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_G 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 0.000 177.575 177.584 -0.015 0.000 1.274 7 A CA 0.000 52.050 52.037 0.021 0.000 0.836 7 A CB 0.000 19.029 19.000 0.049 0.000 0.831 8 V N 2.682 122.546 119.914 -0.084 0.000 2.409 8 V HA 0.549 4.669 4.120 -0.000 0.000 0.291 8 V C -1.842 174.125 176.094 -0.212 0.000 1.020 8 V CA -1.402 60.725 62.300 -0.289 0.000 0.848 8 V CB 1.614 33.286 31.823 -0.252 0.000 0.990 8 V HN 0.658 nan 8.190 nan 0.000 0.430 9 P HA 0.256 nan 4.420 nan 0.000 0.269 9 P C -0.297 177.022 177.300 0.032 0.000 1.215 9 P CA -0.209 62.836 63.100 -0.092 0.000 0.780 9 P CB 0.792 32.450 31.700 -0.069 0.000 0.898 10 A N 4.250 127.080 122.820 0.016 0.000 2.524 10 A HA 0.323 4.643 4.320 -0.000 0.000 0.250 10 A C -1.577 175.959 177.584 -0.080 0.000 1.078 10 A CA -0.769 51.258 52.037 -0.016 0.000 0.761 10 A CB -1.114 17.865 19.000 -0.035 0.000 1.012 10 A HN 0.459 nan 8.150 nan 0.000 0.500 11 P HA 0.164 nan 4.420 nan 0.000 0.281 11 P C -0.854 176.210 177.300 -0.393 0.000 1.249 11 P CA -0.694 62.095 63.100 -0.518 0.000 0.810 11 P CB 0.828 31.752 31.700 -1.293 0.000 1.008 12 N N 1.646 120.159 118.700 -0.312 0.000 2.469 12 N HA 0.027 4.767 4.740 -0.000 0.000 0.239 12 N C 0.839 176.018 175.510 -0.550 0.000 1.053 12 N CA 0.032 52.907 53.050 -0.291 0.000 0.937 12 N CB 0.246 38.668 38.487 -0.107 0.000 1.163 12 N HN 0.227 nan 8.380 nan 0.000 0.509 13 Q N 1.245 120.553 119.800 -0.819 0.000 2.561 13 Q HA -0.051 4.289 4.340 -0.000 0.000 0.217 13 Q C -0.253 175.329 176.000 -0.698 0.000 0.980 13 Q CA 0.860 55.827 55.803 -1.393 0.000 0.927 13 Q CB 0.270 28.391 28.738 -1.028 0.000 0.980 13 Q HN 0.573 nan 8.270 nan 0.000 0.525 14 Q N 0.449 120.022 119.800 -0.379 0.000 3.180 14 Q HA 0.228 4.568 4.340 -0.000 0.000 0.317 14 Q C -2.505 173.424 176.000 -0.118 0.000 0.824 14 Q CA -1.352 54.337 55.803 -0.190 0.000 0.926 14 Q CB 1.390 30.036 28.738 -0.154 0.000 1.487 14 Q HN 0.205 nan 8.270 nan 0.000 0.389 15 P HA 0.004 nan 4.420 nan 0.000 0.268 15 P C -0.030 177.275 177.300 0.008 0.000 1.205 15 P CA 0.087 63.196 63.100 0.015 0.000 0.771 15 P CB 1.292 32.956 31.700 -0.060 0.000 0.858 16 E N 1.387 121.615 120.200 0.046 0.000 2.366 16 E HA 0.252 4.602 4.350 -0.000 0.000 0.266 16 E C -0.818 175.595 176.600 -0.311 0.000 1.051 16 E CA -0.731 55.533 56.400 -0.226 0.000 0.884 16 E CB 0.791 30.233 29.700 -0.430 0.000 1.006 16 E HN 0.151 nan 8.360 nan 0.000 0.417 17 V N 5.515 125.179 119.914 -0.417 0.000 2.370 17 V HA 0.152 4.272 4.120 -0.000 0.000 0.283 17 V C -0.107 175.708 176.094 -0.466 0.000 1.023 17 V CA -0.166 61.968 62.300 -0.277 0.000 0.857 17 V CB 0.940 32.667 31.823 -0.160 0.000 0.985 17 V HN 0.710 nan 8.190 nan 0.000 0.443 18 F N 1.678 121.633 119.950 0.009 0.000 2.653 18 F HA 0.248 4.775 4.527 -0.000 0.000 0.288 18 F C 0.983 176.656 175.800 -0.212 0.000 1.121 18 F CA -0.067 57.899 58.000 -0.055 0.000 1.384 18 F CB 0.310 39.328 39.000 0.031 0.000 1.115 18 F HN 0.368 nan 8.300 nan 0.000 0.599 19 C N 2.047 121.313 119.300 -0.057 0.000 2.340 19 C HA 0.446 4.906 4.460 -0.000 0.000 0.323 19 C C 0.402 175.213 174.990 -0.298 0.000 1.260 19 C CA -0.818 57.920 59.018 -0.467 0.000 1.464 19 C CB 0.430 27.823 27.740 -0.578 0.000 2.156 19 C HN 0.538 nan 8.230 nan 0.000 0.476 20 N N 1.050 119.557 118.700 -0.322 0.000 2.286 20 N HA 0.060 4.800 4.740 -0.000 0.000 0.245 20 N C -0.356 175.119 175.510 -0.059 0.000 1.363 20 N CA -0.273 52.684 53.050 -0.155 0.000 0.822 20 N CB 0.046 38.437 38.487 -0.161 0.000 1.345 20 N HN 0.784 nan 8.380 nan 0.000 0.494 21 Q N -0.074 119.741 119.800 0.025 0.000 2.990 21 Q HA 0.574 4.914 4.340 -0.000 0.000 0.255 21 Q C -0.461 175.831 176.000 0.486 0.000 1.040 21 Q CA -0.982 54.972 55.803 0.251 0.000 0.897 21 Q CB 1.778 30.698 28.738 0.304 0.000 1.429 21 Q HN 0.097 nan 8.270 nan 0.000 0.497 22 I N 1.133 121.973 120.570 0.449 0.000 2.396 22 I HA 0.185 4.355 4.170 -0.000 0.000 0.292 22 I C -0.863 175.487 176.117 0.388 0.000 0.999 22 I CA -0.241 61.290 61.300 0.384 0.000 1.310 22 I CB 0.563 38.721 38.000 0.263 0.000 1.404 22 I HN 0.377 nan 8.210 nan 0.000 0.496 23 F N 8.135 128.098 119.950 0.020 0.000 2.332 23 F HA 0.607 5.134 4.527 -0.000 0.000 0.368 23 F C -0.580 175.107 175.800 -0.189 0.000 1.110 23 F CA -0.403 57.375 58.000 -0.370 0.000 1.087 23 F CB 0.399 39.030 39.000 -0.615 0.000 1.235 23 F HN 0.169 nan 8.300 nan 0.000 0.470 24 I N 5.437 125.730 120.570 -0.462 0.000 2.619 24 I HA 0.219 4.389 4.170 -0.000 0.000 0.292 24 I C -0.298 175.548 176.117 -0.452 0.000 1.100 24 I CA -1.060 60.046 61.300 -0.323 0.000 1.043 24 I CB 1.859 39.810 38.000 -0.081 0.000 1.239 24 I HN 0.473 nan 8.210 nan 0.000 0.420 25 N N 4.628 123.080 118.700 -0.415 0.000 2.727 25 N HA -0.251 4.489 4.740 -0.000 0.000 0.249 25 N C 0.045 175.261 175.510 -0.490 0.000 1.048 25 N CA 1.322 54.170 53.050 -0.336 0.000 0.714 25 N CB -1.056 37.334 38.487 -0.162 0.000 0.959 25 N HN 0.931 nan 8.380 nan 0.000 0.544 26 N N -1.687 116.451 118.700 -0.936 0.000 2.741 26 N HA -0.243 4.497 4.740 -0.000 0.000 0.251 26 N C -0.823 174.212 175.510 -0.792 0.000 1.112 26 N CA 1.215 53.713 53.050 -0.920 0.000 0.750 26 N CB -0.396 37.927 38.487 -0.272 0.000 1.119 26 N HN 0.613 nan 8.380 nan 0.000 0.561 27 E N -0.904 118.730 120.200 -0.942 0.000 2.312 27 E HA 0.387 4.737 4.350 -0.000 0.000 0.267 27 E C -1.031 175.063 176.600 -0.844 0.000 0.894 27 E CA -0.699 55.289 56.400 -0.687 0.000 0.773 27 E CB 1.173 30.588 29.700 -0.475 0.000 1.241 27 E HN 0.132 nan 8.360 nan 0.000 0.432 28 W N 2.087 123.181 121.300 -0.342 0.000 2.361 28 W HA 0.303 4.963 4.660 -0.000 0.000 0.309 28 W C 0.179 176.467 176.519 -0.386 0.000 1.122 28 W CA -0.357 56.869 57.345 -0.199 0.000 1.208 28 W CB 0.832 30.283 29.460 -0.015 0.000 1.246 28 W HN 0.307 nan 8.180 nan 0.000 0.490 29 H N 1.590 120.822 119.070 0.269 0.000 2.821 29 H HA 0.272 4.828 4.556 -0.000 0.000 0.373 29 H C -0.580 174.848 175.328 0.166 0.000 1.165 29 H CA -0.829 55.314 56.048 0.159 0.000 1.154 29 H CB 1.853 31.662 29.762 0.077 0.000 1.765 29 H HN 0.291 nan 8.280 nan 0.000 0.549 30 D N 0.403 120.954 120.400 0.252 0.000 2.348 30 D HA 0.335 4.975 4.640 -0.000 0.000 0.249 30 D C 0.325 176.720 176.300 0.158 0.000 1.110 30 D CA -0.476 53.627 54.000 0.173 0.000 0.967 30 D CB 1.700 42.573 40.800 0.122 0.000 1.139 30 D HN 0.586 nan 8.370 nan 0.000 0.466 31 A N 0.763 123.663 122.820 0.133 0.000 2.466 31 A HA 0.088 4.408 4.320 -0.000 0.000 0.238 31 A C 1.536 179.172 177.584 0.087 0.000 1.074 31 A CA -0.403 51.702 52.037 0.114 0.000 0.774 31 A CB 0.330 19.402 19.000 0.119 0.000 1.015 31 A HN 0.423 nan 8.150 nan 0.000 0.498 32 V N 2.203 122.156 119.914 0.066 0.000 2.392 32 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 32 V C 2.702 178.828 176.094 0.053 0.000 1.059 32 V CA 2.770 65.099 62.300 0.048 0.000 1.051 32 V CB -0.940 30.903 31.823 0.034 0.000 0.658 32 V HN 1.125 nan 8.190 nan 0.000 0.455 33 S N -0.728 115.010 115.700 0.064 0.000 2.522 33 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 33 S C 1.244 175.884 174.600 0.068 0.000 0.986 33 S CA 0.486 58.724 58.200 0.064 0.000 0.929 33 S CB -0.213 63.031 63.200 0.074 0.000 0.769 33 S HN 0.615 nan 8.310 nan 0.000 0.529 34 R N -0.114 120.431 120.500 0.074 0.000 3.954 34 R HA -0.123 4.217 4.340 -0.000 0.000 0.422 34 R C -0.622 175.725 176.300 0.078 0.000 1.091 34 R CA 1.180 57.324 56.100 0.073 0.000 1.168 34 R CB -2.192 28.143 30.300 0.059 0.000 1.752 34 R HN 0.527 nan 8.270 nan 0.000 0.547 35 K N 1.417 121.875 120.400 0.095 0.000 2.168 35 K HA 0.288 4.608 4.320 -0.000 0.000 0.258 35 K C 0.713 177.391 176.600 0.131 0.000 1.010 35 K CA 0.666 57.022 56.287 0.115 0.000 0.929 35 K CB 0.793 33.377 32.500 0.139 0.000 0.998 35 K HN 0.215 nan 8.250 nan 0.000 0.479 36 T N -1.107 113.530 114.554 0.137 0.000 2.923 36 T HA 0.604 4.954 4.350 -0.000 0.000 0.311 36 T C -0.860 173.946 174.700 0.177 0.000 1.183 36 T CA -1.064 61.099 62.100 0.106 0.000 1.020 36 T CB 0.622 69.493 68.868 0.004 0.000 1.165 36 T HN 0.478 nan 8.240 nan 0.000 0.482 37 F N 0.128 120.088 119.950 0.015 0.000 2.546 37 F HA 0.901 5.428 4.527 -0.000 0.000 0.320 37 F C -2.989 172.820 175.800 0.015 0.000 1.076 37 F CA -2.969 55.056 58.000 0.041 0.000 0.928 37 F CB 1.582 40.566 39.000 -0.025 0.000 1.189 37 F HN 0.402 nan 8.300 nan 0.000 0.465 38 P HA 0.187 nan 4.420 nan 0.000 0.281 38 P C -1.004 176.308 177.300 0.021 0.000 1.249 38 P CA -0.220 62.862 63.100 -0.031 0.000 0.810 38 P CB 1.971 33.701 31.700 0.051 0.000 1.008 39 T N 1.230 115.746 114.554 -0.064 0.000 2.807 39 T HA 0.404 4.754 4.350 -0.000 0.000 0.279 39 T C -0.561 174.146 174.700 0.011 0.000 0.993 39 T CA -0.526 61.579 62.100 0.008 0.000 0.970 39 T CB 0.362 69.203 68.868 -0.044 0.000 0.950 39 T HN 0.071 nan 8.240 nan 0.000 0.441 40 V N 5.623 125.562 119.914 0.041 0.000 2.617 40 V HA 0.420 4.540 4.120 -0.000 0.000 0.298 40 V C 0.627 176.734 176.094 0.021 0.000 1.048 40 V CA -1.023 61.300 62.300 0.039 0.000 0.964 40 V CB 1.549 33.425 31.823 0.088 0.000 1.004 40 V HN 0.940 nan 8.190 nan 0.000 0.466 41 N N 5.406 124.109 118.700 0.004 0.000 2.469 41 N HA 0.228 4.968 4.740 -0.000 0.000 0.239 41 N C -1.447 174.043 175.510 -0.033 0.000 1.053 41 N CA -1.568 51.474 53.050 -0.014 0.000 0.937 41 N CB 1.352 39.833 38.487 -0.010 0.000 1.163 41 N HN 0.426 nan 8.380 nan 0.000 0.509 42 P HA -0.119 nan 4.420 nan 0.000 0.226 42 P C 0.525 177.672 177.300 -0.254 0.000 1.146 42 P CA 1.010 64.090 63.100 -0.033 0.000 0.773 42 P CB 0.356 32.052 31.700 -0.008 0.000 0.772 43 S N -0.641 114.968 115.700 -0.152 0.000 2.446 43 S HA -0.037 4.433 4.470 -0.000 0.000 0.225 43 S C 1.873 176.495 174.600 0.037 0.000 1.016 43 S CA 1.735 59.922 58.200 -0.022 0.000 0.943 43 S CB -0.560 62.687 63.200 0.078 0.000 0.786 43 S HN 0.458 nan 8.310 nan 0.000 0.508 44 T N -3.116 111.392 114.554 -0.075 0.000 2.958 44 T HA 0.453 4.803 4.350 -0.000 0.000 0.256 44 T C 1.460 176.057 174.700 -0.172 0.000 0.983 44 T CA 0.856 62.903 62.100 -0.089 0.000 0.924 44 T CB 0.402 69.243 68.868 -0.045 0.000 1.136 44 T HN 0.493 nan 8.240 nan 0.000 0.506 45 G N 1.535 110.194 108.800 -0.234 0.000 2.159 45 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.256 45 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.256 45 G C -0.251 174.609 174.900 -0.066 0.000 0.977 45 G CA 0.235 45.202 45.100 -0.222 0.000 0.652 45 G HN 0.688 nan 8.290 nan 0.000 0.531 46 E N -0.171 119.997 120.200 -0.054 0.000 2.277 46 E HA 0.488 4.838 4.350 -0.000 0.000 0.274 46 E C 0.312 176.904 176.600 -0.013 0.000 1.022 46 E CA -0.893 55.490 56.400 -0.028 0.000 0.853 46 E CB 2.199 31.878 29.700 -0.034 0.000 1.086 46 E HN 0.071 nan 8.360 nan 0.000 0.397 47 V N 3.981 123.890 119.914 -0.009 0.000 2.529 47 V HA -0.048 4.072 4.120 -0.000 0.000 0.292 47 V C 1.350 177.426 176.094 -0.030 0.000 1.028 47 V CA 0.567 62.860 62.300 -0.012 0.000 1.074 47 V CB 0.198 32.015 31.823 -0.010 0.000 0.958 47 V HN 0.677 nan 8.190 nan 0.000 0.481 48 I N 4.028 124.576 120.570 -0.037 0.000 2.277 48 I HA 0.023 4.193 4.170 -0.000 0.000 0.243 48 I C 1.023 177.096 176.117 -0.074 0.000 1.094 48 I CA 1.332 62.601 61.300 -0.052 0.000 1.393 48 I CB 0.124 38.094 38.000 -0.049 0.000 1.078 48 I HN 0.889 nan 8.210 nan 0.000 0.417 49 C N -2.032 117.214 119.300 -0.089 0.000 3.211 49 C HA 0.503 4.963 4.460 -0.000 0.000 0.350 49 C C -1.004 173.895 174.990 -0.151 0.000 1.413 49 C CA -1.140 57.811 59.018 -0.112 0.000 1.203 49 C CB 1.051 28.715 27.740 -0.125 0.000 1.506 49 C HN 0.202 nan 8.230 nan 0.000 0.448 50 Q N 0.385 120.089 119.800 -0.159 0.000 2.230 50 Q HA 0.821 5.161 4.340 -0.000 0.000 0.248 50 Q C -0.758 175.065 176.000 -0.295 0.000 0.915 50 Q CA -0.260 55.419 55.803 -0.207 0.000 0.900 50 Q CB 1.624 30.290 28.738 -0.122 0.000 1.229 50 Q HN 0.823 nan 8.270 nan 0.000 0.439 51 V N 1.872 121.482 119.914 -0.507 0.000 2.789 51 V HA 0.715 4.835 4.120 -0.000 0.000 0.311 51 V C -0.675 175.194 176.094 -0.374 0.000 1.073 51 V CA -1.230 60.755 62.300 -0.525 0.000 0.921 51 V CB 1.856 33.181 31.823 -0.829 0.000 1.009 51 V HN 0.946 nan 8.190 nan 0.000 0.426 52 A N 2.599 125.371 122.820 -0.081 0.000 2.567 52 A HA 0.197 4.517 4.320 -0.000 0.000 0.240 52 A C 0.386 178.114 177.584 0.240 0.000 1.053 52 A CA 0.308 52.395 52.037 0.084 0.000 0.755 52 A CB -0.063 19.017 19.000 0.132 0.000 0.978 52 A HN 0.898 nan 8.150 nan 0.000 0.507 53 E N 2.950 123.314 120.200 0.273 0.000 1.986 53 E HA 0.366 4.716 4.350 -0.000 0.000 0.264 53 E C 0.628 177.326 176.600 0.164 0.000 1.023 53 E CA -0.304 56.271 56.400 0.291 0.000 0.834 53 E CB 0.226 30.105 29.700 0.299 0.000 1.111 53 E HN 0.816 nan 8.360 nan 0.000 0.417 54 G N 3.327 112.208 108.800 0.136 0.000 2.491 54 G HA2 0.056 4.016 3.960 -0.000 0.000 0.242 54 G HA3 0.056 4.016 3.960 -0.000 0.000 0.242 54 G C -0.282 174.671 174.900 0.088 0.000 1.266 54 G CA -0.186 44.979 45.100 0.108 0.000 0.844 54 G HN 0.578 nan 8.290 nan 0.000 0.571 55 D N -0.557 119.895 120.400 0.086 0.000 2.867 55 D HA 0.195 4.835 4.640 -0.000 0.000 0.308 55 D C 1.281 177.624 176.300 0.072 0.000 1.202 55 D CA -0.807 53.242 54.000 0.082 0.000 1.035 55 D CB 1.548 42.398 40.800 0.084 0.000 1.427 55 D HN 0.272 nan 8.370 nan 0.000 0.570 56 K N 0.213 120.653 120.400 0.067 0.000 2.089 56 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 56 K C 1.454 178.094 176.600 0.066 0.000 1.048 56 K CA 1.763 58.090 56.287 0.066 0.000 0.926 56 K CB 0.059 32.588 32.500 0.048 0.000 0.714 56 K HN 0.314 nan 8.250 nan 0.000 0.448 57 E N -0.065 120.167 120.200 0.053 0.000 2.274 57 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 57 E C 1.474 178.096 176.600 0.038 0.000 0.996 57 E CA 0.899 57.325 56.400 0.044 0.000 0.840 57 E CB 0.138 29.857 29.700 0.033 0.000 0.772 57 E HN 0.394 nan 8.360 nan 0.000 0.491 58 D N 0.203 120.630 120.400 0.045 0.000 2.137 58 D HA -0.087 4.553 4.640 -0.000 0.000 0.202 58 D C 2.062 178.382 176.300 0.034 0.000 0.970 58 D CA 0.702 54.724 54.000 0.037 0.000 0.837 58 D CB 0.116 40.953 40.800 0.062 0.000 0.981 58 D HN 0.038 nan 8.370 nan 0.000 0.475 59 V N 1.751 121.697 119.914 0.054 0.000 2.407 59 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 59 V C 1.760 177.877 176.094 0.038 0.000 1.055 59 V CA 1.677 64.006 62.300 0.048 0.000 1.049 59 V CB -0.376 31.497 31.823 0.083 0.000 0.662 59 V HN -0.006 nan 8.190 nan 0.000 0.455 60 D N -0.187 120.269 120.400 0.093 0.000 2.144 60 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 60 D C 2.286 178.611 176.300 0.042 0.000 0.984 60 D CA 1.073 55.156 54.000 0.138 0.000 0.834 60 D CB -0.134 40.751 40.800 0.141 0.000 0.955 60 D HN 0.398 nan 8.370 nan 0.000 0.465 61 K N 0.301 120.703 120.400 0.003 0.000 2.057 61 K HA -0.013 4.307 4.320 -0.000 0.000 0.206 61 K C 2.122 178.686 176.600 -0.060 0.000 1.050 61 K CA 1.062 57.324 56.287 -0.041 0.000 0.935 61 K CB -0.089 32.364 32.500 -0.078 0.000 0.715 61 K HN 0.038 nan 8.250 nan 0.000 0.439 62 A N 1.182 123.968 122.820 -0.055 0.000 1.858 62 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 62 A C 2.403 179.932 177.584 -0.093 0.000 1.190 62 A CA 1.597 53.593 52.037 -0.068 0.000 0.617 62 A CB -0.836 18.138 19.000 -0.042 0.000 0.827 62 A HN 0.067 nan 8.150 nan 0.000 0.443 63 V N 0.288 120.119 119.914 -0.138 0.000 2.332 63 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 63 V C 2.474 178.498 176.094 -0.117 0.000 1.055 63 V CA 2.453 64.624 62.300 -0.214 0.000 1.038 63 V CB -0.756 30.737 31.823 -0.550 0.000 0.651 63 V HN 0.545 nan 8.190 nan 0.000 0.450 64 K N 0.064 120.424 120.400 -0.066 0.000 2.057 64 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 64 K C 2.321 178.909 176.600 -0.020 0.000 1.049 64 K CA 1.490 57.765 56.287 -0.019 0.000 0.931 64 K CB -0.413 32.086 32.500 -0.003 0.000 0.714 64 K HN 0.494 nan 8.250 nan 0.000 0.440 65 A N 1.531 124.325 122.820 -0.043 0.000 1.877 65 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 65 A C 2.382 179.948 177.584 -0.031 0.000 1.186 65 A CA 1.815 53.824 52.037 -0.047 0.000 0.620 65 A CB -0.686 18.264 19.000 -0.082 0.000 0.822 65 A HN 0.332 nan 8.150 nan 0.000 0.443 66 A N -0.046 122.747 122.820 -0.044 0.000 1.883 66 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 66 A C 2.191 179.803 177.584 0.047 0.000 1.186 66 A CA 2.285 54.306 52.037 -0.027 0.000 0.624 66 A CB -0.490 18.469 19.000 -0.067 0.000 0.822 66 A HN 0.470 nan 8.150 nan 0.000 0.444 67 R N 0.256 120.778 120.500 0.037 0.000 2.105 67 R HA -0.042 4.298 4.340 -0.000 0.000 0.239 67 R C 2.065 178.456 176.300 0.152 0.000 1.135 67 R CA 1.992 58.156 56.100 0.107 0.000 0.967 67 R CB -0.896 29.442 30.300 0.064 0.000 0.861 67 R HN 0.404 nan 8.270 nan 0.000 0.442 68 A N 0.171 123.046 122.820 0.092 0.000 1.898 68 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 68 A C 2.323 179.974 177.584 0.111 0.000 1.181 68 A CA 1.585 53.671 52.037 0.083 0.000 0.620 68 A CB -1.000 18.025 19.000 0.042 0.000 0.819 68 A HN 0.466 nan 8.150 nan 0.000 0.442 69 A N -2.216 120.674 122.820 0.118 0.000 2.121 69 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 69 A C 1.706 179.462 177.584 0.287 0.000 1.154 69 A CA 1.227 53.354 52.037 0.149 0.000 0.679 69 A CB -0.548 18.493 19.000 0.068 0.000 0.795 69 A HN 0.597 nan 8.150 nan 0.000 0.458 70 F N 0.132 120.160 119.950 0.130 0.000 2.727 70 F HA 0.209 4.736 4.527 -0.000 0.000 0.302 70 F C 0.695 176.570 175.800 0.125 0.000 1.097 70 F CA -0.258 57.846 58.000 0.174 0.000 1.330 70 F CB 0.187 39.273 39.000 0.144 0.000 1.084 70 F HN 0.087 nan 8.300 nan 0.000 0.578 71 Q N 1.674 121.525 119.800 0.085 0.000 2.361 71 Q HA 0.037 4.377 4.340 -0.000 0.000 0.276 71 Q C -0.204 175.745 176.000 -0.085 0.000 1.022 71 Q CA -0.169 55.635 55.803 0.002 0.000 0.898 71 Q CB 0.875 29.640 28.738 0.045 0.000 1.246 71 Q HN 0.248 nan 8.270 nan 0.000 0.410 72 L N 1.669 122.829 121.223 -0.105 0.000 2.601 72 L HA 0.078 4.418 4.340 -0.000 0.000 0.277 72 L C 1.243 178.082 176.870 -0.053 0.000 1.219 72 L CA 2.201 56.978 54.840 -0.104 0.000 0.915 72 L CB -0.009 42.008 42.059 -0.070 0.000 1.160 72 L HN 0.938 nan 8.230 nan 0.000 0.494 73 G N 1.858 110.627 108.800 -0.051 0.000 2.194 73 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.236 73 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.236 73 G C 0.344 175.245 174.900 0.001 0.000 0.987 73 G CA 0.307 45.394 45.100 -0.021 0.000 0.635 73 G HN 1.096 nan 8.290 nan 0.000 0.520 74 S N 0.524 116.230 115.700 0.010 0.000 2.600 74 S HA 0.562 5.032 4.470 -0.000 0.000 0.265 74 S C -0.617 174.035 174.600 0.087 0.000 1.325 74 S CA -0.208 58.027 58.200 0.058 0.000 1.002 74 S CB 1.812 65.067 63.200 0.092 0.000 0.921 74 S HN 0.003 nan 8.310 nan 0.000 0.554 75 P HA -0.097 nan 4.420 nan 0.000 0.215 75 P C 1.248 178.689 177.300 0.236 0.000 1.153 75 P CA 1.187 64.378 63.100 0.152 0.000 0.853 75 P CB -0.098 31.699 31.700 0.161 0.000 0.788 76 W N 0.076 121.410 121.300 0.057 0.000 2.388 76 W HA -0.126 4.534 4.660 0.000 0.000 0.294 76 W C 1.647 178.197 176.519 0.052 0.000 1.212 76 W CA 0.649 58.044 57.345 0.083 0.000 1.271 76 W CB -0.029 29.506 29.460 0.126 0.000 1.126 76 W HN -0.148 nan 8.180 nan 0.000 0.535 77 R N 0.207 120.720 120.500 0.021 0.000 2.119 77 R HA -0.008 4.332 4.340 -0.000 0.000 0.222 77 R C 2.068 178.285 176.300 -0.138 0.000 1.088 77 R CA 0.798 56.804 56.100 -0.157 0.000 0.984 77 R CB -0.595 29.595 30.300 -0.183 0.000 0.884 77 R HN 0.287 nan 8.270 nan 0.000 0.447 78 R N -0.139 120.322 120.500 -0.066 0.000 2.200 78 R HA 0.160 4.500 4.340 -0.000 0.000 0.208 78 R C 1.110 177.376 176.300 -0.057 0.000 1.033 78 R CA -0.169 55.899 56.100 -0.053 0.000 1.000 78 R CB -0.012 30.276 30.300 -0.021 0.000 0.906 78 R HN 0.094 nan 8.270 nan 0.000 0.462 79 M N 2.251 121.818 119.600 -0.054 0.000 2.240 79 M HA -0.084 4.396 4.480 -0.000 0.000 0.346 79 M C -0.718 175.541 176.300 -0.068 0.000 1.236 79 M CA 0.544 55.824 55.300 -0.033 0.000 0.986 79 M CB 0.480 33.082 32.600 0.003 0.000 1.786 79 M HN -0.060 nan 8.290 nan 0.000 0.457 80 D N 3.903 124.292 120.400 -0.019 0.000 2.443 80 D HA 0.105 4.745 4.640 -0.000 0.000 0.239 80 D C 0.787 177.078 176.300 -0.015 0.000 1.136 80 D CA 0.545 54.535 54.000 -0.016 0.000 0.879 80 D CB 1.098 41.898 40.800 -0.000 0.000 1.195 80 D HN 0.761 nan 8.370 nan 0.000 0.443 81 A N 2.077 124.878 122.820 -0.031 0.000 1.940 81 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 81 A C 2.081 179.668 177.584 0.004 0.000 1.176 81 A CA 2.046 54.063 52.037 -0.034 0.000 0.631 81 A CB -0.561 18.435 19.000 -0.007 0.000 0.814 81 A HN 0.582 nan 8.150 nan 0.000 0.446 82 S N -1.203 114.513 115.700 0.027 0.000 2.419 82 S HA -0.228 4.242 4.470 -0.000 0.000 0.233 82 S C 1.822 176.464 174.600 0.069 0.000 1.016 82 S CA 1.539 59.763 58.200 0.040 0.000 0.974 82 S CB -0.641 62.580 63.200 0.036 0.000 0.786 82 S HN 0.717 nan 8.310 nan 0.000 0.492 83 H N 1.745 120.794 119.070 -0.035 0.000 2.436 83 H HA 0.254 4.810 4.556 -0.000 0.000 0.294 83 H C 2.242 177.551 175.328 -0.031 0.000 1.048 83 H CA 1.310 57.338 56.048 -0.034 0.000 1.353 83 H CB -0.100 29.639 29.762 -0.039 0.000 1.414 83 H HN 0.363 nan 8.280 nan 0.000 0.536 84 R N -0.754 119.701 120.500 -0.075 0.000 2.096 84 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 84 R C 2.497 178.790 176.300 -0.011 0.000 1.127 84 R CA 1.051 57.119 56.100 -0.053 0.000 0.968 84 R CB -0.490 29.772 30.300 -0.064 0.000 0.861 84 R HN 0.399 nan 8.270 nan 0.000 0.440 85 G N 1.245 110.045 108.800 0.001 0.000 2.418 85 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 85 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 85 G C 1.439 176.328 174.900 -0.018 0.000 1.158 85 G CA 0.230 45.346 45.100 0.025 0.000 0.771 85 G HN 0.123 nan 8.290 nan 0.000 0.545 86 R N 0.211 120.663 120.500 -0.081 0.000 2.091 86 R HA 0.053 4.393 4.340 -0.000 0.000 0.238 86 R C 2.646 178.847 176.300 -0.166 0.000 1.136 86 R CA 0.642 56.681 56.100 -0.102 0.000 0.959 86 R CB -1.103 29.138 30.300 -0.099 0.000 0.856 86 R HN 0.406 nan 8.270 nan 0.000 0.437 87 L N 0.413 121.441 121.223 -0.325 0.000 2.046 87 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 87 L C 2.521 179.311 176.870 -0.134 0.000 1.077 87 L CA 1.045 55.617 54.840 -0.446 0.000 0.747 87 L CB -0.458 41.030 42.059 -0.951 0.000 0.896 87 L HN 0.117 nan 8.230 nan 0.000 0.432 88 L N -0.411 120.850 121.223 0.065 0.000 2.056 88 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 88 L C 2.377 179.338 176.870 0.151 0.000 1.078 88 L CA 0.983 55.967 54.840 0.240 0.000 0.749 88 L CB -0.489 41.718 42.059 0.247 0.000 0.901 88 L HN 0.336 nan 8.230 nan 0.000 0.433 89 N N -0.155 118.593 118.700 0.080 0.000 2.188 89 N HA -0.195 4.545 4.740 -0.000 0.000 0.184 89 N C 1.933 177.478 175.510 0.058 0.000 1.018 89 N CA 0.930 54.018 53.050 0.064 0.000 0.858 89 N CB -0.183 38.325 38.487 0.035 0.000 0.989 89 N HN 0.145 nan 8.380 nan 0.000 0.426 90 R N 1.155 121.677 120.500 0.036 0.000 2.075 90 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 90 R C 2.034 178.381 176.300 0.078 0.000 1.126 90 R CA 0.812 56.933 56.100 0.036 0.000 0.963 90 R CB -0.968 29.327 30.300 -0.009 0.000 0.858 90 R HN 0.198 nan 8.270 nan 0.000 0.435 91 L N 0.296 121.599 121.223 0.134 0.000 2.046 91 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 91 L C 2.082 179.022 176.870 0.116 0.000 1.077 91 L CA 2.260 57.199 54.840 0.164 0.000 0.747 91 L CB -1.015 41.207 42.059 0.271 0.000 0.896 91 L HN 0.254 nan 8.230 nan 0.000 0.432 92 A N -0.745 122.143 122.820 0.113 0.000 1.902 92 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 92 A C 2.013 179.644 177.584 0.078 0.000 1.181 92 A CA 1.879 53.974 52.037 0.095 0.000 0.623 92 A CB -0.878 18.181 19.000 0.097 0.000 0.818 92 A HN 0.542 nan 8.150 nan 0.000 0.443 93 D N 0.118 120.560 120.400 0.070 0.000 2.123 93 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 93 D C 1.977 178.316 176.300 0.066 0.000 0.992 93 D CA 1.084 55.120 54.000 0.060 0.000 0.833 93 D CB -0.358 40.473 40.800 0.051 0.000 0.954 93 D HN 0.456 nan 8.370 nan 0.000 0.455 94 L N 0.404 121.669 121.223 0.070 0.000 2.046 94 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 94 L C 2.556 179.485 176.870 0.098 0.000 1.077 94 L CA 0.728 55.612 54.840 0.073 0.000 0.747 94 L CB -0.321 41.774 42.059 0.060 0.000 0.896 94 L HN 0.029 nan 8.230 nan 0.000 0.432 95 I N -0.234 120.395 120.570 0.098 0.000 2.286 95 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 95 I C 2.581 178.758 176.117 0.101 0.000 1.115 95 I CA 1.295 62.664 61.300 0.115 0.000 1.392 95 I CB -0.197 37.859 38.000 0.094 0.000 1.065 95 I HN 0.344 nan 8.210 nan 0.000 0.418 96 E N 1.089 121.335 120.200 0.076 0.000 2.152 96 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 96 E C 2.372 179.022 176.600 0.084 0.000 0.983 96 E CA 0.633 57.068 56.400 0.059 0.000 0.818 96 E CB 0.049 29.777 29.700 0.046 0.000 0.758 96 E HN 0.286 nan 8.360 nan 0.000 0.467 97 R N 0.458 121.013 120.500 0.091 0.000 2.081 97 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 97 R C 0.372 176.746 176.300 0.124 0.000 1.131 97 R CA 1.803 57.959 56.100 0.095 0.000 0.960 97 R CB 0.064 30.411 30.300 0.078 0.000 0.856 97 R HN 0.091 nan 8.270 nan 0.000 0.436 98 D N -0.168 120.327 120.400 0.159 0.000 2.427 98 D HA 0.030 4.670 4.640 -0.000 0.000 0.224 98 D C 1.085 177.531 176.300 0.244 0.000 1.157 98 D CA -0.057 54.072 54.000 0.216 0.000 0.828 98 D CB 0.208 41.190 40.800 0.303 0.000 0.974 98 D HN 0.237 nan 8.370 nan 0.000 0.498 99 R N 0.493 121.106 120.500 0.187 0.000 2.094 99 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 99 R C 1.408 177.870 176.300 0.270 0.000 1.137 99 R CA 1.752 57.940 56.100 0.146 0.000 0.943 99 R CB -0.122 30.198 30.300 0.033 0.000 0.850 99 R HN 0.023 nan 8.270 nan 0.000 0.433 100 T N 0.103 114.889 114.554 0.386 0.000 2.684 100 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 100 T C 1.426 176.357 174.700 0.385 0.000 1.036 100 T CA 1.713 64.091 62.100 0.464 0.000 1.148 100 T CB -0.580 68.494 68.868 0.343 0.000 0.863 100 T HN 0.426 nan 8.240 nan 0.000 0.436 101 Y N 1.844 122.244 120.300 0.167 0.000 2.089 101 Y HA -0.051 4.499 4.550 -0.000 0.000 0.282 101 Y C 2.090 178.034 175.900 0.072 0.000 1.139 101 Y CA 1.061 59.208 58.100 0.077 0.000 1.123 101 Y CB -0.684 37.759 38.460 -0.030 0.000 0.980 101 Y HN 0.082 nan 8.280 nan 0.000 0.493 102 L N 0.065 121.279 121.223 -0.016 0.000 2.079 102 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 102 L C 2.772 179.620 176.870 -0.036 0.000 1.081 102 L CA 1.335 56.115 54.840 -0.100 0.000 0.752 102 L CB -0.944 41.175 42.059 0.100 0.000 0.896 102 L HN 0.421 nan 8.230 nan 0.000 0.433 103 A N -0.351 122.535 122.820 0.111 0.000 1.930 103 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 103 A C 2.491 180.245 177.584 0.283 0.000 1.175 103 A CA 1.626 53.769 52.037 0.176 0.000 0.627 103 A CB -0.600 18.546 19.000 0.243 0.000 0.815 103 A HN 0.412 nan 8.150 nan 0.000 0.443 104 A N -0.663 122.356 122.820 0.332 0.000 1.897 104 A HA 0.056 4.376 4.320 -0.000 0.000 0.215 104 A C 2.068 179.725 177.584 0.121 0.000 1.181 104 A CA 1.553 53.792 52.037 0.337 0.000 0.620 104 A CB -0.537 18.577 19.000 0.190 0.000 0.821 104 A HN 0.605 nan 8.150 nan 0.000 0.443 105 L N -0.063 121.072 121.223 -0.147 0.000 2.141 105 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 105 L C 2.152 178.965 176.870 -0.094 0.000 1.094 105 L CA 2.555 57.268 54.840 -0.213 0.000 0.763 105 L CB -0.577 41.186 42.059 -0.493 0.000 0.908 105 L HN 0.496 nan 8.230 nan 0.000 0.437 106 E N -1.062 119.098 120.200 -0.067 0.000 2.047 106 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 106 E C 2.042 178.597 176.600 -0.074 0.000 0.987 106 E CA 1.922 58.291 56.400 -0.051 0.000 0.799 106 E CB -0.329 29.351 29.700 -0.034 0.000 0.752 106 E HN 0.458 nan 8.360 nan 0.000 0.449 107 T N 0.886 115.387 114.554 -0.088 0.000 2.746 107 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 107 T C 1.685 176.265 174.700 -0.199 0.000 1.039 107 T CA 1.215 63.182 62.100 -0.222 0.000 1.142 107 T CB -0.379 68.204 68.868 -0.474 0.000 0.866 107 T HN 0.109 nan 8.240 nan 0.000 0.444 108 L N 1.355 122.541 121.223 -0.062 0.000 2.012 108 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 108 L C 2.034 178.891 176.870 -0.022 0.000 1.073 108 L CA 1.939 56.798 54.840 0.031 0.000 0.748 108 L CB -0.541 41.575 42.059 0.095 0.000 0.891 108 L HN 0.098 nan 8.230 nan 0.000 0.431 109 D N -1.670 118.709 120.400 -0.035 0.000 2.213 109 D HA -0.142 4.498 4.640 -0.000 0.000 0.205 109 D C 1.928 178.204 176.300 -0.041 0.000 0.961 109 D CA 0.820 54.802 54.000 -0.029 0.000 0.853 109 D CB 0.013 40.804 40.800 -0.016 0.000 0.967 109 D HN 0.444 nan 8.370 nan 0.000 0.496 110 N N -0.759 117.902 118.700 -0.065 0.000 2.439 110 N HA -0.023 4.717 4.740 -0.000 0.000 0.176 110 N C 1.351 176.782 175.510 -0.131 0.000 1.029 110 N CA 1.580 54.583 53.050 -0.078 0.000 0.886 110 N CB 0.814 39.249 38.487 -0.086 0.000 1.057 110 N HN 0.250 nan 8.380 nan 0.000 0.437 111 G N 1.464 110.167 108.800 -0.162 0.000 2.218 111 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 111 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 111 G C -0.068 174.699 174.900 -0.222 0.000 0.994 111 G CA 0.367 45.344 45.100 -0.204 0.000 0.637 111 G HN 0.681 nan 8.290 nan 0.000 0.505 112 K N 1.108 121.376 120.400 -0.221 0.000 2.355 112 K HA 0.470 4.790 4.320 -0.000 0.000 0.270 112 K C -2.637 173.854 176.600 -0.182 0.000 1.003 112 K CA -1.268 54.887 56.287 -0.220 0.000 0.957 112 K CB 0.566 32.905 32.500 -0.267 0.000 0.939 112 K HN 0.056 nan 8.250 nan 0.000 0.482 113 P HA -0.137 nan 4.420 nan 0.000 0.262 113 P C -0.314 176.962 177.300 -0.040 0.000 1.182 113 P CA 0.088 63.147 63.100 -0.070 0.000 0.761 113 P CB 0.104 31.801 31.700 -0.005 0.000 0.795 114 Y N 4.939 125.129 120.300 -0.184 0.000 2.207 114 Y HA -0.259 4.291 4.550 0.000 0.000 0.287 114 Y C 1.758 177.686 175.900 0.047 0.000 1.156 114 Y CA 1.743 59.786 58.100 -0.095 0.000 1.182 114 Y CB -0.819 37.611 38.460 -0.050 0.000 0.979 114 Y HN 0.090 nan 8.280 nan 0.000 0.521 115 V N 0.495 120.385 119.914 -0.039 0.000 2.287 115 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 115 V C 2.382 178.459 176.094 -0.028 0.000 1.053 115 V CA 1.911 64.158 62.300 -0.088 0.000 1.027 115 V CB -0.681 31.163 31.823 0.036 0.000 0.646 115 V HN 0.439 nan 8.190 nan 0.000 0.447 116 I N -0.189 120.397 120.570 0.026 0.000 2.315 116 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 116 I C 2.651 178.800 176.117 0.053 0.000 1.117 116 I CA 1.635 62.989 61.300 0.090 0.000 1.404 116 I CB -1.399 36.680 38.000 0.131 0.000 1.071 116 I HN 0.326 nan 8.210 nan 0.000 0.419 117 S N -0.171 115.519 115.700 -0.016 0.000 2.382 117 S HA -0.223 4.247 4.470 -0.000 0.000 0.228 117 S C 2.127 176.707 174.600 -0.033 0.000 1.027 117 S CA 1.226 59.412 58.200 -0.024 0.000 0.991 117 S CB -0.273 62.911 63.200 -0.026 0.000 0.823 117 S HN 0.484 nan 8.310 nan 0.000 0.469 118 Y N 1.144 121.299 120.300 -0.241 0.000 2.231 118 Y HA 0.209 4.759 4.550 -0.000 0.000 0.294 118 Y C 1.862 177.701 175.900 -0.101 0.000 1.120 118 Y CA 1.331 59.294 58.100 -0.229 0.000 1.141 118 Y CB -0.139 38.036 38.460 -0.475 0.000 1.022 118 Y HN 0.176 nan 8.280 nan 0.000 0.523 119 L N -1.278 119.996 121.223 0.084 0.000 2.209 119 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 119 L C 1.716 178.606 176.870 0.032 0.000 1.094 119 L CA 0.467 55.347 54.840 0.067 0.000 0.790 119 L CB -0.200 41.935 42.059 0.126 0.000 0.932 119 L HN 0.153 nan 8.230 nan 0.000 0.447 120 V N -1.015 118.939 119.914 0.066 0.000 2.695 120 V HA -0.061 4.059 4.120 -0.000 0.000 0.230 120 V C 1.678 177.817 176.094 0.076 0.000 1.110 120 V CA 0.935 63.300 62.300 0.108 0.000 1.159 120 V CB -0.349 31.616 31.823 0.237 0.000 0.875 120 V HN 0.173 nan 8.190 nan 0.000 0.502 121 D N 0.747 121.200 120.400 0.089 0.000 2.137 121 D HA -0.219 4.421 4.640 -0.000 0.000 0.189 121 D C 1.960 178.251 176.300 -0.014 0.000 0.998 121 D CA 1.732 55.761 54.000 0.049 0.000 0.839 121 D CB -0.359 40.473 40.800 0.053 0.000 0.962 121 D HN 0.184 nan 8.370 nan 0.000 0.446 122 L N 0.206 121.398 121.223 -0.052 0.000 2.131 122 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 122 L C 1.842 178.665 176.870 -0.078 0.000 1.092 122 L CA 1.369 56.160 54.840 -0.080 0.000 0.759 122 L CB -0.373 41.599 42.059 -0.146 0.000 0.903 122 L HN 0.039 nan 8.230 nan 0.000 0.435 123 D N -0.700 119.647 120.400 -0.088 0.000 2.117 123 D HA -0.220 4.420 4.640 -0.000 0.000 0.197 123 D C 2.221 178.526 176.300 0.009 0.000 0.987 123 D CA 1.439 55.408 54.000 -0.051 0.000 0.829 123 D CB 0.046 40.822 40.800 -0.039 0.000 0.961 123 D HN 0.212 nan 8.370 nan 0.000 0.460 124 M N -0.437 119.178 119.600 0.025 0.000 2.296 124 M HA -0.081 4.399 4.480 -0.000 0.000 0.265 124 M C 2.101 178.452 176.300 0.085 0.000 1.064 124 M CA 0.495 55.836 55.300 0.067 0.000 1.109 124 M CB 0.102 32.738 32.600 0.060 0.000 1.396 124 M HN 0.012 nan 8.290 nan 0.000 0.430 125 V N 0.954 120.888 119.914 0.034 0.000 2.307 125 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 125 V C 2.318 178.468 176.094 0.094 0.000 1.045 125 V CA 1.529 63.858 62.300 0.048 0.000 1.024 125 V CB -0.557 31.272 31.823 0.010 0.000 0.651 125 V HN 0.438 nan 8.190 nan 0.000 0.449 126 L N -0.441 120.821 121.223 0.065 0.000 2.017 126 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 126 L C 2.587 179.521 176.870 0.107 0.000 1.073 126 L CA 1.808 56.694 54.840 0.075 0.000 0.745 126 L CB -0.664 41.418 42.059 0.038 0.000 0.894 126 L HN 0.287 nan 8.230 nan 0.000 0.432 127 K N -0.853 119.610 120.400 0.105 0.000 2.148 127 K HA -0.187 4.133 4.320 -0.000 0.000 0.204 127 K C 2.288 179.003 176.600 0.191 0.000 1.050 127 K CA 1.468 57.829 56.287 0.125 0.000 0.942 127 K CB -0.422 32.134 32.500 0.094 0.000 0.724 127 K HN 0.408 nan 8.250 nan 0.000 0.446 128 C N 1.202 120.643 119.300 0.235 0.000 2.453 128 C HA -0.029 4.431 4.460 -0.000 0.000 0.277 128 C C 2.434 177.677 174.990 0.422 0.000 1.262 128 C CA 0.482 59.714 59.018 0.357 0.000 1.718 128 C CB -0.895 27.120 27.740 0.458 0.000 2.031 128 C HN 0.391 nan 8.230 nan 0.000 0.480 129 L N 0.354 121.763 121.223 0.310 0.000 2.046 129 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 129 L C 3.032 180.052 176.870 0.251 0.000 1.077 129 L CA 1.772 56.780 54.840 0.280 0.000 0.747 129 L CB -0.693 41.482 42.059 0.193 0.000 0.896 129 L HN 0.337 nan 8.230 nan 0.000 0.432 130 R N -1.418 119.199 120.500 0.196 0.000 2.115 130 R HA -0.189 4.151 4.340 -0.000 0.000 0.230 130 R C 2.243 178.619 176.300 0.126 0.000 1.111 130 R CA 1.309 57.493 56.100 0.140 0.000 0.976 130 R CB -0.355 30.009 30.300 0.106 0.000 0.870 130 R HN 0.283 nan 8.270 nan 0.000 0.445 131 Y N 0.025 120.347 120.300 0.036 0.000 2.133 131 Y HA -0.246 4.304 4.550 -0.000 0.000 0.287 131 Y C 1.556 177.411 175.900 -0.074 0.000 1.134 131 Y CA 1.466 59.522 58.100 -0.075 0.000 1.133 131 Y CB -0.386 37.990 38.460 -0.138 0.000 0.987 131 Y HN -0.009 nan 8.280 nan 0.000 0.502 132 Y N -0.228 120.177 120.300 0.176 0.000 2.421 132 Y HA -0.085 4.465 4.550 -0.000 0.000 0.292 132 Y C 2.556 178.506 175.900 0.083 0.000 1.136 132 Y CA 0.690 58.875 58.100 0.142 0.000 1.255 132 Y CB -0.557 38.029 38.460 0.210 0.000 0.991 132 Y HN 0.276 nan 8.280 nan 0.000 0.552 133 A N 0.186 123.111 122.820 0.175 0.000 1.908 133 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 133 A C 2.529 180.126 177.584 0.023 0.000 1.181 133 A CA 1.821 53.925 52.037 0.112 0.000 0.627 133 A CB -1.412 17.638 19.000 0.083 0.000 0.818 133 A HN 0.461 nan 8.150 nan 0.000 0.445 134 G N -2.567 106.172 108.800 -0.101 0.000 2.471 134 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 134 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 134 G C 1.313 176.047 174.900 -0.277 0.000 1.125 134 G CA 0.662 45.623 45.100 -0.232 0.000 0.775 134 G HN 0.683 nan 8.290 nan 0.000 0.548 135 W N 0.464 121.650 121.300 -0.190 0.000 2.658 135 W HA 0.319 4.979 4.660 -0.000 0.000 0.263 135 W C 2.718 179.207 176.519 -0.050 0.000 1.274 135 W CA 0.154 57.410 57.345 -0.149 0.000 1.343 135 W CB 0.328 29.698 29.460 -0.151 0.000 1.106 135 W HN 0.238 nan 8.180 nan 0.000 0.615 136 A N 1.159 124.110 122.820 0.218 0.000 1.940 136 A HA -0.299 4.021 4.320 -0.000 0.000 0.221 136 A C 1.303 178.956 177.584 0.114 0.000 1.190 136 A CA 2.483 54.610 52.037 0.151 0.000 0.647 136 A CB -0.833 18.225 19.000 0.096 0.000 0.821 136 A HN 0.373 nan 8.150 nan 0.000 0.457 137 D N -2.494 117.953 120.400 0.079 0.000 2.670 137 D HA 0.229 4.869 4.640 -0.000 0.000 0.255 137 D C 0.430 176.734 176.300 0.007 0.000 1.286 137 D CA -0.097 53.930 54.000 0.044 0.000 0.830 137 D CB 0.014 40.831 40.800 0.027 0.000 1.065 137 D HN 0.480 nan 8.370 nan 0.000 0.486 138 K N -0.574 119.849 120.400 0.037 0.000 2.477 138 K HA 0.049 4.369 4.320 -0.000 0.000 0.208 138 K C -0.475 176.047 176.600 -0.129 0.000 1.117 138 K CA -0.497 55.719 56.287 -0.119 0.000 1.039 138 K CB 0.905 33.362 32.500 -0.072 0.000 0.937 138 K HN -0.033 nan 8.250 nan 0.000 0.570 139 Y N 3.016 123.262 120.300 -0.090 0.000 2.691 139 Y HA 0.157 4.707 4.550 -0.000 0.000 0.338 139 Y C -0.359 175.425 175.900 -0.194 0.000 1.148 139 Y CA -1.376 56.678 58.100 -0.077 0.000 1.430 139 Y CB -0.913 37.547 38.460 0.000 0.000 1.303 139 Y HN 0.083 nan 8.280 nan 0.000 0.499 140 H N 1.139 120.169 119.070 -0.066 0.000 2.679 140 H HA 0.482 5.038 4.556 -0.000 0.000 0.369 140 H C 0.850 175.792 175.328 -0.643 0.000 1.178 140 H CA 0.255 56.155 56.048 -0.246 0.000 1.419 140 H CB 0.764 30.462 29.762 -0.107 0.000 1.458 140 H HN 0.699 nan 8.280 nan 0.000 0.605 141 G N -0.062 108.498 108.800 -0.400 0.000 2.568 141 G HA2 0.517 4.477 3.960 -0.000 0.000 0.293 141 G HA3 0.517 4.477 3.960 -0.000 0.000 0.293 141 G C -0.870 173.918 174.900 -0.187 0.000 1.347 141 G CA -0.948 43.833 45.100 -0.532 0.000 1.039 141 G HN 0.530 nan 8.290 nan 0.000 0.523 142 K N -0.666 119.691 120.400 -0.071 0.000 2.395 142 K HA 0.553 4.873 4.320 -0.000 0.000 0.247 142 K C -0.948 175.693 176.600 0.068 0.000 0.973 142 K CA -0.724 55.563 56.287 -0.000 0.000 0.828 142 K CB 2.144 34.651 32.500 0.011 0.000 1.272 142 K HN 0.593 nan 8.250 nan 0.000 0.439 143 T N -0.790 113.819 114.554 0.091 0.000 2.756 143 T HA 0.547 4.897 4.350 -0.000 0.000 0.290 143 T C -0.023 174.755 174.700 0.131 0.000 0.985 143 T CA -0.738 61.467 62.100 0.175 0.000 0.955 143 T CB -0.143 68.890 68.868 0.275 0.000 0.930 143 T HN 0.375 nan 8.240 nan 0.000 0.451 144 I N 5.440 126.075 120.570 0.108 0.000 2.359 144 I HA 0.340 4.510 4.170 -0.000 0.000 0.294 144 I C -1.774 174.405 176.117 0.103 0.000 0.987 144 I CA -2.783 58.564 61.300 0.078 0.000 1.225 144 I CB 1.993 40.013 38.000 0.033 0.000 1.366 144 I HN 0.466 nan 8.210 nan 0.000 0.466 145 P HA 0.152 nan 4.420 nan 0.000 0.230 145 P C -0.023 177.327 177.300 0.083 0.000 1.791 145 P CA 0.107 63.263 63.100 0.094 0.000 1.020 145 P CB 0.169 31.911 31.700 0.069 0.000 1.977 146 I N 1.206 121.834 120.570 0.097 0.000 2.938 146 I HA 0.052 4.222 4.170 -0.000 0.000 0.285 146 I C 0.298 176.489 176.117 0.124 0.000 1.182 146 I CA -0.108 61.243 61.300 0.085 0.000 1.388 146 I CB 0.685 38.723 38.000 0.064 0.000 1.390 146 I HN 0.038 nan 8.210 nan 0.000 0.600 147 D N 4.265 124.730 120.400 0.108 0.000 2.368 147 D HA 0.443 5.083 4.640 -0.000 0.000 0.240 147 D C 0.343 176.789 176.300 0.243 0.000 1.169 147 D CA 1.152 55.229 54.000 0.128 0.000 0.906 147 D CB 0.782 41.636 40.800 0.089 0.000 1.187 147 D HN 0.936 nan 8.370 nan 0.000 0.435 148 G N 1.300 110.212 108.800 0.187 0.000 2.828 148 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.463 148 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.463 148 G C -0.752 174.157 174.900 0.014 0.000 1.394 148 G CA -0.709 44.493 45.100 0.170 0.000 0.862 148 G HN 0.528 nan 8.290 nan 0.000 0.540 149 D N 0.947 121.152 120.400 -0.325 0.000 2.608 149 D HA 0.462 5.102 4.640 -0.000 0.000 0.224 149 D C -0.055 175.792 176.300 -0.754 0.000 1.123 149 D CA 1.008 54.760 54.000 -0.412 0.000 1.030 149 D CB -0.448 40.144 40.800 -0.347 0.000 1.093 149 D HN 0.264 nan 8.370 nan 0.000 0.497 150 F N 0.404 120.400 119.950 0.077 0.000 2.613 150 F HA 0.411 4.937 4.527 -0.000 0.000 0.314 150 F C -0.431 175.486 175.800 0.195 0.000 1.075 150 F CA -1.451 56.612 58.000 0.104 0.000 0.945 150 F CB 1.698 40.730 39.000 0.054 0.000 1.310 150 F HN -0.132 nan 8.300 nan 0.000 0.467 151 F N 1.979 122.071 119.950 0.237 0.000 2.445 151 F HA 0.672 5.199 4.527 -0.000 0.000 0.348 151 F C -0.702 175.221 175.800 0.205 0.000 1.125 151 F CA -1.123 56.988 58.000 0.186 0.000 0.983 151 F CB 1.159 40.258 39.000 0.164 0.000 1.198 151 F HN 0.265 nan 8.300 nan 0.000 0.436 152 S N 6.548 122.205 115.700 -0.072 0.000 2.482 152 S HA 0.827 5.297 4.470 -0.000 0.000 0.303 152 S C -1.411 173.028 174.600 -0.269 0.000 1.091 152 S CA -0.270 57.767 58.200 -0.271 0.000 1.057 152 S CB 0.763 63.896 63.200 -0.111 0.000 1.031 152 S HN 0.695 nan 8.310 nan 0.000 0.485 153 Y N -0.042 120.003 120.300 -0.425 0.000 2.670 153 Y HA 0.782 5.332 4.550 -0.000 0.000 0.334 153 Y C -0.607 175.192 175.900 -0.169 0.000 1.185 153 Y CA -1.069 56.861 58.100 -0.283 0.000 1.053 153 Y CB 0.868 39.113 38.460 -0.358 0.000 1.298 153 Y HN 0.553 nan 8.280 nan 0.000 0.459 154 T N -0.396 114.232 114.554 0.123 0.000 2.893 154 T HA 0.765 5.115 4.350 -0.000 0.000 0.291 154 T C -0.959 173.828 174.700 0.144 0.000 1.028 154 T CA -1.070 61.070 62.100 0.067 0.000 0.995 154 T CB 2.022 70.931 68.868 0.069 0.000 1.051 154 T HN 0.832 nan 8.240 nan 0.000 0.470 155 R N 0.788 121.374 120.500 0.144 0.000 2.562 155 R HA 0.393 4.733 4.340 -0.000 0.000 0.298 155 R C -0.591 175.848 176.300 0.231 0.000 0.961 155 R CA -0.778 55.407 56.100 0.142 0.000 0.881 155 R CB 1.455 31.839 30.300 0.140 0.000 1.159 155 R HN 0.734 nan 8.270 nan 0.000 0.450 156 H N 2.065 121.134 119.070 -0.001 0.000 2.641 156 H HA 0.161 4.717 4.556 -0.000 0.000 0.295 156 H C -0.401 174.967 175.328 0.067 0.000 1.070 156 H CA -0.451 55.599 56.048 0.002 0.000 1.257 156 H CB 1.187 30.892 29.762 -0.095 0.000 1.393 156 H HN 0.365 nan 8.280 nan 0.000 0.464 157 E N 4.262 124.571 120.200 0.181 0.000 2.250 157 E HA 0.240 4.590 4.350 -0.000 0.000 0.269 157 E C -2.469 174.249 176.600 0.197 0.000 1.018 157 E CA -2.251 54.248 56.400 0.165 0.000 0.873 157 E CB 1.250 31.032 29.700 0.137 0.000 1.134 157 E HN 0.379 nan 8.360 nan 0.000 0.403 158 P HA -0.045 nan 4.420 nan 0.000 0.272 158 P C 0.592 178.041 177.300 0.249 0.000 1.223 158 P CA -0.047 63.231 63.100 0.296 0.000 0.784 158 P CB 0.733 32.714 31.700 0.469 0.000 0.923 159 V N 1.644 121.643 119.914 0.143 0.000 2.515 159 V HA 0.022 4.142 4.120 -0.000 0.000 0.250 159 V C 1.229 177.275 176.094 -0.079 0.000 1.058 159 V CA 2.793 65.121 62.300 0.046 0.000 1.064 159 V CB -1.089 30.741 31.823 0.012 0.000 0.675 159 V HN 1.014 nan 8.190 nan 0.000 0.461 160 G N -1.174 107.432 108.800 -0.324 0.000 2.390 160 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.202 160 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.202 160 G C -0.480 174.004 174.900 -0.693 0.000 1.210 160 G CA -0.218 44.266 45.100 -1.026 0.000 1.271 160 G HN 0.350 nan 8.290 nan 0.000 0.543 161 V N 1.237 120.881 119.914 -0.451 0.000 2.405 161 V HA 0.405 4.525 4.120 -0.000 0.000 0.264 161 V C 0.409 176.431 176.094 -0.120 0.000 1.048 161 V CA -0.138 62.020 62.300 -0.237 0.000 0.966 161 V CB 0.258 31.977 31.823 -0.173 0.000 1.015 161 V HN 0.813 nan 8.190 nan 0.000 0.477 162 C N 4.890 124.157 119.300 -0.055 0.000 2.281 162 C HA 0.687 5.147 4.460 -0.000 0.000 0.325 162 C C 1.047 176.053 174.990 0.027 0.000 1.282 162 C CA -0.963 58.072 59.018 0.028 0.000 1.640 162 C CB 0.280 28.121 27.740 0.168 0.000 2.288 162 C HN 0.992 nan 8.230 nan 0.000 0.507 163 G N 2.903 111.720 108.800 0.028 0.000 2.325 163 G HA2 0.514 4.474 3.960 -0.000 0.000 0.298 163 G HA3 0.514 4.474 3.960 -0.000 0.000 0.298 163 G C -0.772 174.173 174.900 0.075 0.000 1.134 163 G CA -0.139 44.983 45.100 0.037 0.000 0.876 163 G HN 0.811 nan 8.290 nan 0.000 0.452 164 Q N 1.771 121.615 119.800 0.074 0.000 2.320 164 Q HA 0.377 4.717 4.340 -0.000 0.000 0.268 164 Q C -0.726 175.323 176.000 0.083 0.000 1.023 164 Q CA -0.370 55.486 55.803 0.088 0.000 0.744 164 Q CB 2.460 31.244 28.738 0.077 0.000 1.246 164 Q HN 0.536 nan 8.270 nan 0.000 0.462 165 I N 4.954 125.588 120.570 0.106 0.000 2.328 165 I HA 0.415 4.584 4.170 -0.000 0.000 0.287 165 I C -0.001 176.104 176.117 -0.019 0.000 1.012 165 I CA -0.728 60.637 61.300 0.107 0.000 1.195 165 I CB 0.667 38.829 38.000 0.270 0.000 1.350 165 I HN 0.506 nan 8.210 nan 0.000 0.464 166 I N 5.496 126.051 120.570 -0.025 0.000 2.648 166 I HA 0.729 4.899 4.170 -0.000 0.000 0.304 166 I C -2.550 173.510 176.117 -0.096 0.000 1.009 166 I CA -2.237 59.011 61.300 -0.087 0.000 1.114 166 I CB 1.930 39.909 38.000 -0.035 0.000 1.293 166 I HN 0.236 nan 8.210 nan 0.000 0.449 167 P HA 0.126 nan 4.420 nan 0.000 0.302 167 P C -0.169 177.042 177.300 -0.149 0.000 1.307 167 P CA -0.134 62.815 63.100 -0.252 0.000 0.754 167 P CB 0.605 32.056 31.700 -0.415 0.000 1.298 168 W N 0.089 121.409 121.300 0.033 0.000 3.177 168 W HA 0.061 4.721 4.660 0.000 0.000 0.309 168 W C 0.961 177.446 176.519 -0.057 0.000 1.224 168 W CA 0.143 57.489 57.345 0.002 0.000 1.718 168 W CB -1.553 27.913 29.460 0.009 0.000 1.078 168 W HN 0.201 nan 8.180 nan 0.000 0.618 169 N N 2.200 120.713 118.700 -0.313 0.000 2.166 169 N HA -0.196 4.544 4.740 -0.000 0.000 0.186 169 N C -0.115 175.030 175.510 -0.610 0.000 1.019 169 N CA 1.008 53.848 53.050 -0.351 0.000 0.856 169 N CB -1.132 37.083 38.487 -0.453 0.000 0.993 169 N HN 0.109 nan 8.380 nan 0.000 0.426 170 F N -0.481 119.356 119.950 -0.188 0.000 2.794 170 F HA 0.413 4.940 4.527 0.000 0.000 0.353 170 F C -1.843 173.838 175.800 -0.199 0.000 1.371 170 F CA -2.072 55.793 58.000 -0.224 0.000 1.173 170 F CB 2.092 40.878 39.000 -0.356 0.000 1.693 170 F HN -0.182 nan 8.300 nan 0.000 0.606 171 P HA -0.234 nan 4.420 nan 0.000 0.216 171 P C 1.904 179.191 177.300 -0.022 0.000 1.167 171 P CA 1.784 64.886 63.100 0.004 0.000 0.914 171 P CB 0.427 32.140 31.700 0.021 0.000 0.793 172 L N -2.138 119.068 121.223 -0.028 0.000 2.027 172 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 172 L C 2.459 179.261 176.870 -0.114 0.000 1.074 172 L CA 0.923 55.739 54.840 -0.040 0.000 0.745 172 L CB -0.972 41.076 42.059 -0.018 0.000 0.898 172 L HN -0.026 nan 8.230 nan 0.000 0.433 173 L N -0.743 120.362 121.223 -0.197 0.000 2.046 173 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 173 L C 2.513 179.007 176.870 -0.627 0.000 1.077 173 L CA 1.797 56.351 54.840 -0.477 0.000 0.747 173 L CB -0.439 41.226 42.059 -0.656 0.000 0.896 173 L HN 0.181 nan 8.230 nan 0.000 0.432 174 M N -1.037 118.314 119.600 -0.415 0.000 2.108 174 M HA -0.258 4.222 4.480 -0.000 0.000 0.261 174 M C 2.275 178.529 176.300 -0.077 0.000 1.066 174 M CA 1.632 56.788 55.300 -0.239 0.000 1.107 174 M CB -1.183 31.346 32.600 -0.120 0.000 1.356 174 M HN 0.485 nan 8.290 nan 0.000 0.406 175 Q N -0.350 119.406 119.800 -0.073 0.000 2.050 175 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 175 Q C 2.017 178.014 176.000 -0.005 0.000 0.980 175 Q CA 2.070 57.856 55.803 -0.028 0.000 0.840 175 Q CB -0.025 28.696 28.738 -0.028 0.000 0.898 175 Q HN 0.500 nan 8.270 nan 0.000 0.424 176 A N 0.019 122.833 122.820 -0.010 0.000 1.902 176 A HA -0.183 4.136 4.320 -0.000 0.000 0.217 176 A C 1.560 179.272 177.584 0.213 0.000 1.181 176 A CA 1.267 53.349 52.037 0.076 0.000 0.623 176 A CB -1.120 17.929 19.000 0.082 0.000 0.818 176 A HN 0.625 nan 8.150 nan 0.000 0.443 177 W N 0.295 121.597 121.300 0.003 0.000 2.421 177 W HA -0.045 4.615 4.660 0.000 0.000 0.270 177 W C 1.901 178.386 176.519 -0.056 0.000 1.233 177 W CA 1.290 58.640 57.345 0.009 0.000 1.226 177 W CB -0.266 29.202 29.460 0.013 0.000 1.121 177 W HN 0.244 nan 8.180 nan 0.000 0.579 178 K N -0.447 120.044 120.400 0.153 0.000 2.168 178 K HA 0.125 4.445 4.320 -0.000 0.000 0.201 178 K C 2.092 178.609 176.600 -0.138 0.000 1.049 178 K CA 0.580 56.886 56.287 0.032 0.000 0.974 178 K CB -0.931 31.607 32.500 0.064 0.000 0.792 178 K HN 0.189 nan 8.250 nan 0.000 0.463 179 L N 0.348 121.512 121.223 -0.099 0.000 2.109 179 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 179 L C 2.362 179.130 176.870 -0.171 0.000 1.086 179 L CA 1.255 56.007 54.840 -0.147 0.000 0.760 179 L CB -0.990 40.999 42.059 -0.118 0.000 0.910 179 L HN 0.240 nan 8.230 nan 0.000 0.437 180 G N 1.499 110.212 108.800 -0.145 0.000 2.587 180 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 180 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 180 G C -0.489 174.092 174.900 -0.531 0.000 1.240 180 G CA 1.079 46.068 45.100 -0.185 0.000 0.794 180 G HN 0.300 nan 8.290 nan 0.000 0.580 181 P HA -0.047 nan 4.420 nan 0.000 0.216 181 P C 2.084 178.992 177.300 -0.653 0.000 1.153 181 P CA 2.129 64.711 63.100 -0.863 0.000 0.848 181 P CB -0.213 31.037 31.700 -0.750 0.000 0.787 182 A N 0.500 122.760 122.820 -0.933 0.000 1.883 182 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 182 A C 2.494 179.973 177.584 -0.175 0.000 1.186 182 A CA 1.667 53.218 52.037 -0.810 0.000 0.624 182 A CB -1.622 16.966 19.000 -0.686 0.000 0.822 182 A HN 0.128 nan 8.150 nan 0.000 0.444 183 L N -1.050 120.141 121.223 -0.054 0.000 2.109 183 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 183 L C 3.064 180.121 176.870 0.312 0.000 1.086 183 L CA 0.879 55.883 54.840 0.273 0.000 0.760 183 L CB -0.606 41.615 42.059 0.269 0.000 0.910 183 L HN 0.430 nan 8.230 nan 0.000 0.437 184 A N 0.323 123.237 122.820 0.158 0.000 1.972 184 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 184 A C 2.282 179.941 177.584 0.126 0.000 1.169 184 A CA 2.173 54.312 52.037 0.171 0.000 0.635 184 A CB -0.858 18.274 19.000 0.218 0.000 0.810 184 A HN 0.521 nan 8.150 nan 0.000 0.446 185 T N -4.435 110.177 114.554 0.097 0.000 3.129 185 T HA 0.403 4.753 4.350 -0.000 0.000 0.251 185 T C 1.267 176.049 174.700 0.138 0.000 1.117 185 T CA 1.013 63.186 62.100 0.122 0.000 1.034 185 T CB 0.010 68.956 68.868 0.130 0.000 0.968 185 T HN 1.709 nan 8.240 nan 0.000 0.526 186 G N 1.442 110.329 108.800 0.144 0.000 2.132 186 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.234 186 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.234 186 G C -0.089 175.109 174.900 0.496 0.000 0.989 186 G CA -0.238 44.917 45.100 0.091 0.000 0.676 186 G HN 0.601 nan 8.290 nan 0.000 0.522 187 N N -0.592 118.407 118.700 0.497 0.000 2.413 187 N HA 0.614 5.354 4.740 -0.000 0.000 0.266 187 N C 0.483 176.250 175.510 0.428 0.000 1.238 187 N CA 0.368 53.654 53.050 0.393 0.000 0.972 187 N CB 1.923 40.528 38.487 0.198 0.000 1.210 187 N HN 0.649 nan 8.380 nan 0.000 0.547 188 V N -1.981 118.017 119.914 0.140 0.000 2.769 188 V HA 0.723 4.843 4.120 -0.000 0.000 0.312 188 V C -0.105 175.961 176.094 -0.048 0.000 1.058 188 V CA -0.720 61.587 62.300 0.013 0.000 0.952 188 V CB 1.649 33.482 31.823 0.016 0.000 1.019 188 V HN 0.252 nan 8.190 nan 0.000 0.445 189 V N 2.714 122.577 119.914 -0.084 0.000 2.735 189 V HA 0.587 4.707 4.120 -0.000 0.000 0.310 189 V C -0.534 175.526 176.094 -0.057 0.000 1.061 189 V CA -0.515 61.747 62.300 -0.063 0.000 0.913 189 V CB 2.186 33.963 31.823 -0.077 0.000 1.005 189 V HN 0.792 nan 8.190 nan 0.000 0.428 190 V N 5.300 125.193 119.914 -0.035 0.000 2.357 190 V HA 0.434 4.554 4.120 -0.000 0.000 0.281 190 V C -0.182 175.916 176.094 0.006 0.000 1.015 190 V CA -0.209 62.077 62.300 -0.024 0.000 0.827 190 V CB 1.325 33.118 31.823 -0.049 0.000 1.018 190 V HN 0.890 nan 8.190 nan 0.000 0.432 191 M N 4.784 124.395 119.600 0.018 0.000 2.209 191 M HA 0.533 5.013 4.480 -0.000 0.000 0.355 191 M C -0.432 175.900 176.300 0.054 0.000 1.171 191 M CA -0.462 54.858 55.300 0.033 0.000 1.069 191 M CB 1.080 33.690 32.600 0.017 0.000 1.622 191 M HN 0.339 nan 8.290 nan 0.000 0.459 192 K N 5.426 125.864 120.400 0.063 0.000 2.389 192 K HA 0.374 4.694 4.320 -0.000 0.000 0.261 192 K C -1.246 175.398 176.600 0.072 0.000 1.014 192 K CA -0.374 55.957 56.287 0.074 0.000 0.920 192 K CB 0.746 33.296 32.500 0.084 0.000 1.149 192 K HN 0.671 nan 8.250 nan 0.000 0.444 193 V N 0.925 120.886 119.914 0.078 0.000 2.904 193 V HA 0.599 4.719 4.120 -0.000 0.000 0.305 193 V C 0.552 176.702 176.094 0.093 0.000 1.067 193 V CA -1.189 61.161 62.300 0.082 0.000 1.044 193 V CB 1.004 32.883 31.823 0.094 0.000 1.050 193 V HN 0.701 nan 8.190 nan 0.000 0.475 194 A N 2.769 125.659 122.820 0.116 0.000 2.511 194 A HA 0.290 4.610 4.320 -0.000 0.000 0.242 194 A C 1.363 179.033 177.584 0.144 0.000 1.069 194 A CA 0.204 52.340 52.037 0.166 0.000 0.763 194 A CB 0.067 19.237 19.000 0.283 0.000 1.001 194 A HN 1.108 nan 8.150 nan 0.000 0.498 195 E N 2.484 122.720 120.200 0.060 0.000 2.209 195 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 195 E C 1.105 177.810 176.600 0.175 0.000 0.993 195 E CA 1.770 58.141 56.400 -0.048 0.000 0.819 195 E CB -0.355 29.094 29.700 -0.418 0.000 0.745 195 E HN 0.846 nan 8.360 nan 0.000 0.477 196 Q N 0.600 120.479 119.800 0.131 0.000 2.311 196 Q HA 0.015 4.355 4.340 -0.000 0.000 0.203 196 Q C 0.526 176.584 176.000 0.097 0.000 0.954 196 Q CA 1.604 57.447 55.803 0.067 0.000 0.885 196 Q CB 0.446 29.106 28.738 -0.130 0.000 0.963 196 Q HN 0.460 nan 8.270 nan 0.000 0.471 197 T N -3.582 111.063 114.554 0.151 0.000 3.631 197 T HA 0.272 4.622 4.350 -0.000 0.000 0.256 197 T C -2.526 172.245 174.700 0.119 0.000 1.187 197 T CA -1.218 60.953 62.100 0.119 0.000 1.667 197 T CB 1.114 70.063 68.868 0.136 0.000 0.804 197 T HN -0.055 nan 8.240 nan 0.000 0.639 198 P HA 0.268 nan 4.420 nan 0.000 0.252 198 P C 1.578 178.935 177.300 0.094 0.000 1.218 198 P CA -0.250 62.927 63.100 0.128 0.000 0.807 198 P CB 0.427 32.242 31.700 0.192 0.000 1.072 199 L N 0.711 121.971 121.223 0.061 0.000 1.955 199 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 199 L C 2.807 179.735 176.870 0.098 0.000 1.072 199 L CA 2.878 57.750 54.840 0.053 0.000 0.755 199 L CB -2.176 39.888 42.059 0.009 0.000 0.888 199 L HN 0.101 nan 8.230 nan 0.000 0.432 200 T N -1.986 112.613 114.554 0.074 0.000 2.759 200 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 200 T C 1.920 176.706 174.700 0.143 0.000 1.042 200 T CA 1.100 63.264 62.100 0.108 0.000 1.140 200 T CB -0.491 68.407 68.868 0.050 0.000 0.864 200 T HN 0.353 nan 8.240 nan 0.000 0.455 201 A N 1.710 124.588 122.820 0.098 0.000 1.902 201 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 201 A C 2.463 180.095 177.584 0.079 0.000 1.181 201 A CA 1.375 53.454 52.037 0.070 0.000 0.623 201 A CB -0.873 18.162 19.000 0.058 0.000 0.818 201 A HN 0.553 nan 8.150 nan 0.000 0.443 202 L N -2.355 118.952 121.223 0.140 0.000 2.093 202 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 202 L C 2.578 179.586 176.870 0.230 0.000 1.085 202 L CA 1.599 56.572 54.840 0.222 0.000 0.755 202 L CB -0.624 41.566 42.059 0.217 0.000 0.904 202 L HN 0.562 nan 8.230 nan 0.000 0.435 203 Y N 0.257 120.622 120.300 0.108 0.000 2.224 203 Y HA -0.208 4.342 4.550 -0.000 0.000 0.289 203 Y C 2.390 178.341 175.900 0.085 0.000 1.146 203 Y CA 1.366 59.545 58.100 0.132 0.000 1.182 203 Y CB -0.203 38.387 38.460 0.217 0.000 0.983 203 Y HN -0.167 nan 8.280 nan 0.000 0.524 204 V N 0.295 120.236 119.914 0.045 0.000 2.490 204 V HA -0.331 3.789 4.120 -0.000 0.000 0.250 204 V C 2.625 178.579 176.094 -0.234 0.000 1.061 204 V CA 1.631 63.888 62.300 -0.071 0.000 1.064 204 V CB -1.479 30.340 31.823 -0.007 0.000 0.670 204 V HN 0.569 nan 8.190 nan 0.000 0.461 205 A N 0.256 122.884 122.820 -0.321 0.000 1.940 205 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 205 A C 2.058 179.171 177.584 -0.785 0.000 1.176 205 A CA 2.309 53.865 52.037 -0.803 0.000 0.631 205 A CB -0.781 17.430 19.000 -1.314 0.000 0.814 205 A HN 0.596 nan 8.150 nan 0.000 0.446 206 N N -0.037 118.461 118.700 -0.336 0.000 2.120 206 N HA -0.062 4.678 4.740 -0.000 0.000 0.188 206 N C 1.535 176.940 175.510 -0.176 0.000 1.024 206 N CA 1.410 54.394 53.050 -0.110 0.000 0.852 206 N CB -0.336 38.086 38.487 -0.108 0.000 1.003 206 N HN 0.494 nan 8.380 nan 0.000 0.424 207 L N -0.053 121.011 121.223 -0.265 0.000 2.141 207 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 207 L C 2.053 178.902 176.870 -0.036 0.000 1.094 207 L CA 0.691 55.445 54.840 -0.143 0.000 0.763 207 L CB -0.374 41.614 42.059 -0.117 0.000 0.908 207 L HN 0.231 nan 8.230 nan 0.000 0.437 208 I N 0.163 120.679 120.570 -0.091 0.000 2.286 208 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 208 I C 2.740 178.947 176.117 0.150 0.000 1.115 208 I CA 1.381 62.671 61.300 -0.016 0.000 1.392 208 I CB -0.236 37.601 38.000 -0.271 0.000 1.065 208 I HN 0.284 nan 8.210 nan 0.000 0.418 209 K N 1.079 121.540 120.400 0.101 0.000 2.057 209 K HA -0.230 4.090 4.320 -0.000 0.000 0.206 209 K C 2.080 178.748 176.600 0.113 0.000 1.050 209 K CA 1.472 57.856 56.287 0.162 0.000 0.935 209 K CB -0.047 32.572 32.500 0.198 0.000 0.715 209 K HN 0.240 nan 8.250 nan 0.000 0.439 210 E N -0.138 120.105 120.200 0.072 0.000 2.150 210 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 210 E C 1.612 178.251 176.600 0.064 0.000 0.985 210 E CA 0.845 57.276 56.400 0.051 0.000 0.814 210 E CB -0.043 29.665 29.700 0.013 0.000 0.752 210 E HN 0.440 nan 8.360 nan 0.000 0.466 211 A N 0.033 122.916 122.820 0.104 0.000 2.067 211 A HA 0.053 4.373 4.320 -0.000 0.000 0.219 211 A C 1.831 179.433 177.584 0.030 0.000 1.158 211 A CA 1.378 53.472 52.037 0.095 0.000 0.661 211 A CB -0.394 18.729 19.000 0.204 0.000 0.801 211 A HN 0.491 nan 8.150 nan 0.000 0.452 212 G N -2.848 105.997 108.800 0.077 0.000 2.154 212 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.186 212 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.186 212 G C -0.037 174.879 174.900 0.026 0.000 1.000 212 G CA -0.195 44.925 45.100 0.033 0.000 0.664 212 G HN 0.271 nan 8.290 nan 0.000 0.513 213 F N 1.630 121.580 119.950 -0.000 0.000 2.529 213 F HA 0.421 4.948 4.527 -0.000 0.000 0.365 213 F C -1.119 174.645 175.800 -0.059 0.000 1.102 213 F CA -1.425 56.542 58.000 -0.055 0.000 1.271 213 F CB 0.544 39.453 39.000 -0.151 0.000 1.120 213 F HN -0.093 nan 8.300 nan 0.000 0.579 214 P HA 0.051 nan 4.420 nan 0.000 0.268 214 P C -2.550 174.743 177.300 -0.012 0.000 1.208 214 P CA -0.815 62.326 63.100 0.068 0.000 0.777 214 P CB 0.049 31.825 31.700 0.125 0.000 0.875 215 P HA 0.078 nan 4.420 nan 0.000 0.268 215 P C 0.951 178.188 177.300 -0.105 0.000 1.204 215 P CA 1.134 64.178 63.100 -0.094 0.000 0.768 215 P CB 0.165 31.817 31.700 -0.081 0.000 0.842 216 G N 1.255 109.959 108.800 -0.160 0.000 2.217 216 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.246 216 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.246 216 G C 0.984 175.790 174.900 -0.156 0.000 0.990 216 G CA 0.260 45.279 45.100 -0.135 0.000 0.627 216 G HN 0.396 nan 8.290 nan 0.000 0.522 217 V N -0.116 119.653 119.914 -0.241 0.000 2.427 217 V HA 0.119 4.239 4.120 -0.000 0.000 0.248 217 V C 1.397 177.297 176.094 -0.324 0.000 1.051 217 V CA 1.930 63.972 62.300 -0.430 0.000 1.048 217 V CB 0.139 31.469 31.823 -0.822 0.000 0.666 217 V HN 0.399 nan 8.190 nan 0.000 0.456 218 V N 1.409 121.183 119.914 -0.232 0.000 2.531 218 V HA 0.501 4.621 4.120 -0.000 0.000 0.301 218 V C -0.917 175.185 176.094 0.015 0.000 1.034 218 V CA -0.766 61.445 62.300 -0.148 0.000 0.865 218 V CB 1.899 33.583 31.823 -0.231 0.000 0.995 218 V HN 0.419 nan 8.190 nan 0.000 0.424 219 N N 5.125 123.835 118.700 0.016 0.000 2.352 219 N HA 0.605 5.345 4.740 -0.000 0.000 0.291 219 N C -1.256 174.312 175.510 0.097 0.000 1.040 219 N CA -0.364 52.728 53.050 0.070 0.000 0.864 219 N CB 2.946 41.414 38.487 -0.032 0.000 1.440 219 N HN 0.510 nan 8.380 nan 0.000 0.483 220 I N 1.613 122.293 120.570 0.182 0.000 2.378 220 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 220 I C -0.292 175.920 176.117 0.159 0.000 0.992 220 I CA -0.961 60.420 61.300 0.134 0.000 1.154 220 I CB 2.006 40.073 38.000 0.111 0.000 1.315 220 I HN 0.042 nan 8.210 nan 0.000 0.448 221 V N 8.423 128.410 119.914 0.122 0.000 2.284 221 V HA 0.295 4.415 4.120 -0.000 0.000 0.274 221 V C -2.077 174.093 176.094 0.127 0.000 1.023 221 V CA -1.537 60.839 62.300 0.127 0.000 0.808 221 V CB 1.208 33.085 31.823 0.090 0.000 1.035 221 V HN 0.567 nan 8.190 nan 0.000 0.445 222 P HA 0.594 nan 4.420 nan 0.000 0.277 222 P C 0.152 177.523 177.300 0.118 0.000 1.240 222 P CA 0.383 63.590 63.100 0.179 0.000 0.798 222 P CB 2.085 33.945 31.700 0.266 0.000 0.979 223 G N 0.524 109.264 108.800 -0.099 0.000 2.343 223 G HA2 0.271 4.231 3.960 -0.000 0.000 0.289 223 G HA3 0.271 4.231 3.960 -0.000 0.000 0.289 223 G C -1.529 173.017 174.900 -0.590 0.000 1.295 223 G CA -0.878 43.968 45.100 -0.424 0.000 0.869 223 G HN 0.265 nan 8.290 nan 0.000 0.522 224 F N 0.488 120.294 119.950 -0.240 0.000 2.378 224 F HA 0.501 5.028 4.527 -0.000 0.000 0.319 224 F C 1.903 177.670 175.800 -0.055 0.000 1.155 224 F CA 0.628 58.524 58.000 -0.173 0.000 1.157 224 F CB 1.347 40.253 39.000 -0.157 0.000 1.252 224 F HN 0.635 nan 8.300 nan 0.000 0.550 225 G N 0.412 109.339 108.800 0.213 0.000 2.424 225 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.214 225 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.214 225 G C -1.024 173.940 174.900 0.106 0.000 1.202 225 G CA 0.428 45.616 45.100 0.147 0.000 0.793 225 G HN 0.463 nan 8.290 nan 0.000 0.534 226 P HA -0.033 nan 4.420 nan 0.000 0.223 226 P C 1.857 179.188 177.300 0.052 0.000 1.144 226 P CA 1.974 65.100 63.100 0.042 0.000 0.783 226 P CB 0.020 31.726 31.700 0.010 0.000 0.771 227 T N -3.696 110.911 114.554 0.088 0.000 3.246 227 T HA 0.241 4.591 4.350 -0.000 0.000 0.231 227 T C 1.956 176.705 174.700 0.081 0.000 0.986 227 T CA 0.651 62.803 62.100 0.087 0.000 1.340 227 T CB -1.138 67.805 68.868 0.125 0.000 1.063 227 T HN -0.093 nan 8.240 nan 0.000 0.427 228 A N 1.610 124.482 122.820 0.088 0.000 1.898 228 A HA 0.305 4.625 4.320 -0.000 0.000 0.216 228 A C 2.630 180.262 177.584 0.079 0.000 1.181 228 A CA 1.774 53.857 52.037 0.076 0.000 0.620 228 A CB -1.687 17.350 19.000 0.062 0.000 0.819 228 A HN 0.691 nan 8.150 nan 0.000 0.442 229 G N -0.364 108.488 108.800 0.087 0.000 2.433 229 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.216 229 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.216 229 G C 1.755 176.699 174.900 0.074 0.000 1.186 229 G CA 1.468 46.626 45.100 0.097 0.000 0.779 229 G HN 0.807 nan 8.290 nan 0.000 0.543 230 A N 0.988 123.842 122.820 0.055 0.000 1.972 230 A HA 0.320 4.640 4.320 -0.000 0.000 0.219 230 A C 2.754 180.364 177.584 0.043 0.000 1.169 230 A CA 2.065 54.121 52.037 0.032 0.000 0.635 230 A CB -0.611 18.400 19.000 0.018 0.000 0.810 230 A HN 0.780 nan 8.150 nan 0.000 0.446 231 A N -0.180 122.677 122.820 0.062 0.000 1.969 231 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 231 A C 2.076 179.734 177.584 0.124 0.000 1.169 231 A CA 1.393 53.479 52.037 0.081 0.000 0.635 231 A CB -0.480 18.575 19.000 0.091 0.000 0.810 231 A HN 0.506 nan 8.150 nan 0.000 0.445 232 I N -0.517 120.115 120.570 0.102 0.000 2.193 232 I HA -0.202 3.968 4.170 -0.000 0.000 0.240 232 I C 2.962 179.136 176.117 0.094 0.000 1.084 232 I CA 0.972 62.331 61.300 0.097 0.000 1.365 232 I CB -0.366 37.676 38.000 0.070 0.000 1.064 232 I HN 0.327 nan 8.210 nan 0.000 0.410 233 A N -0.257 122.602 122.820 0.065 0.000 1.978 233 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 233 A C 2.318 179.923 177.584 0.034 0.000 1.170 233 A CA 2.140 54.199 52.037 0.037 0.000 0.636 233 A CB -0.490 18.511 19.000 0.002 0.000 0.810 233 A HN 0.402 nan 8.150 nan 0.000 0.448 234 S N -1.312 114.413 115.700 0.042 0.000 2.556 234 S HA 0.086 4.556 4.470 -0.000 0.000 0.216 234 S C 0.583 175.198 174.600 0.025 0.000 0.970 234 S CA -0.559 57.653 58.200 0.019 0.000 0.912 234 S CB -0.228 62.970 63.200 -0.004 0.000 0.790 234 S HN 0.678 nan 8.310 nan 0.000 0.504 235 H N 2.766 121.835 119.070 -0.002 0.000 2.964 235 H HA 0.048 4.604 4.556 -0.000 0.000 0.328 235 H C 0.902 176.228 175.328 -0.003 0.000 1.030 235 H CA 0.657 56.705 56.048 -0.000 0.000 1.445 235 H CB 0.630 30.393 29.762 0.002 0.000 1.449 235 H HN 0.161 nan 8.280 nan 0.000 0.581 236 E N 2.994 123.147 120.200 -0.079 0.000 2.347 236 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 236 E C 0.633 177.325 176.600 0.153 0.000 1.008 236 E CA 0.724 57.138 56.400 0.024 0.000 0.852 236 E CB 0.271 29.937 29.700 -0.058 0.000 0.783 236 E HN 0.581 nan 8.360 nan 0.000 0.505 237 D N -0.329 120.319 120.400 0.415 0.000 2.440 237 D HA 0.047 4.687 4.640 -0.000 0.000 0.216 237 D C -0.639 175.709 176.300 0.079 0.000 1.150 237 D CA -0.038 54.096 54.000 0.223 0.000 0.832 237 D CB 0.654 41.583 40.800 0.215 0.000 0.992 237 D HN -0.204 nan 8.370 nan 0.000 0.502 238 V N 1.830 121.798 119.914 0.090 0.000 2.383 238 V HA 0.135 4.255 4.120 -0.000 0.000 0.275 238 V C 0.915 177.008 176.094 -0.001 0.000 1.036 238 V CA -0.411 61.883 62.300 -0.010 0.000 0.889 238 V CB 1.716 33.540 31.823 0.000 0.000 0.985 238 V HN 0.049 nan 8.190 nan 0.000 0.459 239 D N 3.273 123.650 120.400 -0.039 0.000 2.277 239 D HA 0.027 4.667 4.640 -0.000 0.000 0.208 239 D C 0.738 177.014 176.300 -0.039 0.000 0.962 239 D CA 0.913 54.890 54.000 -0.038 0.000 0.865 239 D CB 0.712 41.471 40.800 -0.067 0.000 0.939 239 D HN 0.474 nan 8.370 nan 0.000 0.510 240 K N 0.268 120.645 120.400 -0.039 0.000 2.562 240 K HA 0.371 4.691 4.320 -0.000 0.000 0.267 240 K C -2.149 174.440 176.600 -0.017 0.000 0.938 240 K CA -0.595 55.664 56.287 -0.046 0.000 0.840 240 K CB 3.081 35.528 32.500 -0.089 0.000 1.390 240 K HN -0.180 nan 8.250 nan 0.000 0.428 241 V N 2.191 122.098 119.914 -0.011 0.000 2.577 241 V HA 0.779 4.899 4.120 -0.000 0.000 0.303 241 V C -1.465 174.655 176.094 0.045 0.000 1.042 241 V CA -0.326 61.994 62.300 0.033 0.000 0.872 241 V CB 1.466 33.314 31.823 0.042 0.000 0.998 241 V HN 0.868 nan 8.190 nan 0.000 0.423 242 A N 6.834 129.705 122.820 0.084 0.000 2.287 242 A HA 0.834 5.154 4.320 -0.000 0.000 0.317 242 A C -1.210 176.480 177.584 0.176 0.000 1.220 242 A CA -0.442 51.656 52.037 0.101 0.000 0.835 242 A CB 0.796 19.861 19.000 0.107 0.000 1.180 242 A HN 1.167 nan 8.150 nan 0.000 0.500 243 F N 2.167 122.134 119.950 0.028 0.000 2.532 243 F HA 0.727 5.254 4.527 -0.000 0.000 0.321 243 F C -0.311 175.514 175.800 0.042 0.000 1.089 243 F CA -0.067 57.953 58.000 0.034 0.000 0.926 243 F CB 2.313 41.326 39.000 0.021 0.000 1.168 243 F HN 0.388 nan 8.300 nan 0.000 0.459 244 T N 4.509 118.455 114.554 -1.014 0.000 2.890 244 T HA 0.742 5.092 4.350 -0.000 0.000 0.295 244 T C -0.178 173.869 174.700 -1.088 0.000 0.993 244 T CA -0.227 61.447 62.100 -0.710 0.000 0.979 244 T CB 1.072 69.784 68.868 -0.261 0.000 0.967 244 T HN 1.124 nan 8.240 nan 0.000 0.441 245 G N 2.072 110.452 108.800 -0.700 0.000 2.498 245 G HA2 0.445 4.405 3.960 -0.000 0.000 0.181 245 G HA3 0.445 4.405 3.960 -0.000 0.000 0.181 245 G C -0.670 174.258 174.900 0.047 0.000 1.169 245 G CA -0.244 44.658 45.100 -0.331 0.000 0.992 245 G HN 0.905 nan 8.290 nan 0.000 0.490 246 S N -0.188 115.628 115.700 0.193 0.000 2.580 246 S HA 0.459 4.929 4.470 -0.000 0.000 0.274 246 S C 1.230 175.959 174.600 0.215 0.000 1.329 246 S CA 0.922 59.204 58.200 0.136 0.000 1.036 246 S CB 1.425 64.679 63.200 0.090 0.000 0.919 246 S HN 0.736 nan 8.310 nan 0.000 0.515 247 T N 1.712 116.368 114.554 0.169 0.000 2.833 247 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 247 T C 1.803 176.540 174.700 0.061 0.000 1.054 247 T CA 1.812 63.997 62.100 0.143 0.000 1.135 247 T CB -0.510 68.455 68.868 0.161 0.000 0.869 247 T HN 0.946 nan 8.240 nan 0.000 0.466 248 E N 0.932 121.164 120.200 0.054 0.000 2.077 248 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 248 E C 1.886 178.462 176.600 -0.040 0.000 0.989 248 E CA 1.036 57.442 56.400 0.009 0.000 0.800 248 E CB -0.272 29.441 29.700 0.021 0.000 0.746 248 E HN 0.321 nan 8.360 nan 0.000 0.452 249 I N 1.737 122.279 120.570 -0.046 0.000 2.617 249 I HA -0.007 4.163 4.170 -0.000 0.000 0.256 249 I C 2.551 178.390 176.117 -0.464 0.000 1.167 249 I CA 1.218 62.403 61.300 -0.191 0.000 1.469 249 I CB -1.444 36.499 38.000 -0.096 0.000 1.098 249 I HN 0.327 nan 8.210 nan 0.000 0.436 250 G N 1.257 109.841 108.800 -0.360 0.000 2.448 250 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 250 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 250 G C 1.865 176.635 174.900 -0.217 0.000 1.127 250 G CA 0.322 45.211 45.100 -0.352 0.000 0.766 250 G HN 0.354 nan 8.290 nan 0.000 0.552 251 R N -0.235 120.179 120.500 -0.144 0.000 2.093 251 R HA 0.078 4.418 4.340 -0.000 0.000 0.224 251 R C 2.571 178.800 176.300 -0.118 0.000 1.101 251 R CA 0.818 56.857 56.100 -0.102 0.000 0.979 251 R CB -0.484 29.775 30.300 -0.068 0.000 0.877 251 R HN 0.269 nan 8.270 nan 0.000 0.441 252 V N 1.752 121.578 119.914 -0.147 0.000 2.295 252 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 252 V C 2.351 178.357 176.094 -0.146 0.000 1.049 252 V CA 1.518 63.739 62.300 -0.131 0.000 1.024 252 V CB -0.443 31.300 31.823 -0.134 0.000 0.648 252 V HN 0.231 nan 8.190 nan 0.000 0.447 253 I N 0.063 120.495 120.570 -0.229 0.000 2.127 253 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 253 I C 2.598 178.645 176.117 -0.117 0.000 1.075 253 I CA 2.195 63.372 61.300 -0.205 0.000 1.334 253 I CB -1.207 36.589 38.000 -0.340 0.000 1.040 253 I HN 0.440 nan 8.210 nan 0.000 0.405 254 Q N 0.682 120.415 119.800 -0.111 0.000 2.084 254 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 254 Q C 2.257 178.222 176.000 -0.058 0.000 0.978 254 Q CA 1.832 57.593 55.803 -0.069 0.000 0.844 254 Q CB 0.015 28.717 28.738 -0.061 0.000 0.898 254 Q HN 0.323 nan 8.270 nan 0.000 0.426 255 V N 0.619 120.495 119.914 -0.063 0.000 2.358 255 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 255 V C 2.302 178.369 176.094 -0.045 0.000 1.047 255 V CA 1.640 63.910 62.300 -0.051 0.000 1.035 255 V CB -1.075 30.717 31.823 -0.051 0.000 0.658 255 V HN 0.552 nan 8.190 nan 0.000 0.452 256 A N -0.022 122.768 122.820 -0.050 0.000 1.978 256 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 256 A C 2.380 179.947 177.584 -0.028 0.000 1.170 256 A CA 2.142 54.156 52.037 -0.039 0.000 0.636 256 A CB -0.631 18.344 19.000 -0.042 0.000 0.810 256 A HN 0.571 nan 8.150 nan 0.000 0.448 257 A N -0.723 122.079 122.820 -0.031 0.000 1.897 257 A HA 0.221 4.541 4.320 -0.000 0.000 0.215 257 A C 2.352 179.922 177.584 -0.022 0.000 1.181 257 A CA 1.642 53.666 52.037 -0.022 0.000 0.620 257 A CB -1.172 17.812 19.000 -0.025 0.000 0.821 257 A HN 0.709 nan 8.150 nan 0.000 0.443 258 G N -1.022 107.762 108.800 -0.028 0.000 2.484 258 G HA2 0.007 3.967 3.960 -0.000 0.000 0.218 258 G HA3 0.007 3.967 3.960 -0.000 0.000 0.218 258 G C 1.538 176.424 174.900 -0.024 0.000 1.130 258 G CA 1.137 46.221 45.100 -0.026 0.000 0.784 258 G HN 0.482 nan 8.290 nan 0.000 0.543 259 S N 0.268 115.953 115.700 -0.025 0.000 2.496 259 S HA 0.031 4.501 4.470 -0.000 0.000 0.224 259 S C 2.321 176.907 174.600 -0.022 0.000 0.996 259 S CA 0.909 59.094 58.200 -0.024 0.000 0.927 259 S CB 0.130 63.315 63.200 -0.026 0.000 0.774 259 S HN 0.606 nan 8.310 nan 0.000 0.524 260 S N 3.150 118.839 115.700 -0.019 0.000 2.910 260 S HA 0.108 4.578 4.470 -0.000 0.000 0.167 260 S C 0.924 175.517 174.600 -0.012 0.000 0.681 260 S CA 0.148 58.338 58.200 -0.017 0.000 0.828 260 S CB -0.503 62.689 63.200 -0.013 0.000 0.739 260 S HN 0.475 nan 8.310 nan 0.000 0.611 261 N N 1.379 120.077 118.700 -0.004 0.000 2.235 261 N HA 0.281 5.021 4.740 -0.000 0.000 0.231 261 N C 0.094 175.601 175.510 -0.004 0.000 1.177 261 N CA -0.149 52.901 53.050 -0.000 0.000 0.874 261 N CB -0.403 38.092 38.487 0.012 0.000 1.097 261 N HN 0.603 nan 8.380 nan 0.000 0.518 262 L N -0.325 120.892 121.223 -0.010 0.000 3.843 262 L HA -0.305 4.035 4.340 -0.000 0.000 0.411 262 L C 0.084 176.944 176.870 -0.016 0.000 1.205 262 L CA 0.693 55.524 54.840 -0.015 0.000 0.945 262 L CB -1.771 40.279 42.059 -0.015 0.000 1.929 262 L HN 0.463 nan 8.230 nan 0.000 0.934 263 K N 0.436 120.829 120.400 -0.012 0.000 2.336 263 K HA 0.421 4.741 4.320 -0.000 0.000 0.262 263 K C 0.344 176.928 176.600 -0.028 0.000 0.992 263 K CA -0.557 55.721 56.287 -0.016 0.000 0.927 263 K CB 0.534 33.030 32.500 -0.006 0.000 0.956 263 K HN 0.143 nan 8.250 nan 0.000 0.495 264 R N 0.677 121.153 120.500 -0.040 0.000 2.594 264 R HA 0.247 4.587 4.340 -0.000 0.000 0.272 264 R C -0.690 175.578 176.300 -0.053 0.000 1.074 264 R CA -0.592 55.475 56.100 -0.055 0.000 1.105 264 R CB 0.909 31.160 30.300 -0.081 0.000 1.008 264 R HN 0.378 nan 8.270 nan 0.000 0.472 265 V N 1.546 121.429 119.914 -0.050 0.000 2.623 265 V HA 0.343 4.463 4.120 -0.000 0.000 0.304 265 V C -0.349 175.726 176.094 -0.032 0.000 1.054 265 V CA -0.855 61.426 62.300 -0.032 0.000 0.882 265 V CB 2.026 33.835 31.823 -0.023 0.000 1.002 265 V HN 0.985 nan 8.190 nan 0.000 0.424 266 T N 3.155 117.700 114.554 -0.015 0.000 2.824 266 T HA 0.847 5.197 4.350 -0.000 0.000 0.282 266 T C -0.949 173.791 174.700 0.066 0.000 0.993 266 T CA -0.640 61.457 62.100 -0.006 0.000 0.967 266 T CB 1.414 70.253 68.868 -0.049 0.000 0.960 266 T HN 0.376 nan 8.240 nan 0.000 0.441 267 L N 2.510 123.778 121.223 0.074 0.000 2.362 267 L HA 0.564 4.904 4.340 -0.000 0.000 0.275 267 L C -0.008 176.923 176.870 0.101 0.000 0.998 267 L CA -0.848 54.085 54.840 0.155 0.000 0.820 267 L CB 2.057 44.210 42.059 0.156 0.000 1.270 267 L HN 0.656 nan 8.230 nan 0.000 0.415 268 E N 5.214 125.475 120.200 0.102 0.000 2.376 268 E HA 0.397 4.747 4.350 -0.000 0.000 0.236 268 E C -0.709 175.925 176.600 0.056 0.000 0.962 268 E CA -0.257 56.167 56.400 0.039 0.000 0.768 268 E CB 1.509 31.231 29.700 0.037 0.000 1.236 268 E HN 0.485 nan 8.360 nan 0.000 0.431 269 L N 0.081 121.362 121.223 0.097 0.000 2.469 269 L HA 0.500 4.840 4.340 -0.000 0.000 0.253 269 L C 1.407 178.328 176.870 0.085 0.000 1.143 269 L CA -0.792 54.127 54.840 0.132 0.000 0.804 269 L CB 0.315 42.495 42.059 0.202 0.000 1.214 269 L HN 0.345 nan 8.230 nan 0.000 0.476 270 G N -1.210 107.616 108.800 0.043 0.000 2.468 270 G HA2 0.545 4.505 3.960 -0.000 0.000 0.264 270 G HA3 0.545 4.505 3.960 -0.000 0.000 0.264 270 G C -0.267 174.425 174.900 -0.348 0.000 1.460 270 G CA 0.219 45.256 45.100 -0.104 0.000 1.060 270 G HN 0.906 nan 8.290 nan 0.000 0.543 271 G N -2.248 106.148 108.800 -0.675 0.000 2.495 271 G HA2 0.465 4.425 3.960 -0.000 0.000 0.294 271 G HA3 0.465 4.425 3.960 -0.000 0.000 0.294 271 G C -1.442 173.098 174.900 -0.601 0.000 1.397 271 G CA -0.494 44.085 45.100 -0.868 0.000 0.790 271 G HN 0.560 nan 8.290 nan 0.000 0.486 272 K N 0.722 120.992 120.400 -0.217 0.000 3.206 272 K HA 0.476 4.796 4.320 -0.000 0.000 0.180 272 K C 0.059 176.716 176.600 0.095 0.000 1.088 272 K CA -0.353 55.928 56.287 -0.010 0.000 0.872 272 K CB 0.096 32.673 32.500 0.128 0.000 0.976 272 K HN 0.424 nan 8.250 nan 0.000 0.564 273 S N 3.898 119.661 115.700 0.105 0.000 2.546 273 S HA 0.075 4.545 4.470 -0.000 0.000 0.290 273 S C -2.255 172.482 174.600 0.228 0.000 1.262 273 S CA -0.535 57.775 58.200 0.183 0.000 1.083 273 S CB 0.069 63.431 63.200 0.270 0.000 0.859 273 S HN 0.404 nan 8.310 nan 0.000 0.495 274 P HA 0.168 nan 4.420 nan 0.000 0.285 274 P C -0.987 176.512 177.300 0.332 0.000 1.259 274 P CA -0.601 62.694 63.100 0.326 0.000 0.794 274 P CB 0.561 32.411 31.700 0.250 0.000 0.940 275 N N 3.649 122.557 118.700 0.347 0.000 2.569 275 N HA 0.301 5.041 4.740 -0.000 0.000 0.254 275 N C -0.723 174.976 175.510 0.314 0.000 1.004 275 N CA -0.614 52.643 53.050 0.346 0.000 0.904 275 N CB 0.527 39.128 38.487 0.190 0.000 1.165 275 N HN 0.304 nan 8.380 nan 0.000 0.513 276 I N 4.647 125.394 120.570 0.295 0.000 2.312 276 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 276 I C -0.069 176.233 176.117 0.308 0.000 1.031 276 I CA -0.586 60.849 61.300 0.225 0.000 1.293 276 I CB 0.897 38.910 38.000 0.022 0.000 1.403 276 I HN 0.361 nan 8.210 nan 0.000 0.484 277 I N 7.126 127.860 120.570 0.273 0.000 2.328 277 I HA 0.318 4.488 4.170 -0.000 0.000 0.287 277 I C 0.202 176.502 176.117 0.305 0.000 1.012 277 I CA -0.508 60.922 61.300 0.218 0.000 1.195 277 I CB 0.862 38.770 38.000 -0.154 0.000 1.350 277 I HN 0.478 nan 8.210 nan 0.000 0.464 278 M N 3.810 123.601 119.600 0.318 0.000 2.247 278 M HA 0.161 4.641 4.480 -0.000 0.000 0.326 278 M C 1.682 178.089 176.300 0.179 0.000 1.134 278 M CA -0.091 55.384 55.300 0.293 0.000 1.136 278 M CB 0.827 33.579 32.600 0.253 0.000 1.454 278 M HN 0.672 nan 8.290 nan 0.000 0.467 279 S N 0.452 116.222 115.700 0.116 0.000 2.440 279 S HA -0.166 4.304 4.470 -0.000 0.000 0.238 279 S C 0.816 175.477 174.600 0.100 0.000 1.010 279 S CA 1.484 59.732 58.200 0.079 0.000 0.972 279 S CB -0.530 62.692 63.200 0.036 0.000 0.774 279 S HN 0.750 nan 8.310 nan 0.000 0.501 280 D N 1.658 122.127 120.400 0.115 0.000 2.328 280 D HA 0.381 5.021 4.640 -0.000 0.000 0.221 280 D C 0.621 177.006 176.300 0.142 0.000 1.072 280 D CA 0.208 54.274 54.000 0.111 0.000 0.850 280 D CB -0.361 40.493 40.800 0.091 0.000 0.922 280 D HN 0.539 nan 8.370 nan 0.000 0.516 281 A N 0.504 123.436 122.820 0.186 0.000 2.406 281 A HA 0.219 4.539 4.320 -0.000 0.000 0.243 281 A C 0.002 177.729 177.584 0.239 0.000 1.082 281 A CA -0.351 51.838 52.037 0.254 0.000 0.786 281 A CB 0.128 19.333 19.000 0.341 0.000 1.029 281 A HN 0.123 nan 8.150 nan 0.000 0.495 282 D N 1.484 122.056 120.400 0.288 0.000 2.359 282 D HA 0.179 4.819 4.640 -0.000 0.000 0.250 282 D C 1.039 177.507 176.300 0.281 0.000 1.264 282 D CA -0.152 54.000 54.000 0.253 0.000 0.911 282 D CB 0.284 41.239 40.800 0.258 0.000 1.056 282 D HN 0.421 nan 8.370 nan 0.000 0.499 283 M N 3.571 123.295 119.600 0.208 0.000 2.088 283 M HA -0.224 4.256 4.480 -0.000 0.000 0.256 283 M C 1.382 177.779 176.300 0.160 0.000 1.071 283 M CA 1.902 57.315 55.300 0.188 0.000 1.097 283 M CB -0.497 32.184 32.600 0.135 0.000 1.315 283 M HN 0.510 nan 8.290 nan 0.000 0.406 284 D N -1.025 119.466 120.400 0.152 0.000 2.092 284 D HA -0.264 4.376 4.640 -0.000 0.000 0.193 284 D C 1.918 178.340 176.300 0.202 0.000 0.994 284 D CA 1.791 55.872 54.000 0.135 0.000 0.828 284 D CB -0.635 40.249 40.800 0.140 0.000 0.963 284 D HN 0.686 nan 8.370 nan 0.000 0.450 285 W N 1.106 122.448 121.300 0.069 0.000 2.381 285 W HA -0.143 4.517 4.660 -0.000 0.000 0.301 285 W C 2.047 178.609 176.519 0.072 0.000 1.205 285 W CA 1.477 58.881 57.345 0.097 0.000 1.285 285 W CB -0.193 29.363 29.460 0.160 0.000 1.133 285 W HN 0.066 nan 8.180 nan 0.000 0.521 286 A N 0.340 123.234 122.820 0.123 0.000 1.902 286 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 286 A C 2.020 179.519 177.584 -0.143 0.000 1.181 286 A CA 2.119 54.013 52.037 -0.239 0.000 0.623 286 A CB -1.129 17.885 19.000 0.024 0.000 0.818 286 A HN 0.145 nan 8.150 nan 0.000 0.443 287 V N 0.481 120.391 119.914 -0.006 0.000 2.358 287 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 287 V C 2.590 178.594 176.094 -0.151 0.000 1.047 287 V CA 2.325 64.523 62.300 -0.171 0.000 1.035 287 V CB -0.759 30.884 31.823 -0.301 0.000 0.658 287 V HN 0.893 nan 8.190 nan 0.000 0.452 288 E N -0.538 119.573 120.200 -0.149 0.000 2.150 288 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 288 E C 2.142 178.657 176.600 -0.143 0.000 0.985 288 E CA 1.045 57.367 56.400 -0.130 0.000 0.814 288 E CB -0.111 29.517 29.700 -0.121 0.000 0.752 288 E HN 0.515 nan 8.360 nan 0.000 0.466 289 Q N 0.065 119.645 119.800 -0.367 0.000 2.187 289 Q HA 0.049 4.389 4.340 -0.000 0.000 0.199 289 Q C 2.110 177.993 176.000 -0.196 0.000 0.957 289 Q CA 1.230 56.810 55.803 -0.371 0.000 0.857 289 Q CB 0.025 28.386 28.738 -0.629 0.000 0.929 289 Q HN 0.432 nan 8.270 nan 0.000 0.453 290 A N -0.049 122.640 122.820 -0.217 0.000 1.969 290 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 290 A C 1.887 179.462 177.584 -0.015 0.000 1.169 290 A CA 1.755 53.723 52.037 -0.116 0.000 0.635 290 A CB -0.626 18.456 19.000 0.138 0.000 0.810 290 A HN 0.432 nan 8.150 nan 0.000 0.445 291 H N -1.522 117.553 119.070 0.008 0.000 2.326 291 H HA -0.110 4.446 4.556 -0.000 0.000 0.301 291 H C 1.692 177.166 175.328 0.243 0.000 1.081 291 H CA 2.118 58.277 56.048 0.185 0.000 1.334 291 H CB -0.404 29.417 29.762 0.098 0.000 1.385 291 H HN 0.458 nan 8.280 nan 0.000 0.504 292 F N 0.795 120.758 119.950 0.022 0.000 2.134 292 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 292 F C 2.510 178.259 175.800 -0.085 0.000 1.097 292 F CA 1.420 59.414 58.000 -0.010 0.000 1.264 292 F CB -0.677 38.288 39.000 -0.058 0.000 1.001 292 F HN 0.287 nan 8.300 nan 0.000 0.479 293 A N 0.373 123.026 122.820 -0.279 0.000 1.958 293 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 293 A C 2.113 179.368 177.584 -0.548 0.000 1.178 293 A CA 2.249 53.856 52.037 -0.717 0.000 0.642 293 A CB -1.075 17.173 19.000 -1.255 0.000 0.816 293 A HN 0.604 nan 8.150 nan 0.000 0.453 294 L N -2.968 117.985 121.223 -0.451 0.000 2.262 294 L HA 0.283 4.623 4.340 -0.000 0.000 0.197 294 L C 2.037 178.594 176.870 -0.522 0.000 1.073 294 L CA 0.947 55.488 54.840 -0.498 0.000 0.800 294 L CB -0.138 41.529 42.059 -0.653 0.000 0.987 294 L HN 0.277 nan 8.230 nan 0.000 0.470 295 F N -0.579 119.187 119.950 -0.307 0.000 2.604 295 F HA -0.046 4.481 4.527 0.000 0.000 0.298 295 F C 1.019 176.698 175.800 -0.201 0.000 1.131 295 F CA 0.164 57.997 58.000 -0.277 0.000 1.457 295 F CB -0.536 38.207 39.000 -0.429 0.000 1.095 295 F HN -0.039 nan 8.300 nan 0.000 0.574 296 F N 2.126 121.913 119.950 -0.271 0.000 2.629 296 F HA -0.057 4.470 4.527 -0.000 0.000 0.377 296 F C 1.212 176.905 175.800 -0.178 0.000 1.101 296 F CA -0.088 57.734 58.000 -0.297 0.000 1.301 296 F CB 0.084 38.654 39.000 -0.718 0.000 1.062 296 F HN 0.107 nan 8.300 nan 0.000 0.583 297 N N 3.449 121.575 118.700 -0.957 0.000 2.740 297 N HA -0.300 4.440 4.740 -0.000 0.000 0.248 297 N C -0.078 175.153 175.510 -0.465 0.000 1.062 297 N CA 1.351 53.887 53.050 -0.856 0.000 0.704 297 N CB -0.959 36.844 38.487 -1.139 0.000 0.968 297 N HN 0.774 nan 8.380 nan 0.000 0.547 298 Q N -2.395 117.243 119.800 -0.271 0.000 2.494 298 Q HA -0.171 4.169 4.340 -0.000 0.000 0.266 298 Q C 1.270 177.174 176.000 -0.159 0.000 1.053 298 Q CA 2.232 57.947 55.803 -0.147 0.000 1.029 298 Q CB -1.875 26.773 28.738 -0.151 0.000 1.423 298 Q HN 1.190 nan 8.270 nan 0.000 0.516 299 G N -1.068 107.600 108.800 -0.221 0.000 2.220 299 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.269 299 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.269 299 G C 0.189 174.825 174.900 -0.441 0.000 0.977 299 G CA 0.477 45.415 45.100 -0.269 0.000 0.634 299 G HN 0.471 nan 8.290 nan 0.000 0.539 300 Q N 0.025 119.500 119.800 -0.543 0.000 3.184 300 Q HA 0.461 4.801 4.340 -0.000 0.000 0.288 300 Q C -0.050 175.353 176.000 -0.996 0.000 1.412 300 Q CA 0.045 55.229 55.803 -1.032 0.000 0.991 300 Q CB 0.393 28.887 28.738 -0.406 0.000 1.688 300 Q HN 0.367 nan 8.270 nan 0.000 0.554 301 C N 0.175 118.976 119.300 -0.831 0.000 2.431 301 C HA 0.285 4.745 4.460 -0.000 0.000 0.321 301 C C 1.953 176.997 174.990 0.090 0.000 1.202 301 C CA -0.831 58.109 59.018 -0.130 0.000 1.398 301 C CB 0.159 27.962 27.740 0.105 0.000 2.047 301 C HN 0.975 nan 8.230 nan 0.000 0.465 302 C N 1.660 121.169 119.300 0.349 0.000 2.413 302 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 302 C C 1.875 177.068 174.990 0.340 0.000 1.265 302 C CA 1.451 60.725 59.018 0.427 0.000 1.752 302 C CB -2.410 25.550 27.740 0.367 0.000 1.998 302 C HN 0.989 nan 8.230 nan 0.000 0.489 303 C N 1.321 120.877 119.300 0.426 0.000 2.395 303 C HA 0.765 5.225 4.460 -0.000 0.000 0.315 303 C C 1.119 176.391 174.990 0.470 0.000 1.399 303 C CA -0.892 58.400 59.018 0.457 0.000 1.788 303 C CB -2.506 25.634 27.740 0.667 0.000 2.564 303 C HN 0.714 nan 8.230 nan 0.000 0.552 304 A N 0.882 123.875 122.820 0.289 0.000 2.511 304 A HA 0.504 4.824 4.320 -0.000 0.000 0.242 304 A C 1.117 178.773 177.584 0.121 0.000 1.069 304 A CA 0.678 52.810 52.037 0.158 0.000 0.763 304 A CB -0.013 18.980 19.000 -0.011 0.000 1.001 304 A HN 1.167 nan 8.150 nan 0.000 0.498 305 G N 1.686 110.442 108.800 -0.073 0.000 3.008 305 G HA2 0.321 4.281 3.960 -0.000 0.000 0.272 305 G HA3 0.321 4.281 3.960 -0.000 0.000 0.272 305 G C 0.839 175.667 174.900 -0.120 0.000 0.764 305 G CA 0.368 45.399 45.100 -0.115 0.000 2.029 305 G HN 1.055 nan 8.290 nan 0.000 0.587 306 S N 0.723 116.394 115.700 -0.049 0.000 2.603 306 S HA 0.162 4.632 4.470 -0.000 0.000 0.220 306 S C 0.984 175.545 174.600 -0.065 0.000 0.967 306 S CA -0.191 57.959 58.200 -0.084 0.000 0.920 306 S CB 0.434 63.589 63.200 -0.076 0.000 0.773 306 S HN 0.439 nan 8.310 nan 0.000 0.529 307 R N 1.713 122.197 120.500 -0.027 0.000 2.607 307 R HA 0.256 4.596 4.340 -0.000 0.000 0.278 307 R C -1.227 175.020 176.300 -0.089 0.000 1.637 307 R CA -0.085 55.957 56.100 -0.098 0.000 1.325 307 R CB 1.176 31.480 30.300 0.007 0.000 1.211 307 R HN 0.117 nan 8.270 nan 0.000 0.565 308 T N 3.799 118.279 114.554 -0.123 0.000 2.855 308 T HA 0.223 4.573 4.350 -0.000 0.000 0.290 308 T C -0.115 174.539 174.700 -0.076 0.000 0.941 308 T CA 0.121 62.196 62.100 -0.041 0.000 1.030 308 T CB -0.212 68.660 68.868 0.006 0.000 0.935 308 T HN 0.149 nan 8.240 nan 0.000 0.564 309 F N 2.644 122.635 119.950 0.068 0.000 2.420 309 F HA 0.432 4.959 4.527 0.000 0.000 0.352 309 F C 0.385 176.359 175.800 0.290 0.000 1.108 309 F CA -0.649 57.463 58.000 0.186 0.000 1.162 309 F CB 0.871 39.891 39.000 0.034 0.000 1.118 309 F HN 0.170 nan 8.300 nan 0.000 0.510 310 V N 3.921 124.120 119.914 0.475 0.000 2.531 310 V HA 0.254 4.374 4.120 -0.000 0.000 0.301 310 V C -0.166 175.870 176.094 -0.096 0.000 1.034 310 V CA -1.124 61.276 62.300 0.167 0.000 0.865 310 V CB 1.605 33.375 31.823 -0.089 0.000 0.995 310 V HN 0.665 nan 8.190 nan 0.000 0.424 311 Q N 2.299 121.814 119.800 -0.474 0.000 2.361 311 Q HA 0.034 4.374 4.340 -0.000 0.000 0.276 311 Q C 1.437 177.233 176.000 -0.341 0.000 1.022 311 Q CA 0.397 55.621 55.803 -0.966 0.000 0.898 311 Q CB 0.877 29.243 28.738 -0.620 0.000 1.246 311 Q HN 0.935 nan 8.270 nan 0.000 0.410 312 E N 2.528 122.536 120.200 -0.320 0.000 2.114 312 E HA -0.322 4.028 4.350 -0.000 0.000 0.199 312 E C 0.375 176.971 176.600 -0.006 0.000 1.008 312 E CA 1.805 58.140 56.400 -0.108 0.000 0.810 312 E CB -0.059 29.566 29.700 -0.125 0.000 0.739 312 E HN 0.649 nan 8.360 nan 0.000 0.456 313 D N 1.019 121.398 120.400 -0.034 0.000 2.263 313 D HA -0.116 4.524 4.640 -0.000 0.000 0.208 313 D C 1.972 178.303 176.300 0.051 0.000 0.971 313 D CA 1.509 55.516 54.000 0.012 0.000 0.867 313 D CB -0.066 40.736 40.800 0.003 0.000 0.929 313 D HN 0.647 nan 8.370 nan 0.000 0.492 314 I N -3.732 116.877 120.570 0.064 0.000 4.081 314 I HA 0.182 4.352 4.170 -0.000 0.000 0.333 314 I C 1.739 177.947 176.117 0.152 0.000 1.413 314 I CA -0.604 60.758 61.300 0.103 0.000 1.110 314 I CB -0.059 38.002 38.000 0.103 0.000 1.082 314 I HN -0.251 nan 8.210 nan 0.000 0.402 315 Y N 2.898 123.224 120.300 0.043 0.000 2.030 315 Y HA -0.311 4.239 4.550 -0.000 0.000 0.274 315 Y C 2.140 178.117 175.900 0.129 0.000 1.153 315 Y CA 2.428 60.575 58.100 0.079 0.000 1.115 315 Y CB -0.094 38.379 38.460 0.021 0.000 0.969 315 Y HN 0.217 nan 8.280 nan 0.000 0.488 316 D N 0.030 120.524 120.400 0.157 0.000 2.116 316 D HA -0.242 4.398 4.640 -0.000 0.000 0.193 316 D C 2.063 178.354 176.300 -0.015 0.000 0.998 316 D CA 1.853 55.889 54.000 0.061 0.000 0.836 316 D CB -0.506 40.367 40.800 0.121 0.000 0.951 316 D HN 0.631 nan 8.370 nan 0.000 0.449 317 E N -0.450 119.767 120.200 0.027 0.000 2.047 317 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 317 E C 2.093 178.676 176.600 -0.028 0.000 0.987 317 E CA 0.466 56.871 56.400 0.009 0.000 0.799 317 E CB -0.218 29.507 29.700 0.041 0.000 0.752 317 E HN 0.188 nan 8.360 nan 0.000 0.449 318 F N 0.945 120.833 119.950 -0.103 0.000 2.069 318 F HA -0.245 4.282 4.527 0.000 0.000 0.298 318 F C 2.081 177.784 175.800 -0.162 0.000 1.113 318 F CA 1.636 59.566 58.000 -0.118 0.000 1.214 318 F CB -0.420 38.511 39.000 -0.113 0.000 0.978 318 F HN -0.104 nan 8.300 nan 0.000 0.474 319 V N 0.485 120.296 119.914 -0.172 0.000 2.332 319 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 319 V C 2.265 178.235 176.094 -0.206 0.000 1.055 319 V CA 2.357 64.520 62.300 -0.228 0.000 1.038 319 V CB -0.835 30.786 31.823 -0.338 0.000 0.651 319 V HN 0.378 nan 8.190 nan 0.000 0.450 320 E N -0.083 120.017 120.200 -0.166 0.000 2.058 320 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 320 E C 2.478 178.979 176.600 -0.166 0.000 0.997 320 E CA 1.454 57.777 56.400 -0.128 0.000 0.801 320 E CB -0.184 29.465 29.700 -0.086 0.000 0.746 320 E HN 0.541 nan 8.360 nan 0.000 0.450 321 R N 0.246 120.611 120.500 -0.224 0.000 2.092 321 R HA -0.038 4.302 4.340 -0.000 0.000 0.231 321 R C 2.517 178.637 176.300 -0.300 0.000 1.119 321 R CA 1.313 57.263 56.100 -0.250 0.000 0.970 321 R CB -0.076 30.062 30.300 -0.270 0.000 0.864 321 R HN -0.006 nan 8.270 nan 0.000 0.440 322 S N 0.169 115.629 115.700 -0.400 0.000 2.368 322 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 322 S C 2.077 176.593 174.600 -0.141 0.000 1.029 322 S CA 1.172 59.190 58.200 -0.302 0.000 0.988 322 S CB -0.115 62.882 63.200 -0.338 0.000 0.838 322 S HN 0.055 nan 8.310 nan 0.000 0.462 323 V N 2.144 121.978 119.914 -0.133 0.000 2.358 323 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 323 V C 2.690 178.717 176.094 -0.110 0.000 1.047 323 V CA 1.624 63.870 62.300 -0.089 0.000 1.035 323 V CB -1.262 30.514 31.823 -0.078 0.000 0.658 323 V HN 0.535 nan 8.190 nan 0.000 0.452 324 A N 0.359 123.100 122.820 -0.132 0.000 1.908 324 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 324 A C 2.317 179.797 177.584 -0.172 0.000 1.181 324 A CA 2.247 54.203 52.037 -0.134 0.000 0.627 324 A CB -0.530 18.392 19.000 -0.129 0.000 0.818 324 A HN 0.450 nan 8.150 nan 0.000 0.445 325 R N 0.015 120.378 120.500 -0.228 0.000 2.092 325 R HA 0.040 4.379 4.340 -0.000 0.000 0.231 325 R C 2.110 178.182 176.300 -0.379 0.000 1.119 325 R CA 1.729 57.612 56.100 -0.362 0.000 0.970 325 R CB -0.773 29.232 30.300 -0.493 0.000 0.864 325 R HN 0.404 nan 8.270 nan 0.000 0.440 326 A N 0.569 123.253 122.820 -0.227 0.000 1.898 326 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 326 A C 1.900 179.370 177.584 -0.189 0.000 1.181 326 A CA 1.553 53.458 52.037 -0.219 0.000 0.620 326 A CB -0.331 18.603 19.000 -0.110 0.000 0.819 326 A HN 0.358 nan 8.150 nan 0.000 0.442 327 K N 0.499 120.816 120.400 -0.139 0.000 2.211 327 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 327 K C 2.019 178.555 176.600 -0.106 0.000 1.050 327 K CA 1.454 57.678 56.287 -0.106 0.000 0.945 327 K CB -0.134 32.314 32.500 -0.086 0.000 0.732 327 K HN 0.634 nan 8.250 nan 0.000 0.451 328 S N 0.659 116.280 115.700 -0.132 0.000 2.593 328 S HA -0.008 4.462 4.470 -0.000 0.000 0.217 328 S C 0.810 175.345 174.600 -0.110 0.000 0.966 328 S CA -0.303 57.828 58.200 -0.115 0.000 0.914 328 S CB -0.077 63.049 63.200 -0.124 0.000 0.776 328 S HN 0.133 nan 8.310 nan 0.000 0.523 329 R N 1.981 122.403 120.500 -0.131 0.000 2.404 329 R HA 0.232 4.572 4.340 -0.000 0.000 0.315 329 R C -0.953 175.316 176.300 -0.051 0.000 1.032 329 R CA -0.168 55.877 56.100 -0.092 0.000 0.992 329 R CB 0.216 30.437 30.300 -0.132 0.000 0.959 329 R HN 0.162 nan 8.270 nan 0.000 0.428 330 V N 6.443 126.344 119.914 -0.021 0.000 2.446 330 V HA 0.047 4.167 4.120 -0.000 0.000 0.276 330 V C 0.156 176.264 176.094 0.023 0.000 1.030 330 V CA -0.034 62.263 62.300 -0.004 0.000 1.033 330 V CB 1.083 32.907 31.823 0.003 0.000 0.993 330 V HN 0.461 nan 8.190 nan 0.000 0.477 331 V N 5.103 125.034 119.914 0.028 0.000 2.435 331 V HA 1.001 5.121 4.120 -0.000 0.000 0.290 331 V C 0.638 176.762 176.094 0.050 0.000 1.030 331 V CA 0.493 62.846 62.300 0.088 0.000 0.881 331 V CB 1.028 32.919 31.823 0.114 0.000 0.983 331 V HN 1.118 nan 8.190 nan 0.000 0.445 332 G N 3.398 112.277 108.800 0.132 0.000 2.356 332 G HA2 0.168 4.128 3.960 -0.000 0.000 0.281 332 G HA3 0.168 4.128 3.960 -0.000 0.000 0.281 332 G C -1.064 173.938 174.900 0.170 0.000 1.246 332 G CA -0.884 44.216 45.100 -0.001 0.000 0.889 332 G HN 0.646 nan 8.290 nan 0.000 0.486 333 N N 2.010 120.746 118.700 0.061 0.000 2.414 333 N HA 0.195 4.935 4.740 -0.000 0.000 0.268 333 N C -0.445 175.133 175.510 0.112 0.000 1.286 333 N CA -0.980 52.146 53.050 0.128 0.000 0.896 333 N CB 1.337 39.877 38.487 0.088 0.000 1.093 333 N HN 0.147 nan 8.380 nan 0.000 0.480 334 P HA -0.173 nan 4.420 nan 0.000 0.218 334 P C 0.719 177.936 177.300 -0.139 0.000 1.146 334 P CA 1.374 64.421 63.100 -0.089 0.000 0.813 334 P CB -0.058 31.500 31.700 -0.236 0.000 0.778 335 F N -0.273 119.705 119.950 0.048 0.000 2.811 335 F HA 0.077 4.604 4.527 0.000 0.000 0.301 335 F C 1.334 177.147 175.800 0.021 0.000 1.151 335 F CA 0.087 58.093 58.000 0.009 0.000 1.412 335 F CB -0.096 38.856 39.000 -0.079 0.000 1.113 335 F HN -0.107 nan 8.300 nan 0.000 0.579 336 D N 0.184 120.686 120.400 0.171 0.000 2.277 336 D HA 0.013 4.653 4.640 -0.000 0.000 0.249 336 D C 1.206 177.570 176.300 0.107 0.000 1.134 336 D CA 0.220 54.288 54.000 0.114 0.000 0.863 336 D CB 1.526 42.370 40.800 0.073 0.000 1.143 336 D HN 0.154 nan 8.370 nan 0.000 0.458 337 S N 3.826 119.587 115.700 0.102 0.000 2.402 337 S HA -0.212 4.258 4.470 -0.000 0.000 0.233 337 S C 1.375 176.016 174.600 0.068 0.000 1.030 337 S CA 0.966 59.223 58.200 0.094 0.000 1.003 337 S CB -0.075 63.171 63.200 0.078 0.000 0.813 337 S HN 0.537 nan 8.310 nan 0.000 0.477 338 K N 0.986 121.417 120.400 0.052 0.000 2.365 338 K HA 0.105 4.425 4.320 -0.000 0.000 0.197 338 K C 0.110 176.735 176.600 0.041 0.000 1.042 338 K CA 0.447 56.757 56.287 0.038 0.000 0.987 338 K CB -0.191 32.322 32.500 0.022 0.000 0.779 338 K HN 0.287 nan 8.250 nan 0.000 0.484 339 T N 2.118 116.704 114.554 0.052 0.000 2.817 339 T HA 0.018 4.368 4.350 -0.000 0.000 0.295 339 T C 0.815 175.551 174.700 0.060 0.000 0.958 339 T CA 0.323 62.456 62.100 0.056 0.000 1.157 339 T CB 0.963 69.871 68.868 0.066 0.000 0.898 339 T HN 0.196 nan 8.240 nan 0.000 0.536 340 E N 1.880 122.115 120.200 0.060 0.000 2.201 340 E HA 0.033 4.383 4.350 -0.000 0.000 0.193 340 E C 0.862 177.502 176.600 0.067 0.000 0.957 340 E CA 0.229 56.674 56.400 0.075 0.000 0.858 340 E CB 0.496 30.241 29.700 0.076 0.000 0.816 340 E HN 0.574 nan 8.360 nan 0.000 0.475 341 Q N 0.416 120.252 119.800 0.059 0.000 2.310 341 Q HA 0.425 4.765 4.340 -0.000 0.000 0.270 341 Q C -0.523 175.518 176.000 0.069 0.000 1.025 341 Q CA -0.628 55.203 55.803 0.047 0.000 0.772 341 Q CB 1.734 30.509 28.738 0.062 0.000 1.253 341 Q HN 0.121 nan 8.270 nan 0.000 0.450 342 G N 3.242 112.030 108.800 -0.019 0.000 2.543 342 G HA2 0.582 4.542 3.960 -0.000 0.000 0.267 342 G HA3 0.582 4.542 3.960 -0.000 0.000 0.267 342 G C -2.518 172.190 174.900 -0.320 0.000 1.406 342 G CA -1.046 44.008 45.100 -0.076 0.000 1.048 342 G HN 0.582 nan 8.290 nan 0.000 0.548 343 P HA 0.222 nan 4.420 nan 0.000 0.279 343 P C -0.860 176.212 177.300 -0.381 0.000 1.276 343 P CA -0.431 62.107 63.100 -0.938 0.000 0.801 343 P CB 0.970 31.874 31.700 -1.327 0.000 1.127 344 Q N -0.159 119.514 119.800 -0.212 0.000 2.368 344 Q HA 0.075 4.415 4.340 -0.000 0.000 0.237 344 Q C 1.370 177.264 176.000 -0.176 0.000 0.987 344 Q CA -0.445 55.292 55.803 -0.110 0.000 0.896 344 Q CB 0.436 29.186 28.738 0.019 0.000 1.241 344 Q HN 0.201 nan 8.270 nan 0.000 0.485 345 V N 0.723 120.463 119.914 -0.290 0.000 2.324 345 V HA -0.236 3.884 4.120 -0.000 0.000 0.250 345 V C 0.377 176.229 176.094 -0.403 0.000 1.060 345 V CA 2.814 64.863 62.300 -0.419 0.000 1.042 345 V CB -0.074 31.203 31.823 -0.909 0.000 0.650 345 V HN 1.003 nan 8.190 nan 0.000 0.450 346 D N -3.450 116.621 120.400 -0.547 0.000 2.692 346 D HA 0.119 4.759 4.640 -0.000 0.000 0.303 346 D C 0.649 176.299 176.300 -1.083 0.000 1.278 346 D CA -0.052 53.511 54.000 -0.728 0.000 0.852 346 D CB 0.722 41.237 40.800 -0.474 0.000 1.375 346 D HN 0.024 nan 8.370 nan 0.000 0.453 347 E N -0.579 118.909 120.200 -1.187 0.000 2.110 347 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 347 E C 1.160 177.626 176.600 -0.223 0.000 0.988 347 E CA 1.831 57.795 56.400 -0.727 0.000 0.804 347 E CB -0.059 29.470 29.700 -0.286 0.000 0.745 347 E HN 0.539 nan 8.360 nan 0.000 0.458 348 T N 1.172 115.600 114.554 -0.211 0.000 2.652 348 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 348 T C 1.809 176.471 174.700 -0.063 0.000 1.039 348 T CA 1.246 63.285 62.100 -0.103 0.000 1.153 348 T CB -0.187 68.624 68.868 -0.094 0.000 0.863 348 T HN 0.150 nan 8.240 nan 0.000 0.428 349 Q N -0.008 119.728 119.800 -0.107 0.000 2.119 349 Q HA 0.003 4.343 4.340 -0.000 0.000 0.201 349 Q C 2.070 178.108 176.000 0.064 0.000 0.972 349 Q CA 0.966 56.765 55.803 -0.007 0.000 0.847 349 Q CB -0.675 28.021 28.738 -0.071 0.000 0.903 349 Q HN 0.533 nan 8.270 nan 0.000 0.433 350 F N 1.925 121.783 119.950 -0.154 0.000 2.091 350 F HA -0.252 4.275 4.527 -0.000 0.000 0.299 350 F C 1.973 177.774 175.800 0.003 0.000 1.103 350 F CA 1.696 59.658 58.000 -0.063 0.000 1.228 350 F CB -0.056 38.885 39.000 -0.099 0.000 0.984 350 F HN -0.020 nan 8.300 nan 0.000 0.477 351 K N -0.042 120.304 120.400 -0.090 0.000 2.031 351 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 351 K C 2.204 178.739 176.600 -0.109 0.000 1.049 351 K CA 1.351 57.537 56.287 -0.167 0.000 0.939 351 K CB -0.300 32.160 32.500 -0.067 0.000 0.717 351 K HN 0.161 nan 8.250 nan 0.000 0.438 352 K N 1.210 121.589 120.400 -0.035 0.000 2.074 352 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 352 K C 1.961 178.613 176.600 0.088 0.000 1.048 352 K CA 1.380 57.667 56.287 0.001 0.000 0.926 352 K CB -0.071 32.480 32.500 0.084 0.000 0.713 352 K HN 0.085 nan 8.250 nan 0.000 0.444 353 I N 0.693 121.336 120.570 0.122 0.000 2.202 353 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 353 I C 2.128 178.305 176.117 0.100 0.000 1.091 353 I CA 0.976 62.386 61.300 0.184 0.000 1.368 353 I CB -0.232 37.849 38.000 0.136 0.000 1.058 353 I HN 0.151 nan 8.210 nan 0.000 0.410 354 L N 0.637 121.826 121.223 -0.057 0.000 2.079 354 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 354 L C 2.676 179.526 176.870 -0.032 0.000 1.081 354 L CA 1.581 56.368 54.840 -0.089 0.000 0.752 354 L CB -1.141 40.767 42.059 -0.251 0.000 0.896 354 L HN 0.342 nan 8.230 nan 0.000 0.433 355 G N -1.148 107.610 108.800 -0.070 0.000 2.421 355 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.216 355 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.216 355 G C 1.397 176.245 174.900 -0.086 0.000 1.171 355 G CA 0.572 45.603 45.100 -0.115 0.000 0.775 355 G HN 0.295 nan 8.290 nan 0.000 0.543 356 Y N 0.547 120.850 120.300 0.004 0.000 2.181 356 Y HA -0.069 4.481 4.550 -0.000 0.000 0.288 356 Y C 2.793 178.706 175.900 0.021 0.000 1.146 356 Y CA 0.788 58.891 58.100 0.005 0.000 1.164 356 Y CB -0.075 38.397 38.460 0.020 0.000 0.982 356 Y HN 0.126 nan 8.280 nan 0.000 0.515 357 I N -0.127 120.590 120.570 0.246 0.000 2.226 357 I HA -0.353 3.817 4.170 -0.000 0.000 0.245 357 I C 2.440 178.707 176.117 0.250 0.000 1.100 357 I CA 1.396 62.888 61.300 0.319 0.000 1.374 357 I CB -0.484 37.672 38.000 0.259 0.000 1.057 357 I HN 0.356 nan 8.210 nan 0.000 0.413 358 N N 0.485 119.261 118.700 0.127 0.000 2.084 358 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 358 N C 1.733 177.275 175.510 0.054 0.000 1.030 358 N CA 2.028 55.127 53.050 0.082 0.000 0.849 358 N CB 0.052 38.554 38.487 0.026 0.000 1.012 358 N HN 0.294 nan 8.380 nan 0.000 0.423 359 T N -0.267 114.300 114.554 0.022 0.000 2.803 359 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 359 T C 1.740 176.415 174.700 -0.042 0.000 1.052 359 T CA 1.214 63.310 62.100 -0.006 0.000 1.136 359 T CB -0.586 68.278 68.868 -0.006 0.000 0.864 359 T HN 0.406 nan 8.240 nan 0.000 0.467 360 G N 1.732 110.469 108.800 -0.106 0.000 2.404 360 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 360 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 360 G C 1.599 176.411 174.900 -0.145 0.000 1.174 360 G CA 0.509 45.364 45.100 -0.409 0.000 0.780 360 G HN 0.423 nan 8.290 nan 0.000 0.537 361 K N 0.190 120.666 120.400 0.126 0.000 2.057 361 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 361 K C 2.708 179.360 176.600 0.087 0.000 1.049 361 K CA 1.228 57.632 56.287 0.195 0.000 0.931 361 K CB -0.182 32.436 32.500 0.196 0.000 0.714 361 K HN 0.339 nan 8.250 nan 0.000 0.440 362 Q N 0.713 120.542 119.800 0.047 0.000 2.170 362 Q HA -0.162 4.178 4.340 -0.000 0.000 0.203 362 Q C 1.499 177.507 176.000 0.013 0.000 0.976 362 Q CA 1.185 57.004 55.803 0.026 0.000 0.858 362 Q CB 0.004 28.750 28.738 0.013 0.000 0.907 362 Q HN 0.448 nan 8.270 nan 0.000 0.433 363 E N -0.772 119.425 120.200 -0.006 0.000 2.481 363 E HA 0.017 4.367 4.350 -0.000 0.000 0.195 363 E C 0.824 177.424 176.600 -0.000 0.000 1.047 363 E CA 0.376 56.768 56.400 -0.012 0.000 0.867 363 E CB 0.370 30.047 29.700 -0.038 0.000 0.858 363 E HN 0.529 nan 8.360 nan 0.000 0.513 364 G N 0.946 109.758 108.800 0.020 0.000 2.184 364 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.206 364 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.206 364 G C 0.309 175.247 174.900 0.064 0.000 0.995 364 G CA -0.129 44.995 45.100 0.041 0.000 0.651 364 G HN 0.413 nan 8.290 nan 0.000 0.511 365 A N 0.469 123.324 122.820 0.058 0.000 2.440 365 A HA 0.587 4.907 4.320 -0.000 0.000 0.251 365 A C 0.665 178.431 177.584 0.304 0.000 1.089 365 A CA 0.415 52.531 52.037 0.131 0.000 0.779 365 A CB 0.413 19.387 19.000 -0.042 0.000 1.022 365 A HN 0.453 nan 8.150 nan 0.000 0.492 366 K N 2.820 123.385 120.400 0.274 0.000 2.315 366 K HA 0.186 4.506 4.320 -0.000 0.000 0.291 366 K C -0.709 176.005 176.600 0.191 0.000 1.074 366 K CA -0.377 56.037 56.287 0.212 0.000 0.936 366 K CB 0.022 32.610 32.500 0.147 0.000 1.049 366 K HN 0.603 nan 8.250 nan 0.000 0.471 367 L N 6.541 127.817 121.223 0.088 0.000 2.456 367 L HA 0.049 4.389 4.340 -0.000 0.000 0.277 367 L C 0.506 177.291 176.870 -0.143 0.000 1.124 367 L CA 0.513 55.218 54.840 -0.225 0.000 0.880 367 L CB 0.369 42.310 42.059 -0.197 0.000 1.192 367 L HN 0.766 nan 8.230 nan 0.000 0.463 368 L N 4.855 125.979 121.223 -0.165 0.000 2.416 368 L HA 0.175 4.515 4.340 -0.000 0.000 0.216 368 L C 0.541 177.355 176.870 -0.093 0.000 1.098 368 L CA 0.251 55.040 54.840 -0.085 0.000 0.840 368 L CB -0.123 41.910 42.059 -0.045 0.000 0.981 368 L HN 0.843 nan 8.230 nan 0.000 0.462 369 C N -3.023 116.196 119.300 -0.135 0.000 3.275 369 C HA 0.669 5.129 4.460 -0.000 0.000 0.345 369 C C 0.671 175.596 174.990 -0.108 0.000 1.257 369 C CA -0.605 58.355 59.018 -0.097 0.000 1.203 369 C CB 0.808 28.507 27.740 -0.068 0.000 1.492 369 C HN 0.638 nan 8.230 nan 0.000 0.484 370 G N 1.179 109.940 108.800 -0.065 0.000 2.566 370 G HA2 0.359 4.319 3.960 -0.000 0.000 0.280 370 G HA3 0.359 4.319 3.960 -0.000 0.000 0.280 370 G C 1.388 176.257 174.900 -0.052 0.000 1.225 370 G CA 2.278 47.356 45.100 -0.038 0.000 0.966 370 G HN 3.372 nan 8.290 nan 0.000 0.560 371 G N -2.094 106.692 108.800 -0.025 0.000 2.163 371 G HA2 0.453 4.413 3.960 -0.000 0.000 0.213 371 G HA3 0.453 4.413 3.960 -0.000 0.000 0.213 371 G C 1.347 176.264 174.900 0.028 0.000 0.991 371 G CA 0.929 46.022 45.100 -0.011 0.000 0.653 371 G HN 2.564 nan 8.290 nan 0.000 0.518 372 G N -1.030 107.793 108.800 0.038 0.000 2.921 372 G HA2 0.682 4.642 3.960 -0.000 0.000 0.291 372 G HA3 0.682 4.642 3.960 -0.000 0.000 0.291 372 G C -0.256 174.697 174.900 0.089 0.000 1.370 372 G CA -0.838 44.291 45.100 0.048 0.000 0.847 372 G HN 0.620 nan 8.290 nan 0.000 0.532 373 I N 1.134 121.773 120.570 0.115 0.000 2.588 373 I HA 0.251 4.421 4.170 -0.000 0.000 0.283 373 I C 1.399 177.617 176.117 0.169 0.000 1.119 373 I CA -0.074 61.358 61.300 0.219 0.000 1.419 373 I CB 1.663 39.830 38.000 0.279 0.000 1.394 373 I HN 0.552 nan 8.210 nan 0.000 0.562 374 A N 5.080 128.023 122.820 0.206 0.000 2.267 374 A HA 0.656 4.976 4.320 -0.000 0.000 0.213 374 A C 0.728 178.328 177.584 0.026 0.000 1.192 374 A CA 0.538 52.646 52.037 0.118 0.000 0.851 374 A CB 0.100 19.191 19.000 0.152 0.000 0.881 374 A HN 0.837 nan 8.150 nan 0.000 0.494 375 A N -0.470 122.378 122.820 0.047 0.000 2.605 375 A HA 0.501 4.821 4.320 -0.000 0.000 0.294 375 A C -0.240 177.339 177.584 -0.008 0.000 1.062 375 A CA 0.044 52.034 52.037 -0.079 0.000 0.682 375 A CB 0.363 19.149 19.000 -0.357 0.000 1.278 375 A HN 0.086 nan 8.150 nan 0.000 0.410 376 D N 0.141 120.514 120.400 -0.044 0.000 2.234 376 D HA -0.021 4.619 4.640 -0.000 0.000 0.205 376 D C 0.730 177.001 176.300 -0.048 0.000 0.962 376 D CA 0.744 54.733 54.000 -0.018 0.000 0.855 376 D CB 0.252 41.038 40.800 -0.023 0.000 0.951 376 D HN 0.398 nan 8.370 nan 0.000 0.500 377 R N 0.311 120.757 120.500 -0.090 0.000 2.460 377 R HA 0.479 4.819 4.340 -0.000 0.000 0.303 377 R C 0.245 176.506 176.300 -0.065 0.000 0.968 377 R CA 0.547 56.583 56.100 -0.107 0.000 0.889 377 R CB 1.403 31.639 30.300 -0.107 0.000 1.123 377 R HN 0.152 nan 8.270 nan 0.000 0.455 378 G N 2.135 110.799 108.800 -0.226 0.000 2.795 378 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.664 378 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.664 378 G C -0.883 173.645 174.900 -0.620 0.000 1.381 378 G CA -0.359 44.507 45.100 -0.390 0.000 0.853 378 G HN 0.647 nan 8.290 nan 0.000 0.545 379 Y N -0.142 119.867 120.300 -0.485 0.000 2.903 379 Y HA 0.502 5.052 4.550 -0.000 0.000 0.387 379 Y C 0.749 176.359 175.900 -0.483 0.000 1.189 379 Y CA -0.681 56.890 58.100 -0.883 0.000 1.856 379 Y CB -0.181 37.865 38.460 -0.690 0.000 1.917 379 Y HN 0.326 nan 8.280 nan 0.000 0.448 380 F N 1.557 121.439 119.950 -0.112 0.000 2.396 380 F HA 0.469 4.996 4.527 -0.000 0.000 0.343 380 F C 0.231 176.187 175.800 0.259 0.000 1.104 380 F CA -0.994 57.050 58.000 0.073 0.000 1.161 380 F CB 0.624 39.628 39.000 0.007 0.000 1.146 380 F HN 0.029 nan 8.300 nan 0.000 0.522 381 I N 2.466 123.258 120.570 0.371 0.000 2.545 381 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 381 I C -0.590 175.655 176.117 0.213 0.000 1.040 381 I CA -1.043 60.440 61.300 0.304 0.000 1.068 381 I CB 2.030 40.189 38.000 0.264 0.000 1.251 381 I HN 0.504 nan 8.210 nan 0.000 0.424 382 Q N 5.685 125.583 119.800 0.162 0.000 2.337 382 Q HA 0.183 4.523 4.340 -0.000 0.000 0.270 382 Q C -2.315 173.752 176.000 0.112 0.000 1.002 382 Q CA -1.579 54.289 55.803 0.108 0.000 0.888 382 Q CB 0.079 28.856 28.738 0.066 0.000 1.222 382 Q HN 0.240 nan 8.270 nan 0.000 0.400 383 P HA -0.041 nan 4.420 nan 0.000 0.260 383 P C -1.105 176.280 177.300 0.142 0.000 1.207 383 P CA 0.575 63.742 63.100 0.112 0.000 0.780 383 P CB 0.482 32.060 31.700 -0.204 0.000 0.789 384 T N 2.882 117.584 114.554 0.246 0.000 2.859 384 T HA 0.513 4.863 4.350 -0.000 0.000 0.281 384 T C -0.260 174.507 174.700 0.112 0.000 1.005 384 T CA -0.470 61.682 62.100 0.086 0.000 1.025 384 T CB 1.111 69.999 68.868 0.035 0.000 0.977 384 T HN -0.054 nan 8.240 nan 0.000 0.458 385 V N 3.241 123.120 119.914 -0.058 0.000 2.623 385 V HA 0.505 4.625 4.120 -0.000 0.000 0.304 385 V C -1.168 174.822 176.094 -0.173 0.000 1.054 385 V CA -0.911 61.387 62.300 -0.004 0.000 0.882 385 V CB 1.470 33.332 31.823 0.064 0.000 1.002 385 V HN 0.831 nan 8.190 nan 0.000 0.424 386 F N 2.289 122.274 119.950 0.060 0.000 2.443 386 F HA 0.784 5.311 4.527 -0.000 0.000 0.335 386 F C 0.925 176.767 175.800 0.070 0.000 1.104 386 F CA -0.200 57.833 58.000 0.056 0.000 1.013 386 F CB 2.092 41.116 39.000 0.040 0.000 1.136 386 F HN 0.593 nan 8.300 nan 0.000 0.470 387 G N 0.591 109.556 108.800 0.276 0.000 2.509 387 G HA2 0.351 4.311 3.960 -0.000 0.000 0.328 387 G HA3 0.351 4.311 3.960 -0.000 0.000 0.328 387 G C -0.592 174.460 174.900 0.252 0.000 1.194 387 G CA -0.685 44.569 45.100 0.256 0.000 0.967 387 G HN 0.718 nan 8.290 nan 0.000 0.488 388 D N -1.016 119.551 120.400 0.280 0.000 2.701 388 D HA -0.166 4.474 4.640 -0.000 0.000 0.235 388 D C 0.724 177.077 176.300 0.087 0.000 1.155 388 D CA 0.674 54.756 54.000 0.137 0.000 0.649 388 D CB -1.194 39.666 40.800 0.099 0.000 1.050 388 D HN 0.191 nan 8.370 nan 0.000 0.425 389 V N 0.580 120.545 119.914 0.084 0.000 2.811 389 V HA 0.034 4.154 4.120 -0.000 0.000 0.302 389 V C 0.896 176.987 176.094 -0.004 0.000 1.063 389 V CA 0.191 62.503 62.300 0.021 0.000 1.088 389 V CB 1.629 33.446 31.823 -0.011 0.000 0.982 389 V HN 0.067 nan 8.190 nan 0.000 0.485 390 Q N 1.596 121.391 119.800 -0.009 0.000 2.348 390 Q HA 0.333 4.673 4.340 -0.000 0.000 0.271 390 Q C 0.373 176.380 176.000 0.012 0.000 1.067 390 Q CA -0.776 55.033 55.803 0.009 0.000 0.839 390 Q CB 1.630 30.377 28.738 0.014 0.000 1.354 390 Q HN 0.675 nan 8.270 nan 0.000 0.447 391 D N 1.275 121.703 120.400 0.047 0.000 2.158 391 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 391 D C 1.549 177.875 176.300 0.044 0.000 0.995 391 D CA 1.791 55.831 54.000 0.067 0.000 0.846 391 D CB -0.091 40.770 40.800 0.101 0.000 0.941 391 D HN 0.837 nan 8.370 nan 0.000 0.456 392 G N -0.103 108.717 108.800 0.032 0.000 2.534 392 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.217 392 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.217 392 G C 0.834 175.741 174.900 0.013 0.000 1.128 392 G CA -0.104 45.010 45.100 0.023 0.000 0.784 392 G HN 0.172 nan 8.290 nan 0.000 0.542 393 M N 0.677 120.278 119.600 0.000 0.000 2.250 393 M HA 0.085 4.565 4.480 -0.000 0.000 0.325 393 M C 1.810 178.105 176.300 -0.008 0.000 1.084 393 M CA 0.075 55.364 55.300 -0.018 0.000 1.161 393 M CB 0.756 33.325 32.600 -0.051 0.000 1.481 393 M HN -0.053 nan 8.290 nan 0.000 0.449 394 T N 2.225 116.780 114.554 0.001 0.000 2.777 394 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 394 T C 1.548 176.265 174.700 0.029 0.000 1.040 394 T CA 1.548 63.676 62.100 0.046 0.000 1.141 394 T CB -0.393 68.529 68.868 0.089 0.000 0.868 394 T HN 0.767 nan 8.240 nan 0.000 0.444 395 I N -0.286 120.259 120.570 -0.041 0.000 3.083 395 I HA 0.178 4.348 4.170 -0.000 0.000 0.273 395 I C 2.050 178.097 176.117 -0.117 0.000 1.297 395 I CA 0.793 62.020 61.300 -0.122 0.000 1.452 395 I CB -0.357 37.491 38.000 -0.255 0.000 1.078 395 I HN 0.078 nan 8.210 nan 0.000 0.484 396 A N 0.620 123.398 122.820 -0.069 0.000 2.390 396 A HA 0.273 4.593 4.320 -0.000 0.000 0.232 396 A C 1.999 179.591 177.584 0.013 0.000 1.233 396 A CA -0.116 51.895 52.037 -0.042 0.000 0.907 396 A CB 0.006 18.983 19.000 -0.040 0.000 0.967 396 A HN 0.404 nan 8.150 nan 0.000 0.512 397 K N -0.366 120.049 120.400 0.025 0.000 2.443 397 K HA 0.163 4.483 4.320 -0.000 0.000 0.200 397 K C -0.233 176.435 176.600 0.113 0.000 1.278 397 K CA 0.224 56.557 56.287 0.076 0.000 0.925 397 K CB 0.747 33.287 32.500 0.067 0.000 1.225 397 K HN 0.408 nan 8.250 nan 0.000 0.514 398 E N 1.972 122.209 120.200 0.060 0.000 2.231 398 E HA 0.097 4.447 4.350 -0.000 0.000 0.277 398 E C -0.956 175.568 176.600 -0.127 0.000 0.999 398 E CA -0.315 56.120 56.400 0.060 0.000 0.827 398 E CB 1.772 31.565 29.700 0.156 0.000 1.101 398 E HN 0.065 nan 8.360 nan 0.000 0.393 399 E N 3.390 123.550 120.200 -0.067 0.000 2.220 399 E HA -0.006 4.344 4.350 -0.000 0.000 0.272 399 E C 0.397 176.857 176.600 -0.233 0.000 1.099 399 E CA -0.045 56.272 56.400 -0.139 0.000 0.907 399 E CB 0.383 30.002 29.700 -0.135 0.000 1.022 399 E HN 0.542 nan 8.360 nan 0.000 0.428 400 I N 4.404 124.789 120.570 -0.308 0.000 2.333 400 I HA -0.123 4.047 4.170 -0.000 0.000 0.246 400 I C 0.622 176.812 176.117 0.122 0.000 1.106 400 I CA 0.215 61.316 61.300 -0.332 0.000 1.411 400 I CB -0.012 37.810 38.000 -0.296 0.000 1.082 400 I HN 0.670 nan 8.210 nan 0.000 0.420 401 F N 1.542 121.448 119.950 -0.074 0.000 3.080 401 F HA -0.161 4.366 4.527 -0.000 0.000 0.292 401 F C 0.391 176.219 175.800 0.046 0.000 0.891 401 F CA 0.623 58.631 58.000 0.013 0.000 1.086 401 F CB -1.384 37.676 39.000 0.100 0.000 1.095 401 F HN 0.161 nan 8.300 nan 0.000 0.633 402 G N -0.519 108.315 108.800 0.057 0.000 2.708 402 G HA2 0.630 4.590 3.960 -0.000 0.000 0.289 402 G HA3 0.630 4.590 3.960 -0.000 0.000 0.289 402 G C -2.938 171.942 174.900 -0.034 0.000 1.416 402 G CA -0.795 44.328 45.100 0.037 0.000 0.829 402 G HN -0.141 nan 8.290 nan 0.000 0.480 403 P HA 0.208 nan 4.420 nan 0.000 0.232 403 P C -0.537 176.806 177.300 0.072 0.000 1.738 403 P CA 0.057 63.200 63.100 0.073 0.000 0.948 403 P CB 0.039 31.917 31.700 0.297 0.000 1.943 404 V N 3.020 122.882 119.914 -0.086 0.000 2.409 404 V HA 0.342 4.462 4.120 -0.000 0.000 0.290 404 V C 0.263 176.303 176.094 -0.090 0.000 1.017 404 V CA -0.670 61.644 62.300 0.023 0.000 0.841 404 V CB 1.952 33.855 31.823 0.133 0.000 1.003 404 V HN 0.289 nan 8.190 nan 0.000 0.426 405 M N 4.126 123.686 119.600 -0.066 0.000 2.209 405 M HA 0.595 5.075 4.480 -0.000 0.000 0.355 405 M C -0.805 175.547 176.300 0.088 0.000 1.171 405 M CA -0.310 54.937 55.300 -0.089 0.000 1.069 405 M CB 1.452 34.000 32.600 -0.087 0.000 1.622 405 M HN 0.631 nan 8.290 nan 0.000 0.459 406 Q N 5.024 124.842 119.800 0.030 0.000 2.333 406 Q HA 0.578 4.918 4.340 -0.000 0.000 0.265 406 Q C -1.282 174.732 176.000 0.022 0.000 0.989 406 Q CA 0.034 55.871 55.803 0.056 0.000 0.842 406 Q CB 1.878 30.597 28.738 -0.033 0.000 1.262 406 Q HN 0.713 nan 8.270 nan 0.000 0.451 407 I N 4.215 124.839 120.570 0.091 0.000 2.355 407 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 407 I C -0.936 175.259 176.117 0.131 0.000 0.999 407 I CA -0.800 60.565 61.300 0.108 0.000 1.163 407 I CB 0.832 38.941 38.000 0.181 0.000 1.316 407 I HN 0.339 nan 8.210 nan 0.000 0.454 408 L N 6.604 127.824 121.223 -0.004 0.000 2.334 408 L HA 0.547 4.887 4.340 -0.000 0.000 0.270 408 L C -0.059 176.917 176.870 0.176 0.000 1.018 408 L CA -0.475 54.352 54.840 -0.023 0.000 0.811 408 L CB 1.242 43.069 42.059 -0.386 0.000 1.271 408 L HN 0.453 nan 8.230 nan 0.000 0.443 409 K N 1.444 121.913 120.400 0.114 0.000 2.203 409 K HA 0.718 5.038 4.320 -0.000 0.000 0.251 409 K C -1.521 175.221 176.600 0.237 0.000 0.944 409 K CA -0.513 55.812 56.287 0.064 0.000 0.829 409 K CB 1.544 33.799 32.500 -0.408 0.000 1.125 409 K HN 0.519 nan 8.250 nan 0.000 0.430 410 F N 0.654 120.670 119.950 0.110 0.000 2.662 410 F HA 0.459 4.986 4.527 -0.000 0.000 0.312 410 F C 0.161 176.002 175.800 0.069 0.000 1.113 410 F CA -0.924 57.142 58.000 0.111 0.000 0.951 410 F CB 1.571 40.674 39.000 0.172 0.000 1.344 410 F HN 0.538 nan 8.300 nan 0.000 0.462 411 K N -0.063 120.418 120.400 0.135 0.000 2.273 411 K HA 0.234 4.554 4.320 -0.000 0.000 0.206 411 K C 0.149 176.835 176.600 0.144 0.000 1.072 411 K CA 1.029 57.325 56.287 0.016 0.000 0.953 411 K CB 0.309 32.831 32.500 0.037 0.000 1.043 411 K HN 0.903 nan 8.250 nan 0.000 0.477 412 T N -1.958 112.765 114.554 0.283 0.000 2.940 412 T HA 0.276 4.626 4.350 -0.000 0.000 0.288 412 T C 1.094 175.975 174.700 0.301 0.000 1.033 412 T CA -0.848 61.397 62.100 0.242 0.000 1.033 412 T CB 1.540 70.484 68.868 0.126 0.000 1.079 412 T HN 0.180 nan 8.240 nan 0.000 0.496 413 I N 0.387 121.081 120.570 0.208 0.000 2.394 413 I HA -0.090 4.080 4.170 -0.000 0.000 0.251 413 I C 2.065 178.260 176.117 0.131 0.000 1.136 413 I CA 1.452 62.844 61.300 0.153 0.000 1.425 413 I CB -0.022 38.059 38.000 0.135 0.000 1.079 413 I HN 0.748 nan 8.210 nan 0.000 0.425 414 E N 0.623 120.897 120.200 0.123 0.000 2.106 414 E HA -0.269 4.081 4.350 -0.000 0.000 0.192 414 E C 1.946 178.576 176.600 0.050 0.000 0.984 414 E CA 1.256 57.730 56.400 0.125 0.000 0.806 414 E CB -0.230 29.525 29.700 0.092 0.000 0.750 414 E HN 0.546 nan 8.360 nan 0.000 0.458 415 E N 0.520 120.750 120.200 0.050 0.000 2.031 415 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 415 E C 2.098 178.646 176.600 -0.086 0.000 0.994 415 E CA 1.158 57.574 56.400 0.026 0.000 0.800 415 E CB -0.077 29.687 29.700 0.107 0.000 0.752 415 E HN 0.160 nan 8.360 nan 0.000 0.447 416 V N 0.596 120.383 119.914 -0.212 0.000 2.469 416 V HA -0.208 3.912 4.120 -0.000 0.000 0.251 416 V C 2.363 178.168 176.094 -0.481 0.000 1.064 416 V CA 1.418 63.378 62.300 -0.566 0.000 1.066 416 V CB -0.024 31.090 31.823 -1.183 0.000 0.667 416 V HN 0.224 nan 8.190 nan 0.000 0.461 417 V N 0.521 120.272 119.914 -0.272 0.000 2.295 417 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 417 V C 2.651 178.629 176.094 -0.192 0.000 1.049 417 V CA 2.237 64.403 62.300 -0.223 0.000 1.024 417 V CB -1.404 30.331 31.823 -0.147 0.000 0.648 417 V HN 0.627 nan 8.190 nan 0.000 0.447 418 G N -0.426 108.293 108.800 -0.135 0.000 2.418 418 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 418 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 418 G C 1.756 176.597 174.900 -0.098 0.000 1.158 418 G CA 0.665 45.711 45.100 -0.089 0.000 0.771 418 G HN 0.444 nan 8.290 nan 0.000 0.545 419 R N 0.467 120.878 120.500 -0.148 0.000 2.066 419 R HA 0.110 4.450 4.340 -0.000 0.000 0.232 419 R C 3.052 179.252 176.300 -0.168 0.000 1.131 419 R CA 1.053 57.086 56.100 -0.111 0.000 0.955 419 R CB -0.408 29.844 30.300 -0.080 0.000 0.851 419 R HN 0.324 nan 8.270 nan 0.000 0.432 420 A N 1.728 124.293 122.820 -0.425 0.000 1.908 420 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 420 A C 1.736 179.257 177.584 -0.106 0.000 1.181 420 A CA 1.628 53.469 52.037 -0.326 0.000 0.627 420 A CB -0.446 18.303 19.000 -0.418 0.000 0.818 420 A HN 0.238 nan 8.150 nan 0.000 0.445 421 N N 0.126 118.758 118.700 -0.114 0.000 2.331 421 N HA -0.085 4.655 4.740 -0.000 0.000 0.180 421 N C 0.466 175.967 175.510 -0.015 0.000 1.019 421 N CA 0.604 53.620 53.050 -0.056 0.000 0.881 421 N CB -0.599 37.846 38.487 -0.069 0.000 0.972 421 N HN 0.504 nan 8.380 nan 0.000 0.435 422 N N 0.981 119.675 118.700 -0.009 0.000 2.605 422 N HA 0.031 4.771 4.740 -0.000 0.000 0.282 422 N C -1.271 174.264 175.510 0.042 0.000 1.206 422 N CA 0.077 53.136 53.050 0.014 0.000 1.074 422 N CB -0.118 38.381 38.487 0.020 0.000 1.434 422 N HN -0.064 nan 8.380 nan 0.000 0.506 423 S N 0.630 116.351 115.700 0.035 0.000 2.567 423 S HA 0.293 4.763 4.470 -0.000 0.000 0.270 423 S C 0.608 175.206 174.600 -0.004 0.000 1.152 423 S CA -0.638 57.593 58.200 0.050 0.000 0.835 423 S CB 0.458 63.733 63.200 0.125 0.000 1.115 423 S HN 0.337 nan 8.310 nan 0.000 0.459 424 T N 1.902 116.398 114.554 -0.095 0.000 3.067 424 T HA 0.182 4.532 4.350 -0.000 0.000 0.261 424 T C 0.100 174.648 174.700 -0.253 0.000 1.110 424 T CA 1.073 63.035 62.100 -0.229 0.000 1.113 424 T CB -0.364 68.264 68.868 -0.399 0.000 0.917 424 T HN 0.544 nan 8.240 nan 0.000 0.499 425 Y N 0.095 120.411 120.300 0.027 0.000 2.432 425 Y HA 0.582 5.132 4.550 -0.000 0.000 0.322 425 Y C 1.211 177.122 175.900 0.018 0.000 1.246 425 Y CA -0.955 57.161 58.100 0.027 0.000 1.268 425 Y CB 1.502 39.984 38.460 0.037 0.000 1.276 425 Y HN -0.001 nan 8.280 nan 0.000 0.499 426 G N 1.017 109.935 108.800 0.197 0.000 5.569 426 G HA2 0.094 4.054 3.960 -0.000 0.000 0.192 426 G HA3 0.094 4.054 3.960 -0.000 0.000 0.192 426 G C -0.114 174.746 174.900 -0.066 0.000 0.708 426 G CA -0.243 44.885 45.100 0.046 0.000 0.628 426 G HN 0.556 nan 8.290 nan 0.000 0.345 427 L N 0.601 121.806 121.223 -0.030 0.000 2.068 427 L HA 0.733 5.073 4.340 -0.000 0.000 0.204 427 L C 1.140 177.897 176.870 -0.188 0.000 1.076 427 L CA 2.235 57.003 54.840 -0.120 0.000 0.753 427 L CB -0.009 42.027 42.059 -0.037 0.000 0.910 427 L HN 0.433 nan 8.230 nan 0.000 0.439 428 A N -2.091 120.668 122.820 -0.101 0.000 2.588 428 A HA 0.904 5.224 4.320 -0.000 0.000 0.290 428 A C -1.434 176.100 177.584 -0.083 0.000 1.136 428 A CA -0.105 51.822 52.037 -0.183 0.000 0.681 428 A CB 0.943 19.876 19.000 -0.111 0.000 1.282 428 A HN 0.522 nan 8.150 nan 0.000 0.421 429 A N -1.260 121.487 122.820 -0.122 0.000 2.586 429 A HA 0.975 5.295 4.320 -0.000 0.000 0.291 429 A C -0.723 176.927 177.584 0.111 0.000 1.062 429 A CA 0.131 52.196 52.037 0.046 0.000 0.666 429 A CB 0.512 19.481 19.000 -0.052 0.000 1.281 429 A HN 2.679 nan 8.150 nan 0.000 0.421 430 A N -0.224 122.767 122.820 0.285 0.000 2.572 430 A HA 0.828 5.148 4.320 -0.000 0.000 0.295 430 A C -1.475 176.282 177.584 0.288 0.000 1.072 430 A CA -0.498 51.754 52.037 0.358 0.000 0.691 430 A CB 1.590 21.034 19.000 0.738 0.000 1.291 430 A HN 1.829 nan 8.150 nan 0.000 0.404 431 V N 0.815 120.825 119.914 0.159 0.000 2.760 431 V HA 0.589 4.709 4.120 -0.000 0.000 0.309 431 V C -1.606 174.461 176.094 -0.046 0.000 1.077 431 V CA -0.291 62.088 62.300 0.132 0.000 0.910 431 V CB 1.685 33.537 31.823 0.049 0.000 1.008 431 V HN 0.729 nan 8.190 nan 0.000 0.424 432 F N 2.587 122.640 119.950 0.170 0.000 2.445 432 F HA 0.775 5.302 4.527 0.000 0.000 0.348 432 F C 0.283 176.184 175.800 0.169 0.000 1.125 432 F CA -0.174 57.941 58.000 0.191 0.000 0.983 432 F CB 2.089 41.207 39.000 0.197 0.000 1.198 432 F HN 0.534 nan 8.300 nan 0.000 0.436 433 T N 1.987 116.655 114.554 0.189 0.000 2.775 433 T HA 0.281 4.631 4.350 -0.000 0.000 0.320 433 T C 0.007 174.776 174.700 0.115 0.000 1.597 433 T CA -0.650 61.547 62.100 0.162 0.000 1.022 433 T CB 1.577 70.524 68.868 0.132 0.000 1.485 433 T HN 0.640 nan 8.240 nan 0.000 0.494 434 K N 0.457 120.919 120.400 0.103 0.000 2.354 434 K HA 0.183 4.503 4.320 -0.000 0.000 0.194 434 K C -0.283 176.349 176.600 0.053 0.000 1.038 434 K CA -0.083 56.248 56.287 0.072 0.000 1.052 434 K CB 0.298 32.841 32.500 0.072 0.000 0.861 434 K HN 0.501 nan 8.250 nan 0.000 0.535 435 D N 1.138 121.573 120.400 0.059 0.000 2.317 435 D HA 0.013 4.653 4.640 -0.000 0.000 0.252 435 D C 0.888 177.213 176.300 0.042 0.000 1.174 435 D CA -0.219 53.809 54.000 0.047 0.000 0.866 435 D CB 1.068 41.898 40.800 0.049 0.000 1.127 435 D HN -0.157 nan 8.370 nan 0.000 0.467 436 L N 4.184 125.426 121.223 0.032 0.000 1.989 436 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 436 L C 1.304 178.197 176.870 0.039 0.000 1.071 436 L CA 1.973 56.831 54.840 0.029 0.000 0.749 436 L CB -0.430 41.642 42.059 0.022 0.000 0.890 436 L HN 0.502 nan 8.230 nan 0.000 0.431 437 D N -0.394 120.027 120.400 0.036 0.000 2.149 437 D HA -0.183 4.457 4.640 -0.000 0.000 0.198 437 D C 2.203 178.549 176.300 0.076 0.000 0.990 437 D CA 1.363 55.389 54.000 0.044 0.000 0.839 437 D CB -0.067 40.742 40.800 0.015 0.000 0.948 437 D HN 0.420 nan 8.370 nan 0.000 0.460 438 K N 0.448 120.889 120.400 0.068 0.000 2.057 438 K HA 0.003 4.323 4.320 -0.000 0.000 0.206 438 K C 2.149 178.831 176.600 0.137 0.000 1.050 438 K CA 1.069 57.421 56.287 0.108 0.000 0.935 438 K CB -0.076 32.478 32.500 0.090 0.000 0.715 438 K HN 0.023 nan 8.250 nan 0.000 0.439 439 A N 2.022 124.893 122.820 0.086 0.000 1.902 439 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 439 A C 1.804 179.417 177.584 0.047 0.000 1.181 439 A CA 1.721 53.791 52.037 0.055 0.000 0.623 439 A CB -0.449 18.569 19.000 0.030 0.000 0.818 439 A HN 0.221 nan 8.150 nan 0.000 0.443 440 N N -1.662 117.075 118.700 0.062 0.000 2.216 440 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 440 N C 1.556 177.107 175.510 0.068 0.000 1.017 440 N CA 1.477 54.556 53.050 0.048 0.000 0.861 440 N CB -0.599 37.918 38.487 0.050 0.000 0.986 440 N HN 0.661 nan 8.380 nan 0.000 0.428 441 Y N 1.601 121.894 120.300 -0.013 0.000 2.145 441 Y HA -0.073 4.477 4.550 -0.000 0.000 0.286 441 Y C 2.121 178.003 175.900 -0.030 0.000 1.145 441 Y CA 1.420 59.510 58.100 -0.016 0.000 1.148 441 Y CB -0.421 38.034 38.460 -0.009 0.000 0.981 441 Y HN -0.040 nan 8.280 nan 0.000 0.507 442 L N -0.328 120.882 121.223 -0.020 0.000 2.072 442 L HA -0.184 4.156 4.340 -0.000 0.000 0.205 442 L C 2.749 179.532 176.870 -0.146 0.000 1.079 442 L CA 1.509 56.274 54.840 -0.125 0.000 0.752 442 L CB -0.778 41.277 42.059 -0.006 0.000 0.906 442 L HN 0.384 nan 8.230 nan 0.000 0.436 443 S N -1.037 114.607 115.700 -0.093 0.000 2.419 443 S HA -0.277 4.193 4.470 -0.000 0.000 0.233 443 S C 1.859 176.382 174.600 -0.129 0.000 1.016 443 S CA 1.313 59.447 58.200 -0.110 0.000 0.974 443 S CB -0.277 62.873 63.200 -0.083 0.000 0.786 443 S HN 0.512 nan 8.310 nan 0.000 0.492 444 Q N 0.922 120.642 119.800 -0.133 0.000 2.123 444 Q HA 0.170 4.510 4.340 -0.000 0.000 0.196 444 Q C 2.277 178.176 176.000 -0.169 0.000 0.958 444 Q CA 0.906 56.632 55.803 -0.128 0.000 0.841 444 Q CB -0.451 28.223 28.738 -0.107 0.000 0.915 444 Q HN 0.676 nan 8.270 nan 0.000 0.455 445 A N 0.971 123.627 122.820 -0.273 0.000 1.930 445 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 445 A C 1.017 178.480 177.584 -0.203 0.000 1.175 445 A CA 0.329 52.190 52.037 -0.293 0.000 0.627 445 A CB -0.531 18.160 19.000 -0.515 0.000 0.815 445 A HN 0.384 nan 8.150 nan 0.000 0.443 446 L N 0.799 121.903 121.223 -0.198 0.000 2.513 446 L HA 0.025 4.365 4.340 -0.000 0.000 0.272 446 L C 0.093 176.865 176.870 -0.164 0.000 1.187 446 L CA -0.056 54.679 54.840 -0.175 0.000 0.895 446 L CB 0.343 42.295 42.059 -0.178 0.000 1.147 446 L HN 0.416 nan 8.230 nan 0.000 0.483 447 Q N 3.571 123.296 119.800 -0.125 0.000 2.835 447 Q HA 0.503 4.843 4.340 -0.000 0.000 0.235 447 Q C -0.407 175.403 176.000 -0.317 0.000 1.313 447 Q CA -0.246 55.520 55.803 -0.062 0.000 1.053 447 Q CB 0.885 29.676 28.738 0.089 0.000 1.443 447 Q HN 0.690 nan 8.270 nan 0.000 0.576 448 A N -0.256 122.139 122.820 -0.708 0.000 2.515 448 A HA 0.682 5.002 4.320 -0.000 0.000 0.298 448 A C 0.909 177.785 177.584 -1.180 0.000 1.059 448 A CA -0.481 51.076 52.037 -0.800 0.000 0.698 448 A CB 1.249 19.994 19.000 -0.425 0.000 1.289 448 A HN 0.558 nan 8.150 nan 0.000 0.404 449 G N 0.118 108.355 108.800 -0.939 0.000 2.443 449 G HA2 0.280 4.240 3.960 -0.000 0.000 0.219 449 G HA3 0.280 4.240 3.960 -0.000 0.000 0.219 449 G C 0.466 175.078 174.900 -0.479 0.000 1.131 449 G CA 1.630 46.358 45.100 -0.621 0.000 0.775 449 G HN 0.849 nan 8.290 nan 0.000 0.547 450 T N -0.308 113.928 114.554 -0.530 0.000 2.928 450 T HA 0.505 4.855 4.350 -0.000 0.000 0.296 450 T C -1.175 173.081 174.700 -0.741 0.000 1.000 450 T CA -0.431 61.291 62.100 -0.629 0.000 0.989 450 T CB 2.744 71.184 68.868 -0.714 0.000 1.005 450 T HN -0.103 nan 8.240 nan 0.000 0.442 451 V N 3.628 123.158 119.914 -0.639 0.000 2.444 451 V HA 0.469 4.589 4.120 -0.000 0.000 0.294 451 V C -0.851 174.978 176.094 -0.441 0.000 1.022 451 V CA -0.942 61.078 62.300 -0.466 0.000 0.850 451 V CB 1.547 33.203 31.823 -0.279 0.000 0.992 451 V HN 0.771 nan 8.190 nan 0.000 0.426 452 W N 3.784 124.969 121.300 -0.191 0.000 2.390 452 W HA 0.619 5.279 4.660 0.000 0.000 0.312 452 W C -0.578 175.836 176.519 -0.175 0.000 1.123 452 W CA -0.754 56.473 57.345 -0.196 0.000 1.202 452 W CB 1.901 31.203 29.460 -0.264 0.000 1.251 452 W HN 0.262 nan 8.180 nan 0.000 0.511 453 V N 5.246 125.187 119.914 0.045 0.000 2.357 453 V HA 0.135 4.255 4.120 -0.000 0.000 0.284 453 V C 0.161 176.139 176.094 -0.194 0.000 1.018 453 V CA -0.862 61.380 62.300 -0.097 0.000 0.841 453 V CB 0.951 32.742 31.823 -0.053 0.000 0.991 453 V HN 0.662 nan 8.190 nan 0.000 0.437 454 N N 2.150 120.487 118.700 -0.605 0.000 2.747 454 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 454 N C -0.298 175.205 175.510 -0.010 0.000 1.107 454 N CA 1.243 53.944 53.050 -0.581 0.000 0.707 454 N CB -1.188 37.269 38.487 -0.050 0.000 1.054 454 N HN 1.065 nan 8.380 nan 0.000 0.555 455 C N -4.219 115.015 119.300 -0.110 0.000 3.259 455 C HA 0.799 5.259 4.460 -0.000 0.000 0.344 455 C C -1.140 173.901 174.990 0.085 0.000 1.401 455 C CA -1.370 57.754 59.018 0.177 0.000 1.219 455 C CB 1.720 29.516 27.740 0.092 0.000 1.521 455 C HN 0.265 nan 8.230 nan 0.000 0.455 456 Y N -0.019 120.081 120.300 -0.334 0.000 2.552 456 Y HA 0.464 5.014 4.550 -0.000 0.000 0.337 456 Y C -0.264 174.960 175.900 -1.126 0.000 1.094 456 Y CA 0.373 58.035 58.100 -0.729 0.000 1.028 456 Y CB 1.359 39.732 38.460 -0.145 0.000 1.321 456 Y HN 1.025 nan 8.280 nan 0.000 0.456 457 D N 2.127 121.125 120.400 -2.338 0.000 2.751 457 D HA -0.136 4.504 4.640 -0.000 0.000 0.233 457 D C -0.929 174.843 176.300 -0.881 0.000 1.149 457 D CA 0.923 54.126 54.000 -1.328 0.000 0.682 457 D CB -0.988 39.681 40.800 -0.217 0.000 1.068 457 D HN 0.155 nan 8.370 nan 0.000 0.429 458 V N 1.489 120.705 119.914 -1.162 0.000 2.304 458 V HA 0.272 4.392 4.120 -0.000 0.000 0.262 458 V C 0.416 176.442 176.094 -0.114 0.000 1.061 458 V CA -0.294 61.792 62.300 -0.356 0.000 0.872 458 V CB -0.196 31.494 31.823 -0.220 0.000 1.077 458 V HN -0.009 nan 8.190 nan 0.000 0.480 459 F N 2.345 122.320 119.950 0.041 0.000 2.443 459 F HA 0.761 5.288 4.527 -0.000 0.000 0.335 459 F C 0.900 176.692 175.800 -0.013 0.000 1.104 459 F CA -0.495 57.513 58.000 0.014 0.000 1.013 459 F CB 1.833 40.807 39.000 -0.043 0.000 1.136 459 F HN 0.467 nan 8.300 nan 0.000 0.470 460 G N 0.479 109.349 108.800 0.117 0.000 2.452 460 G HA2 0.517 4.477 3.960 -0.000 0.000 0.324 460 G HA3 0.517 4.477 3.960 -0.000 0.000 0.324 460 G C 0.330 175.159 174.900 -0.118 0.000 1.214 460 G CA -0.509 44.591 45.100 0.000 0.000 0.947 460 G HN 0.877 nan 8.290 nan 0.000 0.478 461 A N 1.243 123.933 122.820 -0.216 0.000 2.070 461 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 461 A C 2.159 179.186 177.584 -0.928 0.000 1.159 461 A CA 1.796 53.579 52.037 -0.423 0.000 0.656 461 A CB -0.114 18.670 19.000 -0.360 0.000 0.800 461 A HN 0.634 nan 8.150 nan 0.000 0.453 462 Q N -0.459 118.859 119.800 -0.804 0.000 2.424 462 Q HA 0.147 4.487 4.340 -0.000 0.000 0.204 462 Q C 0.061 175.990 176.000 -0.119 0.000 0.933 462 Q CA 0.508 55.947 55.803 -0.607 0.000 0.929 462 Q CB -0.352 28.226 28.738 -0.267 0.000 1.037 462 Q HN 0.371 nan 8.270 nan 0.000 0.511 463 S N 3.828 119.474 115.700 -0.090 0.000 2.462 463 S HA 0.446 4.916 4.470 -0.000 0.000 0.294 463 S C -2.453 172.161 174.600 0.024 0.000 1.144 463 S CA -1.239 56.967 58.200 0.011 0.000 1.088 463 S CB 1.605 64.804 63.200 -0.001 0.000 1.009 463 S HN 0.154 nan 8.310 nan 0.000 0.484 464 P HA 0.216 nan 4.420 nan 0.000 0.271 464 P C -1.034 176.287 177.300 0.035 0.000 1.218 464 P CA -0.207 62.901 63.100 0.014 0.000 0.780 464 P CB 0.322 31.900 31.700 -0.202 0.000 0.901 465 F N 2.114 121.978 119.950 -0.144 0.000 2.579 465 F HA 0.661 5.188 4.527 -0.000 0.000 0.325 465 F C -0.407 175.341 175.800 -0.086 0.000 1.162 465 F CA 0.003 57.931 58.000 -0.120 0.000 0.946 465 F CB 1.647 40.593 39.000 -0.091 0.000 1.211 465 F HN 0.580 nan 8.300 nan 0.000 0.447 466 G N 2.243 110.657 108.800 -0.644 0.000 2.550 466 G HA2 0.567 4.527 3.960 -0.000 0.000 0.293 466 G HA3 0.567 4.527 3.960 -0.000 0.000 0.293 466 G C -1.538 173.112 174.900 -0.416 0.000 1.402 466 G CA -0.305 44.495 45.100 -0.499 0.000 0.784 466 G HN 0.968 nan 8.290 nan 0.000 0.482 467 G N -1.649 107.027 108.800 -0.206 0.000 2.537 467 G HA2 0.612 4.572 3.960 -0.000 0.000 0.308 467 G HA3 0.612 4.572 3.960 -0.000 0.000 0.308 467 G C -1.551 173.448 174.900 0.164 0.000 1.237 467 G CA -0.581 44.477 45.100 -0.069 0.000 0.968 467 G HN 0.369 nan 8.290 nan 0.000 0.481 468 Y N 0.485 120.727 120.300 -0.096 0.000 2.432 468 Y HA 0.452 5.002 4.550 -0.000 0.000 0.322 468 Y C 1.413 177.286 175.900 -0.044 0.000 1.246 468 Y CA -1.188 56.867 58.100 -0.075 0.000 1.268 468 Y CB 1.345 39.759 38.460 -0.076 0.000 1.276 468 Y HN 0.853 nan 8.280 nan 0.000 0.499 469 K N -0.445 119.999 120.400 0.074 0.000 1.867 469 K HA -0.320 4.000 4.320 -0.000 0.000 0.140 469 K C 0.537 177.143 176.600 0.010 0.000 1.408 469 K CA 1.794 58.092 56.287 0.019 0.000 0.461 469 K CB -1.057 31.460 32.500 0.028 0.000 0.594 469 K HN 0.629 nan 8.250 nan 0.000 0.888 470 M N 1.278 120.869 119.600 -0.015 0.000 2.654 470 M HA 0.019 4.499 4.480 -0.000 0.000 0.217 470 M C 0.492 176.837 176.300 0.074 0.000 1.183 470 M CA 0.540 55.824 55.300 -0.027 0.000 0.991 470 M CB -0.023 32.497 32.600 -0.134 0.000 1.749 470 M HN 0.326 nan 8.290 nan 0.000 0.475 471 S N -0.028 115.752 115.700 0.132 0.000 2.556 471 S HA 0.389 4.859 4.470 -0.000 0.000 0.216 471 S C 0.752 175.407 174.600 0.092 0.000 0.970 471 S CA 0.315 58.628 58.200 0.189 0.000 0.912 471 S CB 0.458 63.755 63.200 0.162 0.000 0.790 471 S HN 0.776 nan 8.310 nan 0.000 0.504 472 G N 1.317 110.155 108.800 0.064 0.000 2.408 472 G HA2 0.093 4.053 3.960 -0.000 0.000 0.682 472 G HA3 0.093 4.053 3.960 -0.000 0.000 0.682 472 G C -0.696 174.207 174.900 0.005 0.000 1.303 472 G CA -0.522 44.601 45.100 0.038 0.000 0.966 472 G HN 0.706 nan 8.290 nan 0.000 0.560 473 S N -0.939 114.757 115.700 -0.006 0.000 2.599 473 S HA 1.041 5.511 4.470 -0.000 0.000 0.294 473 S C 0.573 175.153 174.600 -0.034 0.000 1.094 473 S CA 0.429 58.611 58.200 -0.029 0.000 0.931 473 S CB 1.676 64.855 63.200 -0.035 0.000 1.093 473 S HN 3.004 nan 8.310 nan 0.000 0.488 474 G N 1.165 109.938 108.800 -0.045 0.000 2.787 474 G HA2 0.047 4.007 3.960 -0.000 0.000 0.685 474 G HA3 0.047 4.007 3.960 -0.000 0.000 0.685 474 G C -1.132 173.739 174.900 -0.048 0.000 1.437 474 G CA -0.917 44.158 45.100 -0.043 0.000 0.872 474 G HN 0.766 nan 8.290 nan 0.000 0.566 475 R N 0.375 120.859 120.500 -0.027 0.000 2.888 475 R HA 0.711 5.051 4.340 -0.000 0.000 0.266 475 R C -0.050 176.266 176.300 0.025 0.000 1.020 475 R CA -0.737 55.345 56.100 -0.030 0.000 0.963 475 R CB 1.811 32.085 30.300 -0.043 0.000 1.197 475 R HN 0.766 nan 8.270 nan 0.000 0.481 476 E N 0.970 121.186 120.200 0.027 0.000 2.359 476 E HA 0.545 4.895 4.350 -0.000 0.000 0.266 476 E C -0.578 176.037 176.600 0.025 0.000 0.920 476 E CA -0.944 55.482 56.400 0.043 0.000 0.788 476 E CB 2.207 31.919 29.700 0.019 0.000 1.279 476 E HN 0.340 nan 8.360 nan 0.000 0.438 477 L N 0.141 121.404 121.223 0.066 0.000 0.586 477 L HA -0.259 4.081 4.340 -0.000 0.000 0.356 477 L C 0.541 177.534 176.870 0.206 0.000 1.004 477 L CA 0.917 55.818 54.840 0.101 0.000 1.223 477 L CB -1.085 40.853 42.059 -0.202 0.000 0.012 477 L HN 1.014 nan 8.230 nan 0.000 0.092 478 G N 0.650 109.559 108.800 0.180 0.000 2.750 478 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.228 478 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.228 478 G C 0.362 175.405 174.900 0.239 0.000 1.367 478 G CA 0.716 45.996 45.100 0.300 0.000 0.871 478 G HN 1.117 nan 8.290 nan 0.000 0.560 479 E N -0.936 119.300 120.200 0.059 0.000 2.204 479 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 479 E C 2.078 178.406 176.600 -0.452 0.000 0.989 479 E CA 1.557 57.653 56.400 -0.507 0.000 0.824 479 E CB -0.115 29.324 29.700 -0.434 0.000 0.756 479 E HN 0.620 nan 8.360 nan 0.000 0.477 480 Y N -0.377 119.871 120.300 -0.087 0.000 2.274 480 Y HA -0.052 4.498 4.550 -0.000 0.000 0.290 480 Y C 2.464 178.327 175.900 -0.062 0.000 1.145 480 Y CA 1.032 59.099 58.100 -0.056 0.000 1.203 480 Y CB -0.589 37.865 38.460 -0.011 0.000 0.984 480 Y HN 0.132 nan 8.280 nan 0.000 0.533 481 G N -0.061 108.818 108.800 0.131 0.000 2.470 481 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 481 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 481 G C 1.497 176.428 174.900 0.052 0.000 1.121 481 G CA 0.752 45.926 45.100 0.124 0.000 0.766 481 G HN 0.382 nan 8.290 nan 0.000 0.553 482 L N -0.502 120.616 121.223 -0.175 0.000 2.270 482 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 482 L C 2.976 179.734 176.870 -0.187 0.000 1.104 482 L CA 0.501 55.135 54.840 -0.342 0.000 0.804 482 L CB -0.414 41.010 42.059 -1.059 0.000 0.937 482 L HN 0.252 nan 8.230 nan 0.000 0.450 483 Q N 0.492 120.220 119.800 -0.120 0.000 2.135 483 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 483 Q C 2.440 178.427 176.000 -0.021 0.000 0.981 483 Q CA 1.711 57.524 55.803 0.016 0.000 0.856 483 Q CB -0.298 28.462 28.738 0.038 0.000 0.902 483 Q HN 0.558 nan 8.270 nan 0.000 0.425 484 A N -0.042 122.736 122.820 -0.070 0.000 2.015 484 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 484 A C 0.950 178.313 177.584 -0.369 0.000 1.163 484 A CA 0.954 52.855 52.037 -0.227 0.000 0.646 484 A CB -0.329 18.482 19.000 -0.316 0.000 0.806 484 A HN 0.413 nan 8.150 nan 0.000 0.448 485 Y N -0.203 120.077 120.300 -0.034 0.000 2.625 485 Y HA 0.271 4.821 4.550 -0.000 0.000 0.285 485 Y C 0.277 176.191 175.900 0.025 0.000 1.168 485 Y CA 0.053 58.144 58.100 -0.015 0.000 1.250 485 Y CB 0.423 38.864 38.460 -0.032 0.000 1.130 485 Y HN 0.047 nan 8.280 nan 0.000 0.526 486 T N 0.454 115.068 114.554 0.100 0.000 2.893 486 T HA 0.363 4.713 4.350 -0.000 0.000 0.293 486 T C -0.741 173.966 174.700 0.011 0.000 1.027 486 T CA -0.937 61.224 62.100 0.102 0.000 0.988 486 T CB 1.850 70.821 68.868 0.172 0.000 1.043 486 T HN -0.060 nan 8.240 nan 0.000 0.461 487 K N 1.926 122.343 120.400 0.028 0.000 2.206 487 K HA 0.652 4.972 4.320 -0.000 0.000 0.264 487 K C -1.006 175.581 176.600 -0.022 0.000 0.967 487 K CA -0.683 55.606 56.287 0.003 0.000 0.844 487 K CB 1.655 34.185 32.500 0.050 0.000 1.099 487 K HN 0.283 nan 8.250 nan 0.000 0.441 488 V N 4.415 124.296 119.914 -0.055 0.000 2.364 488 V HA 0.218 4.338 4.120 -0.000 0.000 0.272 488 V C -0.064 176.028 176.094 -0.002 0.000 1.036 488 V CA -0.563 61.714 62.300 -0.037 0.000 0.880 488 V CB 1.011 32.783 31.823 -0.085 0.000 0.991 488 V HN 0.626 nan 8.190 nan 0.000 0.460 489 K N 3.332 123.747 120.400 0.026 0.000 2.206 489 K HA 0.563 4.883 4.320 -0.000 0.000 0.264 489 K C -0.596 175.966 176.600 -0.064 0.000 0.967 489 K CA -0.357 55.920 56.287 -0.016 0.000 0.844 489 K CB 1.422 33.921 32.500 -0.002 0.000 1.099 489 K HN 0.664 nan 8.250 nan 0.000 0.441 490 T N 2.951 117.431 114.554 -0.124 0.000 2.771 490 T HA 0.323 4.673 4.350 -0.000 0.000 0.281 490 T C -0.903 173.599 174.700 -0.329 0.000 0.982 490 T CA -0.599 61.371 62.100 -0.215 0.000 0.978 490 T CB 1.294 70.061 68.868 -0.168 0.000 0.930 490 T HN 0.289 nan 8.240 nan 0.000 0.447 491 V N 3.954 123.497 119.914 -0.619 0.000 2.378 491 V HA 0.464 4.584 4.120 -0.000 0.000 0.288 491 V C 0.091 175.771 176.094 -0.691 0.000 1.016 491 V CA -0.708 61.173 62.300 -0.698 0.000 0.840 491 V CB 1.700 32.932 31.823 -0.985 0.000 0.994 491 V HN 0.951 nan 8.190 nan 0.000 0.431 492 T N 4.729 119.063 114.554 -0.366 0.000 2.809 492 T HA 0.537 4.887 4.350 -0.000 0.000 0.296 492 T C -0.296 174.369 174.700 -0.059 0.000 1.015 492 T CA -0.320 61.639 62.100 -0.235 0.000 0.954 492 T CB 1.370 70.095 68.868 -0.238 0.000 0.950 492 T HN 0.335 nan 8.240 nan 0.000 0.450 493 V N 3.971 123.926 119.914 0.068 0.000 2.483 493 V HA 0.438 4.558 4.120 -0.000 0.000 0.295 493 V C 0.457 176.755 176.094 0.340 0.000 1.035 493 V CA -1.094 61.327 62.300 0.202 0.000 0.896 493 V CB 1.721 33.697 31.823 0.256 0.000 0.986 493 V HN 0.713 nan 8.190 nan 0.000 0.447 494 K N 3.752 124.328 120.400 0.292 0.000 2.322 494 K HA 0.496 4.816 4.320 -0.000 0.000 0.283 494 K C -0.555 176.073 176.600 0.046 0.000 1.042 494 K CA -0.258 56.117 56.287 0.146 0.000 0.958 494 K CB 1.097 33.664 32.500 0.111 0.000 0.984 494 K HN 0.669 nan 8.250 nan 0.000 0.473 495 V N 2.037 121.915 119.914 -0.060 0.000 2.960 495 V HA 0.407 4.527 4.120 -0.000 0.000 0.315 495 V C -2.127 173.918 176.094 -0.082 0.000 1.087 495 V CA -1.966 60.319 62.300 -0.026 0.000 0.982 495 V CB 1.311 33.145 31.823 0.019 0.000 1.039 495 V HN 0.675 nan 8.190 nan 0.000 0.437 496 P HA -0.102 nan 4.420 nan 0.000 0.214 496 P C 0.058 177.316 177.300 -0.070 0.000 1.163 496 P CA 1.426 64.493 63.100 -0.055 0.000 0.889 496 P CB 0.130 31.807 31.700 -0.037 0.000 0.790 497 Q N -1.303 118.459 119.800 -0.063 0.000 2.331 497 Q HA 0.166 4.506 4.340 -0.000 0.000 0.249 497 Q C -1.095 174.875 176.000 -0.050 0.000 0.913 497 Q CA -0.685 55.082 55.803 -0.061 0.000 0.874 497 Q CB 1.133 29.844 28.738 -0.046 0.000 1.384 497 Q HN -0.155 nan 8.270 nan 0.000 0.427 498 K N 3.567 123.937 120.400 -0.050 0.000 2.298 498 K HA 0.284 4.604 4.320 -0.000 0.000 0.280 498 K C -0.953 175.637 176.600 -0.016 0.000 1.032 498 K CA 0.106 56.379 56.287 -0.023 0.000 0.958 498 K CB 0.652 33.150 32.500 -0.004 0.000 0.978 498 K HN 0.618 nan 8.250 nan 0.000 0.472 499 N N 1.321 120.012 118.700 -0.014 0.000 2.242 499 N HA 0.113 4.853 4.740 -0.000 0.000 0.292 499 N C -0.850 174.657 175.510 -0.006 0.000 1.125 499 N CA -0.531 52.512 53.050 -0.012 0.000 0.783 499 N CB 2.031 40.506 38.487 -0.021 0.000 1.558 499 N HN 0.738 nan 8.380 nan 0.000 0.472 500 S N 0.000 115.699 115.700 -0.001 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.202 58.200 0.003 0.000 1.107 500 S CB 0.000 63.203 63.200 0.006 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517