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 3inj_1_C 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 EVKTVTVKVP 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 0.000 177.569 177.584 -0.025 0.000 1.274 7 A CA 0.000 52.053 52.037 0.026 0.000 0.836 7 A CB 0.000 19.020 19.000 0.033 0.000 0.831 8 V N 3.182 123.032 119.914 -0.108 0.000 2.482 8 V HA 0.511 4.631 4.120 0.001 0.000 0.295 8 V C -2.264 173.704 176.094 -0.210 0.000 1.026 8 V CA -1.237 60.868 62.300 -0.324 0.000 0.856 8 V CB 1.440 33.120 31.823 -0.239 0.000 1.001 8 V HN 0.878 nan 8.190 nan 0.000 0.424 9 P HA 0.278 nan 4.420 nan 0.000 0.267 9 P C -0.065 177.244 177.300 0.016 0.000 1.200 9 P CA -0.036 63.018 63.100 -0.077 0.000 0.772 9 P CB 0.515 32.191 31.700 -0.039 0.000 0.855 10 A N 4.089 126.904 122.820 -0.008 0.000 2.520 10 A HA 0.363 4.683 4.320 0.001 0.000 0.245 10 A C -1.920 175.579 177.584 -0.142 0.000 1.072 10 A CA -0.625 51.382 52.037 -0.050 0.000 0.761 10 A CB -1.161 17.805 19.000 -0.057 0.000 1.004 10 A HN 0.408 nan 8.150 nan 0.000 0.499 11 P HA 0.232 nan 4.420 nan 0.000 0.286 11 P C -0.719 176.313 177.300 -0.447 0.000 1.261 11 P CA -0.830 61.907 63.100 -0.605 0.000 0.821 11 P CB 0.661 31.654 31.700 -1.179 0.000 1.013 12 N N 1.611 120.096 118.700 -0.359 0.000 2.402 12 N HA 0.021 4.761 4.740 0.001 0.000 0.252 12 N C 0.683 175.832 175.510 -0.601 0.000 1.118 12 N CA 0.264 53.112 53.050 -0.337 0.000 0.945 12 N CB 0.335 38.734 38.487 -0.147 0.000 1.147 12 N HN 0.264 nan 8.380 nan 0.000 0.495 13 Q N 1.905 121.238 119.800 -0.778 0.000 2.369 13 Q HA -0.010 4.331 4.340 0.001 0.000 0.206 13 Q C -0.163 175.446 176.000 -0.652 0.000 0.963 13 Q CA 0.941 55.976 55.803 -1.279 0.000 0.894 13 Q CB 0.288 28.486 28.738 -0.899 0.000 0.965 13 Q HN 0.661 nan 8.270 nan 0.000 0.475 14 Q N 0.965 120.550 119.800 -0.358 0.000 3.048 14 Q HA 0.250 4.591 4.340 0.001 0.000 0.337 14 Q C -2.454 173.462 176.000 -0.140 0.000 0.845 14 Q CA -1.446 54.245 55.803 -0.186 0.000 0.942 14 Q CB 1.271 29.923 28.738 -0.142 0.000 1.454 14 Q HN 0.126 nan 8.270 nan 0.000 0.392 15 P HA -0.050 nan 4.420 nan 0.000 0.269 15 P C -0.248 177.021 177.300 -0.050 0.000 1.209 15 P CA 0.034 63.110 63.100 -0.041 0.000 0.776 15 P CB 0.994 32.650 31.700 -0.073 0.000 0.876 16 E N 1.276 121.442 120.200 -0.057 0.000 2.383 16 E HA 0.196 4.546 4.350 0.001 0.000 0.264 16 E C -0.844 175.473 176.600 -0.473 0.000 1.050 16 E CA -0.581 55.621 56.400 -0.330 0.000 0.896 16 E CB 0.600 29.983 29.700 -0.529 0.000 0.982 16 E HN 0.137 nan 8.360 nan 0.000 0.424 17 V N 5.877 125.503 119.914 -0.479 0.000 2.394 17 V HA 0.163 4.284 4.120 0.001 0.000 0.282 17 V C -0.049 175.765 176.094 -0.468 0.000 1.031 17 V CA -0.170 61.926 62.300 -0.340 0.000 0.881 17 V CB 0.903 32.619 31.823 -0.178 0.000 0.982 17 V HN 0.718 nan 8.190 nan 0.000 0.451 18 F N 1.433 121.398 119.950 0.025 0.000 2.712 18 F HA 0.271 4.799 4.527 0.001 0.000 0.297 18 F C 0.893 176.588 175.800 -0.174 0.000 1.114 18 F CA -0.096 57.885 58.000 -0.031 0.000 1.305 18 F CB 0.459 39.493 39.000 0.056 0.000 1.086 18 F HN 0.380 nan 8.300 nan 0.000 0.599 19 C N 2.107 121.388 119.300 -0.033 0.000 2.364 19 C HA 0.365 4.826 4.460 0.001 0.000 0.324 19 C C 0.310 175.087 174.990 -0.357 0.000 1.234 19 C CA -0.964 57.761 59.018 -0.489 0.000 1.417 19 C CB -0.065 27.351 27.740 -0.540 0.000 2.101 19 C HN 0.580 nan 8.230 nan 0.000 0.466 20 N N 1.543 120.003 118.700 -0.400 0.000 2.471 20 N HA 0.120 4.861 4.740 0.001 0.000 0.270 20 N C -0.598 174.855 175.510 -0.094 0.000 1.490 20 N CA -0.330 52.605 53.050 -0.192 0.000 0.850 20 N CB 0.629 39.018 38.487 -0.163 0.000 1.411 20 N HN 0.751 nan 8.380 nan 0.000 0.488 21 Q N 0.146 119.935 119.800 -0.019 0.000 3.093 21 Q HA 0.557 4.897 4.340 0.001 0.000 0.330 21 Q C -0.795 175.557 176.000 0.587 0.000 0.947 21 Q CA -0.829 55.135 55.803 0.267 0.000 0.801 21 Q CB 1.973 30.891 28.738 0.301 0.000 1.470 21 Q HN 0.125 nan 8.270 nan 0.000 0.498 22 I N 1.448 122.341 120.570 0.538 0.000 2.342 22 I HA 0.201 4.372 4.170 0.001 0.000 0.291 22 I C -0.888 175.488 176.117 0.432 0.000 1.010 22 I CA -0.204 61.365 61.300 0.448 0.000 1.308 22 I CB 0.479 38.650 38.000 0.285 0.000 1.400 22 I HN 0.370 nan 8.210 nan 0.000 0.488 23 F N 8.471 128.434 119.950 0.022 0.000 2.361 23 F HA 0.595 5.122 4.527 0.001 0.000 0.364 23 F C -0.461 175.233 175.800 -0.177 0.000 1.120 23 F CA -0.373 57.392 58.000 -0.391 0.000 1.102 23 F CB 0.388 38.986 39.000 -0.669 0.000 1.183 23 F HN 0.196 nan 8.300 nan 0.000 0.476 24 I N 5.790 126.086 120.570 -0.456 0.000 2.571 24 I HA 0.196 4.367 4.170 0.001 0.000 0.289 24 I C -0.468 175.419 176.117 -0.383 0.000 1.115 24 I CA -0.907 60.186 61.300 -0.344 0.000 1.045 24 I CB 1.757 39.579 38.000 -0.296 0.000 1.238 24 I HN 0.509 nan 8.210 nan 0.000 0.424 25 N N 4.838 123.311 118.700 -0.377 0.000 2.740 25 N HA -0.239 4.502 4.740 0.001 0.000 0.248 25 N C 0.007 175.261 175.510 -0.426 0.000 1.062 25 N CA 1.233 54.108 53.050 -0.291 0.000 0.704 25 N CB -1.092 37.311 38.487 -0.140 0.000 0.968 25 N HN 0.933 nan 8.380 nan 0.000 0.547 26 N N -1.346 116.859 118.700 -0.825 0.000 2.714 26 N HA -0.236 4.504 4.740 0.001 0.000 0.250 26 N C -0.963 174.111 175.510 -0.728 0.000 1.117 26 N CA 1.240 53.803 53.050 -0.813 0.000 0.719 26 N CB -0.354 38.011 38.487 -0.203 0.000 1.081 26 N HN 0.604 nan 8.380 nan 0.000 0.557 27 E N -0.956 118.693 120.200 -0.918 0.000 2.393 27 E HA 0.364 4.715 4.350 0.001 0.000 0.273 27 E C -1.082 175.123 176.600 -0.659 0.000 0.918 27 E CA -0.671 55.377 56.400 -0.586 0.000 0.773 27 E CB 1.197 30.679 29.700 -0.362 0.000 1.275 27 E HN 0.121 nan 8.360 nan 0.000 0.451 28 W N 1.664 122.828 121.300 -0.227 0.000 2.433 28 W HA 0.323 4.984 4.660 0.002 0.000 0.315 28 W C 0.271 176.620 176.519 -0.284 0.000 1.087 28 W CA -0.347 56.944 57.345 -0.090 0.000 1.205 28 W CB 0.936 30.420 29.460 0.039 0.000 1.288 28 W HN 0.282 nan 8.180 nan 0.000 0.504 29 H N 1.698 120.940 119.070 0.286 0.000 2.690 29 H HA 0.220 4.777 4.556 0.001 0.000 0.368 29 H C -0.629 174.807 175.328 0.180 0.000 1.150 29 H CA -0.931 55.219 56.048 0.169 0.000 1.174 29 H CB 1.836 31.654 29.762 0.092 0.000 1.684 29 H HN 0.236 nan 8.280 nan 0.000 0.538 30 D N 0.688 121.234 120.400 0.243 0.000 2.344 30 D HA 0.246 4.887 4.640 0.001 0.000 0.244 30 D C 0.437 176.847 176.300 0.184 0.000 1.134 30 D CA -0.330 53.779 54.000 0.183 0.000 0.930 30 D CB 1.037 41.914 40.800 0.128 0.000 1.175 30 D HN 0.602 nan 8.370 nan 0.000 0.437 31 A N 0.889 123.805 122.820 0.160 0.000 2.507 31 A HA 0.066 4.387 4.320 0.001 0.000 0.235 31 A C 1.461 179.111 177.584 0.111 0.000 1.070 31 A CA -0.394 51.727 52.037 0.140 0.000 0.768 31 A CB 0.273 19.363 19.000 0.150 0.000 1.011 31 A HN 0.421 nan 8.150 nan 0.000 0.502 32 V N 2.120 122.087 119.914 0.089 0.000 2.759 32 V HA -0.190 3.931 4.120 0.001 0.000 0.256 32 V C 2.469 178.603 176.094 0.067 0.000 1.080 32 V CA 2.414 64.756 62.300 0.071 0.000 1.101 32 V CB -0.842 31.012 31.823 0.052 0.000 0.698 32 V HN 1.088 nan 8.190 nan 0.000 0.477 33 S N -1.023 114.721 115.700 0.074 0.000 2.501 33 S HA -0.028 4.443 4.470 0.001 0.000 0.220 33 S C 1.282 175.925 174.600 0.070 0.000 0.997 33 S CA -0.012 58.228 58.200 0.067 0.000 0.919 33 S CB 0.054 63.296 63.200 0.069 0.000 0.778 33 S HN 0.485 nan 8.310 nan 0.000 0.523 34 R N -0.125 120.425 120.500 0.083 0.000 3.954 34 R HA -0.106 4.235 4.340 0.001 0.000 0.422 34 R C -0.643 175.709 176.300 0.086 0.000 1.091 34 R CA 1.116 57.265 56.100 0.081 0.000 1.168 34 R CB -2.461 27.877 30.300 0.064 0.000 1.752 34 R HN 0.556 nan 8.270 nan 0.000 0.547 35 K N 1.525 121.985 120.400 0.101 0.000 2.295 35 K HA 0.249 4.570 4.320 0.001 0.000 0.270 35 K C 0.901 177.595 176.600 0.157 0.000 1.011 35 K CA 0.737 57.095 56.287 0.117 0.000 0.953 35 K CB 0.756 33.329 32.500 0.121 0.000 0.956 35 K HN 0.295 nan 8.250 nan 0.000 0.477 36 T N -0.764 113.884 114.554 0.157 0.000 2.901 36 T HA 0.691 5.042 4.350 0.001 0.000 0.293 36 T C -0.821 174.032 174.700 0.255 0.000 1.084 36 T CA -1.014 61.183 62.100 0.162 0.000 1.008 36 T CB 0.782 69.671 68.868 0.035 0.000 1.170 36 T HN 0.458 nan 8.240 nan 0.000 0.509 37 F N -0.621 119.401 119.950 0.120 0.000 2.588 37 F HA 0.877 5.405 4.527 0.001 0.000 0.314 37 F C -3.053 172.791 175.800 0.073 0.000 1.069 37 F CA -3.004 55.080 58.000 0.140 0.000 0.931 37 F CB 1.389 40.542 39.000 0.256 0.000 1.260 37 F HN 0.394 nan 8.300 nan 0.000 0.465 38 P HA 0.147 nan 4.420 nan 0.000 0.280 38 P C -0.809 176.519 177.300 0.047 0.000 1.244 38 P CA -0.071 63.042 63.100 0.022 0.000 0.784 38 P CB 1.768 33.519 31.700 0.085 0.000 0.913 39 T N 1.981 116.493 114.554 -0.070 0.000 2.824 39 T HA 0.409 4.759 4.350 0.001 0.000 0.280 39 T C -0.544 174.149 174.700 -0.012 0.000 0.995 39 T CA -0.514 61.581 62.100 -0.008 0.000 1.009 39 T CB 0.440 69.279 68.868 -0.047 0.000 0.955 39 T HN 0.067 nan 8.240 nan 0.000 0.452 40 V N 5.334 125.252 119.914 0.007 0.000 2.732 40 V HA 0.434 4.555 4.120 0.001 0.000 0.310 40 V C 0.470 176.551 176.094 -0.022 0.000 1.053 40 V CA -1.109 61.192 62.300 0.001 0.000 0.957 40 V CB 1.807 33.655 31.823 0.042 0.000 1.018 40 V HN 0.969 nan 8.190 nan 0.000 0.452 41 N N 4.072 122.748 118.700 -0.042 0.000 2.411 41 N HA 0.201 4.942 4.740 0.001 0.000 0.259 41 N C -1.897 173.547 175.510 -0.111 0.000 1.103 41 N CA -1.335 51.676 53.050 -0.064 0.000 0.954 41 N CB 1.518 39.974 38.487 -0.052 0.000 1.085 41 N HN 0.345 nan 8.380 nan 0.000 0.485 42 P HA -0.051 nan 4.420 nan 0.000 0.222 42 P C 0.494 177.552 177.300 -0.405 0.000 1.147 42 P CA 0.890 63.887 63.100 -0.171 0.000 0.790 42 P CB 0.348 31.958 31.700 -0.150 0.000 0.780 43 S N -1.638 113.902 115.700 -0.265 0.000 2.496 43 S HA -0.032 4.439 4.470 0.001 0.000 0.224 43 S C 1.622 176.180 174.600 -0.070 0.000 0.996 43 S CA 1.609 59.720 58.200 -0.149 0.000 0.927 43 S CB -0.589 62.632 63.200 0.034 0.000 0.774 43 S HN 0.386 nan 8.310 nan 0.000 0.524 44 T N -3.831 110.612 114.554 -0.184 0.000 2.966 44 T HA 0.440 4.791 4.350 0.001 0.000 0.254 44 T C 1.428 175.970 174.700 -0.262 0.000 0.961 44 T CA 0.818 62.823 62.100 -0.159 0.000 0.915 44 T CB 0.328 69.146 68.868 -0.084 0.000 1.186 44 T HN 0.443 nan 8.240 nan 0.000 0.505 45 G N 1.384 109.971 108.800 -0.355 0.000 2.159 45 G HA2 -0.211 3.749 3.960 0.001 0.000 0.256 45 G HA3 -0.211 3.749 3.960 0.001 0.000 0.256 45 G C -0.264 174.573 174.900 -0.105 0.000 0.977 45 G CA 0.231 45.144 45.100 -0.312 0.000 0.652 45 G HN 0.695 nan 8.290 nan 0.000 0.531 46 E N -0.391 119.755 120.200 -0.091 0.000 2.242 46 E HA 0.530 4.881 4.350 0.001 0.000 0.275 46 E C 0.550 177.130 176.600 -0.034 0.000 1.002 46 E CA -0.916 55.455 56.400 -0.049 0.000 0.841 46 E CB 2.128 31.798 29.700 -0.050 0.000 1.109 46 E HN 0.081 nan 8.360 nan 0.000 0.394 47 V N 3.873 123.774 119.914 -0.022 0.000 2.673 47 V HA -0.093 4.027 4.120 0.001 0.000 0.303 47 V C 1.210 177.281 176.094 -0.039 0.000 1.046 47 V CA 0.856 63.143 62.300 -0.022 0.000 1.126 47 V CB 0.275 32.087 31.823 -0.017 0.000 0.934 47 V HN 0.693 nan 8.190 nan 0.000 0.487 48 I N 3.674 124.216 120.570 -0.047 0.000 2.429 48 I HA 0.086 4.256 4.170 0.001 0.000 0.247 48 I C 0.899 176.971 176.117 -0.075 0.000 1.099 48 I CA 1.139 62.404 61.300 -0.059 0.000 1.422 48 I CB 0.346 38.311 38.000 -0.060 0.000 1.112 48 I HN 0.884 nan 8.210 nan 0.000 0.430 49 C N -2.097 117.150 119.300 -0.087 0.000 3.216 49 C HA 0.398 4.858 4.460 0.001 0.000 0.346 49 C C -1.289 173.618 174.990 -0.137 0.000 1.384 49 C CA -1.200 57.756 59.018 -0.104 0.000 1.208 49 C CB 1.199 28.869 27.740 -0.117 0.000 1.483 49 C HN 0.128 nan 8.230 nan 0.000 0.453 50 Q N 0.563 120.277 119.800 -0.143 0.000 2.227 50 Q HA 0.740 5.081 4.340 0.001 0.000 0.245 50 Q C -0.637 175.194 176.000 -0.282 0.000 0.926 50 Q CA -0.256 55.430 55.803 -0.196 0.000 0.895 50 Q CB 1.960 30.631 28.738 -0.111 0.000 1.230 50 Q HN 0.721 nan 8.270 nan 0.000 0.450 51 V N 0.541 120.157 119.914 -0.498 0.000 2.735 51 V HA 0.477 4.598 4.120 0.001 0.000 0.310 51 V C -0.331 175.589 176.094 -0.290 0.000 1.061 51 V CA -1.248 60.760 62.300 -0.487 0.000 0.913 51 V CB 1.846 33.197 31.823 -0.787 0.000 1.005 51 V HN 0.909 nan 8.190 nan 0.000 0.428 52 A N 2.545 125.347 122.820 -0.030 0.000 2.566 52 A HA 0.117 4.438 4.320 0.001 0.000 0.245 52 A C 0.447 178.211 177.584 0.301 0.000 1.056 52 A CA 0.380 52.497 52.037 0.133 0.000 0.757 52 A CB -0.139 18.968 19.000 0.179 0.000 0.979 52 A HN 0.879 nan 8.150 nan 0.000 0.508 53 E N 3.092 123.514 120.200 0.370 0.000 1.936 53 E HA 0.329 4.679 4.350 0.001 0.000 0.267 53 E C 0.599 177.378 176.600 0.298 0.000 1.076 53 E CA -0.247 56.445 56.400 0.487 0.000 0.870 53 E CB 0.231 30.240 29.700 0.514 0.000 1.093 53 E HN 0.792 nan 8.360 nan 0.000 0.411 54 G N 3.643 112.602 108.800 0.264 0.000 2.406 54 G HA2 0.043 4.003 3.960 0.001 0.000 0.251 54 G HA3 0.043 4.003 3.960 0.001 0.000 0.251 54 G C -0.262 174.732 174.900 0.157 0.000 1.271 54 G CA -0.258 44.953 45.100 0.186 0.000 0.859 54 G HN 0.541 nan 8.290 nan 0.000 0.540 55 D N 0.035 120.508 120.400 0.122 0.000 2.758 55 D HA 0.225 4.865 4.640 0.001 0.000 0.262 55 D C 1.411 177.760 176.300 0.083 0.000 1.113 55 D CA -0.824 53.236 54.000 0.100 0.000 1.114 55 D CB 1.633 42.484 40.800 0.085 0.000 1.363 55 D HN 0.272 nan 8.370 nan 0.000 0.617 56 K N 0.197 120.640 120.400 0.071 0.000 2.074 56 K HA -0.162 4.159 4.320 0.001 0.000 0.209 56 K C 1.470 178.112 176.600 0.070 0.000 1.048 56 K CA 1.604 57.933 56.287 0.070 0.000 0.926 56 K CB 0.080 32.610 32.500 0.049 0.000 0.713 56 K HN 0.332 nan 8.250 nan 0.000 0.444 57 E N 0.303 120.537 120.200 0.056 0.000 2.153 57 E HA -0.175 4.175 4.350 0.001 0.000 0.194 57 E C 1.564 178.188 176.600 0.040 0.000 0.988 57 E CA 1.114 57.542 56.400 0.047 0.000 0.811 57 E CB -0.018 29.705 29.700 0.039 0.000 0.746 57 E HN 0.473 nan 8.360 nan 0.000 0.466 58 D N 0.530 120.958 120.400 0.047 0.000 2.194 58 D HA -0.077 4.564 4.640 0.001 0.000 0.204 58 D C 2.122 178.436 176.300 0.023 0.000 0.964 58 D CA 0.612 54.631 54.000 0.032 0.000 0.846 58 D CB 0.151 40.990 40.800 0.065 0.000 0.962 58 D HN 0.036 nan 8.370 nan 0.000 0.490 59 V N 1.849 121.793 119.914 0.050 0.000 2.427 59 V HA -0.186 3.935 4.120 0.001 0.000 0.248 59 V C 1.957 178.065 176.094 0.023 0.000 1.051 59 V CA 1.497 63.821 62.300 0.040 0.000 1.048 59 V CB -0.333 31.536 31.823 0.078 0.000 0.666 59 V HN 0.011 nan 8.190 nan 0.000 0.456 60 D N 0.224 120.676 120.400 0.086 0.000 2.104 60 D HA -0.161 4.479 4.640 0.001 0.000 0.194 60 D C 2.267 178.584 176.300 0.028 0.000 0.994 60 D CA 1.272 55.348 54.000 0.127 0.000 0.830 60 D CB -0.194 40.686 40.800 0.134 0.000 0.959 60 D HN 0.388 nan 8.370 nan 0.000 0.452 61 K N 0.488 120.881 120.400 -0.011 0.000 2.032 61 K HA -0.099 4.222 4.320 0.001 0.000 0.209 61 K C 2.140 178.686 176.600 -0.090 0.000 1.048 61 K CA 1.175 57.424 56.287 -0.063 0.000 0.927 61 K CB -0.146 32.283 32.500 -0.118 0.000 0.712 61 K HN 0.036 nan 8.250 nan 0.000 0.441 62 A N 0.993 123.759 122.820 -0.089 0.000 1.902 62 A HA -0.129 4.191 4.320 0.001 0.000 0.217 62 A C 2.359 179.882 177.584 -0.102 0.000 1.181 62 A CA 1.528 53.508 52.037 -0.095 0.000 0.623 62 A CB -0.577 18.385 19.000 -0.062 0.000 0.818 62 A HN 0.091 nan 8.150 nan 0.000 0.443 63 V N -0.119 119.714 119.914 -0.136 0.000 2.453 63 V HA -0.210 3.911 4.120 0.001 0.000 0.247 63 V C 2.373 178.402 176.094 -0.107 0.000 1.048 63 V CA 2.145 64.327 62.300 -0.197 0.000 1.049 63 V CB -0.615 30.912 31.823 -0.494 0.000 0.672 63 V HN 0.523 nan 8.190 nan 0.000 0.457 64 K N 0.393 120.759 120.400 -0.058 0.000 2.097 64 K HA -0.115 4.206 4.320 0.001 0.000 0.206 64 K C 2.296 178.888 176.600 -0.014 0.000 1.049 64 K CA 1.438 57.718 56.287 -0.012 0.000 0.933 64 K CB -0.360 32.142 32.500 0.003 0.000 0.717 64 K HN 0.478 nan 8.250 nan 0.000 0.442 65 A N 1.420 124.215 122.820 -0.041 0.000 1.898 65 A HA -0.086 4.235 4.320 0.001 0.000 0.216 65 A C 2.359 179.931 177.584 -0.020 0.000 1.181 65 A CA 1.751 53.763 52.037 -0.042 0.000 0.620 65 A CB -0.638 18.311 19.000 -0.084 0.000 0.819 65 A HN 0.321 nan 8.150 nan 0.000 0.442 66 A N -0.278 122.523 122.820 -0.032 0.000 1.902 66 A HA -0.129 4.192 4.320 0.001 0.000 0.217 66 A C 2.173 179.795 177.584 0.062 0.000 1.181 66 A CA 2.077 54.108 52.037 -0.010 0.000 0.623 66 A CB -0.443 18.527 19.000 -0.051 0.000 0.818 66 A HN 0.439 nan 8.150 nan 0.000 0.443 67 R N 0.355 120.884 120.500 0.048 0.000 2.083 67 R HA -0.073 4.267 4.340 0.001 0.000 0.237 67 R C 2.143 178.536 176.300 0.154 0.000 1.137 67 R CA 2.070 58.237 56.100 0.112 0.000 0.951 67 R CB -0.989 29.354 30.300 0.072 0.000 0.851 67 R HN 0.397 nan 8.270 nan 0.000 0.434 68 A N 0.084 122.962 122.820 0.097 0.000 1.933 68 A HA -0.040 4.281 4.320 0.001 0.000 0.218 68 A C 2.321 179.977 177.584 0.120 0.000 1.175 68 A CA 1.794 53.885 52.037 0.090 0.000 0.628 68 A CB -0.992 18.039 19.000 0.051 0.000 0.814 68 A HN 0.484 nan 8.150 nan 0.000 0.444 69 A N -2.204 120.697 122.820 0.136 0.000 2.067 69 A HA 0.071 4.392 4.320 0.001 0.000 0.219 69 A C 1.750 179.523 177.584 0.316 0.000 1.158 69 A CA 1.287 53.431 52.037 0.178 0.000 0.661 69 A CB -0.511 18.554 19.000 0.107 0.000 0.801 69 A HN 0.600 nan 8.150 nan 0.000 0.452 70 F N 0.185 120.225 119.950 0.150 0.000 2.727 70 F HA 0.213 4.740 4.527 0.001 0.000 0.302 70 F C 0.607 176.482 175.800 0.124 0.000 1.097 70 F CA -0.284 57.826 58.000 0.183 0.000 1.330 70 F CB 0.161 39.253 39.000 0.153 0.000 1.084 70 F HN 0.077 nan 8.300 nan 0.000 0.578 71 Q N 1.823 121.679 119.800 0.094 0.000 2.286 71 Q HA -0.005 4.336 4.340 0.001 0.000 0.290 71 Q C -0.090 175.860 176.000 -0.083 0.000 1.049 71 Q CA 0.025 55.833 55.803 0.009 0.000 0.923 71 Q CB 0.463 29.229 28.738 0.047 0.000 1.183 71 Q HN 0.254 nan 8.270 nan 0.000 0.383 72 L N 1.816 122.972 121.223 -0.113 0.000 2.593 72 L HA 0.020 4.361 4.340 0.001 0.000 0.287 72 L C 1.375 178.210 176.870 -0.058 0.000 1.243 72 L CA 2.333 57.106 54.840 -0.111 0.000 0.890 72 L CB 0.040 42.054 42.059 -0.076 0.000 1.134 72 L HN 0.943 nan 8.230 nan 0.000 0.502 73 G N 1.928 110.693 108.800 -0.058 0.000 2.205 73 G HA2 -0.306 3.655 3.960 0.001 0.000 0.261 73 G HA3 -0.306 3.655 3.960 0.001 0.000 0.261 73 G C 0.419 175.315 174.900 -0.007 0.000 0.980 73 G CA 0.515 45.598 45.100 -0.028 0.000 0.632 73 G HN 1.155 nan 8.290 nan 0.000 0.533 74 S N 0.637 116.339 115.700 0.003 0.000 2.589 74 S HA 0.518 4.988 4.470 0.001 0.000 0.265 74 S C -0.518 174.125 174.600 0.072 0.000 1.342 74 S CA -0.155 58.076 58.200 0.051 0.000 1.005 74 S CB 1.715 64.970 63.200 0.091 0.000 0.909 74 S HN 0.023 nan 8.310 nan 0.000 0.555 75 P HA -0.096 nan 4.420 nan 0.000 0.215 75 P C 1.268 178.692 177.300 0.206 0.000 1.153 75 P CA 1.214 64.391 63.100 0.127 0.000 0.853 75 P CB -0.121 31.662 31.700 0.139 0.000 0.788 76 W N 0.163 121.492 121.300 0.047 0.000 2.418 76 W HA -0.118 4.543 4.660 0.001 0.000 0.292 76 W C 1.662 178.211 176.519 0.050 0.000 1.213 76 W CA 0.540 57.933 57.345 0.080 0.000 1.283 76 W CB -0.059 29.479 29.460 0.129 0.000 1.119 76 W HN -0.162 nan 8.180 nan 0.000 0.542 77 R N 0.429 120.911 120.500 -0.030 0.000 2.090 77 R HA -0.042 4.299 4.340 0.001 0.000 0.228 77 R C 2.087 178.287 176.300 -0.167 0.000 1.110 77 R CA 1.045 57.027 56.100 -0.197 0.000 0.973 77 R CB -0.682 29.498 30.300 -0.201 0.000 0.869 77 R HN 0.321 nan 8.270 nan 0.000 0.440 78 R N -0.186 120.259 120.500 -0.091 0.000 2.161 78 R HA 0.158 4.499 4.340 0.001 0.000 0.213 78 R C 1.208 177.458 176.300 -0.084 0.000 1.055 78 R CA -0.149 55.906 56.100 -0.075 0.000 0.996 78 R CB -0.071 30.204 30.300 -0.041 0.000 0.901 78 R HN 0.123 nan 8.270 nan 0.000 0.456 79 M N 2.527 122.074 119.600 -0.089 0.000 2.248 79 M HA -0.056 4.425 4.480 0.001 0.000 0.343 79 M C -0.822 175.425 176.300 -0.089 0.000 1.243 79 M CA 0.397 55.651 55.300 -0.077 0.000 1.025 79 M CB 0.514 33.102 32.600 -0.019 0.000 1.759 79 M HN -0.052 nan 8.290 nan 0.000 0.452 80 D N 4.133 124.505 120.400 -0.047 0.000 2.449 80 D HA 0.075 4.716 4.640 0.001 0.000 0.236 80 D C 0.936 177.230 176.300 -0.010 0.000 1.149 80 D CA 0.631 54.618 54.000 -0.021 0.000 0.878 80 D CB 0.893 41.696 40.800 0.004 0.000 1.198 80 D HN 0.761 nan 8.370 nan 0.000 0.446 81 A N 2.218 125.026 122.820 -0.021 0.000 1.917 81 A HA -0.237 4.084 4.320 0.001 0.000 0.219 81 A C 2.102 179.701 177.584 0.026 0.000 1.182 81 A CA 2.363 54.393 52.037 -0.012 0.000 0.633 81 A CB -0.739 18.269 19.000 0.013 0.000 0.819 81 A HN 0.603 nan 8.150 nan 0.000 0.448 82 S N -1.298 114.427 115.700 0.041 0.000 2.419 82 S HA -0.242 4.228 4.470 0.001 0.000 0.233 82 S C 1.786 176.422 174.600 0.060 0.000 1.016 82 S CA 1.622 59.850 58.200 0.046 0.000 0.974 82 S CB -0.659 62.567 63.200 0.043 0.000 0.786 82 S HN 0.766 nan 8.310 nan 0.000 0.492 83 H N 1.627 120.688 119.070 -0.016 0.000 2.403 83 H HA 0.242 4.799 4.556 0.001 0.000 0.298 83 H C 2.309 177.635 175.328 -0.003 0.000 1.059 83 H CA 1.279 57.317 56.048 -0.017 0.000 1.363 83 H CB -0.041 29.705 29.762 -0.026 0.000 1.410 83 H HN 0.325 nan 8.280 nan 0.000 0.528 84 R N -0.534 119.983 120.500 0.029 0.000 2.103 84 R HA -0.115 4.225 4.340 0.001 0.000 0.242 84 R C 2.524 178.869 176.300 0.075 0.000 1.142 84 R CA 1.178 57.324 56.100 0.077 0.000 0.960 84 R CB -0.629 29.694 30.300 0.037 0.000 0.858 84 R HN 0.428 nan 8.270 nan 0.000 0.439 85 G N 1.172 109.997 108.800 0.041 0.000 2.418 85 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 85 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 85 G C 1.445 176.337 174.900 -0.014 0.000 1.158 85 G CA 0.276 45.402 45.100 0.043 0.000 0.771 85 G HN 0.125 nan 8.290 nan 0.000 0.545 86 R N 0.148 120.580 120.500 -0.113 0.000 2.081 86 R HA 0.091 4.431 4.340 0.001 0.000 0.235 86 R C 2.643 178.823 176.300 -0.200 0.000 1.131 86 R CA 0.548 56.544 56.100 -0.173 0.000 0.960 86 R CB -1.076 29.051 30.300 -0.288 0.000 0.856 86 R HN 0.402 nan 8.270 nan 0.000 0.436 87 L N 0.376 121.412 121.223 -0.312 0.000 2.083 87 L HA -0.142 4.198 4.340 0.001 0.000 0.209 87 L C 2.460 179.328 176.870 -0.004 0.000 1.083 87 L CA 0.988 55.603 54.840 -0.375 0.000 0.752 87 L CB -0.413 41.114 42.059 -0.888 0.000 0.899 87 L HN 0.119 nan 8.230 nan 0.000 0.433 88 L N -0.447 120.888 121.223 0.187 0.000 2.046 88 L HA -0.211 4.129 4.340 0.001 0.000 0.208 88 L C 2.386 179.361 176.870 0.174 0.000 1.077 88 L CA 1.006 56.026 54.840 0.301 0.000 0.747 88 L CB -0.532 41.690 42.059 0.272 0.000 0.896 88 L HN 0.346 nan 8.230 nan 0.000 0.432 89 N N -0.093 118.665 118.700 0.096 0.000 2.166 89 N HA -0.208 4.533 4.740 0.001 0.000 0.186 89 N C 1.950 177.497 175.510 0.062 0.000 1.019 89 N CA 1.006 54.096 53.050 0.067 0.000 0.856 89 N CB -0.200 38.306 38.487 0.031 0.000 0.993 89 N HN 0.169 nan 8.380 nan 0.000 0.426 90 R N 1.308 121.834 120.500 0.045 0.000 2.073 90 R HA -0.021 4.320 4.340 0.001 0.000 0.234 90 R C 2.051 178.405 176.300 0.090 0.000 1.134 90 R CA 0.837 56.964 56.100 0.044 0.000 0.952 90 R CB -1.032 29.267 30.300 -0.002 0.000 0.850 90 R HN 0.159 nan 8.270 nan 0.000 0.433 91 L N 0.433 121.749 121.223 0.155 0.000 2.012 91 L HA -0.020 4.320 4.340 0.001 0.000 0.210 91 L C 2.135 179.075 176.870 0.117 0.000 1.073 91 L CA 2.340 57.282 54.840 0.169 0.000 0.748 91 L CB -1.220 40.985 42.059 0.243 0.000 0.891 91 L HN 0.290 nan 8.230 nan 0.000 0.431 92 A N -0.808 122.080 122.820 0.114 0.000 1.883 92 A HA -0.256 4.065 4.320 0.001 0.000 0.217 92 A C 2.028 179.660 177.584 0.080 0.000 1.186 92 A CA 1.996 54.090 52.037 0.095 0.000 0.624 92 A CB -0.962 18.094 19.000 0.095 0.000 0.822 92 A HN 0.548 nan 8.150 nan 0.000 0.444 93 D N 0.004 120.448 120.400 0.073 0.000 2.123 93 D HA -0.136 4.505 4.640 0.001 0.000 0.196 93 D C 1.951 178.293 176.300 0.070 0.000 0.992 93 D CA 1.145 55.183 54.000 0.063 0.000 0.833 93 D CB -0.335 40.496 40.800 0.052 0.000 0.954 93 D HN 0.482 nan 8.370 nan 0.000 0.455 94 L N 0.300 121.569 121.223 0.076 0.000 2.027 94 L HA -0.103 4.238 4.340 0.001 0.000 0.206 94 L C 2.571 179.507 176.870 0.109 0.000 1.074 94 L CA 0.648 55.536 54.840 0.081 0.000 0.745 94 L CB -0.318 41.783 42.059 0.070 0.000 0.898 94 L HN 0.020 nan 8.230 nan 0.000 0.433 95 I N -0.016 120.620 120.570 0.110 0.000 2.208 95 I HA -0.331 3.839 4.170 0.001 0.000 0.245 95 I C 2.620 178.804 176.117 0.113 0.000 1.097 95 I CA 1.548 62.926 61.300 0.130 0.000 1.363 95 I CB -0.260 37.803 38.000 0.105 0.000 1.051 95 I HN 0.366 nan 8.210 nan 0.000 0.413 96 E N 1.152 121.401 120.200 0.082 0.000 2.110 96 E HA -0.271 4.080 4.350 0.001 0.000 0.193 96 E C 2.390 179.044 176.600 0.090 0.000 0.988 96 E CA 0.938 57.376 56.400 0.063 0.000 0.804 96 E CB -0.041 29.689 29.700 0.049 0.000 0.745 96 E HN 0.262 nan 8.360 nan 0.000 0.458 97 R N 0.385 120.944 120.500 0.097 0.000 2.103 97 R HA -0.155 4.186 4.340 0.001 0.000 0.242 97 R C 0.385 176.767 176.300 0.136 0.000 1.142 97 R CA 1.889 58.051 56.100 0.104 0.000 0.960 97 R CB -0.033 30.319 30.300 0.088 0.000 0.858 97 R HN 0.140 nan 8.270 nan 0.000 0.439 98 D N -0.310 120.194 120.400 0.173 0.000 2.460 98 D HA 0.022 4.663 4.640 0.001 0.000 0.229 98 D C 1.088 177.538 176.300 0.251 0.000 1.170 98 D CA -0.028 54.111 54.000 0.232 0.000 0.827 98 D CB 0.220 41.218 40.800 0.330 0.000 0.973 98 D HN 0.259 nan 8.370 nan 0.000 0.496 99 R N 0.398 121.013 120.500 0.192 0.000 2.080 99 R HA -0.130 4.211 4.340 0.001 0.000 0.236 99 R C 1.479 177.940 176.300 0.269 0.000 1.137 99 R CA 1.616 57.800 56.100 0.141 0.000 0.943 99 R CB -0.100 30.205 30.300 0.010 0.000 0.846 99 R HN -0.026 nan 8.270 nan 0.000 0.431 100 T N 0.093 114.895 114.554 0.412 0.000 2.720 100 T HA -0.215 4.136 4.350 0.001 0.000 0.268 100 T C 1.371 176.298 174.700 0.378 0.000 1.037 100 T CA 1.648 64.049 62.100 0.503 0.000 1.144 100 T CB -0.475 68.615 68.868 0.371 0.000 0.864 100 T HN 0.424 nan 8.240 nan 0.000 0.444 101 Y N 1.578 121.979 120.300 0.170 0.000 2.163 101 Y HA 0.003 4.554 4.550 0.001 0.000 0.288 101 Y C 2.030 177.968 175.900 0.065 0.000 1.136 101 Y CA 1.029 59.174 58.100 0.076 0.000 1.147 101 Y CB -0.530 37.921 38.460 -0.014 0.000 0.987 101 Y HN 0.091 nan 8.280 nan 0.000 0.509 102 L N -0.098 121.133 121.223 0.014 0.000 2.083 102 L HA -0.228 4.113 4.340 0.001 0.000 0.209 102 L C 2.786 179.643 176.870 -0.022 0.000 1.083 102 L CA 1.145 55.942 54.840 -0.070 0.000 0.752 102 L CB -0.952 41.177 42.059 0.117 0.000 0.899 102 L HN 0.410 nan 8.230 nan 0.000 0.433 103 A N -0.010 122.884 122.820 0.124 0.000 1.883 103 A HA -0.207 4.114 4.320 0.001 0.000 0.217 103 A C 2.490 180.249 177.584 0.291 0.000 1.186 103 A CA 1.895 54.056 52.037 0.207 0.000 0.624 103 A CB -0.689 18.518 19.000 0.344 0.000 0.822 103 A HN 0.421 nan 8.150 nan 0.000 0.444 104 A N -0.954 122.069 122.820 0.338 0.000 1.929 104 A HA 0.072 4.393 4.320 0.001 0.000 0.216 104 A C 2.094 179.764 177.584 0.144 0.000 1.176 104 A CA 1.573 53.820 52.037 0.351 0.000 0.628 104 A CB -0.507 18.581 19.000 0.147 0.000 0.816 104 A HN 0.621 nan 8.150 nan 0.000 0.444 105 L N -0.086 121.050 121.223 -0.144 0.000 2.093 105 L HA -0.074 4.267 4.340 0.001 0.000 0.208 105 L C 2.162 178.978 176.870 -0.091 0.000 1.085 105 L CA 2.520 57.233 54.840 -0.212 0.000 0.755 105 L CB -0.586 41.175 42.059 -0.495 0.000 0.904 105 L HN 0.489 nan 8.230 nan 0.000 0.435 106 E N -0.949 119.215 120.200 -0.061 0.000 2.058 106 E HA -0.206 4.145 4.350 0.001 0.000 0.194 106 E C 2.036 178.597 176.600 -0.066 0.000 0.997 106 E CA 2.094 58.470 56.400 -0.040 0.000 0.801 106 E CB -0.352 29.337 29.700 -0.018 0.000 0.746 106 E HN 0.463 nan 8.360 nan 0.000 0.450 107 T N 0.587 115.094 114.554 -0.078 0.000 2.788 107 T HA -0.132 4.219 4.350 0.001 0.000 0.268 107 T C 1.667 176.237 174.700 -0.217 0.000 1.044 107 T CA 1.121 63.089 62.100 -0.221 0.000 1.139 107 T CB -0.297 68.297 68.868 -0.457 0.000 0.867 107 T HN 0.111 nan 8.240 nan 0.000 0.454 108 L N 1.128 122.308 121.223 -0.072 0.000 2.056 108 L HA -0.024 4.317 4.340 0.001 0.000 0.207 108 L C 1.955 178.799 176.870 -0.043 0.000 1.078 108 L CA 1.810 56.656 54.840 0.010 0.000 0.749 108 L CB -0.338 41.775 42.059 0.089 0.000 0.901 108 L HN 0.057 nan 8.230 nan 0.000 0.433 109 D N -1.724 118.645 120.400 -0.053 0.000 2.271 109 D HA -0.117 4.524 4.640 0.001 0.000 0.206 109 D C 1.819 178.081 176.300 -0.063 0.000 0.967 109 D CA 0.635 54.606 54.000 -0.048 0.000 0.867 109 D CB 0.118 40.900 40.800 -0.031 0.000 0.960 109 D HN 0.422 nan 8.370 nan 0.000 0.509 110 N N -0.797 117.854 118.700 -0.081 0.000 2.510 110 N HA 0.009 4.750 4.740 0.001 0.000 0.186 110 N C 1.336 176.761 175.510 -0.142 0.000 1.051 110 N CA 1.486 54.483 53.050 -0.089 0.000 0.877 110 N CB 1.015 39.460 38.487 -0.071 0.000 1.183 110 N HN 0.212 nan 8.380 nan 0.000 0.443 111 G N 1.578 110.274 108.800 -0.174 0.000 2.213 111 G HA2 -0.255 3.706 3.960 0.001 0.000 0.226 111 G HA3 -0.255 3.706 3.960 0.001 0.000 0.226 111 G C -0.080 174.689 174.900 -0.219 0.000 0.992 111 G CA 0.398 45.371 45.100 -0.213 0.000 0.632 111 G HN 0.678 nan 8.290 nan 0.000 0.511 112 K N 0.924 121.193 120.400 -0.217 0.000 2.319 112 K HA 0.510 4.831 4.320 0.001 0.000 0.265 112 K C -2.712 173.769 176.600 -0.198 0.000 1.000 112 K CA -1.387 54.765 56.287 -0.224 0.000 0.943 112 K CB 0.575 32.919 32.500 -0.260 0.000 0.950 112 K HN 0.076 nan 8.250 nan 0.000 0.485 113 P HA -0.092 nan 4.420 nan 0.000 0.268 113 P C -0.319 176.940 177.300 -0.067 0.000 1.204 113 P CA -0.109 62.931 63.100 -0.100 0.000 0.768 113 P CB 0.156 31.828 31.700 -0.047 0.000 0.842 114 Y N 4.511 124.701 120.300 -0.183 0.000 2.193 114 Y HA -0.259 4.292 4.550 0.001 0.000 0.285 114 Y C 1.750 177.684 175.900 0.056 0.000 1.166 114 Y CA 1.764 59.822 58.100 -0.071 0.000 1.181 114 Y CB -0.890 37.588 38.460 0.030 0.000 0.976 114 Y HN 0.076 nan 8.280 nan 0.000 0.520 115 V N 0.459 120.317 119.914 -0.094 0.000 2.392 115 V HA -0.324 3.796 4.120 0.001 0.000 0.249 115 V C 2.349 178.406 176.094 -0.062 0.000 1.059 115 V CA 1.787 64.009 62.300 -0.130 0.000 1.051 115 V CB -0.615 31.212 31.823 0.008 0.000 0.658 115 V HN 0.448 nan 8.190 nan 0.000 0.455 116 I N -0.247 120.312 120.570 -0.018 0.000 2.333 116 I HA -0.105 4.065 4.170 0.001 0.000 0.246 116 I C 2.565 178.701 176.117 0.032 0.000 1.106 116 I CA 1.250 62.582 61.300 0.052 0.000 1.411 116 I CB -1.351 36.674 38.000 0.042 0.000 1.082 116 I HN 0.270 nan 8.210 nan 0.000 0.420 117 S N 0.363 116.042 115.700 -0.035 0.000 2.374 117 S HA -0.242 4.228 4.470 0.001 0.000 0.227 117 S C 2.020 176.602 174.600 -0.030 0.000 1.037 117 S CA 1.533 59.719 58.200 -0.023 0.000 1.024 117 S CB -0.489 62.703 63.200 -0.014 0.000 0.861 117 S HN 0.454 nan 8.310 nan 0.000 0.456 118 Y N 1.352 121.503 120.300 -0.248 0.000 2.176 118 Y HA 0.097 4.648 4.550 0.001 0.000 0.291 118 Y C 1.939 177.782 175.900 -0.095 0.000 1.122 118 Y CA 1.262 59.226 58.100 -0.227 0.000 1.128 118 Y CB -0.180 37.999 38.460 -0.469 0.000 1.005 118 Y HN 0.101 nan 8.280 nan 0.000 0.509 119 L N -1.327 119.964 121.223 0.113 0.000 2.240 119 L HA -0.085 4.255 4.340 0.001 0.000 0.211 119 L C 1.624 178.527 176.870 0.055 0.000 1.106 119 L CA 0.368 55.268 54.840 0.099 0.000 0.793 119 L CB -0.119 42.018 42.059 0.131 0.000 0.927 119 L HN 0.166 nan 8.230 nan 0.000 0.446 120 V N -1.152 118.809 119.914 0.079 0.000 2.868 120 V HA -0.052 4.069 4.120 0.001 0.000 0.227 120 V C 1.648 177.786 176.094 0.074 0.000 1.136 120 V CA 0.845 63.212 62.300 0.111 0.000 1.206 120 V CB -0.259 31.711 31.823 0.244 0.000 0.997 120 V HN 0.168 nan 8.190 nan 0.000 0.505 121 D N 0.779 121.236 120.400 0.096 0.000 2.126 121 D HA -0.219 4.422 4.640 0.001 0.000 0.190 121 D C 1.971 178.276 176.300 0.009 0.000 1.001 121 D CA 1.697 55.737 54.000 0.066 0.000 0.841 121 D CB -0.276 40.574 40.800 0.083 0.000 0.949 121 D HN 0.226 nan 8.370 nan 0.000 0.446 122 L N 0.033 121.234 121.223 -0.037 0.000 2.141 122 L HA -0.117 4.223 4.340 0.001 0.000 0.209 122 L C 1.882 178.710 176.870 -0.069 0.000 1.094 122 L CA 1.108 55.904 54.840 -0.073 0.000 0.763 122 L CB -0.205 41.754 42.059 -0.167 0.000 0.908 122 L HN -0.018 nan 8.230 nan 0.000 0.437 123 D N -0.380 119.975 120.400 -0.075 0.000 2.117 123 D HA -0.232 4.409 4.640 0.001 0.000 0.197 123 D C 2.253 178.562 176.300 0.015 0.000 0.987 123 D CA 1.567 55.546 54.000 -0.035 0.000 0.829 123 D CB 0.058 40.848 40.800 -0.017 0.000 0.961 123 D HN 0.197 nan 8.370 nan 0.000 0.460 124 M N -0.663 118.954 119.600 0.028 0.000 2.254 124 M HA -0.092 4.389 4.480 0.001 0.000 0.265 124 M C 2.167 178.526 176.300 0.099 0.000 1.066 124 M CA 0.522 55.861 55.300 0.064 0.000 1.123 124 M CB 0.098 32.724 32.600 0.043 0.000 1.388 124 M HN -0.020 nan 8.290 nan 0.000 0.425 125 V N 1.015 120.969 119.914 0.067 0.000 2.295 125 V HA -0.264 3.856 4.120 0.001 0.000 0.246 125 V C 2.310 178.466 176.094 0.105 0.000 1.049 125 V CA 1.685 64.039 62.300 0.090 0.000 1.024 125 V CB -0.680 31.176 31.823 0.055 0.000 0.648 125 V HN 0.452 nan 8.190 nan 0.000 0.447 126 L N -0.487 120.779 121.223 0.071 0.000 2.012 126 L HA -0.225 4.115 4.340 0.001 0.000 0.210 126 L C 2.615 179.542 176.870 0.095 0.000 1.073 126 L CA 1.856 56.740 54.840 0.073 0.000 0.748 126 L CB -0.696 41.387 42.059 0.040 0.000 0.891 126 L HN 0.283 nan 8.230 nan 0.000 0.431 127 K N -0.845 119.608 120.400 0.089 0.000 2.097 127 K HA -0.199 4.122 4.320 0.001 0.000 0.206 127 K C 2.292 178.975 176.600 0.137 0.000 1.049 127 K CA 1.521 57.865 56.287 0.094 0.000 0.933 127 K CB -0.448 32.091 32.500 0.065 0.000 0.717 127 K HN 0.403 nan 8.250 nan 0.000 0.442 128 C N 1.291 120.694 119.300 0.173 0.000 2.436 128 C HA -0.063 4.398 4.460 0.001 0.000 0.277 128 C C 2.463 177.650 174.990 0.327 0.000 1.241 128 C CA 0.584 59.754 59.018 0.254 0.000 1.721 128 C CB -0.933 27.010 27.740 0.338 0.000 2.043 128 C HN 0.400 nan 8.230 nan 0.000 0.472 129 L N 0.329 121.705 121.223 0.256 0.000 2.042 129 L HA -0.158 4.183 4.340 0.001 0.000 0.210 129 L C 3.000 180.002 176.870 0.220 0.000 1.076 129 L CA 1.904 56.888 54.840 0.239 0.000 0.749 129 L CB -0.721 41.440 42.059 0.170 0.000 0.893 129 L HN 0.374 nan 8.230 nan 0.000 0.432 130 R N -1.435 119.167 120.500 0.171 0.000 2.115 130 R HA -0.188 4.153 4.340 0.001 0.000 0.230 130 R C 2.250 178.617 176.300 0.110 0.000 1.111 130 R CA 1.319 57.493 56.100 0.123 0.000 0.976 130 R CB -0.415 29.941 30.300 0.092 0.000 0.870 130 R HN 0.277 nan 8.270 nan 0.000 0.445 131 Y N 0.105 120.405 120.300 -0.000 0.000 2.145 131 Y HA -0.256 4.295 4.550 0.001 0.000 0.286 131 Y C 1.622 177.467 175.900 -0.090 0.000 1.145 131 Y CA 1.482 59.518 58.100 -0.107 0.000 1.148 131 Y CB -0.343 38.003 38.460 -0.191 0.000 0.981 131 Y HN 0.001 nan 8.280 nan 0.000 0.507 132 Y N -0.465 119.937 120.300 0.171 0.000 2.373 132 Y HA -0.092 4.459 4.550 0.001 0.000 0.293 132 Y C 2.585 178.532 175.900 0.079 0.000 1.129 132 Y CA 0.668 58.847 58.100 0.133 0.000 1.226 132 Y CB -0.489 38.078 38.460 0.179 0.000 1.000 132 Y HN 0.257 nan 8.280 nan 0.000 0.549 133 A N 0.164 123.096 122.820 0.186 0.000 1.940 133 A HA -0.192 4.129 4.320 0.001 0.000 0.219 133 A C 2.488 180.091 177.584 0.032 0.000 1.176 133 A CA 1.840 53.948 52.037 0.119 0.000 0.631 133 A CB -1.414 17.640 19.000 0.091 0.000 0.814 133 A HN 0.481 nan 8.150 nan 0.000 0.446 134 G N -2.399 106.347 108.800 -0.090 0.000 2.443 134 G HA2 -0.195 3.766 3.960 0.001 0.000 0.219 134 G HA3 -0.195 3.766 3.960 0.001 0.000 0.219 134 G C 1.317 176.063 174.900 -0.258 0.000 1.131 134 G CA 0.679 45.642 45.100 -0.228 0.000 0.775 134 G HN 0.690 nan 8.290 nan 0.000 0.547 135 W N 0.594 121.791 121.300 -0.171 0.000 2.770 135 W HA 0.325 4.986 4.660 0.001 0.000 0.256 135 W C 2.723 179.225 176.519 -0.029 0.000 1.291 135 W CA 0.122 57.396 57.345 -0.118 0.000 1.396 135 W CB 0.331 29.729 29.460 -0.104 0.000 1.114 135 W HN 0.244 nan 8.180 nan 0.000 0.637 136 A N 1.144 124.094 122.820 0.217 0.000 1.927 136 A HA -0.281 4.040 4.320 0.001 0.000 0.220 136 A C 1.273 178.934 177.584 0.129 0.000 1.185 136 A CA 2.384 54.517 52.037 0.159 0.000 0.639 136 A CB -0.800 18.267 19.000 0.110 0.000 0.820 136 A HN 0.348 nan 8.150 nan 0.000 0.451 137 D N -2.444 118.015 120.400 0.098 0.000 2.670 137 D HA 0.259 4.900 4.640 0.001 0.000 0.255 137 D C 0.358 176.684 176.300 0.043 0.000 1.286 137 D CA -0.116 53.925 54.000 0.069 0.000 0.830 137 D CB 0.071 40.898 40.800 0.046 0.000 1.065 137 D HN 0.471 nan 8.370 nan 0.000 0.486 138 K N -0.675 119.763 120.400 0.062 0.000 2.554 138 K HA 0.043 4.363 4.320 0.001 0.000 0.211 138 K C -0.481 176.015 176.600 -0.173 0.000 1.226 138 K CA -0.465 55.750 56.287 -0.120 0.000 1.025 138 K CB 0.836 33.314 32.500 -0.036 0.000 1.021 138 K HN -0.038 nan 8.250 nan 0.000 0.600 139 Y N 3.053 123.312 120.300 -0.069 0.000 2.667 139 Y HA 0.151 4.702 4.550 0.001 0.000 0.340 139 Y C -0.446 175.431 175.900 -0.039 0.000 1.303 139 Y CA -1.145 56.935 58.100 -0.032 0.000 1.769 139 Y CB -1.012 37.457 38.460 0.015 0.000 1.804 139 Y HN 0.069 nan 8.280 nan 0.000 0.451 140 H N 0.718 119.748 119.070 -0.066 0.000 2.790 140 H HA 0.323 4.880 4.556 0.001 0.000 0.358 140 H C 1.034 175.976 175.328 -0.643 0.000 1.103 140 H CA 0.398 56.315 56.048 -0.218 0.000 1.426 140 H CB 0.786 30.476 29.762 -0.120 0.000 1.424 140 H HN 0.708 nan 8.280 nan 0.000 0.599 141 G N 1.348 109.807 108.800 -0.568 0.000 2.516 141 G HA2 0.341 4.301 3.960 0.001 0.000 0.276 141 G HA3 0.341 4.301 3.960 0.001 0.000 0.276 141 G C -0.594 174.126 174.900 -0.298 0.000 1.390 141 G CA -0.733 43.892 45.100 -0.793 0.000 1.050 141 G HN 0.546 nan 8.290 nan 0.000 0.519 142 K N -0.924 119.387 120.400 -0.148 0.000 2.385 142 K HA 0.541 4.862 4.320 0.001 0.000 0.248 142 K C -0.734 175.887 176.600 0.036 0.000 0.955 142 K CA -0.654 55.607 56.287 -0.043 0.000 0.816 142 K CB 2.172 34.661 32.500 -0.018 0.000 1.250 142 K HN 0.623 nan 8.250 nan 0.000 0.434 143 T N -0.908 113.682 114.554 0.060 0.000 2.797 143 T HA 0.643 4.994 4.350 0.001 0.000 0.279 143 T C -0.112 174.654 174.700 0.111 0.000 0.991 143 T CA -0.759 61.426 62.100 0.142 0.000 0.979 143 T CB 0.244 69.242 68.868 0.217 0.000 0.943 143 T HN 0.391 nan 8.240 nan 0.000 0.444 144 I N 4.170 124.809 120.570 0.115 0.000 2.418 144 I HA 0.343 4.513 4.170 0.001 0.000 0.287 144 I C -2.233 173.942 176.117 0.098 0.000 1.008 144 I CA -2.889 58.455 61.300 0.073 0.000 1.104 144 I CB 2.569 40.584 38.000 0.026 0.000 1.264 144 I HN 0.442 nan 8.210 nan 0.000 0.438 145 P HA 0.177 nan 4.420 nan 0.000 0.232 145 P C 0.219 177.566 177.300 0.078 0.000 1.738 145 P CA 0.033 63.184 63.100 0.085 0.000 0.948 145 P CB -0.272 31.463 31.700 0.060 0.000 1.943 146 I N 0.524 121.146 120.570 0.087 0.000 2.948 146 I HA -0.050 4.121 4.170 0.001 0.000 0.290 146 I C 0.398 176.580 176.117 0.108 0.000 1.226 146 I CA 0.065 61.408 61.300 0.071 0.000 1.413 146 I CB 0.548 38.575 38.000 0.046 0.000 1.352 146 I HN 0.002 nan 8.210 nan 0.000 0.597 147 D N 4.869 125.322 120.400 0.087 0.000 2.423 147 D HA 0.420 5.061 4.640 0.001 0.000 0.238 147 D C 0.353 176.789 176.300 0.228 0.000 1.142 147 D CA 1.425 55.493 54.000 0.113 0.000 0.884 147 D CB 0.776 41.622 40.800 0.076 0.000 1.199 147 D HN 0.927 nan 8.370 nan 0.000 0.438 148 G N 2.102 111.023 108.800 0.201 0.000 2.685 148 G HA2 -0.185 3.775 3.960 0.001 0.000 0.387 148 G HA3 -0.185 3.775 3.960 0.001 0.000 0.387 148 G C -0.745 174.210 174.900 0.092 0.000 1.324 148 G CA -0.753 44.484 45.100 0.228 0.000 0.878 148 G HN 0.489 nan 8.290 nan 0.000 0.527 149 D N 1.016 121.261 120.400 -0.257 0.000 2.688 149 D HA 0.479 5.120 4.640 0.001 0.000 0.228 149 D C -0.130 175.735 176.300 -0.724 0.000 1.116 149 D CA 0.900 54.662 54.000 -0.397 0.000 1.023 149 D CB -0.537 40.040 40.800 -0.372 0.000 1.100 149 D HN 0.273 nan 8.370 nan 0.000 0.487 150 F N 0.299 120.291 119.950 0.069 0.000 2.599 150 F HA 0.387 4.913 4.527 -0.001 0.000 0.311 150 F C -0.276 175.637 175.800 0.187 0.000 1.076 150 F CA -1.460 56.598 58.000 0.096 0.000 0.937 150 F CB 1.546 40.575 39.000 0.048 0.000 1.282 150 F HN -0.151 nan 8.300 nan 0.000 0.460 151 F N 2.046 122.130 119.950 0.223 0.000 2.411 151 F HA 0.670 5.197 4.527 0.001 0.000 0.352 151 F C -0.458 175.445 175.800 0.171 0.000 1.123 151 F CA -1.065 57.041 58.000 0.176 0.000 1.044 151 F CB 1.118 40.215 39.000 0.162 0.000 1.135 151 F HN 0.274 nan 8.300 nan 0.000 0.461 152 S N 6.714 122.379 115.700 -0.058 0.000 2.532 152 S HA 0.790 5.261 4.470 0.001 0.000 0.299 152 S C -1.495 172.936 174.600 -0.281 0.000 1.105 152 S CA -0.310 57.727 58.200 -0.272 0.000 1.018 152 S CB 0.652 63.785 63.200 -0.112 0.000 1.021 152 S HN 0.689 nan 8.310 nan 0.000 0.483 153 Y N 0.088 120.141 120.300 -0.413 0.000 2.655 153 Y HA 0.788 5.339 4.550 0.002 0.000 0.336 153 Y C -0.620 175.174 175.900 -0.177 0.000 1.154 153 Y CA -1.064 56.866 58.100 -0.285 0.000 1.055 153 Y CB 0.844 39.087 38.460 -0.361 0.000 1.295 153 Y HN 0.525 nan 8.280 nan 0.000 0.465 154 T N -0.308 114.299 114.554 0.087 0.000 2.841 154 T HA 0.677 5.028 4.350 0.001 0.000 0.283 154 T C -0.838 173.943 174.700 0.135 0.000 1.000 154 T CA -1.045 61.086 62.100 0.052 0.000 0.977 154 T CB 1.670 70.573 68.868 0.059 0.000 0.979 154 T HN 0.801 nan 8.240 nan 0.000 0.446 155 R N 1.416 122.004 120.500 0.146 0.000 2.312 155 R HA 0.317 4.658 4.340 0.001 0.000 0.311 155 R C -0.262 176.182 176.300 0.239 0.000 1.004 155 R CA -0.647 55.545 56.100 0.153 0.000 0.902 155 R CB 0.810 31.198 30.300 0.148 0.000 1.073 155 R HN 0.727 nan 8.270 nan 0.000 0.457 156 H N 2.573 121.672 119.070 0.047 0.000 2.787 156 H HA 0.116 4.673 4.556 0.001 0.000 0.275 156 H C -0.242 175.144 175.328 0.096 0.000 1.183 156 H CA -0.402 55.681 56.048 0.058 0.000 1.290 156 H CB 0.829 30.604 29.762 0.020 0.000 1.438 156 H HN 0.425 nan 8.280 nan 0.000 0.487 157 E N 3.976 124.296 120.200 0.199 0.000 2.254 157 E HA 0.249 4.599 4.350 0.001 0.000 0.261 157 E C -2.430 174.289 176.600 0.197 0.000 1.051 157 E CA -2.256 54.247 56.400 0.172 0.000 0.902 157 E CB 0.838 30.626 29.700 0.147 0.000 1.168 157 E HN 0.374 nan 8.360 nan 0.000 0.423 158 P HA -0.039 nan 4.420 nan 0.000 0.274 158 P C 0.516 177.958 177.300 0.236 0.000 1.237 158 P CA -0.166 63.106 63.100 0.287 0.000 0.793 158 P CB 0.741 32.720 31.700 0.465 0.000 0.977 159 V N 1.089 121.074 119.914 0.117 0.000 2.667 159 V HA 0.127 4.248 4.120 0.001 0.000 0.252 159 V C 0.993 177.028 176.094 -0.098 0.000 1.065 159 V CA 2.551 64.867 62.300 0.026 0.000 1.083 159 V CB -1.093 30.717 31.823 -0.021 0.000 0.692 159 V HN 0.955 nan 8.190 nan 0.000 0.468 160 G N -0.751 107.840 108.800 -0.347 0.000 2.348 160 G HA2 -0.124 3.837 3.960 0.001 0.000 0.199 160 G HA3 -0.124 3.837 3.960 0.001 0.000 0.199 160 G C -0.488 173.987 174.900 -0.708 0.000 1.235 160 G CA -0.245 44.234 45.100 -1.035 0.000 1.264 160 G HN 0.634 nan 8.290 nan 0.000 0.543 161 V N 1.150 120.791 119.914 -0.455 0.000 2.427 161 V HA 0.419 4.539 4.120 0.001 0.000 0.268 161 V C 0.455 176.473 176.094 -0.126 0.000 1.046 161 V CA -0.181 61.977 62.300 -0.237 0.000 0.970 161 V CB 0.300 32.024 31.823 -0.164 0.000 1.001 161 V HN 0.843 nan 8.190 nan 0.000 0.476 162 C N 4.760 124.025 119.300 -0.059 0.000 2.281 162 C HA 0.700 5.161 4.460 0.001 0.000 0.325 162 C C 1.071 176.073 174.990 0.021 0.000 1.282 162 C CA -0.957 58.071 59.018 0.016 0.000 1.640 162 C CB 0.335 28.170 27.740 0.159 0.000 2.288 162 C HN 1.008 nan 8.230 nan 0.000 0.507 163 G N 2.810 111.621 108.800 0.018 0.000 2.370 163 G HA2 0.512 4.473 3.960 0.001 0.000 0.272 163 G HA3 0.512 4.473 3.960 0.001 0.000 0.272 163 G C -0.776 174.168 174.900 0.073 0.000 1.208 163 G CA -0.121 44.999 45.100 0.033 0.000 0.856 163 G HN 0.817 nan 8.290 nan 0.000 0.500 164 Q N 1.639 121.484 119.800 0.075 0.000 2.303 164 Q HA 0.363 4.704 4.340 0.001 0.000 0.267 164 Q C -0.883 175.165 176.000 0.079 0.000 1.011 164 Q CA -0.406 55.451 55.803 0.091 0.000 0.740 164 Q CB 2.578 31.366 28.738 0.083 0.000 1.250 164 Q HN 0.522 nan 8.270 nan 0.000 0.458 165 I N 4.892 125.519 120.570 0.095 0.000 2.330 165 I HA 0.416 4.587 4.170 0.001 0.000 0.289 165 I C 0.015 176.091 176.117 -0.068 0.000 1.001 165 I CA -0.720 60.623 61.300 0.072 0.000 1.193 165 I CB 0.748 38.888 38.000 0.234 0.000 1.345 165 I HN 0.508 nan 8.210 nan 0.000 0.461 166 I N 4.926 125.458 120.570 -0.063 0.000 2.750 166 I HA 0.747 4.918 4.170 0.001 0.000 0.308 166 I C -2.640 173.393 176.117 -0.141 0.000 1.016 166 I CA -2.324 58.905 61.300 -0.118 0.000 1.098 166 I CB 1.410 39.374 38.000 -0.060 0.000 1.279 166 I HN 0.202 nan 8.210 nan 0.000 0.454 167 P HA 0.202 nan 4.420 nan 0.000 0.297 167 P C -0.091 177.121 177.300 -0.147 0.000 1.307 167 P CA -0.402 62.536 63.100 -0.271 0.000 0.773 167 P CB 0.330 31.770 31.700 -0.433 0.000 1.265 168 W N 0.026 121.309 121.300 -0.028 0.000 3.114 168 W HA 0.062 4.723 4.660 0.001 0.000 0.279 168 W C 0.776 177.238 176.519 -0.095 0.000 1.277 168 W CA 0.262 57.579 57.345 -0.046 0.000 1.630 168 W CB -1.430 28.009 29.460 -0.035 0.000 1.087 168 W HN 0.228 nan 8.180 nan 0.000 0.637 169 N N 2.206 120.702 118.700 -0.341 0.000 2.188 169 N HA -0.177 4.564 4.740 0.001 0.000 0.184 169 N C -0.059 175.085 175.510 -0.610 0.000 1.018 169 N CA 0.899 53.698 53.050 -0.419 0.000 0.858 169 N CB -1.195 36.923 38.487 -0.616 0.000 0.989 169 N HN 0.085 nan 8.380 nan 0.000 0.426 170 F N -0.076 119.752 119.950 -0.203 0.000 2.622 170 F HA 0.453 4.981 4.527 0.001 0.000 0.338 170 F C -1.762 173.924 175.800 -0.191 0.000 1.334 170 F CA -2.163 55.706 58.000 -0.218 0.000 1.179 170 F CB 2.114 40.900 39.000 -0.357 0.000 1.471 170 F HN -0.140 nan 8.300 nan 0.000 0.576 171 P HA -0.193 nan 4.420 nan 0.000 0.214 171 P C 1.884 179.182 177.300 -0.003 0.000 1.163 171 P CA 1.623 64.728 63.100 0.009 0.000 0.889 171 P CB 0.421 32.138 31.700 0.028 0.000 0.790 172 L N -1.935 119.291 121.223 0.005 0.000 2.072 172 L HA -0.122 4.218 4.340 0.001 0.000 0.205 172 L C 2.403 179.252 176.870 -0.035 0.000 1.079 172 L CA 0.826 55.669 54.840 0.005 0.000 0.752 172 L CB -0.915 41.159 42.059 0.026 0.000 0.906 172 L HN -0.034 nan 8.230 nan 0.000 0.436 173 L N -0.732 120.439 121.223 -0.086 0.000 2.083 173 L HA -0.191 4.150 4.340 0.001 0.000 0.209 173 L C 2.418 179.037 176.870 -0.417 0.000 1.083 173 L CA 1.778 56.474 54.840 -0.240 0.000 0.752 173 L CB -0.389 41.441 42.059 -0.381 0.000 0.899 173 L HN 0.181 nan 8.230 nan 0.000 0.433 174 M N -1.095 118.289 119.600 -0.360 0.000 2.229 174 M HA -0.194 4.287 4.480 0.001 0.000 0.264 174 M C 2.224 178.476 176.300 -0.079 0.000 1.063 174 M CA 1.384 56.505 55.300 -0.299 0.000 1.114 174 M CB -1.150 31.323 32.600 -0.211 0.000 1.387 174 M HN 0.487 nan 8.290 nan 0.000 0.420 175 Q N -0.063 119.707 119.800 -0.049 0.000 2.084 175 Q HA -0.125 4.216 4.340 0.001 0.000 0.202 175 Q C 2.014 178.032 176.000 0.029 0.000 0.978 175 Q CA 1.907 57.706 55.803 -0.006 0.000 0.844 175 Q CB 0.039 28.773 28.738 -0.007 0.000 0.898 175 Q HN 0.488 nan 8.270 nan 0.000 0.426 176 A N -0.149 122.707 122.820 0.060 0.000 1.898 176 A HA -0.170 4.151 4.320 0.001 0.000 0.216 176 A C 1.501 179.244 177.584 0.266 0.000 1.181 176 A CA 1.132 53.255 52.037 0.144 0.000 0.620 176 A CB -1.053 18.053 19.000 0.177 0.000 0.819 176 A HN 0.601 nan 8.150 nan 0.000 0.442 177 W N 0.593 121.894 121.300 0.002 0.000 2.364 177 W HA -0.060 4.600 4.660 0.001 0.000 0.281 177 W C 2.080 178.569 176.519 -0.049 0.000 1.219 177 W CA 1.304 58.657 57.345 0.014 0.000 1.220 177 W CB -0.177 29.289 29.460 0.011 0.000 1.127 177 W HN 0.257 nan 8.180 nan 0.000 0.556 178 K N -0.382 120.114 120.400 0.161 0.000 2.099 178 K HA 0.084 4.405 4.320 0.001 0.000 0.203 178 K C 2.049 178.562 176.600 -0.145 0.000 1.047 178 K CA 0.727 57.030 56.287 0.025 0.000 0.963 178 K CB -0.973 31.562 32.500 0.058 0.000 0.759 178 K HN 0.208 nan 8.250 nan 0.000 0.451 179 L N 0.570 121.734 121.223 -0.100 0.000 2.093 179 L HA -0.069 4.272 4.340 0.001 0.000 0.208 179 L C 2.489 179.252 176.870 -0.179 0.000 1.085 179 L CA 1.199 55.946 54.840 -0.154 0.000 0.755 179 L CB -1.054 40.927 42.059 -0.129 0.000 0.904 179 L HN 0.271 nan 8.230 nan 0.000 0.435 180 G N 1.305 110.025 108.800 -0.132 0.000 2.628 180 G HA2 -0.244 3.717 3.960 0.001 0.000 0.217 180 G HA3 -0.244 3.717 3.960 0.001 0.000 0.217 180 G C -0.727 173.904 174.900 -0.449 0.000 1.240 180 G CA 1.044 46.071 45.100 -0.122 0.000 0.792 180 G HN 0.318 nan 8.290 nan 0.000 0.593 181 P HA 0.020 nan 4.420 nan 0.000 0.215 181 P C 2.172 179.064 177.300 -0.680 0.000 1.157 181 P CA 2.080 64.593 63.100 -0.978 0.000 0.859 181 P CB -0.261 30.866 31.700 -0.956 0.000 0.786 182 A N -0.193 122.094 122.820 -0.889 0.000 1.883 182 A HA -0.161 4.160 4.320 0.001 0.000 0.217 182 A C 2.297 179.797 177.584 -0.140 0.000 1.186 182 A CA 1.598 53.217 52.037 -0.697 0.000 0.624 182 A CB -1.694 16.934 19.000 -0.621 0.000 0.822 182 A HN 0.108 nan 8.150 nan 0.000 0.444 183 L N -1.029 120.165 121.223 -0.049 0.000 2.109 183 L HA -0.115 4.226 4.340 0.001 0.000 0.207 183 L C 3.089 180.140 176.870 0.301 0.000 1.086 183 L CA 0.846 55.843 54.840 0.261 0.000 0.760 183 L CB -0.640 41.543 42.059 0.205 0.000 0.910 183 L HN 0.436 nan 8.230 nan 0.000 0.437 184 A N 0.394 123.295 122.820 0.135 0.000 1.948 184 A HA -0.225 4.096 4.320 0.001 0.000 0.220 184 A C 2.246 179.896 177.584 0.111 0.000 1.177 184 A CA 2.384 54.510 52.037 0.149 0.000 0.636 184 A CB -0.890 18.208 19.000 0.163 0.000 0.815 184 A HN 0.522 nan 8.150 nan 0.000 0.449 185 T N -4.699 109.897 114.554 0.070 0.000 3.122 185 T HA 0.433 4.784 4.350 0.001 0.000 0.250 185 T C 1.188 175.964 174.700 0.126 0.000 1.067 185 T CA 0.979 63.134 62.100 0.091 0.000 0.966 185 T CB 0.160 69.074 68.868 0.076 0.000 1.002 185 T HN 1.752 nan 8.240 nan 0.000 0.542 186 G N 1.472 110.368 108.800 0.160 0.000 2.132 186 G HA2 -0.221 3.739 3.960 0.001 0.000 0.234 186 G HA3 -0.221 3.739 3.960 0.001 0.000 0.234 186 G C -0.091 175.112 174.900 0.504 0.000 0.989 186 G CA -0.356 44.806 45.100 0.104 0.000 0.676 186 G HN 0.578 nan 8.290 nan 0.000 0.522 187 N N -0.441 118.552 118.700 0.488 0.000 2.408 187 N HA 0.578 5.319 4.740 0.001 0.000 0.260 187 N C 0.563 176.340 175.510 0.445 0.000 1.242 187 N CA 0.531 53.809 53.050 0.380 0.000 0.959 187 N CB 1.915 40.515 38.487 0.189 0.000 1.201 187 N HN 0.722 nan 8.380 nan 0.000 0.511 188 V N -2.039 117.975 119.914 0.166 0.000 2.919 188 V HA 0.731 4.852 4.120 0.001 0.000 0.316 188 V C -0.166 175.908 176.094 -0.034 0.000 1.077 188 V CA -0.727 61.597 62.300 0.039 0.000 0.977 188 V CB 1.736 33.594 31.823 0.059 0.000 1.039 188 V HN 0.243 nan 8.190 nan 0.000 0.441 189 V N 2.698 122.572 119.914 -0.066 0.000 2.656 189 V HA 0.557 4.678 4.120 0.001 0.000 0.307 189 V C -0.515 175.551 176.094 -0.047 0.000 1.051 189 V CA -0.485 61.785 62.300 -0.050 0.000 0.893 189 V CB 2.126 33.909 31.823 -0.066 0.000 0.999 189 V HN 0.815 nan 8.190 nan 0.000 0.426 190 V N 5.688 125.583 119.914 -0.032 0.000 2.350 190 V HA 0.490 4.610 4.120 0.001 0.000 0.285 190 V C -0.123 175.976 176.094 0.008 0.000 1.014 190 V CA -0.286 62.001 62.300 -0.022 0.000 0.831 190 V CB 1.391 33.185 31.823 -0.048 0.000 1.000 190 V HN 0.897 nan 8.190 nan 0.000 0.433 191 M N 5.038 124.650 119.600 0.020 0.000 2.336 191 M HA 0.581 5.062 4.480 0.001 0.000 0.342 191 M C -0.728 175.605 176.300 0.055 0.000 1.128 191 M CA -0.535 54.785 55.300 0.034 0.000 1.016 191 M CB 1.455 34.065 32.600 0.017 0.000 1.665 191 M HN 0.411 nan 8.290 nan 0.000 0.445 192 K N 4.817 125.255 120.400 0.063 0.000 2.307 192 K HA 0.496 4.817 4.320 0.001 0.000 0.263 192 K C -1.410 175.230 176.600 0.065 0.000 0.973 192 K CA -0.396 55.935 56.287 0.075 0.000 0.846 192 K CB 1.260 33.811 32.500 0.085 0.000 1.100 192 K HN 0.669 nan 8.250 nan 0.000 0.438 193 V N 0.590 120.549 119.914 0.075 0.000 2.713 193 V HA 0.700 4.820 4.120 0.001 0.000 0.307 193 V C 0.357 176.492 176.094 0.068 0.000 1.052 193 V CA -1.341 61.001 62.300 0.070 0.000 0.967 193 V CB 1.269 33.146 31.823 0.090 0.000 1.019 193 V HN 0.745 nan 8.190 nan 0.000 0.459 194 A N 2.373 125.240 122.820 0.078 0.000 2.520 194 A HA 0.230 4.551 4.320 0.001 0.000 0.245 194 A C 1.299 178.920 177.584 0.061 0.000 1.072 194 A CA 0.446 52.541 52.037 0.097 0.000 0.761 194 A CB -0.165 18.971 19.000 0.227 0.000 1.004 194 A HN 1.188 nan 8.150 nan 0.000 0.499 195 E N 1.971 122.119 120.200 -0.087 0.000 2.209 195 E HA -0.299 4.051 4.350 0.001 0.000 0.196 195 E C 1.087 177.726 176.600 0.065 0.000 0.993 195 E CA 1.733 58.036 56.400 -0.162 0.000 0.819 195 E CB -0.211 28.977 29.700 -0.854 0.000 0.745 195 E HN 0.830 nan 8.360 nan 0.000 0.477 196 Q N 0.593 120.391 119.800 -0.004 0.000 2.297 196 Q HA -0.019 4.322 4.340 0.001 0.000 0.204 196 Q C 0.620 176.632 176.000 0.020 0.000 0.962 196 Q CA 1.723 57.499 55.803 -0.045 0.000 0.879 196 Q CB 0.514 29.101 28.738 -0.252 0.000 0.947 196 Q HN 0.486 nan 8.270 nan 0.000 0.462 197 T N -4.619 109.986 114.554 0.085 0.000 3.954 197 T HA 0.302 4.653 4.350 0.001 0.000 0.226 197 T C -2.628 172.124 174.700 0.087 0.000 1.049 197 T CA -1.208 60.939 62.100 0.078 0.000 1.481 197 T CB 0.833 69.763 68.868 0.104 0.000 0.853 197 T HN -0.114 nan 8.240 nan 0.000 0.632 198 P HA 0.214 nan 4.420 nan 0.000 0.224 198 P C 1.660 179.012 177.300 0.087 0.000 1.157 198 P CA 0.051 63.216 63.100 0.109 0.000 0.799 198 P CB 0.205 31.984 31.700 0.131 0.000 0.809 199 L N -0.215 121.040 121.223 0.054 0.000 1.994 199 L HA -0.149 4.192 4.340 0.001 0.000 0.208 199 L C 2.561 179.496 176.870 0.108 0.000 1.071 199 L CA 2.488 57.361 54.840 0.055 0.000 0.745 199 L CB -2.008 40.055 42.059 0.007 0.000 0.892 199 L HN 0.102 nan 8.230 nan 0.000 0.431 200 T N -1.991 112.614 114.554 0.084 0.000 2.788 200 T HA -0.149 4.202 4.350 0.001 0.000 0.268 200 T C 1.935 176.731 174.700 0.161 0.000 1.044 200 T CA 1.015 63.187 62.100 0.119 0.000 1.139 200 T CB -0.469 68.436 68.868 0.062 0.000 0.867 200 T HN 0.332 nan 8.240 nan 0.000 0.454 201 A N 1.393 124.282 122.820 0.115 0.000 1.969 201 A HA 0.217 4.538 4.320 0.001 0.000 0.218 201 A C 2.407 180.059 177.584 0.113 0.000 1.169 201 A CA 1.042 53.134 52.037 0.092 0.000 0.635 201 A CB -0.792 18.250 19.000 0.070 0.000 0.810 201 A HN 0.544 nan 8.150 nan 0.000 0.445 202 L N -2.423 118.908 121.223 0.180 0.000 2.179 202 L HA -0.109 4.232 4.340 0.001 0.000 0.208 202 L C 2.506 179.558 176.870 0.304 0.000 1.096 202 L CA 1.217 56.233 54.840 0.292 0.000 0.779 202 L CB -0.492 41.729 42.059 0.270 0.000 0.922 202 L HN 0.572 nan 8.230 nan 0.000 0.443 203 Y N 0.295 120.688 120.300 0.154 0.000 2.242 203 Y HA -0.194 4.357 4.550 0.001 0.000 0.291 203 Y C 2.343 178.317 175.900 0.124 0.000 1.137 203 Y CA 1.324 59.531 58.100 0.179 0.000 1.181 203 Y CB -0.124 38.494 38.460 0.263 0.000 0.989 203 Y HN -0.162 nan 8.280 nan 0.000 0.527 204 V N 0.392 120.375 119.914 0.115 0.000 2.594 204 V HA -0.311 3.810 4.120 0.001 0.000 0.253 204 V C 2.571 178.546 176.094 -0.198 0.000 1.069 204 V CA 1.471 63.756 62.300 -0.024 0.000 1.082 204 V CB -1.476 30.363 31.823 0.027 0.000 0.680 204 V HN 0.571 nan 8.190 nan 0.000 0.469 205 A N 0.321 122.968 122.820 -0.289 0.000 1.902 205 A HA -0.239 4.082 4.320 0.001 0.000 0.217 205 A C 2.090 179.277 177.584 -0.662 0.000 1.181 205 A CA 2.035 53.607 52.037 -0.775 0.000 0.623 205 A CB -0.696 17.488 19.000 -1.360 0.000 0.818 205 A HN 0.546 nan 8.150 nan 0.000 0.443 206 N N 0.231 118.777 118.700 -0.256 0.000 2.061 206 N HA -0.138 4.603 4.740 0.001 0.000 0.193 206 N C 1.568 176.980 175.510 -0.164 0.000 1.030 206 N CA 1.617 54.606 53.050 -0.103 0.000 0.856 206 N CB -0.447 37.929 38.487 -0.184 0.000 1.023 206 N HN 0.532 nan 8.380 nan 0.000 0.424 207 L N -0.055 121.022 121.223 -0.243 0.000 2.093 207 L HA -0.063 4.278 4.340 0.001 0.000 0.208 207 L C 2.079 178.935 176.870 -0.024 0.000 1.085 207 L CA 0.640 55.406 54.840 -0.123 0.000 0.755 207 L CB -0.385 41.620 42.059 -0.090 0.000 0.904 207 L HN 0.168 nan 8.230 nan 0.000 0.435 208 I N 0.385 120.908 120.570 -0.080 0.000 2.127 208 I HA -0.351 3.820 4.170 0.001 0.000 0.241 208 I C 2.782 178.997 176.117 0.163 0.000 1.075 208 I CA 1.553 62.849 61.300 -0.008 0.000 1.334 208 I CB -0.309 37.548 38.000 -0.238 0.000 1.040 208 I HN 0.266 nan 8.210 nan 0.000 0.405 209 K N 1.168 121.637 120.400 0.114 0.000 2.044 209 K HA -0.293 4.028 4.320 0.001 0.000 0.210 209 K C 2.096 178.766 176.600 0.117 0.000 1.049 209 K CA 2.087 58.475 56.287 0.167 0.000 0.927 209 K CB -0.195 32.427 32.500 0.203 0.000 0.713 209 K HN 0.284 nan 8.250 nan 0.000 0.443 210 E N -0.459 119.786 120.200 0.075 0.000 2.204 210 E HA -0.167 4.184 4.350 0.001 0.000 0.195 210 E C 1.474 178.113 176.600 0.065 0.000 0.990 210 E CA 0.936 57.367 56.400 0.052 0.000 0.821 210 E CB -0.063 29.646 29.700 0.014 0.000 0.750 210 E HN 0.482 nan 8.360 nan 0.000 0.477 211 A N -0.158 122.728 122.820 0.110 0.000 2.123 211 A HA 0.211 4.532 4.320 0.001 0.000 0.214 211 A C 1.728 179.316 177.584 0.008 0.000 1.152 211 A CA 0.986 53.081 52.037 0.095 0.000 0.728 211 A CB -0.143 18.989 19.000 0.220 0.000 0.814 211 A HN 0.461 nan 8.150 nan 0.000 0.464 212 G N -2.097 106.736 108.800 0.056 0.000 2.138 212 G HA2 -0.187 3.774 3.960 0.001 0.000 0.193 212 G HA3 -0.187 3.774 3.960 0.001 0.000 0.193 212 G C -0.094 174.790 174.900 -0.028 0.000 0.998 212 G CA -0.229 44.875 45.100 0.007 0.000 0.668 212 G HN 0.262 nan 8.290 nan 0.000 0.516 213 F N 1.641 121.601 119.950 0.016 0.000 2.543 213 F HA 0.403 4.930 4.527 0.001 0.000 0.375 213 F C -1.100 174.666 175.800 -0.055 0.000 1.075 213 F CA -1.573 56.396 58.000 -0.051 0.000 1.225 213 F CB 0.455 39.357 39.000 -0.163 0.000 1.099 213 F HN -0.094 nan 8.300 nan 0.000 0.561 214 P HA -0.024 nan 4.420 nan 0.000 0.266 214 P C -2.414 174.889 177.300 0.006 0.000 1.193 214 P CA -0.747 62.395 63.100 0.070 0.000 0.770 214 P CB -0.197 31.582 31.700 0.131 0.000 0.836 215 P HA 0.006 nan 4.420 nan 0.000 0.268 215 P C 0.839 178.094 177.300 -0.075 0.000 1.205 215 P CA 0.835 63.897 63.100 -0.063 0.000 0.771 215 P CB 0.332 31.992 31.700 -0.066 0.000 0.858 216 G N 1.413 110.142 108.800 -0.118 0.000 2.195 216 G HA2 -0.288 3.673 3.960 0.001 0.000 0.246 216 G HA3 -0.288 3.673 3.960 0.001 0.000 0.246 216 G C 0.826 175.656 174.900 -0.117 0.000 0.984 216 G CA 0.184 45.224 45.100 -0.101 0.000 0.633 216 G HN 0.385 nan 8.290 nan 0.000 0.525 217 V N -0.197 119.601 119.914 -0.194 0.000 2.453 217 V HA 0.136 4.257 4.120 0.001 0.000 0.247 217 V C 1.354 177.286 176.094 -0.271 0.000 1.048 217 V CA 1.893 63.970 62.300 -0.372 0.000 1.049 217 V CB 0.335 31.701 31.823 -0.761 0.000 0.672 217 V HN 0.375 nan 8.190 nan 0.000 0.457 218 V N 1.959 121.767 119.914 -0.178 0.000 2.443 218 V HA 0.449 4.570 4.120 0.001 0.000 0.293 218 V C -0.821 175.309 176.094 0.060 0.000 1.021 218 V CA -0.780 61.458 62.300 -0.104 0.000 0.848 218 V CB 1.603 33.314 31.823 -0.186 0.000 0.998 218 V HN 0.436 nan 8.190 nan 0.000 0.424 219 N N 5.624 124.345 118.700 0.034 0.000 2.321 219 N HA 0.657 5.398 4.740 0.001 0.000 0.299 219 N C -1.204 174.365 175.510 0.099 0.000 1.048 219 N CA -0.495 52.604 53.050 0.082 0.000 0.836 219 N CB 3.087 41.556 38.487 -0.031 0.000 1.269 219 N HN 0.469 nan 8.380 nan 0.000 0.486 220 I N 1.621 122.295 120.570 0.173 0.000 2.436 220 I HA 0.313 4.484 4.170 0.001 0.000 0.289 220 I C -0.556 175.660 176.117 0.165 0.000 1.010 220 I CA -0.975 60.407 61.300 0.137 0.000 1.098 220 I CB 2.131 40.202 38.000 0.118 0.000 1.266 220 I HN 0.068 nan 8.210 nan 0.000 0.434 221 V N 7.802 127.796 119.914 0.133 0.000 2.325 221 V HA 0.305 4.426 4.120 0.001 0.000 0.280 221 V C -2.179 174.012 176.094 0.161 0.000 1.016 221 V CA -1.585 60.803 62.300 0.148 0.000 0.818 221 V CB 1.301 33.187 31.823 0.105 0.000 1.019 221 V HN 0.562 nan 8.190 nan 0.000 0.434 222 P HA 0.574 nan 4.420 nan 0.000 0.275 222 P C 0.185 177.632 177.300 0.244 0.000 1.228 222 P CA 0.484 63.727 63.100 0.239 0.000 0.786 222 P CB 2.156 34.039 31.700 0.305 0.000 0.927 223 G N 0.945 109.795 108.800 0.083 0.000 2.360 223 G HA2 0.335 4.296 3.960 0.001 0.000 0.276 223 G HA3 0.335 4.296 3.960 0.001 0.000 0.276 223 G C -1.714 172.964 174.900 -0.371 0.000 1.256 223 G CA -0.697 44.355 45.100 -0.080 0.000 0.890 223 G HN 0.271 nan 8.290 nan 0.000 0.486 224 F N 0.185 120.035 119.950 -0.166 0.000 2.410 224 F HA 0.607 5.135 4.527 0.001 0.000 0.324 224 F C 1.763 177.543 175.800 -0.033 0.000 1.093 224 F CA 0.726 58.643 58.000 -0.139 0.000 1.028 224 F CB 1.474 40.387 39.000 -0.145 0.000 1.309 224 F HN 0.642 nan 8.300 nan 0.000 0.499 225 G N 0.167 109.093 108.800 0.210 0.000 2.454 225 G HA2 -0.066 3.895 3.960 0.001 0.000 0.214 225 G HA3 -0.066 3.895 3.960 0.001 0.000 0.214 225 G C -1.142 173.829 174.900 0.119 0.000 1.217 225 G CA 0.454 45.645 45.100 0.151 0.000 0.799 225 G HN 0.459 nan 8.290 nan 0.000 0.538 226 P HA 0.033 nan 4.420 nan 0.000 0.236 226 P C 1.313 178.645 177.300 0.052 0.000 1.172 226 P CA 1.674 64.807 63.100 0.054 0.000 0.759 226 P CB 0.117 31.834 31.700 0.027 0.000 0.843 227 T N -3.652 110.954 114.554 0.087 0.000 3.556 227 T HA 0.328 4.678 4.350 0.001 0.000 0.204 227 T C 1.880 176.634 174.700 0.089 0.000 0.896 227 T CA 0.463 62.611 62.100 0.081 0.000 1.380 227 T CB -1.025 67.901 68.868 0.097 0.000 1.584 227 T HN -0.140 nan 8.240 nan 0.000 0.411 228 A N 1.798 124.683 122.820 0.110 0.000 1.865 228 A HA 0.181 4.501 4.320 0.001 0.000 0.217 228 A C 2.609 180.249 177.584 0.094 0.000 1.191 228 A CA 2.175 54.273 52.037 0.100 0.000 0.623 228 A CB -1.807 17.256 19.000 0.105 0.000 0.826 228 A HN 0.697 nan 8.150 nan 0.000 0.444 229 G N -0.681 108.179 108.800 0.100 0.000 2.440 229 G HA2 -0.022 3.939 3.960 0.001 0.000 0.218 229 G HA3 -0.022 3.939 3.960 0.001 0.000 0.218 229 G C 1.732 176.682 174.900 0.082 0.000 1.154 229 G CA 1.602 46.766 45.100 0.107 0.000 0.767 229 G HN 0.850 nan 8.290 nan 0.000 0.552 230 A N 1.110 123.969 122.820 0.065 0.000 1.898 230 A HA 0.329 4.650 4.320 0.001 0.000 0.216 230 A C 2.815 180.428 177.584 0.049 0.000 1.181 230 A CA 2.094 54.155 52.037 0.039 0.000 0.620 230 A CB -0.756 18.261 19.000 0.028 0.000 0.819 230 A HN 0.795 nan 8.150 nan 0.000 0.442 231 A N -0.072 122.788 122.820 0.067 0.000 1.933 231 A HA -0.087 4.234 4.320 0.001 0.000 0.218 231 A C 2.104 179.765 177.584 0.128 0.000 1.175 231 A CA 1.528 53.618 52.037 0.089 0.000 0.628 231 A CB -0.569 18.490 19.000 0.099 0.000 0.814 231 A HN 0.516 nan 8.150 nan 0.000 0.444 232 I N -0.465 120.166 120.570 0.102 0.000 2.163 232 I HA -0.242 3.929 4.170 0.001 0.000 0.240 232 I C 2.976 179.146 176.117 0.089 0.000 1.081 232 I CA 1.079 62.434 61.300 0.091 0.000 1.353 232 I CB -0.405 37.637 38.000 0.070 0.000 1.054 232 I HN 0.339 nan 8.210 nan 0.000 0.407 233 A N -0.219 122.639 122.820 0.063 0.000 1.978 233 A HA -0.164 4.157 4.320 0.001 0.000 0.220 233 A C 2.295 179.898 177.584 0.033 0.000 1.170 233 A CA 2.090 54.148 52.037 0.034 0.000 0.636 233 A CB -0.476 18.522 19.000 -0.003 0.000 0.810 233 A HN 0.420 nan 8.150 nan 0.000 0.448 234 S N -1.206 114.520 115.700 0.045 0.000 2.556 234 S HA 0.088 4.559 4.470 0.001 0.000 0.216 234 S C 0.566 175.186 174.600 0.034 0.000 0.970 234 S CA -0.550 57.664 58.200 0.024 0.000 0.912 234 S CB -0.203 62.999 63.200 0.003 0.000 0.790 234 S HN 0.685 nan 8.310 nan 0.000 0.504 235 H N 2.629 121.698 119.070 -0.002 0.000 2.848 235 H HA 0.116 4.672 4.556 0.001 0.000 0.341 235 H C 0.782 176.108 175.328 -0.004 0.000 1.060 235 H CA 0.546 56.594 56.048 -0.000 0.000 1.444 235 H CB 0.694 30.457 29.762 0.003 0.000 1.446 235 H HN 0.118 nan 8.280 nan 0.000 0.583 236 E N 2.905 123.040 120.200 -0.110 0.000 2.427 236 E HA -0.108 4.243 4.350 0.001 0.000 0.196 236 E C 0.562 177.248 176.600 0.143 0.000 1.028 236 E CA 0.676 57.078 56.400 0.004 0.000 0.864 236 E CB 0.287 29.940 29.700 -0.079 0.000 0.813 236 E HN 0.602 nan 8.360 nan 0.000 0.514 237 D N -0.453 120.194 120.400 0.412 0.000 2.431 237 D HA 0.045 4.686 4.640 0.001 0.000 0.213 237 D C -0.598 175.763 176.300 0.102 0.000 1.130 237 D CA -0.011 54.130 54.000 0.235 0.000 0.834 237 D CB 0.720 41.666 40.800 0.244 0.000 0.985 237 D HN -0.216 nan 8.370 nan 0.000 0.504 238 V N 1.673 121.654 119.914 0.111 0.000 2.432 238 V HA 0.150 4.271 4.120 0.001 0.000 0.275 238 V C 0.809 176.904 176.094 0.001 0.000 1.043 238 V CA -0.321 61.977 62.300 -0.004 0.000 0.925 238 V CB 1.709 33.529 31.823 -0.005 0.000 0.985 238 V HN 0.072 nan 8.190 nan 0.000 0.466 239 D N 2.960 123.337 120.400 -0.038 0.000 2.305 239 D HA 0.061 4.702 4.640 0.001 0.000 0.206 239 D C 0.749 177.021 176.300 -0.047 0.000 0.974 239 D CA 0.809 54.785 54.000 -0.041 0.000 0.871 239 D CB 0.597 41.355 40.800 -0.070 0.000 0.947 239 D HN 0.378 nan 8.370 nan 0.000 0.516 240 K N 0.769 121.138 120.400 -0.051 0.000 2.561 240 K HA 0.275 4.595 4.320 0.001 0.000 0.254 240 K C -1.942 174.634 176.600 -0.039 0.000 0.942 240 K CA -0.401 55.845 56.287 -0.068 0.000 0.818 240 K CB 2.423 34.848 32.500 -0.125 0.000 1.306 240 K HN -0.279 nan 8.250 nan 0.000 0.435 241 V N 2.092 121.989 119.914 -0.028 0.000 2.555 241 V HA 0.708 4.829 4.120 0.001 0.000 0.302 241 V C -0.383 175.728 176.094 0.029 0.000 1.038 241 V CA -0.855 61.457 62.300 0.020 0.000 0.887 241 V CB 1.536 33.384 31.823 0.041 0.000 0.991 241 V HN 0.833 nan 8.190 nan 0.000 0.434 242 A N 4.840 127.708 122.820 0.080 0.000 2.304 242 A HA 0.834 5.155 4.320 0.001 0.000 0.314 242 A C -1.226 176.470 177.584 0.187 0.000 1.187 242 A CA -0.376 51.728 52.037 0.113 0.000 0.810 242 A CB 0.714 19.792 19.000 0.130 0.000 1.183 242 A HN 0.840 nan 8.150 nan 0.000 0.487 243 F N 2.592 122.565 119.950 0.039 0.000 2.507 243 F HA 0.620 5.148 4.527 0.001 0.000 0.328 243 F C -0.281 175.547 175.800 0.047 0.000 1.136 243 F CA -0.000 58.023 58.000 0.038 0.000 0.930 243 F CB 1.981 40.995 39.000 0.024 0.000 1.166 243 F HN 0.430 nan 8.300 nan 0.000 0.436 244 T N 4.826 119.008 114.554 -0.620 0.000 2.824 244 T HA 0.834 5.185 4.350 0.001 0.000 0.280 244 T C 0.035 174.114 174.700 -1.035 0.000 0.995 244 T CA -0.138 61.644 62.100 -0.530 0.000 1.009 244 T CB 1.335 70.070 68.868 -0.221 0.000 0.955 244 T HN 1.097 nan 8.240 nan 0.000 0.452 245 G N 1.664 110.093 108.800 -0.618 0.000 2.404 245 G HA2 0.414 4.375 3.960 0.001 0.000 0.253 245 G HA3 0.414 4.375 3.960 0.001 0.000 0.253 245 G C -0.603 174.280 174.900 -0.028 0.000 1.253 245 G CA -0.295 44.554 45.100 -0.417 0.000 0.917 245 G HN 0.939 nan 8.290 nan 0.000 0.480 246 S N -0.709 115.062 115.700 0.118 0.000 2.603 246 S HA 0.501 4.972 4.470 0.001 0.000 0.268 246 S C 1.331 176.048 174.600 0.195 0.000 1.317 246 S CA 0.950 59.201 58.200 0.085 0.000 1.012 246 S CB 1.383 64.612 63.200 0.049 0.000 0.926 246 S HN 0.836 nan 8.310 nan 0.000 0.539 247 T N 0.994 115.643 114.554 0.158 0.000 2.746 247 T HA -0.145 4.206 4.350 0.001 0.000 0.267 247 T C 1.696 176.449 174.700 0.087 0.000 1.039 247 T CA 1.708 63.901 62.100 0.156 0.000 1.142 247 T CB -0.566 68.425 68.868 0.206 0.000 0.866 247 T HN 0.870 nan 8.240 nan 0.000 0.444 248 E N 0.692 120.939 120.200 0.078 0.000 2.070 248 E HA -0.173 4.177 4.350 0.001 0.000 0.197 248 E C 1.984 178.579 176.600 -0.008 0.000 1.004 248 E CA 1.245 57.666 56.400 0.036 0.000 0.805 248 E CB -0.117 29.613 29.700 0.049 0.000 0.744 248 E HN 0.331 nan 8.360 nan 0.000 0.451 249 I N 1.115 121.686 120.570 0.002 0.000 2.617 249 I HA -0.062 4.109 4.170 0.001 0.000 0.256 249 I C 2.583 178.448 176.117 -0.420 0.000 1.167 249 I CA 1.107 62.327 61.300 -0.133 0.000 1.469 249 I CB -1.514 36.494 38.000 0.013 0.000 1.098 249 I HN 0.263 nan 8.210 nan 0.000 0.436 250 G N 1.668 110.321 108.800 -0.246 0.000 2.475 250 G HA2 -0.248 3.712 3.960 0.001 0.000 0.220 250 G HA3 -0.248 3.712 3.960 0.001 0.000 0.220 250 G C 1.807 176.583 174.900 -0.207 0.000 1.125 250 G CA 0.385 45.338 45.100 -0.244 0.000 0.755 250 G HN 0.366 nan 8.290 nan 0.000 0.565 251 R N -0.086 120.333 120.500 -0.135 0.000 2.119 251 R HA 0.073 4.413 4.340 0.001 0.000 0.222 251 R C 2.551 178.779 176.300 -0.120 0.000 1.088 251 R CA 0.860 56.901 56.100 -0.099 0.000 0.984 251 R CB -0.672 29.593 30.300 -0.059 0.000 0.884 251 R HN 0.319 nan 8.270 nan 0.000 0.447 252 V N 2.110 121.934 119.914 -0.151 0.000 2.392 252 V HA -0.244 3.876 4.120 0.001 0.000 0.249 252 V C 2.459 178.456 176.094 -0.163 0.000 1.059 252 V CA 1.509 63.725 62.300 -0.140 0.000 1.051 252 V CB -0.468 31.270 31.823 -0.142 0.000 0.658 252 V HN 0.204 nan 8.190 nan 0.000 0.455 253 I N -0.115 120.299 120.570 -0.259 0.000 2.142 253 I HA -0.274 3.897 4.170 0.001 0.000 0.240 253 I C 2.569 178.611 176.117 -0.126 0.000 1.078 253 I CA 1.927 63.089 61.300 -0.229 0.000 1.343 253 I CB -1.141 36.640 38.000 -0.365 0.000 1.046 253 I HN 0.427 nan 8.210 nan 0.000 0.405 254 Q N 0.613 120.345 119.800 -0.113 0.000 2.124 254 Q HA -0.145 4.195 4.340 0.001 0.000 0.202 254 Q C 2.310 178.274 176.000 -0.059 0.000 0.977 254 Q CA 1.552 57.312 55.803 -0.070 0.000 0.850 254 Q CB 0.175 28.878 28.738 -0.059 0.000 0.901 254 Q HN 0.327 nan 8.270 nan 0.000 0.429 255 V N 0.625 120.500 119.914 -0.065 0.000 2.358 255 V HA -0.247 3.874 4.120 0.001 0.000 0.246 255 V C 2.280 178.347 176.094 -0.045 0.000 1.047 255 V CA 1.720 63.989 62.300 -0.051 0.000 1.035 255 V CB -0.998 30.794 31.823 -0.051 0.000 0.658 255 V HN 0.503 nan 8.190 nan 0.000 0.452 256 A N -0.046 122.743 122.820 -0.052 0.000 1.969 256 A HA -0.047 4.274 4.320 0.001 0.000 0.218 256 A C 2.409 179.976 177.584 -0.029 0.000 1.169 256 A CA 1.883 53.897 52.037 -0.039 0.000 0.635 256 A CB -0.639 18.337 19.000 -0.041 0.000 0.810 256 A HN 0.550 nan 8.150 nan 0.000 0.445 257 A N -0.374 122.426 122.820 -0.033 0.000 1.873 257 A HA 0.139 4.460 4.320 0.001 0.000 0.215 257 A C 2.413 179.982 177.584 -0.024 0.000 1.186 257 A CA 1.871 53.894 52.037 -0.024 0.000 0.616 257 A CB -1.373 17.610 19.000 -0.029 0.000 0.823 257 A HN 0.700 nan 8.150 nan 0.000 0.442 258 G N -0.129 108.654 108.800 -0.029 0.000 2.422 258 G HA2 -0.168 3.793 3.960 0.001 0.000 0.218 258 G HA3 -0.168 3.793 3.960 0.001 0.000 0.218 258 G C 1.917 176.803 174.900 -0.024 0.000 1.146 258 G CA 1.710 46.794 45.100 -0.026 0.000 0.769 258 G HN 0.836 nan 8.290 nan 0.000 0.547 259 S N 0.612 116.297 115.700 -0.025 0.000 2.428 259 S HA -0.010 4.460 4.470 0.001 0.000 0.230 259 S C 2.170 176.757 174.600 -0.022 0.000 1.014 259 S CA 1.322 59.508 58.200 -0.023 0.000 0.957 259 S CB -0.205 62.980 63.200 -0.025 0.000 0.784 259 S HN 0.542 nan 8.310 nan 0.000 0.499 260 S N 3.707 119.395 115.700 -0.020 0.000 2.720 260 S HA 0.127 4.598 4.470 0.001 0.000 0.161 260 S C 1.139 175.731 174.600 -0.014 0.000 0.936 260 S CA 0.245 58.434 58.200 -0.018 0.000 1.419 260 S CB -0.775 62.417 63.200 -0.014 0.000 0.608 260 S HN 0.605 nan 8.310 nan 0.000 0.465 261 N N 1.351 120.048 118.700 -0.006 0.000 2.238 261 N HA 0.226 4.967 4.740 0.001 0.000 0.222 261 N C 0.182 175.689 175.510 -0.005 0.000 1.133 261 N CA -0.087 52.962 53.050 -0.002 0.000 0.854 261 N CB -0.640 37.853 38.487 0.011 0.000 1.041 261 N HN 0.633 nan 8.380 nan 0.000 0.510 262 L N -0.362 120.855 121.223 -0.011 0.000 3.843 262 L HA -0.302 4.038 4.340 0.001 0.000 0.411 262 L C 0.040 176.900 176.870 -0.018 0.000 1.205 262 L CA 0.657 55.487 54.840 -0.016 0.000 0.945 262 L CB -1.782 40.267 42.059 -0.017 0.000 1.929 262 L HN 0.454 nan 8.230 nan 0.000 0.934 263 K N 0.023 120.415 120.400 -0.014 0.000 2.440 263 K HA 0.316 4.637 4.320 0.001 0.000 0.270 263 K C 0.365 176.945 176.600 -0.033 0.000 0.980 263 K CA -0.429 55.847 56.287 -0.020 0.000 0.953 263 K CB 0.394 32.887 32.500 -0.010 0.000 0.925 263 K HN 0.039 nan 8.250 nan 0.000 0.497 264 R N 1.020 121.492 120.500 -0.048 0.000 2.590 264 R HA 0.199 4.540 4.340 0.001 0.000 0.274 264 R C -0.664 175.595 176.300 -0.068 0.000 1.061 264 R CA -0.274 55.786 56.100 -0.065 0.000 1.081 264 R CB 0.920 31.166 30.300 -0.090 0.000 0.984 264 R HN 0.434 nan 8.270 nan 0.000 0.448 265 V N 2.241 122.117 119.914 -0.062 0.000 2.588 265 V HA 0.507 4.628 4.120 0.001 0.000 0.304 265 V C -0.343 175.723 176.094 -0.046 0.000 1.042 265 V CA -0.731 61.542 62.300 -0.045 0.000 0.877 265 V CB 2.096 33.901 31.823 -0.029 0.000 0.996 265 V HN 0.996 nan 8.190 nan 0.000 0.425 266 T N 3.095 117.631 114.554 -0.030 0.000 2.908 266 T HA 0.883 5.234 4.350 0.001 0.000 0.290 266 T C -0.964 173.777 174.700 0.068 0.000 1.034 266 T CA -0.774 61.323 62.100 -0.005 0.000 1.010 266 T CB 1.924 70.770 68.868 -0.036 0.000 1.068 266 T HN 0.382 nan 8.240 nan 0.000 0.481 267 L N 1.028 122.301 121.223 0.084 0.000 2.464 267 L HA 0.624 4.965 4.340 0.001 0.000 0.266 267 L C -0.907 176.044 176.870 0.135 0.000 0.965 267 L CA -0.854 54.080 54.840 0.156 0.000 0.833 267 L CB 2.515 44.660 42.059 0.143 0.000 1.296 267 L HN 0.716 nan 8.230 nan 0.000 0.405 268 E N 3.034 123.326 120.200 0.154 0.000 2.207 268 E HA 0.598 4.948 4.350 0.001 0.000 0.250 268 E C -1.149 175.518 176.600 0.111 0.000 0.890 268 E CA -0.142 56.336 56.400 0.131 0.000 0.749 268 E CB 0.989 30.789 29.700 0.166 0.000 1.193 268 E HN 0.416 nan 8.360 nan 0.000 0.423 269 L N 1.304 122.599 121.223 0.121 0.000 2.755 269 L HA 0.756 5.096 4.340 0.001 0.000 0.243 269 L C 1.209 178.116 176.870 0.061 0.000 1.579 269 L CA -1.172 53.742 54.840 0.123 0.000 1.669 269 L CB 0.190 42.352 42.059 0.173 0.000 2.294 269 L HN 0.515 nan 8.230 nan 0.000 0.588 270 G N -1.551 107.276 108.800 0.046 0.000 2.563 270 G HA2 0.557 4.518 3.960 0.001 0.000 0.283 270 G HA3 0.557 4.518 3.960 0.001 0.000 0.283 270 G C -0.626 174.044 174.900 -0.382 0.000 1.309 270 G CA 0.147 45.146 45.100 -0.168 0.000 1.022 270 G HN 0.778 nan 8.290 nan 0.000 0.501 271 G N -1.812 106.566 108.800 -0.702 0.000 2.682 271 G HA2 0.518 4.479 3.960 0.001 0.000 0.290 271 G HA3 0.518 4.479 3.960 0.001 0.000 0.290 271 G C -1.314 173.182 174.900 -0.673 0.000 1.425 271 G CA -0.635 44.058 45.100 -0.678 0.000 0.807 271 G HN 0.616 nan 8.290 nan 0.000 0.482 272 K N 0.490 120.751 120.400 -0.233 0.000 3.306 272 K HA 0.404 4.725 4.320 0.001 0.000 0.169 272 K C -0.281 176.383 176.600 0.107 0.000 1.110 272 K CA -0.288 55.994 56.287 -0.008 0.000 0.783 272 K CB 0.245 32.834 32.500 0.147 0.000 0.958 272 K HN 0.442 nan 8.250 nan 0.000 0.581 273 S N 3.186 118.961 115.700 0.125 0.000 2.549 273 S HA 0.281 4.752 4.470 0.001 0.000 0.279 273 S C -2.391 172.353 174.600 0.240 0.000 1.321 273 S CA -0.821 57.497 58.200 0.196 0.000 1.054 273 S CB 0.553 63.925 63.200 0.286 0.000 0.899 273 S HN 0.373 nan 8.310 nan 0.000 0.497 274 P HA 0.208 nan 4.420 nan 0.000 0.292 274 P C -1.135 176.375 177.300 0.350 0.000 1.287 274 P CA -0.586 62.717 63.100 0.338 0.000 0.800 274 P CB 0.388 32.239 31.700 0.252 0.000 0.945 275 N N 3.923 122.836 118.700 0.355 0.000 2.511 275 N HA 0.316 5.057 4.740 0.001 0.000 0.249 275 N C -0.751 174.955 175.510 0.327 0.000 0.971 275 N CA -0.615 52.651 53.050 0.359 0.000 0.938 275 N CB 0.428 39.024 38.487 0.182 0.000 1.131 275 N HN 0.322 nan 8.380 nan 0.000 0.505 276 I N 4.908 125.677 120.570 0.332 0.000 2.304 276 I HA 0.269 4.439 4.170 0.001 0.000 0.291 276 I C -0.228 176.095 176.117 0.343 0.000 1.018 276 I CA -0.696 60.765 61.300 0.268 0.000 1.260 276 I CB 1.071 39.121 38.000 0.083 0.000 1.390 276 I HN 0.398 nan 8.210 nan 0.000 0.475 277 I N 7.090 127.847 120.570 0.313 0.000 2.328 277 I HA 0.335 4.506 4.170 0.001 0.000 0.287 277 I C 0.156 176.459 176.117 0.310 0.000 1.012 277 I CA -0.542 60.907 61.300 0.249 0.000 1.195 277 I CB 0.908 38.881 38.000 -0.044 0.000 1.350 277 I HN 0.460 nan 8.210 nan 0.000 0.464 278 M N 3.755 123.546 119.600 0.319 0.000 2.247 278 M HA 0.172 4.653 4.480 0.001 0.000 0.326 278 M C 1.635 178.032 176.300 0.163 0.000 1.134 278 M CA -0.115 55.348 55.300 0.271 0.000 1.136 278 M CB 0.881 33.631 32.600 0.250 0.000 1.454 278 M HN 0.666 nan 8.290 nan 0.000 0.467 279 S N 0.161 115.917 115.700 0.094 0.000 2.469 279 S HA -0.144 4.327 4.470 0.001 0.000 0.238 279 S C 0.702 175.359 174.600 0.094 0.000 0.998 279 S CA 1.327 59.565 58.200 0.063 0.000 0.957 279 S CB -0.543 62.670 63.200 0.022 0.000 0.764 279 S HN 0.748 nan 8.310 nan 0.000 0.514 280 D N 1.207 121.677 120.400 0.116 0.000 2.424 280 D HA 0.434 5.075 4.640 0.001 0.000 0.220 280 D C 0.446 176.838 176.300 0.154 0.000 1.150 280 D CA -0.129 53.940 54.000 0.116 0.000 0.831 280 D CB -0.193 40.664 40.800 0.095 0.000 0.981 280 D HN 0.461 nan 8.370 nan 0.000 0.500 281 A N 0.428 123.367 122.820 0.199 0.000 2.366 281 A HA 0.156 4.477 4.320 0.001 0.000 0.249 281 A C 0.313 178.046 177.584 0.247 0.000 1.084 281 A CA -0.398 51.801 52.037 0.271 0.000 0.794 281 A CB 0.227 19.433 19.000 0.342 0.000 1.034 281 A HN 0.254 nan 8.150 nan 0.000 0.491 282 D N 2.034 122.611 120.400 0.296 0.000 2.346 282 D HA 0.092 4.733 4.640 0.001 0.000 0.260 282 D C 1.049 177.516 176.300 0.278 0.000 1.252 282 D CA -0.216 53.940 54.000 0.261 0.000 0.895 282 D CB 0.539 41.501 40.800 0.271 0.000 1.097 282 D HN 0.502 nan 8.370 nan 0.000 0.489 283 M N 4.522 124.239 119.600 0.196 0.000 2.065 283 M HA -0.203 4.278 4.480 0.001 0.000 0.259 283 M C 1.140 177.507 176.300 0.111 0.000 1.069 283 M CA 1.723 57.119 55.300 0.160 0.000 1.110 283 M CB -0.287 32.379 32.600 0.110 0.000 1.328 283 M HN 0.331 nan 8.290 nan 0.000 0.405 284 D N -0.823 119.648 120.400 0.117 0.000 2.104 284 D HA -0.247 4.394 4.640 0.001 0.000 0.194 284 D C 1.850 178.246 176.300 0.159 0.000 0.994 284 D CA 1.549 55.606 54.000 0.095 0.000 0.830 284 D CB -0.749 40.117 40.800 0.110 0.000 0.959 284 D HN 0.662 nan 8.370 nan 0.000 0.452 285 W N 1.641 122.971 121.300 0.050 0.000 2.355 285 W HA -0.188 4.472 4.660 0.001 0.000 0.309 285 W C 2.214 178.778 176.519 0.075 0.000 1.206 285 W CA 1.555 58.956 57.345 0.093 0.000 1.284 285 W CB -0.078 29.481 29.460 0.164 0.000 1.145 285 W HN -0.026 nan 8.180 nan 0.000 0.502 286 A N 0.343 123.219 122.820 0.093 0.000 1.908 286 A HA -0.204 4.117 4.320 0.001 0.000 0.218 286 A C 2.022 179.481 177.584 -0.207 0.000 1.181 286 A CA 2.265 54.183 52.037 -0.199 0.000 0.627 286 A CB -1.168 17.887 19.000 0.093 0.000 0.818 286 A HN 0.175 nan 8.150 nan 0.000 0.445 287 V N 0.553 120.341 119.914 -0.210 0.000 2.307 287 V HA -0.198 3.923 4.120 0.001 0.000 0.245 287 V C 2.557 178.501 176.094 -0.250 0.000 1.045 287 V CA 2.141 64.182 62.300 -0.431 0.000 1.024 287 V CB -0.704 30.833 31.823 -0.476 0.000 0.651 287 V HN 0.603 nan 8.190 nan 0.000 0.449 288 E N -0.463 119.615 120.200 -0.204 0.000 2.107 288 E HA -0.171 4.179 4.350 0.001 0.000 0.191 288 E C 2.199 178.712 176.600 -0.144 0.000 0.982 288 E CA 0.720 57.031 56.400 -0.149 0.000 0.809 288 E CB -0.445 29.172 29.700 -0.137 0.000 0.756 288 E HN 0.530 nan 8.360 nan 0.000 0.459 289 Q N 0.548 120.129 119.800 -0.365 0.000 2.119 289 Q HA 0.018 4.359 4.340 0.001 0.000 0.201 289 Q C 2.121 178.034 176.000 -0.146 0.000 0.972 289 Q CA 1.421 57.036 55.803 -0.314 0.000 0.847 289 Q CB -0.360 28.053 28.738 -0.541 0.000 0.903 289 Q HN 0.308 nan 8.270 nan 0.000 0.433 290 A N -0.158 122.538 122.820 -0.208 0.000 1.930 290 A HA -0.207 4.114 4.320 0.001 0.000 0.217 290 A C 1.913 179.485 177.584 -0.019 0.000 1.175 290 A CA 1.765 53.730 52.037 -0.120 0.000 0.627 290 A CB -0.711 18.353 19.000 0.106 0.000 0.815 290 A HN 0.485 nan 8.150 nan 0.000 0.443 291 H N -1.523 117.550 119.070 0.006 0.000 2.293 291 H HA -0.147 4.410 4.556 0.001 0.000 0.300 291 H C 1.749 177.233 175.328 0.259 0.000 1.082 291 H CA 2.186 58.349 56.048 0.192 0.000 1.308 291 H CB -0.417 29.409 29.762 0.107 0.000 1.375 291 H HN 0.461 nan 8.280 nan 0.000 0.495 292 F N 0.880 120.901 119.950 0.118 0.000 2.065 292 F HA -0.256 4.271 4.527 0.001 0.000 0.298 292 F C 2.590 178.364 175.800 -0.042 0.000 1.112 292 F CA 1.702 59.745 58.000 0.071 0.000 1.212 292 F CB -0.712 38.288 39.000 -0.000 0.000 0.975 292 F HN 0.313 nan 8.300 nan 0.000 0.476 293 A N 0.158 122.795 122.820 -0.305 0.000 1.997 293 A HA -0.236 4.085 4.320 0.001 0.000 0.221 293 A C 2.110 179.369 177.584 -0.542 0.000 1.172 293 A CA 2.170 53.777 52.037 -0.717 0.000 0.645 293 A CB -1.060 17.187 19.000 -1.255 0.000 0.813 293 A HN 0.628 nan 8.150 nan 0.000 0.454 294 L N -3.204 117.756 121.223 -0.437 0.000 2.286 294 L HA 0.281 4.622 4.340 0.001 0.000 0.203 294 L C 1.941 178.502 176.870 -0.515 0.000 1.068 294 L CA 0.893 55.428 54.840 -0.508 0.000 0.811 294 L CB 0.029 41.675 42.059 -0.687 0.000 0.989 294 L HN 0.292 nan 8.230 nan 0.000 0.467 295 F N -1.131 118.639 119.950 -0.299 0.000 2.743 295 F HA 0.075 4.603 4.527 0.001 0.000 0.297 295 F C 0.925 176.629 175.800 -0.160 0.000 1.131 295 F CA -0.242 57.597 58.000 -0.268 0.000 1.426 295 F CB -0.154 38.577 39.000 -0.448 0.000 1.116 295 F HN -0.084 nan 8.300 nan 0.000 0.583 296 F N 2.080 121.939 119.950 -0.152 0.000 2.629 296 F HA -0.070 4.458 4.527 0.001 0.000 0.377 296 F C 1.277 177.003 175.800 -0.122 0.000 1.101 296 F CA 0.098 58.012 58.000 -0.144 0.000 1.301 296 F CB 0.140 38.908 39.000 -0.386 0.000 1.062 296 F HN 0.106 nan 8.300 nan 0.000 0.583 297 N N 3.098 121.217 118.700 -0.967 0.000 2.735 297 N HA -0.299 4.441 4.740 0.001 0.000 0.248 297 N C -0.046 175.208 175.510 -0.426 0.000 1.083 297 N CA 1.394 53.984 53.050 -0.766 0.000 0.703 297 N CB -1.097 36.942 38.487 -0.747 0.000 1.005 297 N HN 0.750 nan 8.380 nan 0.000 0.550 298 Q N -2.449 117.188 119.800 -0.272 0.000 2.494 298 Q HA -0.162 4.179 4.340 0.001 0.000 0.272 298 Q C 1.147 177.047 176.000 -0.166 0.000 1.145 298 Q CA 2.107 57.820 55.803 -0.149 0.000 0.943 298 Q CB -1.861 26.788 28.738 -0.149 0.000 1.338 298 Q HN 1.112 nan 8.270 nan 0.000 0.492 299 G N -0.976 107.703 108.800 -0.200 0.000 2.175 299 G HA2 -0.408 3.553 3.960 0.001 0.000 0.265 299 G HA3 -0.408 3.553 3.960 0.001 0.000 0.265 299 G C 0.189 174.809 174.900 -0.466 0.000 0.979 299 G CA 0.523 45.465 45.100 -0.264 0.000 0.663 299 G HN 0.462 nan 8.290 nan 0.000 0.533 300 Q N 0.013 119.444 119.800 -0.615 0.000 3.247 300 Q HA 0.454 4.795 4.340 0.001 0.000 0.326 300 Q C -0.160 175.241 176.000 -0.999 0.000 1.402 300 Q CA -0.121 54.917 55.803 -1.275 0.000 0.994 300 Q CB 0.142 28.431 28.738 -0.748 0.000 1.647 300 Q HN 0.432 nan 8.270 nan 0.000 0.523 301 C N -0.637 118.321 119.300 -0.570 0.000 2.396 301 C HA 0.225 4.686 4.460 0.001 0.000 0.321 301 C C 1.559 176.762 174.990 0.354 0.000 1.233 301 C CA -0.974 58.093 59.018 0.081 0.000 1.440 301 C CB 0.840 28.707 27.740 0.212 0.000 2.110 301 C HN 0.765 nan 8.230 nan 0.000 0.473 302 C N 0.986 120.578 119.300 0.486 0.000 2.419 302 C HA -0.112 4.349 4.460 0.001 0.000 0.281 302 C C 2.183 177.361 174.990 0.313 0.000 1.336 302 C CA 1.102 60.350 59.018 0.385 0.000 1.770 302 C CB -1.564 26.333 27.740 0.262 0.000 1.929 302 C HN 1.012 nan 8.230 nan 0.000 0.509 303 C N 0.378 119.931 119.300 0.422 0.000 2.688 303 C HA 0.686 5.147 4.460 0.001 0.000 0.297 303 C C 1.247 176.522 174.990 0.475 0.000 1.308 303 C CA -1.112 58.193 59.018 0.477 0.000 1.726 303 C CB -2.234 25.953 27.740 0.744 0.000 1.982 303 C HN 0.504 nan 8.230 nan 0.000 0.604 304 A N 1.218 124.221 122.820 0.305 0.000 2.587 304 A HA 0.425 4.746 4.320 0.001 0.000 0.235 304 A C 1.132 178.813 177.584 0.162 0.000 1.044 304 A CA 0.899 53.037 52.037 0.168 0.000 0.754 304 A CB -0.154 18.854 19.000 0.013 0.000 0.968 304 A HN 1.189 nan 8.150 nan 0.000 0.509 305 G N 1.687 110.472 108.800 -0.026 0.000 2.916 305 G HA2 0.348 4.309 3.960 0.001 0.000 0.280 305 G HA3 0.348 4.309 3.960 0.001 0.000 0.280 305 G C 0.842 175.684 174.900 -0.097 0.000 0.758 305 G CA 0.378 45.434 45.100 -0.074 0.000 1.993 305 G HN 1.214 nan 8.290 nan 0.000 0.564 306 S N 1.008 116.696 115.700 -0.020 0.000 2.577 306 S HA 0.242 4.713 4.470 0.001 0.000 0.219 306 S C 0.859 175.433 174.600 -0.043 0.000 0.962 306 S CA -0.462 57.700 58.200 -0.064 0.000 0.921 306 S CB 0.522 63.690 63.200 -0.053 0.000 0.789 306 S HN 0.410 nan 8.310 nan 0.000 0.497 307 R N 1.729 122.225 120.500 -0.007 0.000 2.412 307 R HA 0.334 4.675 4.340 0.001 0.000 0.304 307 R C -1.236 175.020 176.300 -0.074 0.000 1.066 307 R CA -0.116 55.931 56.100 -0.088 0.000 0.923 307 R CB 1.426 31.721 30.300 -0.008 0.000 1.156 307 R HN 0.125 nan 8.270 nan 0.000 0.513 308 T N 4.173 118.647 114.554 -0.133 0.000 2.891 308 T HA 0.277 4.628 4.350 0.001 0.000 0.315 308 T C -0.213 174.429 174.700 -0.096 0.000 1.054 308 T CA -0.183 61.884 62.100 -0.056 0.000 0.958 308 T CB -0.138 68.707 68.868 -0.037 0.000 1.008 308 T HN 0.181 nan 8.240 nan 0.000 0.521 309 F N 2.587 122.571 119.950 0.058 0.000 2.445 309 F HA 0.435 4.963 4.527 0.001 0.000 0.359 309 F C 0.381 176.349 175.800 0.279 0.000 1.101 309 F CA -0.700 57.412 58.000 0.186 0.000 1.177 309 F CB 0.798 39.827 39.000 0.049 0.000 1.110 309 F HN 0.181 nan 8.300 nan 0.000 0.522 310 V N 3.664 123.828 119.914 0.416 0.000 2.588 310 V HA 0.280 4.401 4.120 0.001 0.000 0.304 310 V C -0.160 175.826 176.094 -0.180 0.000 1.042 310 V CA -1.198 61.156 62.300 0.091 0.000 0.877 310 V CB 1.537 33.224 31.823 -0.227 0.000 0.996 310 V HN 0.664 nan 8.190 nan 0.000 0.425 311 Q N 2.257 121.716 119.800 -0.567 0.000 2.361 311 Q HA 0.043 4.384 4.340 0.001 0.000 0.276 311 Q C 1.429 177.213 176.000 -0.360 0.000 1.022 311 Q CA 0.356 55.579 55.803 -0.967 0.000 0.898 311 Q CB 0.885 29.242 28.738 -0.636 0.000 1.246 311 Q HN 0.926 nan 8.270 nan 0.000 0.410 312 E N 2.352 122.356 120.200 -0.326 0.000 2.085 312 E HA -0.306 4.045 4.350 0.001 0.000 0.194 312 E C 0.443 177.026 176.600 -0.027 0.000 0.994 312 E CA 1.609 57.929 56.400 -0.134 0.000 0.801 312 E CB -0.061 29.554 29.700 -0.142 0.000 0.743 312 E HN 0.652 nan 8.360 nan 0.000 0.453 313 D N 1.324 121.694 120.400 -0.049 0.000 2.190 313 D HA -0.156 4.485 4.640 0.001 0.000 0.200 313 D C 2.049 178.374 176.300 0.042 0.000 0.992 313 D CA 1.667 55.667 54.000 -0.000 0.000 0.854 313 D CB -0.139 40.657 40.800 -0.008 0.000 0.936 313 D HN 0.624 nan 8.370 nan 0.000 0.462 314 I N -3.284 117.317 120.570 0.052 0.000 4.025 314 I HA 0.166 4.336 4.170 0.001 0.000 0.336 314 I C 1.760 177.962 176.117 0.142 0.000 1.390 314 I CA -0.504 60.853 61.300 0.095 0.000 1.099 314 I CB -0.135 37.926 38.000 0.101 0.000 1.049 314 I HN -0.213 nan 8.210 nan 0.000 0.394 315 Y N 2.782 123.088 120.300 0.009 0.000 2.097 315 Y HA -0.294 4.257 4.550 0.001 0.000 0.282 315 Y C 2.057 178.019 175.900 0.103 0.000 1.152 315 Y CA 2.319 60.436 58.100 0.029 0.000 1.136 315 Y CB -0.091 38.358 38.460 -0.019 0.000 0.975 315 Y HN 0.203 nan 8.280 nan 0.000 0.498 316 D N 0.153 120.666 120.400 0.188 0.000 2.103 316 D HA -0.252 4.389 4.640 0.001 0.000 0.190 316 D C 2.102 178.416 176.300 0.024 0.000 0.997 316 D CA 1.905 55.964 54.000 0.098 0.000 0.833 316 D CB -0.600 40.274 40.800 0.124 0.000 0.961 316 D HN 0.627 nan 8.370 nan 0.000 0.447 317 E N -0.615 119.618 120.200 0.054 0.000 2.085 317 E HA -0.203 4.148 4.350 0.001 0.000 0.194 317 E C 2.103 178.712 176.600 0.015 0.000 0.994 317 E CA 0.660 57.080 56.400 0.033 0.000 0.801 317 E CB -0.281 29.450 29.700 0.051 0.000 0.743 317 E HN 0.269 nan 8.360 nan 0.000 0.453 318 F N 0.464 120.355 119.950 -0.099 0.000 2.134 318 F HA -0.189 4.339 4.527 0.001 0.000 0.299 318 F C 2.053 177.752 175.800 -0.169 0.000 1.097 318 F CA 1.313 59.239 58.000 -0.124 0.000 1.264 318 F CB -0.031 38.892 39.000 -0.130 0.000 1.001 318 F HN -0.092 nan 8.300 nan 0.000 0.479 319 V N 0.360 120.263 119.914 -0.018 0.000 2.427 319 V HA -0.285 3.836 4.120 0.001 0.000 0.248 319 V C 2.249 178.291 176.094 -0.087 0.000 1.051 319 V CA 2.138 64.381 62.300 -0.096 0.000 1.048 319 V CB -0.778 30.897 31.823 -0.246 0.000 0.666 319 V HN 0.464 nan 8.190 nan 0.000 0.456 320 E N 0.545 120.697 120.200 -0.080 0.000 2.047 320 E HA -0.213 4.137 4.350 0.001 0.000 0.191 320 E C 2.416 178.956 176.600 -0.101 0.000 0.987 320 E CA 1.152 57.511 56.400 -0.067 0.000 0.799 320 E CB -0.112 29.563 29.700 -0.043 0.000 0.752 320 E HN 0.508 nan 8.360 nan 0.000 0.449 321 R N 0.123 120.533 120.500 -0.150 0.000 2.115 321 R HA -0.024 4.317 4.340 0.001 0.000 0.230 321 R C 2.516 178.678 176.300 -0.229 0.000 1.111 321 R CA 1.375 57.357 56.100 -0.196 0.000 0.976 321 R CB -0.076 30.073 30.300 -0.252 0.000 0.870 321 R HN 0.119 nan 8.270 nan 0.000 0.445 322 S N 0.186 115.732 115.700 -0.257 0.000 2.414 322 S HA -0.036 4.434 4.470 0.001 0.000 0.227 322 S C 2.026 176.589 174.600 -0.060 0.000 1.022 322 S CA 0.753 58.846 58.200 -0.179 0.000 0.958 322 S CB 0.144 63.256 63.200 -0.146 0.000 0.797 322 S HN 0.060 nan 8.310 nan 0.000 0.493 323 V N 1.966 121.843 119.914 -0.062 0.000 2.591 323 V HA -0.054 4.067 4.120 0.001 0.000 0.249 323 V C 2.599 178.652 176.094 -0.069 0.000 1.053 323 V CA 1.383 63.658 62.300 -0.042 0.000 1.068 323 V CB -1.105 30.698 31.823 -0.034 0.000 0.689 323 V HN 0.504 nan 8.190 nan 0.000 0.462 324 A N 0.596 123.363 122.820 -0.089 0.000 1.933 324 A HA -0.255 4.066 4.320 0.001 0.000 0.218 324 A C 2.320 179.825 177.584 -0.132 0.000 1.175 324 A CA 2.219 54.196 52.037 -0.099 0.000 0.628 324 A CB -0.460 18.480 19.000 -0.099 0.000 0.814 324 A HN 0.456 nan 8.150 nan 0.000 0.444 325 R N -0.156 120.244 120.500 -0.166 0.000 2.093 325 R HA 0.138 4.478 4.340 0.001 0.000 0.224 325 R C 2.065 178.203 176.300 -0.271 0.000 1.101 325 R CA 1.601 57.540 56.100 -0.268 0.000 0.979 325 R CB -0.684 29.403 30.300 -0.356 0.000 0.877 325 R HN 0.366 nan 8.270 nan 0.000 0.441 326 A N 0.438 123.173 122.820 -0.141 0.000 1.968 326 A HA -0.067 4.253 4.320 0.001 0.000 0.217 326 A C 1.821 179.310 177.584 -0.158 0.000 1.169 326 A CA 1.294 53.233 52.037 -0.165 0.000 0.638 326 A CB -0.253 18.703 19.000 -0.073 0.000 0.812 326 A HN 0.328 nan 8.150 nan 0.000 0.446 327 K N 0.336 120.667 120.400 -0.115 0.000 2.288 327 K HA -0.060 4.260 4.320 0.001 0.000 0.201 327 K C 2.071 178.610 176.600 -0.101 0.000 1.048 327 K CA 1.257 57.487 56.287 -0.094 0.000 0.956 327 K CB -0.050 32.406 32.500 -0.073 0.000 0.746 327 K HN 0.614 nan 8.250 nan 0.000 0.461 328 S N 0.686 116.311 115.700 -0.127 0.000 2.527 328 S HA -0.030 4.441 4.470 0.001 0.000 0.222 328 S C 0.875 175.400 174.600 -0.124 0.000 0.985 328 S CA -0.269 57.858 58.200 -0.121 0.000 0.921 328 S CB -0.051 63.067 63.200 -0.135 0.000 0.772 328 S HN 0.129 nan 8.310 nan 0.000 0.529 329 R N 1.790 122.203 120.500 -0.145 0.000 2.404 329 R HA 0.272 4.613 4.340 0.001 0.000 0.315 329 R C -1.046 175.207 176.300 -0.079 0.000 1.032 329 R CA -0.181 55.847 56.100 -0.119 0.000 0.992 329 R CB 0.306 30.515 30.300 -0.151 0.000 0.959 329 R HN 0.176 nan 8.270 nan 0.000 0.428 330 V N 6.296 126.178 119.914 -0.054 0.000 2.455 330 V HA 0.107 4.228 4.120 0.001 0.000 0.273 330 V C -0.026 176.054 176.094 -0.024 0.000 1.045 330 V CA -0.281 61.993 62.300 -0.042 0.000 0.976 330 V CB 1.360 33.161 31.823 -0.035 0.000 0.993 330 V HN 0.490 nan 8.190 nan 0.000 0.475 331 V N 5.378 125.274 119.914 -0.031 0.000 2.357 331 V HA 0.933 5.053 4.120 0.001 0.000 0.284 331 V C 0.612 176.646 176.094 -0.099 0.000 1.018 331 V CA 0.441 62.741 62.300 -0.001 0.000 0.841 331 V CB 0.808 32.653 31.823 0.036 0.000 0.991 331 V HN 1.083 nan 8.190 nan 0.000 0.437 332 G N 3.593 112.350 108.800 -0.072 0.000 2.500 332 G HA2 0.210 4.171 3.960 0.001 0.000 0.299 332 G HA3 0.210 4.171 3.960 0.001 0.000 0.299 332 G C -0.902 173.973 174.900 -0.042 0.000 1.242 332 G CA -0.847 44.109 45.100 -0.241 0.000 0.859 332 G HN 0.495 nan 8.290 nan 0.000 0.481 333 N N 1.848 120.508 118.700 -0.067 0.000 2.365 333 N HA 0.095 4.835 4.740 0.001 0.000 0.265 333 N C -0.919 174.631 175.510 0.066 0.000 1.288 333 N CA -1.104 51.985 53.050 0.064 0.000 0.869 333 N CB 1.453 39.969 38.487 0.050 0.000 1.071 333 N HN 0.103 nan 8.380 nan 0.000 0.480 334 P HA -0.086 nan 4.420 nan 0.000 0.226 334 P C 0.884 178.099 177.300 -0.141 0.000 1.153 334 P CA 1.065 64.105 63.100 -0.100 0.000 0.777 334 P CB -0.016 31.544 31.700 -0.233 0.000 0.794 335 F N -0.110 119.865 119.950 0.043 0.000 2.710 335 F HA 0.063 4.591 4.527 0.001 0.000 0.298 335 F C 1.327 177.135 175.800 0.013 0.000 1.137 335 F CA -0.029 57.978 58.000 0.012 0.000 1.444 335 F CB -0.052 38.908 39.000 -0.067 0.000 1.111 335 F HN -0.121 nan 8.300 nan 0.000 0.580 336 D N 0.310 120.806 120.400 0.160 0.000 2.308 336 D HA -0.014 4.627 4.640 0.001 0.000 0.251 336 D C 1.200 177.551 176.300 0.085 0.000 1.127 336 D CA 0.245 54.301 54.000 0.093 0.000 0.876 336 D CB 1.507 42.334 40.800 0.045 0.000 1.176 336 D HN 0.130 nan 8.370 nan 0.000 0.446 337 S N 3.341 119.087 115.700 0.077 0.000 2.474 337 S HA -0.123 4.348 4.470 0.001 0.000 0.235 337 S C 1.330 175.957 174.600 0.045 0.000 0.997 337 S CA 0.689 58.934 58.200 0.075 0.000 0.949 337 S CB 0.019 63.258 63.200 0.066 0.000 0.766 337 S HN 0.479 nan 8.310 nan 0.000 0.517 338 K N 0.927 121.344 120.400 0.028 0.000 2.305 338 K HA 0.112 4.432 4.320 0.001 0.000 0.199 338 K C 0.286 176.892 176.600 0.010 0.000 1.047 338 K CA 0.522 56.815 56.287 0.012 0.000 0.976 338 K CB -0.218 32.281 32.500 -0.003 0.000 0.765 338 K HN 0.237 nan 8.250 nan 0.000 0.474 339 T N 2.221 116.785 114.554 0.017 0.000 2.853 339 T HA 0.014 4.364 4.350 0.001 0.000 0.298 339 T C 0.755 175.467 174.700 0.020 0.000 0.978 339 T CA 0.317 62.425 62.100 0.014 0.000 1.152 339 T CB 0.847 69.728 68.868 0.022 0.000 0.914 339 T HN 0.205 nan 8.240 nan 0.000 0.539 340 E N 1.901 122.112 120.200 0.017 0.000 2.364 340 E HA 0.053 4.404 4.350 0.001 0.000 0.196 340 E C 0.772 177.383 176.600 0.019 0.000 0.990 340 E CA 0.162 56.580 56.400 0.030 0.000 0.886 340 E CB 0.604 30.326 29.700 0.036 0.000 0.866 340 E HN 0.544 nan 8.360 nan 0.000 0.493 341 Q N 0.513 120.327 119.800 0.023 0.000 2.290 341 Q HA 0.400 4.740 4.340 0.001 0.000 0.269 341 Q C -0.496 175.556 176.000 0.086 0.000 1.016 341 Q CA -0.585 55.235 55.803 0.028 0.000 0.754 341 Q CB 1.702 30.466 28.738 0.042 0.000 1.247 341 Q HN 0.133 nan 8.270 nan 0.000 0.451 342 G N 3.283 112.096 108.800 0.020 0.000 2.494 342 G HA2 0.534 4.495 3.960 0.001 0.000 0.270 342 G HA3 0.534 4.495 3.960 0.001 0.000 0.270 342 G C -2.502 172.325 174.900 -0.122 0.000 1.423 342 G CA -0.875 44.244 45.100 0.031 0.000 1.055 342 G HN 0.537 nan 8.290 nan 0.000 0.536 343 P HA 0.225 nan 4.420 nan 0.000 0.278 343 P C -0.737 176.366 177.300 -0.328 0.000 1.266 343 P CA -0.524 62.101 63.100 -0.792 0.000 0.807 343 P CB 0.943 31.895 31.700 -1.245 0.000 1.094 344 Q N -0.058 119.633 119.800 -0.182 0.000 2.443 344 Q HA 0.064 4.404 4.340 0.001 0.000 0.232 344 Q C 1.276 177.173 176.000 -0.173 0.000 1.026 344 Q CA -0.349 55.392 55.803 -0.104 0.000 0.924 344 Q CB 0.143 28.893 28.738 0.019 0.000 1.256 344 Q HN 0.196 nan 8.270 nan 0.000 0.519 345 V N 0.357 120.089 119.914 -0.304 0.000 2.515 345 V HA -0.188 3.932 4.120 0.001 0.000 0.250 345 V C 0.216 176.077 176.094 -0.388 0.000 1.058 345 V CA 2.543 64.580 62.300 -0.439 0.000 1.064 345 V CB -0.126 31.114 31.823 -0.970 0.000 0.675 345 V HN 0.974 nan 8.190 nan 0.000 0.461 346 D N -3.241 116.867 120.400 -0.486 0.000 2.768 346 D HA 0.097 4.738 4.640 0.001 0.000 0.327 346 D C 0.679 176.313 176.300 -1.109 0.000 1.302 346 D CA 0.022 53.634 54.000 -0.646 0.000 0.897 346 D CB 0.638 41.172 40.800 -0.443 0.000 1.420 346 D HN -0.032 nan 8.370 nan 0.000 0.494 347 E N -0.629 118.849 120.200 -1.202 0.000 2.072 347 E HA -0.131 4.220 4.350 0.001 0.000 0.191 347 E C 1.219 177.666 176.600 -0.255 0.000 0.985 347 E CA 1.729 57.643 56.400 -0.810 0.000 0.801 347 E CB -0.142 29.332 29.700 -0.377 0.000 0.750 347 E HN 0.480 nan 8.360 nan 0.000 0.452 348 T N 1.137 115.563 114.554 -0.213 0.000 2.684 348 T HA -0.179 4.172 4.350 0.001 0.000 0.267 348 T C 1.779 176.447 174.700 -0.052 0.000 1.036 348 T CA 1.327 63.371 62.100 -0.093 0.000 1.148 348 T CB -0.177 68.648 68.868 -0.071 0.000 0.863 348 T HN 0.163 nan 8.240 nan 0.000 0.436 349 Q N -0.056 119.684 119.800 -0.099 0.000 2.119 349 Q HA 0.016 4.356 4.340 0.001 0.000 0.201 349 Q C 2.046 178.082 176.000 0.060 0.000 0.972 349 Q CA 0.999 56.803 55.803 0.001 0.000 0.847 349 Q CB -0.658 28.041 28.738 -0.065 0.000 0.903 349 Q HN 0.550 nan 8.270 nan 0.000 0.433 350 F N 1.967 121.813 119.950 -0.174 0.000 2.046 350 F HA -0.220 4.308 4.527 0.001 0.000 0.297 350 F C 2.019 177.806 175.800 -0.021 0.000 1.123 350 F CA 1.649 59.590 58.000 -0.098 0.000 1.199 350 F CB -0.140 38.754 39.000 -0.178 0.000 0.972 350 F HN -0.040 nan 8.300 nan 0.000 0.474 351 K N 0.189 120.540 120.400 -0.082 0.000 2.009 351 K HA -0.239 4.082 4.320 0.001 0.000 0.210 351 K C 2.272 178.817 176.600 -0.092 0.000 1.049 351 K CA 1.856 58.057 56.287 -0.144 0.000 0.929 351 K CB -0.391 32.083 32.500 -0.043 0.000 0.714 351 K HN 0.214 nan 8.250 nan 0.000 0.440 352 K N 1.058 121.453 120.400 -0.007 0.000 2.032 352 K HA -0.155 4.166 4.320 0.001 0.000 0.209 352 K C 2.098 178.791 176.600 0.155 0.000 1.048 352 K CA 1.477 57.800 56.287 0.060 0.000 0.927 352 K CB -0.131 32.452 32.500 0.138 0.000 0.712 352 K HN 0.092 nan 8.250 nan 0.000 0.441 353 I N 1.038 121.701 120.570 0.155 0.000 2.315 353 I HA -0.287 3.884 4.170 0.001 0.000 0.248 353 I C 2.191 178.380 176.117 0.120 0.000 1.117 353 I CA 0.901 62.320 61.300 0.200 0.000 1.404 353 I CB -0.149 37.929 38.000 0.130 0.000 1.071 353 I HN 0.160 nan 8.210 nan 0.000 0.419 354 L N 0.388 121.587 121.223 -0.040 0.000 2.046 354 L HA -0.162 4.178 4.340 0.001 0.000 0.208 354 L C 2.692 179.549 176.870 -0.022 0.000 1.077 354 L CA 1.619 56.408 54.840 -0.085 0.000 0.747 354 L CB -1.165 40.738 42.059 -0.260 0.000 0.896 354 L HN 0.343 nan 8.230 nan 0.000 0.432 355 G N -1.103 107.668 108.800 -0.049 0.000 2.440 355 G HA2 -0.306 3.655 3.960 0.001 0.000 0.218 355 G HA3 -0.306 3.655 3.960 0.001 0.000 0.218 355 G C 1.376 176.228 174.900 -0.080 0.000 1.154 355 G CA 0.697 45.740 45.100 -0.094 0.000 0.767 355 G HN 0.303 nan 8.290 nan 0.000 0.552 356 Y N 0.516 120.833 120.300 0.029 0.000 2.224 356 Y HA -0.013 4.537 4.550 0.001 0.000 0.289 356 Y C 2.770 178.727 175.900 0.095 0.000 1.146 356 Y CA 0.803 58.933 58.100 0.050 0.000 1.182 356 Y CB -0.038 38.462 38.460 0.067 0.000 0.983 356 Y HN 0.139 nan 8.280 nan 0.000 0.524 357 I N -0.027 120.719 120.570 0.293 0.000 2.202 357 I HA -0.332 3.839 4.170 0.001 0.000 0.242 357 I C 1.759 178.048 176.117 0.287 0.000 1.091 357 I CA 1.597 63.120 61.300 0.372 0.000 1.368 357 I CB -0.566 37.576 38.000 0.237 0.000 1.058 357 I HN 0.322 nan 8.210 nan 0.000 0.410 358 N N 0.430 119.212 118.700 0.137 0.000 2.018 358 N HA -0.192 4.549 4.740 0.001 0.000 0.196 358 N C 1.613 177.153 175.510 0.049 0.000 1.043 358 N CA 2.028 55.125 53.050 0.078 0.000 0.856 358 N CB -0.317 38.181 38.487 0.019 0.000 1.042 358 N HN 0.270 nan 8.380 nan 0.000 0.423 359 T N -0.501 114.060 114.554 0.011 0.000 2.869 359 T HA -0.123 4.228 4.350 0.001 0.000 0.270 359 T C 1.759 176.421 174.700 -0.063 0.000 1.082 359 T CA 1.237 63.321 62.100 -0.027 0.000 1.123 359 T CB -0.447 68.393 68.868 -0.046 0.000 0.856 359 T HN 0.489 nan 8.240 nan 0.000 0.499 360 G N 0.858 109.592 108.800 -0.110 0.000 2.595 360 G HA2 0.015 3.976 3.960 0.001 0.000 0.213 360 G HA3 0.015 3.976 3.960 0.001 0.000 0.213 360 G C 1.434 176.164 174.900 -0.282 0.000 1.141 360 G CA -0.179 44.658 45.100 -0.439 0.000 0.806 360 G HN 0.395 nan 8.290 nan 0.000 0.530 361 K N -0.155 120.265 120.400 0.034 0.000 2.486 361 K HA 0.065 4.385 4.320 0.001 0.000 0.194 361 K C 2.270 178.899 176.600 0.048 0.000 1.033 361 K CA 0.402 56.771 56.287 0.138 0.000 1.004 361 K CB 0.194 32.809 32.500 0.191 0.000 0.798 361 K HN 0.156 nan 8.250 nan 0.000 0.495 362 Q N 1.154 120.954 119.800 0.001 0.000 2.089 362 Q HA -0.036 4.305 4.340 0.001 0.000 0.195 362 Q C 0.610 176.599 176.000 -0.018 0.000 0.963 362 Q CA 1.278 57.077 55.803 -0.006 0.000 0.834 362 Q CB 0.440 29.169 28.738 -0.015 0.000 0.906 362 Q HN 0.242 nan 8.270 nan 0.000 0.452 363 E N -0.966 119.205 120.200 -0.048 0.000 2.403 363 E HA 0.220 4.571 4.350 0.001 0.000 0.187 363 E C 0.234 176.812 176.600 -0.038 0.000 1.073 363 E CA 0.351 56.722 56.400 -0.047 0.000 0.888 363 E CB 0.093 29.751 29.700 -0.069 0.000 1.035 363 E HN 0.460 nan 8.360 nan 0.000 0.471 364 G N 1.021 109.811 108.800 -0.017 0.000 2.143 364 G HA2 -0.329 3.632 3.960 0.001 0.000 0.248 364 G HA3 -0.329 3.632 3.960 0.001 0.000 0.248 364 G C 0.322 175.233 174.900 0.018 0.000 0.991 364 G CA 0.018 45.123 45.100 0.009 0.000 0.689 364 G HN 0.486 nan 8.290 nan 0.000 0.522 365 A N 0.039 122.853 122.820 -0.010 0.000 2.401 365 A HA 0.612 4.933 4.320 0.001 0.000 0.259 365 A C 0.716 178.419 177.584 0.197 0.000 1.103 365 A CA -0.030 52.029 52.037 0.037 0.000 0.789 365 A CB 0.375 19.271 19.000 -0.173 0.000 1.035 365 A HN 0.376 nan 8.150 nan 0.000 0.491 366 K N 2.172 122.704 120.400 0.220 0.000 2.294 366 K HA 0.103 4.424 4.320 0.001 0.000 0.288 366 K C -0.464 176.297 176.600 0.269 0.000 1.072 366 K CA -0.279 56.133 56.287 0.209 0.000 0.960 366 K CB 0.098 32.689 32.500 0.152 0.000 1.043 366 K HN 0.571 nan 8.250 nan 0.000 0.455 367 L N 5.085 126.461 121.223 0.256 0.000 2.698 367 L HA -0.064 4.277 4.340 0.001 0.000 0.272 367 L C 0.444 177.306 176.870 -0.014 0.000 1.154 367 L CA 0.798 55.657 54.840 0.031 0.000 0.964 367 L CB 0.028 42.106 42.059 0.032 0.000 1.272 367 L HN 0.675 nan 8.230 nan 0.000 0.483 368 L N 4.906 126.093 121.223 -0.060 0.000 2.463 368 L HA 0.185 4.526 4.340 0.001 0.000 0.219 368 L C 0.560 177.401 176.870 -0.047 0.000 1.088 368 L CA 0.303 55.128 54.840 -0.024 0.000 0.849 368 L CB -0.021 42.040 42.059 0.004 0.000 1.012 368 L HN 0.876 nan 8.230 nan 0.000 0.468 369 C N -3.953 115.293 119.300 -0.090 0.000 3.259 369 C HA 0.728 5.188 4.460 0.001 0.000 0.344 369 C C 0.905 175.837 174.990 -0.096 0.000 1.401 369 C CA -0.621 58.354 59.018 -0.072 0.000 1.219 369 C CB 0.765 28.475 27.740 -0.051 0.000 1.521 369 C HN 0.561 nan 8.230 nan 0.000 0.455 370 G N 0.785 109.549 108.800 -0.060 0.000 2.614 370 G HA2 0.283 4.244 3.960 0.001 0.000 0.303 370 G HA3 0.283 4.244 3.960 0.001 0.000 0.303 370 G C 1.460 176.324 174.900 -0.060 0.000 1.270 370 G CA 2.810 47.882 45.100 -0.046 0.000 0.988 370 G HN 3.333 nan 8.290 nan 0.000 0.551 371 G N -2.438 106.325 108.800 -0.061 0.000 2.213 371 G HA2 0.405 4.365 3.960 0.001 0.000 0.226 371 G HA3 0.405 4.365 3.960 0.001 0.000 0.226 371 G C 1.373 176.274 174.900 0.001 0.000 0.992 371 G CA 1.037 46.110 45.100 -0.044 0.000 0.632 371 G HN 2.551 nan 8.290 nan 0.000 0.511 372 G N -0.843 107.964 108.800 0.012 0.000 2.798 372 G HA2 0.693 4.654 3.960 0.001 0.000 0.286 372 G HA3 0.693 4.654 3.960 0.001 0.000 0.286 372 G C -0.140 174.799 174.900 0.065 0.000 1.389 372 G CA -0.751 44.364 45.100 0.025 0.000 0.894 372 G HN 0.616 nan 8.290 nan 0.000 0.488 373 I N 0.514 121.141 120.570 0.094 0.000 2.892 373 I HA 0.238 4.409 4.170 0.001 0.000 0.287 373 I C 1.349 177.567 176.117 0.167 0.000 1.205 373 I CA 0.310 61.738 61.300 0.214 0.000 1.409 373 I CB 1.487 39.666 38.000 0.297 0.000 1.367 373 I HN 0.558 nan 8.210 nan 0.000 0.597 374 A N 4.255 127.197 122.820 0.203 0.000 2.469 374 A HA 0.737 5.058 4.320 0.001 0.000 0.245 374 A C 0.460 178.071 177.584 0.046 0.000 1.221 374 A CA 0.396 52.500 52.037 0.112 0.000 0.946 374 A CB 0.314 19.386 19.000 0.120 0.000 1.049 374 A HN 0.795 nan 8.150 nan 0.000 0.529 375 A N 0.057 122.931 122.820 0.089 0.000 2.604 375 A HA 0.534 4.855 4.320 0.001 0.000 0.295 375 A C -0.602 177.012 177.584 0.050 0.000 1.067 375 A CA 0.069 52.102 52.037 -0.007 0.000 0.683 375 A CB 0.509 19.399 19.000 -0.184 0.000 1.281 375 A HN 0.197 nan 8.150 nan 0.000 0.407 376 D N -0.098 120.305 120.400 0.004 0.000 2.328 376 D HA 0.211 4.852 4.640 0.001 0.000 0.226 376 D C 0.464 176.758 176.300 -0.010 0.000 1.066 376 D CA 0.276 54.286 54.000 0.017 0.000 0.861 376 D CB 0.199 41.002 40.800 0.004 0.000 0.912 376 D HN 0.460 nan 8.370 nan 0.000 0.521 377 R N 0.274 120.762 120.500 -0.020 0.000 2.512 377 R HA 0.497 4.837 4.340 0.001 0.000 0.291 377 R C -0.430 175.868 176.300 -0.004 0.000 1.097 377 R CA -0.079 55.990 56.100 -0.052 0.000 0.940 377 R CB 0.976 31.245 30.300 -0.053 0.000 1.198 377 R HN 0.149 nan 8.270 nan 0.000 0.429 378 G N 2.599 111.255 108.800 -0.240 0.000 2.730 378 G HA2 -0.264 3.697 3.960 0.001 0.000 0.686 378 G HA3 -0.264 3.697 3.960 0.001 0.000 0.686 378 G C -0.905 173.607 174.900 -0.647 0.000 1.343 378 G CA -0.496 44.300 45.100 -0.507 0.000 0.826 378 G HN 0.611 nan 8.290 nan 0.000 0.582 379 Y N -0.065 119.830 120.300 -0.675 0.000 2.930 379 Y HA 0.471 5.022 4.550 0.001 0.000 0.386 379 Y C 0.862 176.422 175.900 -0.568 0.000 1.185 379 Y CA -0.704 56.820 58.100 -0.961 0.000 1.922 379 Y CB -0.277 37.754 38.460 -0.716 0.000 2.006 379 Y HN 0.326 nan 8.280 nan 0.000 0.431 380 F N 1.474 121.371 119.950 -0.088 0.000 2.410 380 F HA 0.442 4.970 4.527 0.001 0.000 0.348 380 F C 0.253 176.207 175.800 0.257 0.000 1.106 380 F CA -0.715 57.328 58.000 0.072 0.000 1.163 380 F CB 0.618 39.618 39.000 0.000 0.000 1.129 380 F HN 0.036 nan 8.300 nan 0.000 0.516 381 I N 2.450 123.238 120.570 0.363 0.000 2.545 381 I HA 0.221 4.392 4.170 0.001 0.000 0.292 381 I C -0.544 175.684 176.117 0.185 0.000 1.040 381 I CA -0.984 60.486 61.300 0.283 0.000 1.068 381 I CB 2.048 40.186 38.000 0.229 0.000 1.251 381 I HN 0.511 nan 8.210 nan 0.000 0.424 382 Q N 6.077 125.956 119.800 0.131 0.000 2.337 382 Q HA 0.172 4.512 4.340 0.001 0.000 0.270 382 Q C -2.264 173.780 176.000 0.073 0.000 1.002 382 Q CA -1.564 54.285 55.803 0.077 0.000 0.888 382 Q CB 0.281 29.044 28.738 0.042 0.000 1.222 382 Q HN 0.226 nan 8.270 nan 0.000 0.400 383 P HA -0.066 nan 4.420 nan 0.000 0.257 383 P C -1.089 176.262 177.300 0.086 0.000 1.189 383 P CA 0.608 63.742 63.100 0.057 0.000 0.780 383 P CB 0.407 31.974 31.700 -0.222 0.000 0.772 384 T N 3.095 117.752 114.554 0.173 0.000 2.823 384 T HA 0.481 4.832 4.350 0.001 0.000 0.279 384 T C -0.199 174.496 174.700 -0.008 0.000 0.998 384 T CA -0.453 61.639 62.100 -0.012 0.000 0.994 384 T CB 1.058 69.858 68.868 -0.114 0.000 0.960 384 T HN -0.055 nan 8.240 nan 0.000 0.448 385 V N 3.432 123.262 119.914 -0.139 0.000 2.588 385 V HA 0.545 4.666 4.120 0.001 0.000 0.304 385 V C -1.013 174.937 176.094 -0.240 0.000 1.042 385 V CA -0.954 61.294 62.300 -0.086 0.000 0.877 385 V CB 1.478 33.321 31.823 0.034 0.000 0.996 385 V HN 0.844 nan 8.190 nan 0.000 0.425 386 F N 2.170 122.152 119.950 0.054 0.000 2.444 386 F HA 0.754 5.281 4.527 0.001 0.000 0.342 386 F C 0.898 176.733 175.800 0.058 0.000 1.121 386 F CA -0.385 57.644 58.000 0.049 0.000 0.997 386 F CB 2.085 41.106 39.000 0.035 0.000 1.130 386 F HN 0.630 nan 8.300 nan 0.000 0.454 387 G N 0.858 109.820 108.800 0.271 0.000 2.509 387 G HA2 0.351 4.312 3.960 0.001 0.000 0.328 387 G HA3 0.351 4.312 3.960 0.001 0.000 0.328 387 G C -0.524 174.515 174.900 0.232 0.000 1.194 387 G CA -0.581 44.660 45.100 0.235 0.000 0.967 387 G HN 0.678 nan 8.290 nan 0.000 0.488 388 D N -1.142 119.425 120.400 0.279 0.000 2.751 388 D HA -0.164 4.476 4.640 0.001 0.000 0.233 388 D C 0.670 177.015 176.300 0.075 0.000 1.149 388 D CA 0.635 54.720 54.000 0.141 0.000 0.682 388 D CB -1.041 39.822 40.800 0.106 0.000 1.068 388 D HN 0.196 nan 8.370 nan 0.000 0.429 389 V N 0.902 120.859 119.914 0.072 0.000 2.715 389 V HA 0.060 4.181 4.120 0.001 0.000 0.299 389 V C 0.841 176.922 176.094 -0.021 0.000 1.054 389 V CA 0.117 62.421 62.300 0.006 0.000 1.077 389 V CB 1.664 33.481 31.823 -0.010 0.000 0.972 389 V HN 0.044 nan 8.190 nan 0.000 0.484 390 Q N 2.103 121.887 119.800 -0.026 0.000 2.306 390 Q HA 0.347 4.688 4.340 0.001 0.000 0.265 390 Q C 0.331 176.327 176.000 -0.007 0.000 1.022 390 Q CA -0.778 55.019 55.803 -0.011 0.000 0.853 390 Q CB 1.560 30.296 28.738 -0.003 0.000 1.327 390 Q HN 0.655 nan 8.270 nan 0.000 0.449 391 D N 1.297 121.711 120.400 0.024 0.000 2.221 391 D HA -0.119 4.521 4.640 0.001 0.000 0.204 391 D C 1.468 177.786 176.300 0.030 0.000 0.982 391 D CA 1.547 55.574 54.000 0.044 0.000 0.857 391 D CB -0.003 40.850 40.800 0.087 0.000 0.934 391 D HN 0.825 nan 8.370 nan 0.000 0.475 392 G N -0.200 108.611 108.800 0.018 0.000 2.712 392 G HA2 -0.015 3.946 3.960 0.001 0.000 0.212 392 G HA3 -0.015 3.946 3.960 0.001 0.000 0.212 392 G C 0.768 175.670 174.900 0.003 0.000 1.142 392 G CA -0.214 44.894 45.100 0.013 0.000 0.789 392 G HN 0.167 nan 8.290 nan 0.000 0.535 393 M N 1.054 120.648 119.600 -0.010 0.000 2.245 393 M HA 0.122 4.603 4.480 0.001 0.000 0.344 393 M C 1.798 178.093 176.300 -0.009 0.000 1.170 393 M CA -0.082 55.202 55.300 -0.028 0.000 1.135 393 M CB 0.933 33.492 32.600 -0.068 0.000 1.574 393 M HN -0.056 nan 8.290 nan 0.000 0.452 394 T N 2.619 117.175 114.554 0.003 0.000 2.699 394 T HA -0.162 4.189 4.350 0.001 0.000 0.268 394 T C 1.528 176.273 174.700 0.075 0.000 1.036 394 T CA 1.881 64.016 62.100 0.058 0.000 1.147 394 T CB -0.542 68.372 68.868 0.078 0.000 0.862 394 T HN 0.792 nan 8.240 nan 0.000 0.446 395 I N -0.365 120.211 120.570 0.011 0.000 3.001 395 I HA 0.216 4.386 4.170 0.001 0.000 0.268 395 I C 2.269 178.365 176.117 -0.035 0.000 1.267 395 I CA 0.868 62.155 61.300 -0.021 0.000 1.472 395 I CB -0.385 37.538 38.000 -0.129 0.000 1.089 395 I HN 0.095 nan 8.210 nan 0.000 0.468 396 A N 0.827 123.632 122.820 -0.025 0.000 2.275 396 A HA 0.192 4.512 4.320 0.001 0.000 0.212 396 A C 2.133 179.739 177.584 0.036 0.000 1.201 396 A CA 0.211 52.240 52.037 -0.014 0.000 0.843 396 A CB -0.100 18.883 19.000 -0.028 0.000 0.873 396 A HN 0.438 nan 8.150 nan 0.000 0.492 397 K N -0.460 119.973 120.400 0.054 0.000 2.380 397 K HA 0.161 4.481 4.320 0.001 0.000 0.200 397 K C -0.096 176.593 176.600 0.148 0.000 1.201 397 K CA 0.212 56.556 56.287 0.096 0.000 0.916 397 K CB 0.566 33.110 32.500 0.073 0.000 1.187 397 K HN 0.402 nan 8.250 nan 0.000 0.498 398 E N 1.934 122.201 120.200 0.113 0.000 2.231 398 E HA 0.073 4.423 4.350 0.001 0.000 0.277 398 E C -0.947 175.624 176.600 -0.048 0.000 0.999 398 E CA -0.301 56.172 56.400 0.121 0.000 0.827 398 E CB 1.662 31.478 29.700 0.194 0.000 1.101 398 E HN 0.080 nan 8.360 nan 0.000 0.393 399 E N 3.153 123.336 120.200 -0.029 0.000 2.328 399 E HA -0.024 4.327 4.350 0.001 0.000 0.265 399 E C 0.242 176.679 176.600 -0.271 0.000 1.057 399 E CA 0.024 56.340 56.400 -0.140 0.000 0.916 399 E CB 0.393 29.990 29.700 -0.173 0.000 0.993 399 E HN 0.527 nan 8.360 nan 0.000 0.446 400 I N 4.469 124.861 120.570 -0.296 0.000 2.400 400 I HA -0.063 4.108 4.170 0.001 0.000 0.248 400 I C 0.559 176.696 176.117 0.034 0.000 1.109 400 I CA 0.098 61.162 61.300 -0.393 0.000 1.425 400 I CB 0.067 37.883 38.000 -0.307 0.000 1.094 400 I HN 0.695 nan 8.210 nan 0.000 0.425 401 F N 1.439 121.319 119.950 -0.116 0.000 3.043 401 F HA -0.170 4.358 4.527 0.001 0.000 0.290 401 F C 0.367 176.179 175.800 0.019 0.000 0.844 401 F CA 0.594 58.579 58.000 -0.026 0.000 1.184 401 F CB -1.407 37.616 39.000 0.039 0.000 1.246 401 F HN 0.143 nan 8.300 nan 0.000 0.536 402 G N -0.974 107.827 108.800 0.002 0.000 2.727 402 G HA2 0.655 4.616 3.960 0.001 0.000 0.289 402 G HA3 0.655 4.616 3.960 0.001 0.000 0.289 402 G C -3.036 171.829 174.900 -0.058 0.000 1.418 402 G CA -0.977 44.120 45.100 -0.006 0.000 0.818 402 G HN -0.206 nan 8.290 nan 0.000 0.486 403 P HA 0.311 nan 4.420 nan 0.000 0.226 403 P C -0.624 176.703 177.300 0.045 0.000 1.783 403 P CA -0.158 62.986 63.100 0.073 0.000 0.980 403 P CB 0.290 32.162 31.700 0.288 0.000 1.967 404 V N 2.664 122.502 119.914 -0.128 0.000 2.380 404 V HA 0.360 4.480 4.120 0.001 0.000 0.286 404 V C 0.041 176.050 176.094 -0.141 0.000 1.015 404 V CA -0.608 61.663 62.300 -0.049 0.000 0.834 404 V CB 1.876 33.746 31.823 0.079 0.000 1.009 404 V HN 0.291 nan 8.190 nan 0.000 0.428 405 M N 4.207 123.724 119.600 -0.139 0.000 2.157 405 M HA 0.569 5.050 4.480 0.001 0.000 0.354 405 M C -0.748 175.576 176.300 0.040 0.000 1.170 405 M CA -0.358 54.854 55.300 -0.146 0.000 1.060 405 M CB 1.342 33.853 32.600 -0.148 0.000 1.615 405 M HN 0.615 nan 8.290 nan 0.000 0.460 406 Q N 5.316 125.126 119.800 0.016 0.000 2.347 406 Q HA 0.546 4.886 4.340 0.001 0.000 0.262 406 Q C -1.210 174.793 176.000 0.005 0.000 0.980 406 Q CA 0.113 55.949 55.803 0.054 0.000 0.867 406 Q CB 1.494 30.229 28.738 -0.004 0.000 1.242 406 Q HN 0.702 nan 8.270 nan 0.000 0.453 407 I N 4.476 125.084 120.570 0.063 0.000 2.354 407 I HA 0.336 4.507 4.170 0.001 0.000 0.286 407 I C -0.919 175.269 176.117 0.119 0.000 1.007 407 I CA -0.799 60.540 61.300 0.065 0.000 1.167 407 I CB 0.644 38.701 38.000 0.094 0.000 1.320 407 I HN 0.328 nan 8.210 nan 0.000 0.458 408 L N 6.545 127.772 121.223 0.007 0.000 2.330 408 L HA 0.552 4.893 4.340 0.001 0.000 0.271 408 L C -0.068 176.901 176.870 0.165 0.000 1.013 408 L CA -0.488 54.342 54.840 -0.016 0.000 0.816 408 L CB 1.359 43.195 42.059 -0.372 0.000 1.287 408 L HN 0.453 nan 8.230 nan 0.000 0.435 409 K N 1.462 121.901 120.400 0.065 0.000 2.203 409 K HA 0.747 5.068 4.320 0.001 0.000 0.251 409 K C -1.524 175.196 176.600 0.201 0.000 0.944 409 K CA -0.509 55.772 56.287 -0.011 0.000 0.829 409 K CB 1.548 33.718 32.500 -0.550 0.000 1.125 409 K HN 0.530 nan 8.250 nan 0.000 0.430 410 F N 0.639 120.630 119.950 0.068 0.000 2.662 410 F HA 0.432 4.960 4.527 0.001 0.000 0.312 410 F C 0.059 175.888 175.800 0.048 0.000 1.113 410 F CA -0.920 57.133 58.000 0.088 0.000 0.951 410 F CB 1.567 40.669 39.000 0.168 0.000 1.344 410 F HN 0.555 nan 8.300 nan 0.000 0.462 411 K N 0.115 120.605 120.400 0.150 0.000 2.266 411 K HA 0.230 4.551 4.320 0.001 0.000 0.209 411 K C 0.317 176.985 176.600 0.114 0.000 1.065 411 K CA 1.084 57.381 56.287 0.016 0.000 0.946 411 K CB 0.243 32.764 32.500 0.036 0.000 1.069 411 K HN 0.912 nan 8.250 nan 0.000 0.472 412 T N -2.289 112.419 114.554 0.256 0.000 2.950 412 T HA 0.276 4.626 4.350 0.001 0.000 0.288 412 T C 1.124 175.986 174.700 0.269 0.000 1.035 412 T CA -0.872 61.350 62.100 0.204 0.000 1.028 412 T CB 1.387 70.315 68.868 0.100 0.000 1.109 412 T HN 0.171 nan 8.240 nan 0.000 0.514 413 I N 0.322 120.982 120.570 0.149 0.000 2.353 413 I HA -0.054 4.117 4.170 0.001 0.000 0.248 413 I C 2.210 178.361 176.117 0.057 0.000 1.119 413 I CA 1.359 62.712 61.300 0.088 0.000 1.417 413 I CB -0.026 37.965 38.000 -0.014 0.000 1.078 413 I HN 0.779 nan 8.210 nan 0.000 0.421 414 E N 0.624 120.851 120.200 0.045 0.000 2.072 414 E HA -0.285 4.066 4.350 0.001 0.000 0.191 414 E C 1.924 178.538 176.600 0.024 0.000 0.985 414 E CA 1.364 57.805 56.400 0.068 0.000 0.801 414 E CB -0.188 29.541 29.700 0.048 0.000 0.750 414 E HN 0.502 nan 8.360 nan 0.000 0.452 415 E N 0.401 120.618 120.200 0.028 0.000 2.023 415 E HA -0.223 4.127 4.350 0.001 0.000 0.196 415 E C 2.107 178.641 176.600 -0.110 0.000 1.003 415 E CA 1.516 57.923 56.400 0.011 0.000 0.809 415 E CB -0.141 29.619 29.700 0.099 0.000 0.755 415 E HN 0.180 nan 8.360 nan 0.000 0.449 416 V N 0.261 120.019 119.914 -0.260 0.000 2.515 416 V HA -0.177 3.944 4.120 0.001 0.000 0.250 416 V C 2.316 178.089 176.094 -0.535 0.000 1.058 416 V CA 1.384 63.287 62.300 -0.662 0.000 1.064 416 V CB 0.046 31.036 31.823 -1.387 0.000 0.675 416 V HN 0.257 nan 8.190 nan 0.000 0.461 417 V N 0.881 120.625 119.914 -0.283 0.000 2.252 417 V HA -0.224 3.897 4.120 0.001 0.000 0.249 417 V C 2.688 178.666 176.094 -0.193 0.000 1.056 417 V CA 2.452 64.630 62.300 -0.203 0.000 1.022 417 V CB -1.432 30.351 31.823 -0.067 0.000 0.641 417 V HN 0.640 nan 8.190 nan 0.000 0.445 418 G N -0.775 107.945 108.800 -0.133 0.000 2.408 418 G HA2 -0.214 3.746 3.960 0.001 0.000 0.217 418 G HA3 -0.214 3.746 3.960 0.001 0.000 0.217 418 G C 1.739 176.578 174.900 -0.100 0.000 1.150 418 G CA 0.639 45.684 45.100 -0.092 0.000 0.776 418 G HN 0.459 nan 8.290 nan 0.000 0.542 419 R N 0.388 120.798 120.500 -0.150 0.000 2.073 419 R HA 0.157 4.498 4.340 0.001 0.000 0.229 419 R C 3.030 179.249 176.300 -0.134 0.000 1.120 419 R CA 0.946 56.994 56.100 -0.087 0.000 0.967 419 R CB -0.322 29.969 30.300 -0.014 0.000 0.862 419 R HN 0.323 nan 8.270 nan 0.000 0.436 420 A N 1.741 124.311 122.820 -0.417 0.000 1.877 420 A HA -0.176 4.145 4.320 0.001 0.000 0.216 420 A C 1.711 179.228 177.584 -0.112 0.000 1.186 420 A CA 1.540 53.380 52.037 -0.328 0.000 0.620 420 A CB -0.416 18.309 19.000 -0.458 0.000 0.822 420 A HN 0.221 nan 8.150 nan 0.000 0.443 421 N N 0.284 118.908 118.700 -0.126 0.000 2.396 421 N HA -0.079 4.662 4.740 0.001 0.000 0.180 421 N C 0.385 175.876 175.510 -0.032 0.000 1.028 421 N CA 0.462 53.465 53.050 -0.078 0.000 0.893 421 N CB -0.540 37.891 38.487 -0.094 0.000 0.967 421 N HN 0.425 nan 8.380 nan 0.000 0.440 422 N N 1.115 119.805 118.700 -0.017 0.000 2.605 422 N HA 0.020 4.761 4.740 0.001 0.000 0.282 422 N C -1.317 174.211 175.510 0.030 0.000 1.206 422 N CA 0.169 53.223 53.050 0.007 0.000 1.074 422 N CB -0.279 38.217 38.487 0.016 0.000 1.434 422 N HN -0.063 nan 8.380 nan 0.000 0.506 423 S N 0.383 116.094 115.700 0.018 0.000 2.556 423 S HA 0.175 4.646 4.470 0.001 0.000 0.280 423 S C 0.741 175.329 174.600 -0.020 0.000 1.141 423 S CA -0.358 57.858 58.200 0.026 0.000 0.883 423 S CB 0.111 63.369 63.200 0.097 0.000 1.103 423 S HN 0.426 nan 8.310 nan 0.000 0.453 424 T N 0.995 115.482 114.554 -0.112 0.000 3.113 424 T HA 0.255 4.605 4.350 0.001 0.000 0.256 424 T C 0.457 175.045 174.700 -0.186 0.000 1.131 424 T CA 0.465 62.459 62.100 -0.177 0.000 1.074 424 T CB -0.548 68.158 68.868 -0.270 0.000 0.944 424 T HN 0.547 nan 8.240 nan 0.000 0.516 425 Y N 0.326 120.640 120.300 0.023 0.000 2.403 425 Y HA 0.571 5.122 4.550 0.001 0.000 0.323 425 Y C 1.270 177.178 175.900 0.014 0.000 1.226 425 Y CA -0.898 57.217 58.100 0.025 0.000 1.235 425 Y CB 1.798 40.279 38.460 0.034 0.000 1.248 425 Y HN 0.125 nan 8.280 nan 0.000 0.489 426 G N 1.625 110.543 108.800 0.196 0.000 5.528 426 G HA2 0.081 4.042 3.960 0.001 0.000 0.194 426 G HA3 0.081 4.042 3.960 0.001 0.000 0.194 426 G C -0.072 174.815 174.900 -0.022 0.000 0.679 426 G CA -0.243 44.888 45.100 0.052 0.000 0.640 426 G HN 0.565 nan 8.290 nan 0.000 0.397 427 L N 0.694 121.910 121.223 -0.011 0.000 2.023 427 L HA 0.697 5.038 4.340 0.001 0.000 0.205 427 L C 1.191 177.924 176.870 -0.228 0.000 1.073 427 L CA 2.371 57.145 54.840 -0.110 0.000 0.745 427 L CB -0.100 41.942 42.059 -0.028 0.000 0.900 427 L HN 0.420 nan 8.230 nan 0.000 0.435 428 A N -2.229 120.515 122.820 -0.126 0.000 2.583 428 A HA 0.902 5.223 4.320 0.001 0.000 0.289 428 A C -1.420 176.107 177.584 -0.095 0.000 1.151 428 A CA -0.102 51.803 52.037 -0.220 0.000 0.695 428 A CB 1.003 19.914 19.000 -0.148 0.000 1.290 428 A HN 0.505 nan 8.150 nan 0.000 0.419 429 A N -1.226 121.513 122.820 -0.136 0.000 2.601 429 A HA 0.973 5.294 4.320 0.001 0.000 0.291 429 A C -0.667 177.006 177.584 0.147 0.000 1.075 429 A CA 0.094 52.164 52.037 0.055 0.000 0.671 429 A CB 0.725 19.697 19.000 -0.048 0.000 1.277 429 A HN 2.638 nan 8.150 nan 0.000 0.417 430 A N -0.219 122.808 122.820 0.344 0.000 2.515 430 A HA 0.832 5.153 4.320 0.001 0.000 0.296 430 A C -1.455 176.337 177.584 0.346 0.000 1.094 430 A CA -0.561 51.725 52.037 0.415 0.000 0.718 430 A CB 1.686 21.178 19.000 0.820 0.000 1.307 430 A HN 1.734 nan 8.150 nan 0.000 0.408 431 V N 1.073 121.128 119.914 0.235 0.000 2.623 431 V HA 0.530 4.651 4.120 0.001 0.000 0.304 431 V C -1.629 174.551 176.094 0.143 0.000 1.054 431 V CA -0.242 62.190 62.300 0.221 0.000 0.882 431 V CB 1.437 33.321 31.823 0.102 0.000 1.002 431 V HN 0.706 nan 8.190 nan 0.000 0.424 432 F N 2.823 122.895 119.950 0.203 0.000 2.402 432 F HA 0.791 5.319 4.527 0.001 0.000 0.355 432 F C 0.361 176.279 175.800 0.196 0.000 1.123 432 F CA -0.247 57.887 58.000 0.223 0.000 1.021 432 F CB 2.081 41.227 39.000 0.243 0.000 1.160 432 F HN 0.505 nan 8.300 nan 0.000 0.451 433 T N 1.932 116.647 114.554 0.269 0.000 2.827 433 T HA 0.269 4.619 4.350 0.001 0.000 0.328 433 T C 0.020 174.809 174.700 0.148 0.000 1.598 433 T CA -0.709 61.512 62.100 0.202 0.000 1.043 433 T CB 1.415 70.381 68.868 0.163 0.000 1.447 433 T HN 0.653 nan 8.240 nan 0.000 0.491 434 K N 0.720 121.195 120.400 0.124 0.000 2.367 434 K HA 0.186 4.507 4.320 0.001 0.000 0.194 434 K C -0.230 176.410 176.600 0.066 0.000 1.027 434 K CA -0.049 56.291 56.287 0.088 0.000 1.075 434 K CB 0.257 32.806 32.500 0.081 0.000 0.845 434 K HN 0.474 nan 8.250 nan 0.000 0.529 435 D N 1.006 121.449 120.400 0.072 0.000 2.295 435 D HA 0.022 4.662 4.640 0.001 0.000 0.248 435 D C 0.874 177.205 176.300 0.052 0.000 1.154 435 D CA -0.307 53.727 54.000 0.056 0.000 0.857 435 D CB 1.038 41.872 40.800 0.056 0.000 1.117 435 D HN -0.180 nan 8.370 nan 0.000 0.468 436 L N 4.317 125.564 121.223 0.040 0.000 1.963 436 L HA -0.212 4.129 4.340 0.001 0.000 0.220 436 L C 1.269 178.166 176.870 0.045 0.000 1.076 436 L CA 2.061 56.923 54.840 0.037 0.000 0.772 436 L CB -0.557 41.519 42.059 0.028 0.000 0.892 436 L HN 0.531 nan 8.230 nan 0.000 0.435 437 D N -0.501 119.926 120.400 0.044 0.000 2.117 437 D HA -0.178 4.463 4.640 0.001 0.000 0.197 437 D C 2.210 178.561 176.300 0.085 0.000 0.987 437 D CA 1.426 55.458 54.000 0.054 0.000 0.829 437 D CB -0.122 40.697 40.800 0.032 0.000 0.961 437 D HN 0.427 nan 8.370 nan 0.000 0.460 438 K N 0.614 121.056 120.400 0.071 0.000 2.057 438 K HA -0.066 4.255 4.320 0.001 0.000 0.207 438 K C 2.153 178.836 176.600 0.138 0.000 1.049 438 K CA 1.166 57.514 56.287 0.101 0.000 0.931 438 K CB -0.104 32.446 32.500 0.083 0.000 0.714 438 K HN 0.032 nan 8.250 nan 0.000 0.440 439 A N 2.105 124.982 122.820 0.095 0.000 1.877 439 A HA -0.209 4.112 4.320 0.001 0.000 0.216 439 A C 1.861 179.480 177.584 0.058 0.000 1.186 439 A CA 1.768 53.847 52.037 0.070 0.000 0.620 439 A CB -0.520 18.508 19.000 0.047 0.000 0.822 439 A HN 0.231 nan 8.150 nan 0.000 0.443 440 N N -1.546 117.193 118.700 0.064 0.000 2.188 440 N HA -0.151 4.589 4.740 0.001 0.000 0.184 440 N C 1.580 177.126 175.510 0.061 0.000 1.018 440 N CA 1.627 54.705 53.050 0.047 0.000 0.858 440 N CB -0.626 37.888 38.487 0.045 0.000 0.989 440 N HN 0.690 nan 8.380 nan 0.000 0.426 441 Y N 1.487 121.779 120.300 -0.014 0.000 2.128 441 Y HA -0.105 4.446 4.550 0.001 0.000 0.284 441 Y C 2.133 178.011 175.900 -0.036 0.000 1.154 441 Y CA 1.474 59.562 58.100 -0.020 0.000 1.149 441 Y CB -0.395 38.058 38.460 -0.011 0.000 0.976 441 Y HN -0.038 nan 8.280 nan 0.000 0.505 442 L N -0.249 120.994 121.223 0.034 0.000 2.072 442 L HA -0.164 4.177 4.340 0.001 0.000 0.205 442 L C 2.764 179.546 176.870 -0.146 0.000 1.079 442 L CA 1.375 56.165 54.840 -0.083 0.000 0.752 442 L CB -0.744 41.346 42.059 0.050 0.000 0.906 442 L HN 0.371 nan 8.230 nan 0.000 0.436 443 S N -0.884 114.758 115.700 -0.096 0.000 2.402 443 S HA -0.278 4.193 4.470 0.001 0.000 0.229 443 S C 1.905 176.412 174.600 -0.155 0.000 1.021 443 S CA 1.263 59.391 58.200 -0.121 0.000 0.974 443 S CB -0.337 62.811 63.200 -0.086 0.000 0.800 443 S HN 0.503 nan 8.310 nan 0.000 0.484 444 Q N 1.189 120.894 119.800 -0.157 0.000 2.083 444 Q HA 0.093 4.434 4.340 0.001 0.000 0.198 444 Q C 2.259 178.129 176.000 -0.216 0.000 0.969 444 Q CA 1.134 56.839 55.803 -0.163 0.000 0.838 444 Q CB -0.501 28.155 28.738 -0.137 0.000 0.900 444 Q HN 0.692 nan 8.270 nan 0.000 0.436 445 A N 0.694 123.322 122.820 -0.320 0.000 1.968 445 A HA 0.061 4.382 4.320 0.001 0.000 0.217 445 A C 0.976 178.403 177.584 -0.261 0.000 1.169 445 A CA 0.216 52.045 52.037 -0.346 0.000 0.638 445 A CB -0.394 18.258 19.000 -0.579 0.000 0.812 445 A HN 0.379 nan 8.150 nan 0.000 0.446 446 L N 0.904 121.973 121.223 -0.256 0.000 2.462 446 L HA 0.034 4.375 4.340 0.001 0.000 0.272 446 L C 0.132 176.818 176.870 -0.307 0.000 1.166 446 L CA -0.071 54.620 54.840 -0.247 0.000 0.880 446 L CB 0.538 42.462 42.059 -0.225 0.000 1.142 446 L HN 0.409 nan 8.230 nan 0.000 0.473 447 Q N 3.817 123.441 119.800 -0.294 0.000 3.006 447 Q HA 0.500 4.841 4.340 0.001 0.000 0.260 447 Q C -0.440 175.176 176.000 -0.640 0.000 1.356 447 Q CA -0.272 55.293 55.803 -0.397 0.000 1.070 447 Q CB 0.806 29.465 28.738 -0.132 0.000 1.507 447 Q HN 0.672 nan 8.270 nan 0.000 0.568 448 A N -0.278 121.962 122.820 -0.967 0.000 2.515 448 A HA 0.681 5.002 4.320 0.001 0.000 0.298 448 A C 0.911 177.938 177.584 -0.928 0.000 1.059 448 A CA -0.446 51.123 52.037 -0.780 0.000 0.698 448 A CB 1.237 19.980 19.000 -0.428 0.000 1.289 448 A HN 0.544 nan 8.150 nan 0.000 0.404 449 G N 0.197 108.708 108.800 -0.481 0.000 2.422 449 G HA2 0.243 4.204 3.960 0.001 0.000 0.218 449 G HA3 0.243 4.204 3.960 0.001 0.000 0.218 449 G C 0.532 175.199 174.900 -0.388 0.000 1.146 449 G CA 1.728 46.689 45.100 -0.232 0.000 0.769 449 G HN 0.846 nan 8.290 nan 0.000 0.547 450 T N -0.873 113.360 114.554 -0.534 0.000 2.921 450 T HA 0.457 4.808 4.350 0.001 0.000 0.297 450 T C -1.364 172.893 174.700 -0.738 0.000 1.013 450 T CA -0.403 61.294 62.100 -0.671 0.000 0.990 450 T CB 2.702 71.029 68.868 -0.902 0.000 1.023 450 T HN 0.034 nan 8.240 nan 0.000 0.447 451 V N 4.924 124.473 119.914 -0.607 0.000 2.350 451 V HA 0.520 4.640 4.120 0.001 0.000 0.285 451 V C -1.181 174.682 176.094 -0.385 0.000 1.014 451 V CA -0.680 61.359 62.300 -0.436 0.000 0.831 451 V CB 0.507 32.169 31.823 -0.268 0.000 1.000 451 V HN 0.797 nan 8.190 nan 0.000 0.433 452 W N 5.163 126.356 121.300 -0.178 0.000 2.365 452 W HA 0.558 5.218 4.660 0.001 0.000 0.316 452 W C -0.454 175.969 176.519 -0.160 0.000 1.164 452 W CA -0.613 56.627 57.345 -0.176 0.000 1.204 452 W CB 1.794 31.117 29.460 -0.228 0.000 1.213 452 W HN 0.332 nan 8.180 nan 0.000 0.539 453 V N 5.071 125.020 119.914 0.057 0.000 2.378 453 V HA 0.123 4.244 4.120 0.001 0.000 0.288 453 V C 0.213 176.193 176.094 -0.190 0.000 1.016 453 V CA -0.835 61.418 62.300 -0.078 0.000 0.840 453 V CB 1.013 32.817 31.823 -0.031 0.000 0.994 453 V HN 0.675 nan 8.190 nan 0.000 0.431 454 N N 2.164 120.511 118.700 -0.588 0.000 2.741 454 N HA -0.172 4.569 4.740 0.001 0.000 0.250 454 N C -0.259 175.148 175.510 -0.172 0.000 1.115 454 N CA 1.271 53.963 53.050 -0.597 0.000 0.724 454 N CB -1.175 37.295 38.487 -0.029 0.000 1.090 454 N HN 1.032 nan 8.380 nan 0.000 0.558 455 C N -4.155 114.946 119.300 -0.332 0.000 3.272 455 C HA 0.814 5.275 4.460 0.001 0.000 0.363 455 C C -1.099 173.982 174.990 0.153 0.000 1.514 455 C CA -1.310 57.787 59.018 0.132 0.000 1.185 455 C CB 1.836 29.659 27.740 0.138 0.000 1.716 455 C HN 0.265 nan 8.230 nan 0.000 0.440 456 Y N -0.160 120.019 120.300 -0.201 0.000 2.558 456 Y HA 0.452 5.002 4.550 0.001 0.000 0.333 456 Y C -0.399 174.943 175.900 -0.930 0.000 1.125 456 Y CA 0.384 58.124 58.100 -0.600 0.000 1.039 456 Y CB 1.321 39.727 38.460 -0.091 0.000 1.331 456 Y HN 1.015 nan 8.280 nan 0.000 0.456 457 D N 1.748 121.009 120.400 -1.898 0.000 2.811 457 D HA -0.143 4.497 4.640 0.001 0.000 0.231 457 D C -0.834 175.157 176.300 -0.514 0.000 1.157 457 D CA 0.964 54.399 54.000 -0.942 0.000 0.716 457 D CB -1.023 39.612 40.800 -0.275 0.000 1.077 457 D HN 0.157 nan 8.370 nan 0.000 0.428 458 V N 1.359 120.758 119.914 -0.858 0.000 2.356 458 V HA 0.233 4.354 4.120 0.001 0.000 0.258 458 V C 0.541 176.615 176.094 -0.034 0.000 1.065 458 V CA -0.093 62.083 62.300 -0.207 0.000 0.935 458 V CB -0.139 31.623 31.823 -0.101 0.000 1.061 458 V HN -0.017 nan 8.190 nan 0.000 0.484 459 F N 2.616 122.605 119.950 0.064 0.000 2.450 459 F HA 0.806 5.333 4.527 0.001 0.000 0.332 459 F C 0.795 176.603 175.800 0.012 0.000 1.093 459 F CA -0.473 57.565 58.000 0.063 0.000 1.003 459 F CB 2.112 41.126 39.000 0.023 0.000 1.151 459 F HN 0.490 nan 8.300 nan 0.000 0.474 460 G N 0.228 109.105 108.800 0.128 0.000 2.701 460 G HA2 0.511 4.472 3.960 0.001 0.000 0.300 460 G HA3 0.511 4.472 3.960 0.001 0.000 0.300 460 G C 0.079 174.891 174.900 -0.145 0.000 1.410 460 G CA -0.371 44.726 45.100 -0.004 0.000 1.014 460 G HN 0.872 nan 8.290 nan 0.000 0.509 461 A N 1.067 123.725 122.820 -0.270 0.000 2.076 461 A HA -0.074 4.247 4.320 0.001 0.000 0.220 461 A C 2.101 179.089 177.584 -0.993 0.000 1.160 461 A CA 1.872 53.561 52.037 -0.579 0.000 0.653 461 A CB -0.121 18.525 19.000 -0.590 0.000 0.801 461 A HN 0.582 nan 8.150 nan 0.000 0.455 462 Q N -0.153 119.238 119.800 -0.682 0.000 2.245 462 Q HA 0.132 4.472 4.340 0.001 0.000 0.201 462 Q C 0.342 176.275 176.000 -0.112 0.000 0.955 462 Q CA 0.811 56.353 55.803 -0.434 0.000 0.870 462 Q CB 0.135 28.787 28.738 -0.143 0.000 0.945 462 Q HN 0.479 nan 8.270 nan 0.000 0.461 463 S N 1.626 117.263 115.700 -0.106 0.000 2.451 463 S HA 0.467 4.938 4.470 0.001 0.000 0.301 463 S C -2.540 172.044 174.600 -0.026 0.000 1.116 463 S CA -1.461 56.728 58.200 -0.019 0.000 1.093 463 S CB 1.382 64.567 63.200 -0.025 0.000 1.017 463 S HN -0.031 nan 8.310 nan 0.000 0.482 464 P HA 0.387 nan 4.420 nan 0.000 0.272 464 P C -1.026 176.269 177.300 -0.008 0.000 1.223 464 P CA -0.338 62.736 63.100 -0.044 0.000 0.784 464 P CB 0.307 31.860 31.700 -0.245 0.000 0.923 465 F N 0.978 120.839 119.950 -0.148 0.000 2.574 465 F HA 0.696 5.224 4.527 0.001 0.000 0.313 465 F C -0.319 175.467 175.800 -0.024 0.000 1.130 465 F CA 0.170 58.118 58.000 -0.087 0.000 0.936 465 F CB 1.921 40.936 39.000 0.025 0.000 1.219 465 F HN 0.605 nan 8.300 nan 0.000 0.445 466 G N 2.389 110.806 108.800 -0.639 0.000 2.387 466 G HA2 0.469 4.430 3.960 0.001 0.000 0.294 466 G HA3 0.469 4.430 3.960 0.001 0.000 0.294 466 G C -1.439 173.253 174.900 -0.347 0.000 1.509 466 G CA -0.241 44.632 45.100 -0.378 0.000 0.806 466 G HN 0.972 nan 8.290 nan 0.000 0.546 467 G N -1.072 107.629 108.800 -0.165 0.000 2.425 467 G HA2 0.561 4.522 3.960 0.001 0.000 0.302 467 G HA3 0.561 4.522 3.960 0.001 0.000 0.302 467 G C -0.936 174.008 174.900 0.073 0.000 1.159 467 G CA -0.318 44.752 45.100 -0.050 0.000 0.865 467 G HN 0.431 nan 8.290 nan 0.000 0.515 468 Y N 0.660 120.891 120.300 -0.115 0.000 2.392 468 Y HA 0.374 4.925 4.550 0.002 0.000 0.323 468 Y C 1.525 177.400 175.900 -0.041 0.000 1.291 468 Y CA -0.526 57.524 58.100 -0.083 0.000 1.345 468 Y CB 1.104 39.511 38.460 -0.089 0.000 1.320 468 Y HN 0.832 nan 8.280 nan 0.000 0.518 469 K N -0.472 119.985 120.400 0.094 0.000 1.867 469 K HA -0.320 4.001 4.320 0.001 0.000 0.140 469 K C 0.538 177.159 176.600 0.035 0.000 1.408 469 K CA 1.926 58.242 56.287 0.047 0.000 0.461 469 K CB -1.086 31.451 32.500 0.062 0.000 0.594 469 K HN 0.657 nan 8.250 nan 0.000 0.888 470 M N 1.076 120.695 119.600 0.032 0.000 2.530 470 M HA 0.048 4.529 4.480 0.001 0.000 0.231 470 M C 0.631 177.025 176.300 0.156 0.000 1.180 470 M CA 0.466 55.789 55.300 0.038 0.000 0.985 470 M CB 0.261 32.827 32.600 -0.056 0.000 1.623 470 M HN 0.278 nan 8.290 nan 0.000 0.475 471 S N 0.587 116.396 115.700 0.181 0.000 2.605 471 S HA 0.386 4.857 4.470 0.001 0.000 0.217 471 S C 0.859 175.520 174.600 0.101 0.000 0.958 471 S CA 0.331 58.644 58.200 0.188 0.000 0.919 471 S CB 0.202 63.492 63.200 0.151 0.000 0.780 471 S HN 0.786 nan 8.310 nan 0.000 0.507 472 G N 1.055 109.902 108.800 0.079 0.000 2.353 472 G HA2 0.185 4.146 3.960 0.001 0.000 0.615 472 G HA3 0.185 4.146 3.960 0.001 0.000 0.615 472 G C -0.904 174.002 174.900 0.010 0.000 1.280 472 G CA -0.504 44.630 45.100 0.057 0.000 1.000 472 G HN 0.745 nan 8.290 nan 0.000 0.516 473 S N -1.019 114.683 115.700 0.003 0.000 2.546 473 S HA 1.050 5.521 4.470 0.001 0.000 0.274 473 S C 0.399 174.982 174.600 -0.029 0.000 1.121 473 S CA 0.504 58.682 58.200 -0.035 0.000 0.887 473 S CB 1.676 64.850 63.200 -0.044 0.000 1.094 473 S HN 3.083 nan 8.310 nan 0.000 0.474 474 G N 1.573 110.341 108.800 -0.052 0.000 2.712 474 G HA2 0.137 4.098 3.960 0.001 0.000 0.683 474 G HA3 0.137 4.098 3.960 0.001 0.000 0.683 474 G C -1.496 173.385 174.900 -0.032 0.000 1.320 474 G CA -1.078 44.001 45.100 -0.036 0.000 0.847 474 G HN 0.811 nan 8.290 nan 0.000 0.553 475 R N 0.315 120.811 120.500 -0.006 0.000 2.744 475 R HA 0.589 4.930 4.340 0.001 0.000 0.279 475 R C -0.101 176.236 176.300 0.062 0.000 0.977 475 R CA -0.703 55.395 56.100 -0.004 0.000 0.906 475 R CB 1.888 32.146 30.300 -0.070 0.000 1.197 475 R HN 0.774 nan 8.270 nan 0.000 0.463 476 E N 1.838 122.082 120.200 0.073 0.000 2.264 476 E HA 0.592 4.942 4.350 0.001 0.000 0.260 476 E C -0.205 176.377 176.600 -0.030 0.000 0.961 476 E CA -0.957 55.474 56.400 0.053 0.000 0.834 476 E CB 1.518 31.270 29.700 0.086 0.000 1.230 476 E HN 0.301 nan 8.360 nan 0.000 0.412 477 L N -0.294 120.909 121.223 -0.034 0.000 0.587 477 L HA -0.286 4.055 4.340 0.001 0.000 0.356 477 L C 0.642 177.605 176.870 0.156 0.000 0.984 477 L CA 0.846 55.685 54.840 -0.002 0.000 1.223 477 L CB -1.463 40.406 42.059 -0.316 0.000 0.012 477 L HN 1.025 nan 8.230 nan 0.000 0.092 478 G N 0.111 108.973 108.800 0.104 0.000 2.752 478 G HA2 -0.282 3.679 3.960 0.001 0.000 0.234 478 G HA3 -0.282 3.679 3.960 0.001 0.000 0.234 478 G C 0.399 175.498 174.900 0.331 0.000 1.367 478 G CA 0.882 46.151 45.100 0.282 0.000 0.879 478 G HN 1.173 nan 8.290 nan 0.000 0.563 479 E N -1.000 119.332 120.200 0.219 0.000 2.118 479 E HA -0.160 4.190 4.350 0.001 0.000 0.195 479 E C 2.139 178.542 176.600 -0.329 0.000 0.992 479 E CA 2.017 58.213 56.400 -0.340 0.000 0.804 479 E CB -0.179 29.364 29.700 -0.263 0.000 0.741 479 E HN 0.629 nan 8.360 nan 0.000 0.458 480 Y N -0.222 120.044 120.300 -0.056 0.000 2.256 480 Y HA -0.095 4.455 4.550 0.001 0.000 0.288 480 Y C 2.447 178.313 175.900 -0.056 0.000 1.155 480 Y CA 1.102 59.175 58.100 -0.044 0.000 1.203 480 Y CB -0.678 37.778 38.460 -0.006 0.000 0.980 480 Y HN 0.164 nan 8.280 nan 0.000 0.530 481 G N -0.226 108.667 108.800 0.154 0.000 2.535 481 G HA2 -0.171 3.789 3.960 0.001 0.000 0.218 481 G HA3 -0.171 3.789 3.960 0.001 0.000 0.218 481 G C 1.486 176.387 174.900 0.001 0.000 1.122 481 G CA 0.683 45.851 45.100 0.114 0.000 0.769 481 G HN 0.394 nan 8.290 nan 0.000 0.549 482 L N -0.697 120.401 121.223 -0.208 0.000 2.240 482 L HA 0.004 4.345 4.340 0.001 0.000 0.211 482 L C 2.990 179.711 176.870 -0.248 0.000 1.106 482 L CA 0.493 55.078 54.840 -0.424 0.000 0.793 482 L CB -0.327 41.022 42.059 -1.184 0.000 0.927 482 L HN 0.246 nan 8.230 nan 0.000 0.446 483 Q N 0.344 120.057 119.800 -0.144 0.000 2.061 483 Q HA -0.205 4.135 4.340 0.001 0.000 0.204 483 Q C 2.363 178.332 176.000 -0.052 0.000 0.984 483 Q CA 1.821 57.605 55.803 -0.031 0.000 0.846 483 Q CB -0.296 28.452 28.738 0.016 0.000 0.902 483 Q HN 0.551 nan 8.270 nan 0.000 0.421 484 A N -0.461 122.302 122.820 -0.094 0.000 2.172 484 A HA -0.118 4.202 4.320 0.001 0.000 0.216 484 A C 0.893 178.228 177.584 -0.414 0.000 1.154 484 A CA 0.853 52.737 52.037 -0.254 0.000 0.701 484 A CB -0.284 18.511 19.000 -0.342 0.000 0.789 484 A HN 0.420 nan 8.150 nan 0.000 0.465 485 Y N -0.495 119.761 120.300 -0.073 0.000 2.507 485 Y HA 0.184 4.735 4.550 0.001 0.000 0.254 485 Y C 0.283 176.169 175.900 -0.023 0.000 1.171 485 Y CA 0.076 58.141 58.100 -0.058 0.000 1.238 485 Y CB 0.551 38.960 38.460 -0.085 0.000 1.148 485 Y HN 0.063 nan 8.280 nan 0.000 0.525 486 T N 0.422 115.014 114.554 0.063 0.000 2.797 486 T HA 0.320 4.671 4.350 0.001 0.000 0.279 486 T C -0.787 173.917 174.700 0.007 0.000 0.991 486 T CA -0.653 61.486 62.100 0.066 0.000 0.979 486 T CB 1.777 70.695 68.868 0.084 0.000 0.943 486 T HN -0.053 nan 8.240 nan 0.000 0.444 487 E N 2.253 122.477 120.200 0.039 0.000 2.156 487 E HA 0.491 4.842 4.350 0.001 0.000 0.279 487 E C -1.042 175.573 176.600 0.025 0.000 0.965 487 E CA -0.553 55.861 56.400 0.023 0.000 0.789 487 E CB 0.937 30.669 29.700 0.054 0.000 1.098 487 E HN 0.326 nan 8.360 nan 0.000 0.397 488 V N 5.374 125.285 119.914 -0.005 0.000 2.407 488 V HA 0.321 4.442 4.120 0.001 0.000 0.278 488 V C 0.012 176.125 176.094 0.032 0.000 1.037 488 V CA -0.569 61.745 62.300 0.024 0.000 0.900 488 V CB 1.192 33.006 31.823 -0.015 0.000 0.983 488 V HN 0.577 nan 8.190 nan 0.000 0.459 489 K N 3.279 123.711 120.400 0.053 0.000 2.323 489 K HA 0.517 4.838 4.320 0.001 0.000 0.259 489 K C -0.530 176.040 176.600 -0.049 0.000 0.947 489 K CA -0.373 55.915 56.287 0.002 0.000 0.819 489 K CB 1.496 34.003 32.500 0.012 0.000 1.109 489 K HN 0.681 nan 8.250 nan 0.000 0.429 490 T N 2.991 117.485 114.554 -0.101 0.000 2.806 490 T HA 0.269 4.619 4.350 0.001 0.000 0.290 490 T C -0.611 173.910 174.700 -0.298 0.000 0.966 490 T CA -0.539 61.445 62.100 -0.192 0.000 1.060 490 T CB 1.121 69.893 68.868 -0.160 0.000 0.927 490 T HN 0.310 nan 8.240 nan 0.000 0.485 491 V N 4.032 123.609 119.914 -0.562 0.000 2.409 491 V HA 0.461 4.582 4.120 0.001 0.000 0.291 491 V C 0.137 175.827 176.094 -0.673 0.000 1.020 491 V CA -0.723 61.181 62.300 -0.660 0.000 0.848 491 V CB 1.709 32.965 31.823 -0.945 0.000 0.990 491 V HN 0.955 nan 8.190 nan 0.000 0.430 492 T N 4.595 118.929 114.554 -0.367 0.000 2.815 492 T HA 0.580 4.931 4.350 0.001 0.000 0.289 492 T C -0.444 174.215 174.700 -0.069 0.000 1.000 492 T CA -0.361 61.592 62.100 -0.245 0.000 0.958 492 T CB 1.514 70.232 68.868 -0.250 0.000 0.944 492 T HN 0.339 nan 8.240 nan 0.000 0.442 493 V N 3.937 123.893 119.914 0.070 0.000 2.448 493 V HA 0.437 4.558 4.120 0.001 0.000 0.295 493 V C 0.366 176.659 176.094 0.331 0.000 1.025 493 V CA -1.167 61.248 62.300 0.191 0.000 0.859 493 V CB 1.785 33.748 31.823 0.233 0.000 0.988 493 V HN 0.750 nan 8.190 nan 0.000 0.431 494 K N 4.059 124.629 120.400 0.285 0.000 2.416 494 K HA 0.391 4.712 4.320 0.001 0.000 0.283 494 K C -0.397 176.227 176.600 0.039 0.000 1.037 494 K CA -0.121 56.243 56.287 0.128 0.000 0.995 494 K CB 0.796 33.350 32.500 0.090 0.000 0.938 494 K HN 0.677 nan 8.250 nan 0.000 0.475 495 V N 2.043 121.920 119.914 -0.062 0.000 3.046 495 V HA 0.444 4.565 4.120 0.001 0.000 0.316 495 V C -2.157 173.884 176.094 -0.089 0.000 1.104 495 V CA -1.849 60.432 62.300 -0.032 0.000 1.006 495 V CB 1.347 33.176 31.823 0.011 0.000 1.058 495 V HN 0.665 nan 8.190 nan 0.000 0.440 496 P HA -0.022 nan 4.420 nan 0.000 0.215 496 P C 0.047 177.302 177.300 -0.076 0.000 1.157 496 P CA 1.212 64.274 63.100 -0.062 0.000 0.863 496 P CB 0.140 31.815 31.700 -0.041 0.000 0.787 497 Q N -0.839 118.920 119.800 -0.067 0.000 2.605 497 Q HA 0.123 4.464 4.340 0.001 0.000 0.228 497 Q C -0.972 174.999 176.000 -0.049 0.000 0.805 497 Q CA -0.691 55.075 55.803 -0.062 0.000 0.894 497 Q CB 0.906 29.615 28.738 -0.047 0.000 1.469 497 Q HN -0.215 nan 8.270 nan 0.000 0.445 498 K N 3.733 124.105 120.400 -0.047 0.000 2.451 498 K HA 0.195 4.516 4.320 0.001 0.000 0.280 498 K C -1.123 175.469 176.600 -0.012 0.000 1.020 498 K CA 0.510 56.788 56.287 -0.015 0.000 1.008 498 K CB 0.478 32.986 32.500 0.012 0.000 0.917 498 K HN 0.727 nan 8.250 nan 0.000 0.478 499 N N 1.208 119.902 118.700 -0.011 0.000 2.321 499 N HA 0.133 4.874 4.740 0.001 0.000 0.290 499 N C -0.646 174.862 175.510 -0.003 0.000 1.212 499 N CA -0.527 52.517 53.050 -0.010 0.000 0.767 499 N CB 1.778 40.253 38.487 -0.020 0.000 1.494 499 N HN 0.682 nan 8.380 nan 0.000 0.479 500 S N 0.000 115.700 115.700 -0.000 0.000 2.498 500 S HA 0.000 4.471 4.470 0.001 0.000 0.327 500 S CA 0.000 58.202 58.200 0.004 0.000 1.107 500 S CB 0.000 63.203 63.200 0.005 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517