 0.666 217 V HN 0.425 nan 8.190 nan 0.000 0.456 218 V N 1.126 120.900 119.914 -0.235 0.000 2.577 218 V HA 0.471 4.591 4.120 -0.000 0.000 0.303 218 V C -0.875 175.212 176.094 -0.011 0.000 1.042 218 V CA -0.808 61.409 62.300 -0.139 0.000 0.872 218 V CB 1.939 33.649 31.823 -0.188 0.000 0.998 218 V HN 0.409 nan 8.190 nan 0.000 0.423 219 N N 5.170 123.866 118.700 -0.007 0.000 2.352 219 N HA 0.624 5.364 4.740 -0.000 0.000 0.291 219 N C -1.366 174.193 175.510 0.081 0.000 1.040 219 N CA -0.447 52.613 53.050 0.016 0.000 0.864 219 N CB 2.992 41.427 38.487 -0.087 0.000 1.440 219 N HN 0.494 nan 8.380 nan 0.000 0.483 220 I N 1.743 122.421 120.570 0.179 0.000 2.406 220 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 220 I C -0.373 175.834 176.117 0.150 0.000 0.999 220 I CA -0.989 60.396 61.300 0.142 0.000 1.124 220 I CB 2.061 40.143 38.000 0.137 0.000 1.289 220 I HN 0.058 nan 8.210 nan 0.000 0.441 221 V N 7.980 127.962 119.914 0.113 0.000 2.325 221 V HA 0.304 4.424 4.120 -0.000 0.000 0.280 221 V C -2.102 174.065 176.094 0.123 0.000 1.016 221 V CA -1.547 60.820 62.300 0.112 0.000 0.818 221 V CB 1.275 33.138 31.823 0.066 0.000 1.019 221 V HN 0.580 nan 8.190 nan 0.000 0.434 222 P HA 0.598 nan 4.420 nan 0.000 0.274 222 P C 0.155 177.537 177.300 0.136 0.000 1.231 222 P CA 0.439 63.655 63.100 0.194 0.000 0.790 222 P CB 2.145 34.005 31.700 0.266 0.000 0.951 223 G N 0.686 109.468 108.800 -0.030 0.000 2.345 223 G HA2 0.255 4.215 3.960 -0.000 0.000 0.285 223 G HA3 0.255 4.215 3.960 -0.000 0.000 0.285 223 G C -1.542 173.044 174.900 -0.522 0.000 1.297 223 G CA -0.902 43.956 45.100 -0.403 0.000 0.875 223 G HN 0.293 nan 8.290 nan 0.000 0.506 224 F N 0.640 120.458 119.950 -0.219 0.000 2.370 224 F HA 0.493 5.020 4.527 -0.000 0.000 0.319 224 F C 1.892 177.664 175.800 -0.046 0.000 1.129 224 F CA 0.178 58.081 58.000 -0.163 0.000 1.109 224 F CB 1.500 40.408 39.000 -0.153 0.000 1.262 224 F HN 0.654 nan 8.300 nan 0.000 0.534 225 G N 0.754 109.683 108.800 0.216 0.000 2.434 225 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.214 225 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.214 225 G C -0.977 173.987 174.900 0.105 0.000 1.202 225 G CA 0.496 45.684 45.100 0.147 0.000 0.788 225 G HN 0.458 nan 8.290 nan 0.000 0.539 226 P HA -0.059 nan 4.420 nan 0.000 0.222 226 P C 1.831 179.167 177.300 0.061 0.000 1.142 226 P CA 2.051 65.181 63.100 0.048 0.000 0.788 226 P CB -0.023 31.690 31.700 0.022 0.000 0.767 227 T N -4.003 110.610 114.554 0.098 0.000 3.395 227 T HA 0.263 4.613 4.350 -0.000 0.000 0.230 227 T C 1.944 176.691 174.700 0.078 0.000 0.958 227 T CA 0.596 62.752 62.100 0.094 0.000 1.377 227 T CB -1.120 67.827 68.868 0.133 0.000 1.124 227 T HN -0.097 nan 8.240 nan 0.000 0.425 228 A N 1.682 124.549 122.820 0.078 0.000 1.898 228 A HA 0.286 4.606 4.320 -0.000 0.000 0.216 228 A C 2.634 180.260 177.584 0.071 0.000 1.181 228 A CA 1.852 53.928 52.037 0.064 0.000 0.620 228 A CB -1.714 17.315 19.000 0.048 0.000 0.819 228 A HN 0.690 nan 8.150 nan 0.000 0.442 229 G N -0.435 108.415 108.800 0.083 0.000 2.421 229 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.216 229 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.216 229 G C 1.739 176.676 174.900 0.062 0.000 1.171 229 G CA 1.458 46.612 45.100 0.090 0.000 0.775 229 G HN 0.828 nan 8.290 nan 0.000 0.543 230 A N 0.927 123.775 122.820 0.046 0.000 2.015 230 A HA 0.348 4.668 4.320 -0.000 0.000 0.219 230 A C 2.738 180.345 177.584 0.038 0.000 1.163 230 A CA 1.980 54.031 52.037 0.024 0.000 0.646 230 A CB -0.554 18.454 19.000 0.014 0.000 0.806 230 A HN 0.746 nan 8.150 nan 0.000 0.448 231 A N -0.003 122.851 122.820 0.057 0.000 1.930 231 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 231 A C 2.087 179.740 177.584 0.115 0.000 1.175 231 A CA 1.424 53.509 52.037 0.081 0.000 0.627 231 A CB -0.478 18.574 19.000 0.086 0.000 0.815 231 A HN 0.500 nan 8.150 nan 0.000 0.443 232 I N -0.478 120.143 120.570 0.084 0.000 2.193 232 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 232 I C 2.974 179.137 176.117 0.077 0.000 1.084 232 I CA 1.008 62.352 61.300 0.073 0.000 1.365 232 I CB -0.406 37.624 38.000 0.051 0.000 1.064 232 I HN 0.340 nan 8.210 nan 0.000 0.410 233 A N -0.004 122.847 122.820 0.052 0.000 1.978 233 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 233 A C 2.316 179.916 177.584 0.026 0.000 1.170 233 A CA 2.150 54.202 52.037 0.025 0.000 0.636 233 A CB -0.486 18.507 19.000 -0.013 0.000 0.810 233 A HN 0.428 nan 8.150 nan 0.000 0.448 234 S N -1.253 114.469 115.700 0.037 0.000 2.535 234 S HA 0.080 4.550 4.470 -0.000 0.000 0.214 234 S C 0.643 175.259 174.600 0.026 0.000 0.980 234 S CA -0.561 57.650 58.200 0.018 0.000 0.907 234 S CB -0.222 62.977 63.200 -0.001 0.000 0.790 234 S HN 0.685 nan 8.310 nan 0.000 0.510 235 H N 2.781 121.846 119.070 -0.008 0.000 3.001 235 H HA 0.050 4.606 4.556 -0.000 0.000 0.334 235 H C 0.824 176.146 175.328 -0.009 0.000 1.034 235 H CA 0.659 56.703 56.048 -0.007 0.000 1.420 235 H CB 0.625 30.384 29.762 -0.005 0.000 1.405 235 H HN 0.147 nan 8.280 nan 0.000 0.593 236 E N 2.952 123.043 120.200 -0.182 0.000 2.347 236 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 236 E C 0.634 177.296 176.600 0.103 0.000 1.008 236 E CA 0.694 57.070 56.400 -0.041 0.000 0.852 236 E CB 0.259 29.892 29.700 -0.113 0.000 0.783 236 E HN 0.579 nan 8.360 nan 0.000 0.505 237 D N -0.308 120.307 120.400 0.359 0.000 2.431 237 D HA 0.045 4.685 4.640 -0.000 0.000 0.213 237 D C -0.625 175.745 176.300 0.117 0.000 1.130 237 D CA -0.032 54.107 54.000 0.232 0.000 0.834 237 D CB 0.659 41.598 40.800 0.233 0.000 0.985 237 D HN -0.201 nan 8.370 nan 0.000 0.504 238 V N 1.921 121.908 119.914 0.122 0.000 2.385 238 V HA 0.127 4.247 4.120 -0.000 0.000 0.269 238 V C 0.896 176.991 176.094 0.001 0.000 1.043 238 V CA -0.432 61.874 62.300 0.010 0.000 0.906 238 V CB 1.648 33.477 31.823 0.010 0.000 0.995 238 V HN 0.024 nan 8.190 nan 0.000 0.467 239 D N 3.263 123.640 120.400 -0.039 0.000 2.277 239 D HA 0.008 4.648 4.640 -0.000 0.000 0.208 239 D C 0.765 177.036 176.300 -0.049 0.000 0.962 239 D CA 1.010 54.983 54.000 -0.044 0.000 0.865 239 D CB 0.613 41.367 40.800 -0.076 0.000 0.939 239 D HN 0.548 nan 8.370 nan 0.000 0.510 240 K N 0.045 120.414 120.400 -0.051 0.000 2.562 240 K HA 0.380 4.700 4.320 -0.000 0.000 0.267 240 K C -2.143 174.437 176.600 -0.033 0.000 0.938 240 K CA -0.637 55.613 56.287 -0.062 0.000 0.840 240 K CB 2.922 35.355 32.500 -0.112 0.000 1.390 240 K HN -0.193 nan 8.250 nan 0.000 0.428 241 V N 2.638 122.536 119.914 -0.025 0.000 2.525 241 V HA 0.782 4.902 4.120 -0.000 0.000 0.299 241 V C -1.355 174.758 176.094 0.032 0.000 1.034 241 V CA -0.286 62.025 62.300 0.019 0.000 0.863 241 V CB 1.329 33.170 31.823 0.031 0.000 0.999 241 V HN 0.880 nan 8.190 nan 0.000 0.423 242 A N 6.953 129.815 122.820 0.070 0.000 2.271 242 A HA 0.827 5.147 4.320 -0.000 0.000 0.317 242 A C -1.144 176.540 177.584 0.168 0.000 1.245 242 A CA -0.432 51.658 52.037 0.088 0.000 0.857 242 A CB 0.709 19.768 19.000 0.098 0.000 1.175 242 A HN 1.135 nan 8.150 nan 0.000 0.512 243 F N 2.115 122.074 119.950 0.015 0.000 2.532 243 F HA 0.738 5.265 4.527 -0.000 0.000 0.321 243 F C -0.309 175.506 175.800 0.026 0.000 1.089 243 F CA -0.102 57.911 58.000 0.023 0.000 0.926 243 F CB 2.387 41.394 39.000 0.011 0.000 1.168 243 F HN 0.400 nan 8.300 nan 0.000 0.459 244 T N 4.191 118.096 114.554 -1.082 0.000 2.949 244 T HA 0.733 5.083 4.350 -0.000 0.000 0.300 244 T C -0.247 173.806 174.700 -1.077 0.000 0.988 244 T CA -0.289 61.354 62.100 -0.761 0.000 0.993 244 T CB 1.045 69.745 68.868 -0.281 0.000 0.984 244 T HN 1.132 nan 8.240 nan 0.000 0.442 245 G N 2.024 110.375 108.800 -0.748 0.000 2.498 245 G HA2 0.473 4.433 3.960 -0.000 0.000 0.181 245 G HA3 0.473 4.433 3.960 -0.000 0.000 0.181 245 G C -0.624 174.265 174.900 -0.018 0.000 1.169 245 G CA -0.220 44.664 45.100 -0.361 0.000 0.992 245 G HN 0.939 nan 8.290 nan 0.000 0.490 246 S N -0.189 115.600 115.700 0.148 0.000 2.585 246 S HA 0.430 4.900 4.470 -0.000 0.000 0.273 246 S C 1.372 176.091 174.600 0.197 0.000 1.339 246 S CA 0.972 59.237 58.200 0.108 0.000 1.028 246 S CB 1.298 64.557 63.200 0.098 0.000 0.906 246 S HN 0.868 nan 8.310 nan 0.000 0.528 247 T N 1.036 115.675 114.554 0.141 0.000 2.788 247 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 247 T C 1.577 176.324 174.700 0.077 0.000 1.044 247 T CA 1.590 63.777 62.100 0.145 0.000 1.139 247 T CB -0.511 68.466 68.868 0.181 0.000 0.867 247 T HN 0.831 nan 8.240 nan 0.000 0.454 248 E N 0.508 120.748 120.200 0.067 0.000 2.033 248 E HA -0.165 4.185 4.350 -0.000 0.000 0.199 248 E C 1.985 178.573 176.600 -0.020 0.000 1.011 248 E CA 1.234 57.650 56.400 0.027 0.000 0.815 248 E CB -0.060 29.666 29.700 0.044 0.000 0.755 248 E HN 0.300 nan 8.360 nan 0.000 0.451 249 I N 0.576 121.134 120.570 -0.020 0.000 2.546 249 I HA -0.086 4.084 4.170 -0.000 0.000 0.255 249 I C 2.500 178.362 176.117 -0.426 0.000 1.163 249 I CA 1.173 62.370 61.300 -0.172 0.000 1.457 249 I CB -1.617 36.326 38.000 -0.095 0.000 1.092 249 I HN 0.218 nan 8.210 nan 0.000 0.434 250 G N 1.307 109.939 108.800 -0.280 0.000 2.450 250 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 250 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 250 G C 1.863 176.651 174.900 -0.187 0.000 1.130 250 G CA 0.332 45.274 45.100 -0.264 0.000 0.760 250 G HN 0.365 nan 8.290 nan 0.000 0.557 251 R N -0.210 120.215 120.500 -0.124 0.000 2.093 251 R HA 0.067 4.407 4.340 -0.000 0.000 0.224 251 R C 2.575 178.808 176.300 -0.113 0.000 1.101 251 R CA 0.872 56.917 56.100 -0.091 0.000 0.979 251 R CB -0.526 29.739 30.300 -0.059 0.000 0.877 251 R HN 0.282 nan 8.270 nan 0.000 0.441 252 V N 1.884 121.712 119.914 -0.143 0.000 2.343 252 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 252 V C 2.380 178.384 176.094 -0.151 0.000 1.051 252 V CA 1.517 63.738 62.300 -0.132 0.000 1.036 252 V CB -0.442 31.301 31.823 -0.135 0.000 0.654 252 V HN 0.232 nan 8.190 nan 0.000 0.451 253 I N 0.062 120.489 120.570 -0.237 0.000 2.179 253 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 253 I C 2.584 178.627 176.117 -0.122 0.000 1.088 253 I CA 2.036 63.208 61.300 -0.214 0.000 1.357 253 I CB -1.190 36.602 38.000 -0.347 0.000 1.051 253 I HN 0.411 nan 8.210 nan 0.000 0.409 254 Q N 0.967 120.699 119.800 -0.112 0.000 2.084 254 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 254 Q C 2.213 178.177 176.000 -0.060 0.000 0.978 254 Q CA 1.801 57.561 55.803 -0.071 0.000 0.844 254 Q CB -0.134 28.567 28.738 -0.061 0.000 0.898 254 Q HN 0.334 nan 8.270 nan 0.000 0.426 255 V N 0.530 120.405 119.914 -0.064 0.000 2.358 255 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 255 V C 2.261 178.327 176.094 -0.047 0.000 1.047 255 V CA 1.620 63.889 62.300 -0.052 0.000 1.035 255 V CB -1.154 30.638 31.823 -0.051 0.000 0.658 255 V HN 0.527 nan 8.190 nan 0.000 0.452 256 A N -0.074 122.714 122.820 -0.053 0.000 2.019 256 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 256 A C 2.352 179.916 177.584 -0.033 0.000 1.164 256 A CA 1.948 53.959 52.037 -0.042 0.000 0.644 256 A CB -0.535 18.437 19.000 -0.046 0.000 0.805 256 A HN 0.558 nan 8.150 nan 0.000 0.449 257 A N -0.693 122.105 122.820 -0.037 0.000 1.898 257 A HA 0.254 4.574 4.320 -0.000 0.000 0.214 257 A C 2.329 179.896 177.584 -0.028 0.000 1.183 257 A CA 1.533 53.553 52.037 -0.028 0.000 0.622 257 A CB -1.107 17.874 19.000 -0.032 0.000 0.824 257 A HN 0.663 nan 8.150 nan 0.000 0.444 258 G N -1.010 107.771 108.800 -0.032 0.000 2.448 258 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.218 258 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.218 258 G C 1.560 176.443 174.900 -0.027 0.000 1.135 258 G CA 1.149 46.232 45.100 -0.030 0.000 0.784 258 G HN 0.468 nan 8.290 nan 0.000 0.543 259 S N 0.219 115.902 115.700 -0.028 0.000 2.527 259 S HA 0.033 4.503 4.470 -0.000 0.000 0.222 259 S C 2.343 176.927 174.600 -0.026 0.000 0.985 259 S CA 0.894 59.078 58.200 -0.027 0.000 0.921 259 S CB 0.101 63.285 63.200 -0.028 0.000 0.772 259 S HN 0.615 nan 8.310 nan 0.000 0.529 260 S N 3.168 118.853 115.700 -0.024 0.000 2.836 260 S HA 0.104 4.574 4.470 -0.000 0.000 0.164 260 S C 0.945 175.533 174.600 -0.020 0.000 0.714 260 S CA 0.179 58.364 58.200 -0.024 0.000 0.906 260 S CB -0.480 62.708 63.200 -0.020 0.000 0.702 260 S HN 0.486 nan 8.310 nan 0.000 0.571 261 N N 1.283 119.975 118.700 -0.013 0.000 2.291 261 N HA 0.264 5.003 4.740 -0.000 0.000 0.244 261 N C 0.061 175.564 175.510 -0.011 0.000 1.216 261 N CA -0.124 52.921 53.050 -0.009 0.000 0.879 261 N CB -0.352 38.136 38.487 0.001 0.000 1.167 261 N HN 0.609 nan 8.380 nan 0.000 0.515 262 L N -0.213 121.000 121.223 -0.017 0.000 3.717 262 L HA -0.299 4.041 4.340 -0.000 0.000 0.414 262 L C 0.020 176.876 176.870 -0.023 0.000 1.228 262 L CA 0.672 55.500 54.840 -0.021 0.000 0.918 262 L CB -1.756 40.291 42.059 -0.021 0.000 1.865 262 L HN 0.449 nan 8.230 nan 0.000 0.922 263 K N 0.327 120.715 120.400 -0.020 0.000 2.276 263 K HA 0.409 4.729 4.320 -0.000 0.000 0.259 263 K C 0.467 177.044 176.600 -0.037 0.000 1.001 263 K CA -0.669 55.603 56.287 -0.024 0.000 0.927 263 K CB 0.603 33.094 32.500 -0.015 0.000 0.969 263 K HN 0.082 nan 8.250 nan 0.000 0.490 264 R N 0.925 121.394 120.500 -0.051 0.000 2.590 264 R HA 0.174 4.514 4.340 -0.000 0.000 0.274 264 R C -0.608 175.651 176.300 -0.068 0.000 1.061 264 R CA -0.385 55.673 56.100 -0.069 0.000 1.081 264 R CB 0.792 31.033 30.300 -0.099 0.000 0.984 264 R HN 0.439 nan 8.270 nan 0.000 0.448 265 V N 1.826 121.701 119.914 -0.064 0.000 2.623 265 V HA 0.289 4.409 4.120 -0.000 0.000 0.304 265 V C -0.173 175.893 176.094 -0.047 0.000 1.054 265 V CA -0.844 61.429 62.300 -0.045 0.000 0.882 265 V CB 2.123 33.928 31.823 -0.031 0.000 1.002 265 V HN 0.956 nan 8.190 nan 0.000 0.424 266 T N 3.080 117.614 114.554 -0.033 0.000 2.824 266 T HA 0.843 5.193 4.350 -0.000 0.000 0.282 266 T C -0.934 173.790 174.700 0.040 0.000 0.993 266 T CA -0.634 61.449 62.100 -0.029 0.000 0.967 266 T CB 1.422 70.245 68.868 -0.076 0.000 0.960 266 T HN 0.364 nan 8.240 nan 0.000 0.441 267 L N 2.654 123.905 121.223 0.047 0.000 2.341 267 L HA 0.557 4.897 4.340 -0.000 0.000 0.278 267 L C -0.075 176.825 176.870 0.050 0.000 1.005 267 L CA -0.874 54.037 54.840 0.119 0.000 0.818 267 L CB 1.874 44.013 42.059 0.133 0.000 1.259 267 L HN 0.644 nan 8.230 nan 0.000 0.418 268 E N 5.451 125.671 120.200 0.033 0.000 2.546 268 E HA 0.391 4.741 4.350 -0.000 0.000 0.227 268 E C -0.635 175.941 176.600 -0.040 0.000 1.009 268 E CA -0.220 56.153 56.400 -0.044 0.000 0.813 268 E CB 1.314 30.985 29.700 -0.048 0.000 1.269 268 E HN 0.480 nan 8.360 nan 0.000 0.432 269 L N -0.033 121.191 121.223 0.002 0.000 2.469 269 L HA 0.509 4.849 4.340 -0.000 0.000 0.253 269 L C 1.443 178.264 176.870 -0.081 0.000 1.143 269 L CA -0.819 54.030 54.840 0.015 0.000 0.804 269 L CB 0.398 42.525 42.059 0.114 0.000 1.214 269 L HN 0.342 nan 8.230 nan 0.000 0.476 270 G N -1.022 107.662 108.800 -0.194 0.000 2.486 270 G HA2 0.523 4.483 3.960 -0.000 0.000 0.272 270 G HA3 0.523 4.483 3.960 -0.000 0.000 0.272 270 G C -0.213 174.305 174.900 -0.637 0.000 1.426 270 G CA 0.264 45.119 45.100 -0.408 0.000 1.058 270 G HN 0.916 nan 8.290 nan 0.000 0.531 271 G N -2.306 105.970 108.800 -0.873 0.000 2.495 271 G HA2 0.462 4.422 3.960 -0.000 0.000 0.294 271 G HA3 0.462 4.422 3.960 -0.000 0.000 0.294 271 G C -1.374 173.216 174.900 -0.517 0.000 1.397 271 G CA -0.462 44.113 45.100 -0.876 0.000 0.790 271 G HN 0.571 nan 8.290 nan 0.000 0.486 272 K N 0.691 121.036 120.400 -0.091 0.000 3.206 272 K HA 0.478 4.798 4.320 -0.000 0.000 0.180 272 K C 0.153 176.824 176.600 0.119 0.000 1.088 272 K CA -0.347 55.971 56.287 0.051 0.000 0.872 272 K CB 0.058 32.666 32.500 0.180 0.000 0.976 272 K HN 0.425 nan 8.250 nan 0.000 0.564 273 S N 3.889 119.663 115.700 0.124 0.000 2.673 273 S HA 0.041 4.511 4.470 -0.000 0.000 0.308 273 S C -2.270 172.475 174.600 0.241 0.000 1.246 273 S CA -0.416 57.903 58.200 0.199 0.000 1.077 273 S CB 0.035 63.409 63.200 0.290 0.000 0.814 273 S HN 0.395 nan 8.310 nan 0.000 0.503 274 P HA 0.196 nan 4.420 nan 0.000 0.286 274 P C -0.982 176.534 177.300 0.361 0.000 1.269 274 P CA -0.588 62.728 63.100 0.359 0.000 0.787 274 P CB 0.478 32.390 31.700 0.352 0.000 0.920 275 N N 3.524 122.439 118.700 0.358 0.000 2.626 275 N HA 0.321 5.061 4.740 -0.000 0.000 0.242 275 N C -0.528 175.173 175.510 0.319 0.000 1.005 275 N CA -0.621 52.637 53.050 0.348 0.000 0.905 275 N CB 0.219 38.821 38.487 0.193 0.000 1.128 275 N HN 0.300 nan 8.380 nan 0.000 0.512 276 I N 4.395 125.150 120.570 0.309 0.000 2.337 276 I HA 0.210 4.380 4.170 -0.000 0.000 0.291 276 I C -0.163 176.136 176.117 0.303 0.000 1.046 276 I CA -0.497 60.947 61.300 0.240 0.000 1.324 276 I CB 0.659 38.680 38.000 0.035 0.000 1.409 276 I HN 0.377 nan 8.210 nan 0.000 0.494 277 I N 7.287 128.014 120.570 0.261 0.000 2.330 277 I HA 0.308 4.478 4.170 -0.000 0.000 0.286 277 I C 0.300 176.579 176.117 0.270 0.000 1.025 277 I CA -0.474 60.937 61.300 0.186 0.000 1.197 277 I CB 0.838 38.728 38.000 -0.183 0.000 1.358 277 I HN 0.493 nan 8.210 nan 0.000 0.467 278 M N 3.661 123.439 119.600 0.298 0.000 2.227 278 M HA 0.166 4.646 4.480 -0.000 0.000 0.316 278 M C 1.708 178.100 176.300 0.153 0.000 1.144 278 M CA -0.025 55.436 55.300 0.268 0.000 1.121 278 M CB 0.724 33.474 32.600 0.251 0.000 1.440 278 M HN 0.654 nan 8.290 nan 0.000 0.473 279 S N 0.478 116.234 115.700 0.093 0.000 2.399 279 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 279 S C 0.853 175.507 174.600 0.091 0.000 1.022 279 S CA 1.470 59.706 58.200 0.061 0.000 0.983 279 S CB -0.558 62.657 63.200 0.024 0.000 0.803 279 S HN 0.755 nan 8.310 nan 0.000 0.480 280 D N 2.023 122.488 120.400 0.108 0.000 2.328 280 D HA 0.372 5.012 4.640 -0.000 0.000 0.226 280 D C 0.620 177.007 176.300 0.145 0.000 1.066 280 D CA 0.243 54.309 54.000 0.110 0.000 0.861 280 D CB -0.438 40.418 40.800 0.094 0.000 0.912 280 D HN 0.550 nan 8.370 nan 0.000 0.521 281 A N 0.420 123.351 122.820 0.185 0.000 2.406 281 A HA 0.204 4.524 4.320 -0.000 0.000 0.243 281 A C -0.054 177.674 177.584 0.240 0.000 1.082 281 A CA -0.368 51.821 52.037 0.253 0.000 0.786 281 A CB 0.074 19.269 19.000 0.326 0.000 1.029 281 A HN 0.134 nan 8.150 nan 0.000 0.495 282 D N 1.377 121.955 120.400 0.296 0.000 2.344 282 D HA 0.205 4.845 4.640 -0.000 0.000 0.253 282 D C 1.084 177.553 176.300 0.282 0.000 1.255 282 D CA -0.133 54.027 54.000 0.266 0.000 0.894 282 D CB 0.287 41.264 40.800 0.295 0.000 1.067 282 D HN 0.428 nan 8.370 nan 0.000 0.492 283 M N 3.355 123.078 119.600 0.205 0.000 2.088 283 M HA -0.222 4.258 4.480 -0.000 0.000 0.256 283 M C 1.122 177.512 176.300 0.150 0.000 1.071 283 M CA 1.900 57.308 55.300 0.179 0.000 1.097 283 M CB -0.317 32.360 32.600 0.128 0.000 1.315 283 M HN 0.424 nan 8.290 nan 0.000 0.406 284 D N -1.005 119.484 120.400 0.148 0.000 2.106 284 D HA -0.252 4.388 4.640 -0.000 0.000 0.191 284 D C 1.797 178.226 176.300 0.216 0.000 0.997 284 D CA 1.634 55.716 54.000 0.136 0.000 0.834 284 D CB -0.721 40.162 40.800 0.139 0.000 0.956 284 D HN 0.667 nan 8.370 nan 0.000 0.448 285 W N 1.442 122.787 121.300 0.076 0.000 2.355 285 W HA -0.188 4.472 4.660 -0.000 0.000 0.309 285 W C 2.210 178.797 176.519 0.112 0.000 1.206 285 W CA 1.420 58.837 57.345 0.121 0.000 1.284 285 W CB -0.057 29.515 29.460 0.187 0.000 1.145 285 W HN -0.012 nan 8.180 nan 0.000 0.502 286 A N 0.302 123.190 122.820 0.114 0.000 1.908 286 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 286 A C 1.968 179.420 177.584 -0.220 0.000 1.181 286 A CA 2.338 54.215 52.037 -0.266 0.000 0.627 286 A CB -1.169 17.845 19.000 0.023 0.000 0.818 286 A HN 0.173 nan 8.150 nan 0.000 0.445 287 V N -0.173 119.675 119.914 -0.110 0.000 2.358 287 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 287 V C 2.582 178.552 176.094 -0.207 0.000 1.047 287 V CA 2.322 64.439 62.300 -0.306 0.000 1.035 287 V CB -0.709 30.891 31.823 -0.371 0.000 0.658 287 V HN 0.682 nan 8.190 nan 0.000 0.452 288 E N 0.034 120.139 120.200 -0.159 0.000 2.072 288 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 288 E C 2.286 178.802 176.600 -0.141 0.000 0.985 288 E CA 1.318 57.647 56.400 -0.118 0.000 0.801 288 E CB -0.201 29.453 29.700 -0.077 0.000 0.750 288 E HN 0.503 nan 8.360 nan 0.000 0.452 289 Q N -0.463 119.117 119.800 -0.366 0.000 2.123 289 Q HA 0.032 4.372 4.340 -0.000 0.000 0.199 289 Q C 2.137 178.026 176.000 -0.186 0.000 0.966 289 Q CA 1.284 56.886 55.803 -0.335 0.000 0.845 289 Q CB -0.317 28.113 28.738 -0.514 0.000 0.907 289 Q HN 0.375 nan 8.270 nan 0.000 0.439 290 A N 0.220 122.885 122.820 -0.257 0.000 1.972 290 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 290 A C 1.883 179.435 177.584 -0.053 0.000 1.169 290 A CA 1.876 53.816 52.037 -0.161 0.000 0.635 290 A CB -0.682 18.357 19.000 0.064 0.000 0.810 290 A HN 0.446 nan 8.150 nan 0.000 0.446 291 H N -1.531 117.526 119.070 -0.021 0.000 2.326 291 H HA -0.111 4.445 4.556 -0.000 0.000 0.301 291 H C 1.698 177.185 175.328 0.266 0.000 1.081 291 H CA 2.094 58.255 56.048 0.188 0.000 1.334 291 H CB -0.415 29.404 29.762 0.095 0.000 1.385 291 H HN 0.477 nan 8.280 nan 0.000 0.504 292 F N 0.746 120.697 119.950 0.001 0.000 2.102 292 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 292 F C 2.539 178.281 175.800 -0.098 0.000 1.105 292 F CA 1.439 59.422 58.000 -0.028 0.000 1.239 292 F CB -0.645 38.309 39.000 -0.077 0.000 0.991 292 F HN 0.287 nan 8.300 nan 0.000 0.474 293 A N 0.400 123.001 122.820 -0.364 0.000 1.958 293 A HA -0.240 4.080 4.320 -0.000 0.000 0.221 293 A C 2.114 179.353 177.584 -0.576 0.000 1.178 293 A CA 2.283 53.836 52.037 -0.807 0.000 0.642 293 A CB -1.052 17.202 19.000 -1.243 0.000 0.816 293 A HN 0.626 nan 8.150 nan 0.000 0.453 294 L N -3.138 117.808 121.223 -0.460 0.000 2.347 294 L HA 0.290 4.630 4.340 -0.000 0.000 0.196 294 L C 2.046 178.625 176.870 -0.485 0.000 1.072 294 L CA 0.748 55.293 54.840 -0.491 0.000 0.817 294 L CB -0.051 41.600 42.059 -0.680 0.000 1.029 294 L HN 0.284 nan 8.230 nan 0.000 0.478 295 F N -0.491 119.309 119.950 -0.250 0.000 2.502 295 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 295 F C 1.041 176.767 175.800 -0.124 0.000 1.111 295 F CA 0.172 58.041 58.000 -0.219 0.000 1.445 295 F CB -0.487 38.282 39.000 -0.384 0.000 1.081 295 F HN -0.045 nan 8.300 nan 0.000 0.558 296 F N 2.256 122.102 119.950 -0.172 0.000 2.623 296 F HA -0.098 4.429 4.527 -0.000 0.000 0.383 296 F C 1.209 176.951 175.800 -0.097 0.000 1.077 296 F CA -0.041 57.855 58.000 -0.172 0.000 1.268 296 F CB 0.067 38.753 39.000 -0.522 0.000 1.053 296 F HN 0.125 nan 8.300 nan 0.000 0.571 297 N N 3.565 121.770 118.700 -0.826 0.000 2.725 297 N HA -0.308 4.432 4.740 -0.000 0.000 0.251 297 N C -0.078 175.177 175.510 -0.425 0.000 1.031 297 N CA 1.361 53.943 53.050 -0.780 0.000 0.720 297 N CB -0.908 36.905 38.487 -1.123 0.000 0.930 297 N HN 0.788 nan 8.380 nan 0.000 0.543 298 Q N -2.281 117.382 119.800 -0.228 0.000 2.480 298 Q HA -0.183 4.157 4.340 -0.000 0.000 0.265 298 Q C 1.282 177.208 176.000 -0.123 0.000 1.072 298 Q CA 2.174 57.905 55.803 -0.121 0.000 1.018 298 Q CB -1.815 26.834 28.738 -0.148 0.000 1.433 298 Q HN 1.159 nan 8.270 nan 0.000 0.513 299 G N -1.114 107.593 108.800 -0.155 0.000 2.212 299 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.266 299 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.266 299 G C 0.176 174.908 174.900 -0.281 0.000 0.978 299 G CA 0.441 45.441 45.100 -0.167 0.000 0.632 299 G HN 0.468 nan 8.290 nan 0.000 0.537 300 Q N 0.156 119.686 119.800 -0.451 0.000 3.159 300 Q HA 0.448 4.788 4.340 -0.000 0.000 0.280 300 Q C 0.072 175.570 176.000 -0.836 0.000 1.403 300 Q CA 0.186 55.414 55.803 -0.957 0.000 0.957 300 Q CB 0.329 28.773 28.738 -0.490 0.000 1.729 300 Q HN 0.439 nan 8.270 nan 0.000 0.551 301 C N 0.346 119.370 119.300 -0.459 0.000 2.431 301 C HA 0.306 4.766 4.460 -0.000 0.000 0.321 301 C C 1.993 177.326 174.990 0.572 0.000 1.202 301 C CA -0.796 58.329 59.018 0.178 0.000 1.398 301 C CB 0.057 27.958 27.740 0.268 0.000 2.047 301 C HN 0.981 nan 8.230 nan 0.000 0.465 302 C N 2.057 121.714 119.300 0.595 0.000 2.403 302 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 302 C C 1.843 177.033 174.990 0.333 0.000 1.248 302 C CA 1.523 60.802 59.018 0.436 0.000 1.762 302 C CB -2.441 25.491 27.740 0.320 0.000 2.014 302 C HN 1.039 nan 8.230 nan 0.000 0.486 303 C N 1.195 120.768 119.300 0.456 0.000 2.469 303 C HA 0.776 5.236 4.460 -0.000 0.000 0.298 303 C C 1.105 176.389 174.990 0.491 0.000 1.436 303 C CA -0.872 58.422 59.018 0.461 0.000 1.783 303 C CB -2.444 25.683 27.740 0.644 0.000 2.726 303 C HN 0.747 nan 8.230 nan 0.000 0.541 304 A N 0.872 123.909 122.820 0.361 0.000 2.511 304 A HA 0.491 4.811 4.320 -0.000 0.000 0.242 304 A C 1.157 178.854 177.584 0.187 0.000 1.069 304 A CA 0.709 52.889 52.037 0.238 0.000 0.763 304 A CB -0.017 19.056 19.000 0.123 0.000 1.001 304 A HN 1.234 nan 8.150 nan 0.000 0.498 305 G N 1.639 110.441 108.800 0.003 0.000 3.102 305 G HA2 0.307 4.267 3.960 -0.000 0.000 0.264 305 G HA3 0.307 4.267 3.960 -0.000 0.000 0.264 305 G C 0.881 175.727 174.900 -0.089 0.000 0.788 305 G CA 0.375 45.444 45.100 -0.052 0.000 2.029 305 G HN 1.081 nan 8.290 nan 0.000 0.608 306 S N 0.334 116.019 115.700 -0.025 0.000 2.607 306 S HA 0.131 4.601 4.470 -0.000 0.000 0.224 306 S C 1.019 175.579 174.600 -0.066 0.000 0.969 306 S CA -0.061 58.100 58.200 -0.065 0.000 0.927 306 S CB 0.379 63.552 63.200 -0.046 0.000 0.772 306 S HN 0.425 nan 8.310 nan 0.000 0.533 307 R N 1.667 122.137 120.500 -0.049 0.000 2.607 307 R HA 0.233 4.573 4.340 -0.000 0.000 0.278 307 R C -1.247 174.951 176.300 -0.171 0.000 1.637 307 R CA -0.065 55.940 56.100 -0.158 0.000 1.325 307 R CB 1.180 31.425 30.300 -0.092 0.000 1.211 307 R HN 0.142 nan 8.270 nan 0.000 0.565 308 T N 3.746 118.200 114.554 -0.166 0.000 2.863 308 T HA 0.244 4.594 4.350 -0.000 0.000 0.299 308 T C -0.061 174.571 174.700 -0.114 0.000 0.973 308 T CA 0.046 62.103 62.100 -0.072 0.000 0.994 308 T CB -0.223 68.642 68.868 -0.004 0.000 0.961 308 T HN 0.146 nan 8.240 nan 0.000 0.552 309 F N 2.601 122.584 119.950 0.056 0.000 2.438 309 F HA 0.420 4.947 4.527 -0.000 0.000 0.356 309 F C 0.420 176.363 175.800 0.238 0.000 1.099 309 F CA -0.644 57.453 58.000 0.162 0.000 1.185 309 F CB 0.767 39.778 39.000 0.019 0.000 1.115 309 F HN 0.175 nan 8.300 nan 0.000 0.526 310 V N 3.807 123.972 119.914 0.418 0.000 2.588 310 V HA 0.263 4.383 4.120 -0.000 0.000 0.304 310 V C -0.177 175.885 176.094 -0.052 0.000 1.042 310 V CA -1.151 61.207 62.300 0.098 0.000 0.877 310 V CB 1.628 33.269 31.823 -0.303 0.000 0.996 310 V HN 0.657 nan 8.190 nan 0.000 0.425 311 Q N 2.212 121.752 119.800 -0.433 0.000 2.364 311 Q HA 0.058 4.398 4.340 -0.000 0.000 0.267 311 Q C 1.422 177.232 176.000 -0.315 0.000 0.999 311 Q CA 0.277 55.542 55.803 -0.897 0.000 0.886 311 Q CB 0.929 29.258 28.738 -0.682 0.000 1.243 311 Q HN 0.945 nan 8.270 nan 0.000 0.415 312 E N 2.648 122.672 120.200 -0.293 0.000 2.114 312 E HA -0.346 4.004 4.350 -0.000 0.000 0.199 312 E C 0.448 177.041 176.600 -0.012 0.000 1.008 312 E CA 1.831 58.169 56.400 -0.103 0.000 0.810 312 E CB -0.078 29.545 29.700 -0.128 0.000 0.739 312 E HN 0.652 nan 8.360 nan 0.000 0.456 313 D N 1.063 121.437 120.400 -0.043 0.000 2.182 313 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 313 D C 2.076 178.402 176.300 0.044 0.000 0.986 313 D CA 1.773 55.774 54.000 0.002 0.000 0.847 313 D CB -0.091 40.705 40.800 -0.008 0.000 0.942 313 D HN 0.633 nan 8.370 nan 0.000 0.467 314 I N -3.337 117.264 120.570 0.051 0.000 4.082 314 I HA 0.146 4.316 4.170 -0.000 0.000 0.337 314 I C 1.863 178.062 176.117 0.136 0.000 1.352 314 I CA -0.533 60.821 61.300 0.090 0.000 1.097 314 I CB -0.130 37.922 38.000 0.086 0.000 1.048 314 I HN -0.230 nan 8.210 nan 0.000 0.393 315 Y N 3.015 123.326 120.300 0.019 0.000 2.030 315 Y HA -0.332 4.218 4.550 -0.000 0.000 0.274 315 Y C 2.149 178.121 175.900 0.120 0.000 1.153 315 Y CA 2.462 60.593 58.100 0.052 0.000 1.115 315 Y CB -0.144 38.319 38.460 0.006 0.000 0.969 315 Y HN 0.233 nan 8.280 nan 0.000 0.488 316 D N -0.006 120.535 120.400 0.234 0.000 2.116 316 D HA -0.241 4.399 4.640 -0.000 0.000 0.193 316 D C 2.080 178.408 176.300 0.047 0.000 0.998 316 D CA 1.849 55.932 54.000 0.138 0.000 0.836 316 D CB -0.547 40.345 40.800 0.153 0.000 0.951 316 D HN 0.620 nan 8.370 nan 0.000 0.449 317 E N -0.457 119.785 120.200 0.069 0.000 2.077 317 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 317 E C 2.094 178.711 176.600 0.029 0.000 0.989 317 E CA 0.469 56.897 56.400 0.046 0.000 0.800 317 E CB -0.193 29.545 29.700 0.063 0.000 0.746 317 E HN 0.205 nan 8.360 nan 0.000 0.452 318 F N 0.786 120.684 119.950 -0.087 0.000 2.075 318 F HA -0.233 4.294 4.527 -0.000 0.000 0.297 318 F C 2.126 177.834 175.800 -0.153 0.000 1.113 318 F CA 1.491 59.424 58.000 -0.112 0.000 1.218 318 F CB -0.370 38.557 39.000 -0.122 0.000 0.984 318 F HN -0.124 nan 8.300 nan 0.000 0.472 319 V N 0.452 120.347 119.914 -0.031 0.000 2.332 319 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 319 V C 2.376 178.390 176.094 -0.134 0.000 1.055 319 V CA 2.365 64.587 62.300 -0.131 0.000 1.038 319 V CB -0.762 30.910 31.823 -0.252 0.000 0.651 319 V HN 0.416 nan 8.190 nan 0.000 0.450 320 E N -0.167 119.971 120.200 -0.102 0.000 2.038 320 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 320 E C 2.526 179.050 176.600 -0.127 0.000 1.000 320 E CA 1.508 57.857 56.400 -0.084 0.000 0.803 320 E CB -0.067 29.603 29.700 -0.050 0.000 0.750 320 E HN 0.527 nan 8.360 nan 0.000 0.448 321 R N -0.139 120.254 120.500 -0.178 0.000 2.092 321 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 321 R C 2.572 178.709 176.300 -0.271 0.000 1.119 321 R CA 1.241 57.211 56.100 -0.216 0.000 0.970 321 R CB -0.119 30.039 30.300 -0.238 0.000 0.864 321 R HN 0.038 nan 8.270 nan 0.000 0.440 322 S N 0.422 115.910 115.700 -0.353 0.000 2.368 322 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 322 S C 2.118 176.640 174.600 -0.131 0.000 1.030 322 S CA 1.191 59.221 58.200 -0.283 0.000 0.999 322 S CB -0.123 62.886 63.200 -0.318 0.000 0.844 322 S HN 0.068 nan 8.310 nan 0.000 0.459 323 V N 2.069 121.914 119.914 -0.114 0.000 2.343 323 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 323 V C 2.658 178.691 176.094 -0.103 0.000 1.051 323 V CA 1.673 63.927 62.300 -0.077 0.000 1.036 323 V CB -1.234 30.552 31.823 -0.062 0.000 0.654 323 V HN 0.537 nan 8.190 nan 0.000 0.451 324 A N 0.337 123.084 122.820 -0.123 0.000 1.902 324 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 324 A C 2.312 179.794 177.584 -0.171 0.000 1.181 324 A CA 2.196 54.157 52.037 -0.127 0.000 0.623 324 A CB -0.520 18.408 19.000 -0.119 0.000 0.818 324 A HN 0.455 nan 8.150 nan 0.000 0.443 325 R N 0.107 120.467 120.500 -0.234 0.000 2.092 325 R HA 0.049 4.389 4.340 -0.000 0.000 0.231 325 R C 2.093 178.155 176.300 -0.397 0.000 1.119 325 R CA 1.772 57.642 56.100 -0.384 0.000 0.970 325 R CB -0.825 29.149 30.300 -0.542 0.000 0.864 325 R HN 0.386 nan 8.270 nan 0.000 0.440 326 A N 0.636 123.315 122.820 -0.235 0.000 1.930 326 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 326 A C 1.922 179.396 177.584 -0.182 0.000 1.175 326 A CA 1.534 53.444 52.037 -0.211 0.000 0.627 326 A CB -0.349 18.578 19.000 -0.122 0.000 0.815 326 A HN 0.360 nan 8.150 nan 0.000 0.443 327 K N 0.406 120.723 120.400 -0.138 0.000 2.148 327 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 327 K C 2.077 178.615 176.600 -0.104 0.000 1.050 327 K CA 1.486 57.710 56.287 -0.105 0.000 0.942 327 K CB -0.146 32.303 32.500 -0.085 0.000 0.724 327 K HN 0.645 nan 8.250 nan 0.000 0.446 328 S N 0.680 116.303 115.700 -0.128 0.000 2.562 328 S HA -0.019 4.451 4.470 -0.000 0.000 0.221 328 S C 0.841 175.380 174.600 -0.103 0.000 0.975 328 S CA -0.243 57.890 58.200 -0.111 0.000 0.918 328 S CB -0.087 63.039 63.200 -0.123 0.000 0.772 328 S HN 0.133 nan 8.310 nan 0.000 0.531 329 R N 2.033 122.462 120.500 -0.118 0.000 2.404 329 R HA 0.243 4.583 4.340 -0.000 0.000 0.315 329 R C -0.946 175.328 176.300 -0.044 0.000 1.032 329 R CA -0.184 55.872 56.100 -0.073 0.000 0.992 329 R CB 0.188 30.427 30.300 -0.101 0.000 0.959 329 R HN 0.165 nan 8.270 nan 0.000 0.428 330 V N 6.316 126.220 119.914 -0.017 0.000 2.479 330 V HA 0.065 4.185 4.120 -0.000 0.000 0.281 330 V C 0.204 176.309 176.094 0.018 0.000 1.031 330 V CA -0.124 62.172 62.300 -0.007 0.000 1.038 330 V CB 1.079 32.902 31.823 -0.000 0.000 0.981 330 V HN 0.461 nan 8.190 nan 0.000 0.478 331 V N 4.858 124.781 119.914 0.016 0.000 2.483 331 V HA 1.010 5.130 4.120 -0.000 0.000 0.295 331 V C 0.646 176.743 176.094 0.004 0.000 1.035 331 V CA 0.545 62.886 62.300 0.069 0.000 0.896 331 V CB 1.082 32.962 31.823 0.094 0.000 0.986 331 V HN 1.156 nan 8.190 nan 0.000 0.447 332 G N 3.311 112.158 108.800 0.079 0.000 2.360 332 G HA2 0.128 4.088 3.960 -0.000 0.000 0.276 332 G HA3 0.128 4.088 3.960 -0.000 0.000 0.276 332 G C -1.061 173.917 174.900 0.130 0.000 1.256 332 G CA -0.857 44.190 45.100 -0.089 0.000 0.890 332 G HN 0.614 nan 8.290 nan 0.000 0.486 333 N N 2.152 120.877 118.700 0.041 0.000 2.414 333 N HA 0.196 4.936 4.740 -0.000 0.000 0.268 333 N C -0.500 175.080 175.510 0.117 0.000 1.286 333 N CA -1.110 52.017 53.050 0.128 0.000 0.896 333 N CB 1.386 39.925 38.487 0.087 0.000 1.093 333 N HN 0.155 nan 8.380 nan 0.000 0.480 334 P HA -0.159 nan 4.420 nan 0.000 0.219 334 P C 0.837 178.082 177.300 -0.092 0.000 1.146 334 P CA 1.316 64.372 63.100 -0.073 0.000 0.808 334 P CB -0.042 31.515 31.700 -0.238 0.000 0.779 335 F N -0.218 119.762 119.950 0.050 0.000 2.748 335 F HA 0.049 4.576 4.527 -0.000 0.000 0.299 335 F C 1.185 176.982 175.800 -0.004 0.000 1.154 335 F CA -0.099 57.904 58.000 0.006 0.000 1.446 335 F CB -0.266 38.694 39.000 -0.067 0.000 1.112 335 F HN -0.111 nan 8.300 nan 0.000 0.584 336 D N -0.554 119.946 120.400 0.166 0.000 2.264 336 D HA 0.084 4.724 4.640 -0.000 0.000 0.250 336 D C 1.051 177.408 176.300 0.096 0.000 1.113 336 D CA 0.168 54.227 54.000 0.100 0.000 0.871 336 D CB 1.588 42.425 40.800 0.063 0.000 1.167 336 D HN -0.148 nan 8.370 nan 0.000 0.447 337 S N 3.070 118.820 115.700 0.084 0.000 2.400 337 S HA -0.138 4.332 4.470 -0.000 0.000 0.232 337 S C 1.616 176.256 174.600 0.067 0.000 1.025 337 S CA 0.866 59.117 58.200 0.085 0.000 0.993 337 S CB 0.036 63.275 63.200 0.065 0.000 0.808 337 S HN 0.516 nan 8.310 nan 0.000 0.478 338 K N 1.004 121.433 120.400 0.048 0.000 2.366 338 K HA 0.069 4.389 4.320 -0.000 0.000 0.198 338 K C 0.276 176.901 176.600 0.040 0.000 1.044 338 K CA 0.363 56.672 56.287 0.036 0.000 0.973 338 K CB -0.240 32.271 32.500 0.018 0.000 0.767 338 K HN 0.271 nan 8.250 nan 0.000 0.475 339 T N 1.895 116.479 114.554 0.051 0.000 2.853 339 T HA 0.028 4.378 4.350 -0.000 0.000 0.298 339 T C 1.036 175.776 174.700 0.065 0.000 0.978 339 T CA 0.354 62.488 62.100 0.056 0.000 1.152 339 T CB 0.953 69.862 68.868 0.068 0.000 0.914 339 T HN 0.181 nan 8.240 nan 0.000 0.539 340 E N 1.742 121.981 120.200 0.065 0.000 2.290 340 E HA 0.054 4.404 4.350 -0.000 0.000 0.197 340 E C 0.796 177.443 176.600 0.079 0.000 0.948 340 E CA 0.187 56.637 56.400 0.083 0.000 0.895 340 E CB 0.568 30.318 29.700 0.083 0.000 0.865 340 E HN 0.554 nan 8.360 nan 0.000 0.486 341 Q N 0.346 120.189 119.800 0.070 0.000 2.292 341 Q HA 0.428 4.768 4.340 -0.000 0.000 0.270 341 Q C -0.588 175.467 176.000 0.091 0.000 1.024 341 Q CA -0.599 55.241 55.803 0.062 0.000 0.768 341 Q CB 1.797 30.576 28.738 0.068 0.000 1.250 341 Q HN 0.132 nan 8.270 nan 0.000 0.447 342 G N 3.175 111.979 108.800 0.007 0.000 2.543 342 G HA2 0.593 4.553 3.960 -0.000 0.000 0.267 342 G HA3 0.593 4.553 3.960 -0.000 0.000 0.267 342 G C -2.531 172.207 174.900 -0.270 0.000 1.406 342 G CA -0.981 44.094 45.100 -0.041 0.000 1.048 342 G HN 0.559 nan 8.290 nan 0.000 0.548 343 P HA 0.223 nan 4.420 nan 0.000 0.279 343 P C -0.907 176.171 177.300 -0.370 0.000 1.276 343 P CA -0.407 62.180 63.100 -0.855 0.000 0.801 343 P CB 1.030 32.012 31.700 -1.197 0.000 1.127 344 Q N -0.074 119.596 119.800 -0.217 0.000 2.312 344 Q HA 0.077 4.417 4.340 -0.000 0.000 0.236 344 Q C 1.392 177.245 176.000 -0.243 0.000 0.965 344 Q CA -0.477 55.231 55.803 -0.159 0.000 0.894 344 Q CB 0.516 29.240 28.738 -0.023 0.000 1.225 344 Q HN 0.214 nan 8.270 nan 0.000 0.478 345 V N 0.773 120.432 119.914 -0.425 0.000 2.278 345 V HA -0.245 3.875 4.120 -0.000 0.000 0.251 345 V C 0.525 176.345 176.094 -0.457 0.000 1.062 345 V CA 2.903 64.860 62.300 -0.572 0.000 1.038 345 V CB -0.052 31.014 31.823 -1.261 0.000 0.646 345 V HN 1.024 nan 8.190 nan 0.000 0.447 346 D N -3.317 116.746 120.400 -0.562 0.000 2.759 346 D HA 0.121 4.761 4.640 -0.000 0.000 0.321 346 D C 0.750 176.386 176.300 -1.106 0.000 1.267 346 D CA -0.013 53.565 54.000 -0.703 0.000 0.933 346 D CB 0.838 41.363 40.800 -0.459 0.000 1.431 346 D HN 0.073 nan 8.370 nan 0.000 0.504 347 E N -0.484 118.967 120.200 -1.248 0.000 2.077 347 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 347 E C 1.259 177.702 176.600 -0.261 0.000 0.989 347 E CA 1.776 57.677 56.400 -0.832 0.000 0.800 347 E CB -0.068 29.409 29.700 -0.372 0.000 0.746 347 E HN 0.538 nan 8.360 nan 0.000 0.452 348 T N 1.253 115.676 114.554 -0.219 0.000 2.665 348 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 348 T C 1.821 176.495 174.700 -0.043 0.000 1.035 348 T CA 1.277 63.322 62.100 -0.091 0.000 1.151 348 T CB -0.172 68.653 68.868 -0.072 0.000 0.862 348 T HN 0.151 nan 8.240 nan 0.000 0.438 349 Q N -0.096 119.654 119.800 -0.083 0.000 2.119 349 Q HA 0.024 4.364 4.340 -0.000 0.000 0.201 349 Q C 2.069 178.103 176.000 0.056 0.000 0.972 349 Q CA 0.940 56.748 55.803 0.008 0.000 0.847 349 Q CB -0.624 28.074 28.738 -0.067 0.000 0.903 349 Q HN 0.558 nan 8.270 nan 0.000 0.433 350 F N 1.801 121.653 119.950 -0.163 0.000 2.091 350 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 350 F C 2.251 178.049 175.800 -0.004 0.000 1.103 350 F CA 1.710 59.664 58.000 -0.077 0.000 1.228 350 F CB -0.066 38.863 39.000 -0.118 0.000 0.984 350 F HN -0.043 nan 8.300 nan 0.000 0.477 351 K N 0.122 120.491 120.400 -0.051 0.000 2.025 351 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 351 K C 2.297 178.845 176.600 -0.087 0.000 1.049 351 K CA 1.507 57.721 56.287 -0.122 0.000 0.933 351 K CB -0.233 32.256 32.500 -0.018 0.000 0.714 351 K HN 0.156 nan 8.250 nan 0.000 0.438 352 K N 0.846 121.241 120.400 -0.007 0.000 2.074 352 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 352 K C 1.884 178.571 176.600 0.146 0.000 1.048 352 K CA 1.486 57.802 56.287 0.049 0.000 0.926 352 K CB -0.052 32.534 32.500 0.143 0.000 0.713 352 K HN 0.121 nan 8.250 nan 0.000 0.444 353 I N 0.556 121.208 120.570 0.138 0.000 2.202 353 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 353 I C 2.054 178.226 176.117 0.092 0.000 1.091 353 I CA 0.960 62.367 61.300 0.179 0.000 1.368 353 I CB -0.203 37.862 38.000 0.108 0.000 1.058 353 I HN 0.152 nan 8.210 nan 0.000 0.410 354 L N 0.573 121.749 121.223 -0.078 0.000 2.127 354 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 354 L C 2.654 179.503 176.870 -0.036 0.000 1.089 354 L CA 1.491 56.266 54.840 -0.108 0.000 0.757 354 L CB -1.075 40.819 42.059 -0.274 0.000 0.899 354 L HN 0.336 nan 8.230 nan 0.000 0.434 355 G N -1.062 107.702 108.800 -0.061 0.000 2.421 355 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 355 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 355 G C 1.355 176.200 174.900 -0.092 0.000 1.171 355 G CA 0.542 45.576 45.100 -0.110 0.000 0.775 355 G HN 0.291 nan 8.290 nan 0.000 0.543 356 Y N 0.587 120.893 120.300 0.010 0.000 2.224 356 Y HA -0.005 4.545 4.550 -0.000 0.000 0.289 356 Y C 2.767 178.693 175.900 0.044 0.000 1.146 356 Y CA 0.699 58.808 58.100 0.016 0.000 1.182 356 Y CB -0.063 38.415 38.460 0.031 0.000 0.983 356 Y HN 0.125 nan 8.280 nan 0.000 0.524 357 I N -0.263 120.461 120.570 0.256 0.000 2.179 357 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 357 I C 2.269 178.545 176.117 0.265 0.000 1.088 357 I CA 1.306 62.807 61.300 0.336 0.000 1.357 357 I CB -0.421 37.722 38.000 0.238 0.000 1.051 357 I HN 0.264 nan 8.210 nan 0.000 0.409 358 N N 0.779 119.556 118.700 0.129 0.000 2.084 358 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 358 N C 1.804 177.343 175.510 0.049 0.000 1.030 358 N CA 1.859 54.956 53.050 0.079 0.000 0.849 358 N CB -0.302 38.199 38.487 0.023 0.000 1.012 358 N HN 0.210 nan 8.380 nan 0.000 0.423 359 T N -0.634 113.928 114.554 0.014 0.000 2.849 359 T HA -0.069 4.281 4.350 -0.000 0.000 0.270 359 T C 1.688 176.357 174.700 -0.052 0.000 1.066 359 T CA 1.296 63.384 62.100 -0.020 0.000 1.130 359 T CB -0.643 68.205 68.868 -0.034 0.000 0.864 359 T HN 0.423 nan 8.240 nan 0.000 0.481 360 G N 1.602 110.340 108.800 -0.103 0.000 2.404 360 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 360 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 360 G C 1.597 176.385 174.900 -0.187 0.000 1.174 360 G CA 0.425 45.282 45.100 -0.404 0.000 0.780 360 G HN 0.422 nan 8.290 nan 0.000 0.537 361 K N 0.073 120.525 120.400 0.086 0.000 2.097 361 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 361 K C 2.691 179.331 176.600 0.067 0.000 1.050 361 K CA 1.008 57.393 56.287 0.164 0.000 0.938 361 K CB -0.115 32.499 32.500 0.189 0.000 0.718 361 K HN 0.225 nan 8.250 nan 0.000 0.442 362 Q N 0.927 120.746 119.800 0.032 0.000 2.124 362 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 362 Q C 1.551 177.551 176.000 0.001 0.000 0.977 362 Q CA 1.414 57.225 55.803 0.014 0.000 0.850 362 Q CB -0.041 28.698 28.738 0.002 0.000 0.901 362 Q HN 0.486 nan 8.270 nan 0.000 0.429 363 E N -0.861 119.327 120.200 -0.021 0.000 2.481 363 E HA 0.052 4.402 4.350 -0.000 0.000 0.195 363 E C 0.832 177.423 176.600 -0.015 0.000 1.047 363 E CA 0.407 56.792 56.400 -0.026 0.000 0.867 363 E CB 0.289 29.958 29.700 -0.051 0.000 0.858 363 E HN 0.526 nan 8.360 nan 0.000 0.513 364 G N 0.914 109.715 108.800 0.002 0.000 2.184 364 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.206 364 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.206 364 G C 0.335 175.259 174.900 0.040 0.000 0.995 364 G CA -0.172 44.942 45.100 0.023 0.000 0.651 364 G HN 0.425 nan 8.290 nan 0.000 0.511 365 A N 0.396 123.227 122.820 0.017 0.000 2.440 365 A HA 0.588 4.908 4.320 -0.000 0.000 0.251 365 A C 0.602 178.333 177.584 0.245 0.000 1.089 365 A CA 0.471 52.549 52.037 0.067 0.000 0.779 365 A CB 0.350 19.250 19.000 -0.167 0.000 1.022 365 A HN 0.401 nan 8.150 nan 0.000 0.492 366 K N 2.284 122.838 120.400 0.257 0.000 2.315 366 K HA 0.211 4.531 4.320 -0.000 0.000 0.291 366 K C -0.627 176.121 176.600 0.248 0.000 1.074 366 K CA -0.383 56.039 56.287 0.225 0.000 0.936 366 K CB 0.077 32.675 32.500 0.164 0.000 1.049 366 K HN 0.591 nan 8.250 nan 0.000 0.471 367 L N 6.452 127.778 121.223 0.171 0.000 2.456 367 L HA 0.049 4.389 4.340 -0.000 0.000 0.277 367 L C 0.382 177.210 176.870 -0.070 0.000 1.124 367 L CA 0.608 55.400 54.840 -0.079 0.000 0.880 367 L CB 0.312 42.326 42.059 -0.075 0.000 1.192 367 L HN 0.754 nan 8.230 nan 0.000 0.463 368 L N 4.724 125.883 121.223 -0.106 0.000 2.354 368 L HA 0.174 4.514 4.340 -0.000 0.000 0.212 368 L C 0.486 177.314 176.870 -0.070 0.000 1.091 368 L CA 0.260 55.068 54.840 -0.052 0.000 0.828 368 L CB -0.186 41.860 42.059 -0.020 0.000 0.973 368 L HN 0.837 nan 8.230 nan 0.000 0.461 369 C N -3.417 115.814 119.300 -0.115 0.000 3.275 369 C HA 0.699 5.159 4.460 -0.000 0.000 0.345 369 C C 0.636 175.562 174.990 -0.108 0.000 1.257 369 C CA -0.762 58.203 59.018 -0.089 0.000 1.203 369 C CB 0.736 28.437 27.740 -0.064 0.000 1.492 369 C HN 0.620 nan 8.230 nan 0.000 0.484 370 G N 0.895 109.654 108.800 -0.069 0.000 2.566 370 G HA2 0.361 4.321 3.960 -0.000 0.000 0.280 370 G HA3 0.361 4.321 3.960 -0.000 0.000 0.280 370 G C 1.316 176.177 174.900 -0.065 0.000 1.225 370 G CA 2.309 47.379 45.100 -0.050 0.000 0.966 370 G HN 3.356 nan 8.290 nan 0.000 0.560 371 G N -2.129 106.640 108.800 -0.051 0.000 2.179 371 G HA2 0.448 4.408 3.960 -0.000 0.000 0.220 371 G HA3 0.448 4.408 3.960 -0.000 0.000 0.220 371 G C 1.375 176.279 174.900 0.007 0.000 0.990 371 G CA 0.955 46.031 45.100 -0.040 0.000 0.646 371 G HN 2.567 nan 8.290 nan 0.000 0.517 372 G N -1.010 107.802 108.800 0.020 0.000 2.866 372 G HA2 0.675 4.635 3.960 -0.000 0.000 0.289 372 G HA3 0.675 4.635 3.960 -0.000 0.000 0.289 372 G C -0.246 174.699 174.900 0.076 0.000 1.396 372 G CA -0.844 44.276 45.100 0.034 0.000 0.848 372 G HN 0.602 nan 8.290 nan 0.000 0.515 373 I N 1.132 121.767 120.570 0.109 0.000 2.648 373 I HA 0.213 4.383 4.170 -0.000 0.000 0.284 373 I C 1.431 177.647 176.117 0.165 0.000 1.153 373 I CA 0.025 61.455 61.300 0.217 0.000 1.426 373 I CB 1.644 39.810 38.000 0.277 0.000 1.381 373 I HN 0.556 nan 8.210 nan 0.000 0.571 374 A N 5.171 128.114 122.820 0.204 0.000 2.267 374 A HA 0.658 4.978 4.320 -0.000 0.000 0.213 374 A C 0.699 178.299 177.584 0.026 0.000 1.192 374 A CA 0.563 52.668 52.037 0.113 0.000 0.851 374 A CB 0.112 19.198 19.000 0.143 0.000 0.881 374 A HN 0.833 nan 8.150 nan 0.000 0.494 375 A N -0.748 122.108 122.820 0.060 0.000 2.599 375 A HA 0.514 4.834 4.320 -0.000 0.000 0.294 375 A C -0.469 177.124 177.584 0.015 0.000 1.055 375 A CA -0.110 51.897 52.037 -0.050 0.000 0.683 375 A CB 0.082 18.909 19.000 -0.289 0.000 1.278 375 A HN 0.024 nan 8.150 nan 0.000 0.412 376 D N 0.183 120.567 120.400 -0.025 0.000 2.149 376 D HA 0.046 4.686 4.640 -0.000 0.000 0.201 376 D C 0.874 177.150 176.300 -0.040 0.000 0.972 376 D CA 1.211 55.205 54.000 -0.012 0.000 0.835 376 D CB 0.094 40.879 40.800 -0.025 0.000 0.966 376 D HN 0.466 nan 8.370 nan 0.000 0.476 377 R N -0.083 120.380 120.500 -0.063 0.000 2.407 377 R HA 0.523 4.863 4.340 -0.000 0.000 0.303 377 R C 0.203 176.481 176.300 -0.036 0.000 0.981 377 R CA 0.213 56.262 56.100 -0.085 0.000 0.905 377 R CB 1.190 31.443 30.300 -0.078 0.000 1.099 377 R HN 0.180 nan 8.270 nan 0.000 0.459 378 G N 2.042 110.694 108.800 -0.246 0.000 2.795 378 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.664 378 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.664 378 G C -0.921 173.589 174.900 -0.650 0.000 1.381 378 G CA -0.486 44.351 45.100 -0.437 0.000 0.853 378 G HN 0.653 nan 8.290 nan 0.000 0.545 379 Y N -0.161 119.827 120.300 -0.521 0.000 2.880 379 Y HA 0.512 5.062 4.550 -0.000 0.000 0.386 379 Y C 0.772 176.408 175.900 -0.439 0.000 1.172 379 Y CA -0.722 56.886 58.100 -0.820 0.000 1.770 379 Y CB -0.112 37.970 38.460 -0.630 0.000 1.809 379 Y HN 0.334 nan 8.280 nan 0.000 0.472 380 F N 1.577 121.488 119.950 -0.066 0.000 2.396 380 F HA 0.461 4.988 4.527 -0.000 0.000 0.343 380 F C 0.268 176.232 175.800 0.274 0.000 1.104 380 F CA -0.725 57.329 58.000 0.091 0.000 1.161 380 F CB 0.652 39.660 39.000 0.013 0.000 1.146 380 F HN 0.040 nan 8.300 nan 0.000 0.522 381 I N 2.377 123.172 120.570 0.374 0.000 2.608 381 I HA 0.246 4.416 4.170 -0.000 0.000 0.295 381 I C -0.604 175.632 176.117 0.198 0.000 1.049 381 I CA -1.038 60.435 61.300 0.289 0.000 1.063 381 I CB 2.143 40.279 38.000 0.227 0.000 1.248 381 I HN 0.507 nan 8.210 nan 0.000 0.424 382 Q N 5.412 125.297 119.800 0.142 0.000 2.352 382 Q HA 0.214 4.554 4.340 -0.000 0.000 0.260 382 Q C -2.316 173.734 176.000 0.084 0.000 0.976 382 Q CA -1.553 54.303 55.803 0.088 0.000 0.881 382 Q CB 0.295 29.062 28.738 0.048 0.000 1.235 382 Q HN 0.243 nan 8.270 nan 0.000 0.419 383 P HA -0.032 nan 4.420 nan 0.000 0.259 383 P C -1.157 176.197 177.300 0.090 0.000 1.211 383 P CA 0.495 63.625 63.100 0.049 0.000 0.810 383 P CB 0.407 31.978 31.700 -0.215 0.000 0.815 384 T N 2.987 117.652 114.554 0.184 0.000 2.829 384 T HA 0.475 4.825 4.350 -0.000 0.000 0.282 384 T C -0.136 174.602 174.700 0.062 0.000 0.990 384 T CA -0.440 61.678 62.100 0.031 0.000 1.028 384 T CB 1.007 69.848 68.868 -0.046 0.000 0.951 384 T HN -0.056 nan 8.240 nan 0.000 0.460 385 V N 3.534 123.393 119.914 -0.092 0.000 2.577 385 V HA 0.504 4.624 4.120 -0.000 0.000 0.303 385 V C -1.081 174.912 176.094 -0.168 0.000 1.042 385 V CA -0.925 61.363 62.300 -0.020 0.000 0.872 385 V CB 1.415 33.281 31.823 0.071 0.000 0.998 385 V HN 0.838 nan 8.190 nan 0.000 0.423 386 F N 2.345 122.333 119.950 0.064 0.000 2.436 386 F HA 0.763 5.290 4.527 -0.000 0.000 0.340 386 F C 0.933 176.775 175.800 0.069 0.000 1.113 386 F CA -0.293 57.742 58.000 0.058 0.000 1.022 386 F CB 2.063 41.089 39.000 0.044 0.000 1.128 386 F HN 0.600 nan 8.300 nan 0.000 0.466 387 G N 0.773 109.743 108.800 0.283 0.000 2.461 387 G HA2 0.324 4.284 3.960 -0.000 0.000 0.329 387 G HA3 0.324 4.284 3.960 -0.000 0.000 0.329 387 G C -0.474 174.578 174.900 0.254 0.000 1.170 387 G CA -0.635 44.618 45.100 0.253 0.000 0.935 387 G HN 0.766 nan 8.290 nan 0.000 0.492 388 D N -1.027 119.554 120.400 0.302 0.000 2.708 388 D HA -0.168 4.472 4.640 -0.000 0.000 0.236 388 D C 0.621 176.982 176.300 0.101 0.000 1.146 388 D CA 0.614 54.714 54.000 0.167 0.000 0.662 388 D CB -1.088 39.778 40.800 0.110 0.000 1.059 388 D HN 0.172 nan 8.370 nan 0.000 0.428 389 V N 0.700 120.673 119.914 0.098 0.000 2.811 389 V HA 0.027 4.147 4.120 -0.000 0.000 0.302 389 V C 0.880 176.981 176.094 0.011 0.000 1.063 389 V CA 0.238 62.554 62.300 0.028 0.000 1.088 389 V CB 1.677 33.496 31.823 -0.006 0.000 0.982 389 V HN 0.077 nan 8.190 nan 0.000 0.485 390 Q N 1.665 121.465 119.800 -0.001 0.000 2.301 390 Q HA 0.326 4.666 4.340 -0.000 0.000 0.267 390 Q C 0.379 176.388 176.000 0.015 0.000 1.035 390 Q CA -0.760 55.053 55.803 0.016 0.000 0.856 390 Q CB 1.640 30.387 28.738 0.016 0.000 1.337 390 Q HN 0.673 nan 8.270 nan 0.000 0.450 391 D N 1.258 121.687 120.400 0.048 0.000 2.190 391 D HA -0.132 4.508 4.640 -0.000 0.000 0.200 391 D C 1.516 177.838 176.300 0.037 0.000 0.992 391 D CA 1.653 55.690 54.000 0.062 0.000 0.854 391 D CB -0.030 40.827 40.800 0.095 0.000 0.936 391 D HN 0.828 nan 8.370 nan 0.000 0.462 392 G N -0.069 108.747 108.800 0.025 0.000 2.511 392 G HA2 -0.048 3.911 3.960 -0.000 0.000 0.217 392 G HA3 -0.048 3.911 3.960 -0.000 0.000 0.217 392 G C 0.811 175.714 174.900 0.005 0.000 1.133 392 G CA -0.130 44.979 45.100 0.015 0.000 0.792 392 G HN 0.177 nan 8.290 nan 0.000 0.539 393 M N 0.708 120.304 119.600 -0.006 0.000 2.252 393 M HA 0.123 4.603 4.480 -0.000 0.000 0.333 393 M C 1.785 178.077 176.300 -0.014 0.000 1.111 393 M CA -0.013 55.273 55.300 -0.024 0.000 1.140 393 M CB 0.771 33.336 32.600 -0.058 0.000 1.538 393 M HN -0.094 nan 8.290 nan 0.000 0.448 394 T N 2.258 116.809 114.554 -0.004 0.000 2.746 394 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 394 T C 1.548 176.273 174.700 0.041 0.000 1.039 394 T CA 1.623 63.749 62.100 0.043 0.000 1.142 394 T CB -0.424 68.490 68.868 0.077 0.000 0.866 394 T HN 0.770 nan 8.240 nan 0.000 0.444 395 I N -0.358 120.200 120.570 -0.019 0.000 3.083 395 I HA 0.149 4.319 4.170 -0.000 0.000 0.273 395 I C 2.049 178.115 176.117 -0.084 0.000 1.297 395 I CA 0.871 62.125 61.300 -0.076 0.000 1.452 395 I CB -0.346 37.529 38.000 -0.209 0.000 1.078 395 I HN 0.078 nan 8.210 nan 0.000 0.484 396 A N 0.659 123.446 122.820 -0.054 0.000 2.348 396 A HA 0.265 4.585 4.320 -0.000 0.000 0.224 396 A C 2.003 179.592 177.584 0.008 0.000 1.227 396 A CA -0.086 51.928 52.037 -0.038 0.000 0.885 396 A CB 0.004 18.980 19.000 -0.039 0.000 0.933 396 A HN 0.429 nan 8.150 nan 0.000 0.506 397 K N -0.367 120.045 120.400 0.021 0.000 2.443 397 K HA 0.164 4.484 4.320 -0.000 0.000 0.200 397 K C -0.208 176.445 176.600 0.088 0.000 1.278 397 K CA 0.182 56.502 56.287 0.055 0.000 0.925 397 K CB 0.663 33.189 32.500 0.043 0.000 1.225 397 K HN 0.382 nan 8.250 nan 0.000 0.514 398 E N 1.884 122.116 120.200 0.054 0.000 2.216 398 E HA 0.081 4.431 4.350 -0.000 0.000 0.279 398 E C -0.807 175.712 176.600 -0.135 0.000 0.997 398 E CA -0.432 55.993 56.400 0.042 0.000 0.817 398 E CB 1.459 31.245 29.700 0.142 0.000 1.096 398 E HN -0.073 nan 8.360 nan 0.000 0.393 399 E N 3.045 123.181 120.200 -0.107 0.000 2.220 399 E HA 0.006 4.356 4.350 -0.000 0.000 0.272 399 E C 0.277 176.672 176.600 -0.341 0.000 1.099 399 E CA 0.288 56.554 56.400 -0.225 0.000 0.907 399 E CB 0.108 29.615 29.700 -0.321 0.000 1.022 399 E HN 0.511 nan 8.360 nan 0.000 0.428 400 I N 3.678 124.026 120.570 -0.369 0.000 2.286 400 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 400 I C 0.472 176.621 176.117 0.054 0.000 1.104 400 I CA 0.233 61.292 61.300 -0.401 0.000 1.397 400 I CB -0.061 37.761 38.000 -0.297 0.000 1.072 400 I HN 0.497 nan 8.210 nan 0.000 0.417 401 F N 1.518 121.408 119.950 -0.100 0.000 3.080 401 F HA -0.149 4.378 4.527 -0.000 0.000 0.292 401 F C 0.415 176.237 175.800 0.036 0.000 0.891 401 F CA 0.624 58.619 58.000 -0.008 0.000 1.086 401 F CB -1.572 37.463 39.000 0.059 0.000 1.095 401 F HN 0.161 nan 8.300 nan 0.000 0.633 402 G N -0.476 108.378 108.800 0.091 0.000 2.708 402 G HA2 0.644 4.604 3.960 -0.000 0.000 0.289 402 G HA3 0.644 4.604 3.960 -0.000 0.000 0.289 402 G C -2.820 172.084 174.900 0.007 0.000 1.416 402 G CA -0.771 44.358 45.100 0.050 0.000 0.829 402 G HN -0.143 nan 8.290 nan 0.000 0.480 403 P HA 0.186 nan 4.420 nan 0.000 0.238 403 P C -0.492 176.894 177.300 0.142 0.000 1.714 403 P CA 0.042 63.228 63.100 0.144 0.000 0.908 403 P CB 0.051 31.927 31.700 0.293 0.000 1.893 404 V N 2.671 122.575 119.914 -0.017 0.000 2.349 404 V HA 0.318 4.438 4.120 -0.000 0.000 0.284 404 V C 0.390 176.451 176.094 -0.053 0.000 1.014 404 V CA -0.666 61.667 62.300 0.054 0.000 0.826 404 V CB 1.784 33.700 31.823 0.155 0.000 1.009 404 V HN 0.274 nan 8.190 nan 0.000 0.431 405 M N 4.235 123.806 119.600 -0.050 0.000 2.233 405 M HA 0.553 5.033 4.480 -0.000 0.000 0.355 405 M C -0.742 175.613 176.300 0.091 0.000 1.191 405 M CA -0.241 55.008 55.300 -0.085 0.000 1.101 405 M CB 1.308 33.857 32.600 -0.085 0.000 1.592 405 M HN 0.616 nan 8.290 nan 0.000 0.461 406 Q N 5.013 124.834 119.800 0.034 0.000 2.333 406 Q HA 0.565 4.905 4.340 -0.000 0.000 0.268 406 Q C -1.320 174.687 176.000 0.013 0.000 1.007 406 Q CA 0.007 55.847 55.803 0.062 0.000 0.810 406 Q CB 1.954 30.683 28.738 -0.015 0.000 1.264 406 Q HN 0.705 nan 8.270 nan 0.000 0.452 407 I N 4.263 124.879 120.570 0.077 0.000 2.355 407 I HA 0.349 4.519 4.170 -0.000 0.000 0.288 407 I C -0.967 175.224 176.117 0.123 0.000 0.999 407 I CA -0.835 60.511 61.300 0.077 0.000 1.163 407 I CB 0.751 38.819 38.000 0.114 0.000 1.316 407 I HN 0.332 nan 8.210 nan 0.000 0.454 408 L N 6.610 127.846 121.223 0.022 0.000 2.334 408 L HA 0.549 4.889 4.340 -0.000 0.000 0.270 408 L C -0.046 176.995 176.870 0.284 0.000 1.018 408 L CA -0.499 54.379 54.840 0.064 0.000 0.811 408 L CB 1.119 43.035 42.059 -0.239 0.000 1.271 408 L HN 0.451 nan 8.230 nan 0.000 0.443 409 K N 1.245 121.782 120.400 0.229 0.000 2.203 409 K HA 0.735 5.055 4.320 -0.000 0.000 0.251 409 K C -1.528 175.248 176.600 0.294 0.000 0.944 409 K CA -0.496 55.894 56.287 0.172 0.000 0.829 409 K CB 1.573 33.889 32.500 -0.308 0.000 1.125 409 K HN 0.532 nan 8.250 nan 0.000 0.430 410 F N 0.612 120.637 119.950 0.125 0.000 2.662 410 F HA 0.450 4.977 4.527 -0.000 0.000 0.312 410 F C 0.057 175.895 175.800 0.063 0.000 1.113 410 F CA -0.903 57.163 58.000 0.109 0.000 0.951 410 F CB 1.612 40.704 39.000 0.154 0.000 1.344 410 F HN 0.544 nan 8.300 nan 0.000 0.462 411 K N -0.016 120.450 120.400 0.111 0.000 2.266 411 K HA 0.221 4.541 4.320 -0.000 0.000 0.209 411 K C 0.250 176.908 176.600 0.097 0.000 1.065 411 K CA 1.018 57.295 56.287 -0.016 0.000 0.946 411 K CB 0.282 32.797 32.500 0.025 0.000 1.069 411 K HN 0.902 nan 8.250 nan 0.000 0.472 412 T N -1.855 112.849 114.554 0.250 0.000 2.952 412 T HA 0.259 4.609 4.350 -0.000 0.000 0.286 412 T C 1.178 176.067 174.700 0.316 0.000 1.024 412 T CA -0.815 61.421 62.100 0.226 0.000 1.029 412 T CB 1.478 70.414 68.868 0.113 0.000 1.094 412 T HN 0.194 nan 8.240 nan 0.000 0.515 413 I N 0.311 121.008 120.570 0.213 0.000 2.315 413 I HA -0.084 4.086 4.170 -0.000 0.000 0.248 413 I C 2.103 178.290 176.117 0.116 0.000 1.117 413 I CA 1.415 62.813 61.300 0.165 0.000 1.404 413 I CB -0.040 38.038 38.000 0.129 0.000 1.071 413 I HN 0.758 nan 8.210 nan 0.000 0.419 414 E N 0.610 120.867 120.200 0.096 0.000 2.150 414 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 414 E C 1.937 178.563 176.600 0.044 0.000 0.985 414 E CA 1.201 57.660 56.400 0.098 0.000 0.814 414 E CB -0.179 29.556 29.700 0.059 0.000 0.752 414 E HN 0.537 nan 8.360 nan 0.000 0.466 415 E N 0.491 120.717 120.200 0.043 0.000 2.028 415 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 415 E C 2.116 178.656 176.600 -0.100 0.000 0.988 415 E CA 1.158 57.569 56.400 0.020 0.000 0.799 415 E CB -0.069 29.692 29.700 0.103 0.000 0.755 415 E HN 0.169 nan 8.360 nan 0.000 0.447 416 V N 0.575 120.345 119.914 -0.239 0.000 2.469 416 V HA -0.209 3.911 4.120 -0.000 0.000 0.251 416 V C 2.318 178.107 176.094 -0.508 0.000 1.064 416 V CA 1.514 63.438 62.300 -0.627 0.000 1.066 416 V CB -0.059 30.999 31.823 -1.275 0.000 0.667 416 V HN 0.229 nan 8.190 nan 0.000 0.461 417 V N 0.768 120.517 119.914 -0.275 0.000 2.255 417 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 417 V C 2.707 178.693 176.094 -0.181 0.000 1.051 417 V CA 2.367 64.544 62.300 -0.205 0.000 1.018 417 V CB -1.537 30.229 31.823 -0.095 0.000 0.641 417 V HN 0.633 nan 8.190 nan 0.000 0.445 418 G N -0.411 108.315 108.800 -0.124 0.000 2.418 418 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 418 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 418 G C 1.736 176.579 174.900 -0.095 0.000 1.158 418 G CA 0.795 45.845 45.100 -0.084 0.000 0.771 418 G HN 0.472 nan 8.290 nan 0.000 0.545 419 R N 0.441 120.852 120.500 -0.149 0.000 2.073 419 R HA 0.138 4.478 4.340 -0.000 0.000 0.229 419 R C 3.011 179.233 176.300 -0.129 0.000 1.120 419 R CA 1.007 57.045 56.100 -0.104 0.000 0.967 419 R CB -0.340 29.912 30.300 -0.081 0.000 0.862 419 R HN 0.335 nan 8.270 nan 0.000 0.436 420 A N 1.639 124.239 122.820 -0.368 0.000 1.898 420 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 420 A C 1.689 179.232 177.584 -0.070 0.000 1.181 420 A CA 1.397 53.282 52.037 -0.253 0.000 0.620 420 A CB -0.343 18.426 19.000 -0.384 0.000 0.819 420 A HN 0.213 nan 8.150 nan 0.000 0.442 421 N N 0.366 119.010 118.700 -0.093 0.000 2.331 421 N HA -0.080 4.660 4.740 -0.000 0.000 0.180 421 N C 0.441 175.943 175.510 -0.012 0.000 1.019 421 N CA 0.518 53.541 53.050 -0.045 0.000 0.881 421 N CB -0.561 37.891 38.487 -0.058 0.000 0.972 421 N HN 0.417 nan 8.380 nan 0.000 0.435 422 N N 1.139 119.834 118.700 -0.007 0.000 2.605 422 N HA 0.025 4.765 4.740 -0.000 0.000 0.282 422 N C -1.254 174.273 175.510 0.029 0.000 1.206 422 N CA 0.195 53.250 53.050 0.009 0.000 1.074 422 N CB -0.260 38.236 38.487 0.015 0.000 1.434 422 N HN -0.056 nan 8.380 nan 0.000 0.506 423 S N 0.400 116.109 115.700 0.015 0.000 2.567 423 S HA 0.279 4.749 4.470 -0.000 0.000 0.270 423 S C 0.690 175.263 174.600 -0.045 0.000 1.152 423 S CA -0.601 57.606 58.200 0.012 0.000 0.835 423 S CB 0.520 63.771 63.200 0.085 0.000 1.115 423 S HN 0.306 nan 8.310 nan 0.000 0.459 424 T N 2.029 116.489 114.554 -0.158 0.000 3.055 424 T HA 0.181 4.531 4.350 -0.000 0.000 0.265 424 T C -0.027 174.507 174.700 -0.278 0.000 1.111 424 T CA 1.161 63.095 62.100 -0.276 0.000 1.118 424 T CB -0.311 68.282 68.868 -0.458 0.000 0.909 424 T HN 0.526 nan 8.240 nan 0.000 0.501 425 Y N -0.312 119.990 120.300 0.003 0.000 2.432 425 Y HA 0.583 5.133 4.550 -0.000 0.000 0.322 425 Y C 1.200 177.097 175.900 -0.005 0.000 1.246 425 Y CA -1.038 57.060 58.100 -0.003 0.000 1.268 425 Y CB 1.564 40.022 38.460 -0.004 0.000 1.276 425 Y HN -0.036 nan 8.280 nan 0.000 0.499 426 G N 0.806 109.705 108.800 0.166 0.000 5.569 426 G HA2 0.085 4.045 3.960 -0.000 0.000 0.192 426 G HA3 0.085 4.045 3.960 -0.000 0.000 0.192 426 G C -0.152 174.686 174.900 -0.103 0.000 0.708 426 G CA -0.263 44.847 45.100 0.017 0.000 0.628 426 G HN 0.548 nan 8.290 nan 0.000 0.345 427 L N 0.617 121.804 121.223 -0.061 0.000 2.044 427 L HA 0.717 5.057 4.340 -0.000 0.000 0.205 427 L C 1.183 177.950 176.870 -0.171 0.000 1.075 427 L CA 2.332 57.089 54.840 -0.137 0.000 0.747 427 L CB -0.007 42.014 42.059 -0.063 0.000 0.903 427 L HN 0.464 nan 8.230 nan 0.000 0.435 428 A N -2.204 120.563 122.820 -0.087 0.000 2.588 428 A HA 0.898 5.218 4.320 -0.000 0.000 0.290 428 A C -1.450 176.093 177.584 -0.069 0.000 1.136 428 A CA -0.100 51.834 52.037 -0.171 0.000 0.681 428 A CB 0.943 19.880 19.000 -0.106 0.000 1.282 428 A HN 0.476 nan 8.150 nan 0.000 0.421 429 A N -1.203 121.552 122.820 -0.109 0.000 2.586 429 A HA 0.991 5.311 4.320 -0.000 0.000 0.291 429 A C -0.722 176.953 177.584 0.152 0.000 1.062 429 A CA 0.109 52.187 52.037 0.067 0.000 0.666 429 A CB 0.619 19.599 19.000 -0.035 0.000 1.281 429 A HN 2.682 nan 8.150 nan 0.000 0.421 430 A N -0.201 122.805 122.820 0.311 0.000 2.572 430 A HA 0.799 5.119 4.320 -0.000 0.000 0.295 430 A C -1.491 176.288 177.584 0.326 0.000 1.072 430 A CA -0.469 51.799 52.037 0.385 0.000 0.691 430 A CB 1.547 20.988 19.000 0.734 0.000 1.291 430 A HN 1.810 nan 8.150 nan 0.000 0.404 431 V N 0.951 121.000 119.914 0.225 0.000 2.638 431 V HA 0.590 4.710 4.120 -0.000 0.000 0.306 431 V C -1.548 174.628 176.094 0.136 0.000 1.052 431 V CA -0.311 62.119 62.300 0.216 0.000 0.885 431 V CB 1.588 33.474 31.823 0.106 0.000 0.999 431 V HN 0.717 nan 8.190 nan 0.000 0.424 432 F N 2.656 122.709 119.950 0.172 0.000 2.403 432 F HA 0.773 5.300 4.527 -0.000 0.000 0.355 432 F C 0.331 176.233 175.800 0.171 0.000 1.119 432 F CA -0.195 57.917 58.000 0.187 0.000 1.007 432 F CB 2.029 41.142 39.000 0.189 0.000 1.194 432 F HN 0.551 nan 8.300 nan 0.000 0.443 433 T N 1.876 116.576 114.554 0.242 0.000 2.775 433 T HA 0.303 4.653 4.350 -0.000 0.000 0.320 433 T C 0.002 174.788 174.700 0.144 0.000 1.597 433 T CA -0.674 61.542 62.100 0.193 0.000 1.022 433 T CB 1.569 70.533 68.868 0.160 0.000 1.485 433 T HN 0.633 nan 8.240 nan 0.000 0.494 434 K N 0.500 120.975 120.400 0.124 0.000 2.354 434 K HA 0.186 4.506 4.320 -0.000 0.000 0.194 434 K C -0.250 176.393 176.600 0.071 0.000 1.038 434 K CA -0.095 56.248 56.287 0.093 0.000 1.052 434 K CB 0.301 32.854 32.500 0.088 0.000 0.861 434 K HN 0.533 nan 8.250 nan 0.000 0.535 435 D N 1.100 121.546 120.400 0.077 0.000 2.277 435 D HA 0.017 4.656 4.640 -0.000 0.000 0.249 435 D C 0.907 177.243 176.300 0.061 0.000 1.134 435 D CA -0.286 53.752 54.000 0.063 0.000 0.863 435 D CB 1.089 41.927 40.800 0.064 0.000 1.143 435 D HN -0.164 nan 8.370 nan 0.000 0.458 436 L N 4.155 125.407 121.223 0.048 0.000 1.989 436 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 436 L C 1.258 178.161 176.870 0.055 0.000 1.071 436 L CA 1.953 56.820 54.840 0.045 0.000 0.749 436 L CB -0.522 41.558 42.059 0.035 0.000 0.890 436 L HN 0.509 nan 8.230 nan 0.000 0.431 437 D N -0.322 120.110 120.400 0.053 0.000 2.144 437 D HA -0.179 4.461 4.640 -0.000 0.000 0.199 437 D C 2.178 178.537 176.300 0.099 0.000 0.984 437 D CA 1.302 55.340 54.000 0.063 0.000 0.834 437 D CB -0.069 40.753 40.800 0.036 0.000 0.955 437 D HN 0.445 nan 8.370 nan 0.000 0.465 438 K N 0.489 120.944 120.400 0.093 0.000 2.057 438 K HA 0.019 4.339 4.320 -0.000 0.000 0.206 438 K C 2.148 178.838 176.600 0.150 0.000 1.050 438 K CA 0.992 57.359 56.287 0.133 0.000 0.935 438 K CB -0.025 32.544 32.500 0.114 0.000 0.715 438 K HN 0.014 nan 8.250 nan 0.000 0.439 439 A N 2.015 124.896 122.820 0.103 0.000 1.877 439 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 439 A C 1.824 179.444 177.584 0.060 0.000 1.186 439 A CA 1.640 53.721 52.037 0.073 0.000 0.620 439 A CB -0.467 18.563 19.000 0.051 0.000 0.822 439 A HN 0.216 nan 8.150 nan 0.000 0.443 440 N N -1.595 117.147 118.700 0.071 0.000 2.188 440 N HA -0.135 4.605 4.740 -0.000 0.000 0.184 440 N C 1.567 177.118 175.510 0.069 0.000 1.018 440 N CA 1.545 54.628 53.050 0.056 0.000 0.858 440 N CB -0.550 37.971 38.487 0.058 0.000 0.989 440 N HN 0.668 nan 8.380 nan 0.000 0.426 441 Y N 1.604 121.905 120.300 0.000 0.000 2.145 441 Y HA -0.042 4.508 4.550 -0.000 0.000 0.286 441 Y C 2.174 178.065 175.900 -0.016 0.000 1.145 441 Y CA 1.331 59.428 58.100 -0.005 0.000 1.148 441 Y CB -0.459 38.001 38.460 0.001 0.000 0.981 441 Y HN -0.054 nan 8.280 nan 0.000 0.507 442 L N -0.269 120.922 121.223 -0.055 0.000 2.056 442 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 442 L C 2.720 179.492 176.870 -0.163 0.000 1.078 442 L CA 1.569 56.316 54.840 -0.154 0.000 0.749 442 L CB -0.854 41.200 42.059 -0.008 0.000 0.901 442 L HN 0.372 nan 8.230 nan 0.000 0.433 443 S N -0.973 114.669 115.700 -0.097 0.000 2.419 443 S HA -0.297 4.173 4.470 -0.000 0.000 0.235 443 S C 1.864 176.388 174.600 -0.128 0.000 1.019 443 S CA 1.407 59.545 58.200 -0.103 0.000 0.982 443 S CB -0.346 62.813 63.200 -0.069 0.000 0.789 443 S HN 0.512 nan 8.310 nan 0.000 0.490 444 Q N 0.820 120.533 119.800 -0.144 0.000 2.204 444 Q HA 0.185 4.525 4.340 -0.000 0.000 0.198 444 Q C 2.246 178.136 176.000 -0.183 0.000 0.946 444 Q CA 0.856 56.577 55.803 -0.137 0.000 0.859 444 Q CB -0.337 28.335 28.738 -0.110 0.000 0.946 444 Q HN 0.682 nan 8.270 nan 0.000 0.474 445 A N 0.879 123.513 122.820 -0.309 0.000 1.929 445 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 445 A C 1.034 178.492 177.584 -0.210 0.000 1.176 445 A CA 0.177 52.019 52.037 -0.325 0.000 0.628 445 A CB -0.379 18.263 19.000 -0.597 0.000 0.816 445 A HN 0.350 nan 8.150 nan 0.000 0.444 446 L N 0.939 122.043 121.223 -0.199 0.000 2.462 446 L HA 0.049 4.389 4.340 -0.000 0.000 0.272 446 L C 0.045 176.833 176.870 -0.136 0.000 1.166 446 L CA -0.062 54.682 54.840 -0.160 0.000 0.880 446 L CB 0.361 42.325 42.059 -0.159 0.000 1.142 446 L HN 0.405 nan 8.230 nan 0.000 0.473 447 Q N 3.600 123.342 119.800 -0.096 0.000 2.681 447 Q HA 0.535 4.875 4.340 -0.000 0.000 0.222 447 Q C -0.438 175.411 176.000 -0.250 0.000 1.258 447 Q CA -0.257 55.528 55.803 -0.031 0.000 1.014 447 Q CB 0.980 29.778 28.738 0.099 0.000 1.384 447 Q HN 0.706 nan 8.270 nan 0.000 0.570 448 A N 0.057 122.515 122.820 -0.603 0.000 2.549 448 A HA 0.672 4.992 4.320 -0.000 0.000 0.297 448 A C 0.842 177.766 177.584 -1.099 0.000 1.061 448 A CA -0.438 51.163 52.037 -0.726 0.000 0.690 448 A CB 1.185 19.954 19.000 -0.384 0.000 1.287 448 A HN 0.581 nan 8.150 nan 0.000 0.402 449 G N -0.005 108.235 108.800 -0.934 0.000 2.448 449 G HA2 0.289 4.249 3.960 -0.000 0.000 0.219 449 G HA3 0.289 4.249 3.960 -0.000 0.000 0.219 449 G C 0.462 175.078 174.900 -0.474 0.000 1.127 449 G CA 1.654 46.354 45.100 -0.665 0.000 0.766 449 G HN 0.869 nan 8.290 nan 0.000 0.552 450 T N -0.241 114.005 114.554 -0.513 0.000 2.928 450 T HA 0.485 4.835 4.350 -0.000 0.000 0.296 450 T C -1.144 173.115 174.700 -0.735 0.000 1.000 450 T CA -0.420 61.307 62.100 -0.622 0.000 0.989 450 T CB 2.682 71.090 68.868 -0.767 0.000 1.005 450 T HN -0.114 nan 8.240 nan 0.000 0.442 451 V N 3.973 123.523 119.914 -0.606 0.000 2.350 451 V HA 0.429 4.548 4.120 -0.000 0.000 0.285 451 V C -0.663 175.214 176.094 -0.361 0.000 1.014 451 V CA -0.973 61.074 62.300 -0.422 0.000 0.831 451 V CB 1.133 32.808 31.823 -0.247 0.000 1.000 451 V HN 0.764 nan 8.190 nan 0.000 0.433 452 W N 3.683 124.879 121.300 -0.173 0.000 2.376 452 W HA 0.627 5.287 4.660 -0.000 0.000 0.322 452 W C -0.511 175.913 176.519 -0.158 0.000 1.160 452 W CA -0.678 56.557 57.345 -0.183 0.000 1.218 452 W CB 1.837 31.145 29.460 -0.252 0.000 1.205 452 W HN 0.254 nan 8.180 nan 0.000 0.559 453 V N 4.639 124.589 119.914 0.061 0.000 2.378 453 V HA 0.136 4.256 4.120 -0.000 0.000 0.288 453 V C 0.114 176.088 176.094 -0.200 0.000 1.016 453 V CA -0.990 61.264 62.300 -0.077 0.000 0.840 453 V CB 1.140 32.946 31.823 -0.028 0.000 0.994 453 V HN 0.663 nan 8.190 nan 0.000 0.431 454 N N 2.238 120.580 118.700 -0.598 0.000 2.735 454 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 454 N C -0.295 175.048 175.510 -0.278 0.000 1.083 454 N CA 1.252 53.891 53.050 -0.685 0.000 0.703 454 N CB -1.115 37.339 38.487 -0.054 0.000 1.005 454 N HN 1.074 nan 8.380 nan 0.000 0.550 455 C N -4.409 114.633 119.300 -0.429 0.000 3.211 455 C HA 0.788 5.248 4.460 -0.000 0.000 0.350 455 C C -1.160 173.820 174.990 -0.017 0.000 1.413 455 C CA -1.400 57.615 59.018 -0.006 0.000 1.203 455 C CB 1.680 29.435 27.740 0.025 0.000 1.506 455 C HN 0.287 nan 8.230 nan 0.000 0.448 456 Y N -0.174 119.887 120.300 -0.398 0.000 2.604 456 Y HA 0.453 5.003 4.550 -0.000 0.000 0.331 456 Y C -0.381 174.839 175.900 -1.134 0.000 1.158 456 Y CA 0.381 57.975 58.100 -0.844 0.000 1.056 456 Y CB 1.285 39.598 38.460 -0.245 0.000 1.330 456 Y HN 1.028 nan 8.280 nan 0.000 0.457 457 D N 2.090 121.154 120.400 -2.226 0.000 2.751 457 D HA -0.134 4.506 4.640 -0.000 0.000 0.233 457 D C -0.901 174.876 176.300 -0.871 0.000 1.149 457 D CA 0.999 54.235 54.000 -1.273 0.000 0.682 457 D CB -0.934 39.646 40.800 -0.366 0.000 1.068 457 D HN 0.160 nan 8.370 nan 0.000 0.429 458 V N 1.470 120.767 119.914 -1.028 0.000 2.284 458 V HA 0.267 4.387 4.120 -0.000 0.000 0.260 458 V C 0.478 176.468 176.094 -0.174 0.000 1.084 458 V CA -0.293 61.801 62.300 -0.344 0.000 0.894 458 V CB -0.300 31.414 31.823 -0.182 0.000 1.119 458 V HN -0.004 nan 8.190 nan 0.000 0.484 459 F N 2.228 122.221 119.950 0.072 0.000 2.421 459 F HA 0.752 5.279 4.527 -0.000 0.000 0.337 459 F C 0.941 176.758 175.800 0.029 0.000 1.105 459 F CA -0.401 57.630 58.000 0.052 0.000 1.049 459 F CB 1.827 40.855 39.000 0.047 0.000 1.139 459 F HN 0.468 nan 8.300 nan 0.000 0.479 460 G N 0.575 109.471 108.800 0.161 0.000 2.495 460 G HA2 0.512 4.472 3.960 -0.000 0.000 0.318 460 G HA3 0.512 4.472 3.960 -0.000 0.000 0.318 460 G C 0.296 175.153 174.900 -0.072 0.000 1.257 460 G CA -0.502 44.620 45.100 0.037 0.000 0.962 460 G HN 0.872 nan 8.290 nan 0.000 0.483 461 A N 1.163 123.871 122.820 -0.187 0.000 2.070 461 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 461 A C 2.136 179.144 177.584 -0.959 0.000 1.159 461 A CA 1.753 53.526 52.037 -0.440 0.000 0.656 461 A CB -0.134 18.599 19.000 -0.444 0.000 0.800 461 A HN 0.584 nan 8.150 nan 0.000 0.453 462 Q N -0.009 119.338 119.800 -0.754 0.000 2.245 462 Q HA 0.140 4.480 4.340 -0.000 0.000 0.201 462 Q C 0.527 176.492 176.000 -0.058 0.000 0.955 462 Q CA 0.733 56.259 55.803 -0.461 0.000 0.870 462 Q CB 0.003 28.674 28.738 -0.112 0.000 0.945 462 Q HN 0.456 nan 8.270 nan 0.000 0.461 463 S N 2.378 118.051 115.700 -0.045 0.000 2.480 463 S HA 0.358 4.828 4.470 -0.000 0.000 0.286 463 S C -2.442 172.192 174.600 0.057 0.000 1.180 463 S CA -1.375 56.853 58.200 0.047 0.000 1.075 463 S CB 1.006 64.225 63.200 0.031 0.000 0.996 463 S HN 0.069 nan 8.310 nan 0.000 0.487 464 P HA 0.217 nan 4.420 nan 0.000 0.271 464 P C -1.026 176.307 177.300 0.056 0.000 1.218 464 P CA -0.203 62.924 63.100 0.045 0.000 0.780 464 P CB 0.314 31.938 31.700 -0.127 0.000 0.901 465 F N 2.233 122.092 119.950 -0.152 0.000 2.579 465 F HA 0.671 5.198 4.527 -0.000 0.000 0.325 465 F C -0.433 175.291 175.800 -0.127 0.000 1.162 465 F CA -0.057 57.858 58.000 -0.140 0.000 0.946 465 F CB 1.706 40.628 39.000 -0.130 0.000 1.211 465 F HN 0.590 nan 8.300 nan 0.000 0.447 466 G N 2.223 110.636 108.800 -0.645 0.000 2.550 466 G HA2 0.570 4.530 3.960 -0.000 0.000 0.293 466 G HA3 0.570 4.530 3.960 -0.000 0.000 0.293 466 G C -1.567 173.061 174.900 -0.454 0.000 1.402 466 G CA -0.283 44.489 45.100 -0.547 0.000 0.784 466 G HN 0.997 nan 8.290 nan 0.000 0.482 467 G N -1.665 106.984 108.800 -0.252 0.000 2.630 467 G HA2 0.623 4.583 3.960 -0.000 0.000 0.296 467 G HA3 0.623 4.583 3.960 -0.000 0.000 0.296 467 G C -1.552 173.431 174.900 0.139 0.000 1.285 467 G CA -0.598 44.429 45.100 -0.121 0.000 0.958 467 G HN 0.374 nan 8.290 nan 0.000 0.479 468 Y N 0.414 120.651 120.300 -0.105 0.000 2.519 468 Y HA 0.470 5.020 4.550 -0.000 0.000 0.324 468 Y C 1.430 177.300 175.900 -0.049 0.000 1.214 468 Y CA -1.273 56.779 58.100 -0.081 0.000 1.260 468 Y CB 1.263 39.675 38.460 -0.079 0.000 1.311 468 Y HN 0.841 nan 8.280 nan 0.000 0.505 469 K N -0.488 119.969 120.400 0.094 0.000 1.867 469 K HA -0.288 4.032 4.320 -0.000 0.000 0.140 469 K C 0.602 177.215 176.600 0.022 0.000 1.408 469 K CA 1.742 58.047 56.287 0.029 0.000 0.461 469 K CB -1.044 31.475 32.500 0.032 0.000 0.594 469 K HN 0.556 nan 8.250 nan 0.000 0.888 470 M N 1.192 120.795 119.600 0.006 0.000 2.654 470 M HA 0.024 4.504 4.480 -0.000 0.000 0.217 470 M C 0.650 177.027 176.300 0.128 0.000 1.183 470 M CA 0.830 56.136 55.300 0.010 0.000 0.991 470 M CB -0.165 32.378 32.600 -0.095 0.000 1.749 470 M HN 0.318 nan 8.290 nan 0.000 0.475 471 S N 0.062 115.850 115.700 0.146 0.000 2.556 471 S HA 0.403 4.873 4.470 -0.000 0.000 0.216 471 S C 0.901 175.529 174.600 0.048 0.000 0.970 471 S CA 0.343 58.632 58.200 0.149 0.000 0.912 471 S CB 0.451 63.710 63.200 0.098 0.000 0.790 471 S HN 0.782 nan 8.310 nan 0.000 0.504 472 G N 0.891 109.716 108.800 0.043 0.000 2.408 472 G HA2 0.058 4.018 3.960 -0.000 0.000 0.682 472 G HA3 0.058 4.018 3.960 -0.000 0.000 0.682 472 G C -0.971 173.923 174.900 -0.011 0.000 1.303 472 G CA -0.652 44.457 45.100 0.015 0.000 0.966 472 G HN 0.375 nan 8.290 nan 0.000 0.560 473 S N -0.751 114.935 115.700 -0.023 0.000 2.599 473 S HA 1.012 5.482 4.470 -0.000 0.000 0.294 473 S C 0.535 175.102 174.600 -0.054 0.000 1.094 473 S CA 0.640 58.815 58.200 -0.042 0.000 0.931 473 S CB 1.434 64.609 63.200 -0.042 0.000 1.093 473 S HN 2.825 nan 8.310 nan 0.000 0.488 474 G N 1.297 110.059 108.800 -0.062 0.000 2.787 474 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.685 474 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.685 474 G C -1.274 173.581 174.900 -0.076 0.000 1.437 474 G CA -0.913 44.148 45.100 -0.065 0.000 0.872 474 G HN 0.643 nan 8.290 nan 0.000 0.566 475 R N 0.318 120.784 120.500 -0.056 0.000 2.888 475 R HA 0.717 5.057 4.340 -0.000 0.000 0.266 475 R C -0.076 176.216 176.300 -0.013 0.000 1.020 475 R CA -0.735 55.327 56.100 -0.064 0.000 0.963 475 R CB 1.807 32.066 30.300 -0.068 0.000 1.197 475 R HN 0.765 nan 8.270 nan 0.000 0.481 476 E N 0.909 121.092 120.200 -0.029 0.000 2.336 476 E HA 0.557 4.907 4.350 -0.000 0.000 0.267 476 E C -0.613 175.967 176.600 -0.033 0.000 0.906 476 E CA -0.908 55.476 56.400 -0.026 0.000 0.781 476 E CB 2.177 31.815 29.700 -0.103 0.000 1.261 476 E HN 0.332 nan 8.360 nan 0.000 0.436 477 L N 0.338 121.574 121.223 0.020 0.000 0.586 477 L HA -0.253 4.087 4.340 -0.000 0.000 0.356 477 L C 0.531 177.529 176.870 0.213 0.000 1.004 477 L CA 0.883 55.771 54.840 0.080 0.000 1.223 477 L CB -1.069 40.863 42.059 -0.212 0.000 0.012 477 L HN 1.012 nan 8.230 nan 0.000 0.092 478 G N 0.835 109.766 108.800 0.218 0.000 2.750 478 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.228 478 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.228 478 G C 0.361 175.479 174.900 0.363 0.000 1.367 478 G CA 0.766 46.093 45.100 0.377 0.000 0.871 478 G HN 1.127 nan 8.290 nan 0.000 0.560 479 E N -0.970 119.345 120.200 0.192 0.000 2.204 479 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 479 E C 2.074 178.440 176.600 -0.391 0.000 0.989 479 E CA 1.653 57.838 56.400 -0.358 0.000 0.824 479 E CB -0.134 29.385 29.700 -0.301 0.000 0.756 479 E HN 0.625 nan 8.360 nan 0.000 0.477 480 Y N -0.459 119.808 120.300 -0.055 0.000 2.352 480 Y HA -0.019 4.531 4.550 -0.000 0.000 0.292 480 Y C 2.418 178.278 175.900 -0.066 0.000 1.136 480 Y CA 0.913 58.982 58.100 -0.052 0.000 1.227 480 Y CB -0.507 37.948 38.460 -0.008 0.000 0.991 480 Y HN 0.139 nan 8.280 nan 0.000 0.545 481 G N -0.003 108.873 108.800 0.126 0.000 2.471 481 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 481 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 481 G C 1.519 176.435 174.900 0.025 0.000 1.125 481 G CA 0.714 45.876 45.100 0.103 0.000 0.775 481 G HN 0.383 nan 8.290 nan 0.000 0.548 482 L N -0.521 120.580 121.223 -0.204 0.000 2.240 482 L HA -0.008 4.332 4.340 -0.000 0.000 0.211 482 L C 2.988 179.702 176.870 -0.261 0.000 1.106 482 L CA 0.594 55.192 54.840 -0.403 0.000 0.793 482 L CB -0.388 41.007 42.059 -1.107 0.000 0.927 482 L HN 0.236 nan 8.230 nan 0.000 0.446 483 Q N 0.284 119.978 119.800 -0.176 0.000 2.096 483 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 483 Q C 2.443 178.412 176.000 -0.051 0.000 0.982 483 Q CA 1.766 57.547 55.803 -0.037 0.000 0.850 483 Q CB -0.275 28.467 28.738 0.008 0.000 0.901 483 Q HN 0.563 nan 8.270 nan 0.000 0.422 484 A N -0.213 122.555 122.820 -0.086 0.000 2.070 484 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 484 A C 0.826 178.178 177.584 -0.386 0.000 1.159 484 A CA 1.009 52.902 52.037 -0.240 0.000 0.656 484 A CB -0.328 18.476 19.000 -0.326 0.000 0.800 484 A HN 0.421 nan 8.150 nan 0.000 0.453 485 Y N -0.130 120.128 120.300 -0.070 0.000 2.708 485 Y HA 0.299 4.849 4.550 -0.000 0.000 0.287 485 Y C 0.242 176.136 175.900 -0.010 0.000 1.145 485 Y CA 0.020 58.090 58.100 -0.048 0.000 1.249 485 Y CB 0.317 38.737 38.460 -0.066 0.000 1.152 485 Y HN 0.039 nan 8.280 nan 0.000 0.532 486 T N 0.278 114.873 114.554 0.067 0.000 2.912 486 T HA 0.393 4.743 4.350 -0.000 0.000 0.299 486 T C -0.692 174.010 174.700 0.003 0.000 1.052 486 T CA -1.018 61.129 62.100 0.079 0.000 0.996 486 T CB 1.931 70.885 68.868 0.143 0.000 1.070 486 T HN -0.053 nan 8.240 nan 0.000 0.465 487 K N 1.636 122.050 120.400 0.023 0.000 2.182 487 K HA 0.677 4.997 4.320 -0.000 0.000 0.262 487 K C -0.936 175.655 176.600 -0.016 0.000 0.957 487 K CA -0.774 55.513 56.287 0.000 0.000 0.842 487 K CB 1.882 34.405 32.500 0.039 0.000 1.099 487 K HN 0.267 nan 8.250 nan 0.000 0.438 488 V N 3.711 123.599 119.914 -0.044 0.000 2.364 488 V HA 0.221 4.341 4.120 -0.000 0.000 0.272 488 V C -0.086 176.006 176.094 -0.003 0.000 1.036 488 V CA -0.611 61.675 62.300 -0.023 0.000 0.880 488 V CB 0.884 32.671 31.823 -0.059 0.000 0.991 488 V HN 0.635 nan 8.190 nan 0.000 0.460 489 K N 3.302 123.713 120.400 0.018 0.000 2.206 489 K HA 0.558 4.878 4.320 -0.000 0.000 0.264 489 K C -0.570 175.979 176.600 -0.085 0.000 0.967 489 K CA -0.342 55.929 56.287 -0.028 0.000 0.844 489 K CB 1.393 33.885 32.500 -0.013 0.000 1.099 489 K HN 0.675 nan 8.250 nan 0.000 0.441 490 T N 3.031 117.501 114.554 -0.140 0.000 2.771 490 T HA 0.315 4.665 4.350 -0.000 0.000 0.281 490 T C -0.900 173.593 174.700 -0.344 0.000 0.982 490 T CA -0.589 61.371 62.100 -0.233 0.000 0.978 490 T CB 1.265 70.028 68.868 -0.175 0.000 0.930 490 T HN 0.293 nan 8.240 nan 0.000 0.447 491 V N 4.158 123.689 119.914 -0.638 0.000 2.378 491 V HA 0.429 4.549 4.120 -0.000 0.000 0.288 491 V C 0.093 175.806 176.094 -0.634 0.000 1.016 491 V CA -0.724 61.162 62.300 -0.690 0.000 0.840 491 V CB 1.653 32.874 31.823 -1.005 0.000 0.994 491 V HN 0.959 nan 8.190 nan 0.000 0.431 492 T N 4.826 119.185 114.554 -0.325 0.000 2.772 492 T HA 0.570 4.920 4.350 -0.000 0.000 0.288 492 T C -0.270 174.413 174.700 -0.029 0.000 0.994 492 T CA -0.343 61.637 62.100 -0.199 0.000 0.951 492 T CB 1.376 70.109 68.868 -0.225 0.000 0.933 492 T HN 0.328 nan 8.240 nan 0.000 0.447 493 V N 3.755 123.742 119.914 0.121 0.000 2.513 493 V HA 0.456 4.576 4.120 -0.000 0.000 0.299 493 V C 0.353 176.683 176.094 0.392 0.000 1.035 493 V CA -1.171 61.280 62.300 0.252 0.000 0.889 493 V CB 1.845 33.857 31.823 0.315 0.000 0.988 493 V HN 0.746 nan 8.190 nan 0.000 0.440 494 K N 3.888 124.492 120.400 0.340 0.000 2.339 494 K HA 0.513 4.833 4.320 -0.000 0.000 0.286 494 K C -0.546 176.085 176.600 0.053 0.000 1.050 494 K CA -0.290 56.111 56.287 0.190 0.000 0.956 494 K CB 1.082 33.672 32.500 0.150 0.000 0.990 494 K HN 0.667 nan 8.250 nan 0.000 0.475 495 V N 2.105 121.980 119.914 -0.065 0.000 2.919 495 V HA 0.472 4.592 4.120 -0.000 0.000 0.316 495 V C -1.718 174.316 176.094 -0.100 0.000 1.077 495 V CA -1.852 60.425 62.300 -0.039 0.000 0.977 495 V CB 1.259 33.083 31.823 0.001 0.000 1.039 495 V HN 0.758 nan 8.190 nan 0.000 0.441 496 P HA -0.144 nan 4.420 nan 0.000 0.214 496 P C 0.175 177.427 177.300 -0.080 0.000 1.163 496 P CA 1.414 64.474 63.100 -0.067 0.000 0.889 496 P CB 0.295 31.967 31.700 -0.046 0.000 0.790 497 Q N -0.914 118.844 119.800 -0.071 0.000 2.371 497 Q HA 0.226 4.566 4.340 -0.000 0.000 0.244 497 Q C -0.887 175.081 176.000 -0.052 0.000 0.882 497 Q CA -0.636 55.127 55.803 -0.066 0.000 0.866 497 Q CB 1.613 30.322 28.738 -0.049 0.000 1.399 497 Q HN -0.133 nan 8.270 nan 0.000 0.432 498 K N 3.561 123.930 120.400 -0.051 0.000 2.350 498 K HA 0.267 4.587 4.320 -0.000 0.000 0.279 498 K C -0.963 175.630 176.600 -0.012 0.000 1.027 498 K CA 0.179 56.454 56.287 -0.020 0.000 0.969 498 K CB 0.610 33.111 32.500 0.002 0.000 0.954 498 K HN 0.630 nan 8.250 nan 0.000 0.474 499 N N 1.590 120.286 118.700 -0.008 0.000 2.242 499 N HA 0.082 4.822 4.740 -0.000 0.000 0.292 499 N C -0.798 174.713 175.510 0.001 0.000 1.125 499 N CA -0.549 52.497 53.050 -0.006 0.000 0.783 499 N CB 1.982 40.460 38.487 -0.016 0.000 1.558 499 N HN 0.751 nan 8.380 nan 0.000 0.472 500 S N 0.000 115.703 115.700 0.005 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.206 58.200 0.010 0.000 1.107 500 S CB 0.000 63.206 63.200 0.010 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517