REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2onm_1_K DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT KVKTVTVKVP QKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.574 177.584 -0.016 0.000 1.274 7 A CA 0.000 52.049 52.037 0.020 0.000 0.836 7 A CB 0.000 19.028 19.000 0.046 0.000 0.831 8 V N 2.472 122.340 119.914 -0.076 0.000 2.409 8 V HA 0.555 4.675 4.120 -0.000 0.000 0.291 8 V C -1.808 174.180 176.094 -0.176 0.000 1.020 8 V CA -1.417 60.727 62.300 -0.260 0.000 0.848 8 V CB 1.497 33.186 31.823 -0.223 0.000 0.990 8 V HN 0.644 nan 8.190 nan 0.000 0.430 9 P HA 0.266 nan 4.420 nan 0.000 0.269 9 P C -0.275 177.035 177.300 0.018 0.000 1.215 9 P CA -0.205 62.850 63.100 -0.074 0.000 0.780 9 P CB 0.813 32.486 31.700 -0.046 0.000 0.898 10 A N 4.131 126.949 122.820 -0.003 0.000 2.524 10 A HA 0.326 4.646 4.320 -0.000 0.000 0.250 10 A C -1.532 175.979 177.584 -0.123 0.000 1.078 10 A CA -0.765 51.243 52.037 -0.049 0.000 0.761 10 A CB -1.107 17.863 19.000 -0.050 0.000 1.012 10 A HN 0.469 nan 8.150 nan 0.000 0.500 11 P HA 0.176 nan 4.420 nan 0.000 0.279 11 P C -0.874 176.204 177.300 -0.370 0.000 1.252 11 P CA -0.695 62.088 63.100 -0.528 0.000 0.811 11 P CB 0.839 31.794 31.700 -1.242 0.000 1.035 12 N N 1.427 119.954 118.700 -0.288 0.000 2.469 12 N HA 0.033 4.773 4.740 -0.000 0.000 0.239 12 N C 0.830 176.038 175.510 -0.503 0.000 1.053 12 N CA 0.006 52.896 53.050 -0.266 0.000 0.937 12 N CB 0.248 38.679 38.487 -0.094 0.000 1.163 12 N HN 0.223 nan 8.380 nan 0.000 0.509 13 Q N 1.640 120.988 119.800 -0.753 0.000 2.561 13 Q HA -0.076 4.264 4.340 -0.000 0.000 0.217 13 Q C -0.236 175.330 176.000 -0.724 0.000 0.980 13 Q CA 0.940 55.945 55.803 -1.330 0.000 0.927 13 Q CB 0.156 28.291 28.738 -1.004 0.000 0.980 13 Q HN 0.662 nan 8.270 nan 0.000 0.525 14 Q N 0.792 120.361 119.800 -0.385 0.000 3.394 14 Q HA 0.225 4.565 4.340 -0.000 0.000 0.285 14 Q C -2.487 173.437 176.000 -0.126 0.000 0.866 14 Q CA -1.406 54.278 55.803 -0.200 0.000 0.844 14 Q CB 1.481 30.123 28.738 -0.159 0.000 1.472 14 Q HN 0.126 nan 8.270 nan 0.000 0.401 15 P HA -0.044 nan 4.420 nan 0.000 0.268 15 P C -0.353 176.936 177.300 -0.020 0.000 1.205 15 P CA 0.097 63.201 63.100 0.007 0.000 0.771 15 P CB 1.104 32.774 31.700 -0.051 0.000 0.858 16 E N 1.342 121.534 120.200 -0.014 0.000 2.366 16 E HA 0.243 4.593 4.350 -0.000 0.000 0.266 16 E C -0.820 175.530 176.600 -0.418 0.000 1.051 16 E CA -0.716 55.502 56.400 -0.304 0.000 0.884 16 E CB 0.800 30.174 29.700 -0.543 0.000 1.006 16 E HN 0.150 nan 8.360 nan 0.000 0.417 17 V N 5.751 125.391 119.914 -0.457 0.000 2.370 17 V HA 0.140 4.260 4.120 -0.000 0.000 0.279 17 V C -0.070 175.750 176.094 -0.457 0.000 1.029 17 V CA -0.133 61.983 62.300 -0.308 0.000 0.870 17 V CB 0.846 32.567 31.823 -0.169 0.000 0.984 17 V HN 0.704 nan 8.190 nan 0.000 0.451 18 F N 1.812 121.771 119.950 0.016 0.000 2.678 18 F HA 0.234 4.761 4.527 -0.000 0.000 0.291 18 F C 0.989 176.660 175.800 -0.216 0.000 1.123 18 F CA -0.082 57.886 58.000 -0.054 0.000 1.395 18 F CB 0.303 39.320 39.000 0.030 0.000 1.121 18 F HN 0.372 nan 8.300 nan 0.000 0.592 19 C N 2.224 121.492 119.300 -0.052 0.000 2.340 19 C HA 0.438 4.898 4.460 -0.000 0.000 0.323 19 C C 0.380 175.191 174.990 -0.298 0.000 1.260 19 C CA -0.899 57.837 59.018 -0.470 0.000 1.464 19 C CB 0.401 27.863 27.740 -0.462 0.000 2.156 19 C HN 0.558 nan 8.230 nan 0.000 0.476 20 N N 1.230 119.725 118.700 -0.342 0.000 2.261 20 N HA 0.040 4.780 4.740 -0.000 0.000 0.241 20 N C -0.498 174.967 175.510 -0.075 0.000 1.374 20 N CA -0.269 52.684 53.050 -0.161 0.000 0.802 20 N CB 0.185 38.572 38.487 -0.166 0.000 1.339 20 N HN 0.783 nan 8.380 nan 0.000 0.498 21 Q N 0.106 119.920 119.800 0.024 0.000 2.962 21 Q HA 0.579 4.919 4.340 -0.000 0.000 0.282 21 Q C -0.370 175.925 176.000 0.492 0.000 1.058 21 Q CA -0.950 55.003 55.803 0.250 0.000 0.854 21 Q CB 1.937 30.852 28.738 0.295 0.000 1.441 21 Q HN 0.104 nan 8.270 nan 0.000 0.497 22 I N 1.272 122.096 120.570 0.423 0.000 2.395 22 I HA 0.162 4.332 4.170 -0.000 0.000 0.289 22 I C -0.772 175.546 176.117 0.335 0.000 1.023 22 I CA -0.147 61.364 61.300 0.352 0.000 1.350 22 I CB 0.413 38.565 38.000 0.253 0.000 1.409 22 I HN 0.378 nan 8.210 nan 0.000 0.507 23 F N 8.276 128.220 119.950 -0.010 0.000 2.332 23 F HA 0.593 5.120 4.527 -0.000 0.000 0.368 23 F C -0.504 175.185 175.800 -0.184 0.000 1.110 23 F CA -0.388 57.392 58.000 -0.367 0.000 1.087 23 F CB 0.402 39.042 39.000 -0.601 0.000 1.235 23 F HN 0.180 nan 8.300 nan 0.000 0.470 24 I N 5.663 125.959 120.570 -0.455 0.000 2.534 24 I HA 0.206 4.376 4.170 -0.000 0.000 0.288 24 I C -0.358 175.518 176.117 -0.400 0.000 1.077 24 I CA -1.015 60.116 61.300 -0.281 0.000 1.051 24 I CB 1.816 39.795 38.000 -0.034 0.000 1.234 24 I HN 0.498 nan 8.210 nan 0.000 0.425 25 N N 4.870 123.346 118.700 -0.372 0.000 2.727 25 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 25 N C 0.019 175.260 175.510 -0.449 0.000 1.048 25 N CA 1.308 54.179 53.050 -0.299 0.000 0.714 25 N CB -0.984 37.417 38.487 -0.143 0.000 0.959 25 N HN 0.957 nan 8.380 nan 0.000 0.544 26 N N -1.502 116.684 118.700 -0.856 0.000 2.741 26 N HA -0.231 4.509 4.740 -0.000 0.000 0.251 26 N C -1.065 173.954 175.510 -0.818 0.000 1.112 26 N CA 1.226 53.749 53.050 -0.879 0.000 0.750 26 N CB -0.394 37.935 38.487 -0.263 0.000 1.119 26 N HN 0.593 nan 8.380 nan 0.000 0.561 27 E N -0.537 119.076 120.200 -0.978 0.000 2.288 27 E HA 0.313 4.663 4.350 -0.000 0.000 0.268 27 E C -0.947 175.098 176.600 -0.924 0.000 0.885 27 E CA -0.660 55.304 56.400 -0.726 0.000 0.767 27 E CB 1.081 30.487 29.700 -0.490 0.000 1.220 27 E HN 0.124 nan 8.360 nan 0.000 0.427 28 W N 2.101 123.145 121.300 -0.428 0.000 2.338 28 W HA 0.262 4.922 4.660 -0.000 0.000 0.307 28 W C 0.406 176.662 176.519 -0.438 0.000 1.167 28 W CA -0.271 56.911 57.345 -0.272 0.000 1.208 28 W CB 0.772 30.202 29.460 -0.049 0.000 1.228 28 W HN 0.319 nan 8.180 nan 0.000 0.499 29 H N 1.588 120.812 119.070 0.256 0.000 2.747 29 H HA 0.276 4.832 4.556 -0.000 0.000 0.371 29 H C -0.535 174.885 175.328 0.153 0.000 1.161 29 H CA -0.839 55.298 56.048 0.148 0.000 1.167 29 H CB 1.735 31.538 29.762 0.068 0.000 1.732 29 H HN 0.298 nan 8.280 nan 0.000 0.544 30 D N 0.387 120.930 120.400 0.238 0.000 2.348 30 D HA 0.338 4.978 4.640 -0.000 0.000 0.249 30 D C 0.350 176.736 176.300 0.144 0.000 1.110 30 D CA -0.477 53.617 54.000 0.157 0.000 0.967 30 D CB 1.698 42.562 40.800 0.108 0.000 1.139 30 D HN 0.589 nan 8.370 nan 0.000 0.466 31 A N 0.731 123.621 122.820 0.117 0.000 2.466 31 A HA 0.086 4.406 4.320 -0.000 0.000 0.238 31 A C 1.527 179.158 177.584 0.079 0.000 1.074 31 A CA -0.401 51.697 52.037 0.103 0.000 0.774 31 A CB 0.332 19.396 19.000 0.106 0.000 1.015 31 A HN 0.421 nan 8.150 nan 0.000 0.498 32 V N 2.148 122.099 119.914 0.062 0.000 2.392 32 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 32 V C 2.681 178.804 176.094 0.049 0.000 1.059 32 V CA 2.738 65.064 62.300 0.044 0.000 1.051 32 V CB -0.937 30.905 31.823 0.032 0.000 0.658 32 V HN 1.118 nan 8.190 nan 0.000 0.455 33 S N -1.014 114.721 115.700 0.060 0.000 2.522 33 S HA -0.107 4.363 4.470 -0.000 0.000 0.227 33 S C 1.310 175.947 174.600 0.062 0.000 0.986 33 S CA 0.333 58.569 58.200 0.060 0.000 0.929 33 S CB -0.064 63.179 63.200 0.072 0.000 0.769 33 S HN 0.523 nan 8.310 nan 0.000 0.529 34 R N -0.312 120.228 120.500 0.066 0.000 3.922 34 R HA -0.108 4.232 4.340 -0.000 0.000 0.447 34 R C -0.539 175.801 176.300 0.065 0.000 1.035 34 R CA 1.333 57.470 56.100 0.061 0.000 1.289 34 R CB -2.375 27.954 30.300 0.050 0.000 1.906 34 R HN 0.578 nan 8.270 nan 0.000 0.540 35 K N 1.502 121.951 120.400 0.082 0.000 2.258 35 K HA 0.309 4.629 4.320 -0.000 0.000 0.264 35 K C 0.746 177.408 176.600 0.103 0.000 1.007 35 K CA 0.780 57.127 56.287 0.100 0.000 0.941 35 K CB 0.651 33.228 32.500 0.129 0.000 0.966 35 K HN 0.292 nan 8.250 nan 0.000 0.480 36 T N -1.010 113.605 114.554 0.103 0.000 2.900 36 T HA 0.618 4.968 4.350 -0.000 0.000 0.303 36 T C -0.863 173.908 174.700 0.120 0.000 1.142 36 T CA -1.068 61.059 62.100 0.045 0.000 1.007 36 T CB 0.653 69.499 68.868 -0.037 0.000 1.156 36 T HN 0.464 nan 8.240 nan 0.000 0.490 37 F N -0.014 119.938 119.950 0.003 0.000 2.546 37 F HA 0.894 5.421 4.527 -0.000 0.000 0.320 37 F C -3.022 172.785 175.800 0.012 0.000 1.076 37 F CA -3.056 54.962 58.000 0.031 0.000 0.928 37 F CB 1.487 40.472 39.000 -0.023 0.000 1.189 37 F HN 0.394 nan 8.300 nan 0.000 0.465 38 P HA 0.179 nan 4.420 nan 0.000 0.282 38 P C -0.954 176.421 177.300 0.124 0.000 1.249 38 P CA -0.201 62.924 63.100 0.042 0.000 0.806 38 P CB 1.926 33.673 31.700 0.079 0.000 0.984 39 T N 1.516 116.082 114.554 0.019 0.000 2.779 39 T HA 0.397 4.747 4.350 -0.000 0.000 0.280 39 T C -0.501 174.225 174.700 0.042 0.000 0.987 39 T CA -0.513 61.628 62.100 0.069 0.000 0.966 39 T CB 0.284 69.163 68.868 0.018 0.000 0.933 39 T HN 0.069 nan 8.240 nan 0.000 0.442 40 V N 5.675 125.624 119.914 0.060 0.000 2.617 40 V HA 0.415 4.535 4.120 -0.000 0.000 0.298 40 V C 0.659 176.770 176.094 0.028 0.000 1.048 40 V CA -1.027 61.302 62.300 0.048 0.000 0.964 40 V CB 1.580 33.456 31.823 0.088 0.000 1.004 40 V HN 0.943 nan 8.190 nan 0.000 0.466 41 N N 5.229 123.933 118.700 0.008 0.000 2.469 41 N HA 0.221 4.961 4.740 -0.000 0.000 0.239 41 N C -1.486 173.999 175.510 -0.043 0.000 1.053 41 N CA -1.547 51.496 53.050 -0.012 0.000 0.937 41 N CB 1.305 39.787 38.487 -0.008 0.000 1.163 41 N HN 0.428 nan 8.380 nan 0.000 0.509 42 P HA -0.105 nan 4.420 nan 0.000 0.226 42 P C 0.456 177.570 177.300 -0.311 0.000 1.146 42 P CA 0.981 64.048 63.100 -0.055 0.000 0.773 42 P CB 0.351 32.049 31.700 -0.004 0.000 0.772 43 S N -0.734 114.846 115.700 -0.199 0.000 2.470 43 S HA -0.022 4.448 4.470 -0.000 0.000 0.225 43 S C 1.793 176.387 174.600 -0.009 0.000 1.006 43 S CA 1.599 59.741 58.200 -0.097 0.000 0.934 43 S CB -0.497 62.739 63.200 0.060 0.000 0.778 43 S HN 0.446 nan 8.310 nan 0.000 0.517 44 T N -3.185 111.305 114.554 -0.106 0.000 2.958 44 T HA 0.462 4.811 4.350 -0.000 0.000 0.256 44 T C 1.445 176.030 174.700 -0.192 0.000 0.983 44 T CA 0.774 62.813 62.100 -0.102 0.000 0.924 44 T CB 0.406 69.247 68.868 -0.045 0.000 1.136 44 T HN 0.480 nan 8.240 nan 0.000 0.506 45 G N 1.591 110.228 108.800 -0.272 0.000 2.162 45 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 45 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 45 G C -0.235 174.618 174.900 -0.078 0.000 0.976 45 G CA 0.269 45.217 45.100 -0.254 0.000 0.655 45 G HN 0.690 nan 8.290 nan 0.000 0.533 46 E N -0.283 119.881 120.200 -0.061 0.000 2.283 46 E HA 0.494 4.844 4.350 -0.000 0.000 0.271 46 E C 0.289 176.882 176.600 -0.011 0.000 1.031 46 E CA -0.873 55.510 56.400 -0.029 0.000 0.868 46 E CB 2.098 31.779 29.700 -0.033 0.000 1.094 46 E HN 0.069 nan 8.360 nan 0.000 0.401 47 V N 3.611 123.521 119.914 -0.005 0.000 2.521 47 V HA -0.029 4.091 4.120 -0.000 0.000 0.286 47 V C 1.344 177.426 176.094 -0.021 0.000 1.034 47 V CA 0.490 62.788 62.300 -0.003 0.000 1.045 47 V CB 0.351 32.173 31.823 -0.002 0.000 0.974 47 V HN 0.672 nan 8.190 nan 0.000 0.480 48 I N 3.862 124.418 120.570 -0.024 0.000 2.277 48 I HA 0.027 4.197 4.170 -0.000 0.000 0.243 48 I C 0.991 177.072 176.117 -0.061 0.000 1.094 48 I CA 1.316 62.593 61.300 -0.040 0.000 1.393 48 I CB 0.171 38.150 38.000 -0.036 0.000 1.078 48 I HN 0.889 nan 8.210 nan 0.000 0.417 49 C N -2.062 117.196 119.300 -0.071 0.000 3.167 49 C HA 0.500 4.960 4.460 -0.000 0.000 0.348 49 C C -0.896 174.021 174.990 -0.123 0.000 1.394 49 C CA -1.147 57.815 59.018 -0.093 0.000 1.204 49 C CB 1.101 28.774 27.740 -0.112 0.000 1.467 49 C HN 0.211 nan 8.230 nan 0.000 0.446 50 Q N 0.261 119.978 119.800 -0.139 0.000 2.230 50 Q HA 0.830 5.170 4.340 -0.000 0.000 0.248 50 Q C -0.768 175.064 176.000 -0.281 0.000 0.915 50 Q CA -0.262 55.427 55.803 -0.190 0.000 0.900 50 Q CB 1.630 30.295 28.738 -0.122 0.000 1.229 50 Q HN 0.817 nan 8.270 nan 0.000 0.439 51 V N 1.699 121.318 119.914 -0.492 0.000 2.760 51 V HA 0.700 4.820 4.120 -0.000 0.000 0.309 51 V C -0.745 175.052 176.094 -0.495 0.000 1.077 51 V CA -1.231 60.741 62.300 -0.547 0.000 0.910 51 V CB 1.853 33.180 31.823 -0.828 0.000 1.008 51 V HN 0.945 nan 8.190 nan 0.000 0.424 52 A N 2.600 125.310 122.820 -0.183 0.000 2.567 52 A HA 0.199 4.519 4.320 -0.000 0.000 0.240 52 A C 0.387 178.033 177.584 0.103 0.000 1.053 52 A CA 0.309 52.339 52.037 -0.012 0.000 0.755 52 A CB -0.087 18.961 19.000 0.079 0.000 0.978 52 A HN 0.908 nan 8.150 nan 0.000 0.507 53 E N 3.030 123.345 120.200 0.191 0.000 1.986 53 E HA 0.369 4.719 4.350 -0.000 0.000 0.264 53 E C 0.653 177.355 176.600 0.170 0.000 1.023 53 E CA -0.292 56.283 56.400 0.293 0.000 0.834 53 E CB 0.201 30.092 29.700 0.319 0.000 1.111 53 E HN 0.808 nan 8.360 nan 0.000 0.417 54 G N 3.379 112.270 108.800 0.151 0.000 2.491 54 G HA2 0.063 4.022 3.960 -0.000 0.000 0.242 54 G HA3 0.063 4.022 3.960 -0.000 0.000 0.242 54 G C -0.313 174.647 174.900 0.099 0.000 1.266 54 G CA -0.199 44.971 45.100 0.117 0.000 0.844 54 G HN 0.587 nan 8.290 nan 0.000 0.571 55 D N -0.533 119.923 120.400 0.093 0.000 2.867 55 D HA 0.198 4.838 4.640 -0.000 0.000 0.308 55 D C 1.286 177.633 176.300 0.077 0.000 1.202 55 D CA -0.807 53.246 54.000 0.088 0.000 1.035 55 D CB 1.569 42.422 40.800 0.089 0.000 1.427 55 D HN 0.268 nan 8.370 nan 0.000 0.570 56 K N 0.220 120.662 120.400 0.069 0.000 2.089 56 K HA -0.192 4.127 4.320 -0.000 0.000 0.210 56 K C 1.506 178.146 176.600 0.067 0.000 1.048 56 K CA 1.807 58.134 56.287 0.065 0.000 0.926 56 K CB 0.079 32.606 32.500 0.044 0.000 0.714 56 K HN 0.323 nan 8.250 nan 0.000 0.448 57 E N 0.058 120.291 120.200 0.054 0.000 2.150 57 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 57 E C 1.563 178.190 176.600 0.044 0.000 0.985 57 E CA 1.076 57.503 56.400 0.045 0.000 0.814 57 E CB 0.026 29.747 29.700 0.034 0.000 0.752 57 E HN 0.449 nan 8.360 nan 0.000 0.466 58 D N 0.540 120.971 120.400 0.052 0.000 2.162 58 D HA -0.083 4.557 4.640 -0.000 0.000 0.203 58 D C 2.123 178.451 176.300 0.047 0.000 0.967 58 D CA 0.715 54.742 54.000 0.047 0.000 0.840 58 D CB 0.152 40.993 40.800 0.069 0.000 0.972 58 D HN 0.028 nan 8.370 nan 0.000 0.482 59 V N 1.778 121.732 119.914 0.066 0.000 2.427 59 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 59 V C 1.800 177.935 176.094 0.068 0.000 1.051 59 V CA 1.648 63.988 62.300 0.066 0.000 1.048 59 V CB -0.356 31.525 31.823 0.097 0.000 0.666 59 V HN -0.006 nan 8.190 nan 0.000 0.456 60 D N -0.047 120.423 120.400 0.117 0.000 2.144 60 D HA -0.138 4.501 4.640 -0.000 0.000 0.199 60 D C 2.290 178.631 176.300 0.069 0.000 0.984 60 D CA 1.150 55.252 54.000 0.169 0.000 0.834 60 D CB -0.145 40.740 40.800 0.141 0.000 0.955 60 D HN 0.404 nan 8.370 nan 0.000 0.465 61 K N 0.273 120.687 120.400 0.023 0.000 2.097 61 K HA 0.018 4.338 4.320 -0.000 0.000 0.205 61 K C 2.090 178.668 176.600 -0.037 0.000 1.050 61 K CA 0.992 57.267 56.287 -0.021 0.000 0.938 61 K CB -0.028 32.438 32.500 -0.058 0.000 0.718 61 K HN 0.032 nan 8.250 nan 0.000 0.442 62 A N 1.142 123.943 122.820 -0.030 0.000 1.858 62 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 62 A C 2.388 179.930 177.584 -0.071 0.000 1.190 62 A CA 1.436 53.447 52.037 -0.043 0.000 0.617 62 A CB -0.763 18.225 19.000 -0.020 0.000 0.827 62 A HN 0.057 nan 8.150 nan 0.000 0.443 63 V N 0.243 120.088 119.914 -0.114 0.000 2.332 63 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 63 V C 2.452 178.485 176.094 -0.102 0.000 1.055 63 V CA 2.417 64.602 62.300 -0.192 0.000 1.038 63 V CB -0.732 30.784 31.823 -0.511 0.000 0.651 63 V HN 0.544 nan 8.190 nan 0.000 0.450 64 K N 0.118 120.489 120.400 -0.048 0.000 2.097 64 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 64 K C 2.308 178.903 176.600 -0.008 0.000 1.049 64 K CA 1.442 57.726 56.287 -0.006 0.000 0.933 64 K CB -0.392 32.114 32.500 0.011 0.000 0.717 64 K HN 0.490 nan 8.250 nan 0.000 0.442 65 A N 1.441 124.244 122.820 -0.028 0.000 1.898 65 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 65 A C 2.366 179.941 177.584 -0.016 0.000 1.181 65 A CA 1.759 53.778 52.037 -0.031 0.000 0.620 65 A CB -0.678 18.286 19.000 -0.061 0.000 0.819 65 A HN 0.323 nan 8.150 nan 0.000 0.442 66 A N -0.079 122.724 122.820 -0.029 0.000 1.877 66 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 66 A C 2.184 179.804 177.584 0.060 0.000 1.186 66 A CA 2.190 54.220 52.037 -0.013 0.000 0.620 66 A CB -0.463 18.505 19.000 -0.054 0.000 0.822 66 A HN 0.466 nan 8.150 nan 0.000 0.443 67 R N 0.294 120.822 120.500 0.048 0.000 2.096 67 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 67 R C 2.081 178.474 176.300 0.154 0.000 1.127 67 R CA 2.005 58.173 56.100 0.113 0.000 0.968 67 R CB -0.895 29.446 30.300 0.069 0.000 0.861 67 R HN 0.393 nan 8.270 nan 0.000 0.440 68 A N 0.212 123.089 122.820 0.095 0.000 1.873 68 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 68 A C 2.345 179.994 177.584 0.109 0.000 1.186 68 A CA 1.654 53.741 52.037 0.084 0.000 0.616 68 A CB -1.050 17.977 19.000 0.046 0.000 0.823 68 A HN 0.475 nan 8.150 nan 0.000 0.442 69 A N -2.175 120.715 122.820 0.117 0.000 2.121 69 A HA 0.049 4.369 4.320 -0.000 0.000 0.218 69 A C 1.749 179.494 177.584 0.269 0.000 1.154 69 A CA 1.295 53.419 52.037 0.146 0.000 0.679 69 A CB -0.550 18.494 19.000 0.073 0.000 0.795 69 A HN 0.599 nan 8.150 nan 0.000 0.458 70 F N 0.150 120.175 119.950 0.126 0.000 2.727 70 F HA 0.203 4.730 4.527 -0.000 0.000 0.302 70 F C 0.728 176.602 175.800 0.124 0.000 1.097 70 F CA -0.230 57.872 58.000 0.169 0.000 1.330 70 F CB 0.158 39.243 39.000 0.142 0.000 1.084 70 F HN 0.086 nan 8.300 nan 0.000 0.578 71 Q N 1.630 121.467 119.800 0.063 0.000 2.361 71 Q HA 0.025 4.365 4.340 -0.000 0.000 0.276 71 Q C -0.192 175.751 176.000 -0.095 0.000 1.022 71 Q CA -0.102 55.696 55.803 -0.008 0.000 0.898 71 Q CB 0.777 29.539 28.738 0.039 0.000 1.246 71 Q HN 0.274 nan 8.270 nan 0.000 0.410 72 L N 1.619 122.780 121.223 -0.104 0.000 2.601 72 L HA 0.111 4.451 4.340 -0.000 0.000 0.277 72 L C 1.211 178.049 176.870 -0.054 0.000 1.219 72 L CA 2.144 56.923 54.840 -0.102 0.000 0.915 72 L CB -0.004 42.017 42.059 -0.063 0.000 1.160 72 L HN 0.919 nan 8.230 nan 0.000 0.494 73 G N 1.923 110.691 108.800 -0.054 0.000 2.194 73 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.236 73 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.236 73 G C 0.341 175.238 174.900 -0.004 0.000 0.987 73 G CA 0.296 45.382 45.100 -0.024 0.000 0.635 73 G HN 1.117 nan 8.290 nan 0.000 0.520 74 S N 0.601 116.303 115.700 0.003 0.000 2.589 74 S HA 0.547 5.017 4.470 -0.000 0.000 0.265 74 S C -0.631 174.015 174.600 0.076 0.000 1.342 74 S CA -0.170 58.060 58.200 0.050 0.000 1.005 74 S CB 1.791 65.040 63.200 0.082 0.000 0.909 74 S HN 0.011 nan 8.310 nan 0.000 0.555 75 P HA -0.087 nan 4.420 nan 0.000 0.215 75 P C 1.250 178.678 177.300 0.215 0.000 1.153 75 P CA 1.125 64.308 63.100 0.137 0.000 0.853 75 P CB -0.089 31.699 31.700 0.147 0.000 0.788 76 W N 0.176 121.506 121.300 0.049 0.000 2.388 76 W HA -0.123 4.537 4.660 -0.000 0.000 0.294 76 W C 1.627 178.172 176.519 0.044 0.000 1.212 76 W CA 0.688 58.079 57.345 0.077 0.000 1.271 76 W CB -0.048 29.485 29.460 0.122 0.000 1.126 76 W HN -0.150 nan 8.180 nan 0.000 0.535 77 R N 0.274 120.783 120.500 0.014 0.000 2.119 77 R HA -0.020 4.320 4.340 -0.000 0.000 0.222 77 R C 2.074 178.292 176.300 -0.136 0.000 1.088 77 R CA 0.879 56.884 56.100 -0.157 0.000 0.984 77 R CB -0.642 29.544 30.300 -0.191 0.000 0.884 77 R HN 0.304 nan 8.270 nan 0.000 0.447 78 R N -0.225 120.233 120.500 -0.070 0.000 2.161 78 R HA 0.166 4.506 4.340 -0.000 0.000 0.213 78 R C 1.139 177.401 176.300 -0.064 0.000 1.055 78 R CA -0.168 55.897 56.100 -0.057 0.000 0.996 78 R CB -0.031 30.253 30.300 -0.026 0.000 0.901 78 R HN 0.106 nan 8.270 nan 0.000 0.456 79 M N 2.276 121.837 119.600 -0.065 0.000 2.240 79 M HA -0.086 4.394 4.480 -0.000 0.000 0.346 79 M C -0.684 175.568 176.300 -0.080 0.000 1.236 79 M CA 0.549 55.818 55.300 -0.051 0.000 0.986 79 M CB 0.464 33.050 32.600 -0.023 0.000 1.786 79 M HN -0.041 nan 8.290 nan 0.000 0.457 80 D N 3.812 124.193 120.400 -0.032 0.000 2.443 80 D HA 0.097 4.737 4.640 -0.000 0.000 0.239 80 D C 0.793 177.078 176.300 -0.025 0.000 1.136 80 D CA 0.483 54.469 54.000 -0.024 0.000 0.879 80 D CB 1.083 41.882 40.800 -0.003 0.000 1.195 80 D HN 0.752 nan 8.370 nan 0.000 0.443 81 A N 2.323 125.120 122.820 -0.038 0.000 1.940 81 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 81 A C 2.107 179.688 177.584 -0.006 0.000 1.176 81 A CA 2.193 54.206 52.037 -0.040 0.000 0.631 81 A CB -0.607 18.386 19.000 -0.011 0.000 0.814 81 A HN 0.596 nan 8.150 nan 0.000 0.446 82 S N -1.221 114.490 115.700 0.018 0.000 2.419 82 S HA -0.240 4.230 4.470 -0.000 0.000 0.233 82 S C 1.820 176.452 174.600 0.053 0.000 1.016 82 S CA 1.598 59.817 58.200 0.031 0.000 0.974 82 S CB -0.651 62.568 63.200 0.032 0.000 0.786 82 S HN 0.732 nan 8.310 nan 0.000 0.492 83 H N 1.606 120.649 119.070 -0.046 0.000 2.470 83 H HA 0.264 4.820 4.556 -0.000 0.000 0.289 83 H C 2.232 177.530 175.328 -0.050 0.000 1.033 83 H CA 1.212 57.231 56.048 -0.048 0.000 1.331 83 H CB -0.071 29.658 29.762 -0.054 0.000 1.414 83 H HN 0.357 nan 8.280 nan 0.000 0.545 84 R N -0.763 119.677 120.500 -0.101 0.000 2.115 84 R HA -0.039 4.301 4.340 -0.000 0.000 0.230 84 R C 2.436 178.728 176.300 -0.012 0.000 1.111 84 R CA 0.980 57.030 56.100 -0.084 0.000 0.976 84 R CB -0.349 29.881 30.300 -0.117 0.000 0.870 84 R HN 0.393 nan 8.270 nan 0.000 0.445 85 G N 1.101 109.895 108.800 -0.010 0.000 2.408 85 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 85 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 85 G C 1.463 176.351 174.900 -0.020 0.000 1.150 85 G CA 0.121 45.233 45.100 0.021 0.000 0.776 85 G HN 0.103 nan 8.290 nan 0.000 0.542 86 R N 0.208 120.652 120.500 -0.093 0.000 2.081 86 R HA 0.085 4.425 4.340 -0.000 0.000 0.235 86 R C 2.630 178.827 176.300 -0.172 0.000 1.131 86 R CA 0.559 56.588 56.100 -0.118 0.000 0.960 86 R CB -1.072 29.148 30.300 -0.132 0.000 0.856 86 R HN 0.396 nan 8.270 nan 0.000 0.436 87 L N 0.380 121.409 121.223 -0.324 0.000 2.046 87 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 87 L C 2.505 179.334 176.870 -0.067 0.000 1.077 87 L CA 1.096 55.678 54.840 -0.430 0.000 0.747 87 L CB -0.483 41.000 42.059 -0.960 0.000 0.896 87 L HN 0.124 nan 8.230 nan 0.000 0.432 88 L N -0.397 120.908 121.223 0.135 0.000 2.017 88 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 88 L C 2.421 179.393 176.870 0.169 0.000 1.073 88 L CA 1.134 56.144 54.840 0.284 0.000 0.745 88 L CB -0.571 41.645 42.059 0.261 0.000 0.894 88 L HN 0.356 nan 8.230 nan 0.000 0.432 89 N N -0.164 118.592 118.700 0.092 0.000 2.223 89 N HA -0.204 4.536 4.740 -0.000 0.000 0.185 89 N C 1.954 177.502 175.510 0.064 0.000 1.016 89 N CA 0.977 54.068 53.050 0.069 0.000 0.863 89 N CB -0.165 38.343 38.487 0.035 0.000 0.983 89 N HN 0.169 nan 8.380 nan 0.000 0.429 90 R N 1.291 121.820 120.500 0.048 0.000 2.066 90 R HA -0.011 4.329 4.340 -0.000 0.000 0.232 90 R C 2.063 178.417 176.300 0.090 0.000 1.131 90 R CA 0.810 56.938 56.100 0.046 0.000 0.955 90 R CB -0.997 29.303 30.300 -0.000 0.000 0.851 90 R HN 0.162 nan 8.270 nan 0.000 0.432 91 L N 0.327 121.642 121.223 0.153 0.000 2.083 91 L HA 0.021 4.361 4.340 -0.000 0.000 0.209 91 L C 2.052 178.993 176.870 0.118 0.000 1.083 91 L CA 2.228 57.171 54.840 0.171 0.000 0.752 91 L CB -0.992 41.221 42.059 0.257 0.000 0.899 91 L HN 0.271 nan 8.230 nan 0.000 0.433 92 A N -0.872 122.018 122.820 0.116 0.000 1.902 92 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 92 A C 1.996 179.628 177.584 0.080 0.000 1.181 92 A CA 1.770 53.865 52.037 0.097 0.000 0.623 92 A CB -0.778 18.280 19.000 0.097 0.000 0.818 92 A HN 0.528 nan 8.150 nan 0.000 0.443 93 D N 0.079 120.523 120.400 0.074 0.000 2.144 93 D HA -0.102 4.538 4.640 -0.000 0.000 0.199 93 D C 1.950 178.292 176.300 0.070 0.000 0.984 93 D CA 0.944 54.982 54.000 0.064 0.000 0.834 93 D CB -0.290 40.542 40.800 0.053 0.000 0.955 93 D HN 0.455 nan 8.370 nan 0.000 0.465 94 L N 0.421 121.689 121.223 0.075 0.000 2.056 94 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 94 L C 2.540 179.474 176.870 0.107 0.000 1.078 94 L CA 0.642 55.529 54.840 0.079 0.000 0.749 94 L CB -0.235 41.864 42.059 0.066 0.000 0.901 94 L HN 0.001 nan 8.230 nan 0.000 0.433 95 I N -0.168 120.465 120.570 0.106 0.000 2.226 95 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 95 I C 2.564 178.746 176.117 0.108 0.000 1.100 95 I CA 1.377 62.752 61.300 0.126 0.000 1.374 95 I CB -0.238 37.823 38.000 0.102 0.000 1.057 95 I HN 0.343 nan 8.210 nan 0.000 0.413 96 E N 1.253 121.501 120.200 0.079 0.000 2.153 96 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 96 E C 2.377 179.029 176.600 0.086 0.000 0.988 96 E CA 0.913 57.348 56.400 0.060 0.000 0.811 96 E CB 0.001 29.730 29.700 0.047 0.000 0.746 96 E HN 0.272 nan 8.360 nan 0.000 0.466 97 R N 0.336 120.895 120.500 0.097 0.000 2.081 97 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 97 R C 0.402 176.783 176.300 0.135 0.000 1.131 97 R CA 1.782 57.943 56.100 0.103 0.000 0.960 97 R CB 0.045 30.397 30.300 0.088 0.000 0.856 97 R HN 0.133 nan 8.270 nan 0.000 0.436 98 D N -0.070 120.433 120.400 0.173 0.000 2.460 98 D HA 0.019 4.659 4.640 -0.000 0.000 0.229 98 D C 1.053 177.504 176.300 0.252 0.000 1.170 98 D CA -0.023 54.117 54.000 0.232 0.000 0.827 98 D CB 0.252 41.254 40.800 0.337 0.000 0.973 98 D HN 0.254 nan 8.370 nan 0.000 0.496 99 R N 0.519 121.132 120.500 0.188 0.000 2.083 99 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 99 R C 1.429 177.885 176.300 0.260 0.000 1.137 99 R CA 1.687 57.867 56.100 0.134 0.000 0.951 99 R CB -0.089 30.206 30.300 -0.008 0.000 0.851 99 R HN 0.019 nan 8.270 nan 0.000 0.434 100 T N 0.142 114.933 114.554 0.393 0.000 2.684 100 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 100 T C 1.468 176.410 174.700 0.403 0.000 1.036 100 T CA 1.726 64.120 62.100 0.490 0.000 1.148 100 T CB -0.675 68.410 68.868 0.361 0.000 0.863 100 T HN 0.421 nan 8.240 nan 0.000 0.436 101 Y N 1.958 122.365 120.300 0.178 0.000 2.089 101 Y HA -0.079 4.471 4.550 -0.000 0.000 0.282 101 Y C 2.157 178.108 175.900 0.085 0.000 1.139 101 Y CA 1.057 59.211 58.100 0.090 0.000 1.123 101 Y CB -0.732 37.722 38.460 -0.011 0.000 0.980 101 Y HN 0.080 nan 8.280 nan 0.000 0.493 102 L N -0.006 121.210 121.223 -0.012 0.000 2.043 102 L HA -0.316 4.024 4.340 -0.000 0.000 0.212 102 L C 2.778 179.630 176.870 -0.030 0.000 1.075 102 L CA 1.381 56.162 54.840 -0.099 0.000 0.752 102 L CB -1.000 41.117 42.059 0.097 0.000 0.891 102 L HN 0.457 nan 8.230 nan 0.000 0.432 103 A N -0.283 122.608 122.820 0.119 0.000 1.877 103 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 103 A C 2.508 180.263 177.584 0.285 0.000 1.186 103 A CA 1.817 53.964 52.037 0.184 0.000 0.620 103 A CB -0.737 18.422 19.000 0.265 0.000 0.822 103 A HN 0.434 nan 8.150 nan 0.000 0.443 104 A N -0.663 122.385 122.820 0.380 0.000 1.902 104 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 104 A C 2.136 179.819 177.584 0.165 0.000 1.181 104 A CA 1.735 54.002 52.037 0.385 0.000 0.623 104 A CB -0.630 18.498 19.000 0.213 0.000 0.818 104 A HN 0.672 nan 8.150 nan 0.000 0.443 105 L N -0.185 120.968 121.223 -0.117 0.000 2.083 105 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 105 L C 2.226 179.052 176.870 -0.074 0.000 1.083 105 L CA 2.605 57.332 54.840 -0.189 0.000 0.752 105 L CB -0.524 41.248 42.059 -0.479 0.000 0.899 105 L HN 0.511 nan 8.230 nan 0.000 0.433 106 E N -1.028 119.142 120.200 -0.049 0.000 2.051 106 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 106 E C 2.032 178.601 176.600 -0.053 0.000 0.991 106 E CA 2.023 58.403 56.400 -0.034 0.000 0.799 106 E CB -0.372 29.317 29.700 -0.018 0.000 0.748 106 E HN 0.469 nan 8.360 nan 0.000 0.449 107 T N 0.796 115.311 114.554 -0.064 0.000 2.746 107 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 107 T C 1.740 176.329 174.700 -0.185 0.000 1.039 107 T CA 1.250 63.228 62.100 -0.203 0.000 1.142 107 T CB -0.396 68.204 68.868 -0.448 0.000 0.866 107 T HN 0.138 nan 8.240 nan 0.000 0.444 108 L N 1.151 122.357 121.223 -0.027 0.000 2.042 108 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 108 L C 2.044 178.915 176.870 0.002 0.000 1.076 108 L CA 1.885 56.767 54.840 0.070 0.000 0.749 108 L CB -0.382 41.762 42.059 0.141 0.000 0.893 108 L HN 0.091 nan 8.230 nan 0.000 0.432 109 D N -1.605 118.786 120.400 -0.016 0.000 2.240 109 D HA -0.142 4.498 4.640 -0.000 0.000 0.206 109 D C 1.900 178.186 176.300 -0.023 0.000 0.963 109 D CA 0.792 54.785 54.000 -0.012 0.000 0.863 109 D CB 0.020 40.820 40.800 -0.001 0.000 0.973 109 D HN 0.432 nan 8.370 nan 0.000 0.501 110 N N -0.706 117.967 118.700 -0.045 0.000 2.436 110 N HA -0.023 4.717 4.740 -0.000 0.000 0.178 110 N C 1.359 176.808 175.510 -0.102 0.000 1.026 110 N CA 1.642 54.660 53.050 -0.054 0.000 0.880 110 N CB 0.794 39.245 38.487 -0.061 0.000 1.061 110 N HN 0.256 nan 8.380 nan 0.000 0.434 111 G N 1.407 110.125 108.800 -0.137 0.000 2.218 111 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.216 111 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.216 111 G C -0.097 174.690 174.900 -0.187 0.000 0.994 111 G CA 0.335 45.330 45.100 -0.176 0.000 0.637 111 G HN 0.673 nan 8.290 nan 0.000 0.505 112 K N 1.127 121.416 120.400 -0.186 0.000 2.355 112 K HA 0.469 4.789 4.320 -0.000 0.000 0.270 112 K C -2.642 173.863 176.600 -0.157 0.000 1.003 112 K CA -1.242 54.934 56.287 -0.184 0.000 0.957 112 K CB 0.468 32.833 32.500 -0.226 0.000 0.939 112 K HN 0.079 nan 8.250 nan 0.000 0.482 113 P HA -0.129 nan 4.420 nan 0.000 0.264 113 P C -0.253 177.026 177.300 -0.036 0.000 1.183 113 P CA -0.006 63.060 63.100 -0.056 0.000 0.763 113 P CB 0.135 31.840 31.700 0.008 0.000 0.807 114 Y N 4.669 124.870 120.300 -0.165 0.000 2.151 114 Y HA -0.269 4.281 4.550 -0.000 0.000 0.284 114 Y C 1.850 177.785 175.900 0.057 0.000 1.166 114 Y CA 1.814 59.869 58.100 -0.075 0.000 1.163 114 Y CB -0.960 37.498 38.460 -0.002 0.000 0.974 114 Y HN 0.083 nan 8.280 nan 0.000 0.511 115 V N 0.509 120.389 119.914 -0.057 0.000 2.332 115 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 115 V C 2.413 178.481 176.094 -0.042 0.000 1.055 115 V CA 1.945 64.188 62.300 -0.096 0.000 1.038 115 V CB -0.703 31.144 31.823 0.039 0.000 0.651 115 V HN 0.446 nan 8.190 nan 0.000 0.450 116 I N -0.375 120.203 120.570 0.014 0.000 2.315 116 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 116 I C 2.646 178.791 176.117 0.047 0.000 1.117 116 I CA 1.541 62.890 61.300 0.082 0.000 1.404 116 I CB -1.346 36.728 38.000 0.124 0.000 1.071 116 I HN 0.296 nan 8.210 nan 0.000 0.419 117 S N -0.215 115.470 115.700 -0.025 0.000 2.383 117 S HA -0.230 4.240 4.470 -0.000 0.000 0.229 117 S C 2.078 176.653 174.600 -0.042 0.000 1.030 117 S CA 1.358 59.541 58.200 -0.030 0.000 1.002 117 S CB -0.269 62.908 63.200 -0.037 0.000 0.829 117 S HN 0.475 nan 8.310 nan 0.000 0.467 118 Y N 1.240 121.380 120.300 -0.267 0.000 2.176 118 Y HA 0.162 4.712 4.550 -0.000 0.000 0.291 118 Y C 1.861 177.700 175.900 -0.101 0.000 1.122 118 Y CA 1.373 59.329 58.100 -0.241 0.000 1.128 118 Y CB -0.149 38.020 38.460 -0.485 0.000 1.005 118 Y HN 0.149 nan 8.280 nan 0.000 0.509 119 L N -1.123 120.176 121.223 0.128 0.000 2.313 119 L HA -0.074 4.266 4.340 -0.000 0.000 0.214 119 L C 1.568 178.469 176.870 0.052 0.000 1.119 119 L CA 0.368 55.267 54.840 0.099 0.000 0.809 119 L CB -0.198 41.943 42.059 0.136 0.000 0.933 119 L HN 0.187 nan 8.230 nan 0.000 0.449 120 V N -1.192 118.765 119.914 0.071 0.000 2.784 120 V HA -0.033 4.087 4.120 -0.000 0.000 0.231 120 V C 1.632 177.775 176.094 0.081 0.000 1.128 120 V CA 0.752 63.117 62.300 0.109 0.000 1.178 120 V CB -0.234 31.724 31.823 0.226 0.000 0.943 120 V HN 0.141 nan 8.190 nan 0.000 0.500 121 D N 0.805 121.261 120.400 0.094 0.000 2.137 121 D HA -0.217 4.423 4.640 -0.000 0.000 0.189 121 D C 1.943 178.246 176.300 0.004 0.000 0.998 121 D CA 1.735 55.773 54.000 0.063 0.000 0.839 121 D CB -0.312 40.531 40.800 0.071 0.000 0.962 121 D HN 0.194 nan 8.370 nan 0.000 0.446 122 L N 0.127 121.326 121.223 -0.040 0.000 2.141 122 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 122 L C 1.813 178.644 176.870 -0.065 0.000 1.094 122 L CA 1.267 56.065 54.840 -0.070 0.000 0.763 122 L CB -0.309 41.662 42.059 -0.148 0.000 0.908 122 L HN 0.023 nan 8.230 nan 0.000 0.437 123 D N -0.634 119.723 120.400 -0.071 0.000 2.117 123 D HA -0.219 4.421 4.640 -0.000 0.000 0.197 123 D C 2.222 178.534 176.300 0.020 0.000 0.987 123 D CA 1.434 55.412 54.000 -0.036 0.000 0.829 123 D CB 0.067 40.855 40.800 -0.020 0.000 0.961 123 D HN 0.212 nan 8.370 nan 0.000 0.460 124 M N -0.445 119.178 119.600 0.038 0.000 2.319 124 M HA -0.071 4.409 4.480 -0.000 0.000 0.265 124 M C 2.117 178.484 176.300 0.111 0.000 1.068 124 M CA 0.462 55.811 55.300 0.082 0.000 1.118 124 M CB 0.091 32.742 32.600 0.086 0.000 1.395 124 M HN 0.004 nan 8.290 nan 0.000 0.435 125 V N 1.156 121.111 119.914 0.067 0.000 2.295 125 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 125 V C 2.359 178.518 176.094 0.108 0.000 1.049 125 V CA 1.629 63.978 62.300 0.083 0.000 1.024 125 V CB -0.640 31.208 31.823 0.041 0.000 0.648 125 V HN 0.447 nan 8.190 nan 0.000 0.447 126 L N -0.464 120.804 121.223 0.075 0.000 2.017 126 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 126 L C 2.606 179.540 176.870 0.105 0.000 1.073 126 L CA 1.813 56.700 54.840 0.079 0.000 0.745 126 L CB -0.709 41.376 42.059 0.042 0.000 0.894 126 L HN 0.293 nan 8.230 nan 0.000 0.432 127 K N -0.833 119.627 120.400 0.101 0.000 2.147 127 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 127 K C 2.272 178.970 176.600 0.164 0.000 1.049 127 K CA 1.445 57.799 56.287 0.111 0.000 0.936 127 K CB -0.403 32.145 32.500 0.080 0.000 0.722 127 K HN 0.394 nan 8.250 nan 0.000 0.446 128 C N 1.190 120.613 119.300 0.206 0.000 2.462 128 C HA -0.027 4.433 4.460 -0.000 0.000 0.278 128 C C 2.460 177.681 174.990 0.385 0.000 1.253 128 C CA 0.493 59.695 59.018 0.307 0.000 1.713 128 C CB -0.879 27.106 27.740 0.409 0.000 2.049 128 C HN 0.390 nan 8.230 nan 0.000 0.477 129 L N 0.294 121.693 121.223 0.293 0.000 2.046 129 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 129 L C 2.976 179.990 176.870 0.239 0.000 1.077 129 L CA 1.642 56.645 54.840 0.270 0.000 0.747 129 L CB -0.669 41.504 42.059 0.189 0.000 0.896 129 L HN 0.341 nan 8.230 nan 0.000 0.432 130 R N -1.439 119.171 120.500 0.184 0.000 2.115 130 R HA -0.172 4.168 4.340 -0.000 0.000 0.226 130 R C 2.233 178.596 176.300 0.104 0.000 1.100 130 R CA 1.184 57.360 56.100 0.126 0.000 0.980 130 R CB -0.346 30.010 30.300 0.093 0.000 0.875 130 R HN 0.274 nan 8.270 nan 0.000 0.445 131 Y N 0.186 120.489 120.300 0.005 0.000 2.114 131 Y HA -0.259 4.291 4.550 -0.000 0.000 0.284 131 Y C 1.616 177.445 175.900 -0.119 0.000 1.143 131 Y CA 1.484 59.516 58.100 -0.114 0.000 1.135 131 Y CB -0.454 37.891 38.460 -0.192 0.000 0.980 131 Y HN -0.016 nan 8.280 nan 0.000 0.499 132 Y N -0.203 120.202 120.300 0.174 0.000 2.421 132 Y HA -0.128 4.422 4.550 -0.000 0.000 0.292 132 Y C 2.560 178.507 175.900 0.077 0.000 1.136 132 Y CA 0.706 58.892 58.100 0.144 0.000 1.255 132 Y CB -0.486 38.106 38.460 0.220 0.000 0.991 132 Y HN 0.291 nan 8.280 nan 0.000 0.552 133 A N 0.021 122.941 122.820 0.167 0.000 1.933 133 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 133 A C 2.503 180.094 177.584 0.012 0.000 1.175 133 A CA 1.692 53.793 52.037 0.107 0.000 0.628 133 A CB -1.335 17.714 19.000 0.082 0.000 0.814 133 A HN 0.458 nan 8.150 nan 0.000 0.444 134 G N -2.428 106.301 108.800 -0.118 0.000 2.484 134 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 134 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 134 G C 1.315 176.043 174.900 -0.287 0.000 1.130 134 G CA 0.610 45.560 45.100 -0.251 0.000 0.784 134 G HN 0.681 nan 8.290 nan 0.000 0.543 135 W N 0.499 121.687 121.300 -0.186 0.000 2.770 135 W HA 0.311 4.971 4.660 -0.000 0.000 0.256 135 W C 2.716 179.212 176.519 -0.039 0.000 1.291 135 W CA 0.145 57.408 57.345 -0.136 0.000 1.396 135 W CB 0.354 29.738 29.460 -0.126 0.000 1.114 135 W HN 0.239 nan 8.180 nan 0.000 0.637 136 A N 1.120 124.075 122.820 0.224 0.000 1.971 136 A HA -0.289 4.031 4.320 -0.000 0.000 0.222 136 A C 1.260 178.912 177.584 0.112 0.000 1.182 136 A CA 2.426 54.555 52.037 0.154 0.000 0.649 136 A CB -0.800 18.258 19.000 0.096 0.000 0.818 136 A HN 0.368 nan 8.150 nan 0.000 0.458 137 D N -2.459 117.987 120.400 0.077 0.000 2.670 137 D HA 0.235 4.875 4.640 -0.000 0.000 0.255 137 D C 0.405 176.700 176.300 -0.008 0.000 1.286 137 D CA -0.086 53.935 54.000 0.036 0.000 0.830 137 D CB 0.014 40.826 40.800 0.019 0.000 1.065 137 D HN 0.454 nan 8.370 nan 0.000 0.486 138 K N -0.536 119.886 120.400 0.037 0.000 2.520 138 K HA 0.061 4.381 4.320 -0.000 0.000 0.206 138 K C -0.572 175.982 176.600 -0.077 0.000 1.122 138 K CA -0.514 55.705 56.287 -0.113 0.000 1.045 138 K CB 0.880 33.369 32.500 -0.019 0.000 0.932 138 K HN -0.028 nan 8.250 nan 0.000 0.571 139 Y N 2.788 123.031 120.300 -0.094 0.000 2.691 139 Y HA 0.186 4.736 4.550 -0.000 0.000 0.338 139 Y C -0.430 175.372 175.900 -0.164 0.000 1.148 139 Y CA -1.479 56.574 58.100 -0.078 0.000 1.430 139 Y CB -0.822 37.629 38.460 -0.014 0.000 1.303 139 Y HN 0.087 nan 8.280 nan 0.000 0.499 140 H N 1.258 120.272 119.070 -0.093 0.000 2.607 140 H HA 0.481 5.037 4.556 -0.000 0.000 0.367 140 H C 0.837 175.770 175.328 -0.659 0.000 1.181 140 H CA 0.286 56.176 56.048 -0.263 0.000 1.402 140 H CB 0.853 30.547 29.762 -0.114 0.000 1.474 140 H HN 0.724 nan 8.280 nan 0.000 0.596 141 G N 0.288 108.830 108.800 -0.431 0.000 2.568 141 G HA2 0.498 4.458 3.960 -0.000 0.000 0.293 141 G HA3 0.498 4.458 3.960 -0.000 0.000 0.293 141 G C -0.827 173.949 174.900 -0.207 0.000 1.347 141 G CA -0.918 43.839 45.100 -0.571 0.000 1.039 141 G HN 0.536 nan 8.290 nan 0.000 0.523 142 K N -0.839 119.505 120.400 -0.093 0.000 2.395 142 K HA 0.578 4.898 4.320 -0.000 0.000 0.247 142 K C -0.908 175.713 176.600 0.036 0.000 0.973 142 K CA -0.723 55.551 56.287 -0.021 0.000 0.828 142 K CB 2.107 34.604 32.500 -0.005 0.000 1.272 142 K HN 0.591 nan 8.250 nan 0.000 0.439 143 T N -0.923 113.663 114.554 0.055 0.000 2.772 143 T HA 0.554 4.904 4.350 -0.000 0.000 0.288 143 T C -0.178 174.572 174.700 0.083 0.000 0.994 143 T CA -0.725 61.441 62.100 0.110 0.000 0.951 143 T CB -0.123 68.870 68.868 0.208 0.000 0.933 143 T HN 0.360 nan 8.240 nan 0.000 0.447 144 I N 5.011 125.613 120.570 0.053 0.000 2.336 144 I HA 0.349 4.518 4.170 -0.000 0.000 0.292 144 I C -2.095 174.063 176.117 0.069 0.000 0.991 144 I CA -2.757 58.568 61.300 0.041 0.000 1.227 144 I CB 1.952 39.952 38.000 0.000 0.000 1.366 144 I HN 0.440 nan 8.210 nan 0.000 0.466 145 P HA 0.211 nan 4.420 nan 0.000 0.226 145 P C 0.012 177.353 177.300 0.070 0.000 1.783 145 P CA -0.054 63.095 63.100 0.081 0.000 0.980 145 P CB -0.187 31.550 31.700 0.062 0.000 1.967 146 I N 0.454 121.069 120.570 0.074 0.000 2.938 146 I HA 0.052 4.222 4.170 -0.000 0.000 0.285 146 I C 0.333 176.512 176.117 0.103 0.000 1.182 146 I CA -0.158 61.177 61.300 0.057 0.000 1.388 146 I CB 0.734 38.745 38.000 0.019 0.000 1.390 146 I HN 0.033 nan 8.210 nan 0.000 0.600 147 D N 4.457 124.907 120.400 0.083 0.000 2.368 147 D HA 0.424 5.064 4.640 -0.000 0.000 0.240 147 D C 0.347 176.790 176.300 0.238 0.000 1.169 147 D CA 1.155 55.224 54.000 0.115 0.000 0.906 147 D CB 0.966 41.811 40.800 0.074 0.000 1.187 147 D HN 0.945 nan 8.370 nan 0.000 0.435 148 G N 1.379 110.312 108.800 0.222 0.000 2.796 148 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.571 148 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.571 148 G C -0.786 174.192 174.900 0.130 0.000 1.370 148 G CA -0.736 44.528 45.100 0.273 0.000 0.856 148 G HN 0.502 nan 8.290 nan 0.000 0.538 149 D N 0.972 121.225 120.400 -0.246 0.000 2.558 149 D HA 0.507 5.147 4.640 -0.000 0.000 0.221 149 D C -0.129 175.749 176.300 -0.704 0.000 1.143 149 D CA 0.932 54.711 54.000 -0.368 0.000 1.010 149 D CB -0.420 40.175 40.800 -0.342 0.000 1.068 149 D HN 0.278 nan 8.370 nan 0.000 0.511 150 F N 0.447 120.442 119.950 0.075 0.000 2.626 150 F HA 0.410 4.937 4.527 -0.000 0.000 0.311 150 F C -0.508 175.402 175.800 0.184 0.000 1.088 150 F CA -1.423 56.637 58.000 0.100 0.000 0.949 150 F CB 1.633 40.661 39.000 0.047 0.000 1.322 150 F HN -0.128 nan 8.300 nan 0.000 0.461 151 F N 1.951 122.043 119.950 0.237 0.000 2.445 151 F HA 0.671 5.198 4.527 -0.000 0.000 0.348 151 F C -0.671 175.243 175.800 0.189 0.000 1.125 151 F CA -0.934 57.175 58.000 0.182 0.000 0.983 151 F CB 1.164 40.260 39.000 0.160 0.000 1.198 151 F HN 0.274 nan 8.300 nan 0.000 0.436 152 S N 6.370 121.944 115.700 -0.209 0.000 2.482 152 S HA 0.817 5.287 4.470 -0.000 0.000 0.303 152 S C -1.369 173.020 174.600 -0.352 0.000 1.091 152 S CA -0.268 57.729 58.200 -0.337 0.000 1.057 152 S CB 0.736 63.840 63.200 -0.161 0.000 1.031 152 S HN 0.681 nan 8.310 nan 0.000 0.485 153 Y N -0.038 119.999 120.300 -0.438 0.000 2.670 153 Y HA 0.791 5.341 4.550 -0.000 0.000 0.334 153 Y C -0.586 175.208 175.900 -0.177 0.000 1.185 153 Y CA -1.082 56.833 58.100 -0.308 0.000 1.053 153 Y CB 0.848 39.079 38.460 -0.382 0.000 1.298 153 Y HN 0.553 nan 8.280 nan 0.000 0.459 154 T N -0.464 114.157 114.554 0.110 0.000 2.893 154 T HA 0.755 5.105 4.350 -0.000 0.000 0.291 154 T C -0.991 173.786 174.700 0.127 0.000 1.028 154 T CA -1.074 61.061 62.100 0.057 0.000 0.995 154 T CB 2.102 71.000 68.868 0.050 0.000 1.051 154 T HN 0.829 nan 8.240 nan 0.000 0.470 155 R N 0.696 121.274 120.500 0.130 0.000 2.599 155 R HA 0.374 4.714 4.340 -0.000 0.000 0.295 155 R C -0.635 175.790 176.300 0.209 0.000 0.963 155 R CA -0.756 55.420 56.100 0.127 0.000 0.883 155 R CB 1.437 31.818 30.300 0.136 0.000 1.171 155 R HN 0.741 nan 8.270 nan 0.000 0.450 156 H N 2.134 121.196 119.070 -0.013 0.000 2.741 156 H HA 0.150 4.706 4.556 -0.000 0.000 0.282 156 H C -0.389 174.972 175.328 0.056 0.000 1.122 156 H CA -0.397 55.642 56.048 -0.015 0.000 1.293 156 H CB 1.112 30.793 29.762 -0.135 0.000 1.415 156 H HN 0.359 nan 8.280 nan 0.000 0.472 157 E N 4.239 124.546 120.200 0.179 0.000 2.250 157 E HA 0.236 4.586 4.350 -0.000 0.000 0.269 157 E C -2.435 174.283 176.600 0.197 0.000 1.018 157 E CA -2.262 54.239 56.400 0.167 0.000 0.873 157 E CB 1.212 30.998 29.700 0.143 0.000 1.134 157 E HN 0.383 nan 8.360 nan 0.000 0.403 158 P HA -0.064 nan 4.420 nan 0.000 0.272 158 P C 0.511 177.945 177.300 0.225 0.000 1.223 158 P CA -0.010 63.263 63.100 0.287 0.000 0.784 158 P CB 0.706 32.687 31.700 0.468 0.000 0.923 159 V N 1.604 121.592 119.914 0.123 0.000 2.548 159 V HA 0.070 4.190 4.120 -0.000 0.000 0.249 159 V C 1.140 177.178 176.094 -0.094 0.000 1.055 159 V CA 2.684 65.005 62.300 0.035 0.000 1.065 159 V CB -1.029 30.803 31.823 0.015 0.000 0.681 159 V HN 0.987 nan 8.190 nan 0.000 0.462 160 G N -1.006 107.591 108.800 -0.339 0.000 2.254 160 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.193 160 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.193 160 G C -0.496 174.003 174.900 -0.668 0.000 1.233 160 G CA -0.202 44.337 45.100 -0.934 0.000 1.290 160 G HN 0.407 nan 8.290 nan 0.000 0.517 161 V N 1.172 120.839 119.914 -0.412 0.000 2.405 161 V HA 0.409 4.529 4.120 -0.000 0.000 0.264 161 V C 0.379 176.403 176.094 -0.116 0.000 1.048 161 V CA -0.209 61.956 62.300 -0.224 0.000 0.966 161 V CB 0.401 32.127 31.823 -0.161 0.000 1.015 161 V HN 0.799 nan 8.190 nan 0.000 0.477 162 C N 5.114 124.379 119.300 -0.058 0.000 2.255 162 C HA 0.637 5.097 4.460 -0.000 0.000 0.326 162 C C 1.122 176.128 174.990 0.027 0.000 1.258 162 C CA -0.932 58.103 59.018 0.028 0.000 1.676 162 C CB 0.052 27.882 27.740 0.150 0.000 2.314 162 C HN 1.001 nan 8.230 nan 0.000 0.509 163 G N 3.284 112.102 108.800 0.029 0.000 2.339 163 G HA2 0.484 4.444 3.960 -0.000 0.000 0.287 163 G HA3 0.484 4.444 3.960 -0.000 0.000 0.287 163 G C -0.679 174.268 174.900 0.079 0.000 1.163 163 G CA -0.115 45.008 45.100 0.038 0.000 0.872 163 G HN 0.816 nan 8.290 nan 0.000 0.464 164 Q N 1.842 121.688 119.800 0.078 0.000 2.320 164 Q HA 0.367 4.707 4.340 -0.000 0.000 0.268 164 Q C -0.676 175.382 176.000 0.096 0.000 1.023 164 Q CA -0.385 55.475 55.803 0.096 0.000 0.744 164 Q CB 2.450 31.236 28.738 0.080 0.000 1.246 164 Q HN 0.551 nan 8.270 nan 0.000 0.462 165 I N 4.835 125.487 120.570 0.136 0.000 2.330 165 I HA 0.416 4.586 4.170 -0.000 0.000 0.289 165 I C -0.039 176.107 176.117 0.048 0.000 1.001 165 I CA -0.765 60.632 61.300 0.161 0.000 1.193 165 I CB 0.562 38.774 38.000 0.352 0.000 1.345 165 I HN 0.517 nan 8.210 nan 0.000 0.461 166 I N 5.564 126.143 120.570 0.015 0.000 2.693 166 I HA 0.741 4.911 4.170 -0.000 0.000 0.303 166 I C -2.551 173.521 176.117 -0.074 0.000 1.025 166 I CA -2.217 59.042 61.300 -0.069 0.000 1.086 166 I CB 1.849 39.825 38.000 -0.040 0.000 1.268 166 I HN 0.236 nan 8.210 nan 0.000 0.440 167 P HA 0.114 nan 4.420 nan 0.000 0.297 167 P C -0.275 176.926 177.300 -0.164 0.000 1.303 167 P CA -0.035 62.907 63.100 -0.264 0.000 0.753 167 P CB 0.528 31.943 31.700 -0.474 0.000 1.281 168 W N -0.205 121.094 121.300 -0.002 0.000 2.975 168 W HA 0.081 4.741 4.660 -0.000 0.000 0.316 168 W C 1.018 177.488 176.519 -0.082 0.000 1.131 168 W CA 0.105 57.437 57.345 -0.023 0.000 1.624 168 W CB -1.533 27.921 29.460 -0.011 0.000 1.038 168 W HN 0.195 nan 8.180 nan 0.000 0.571 169 N N 2.169 120.614 118.700 -0.425 0.000 2.223 169 N HA -0.191 4.549 4.740 -0.000 0.000 0.185 169 N C -0.123 174.945 175.510 -0.738 0.000 1.016 169 N CA 0.966 53.736 53.050 -0.468 0.000 0.863 169 N CB -1.080 37.062 38.487 -0.575 0.000 0.983 169 N HN 0.115 nan 8.380 nan 0.000 0.429 170 F N -0.322 119.502 119.950 -0.211 0.000 2.794 170 F HA 0.410 4.937 4.527 -0.000 0.000 0.353 170 F C -1.835 173.845 175.800 -0.202 0.000 1.371 170 F CA -2.020 55.840 58.000 -0.233 0.000 1.173 170 F CB 2.124 40.901 39.000 -0.373 0.000 1.693 170 F HN -0.189 nan 8.300 nan 0.000 0.606 171 P HA -0.231 nan 4.420 nan 0.000 0.213 171 P C 1.921 179.213 177.300 -0.012 0.000 1.176 171 P CA 1.754 64.858 63.100 0.007 0.000 0.919 171 P CB 0.428 32.145 31.700 0.027 0.000 0.791 172 L N -2.021 119.197 121.223 -0.009 0.000 2.005 172 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 172 L C 2.477 179.303 176.870 -0.074 0.000 1.072 172 L CA 1.026 55.856 54.840 -0.016 0.000 0.744 172 L CB -1.030 41.033 42.059 0.006 0.000 0.895 172 L HN -0.028 nan 8.230 nan 0.000 0.433 173 L N -0.783 120.355 121.223 -0.142 0.000 2.046 173 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 173 L C 2.487 179.018 176.870 -0.564 0.000 1.077 173 L CA 1.795 56.413 54.840 -0.370 0.000 0.747 173 L CB -0.404 41.331 42.059 -0.540 0.000 0.896 173 L HN 0.192 nan 8.230 nan 0.000 0.432 174 M N -1.093 118.260 119.600 -0.411 0.000 2.159 174 M HA -0.226 4.254 4.480 -0.000 0.000 0.263 174 M C 2.253 178.495 176.300 -0.098 0.000 1.063 174 M CA 1.577 56.697 55.300 -0.300 0.000 1.110 174 M CB -1.034 31.459 32.600 -0.179 0.000 1.374 174 M HN 0.506 nan 8.290 nan 0.000 0.411 175 Q N -0.083 119.673 119.800 -0.073 0.000 2.020 175 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 175 Q C 2.034 178.037 176.000 0.005 0.000 0.982 175 Q CA 2.028 57.816 55.803 -0.025 0.000 0.838 175 Q CB -0.028 28.696 28.738 -0.024 0.000 0.899 175 Q HN 0.473 nan 8.270 nan 0.000 0.423 176 A N 0.186 123.017 122.820 0.018 0.000 1.883 176 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 176 A C 1.583 179.310 177.584 0.239 0.000 1.186 176 A CA 1.418 53.519 52.037 0.107 0.000 0.624 176 A CB -1.245 17.832 19.000 0.128 0.000 0.822 176 A HN 0.649 nan 8.150 nan 0.000 0.444 177 W N 0.228 121.531 121.300 0.005 0.000 2.387 177 W HA -0.043 4.617 4.660 -0.000 0.000 0.272 177 W C 2.014 178.505 176.519 -0.047 0.000 1.224 177 W CA 1.276 58.631 57.345 0.017 0.000 1.210 177 W CB -0.189 29.280 29.460 0.015 0.000 1.125 177 W HN 0.262 nan 8.180 nan 0.000 0.572 178 K N -0.541 119.954 120.400 0.159 0.000 2.168 178 K HA 0.128 4.448 4.320 -0.000 0.000 0.201 178 K C 2.060 178.573 176.600 -0.144 0.000 1.049 178 K CA 0.533 56.839 56.287 0.031 0.000 0.974 178 K CB -0.846 31.690 32.500 0.061 0.000 0.792 178 K HN 0.199 nan 8.250 nan 0.000 0.463 179 L N 0.458 121.619 121.223 -0.103 0.000 2.093 179 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 179 L C 2.424 179.185 176.870 -0.181 0.000 1.085 179 L CA 1.293 56.040 54.840 -0.155 0.000 0.755 179 L CB -1.027 40.956 42.059 -0.126 0.000 0.904 179 L HN 0.247 nan 8.230 nan 0.000 0.435 180 G N 1.410 110.124 108.800 -0.144 0.000 2.679 180 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 180 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 180 G C -0.509 174.066 174.900 -0.541 0.000 1.267 180 G CA 1.171 46.163 45.100 -0.181 0.000 0.799 180 G HN 0.297 nan 8.290 nan 0.000 0.606 181 P HA -0.065 nan 4.420 nan 0.000 0.216 181 P C 2.072 178.980 177.300 -0.654 0.000 1.153 181 P CA 2.211 64.765 63.100 -0.910 0.000 0.848 181 P CB -0.237 31.000 31.700 -0.771 0.000 0.787 182 A N 0.355 122.618 122.820 -0.928 0.000 1.877 182 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 182 A C 2.487 179.963 177.584 -0.181 0.000 1.186 182 A CA 1.600 53.150 52.037 -0.813 0.000 0.620 182 A CB -1.586 16.959 19.000 -0.760 0.000 0.822 182 A HN 0.133 nan 8.150 nan 0.000 0.443 183 L N -1.070 120.118 121.223 -0.058 0.000 2.109 183 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 183 L C 3.046 180.094 176.870 0.296 0.000 1.086 183 L CA 0.834 55.838 54.840 0.272 0.000 0.760 183 L CB -0.608 41.615 42.059 0.273 0.000 0.910 183 L HN 0.415 nan 8.230 nan 0.000 0.437 184 A N 0.357 123.265 122.820 0.147 0.000 1.978 184 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 184 A C 2.203 179.861 177.584 0.124 0.000 1.170 184 A CA 2.177 54.312 52.037 0.164 0.000 0.636 184 A CB -0.851 18.280 19.000 0.218 0.000 0.810 184 A HN 0.516 nan 8.150 nan 0.000 0.448 185 T N -4.260 110.353 114.554 0.097 0.000 3.144 185 T HA 0.424 4.774 4.350 -0.000 0.000 0.249 185 T C 1.193 175.981 174.700 0.146 0.000 1.089 185 T CA 0.894 63.071 62.100 0.128 0.000 0.989 185 T CB -0.015 68.938 68.868 0.140 0.000 0.992 185 T HN 1.679 nan 8.240 nan 0.000 0.540 186 G N 1.667 110.555 108.800 0.147 0.000 2.147 186 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 186 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 186 G C -0.075 175.136 174.900 0.519 0.000 1.005 186 G CA -0.258 44.917 45.100 0.125 0.000 0.713 186 G HN 0.596 nan 8.290 nan 0.000 0.515 187 N N -0.749 118.242 118.700 0.485 0.000 2.413 187 N HA 0.615 5.355 4.740 -0.000 0.000 0.266 187 N C 0.495 176.247 175.510 0.403 0.000 1.238 187 N CA 0.358 53.627 53.050 0.365 0.000 0.972 187 N CB 1.880 40.464 38.487 0.161 0.000 1.210 187 N HN 0.649 nan 8.380 nan 0.000 0.547 188 V N -1.953 118.034 119.914 0.121 0.000 2.769 188 V HA 0.723 4.843 4.120 -0.000 0.000 0.312 188 V C -0.138 175.923 176.094 -0.055 0.000 1.058 188 V CA -0.724 61.580 62.300 0.006 0.000 0.952 188 V CB 1.615 33.453 31.823 0.025 0.000 1.019 188 V HN 0.251 nan 8.190 nan 0.000 0.445 189 V N 2.939 122.801 119.914 -0.087 0.000 2.735 189 V HA 0.590 4.710 4.120 -0.000 0.000 0.310 189 V C -0.473 175.587 176.094 -0.057 0.000 1.061 189 V CA -0.532 61.728 62.300 -0.067 0.000 0.913 189 V CB 2.106 33.877 31.823 -0.087 0.000 1.005 189 V HN 0.791 nan 8.190 nan 0.000 0.428 190 V N 5.239 125.132 119.914 -0.034 0.000 2.305 190 V HA 0.431 4.551 4.120 -0.000 0.000 0.275 190 V C -0.172 175.927 176.094 0.008 0.000 1.020 190 V CA -0.206 62.081 62.300 -0.021 0.000 0.811 190 V CB 1.294 33.092 31.823 -0.042 0.000 1.031 190 V HN 0.905 nan 8.190 nan 0.000 0.439 191 M N 4.743 124.353 119.600 0.016 0.000 2.209 191 M HA 0.540 5.020 4.480 -0.000 0.000 0.355 191 M C -0.444 175.889 176.300 0.055 0.000 1.171 191 M CA -0.436 54.883 55.300 0.032 0.000 1.069 191 M CB 1.069 33.674 32.600 0.009 0.000 1.622 191 M HN 0.339 nan 8.290 nan 0.000 0.459 192 K N 5.515 125.957 120.400 0.069 0.000 2.389 192 K HA 0.369 4.689 4.320 -0.000 0.000 0.261 192 K C -1.234 175.418 176.600 0.086 0.000 1.014 192 K CA -0.370 55.968 56.287 0.084 0.000 0.920 192 K CB 0.732 33.290 32.500 0.096 0.000 1.149 192 K HN 0.677 nan 8.250 nan 0.000 0.444 193 V N 0.883 120.851 119.914 0.090 0.000 2.904 193 V HA 0.630 4.750 4.120 -0.000 0.000 0.305 193 V C 0.518 176.678 176.094 0.109 0.000 1.067 193 V CA -1.170 61.186 62.300 0.093 0.000 1.044 193 V CB 1.063 32.944 31.823 0.098 0.000 1.050 193 V HN 0.696 nan 8.190 nan 0.000 0.475 194 A N 2.845 125.741 122.820 0.128 0.000 2.511 194 A HA 0.257 4.577 4.320 -0.000 0.000 0.242 194 A C 1.352 179.024 177.584 0.147 0.000 1.069 194 A CA 0.303 52.444 52.037 0.172 0.000 0.763 194 A CB 0.013 19.184 19.000 0.286 0.000 1.001 194 A HN 1.131 nan 8.150 nan 0.000 0.498 195 E N 2.170 122.408 120.200 0.063 0.000 2.265 195 E HA -0.275 4.075 4.350 -0.000 0.000 0.196 195 E C 1.016 177.703 176.600 0.145 0.000 0.996 195 E CA 1.760 58.131 56.400 -0.050 0.000 0.832 195 E CB -0.237 29.229 29.700 -0.391 0.000 0.756 195 E HN 0.843 nan 8.360 nan 0.000 0.491 196 Q N 0.691 120.558 119.800 0.110 0.000 2.269 196 Q HA 0.013 4.353 4.340 -0.000 0.000 0.201 196 Q C 0.696 176.755 176.000 0.098 0.000 0.946 196 Q CA 1.615 57.451 55.803 0.056 0.000 0.877 196 Q CB 0.498 29.157 28.738 -0.133 0.000 0.963 196 Q HN 0.446 nan 8.270 nan 0.000 0.472 197 T N -3.293 111.352 114.554 0.151 0.000 3.658 197 T HA 0.289 4.639 4.350 -0.000 0.000 0.245 197 T C -2.450 172.324 174.700 0.124 0.000 1.292 197 T CA -1.300 60.874 62.100 0.125 0.000 1.598 197 T CB 1.086 70.036 68.868 0.137 0.000 0.861 197 T HN -0.045 nan 8.240 nan 0.000 0.663 198 P HA 0.196 nan 4.420 nan 0.000 0.239 198 P C 1.667 179.028 177.300 0.101 0.000 1.188 198 P CA -0.127 63.053 63.100 0.132 0.000 0.794 198 P CB 0.359 32.167 31.700 0.181 0.000 0.937 199 L N 0.674 121.939 121.223 0.070 0.000 1.956 199 L HA -0.193 4.147 4.340 -0.000 0.000 0.216 199 L C 2.850 179.785 176.870 0.108 0.000 1.073 199 L CA 2.990 57.868 54.840 0.063 0.000 0.762 199 L CB -2.366 39.704 42.059 0.018 0.000 0.889 199 L HN 0.112 nan 8.230 nan 0.000 0.433 200 T N -1.790 112.813 114.554 0.081 0.000 2.720 200 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 200 T C 1.958 176.749 174.700 0.152 0.000 1.037 200 T CA 1.213 63.380 62.100 0.113 0.000 1.144 200 T CB -0.600 68.302 68.868 0.057 0.000 0.864 200 T HN 0.364 nan 8.240 nan 0.000 0.444 201 A N 1.731 124.613 122.820 0.104 0.000 1.908 201 A HA 0.116 4.436 4.320 -0.000 0.000 0.218 201 A C 2.506 180.140 177.584 0.083 0.000 1.181 201 A CA 1.501 53.582 52.037 0.073 0.000 0.627 201 A CB -0.943 18.091 19.000 0.057 0.000 0.818 201 A HN 0.565 nan 8.150 nan 0.000 0.445 202 L N -2.340 118.975 121.223 0.154 0.000 2.093 202 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 202 L C 2.583 179.629 176.870 0.293 0.000 1.085 202 L CA 1.621 56.614 54.840 0.256 0.000 0.755 202 L CB -0.582 41.638 42.059 0.269 0.000 0.904 202 L HN 0.589 nan 8.230 nan 0.000 0.435 203 Y N 0.159 120.549 120.300 0.150 0.000 2.242 203 Y HA -0.190 4.360 4.550 -0.000 0.000 0.291 203 Y C 2.374 178.342 175.900 0.114 0.000 1.137 203 Y CA 1.284 59.491 58.100 0.178 0.000 1.181 203 Y CB -0.180 38.430 38.460 0.249 0.000 0.989 203 Y HN -0.174 nan 8.280 nan 0.000 0.527 204 V N 0.320 120.273 119.914 0.064 0.000 2.490 204 V HA -0.320 3.800 4.120 -0.000 0.000 0.250 204 V C 2.613 178.561 176.094 -0.243 0.000 1.061 204 V CA 1.639 63.899 62.300 -0.067 0.000 1.064 204 V CB -1.432 30.391 31.823 0.000 0.000 0.670 204 V HN 0.566 nan 8.190 nan 0.000 0.461 205 A N 0.170 122.783 122.820 -0.344 0.000 1.972 205 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 205 A C 2.046 179.156 177.584 -0.790 0.000 1.169 205 A CA 2.223 53.756 52.037 -0.841 0.000 0.635 205 A CB -0.748 17.433 19.000 -1.366 0.000 0.810 205 A HN 0.594 nan 8.150 nan 0.000 0.446 206 N N -0.123 118.376 118.700 -0.333 0.000 2.188 206 N HA -0.030 4.710 4.740 -0.000 0.000 0.184 206 N C 1.502 176.912 175.510 -0.168 0.000 1.018 206 N CA 1.211 54.204 53.050 -0.095 0.000 0.858 206 N CB -0.294 38.158 38.487 -0.059 0.000 0.989 206 N HN 0.486 nan 8.380 nan 0.000 0.426 207 L N -0.118 120.946 121.223 -0.266 0.000 2.217 207 L HA -0.008 4.332 4.340 -0.000 0.000 0.211 207 L C 1.925 178.771 176.870 -0.040 0.000 1.107 207 L CA 0.556 55.307 54.840 -0.149 0.000 0.783 207 L CB -0.284 41.696 42.059 -0.132 0.000 0.919 207 L HN 0.224 nan 8.230 nan 0.000 0.442 208 I N 0.138 120.648 120.570 -0.100 0.000 2.286 208 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 208 I C 2.716 178.920 176.117 0.146 0.000 1.115 208 I CA 1.292 62.572 61.300 -0.033 0.000 1.392 208 I CB -0.217 37.609 38.000 -0.291 0.000 1.065 208 I HN 0.275 nan 8.210 nan 0.000 0.418 209 K N 1.200 121.658 120.400 0.097 0.000 2.031 209 K HA -0.229 4.091 4.320 -0.000 0.000 0.205 209 K C 2.079 178.747 176.600 0.113 0.000 1.049 209 K CA 1.493 57.874 56.287 0.156 0.000 0.939 209 K CB -0.068 32.547 32.500 0.191 0.000 0.717 209 K HN 0.227 nan 8.250 nan 0.000 0.438 210 E N -0.075 120.168 120.200 0.072 0.000 2.204 210 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 210 E C 1.589 178.229 176.600 0.067 0.000 0.990 210 E CA 0.861 57.292 56.400 0.052 0.000 0.821 210 E CB -0.048 29.662 29.700 0.015 0.000 0.750 210 E HN 0.443 nan 8.360 nan 0.000 0.477 211 A N 0.025 122.911 122.820 0.111 0.000 2.067 211 A HA 0.063 4.383 4.320 -0.000 0.000 0.219 211 A C 1.887 179.490 177.584 0.032 0.000 1.158 211 A CA 1.397 53.500 52.037 0.109 0.000 0.661 211 A CB -0.384 18.767 19.000 0.252 0.000 0.801 211 A HN 0.506 nan 8.150 nan 0.000 0.452 212 G N -2.895 105.950 108.800 0.075 0.000 2.168 212 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.197 212 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.197 212 G C 0.001 174.908 174.900 0.012 0.000 0.997 212 G CA -0.202 44.913 45.100 0.024 0.000 0.658 212 G HN 0.277 nan 8.290 nan 0.000 0.513 213 F N 1.949 121.906 119.950 0.012 0.000 2.578 213 F HA 0.390 4.917 4.527 -0.000 0.000 0.376 213 F C -1.099 174.672 175.800 -0.048 0.000 1.085 213 F CA -1.152 56.825 58.000 -0.039 0.000 1.260 213 F CB 0.443 39.359 39.000 -0.139 0.000 1.095 213 F HN -0.086 nan 8.300 nan 0.000 0.573 214 P HA 0.026 nan 4.420 nan 0.000 0.268 214 P C -2.533 174.768 177.300 0.001 0.000 1.208 214 P CA -0.757 62.390 63.100 0.078 0.000 0.777 214 P CB 0.072 31.855 31.700 0.139 0.000 0.875 215 P HA 0.072 nan 4.420 nan 0.000 0.268 215 P C 0.939 178.188 177.300 -0.085 0.000 1.204 215 P CA 1.229 64.286 63.100 -0.073 0.000 0.768 215 P CB 0.156 31.816 31.700 -0.066 0.000 0.842 216 G N 1.408 110.131 108.800 -0.129 0.000 2.217 216 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.246 216 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.246 216 G C 0.997 175.814 174.900 -0.139 0.000 0.990 216 G CA 0.238 45.271 45.100 -0.111 0.000 0.627 216 G HN 0.395 nan 8.290 nan 0.000 0.522 217 V N -0.163 119.614 119.914 -0.227 0.000 2.427 217 V HA 0.105 4.225 4.120 -0.000 0.000 0.248 217 V C 1.380 177.286 176.094 -0.314 0.000 1.051 217 V CA 1.948 63.992 62.300 -0.425 0.000 1.048 217 V CB 0.164 31.483 31.823 -0.839 0.000 0.666 217 V HN 0.400 nan 8.190 nan 0.000 0.456 218 V N 1.552 121.336 119.914 -0.217 0.000 2.525 218 V HA 0.476 4.596 4.120 -0.000 0.000 0.299 218 V C -0.904 175.209 176.094 0.032 0.000 1.034 218 V CA -0.752 61.463 62.300 -0.142 0.000 0.863 218 V CB 1.796 33.476 31.823 -0.239 0.000 0.999 218 V HN 0.413 nan 8.190 nan 0.000 0.423 219 N N 5.457 124.170 118.700 0.023 0.000 2.399 219 N HA 0.604 5.344 4.740 -0.000 0.000 0.284 219 N C -1.156 174.410 175.510 0.092 0.000 1.025 219 N CA -0.365 52.736 53.050 0.085 0.000 0.885 219 N CB 2.919 41.401 38.487 -0.007 0.000 1.339 219 N HN 0.508 nan 8.380 nan 0.000 0.487 220 I N 1.727 122.397 120.570 0.167 0.000 2.378 220 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 220 I C -0.286 175.920 176.117 0.149 0.000 0.992 220 I CA -0.951 60.419 61.300 0.115 0.000 1.154 220 I CB 1.922 39.966 38.000 0.073 0.000 1.315 220 I HN 0.030 nan 8.210 nan 0.000 0.448 221 V N 8.347 128.333 119.914 0.120 0.000 2.284 221 V HA 0.293 4.413 4.120 -0.000 0.000 0.274 221 V C -2.100 174.075 176.094 0.135 0.000 1.023 221 V CA -1.545 60.833 62.300 0.129 0.000 0.808 221 V CB 1.249 33.130 31.823 0.097 0.000 1.035 221 V HN 0.575 nan 8.190 nan 0.000 0.445 222 P HA 0.588 nan 4.420 nan 0.000 0.278 222 P C 0.128 177.541 177.300 0.188 0.000 1.238 222 P CA 0.428 63.649 63.100 0.201 0.000 0.794 222 P CB 2.164 34.013 31.700 0.248 0.000 0.955 223 G N 1.083 109.901 108.800 0.030 0.000 2.333 223 G HA2 0.294 4.254 3.960 -0.000 0.000 0.288 223 G HA3 0.294 4.254 3.960 -0.000 0.000 0.288 223 G C -1.570 173.010 174.900 -0.533 0.000 1.286 223 G CA -0.869 44.054 45.100 -0.295 0.000 0.865 223 G HN 0.272 nan 8.290 nan 0.000 0.506 224 F N 0.606 120.433 119.950 -0.205 0.000 2.378 224 F HA 0.495 5.022 4.527 -0.000 0.000 0.319 224 F C 1.891 177.657 175.800 -0.057 0.000 1.155 224 F CA 0.499 58.397 58.000 -0.171 0.000 1.157 224 F CB 1.441 40.344 39.000 -0.163 0.000 1.252 224 F HN 0.638 nan 8.300 nan 0.000 0.550 225 G N 0.667 109.586 108.800 0.198 0.000 2.434 225 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.214 225 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.214 225 G C -0.968 173.982 174.900 0.084 0.000 1.202 225 G CA 0.489 45.664 45.100 0.125 0.000 0.788 225 G HN 0.469 nan 8.290 nan 0.000 0.539 226 P HA -0.046 nan 4.420 nan 0.000 0.223 226 P C 1.830 179.155 177.300 0.042 0.000 1.144 226 P CA 2.007 65.123 63.100 0.026 0.000 0.783 226 P CB -0.016 31.682 31.700 -0.003 0.000 0.771 227 T N -3.827 110.777 114.554 0.083 0.000 3.401 227 T HA 0.256 4.606 4.350 -0.000 0.000 0.225 227 T C 1.944 176.692 174.700 0.080 0.000 0.961 227 T CA 0.613 62.766 62.100 0.088 0.000 1.429 227 T CB -1.133 67.817 68.868 0.137 0.000 1.213 227 T HN -0.097 nan 8.240 nan 0.000 0.440 228 A N 1.701 124.574 122.820 0.089 0.000 1.873 228 A HA 0.273 4.593 4.320 -0.000 0.000 0.215 228 A C 2.651 180.281 177.584 0.077 0.000 1.186 228 A CA 1.895 53.979 52.037 0.079 0.000 0.616 228 A CB -1.742 17.301 19.000 0.071 0.000 0.823 228 A HN 0.701 nan 8.150 nan 0.000 0.442 229 G N -0.443 108.405 108.800 0.079 0.000 2.446 229 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.217 229 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.217 229 G C 1.731 176.660 174.900 0.049 0.000 1.168 229 G CA 1.509 46.656 45.100 0.078 0.000 0.771 229 G HN 0.846 nan 8.290 nan 0.000 0.551 230 A N 0.850 123.690 122.820 0.032 0.000 2.015 230 A HA 0.389 4.709 4.320 -0.000 0.000 0.219 230 A C 2.732 180.334 177.584 0.030 0.000 1.163 230 A CA 1.902 53.946 52.037 0.010 0.000 0.646 230 A CB -0.524 18.475 19.000 -0.002 0.000 0.806 230 A HN 0.732 nan 8.150 nan 0.000 0.448 231 A N 0.125 122.977 122.820 0.053 0.000 1.930 231 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 231 A C 2.080 179.736 177.584 0.120 0.000 1.175 231 A CA 1.465 53.547 52.037 0.076 0.000 0.627 231 A CB -0.501 18.552 19.000 0.088 0.000 0.815 231 A HN 0.496 nan 8.150 nan 0.000 0.443 232 I N -0.408 120.222 120.570 0.100 0.000 2.233 232 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 232 I C 2.967 179.138 176.117 0.090 0.000 1.093 232 I CA 0.990 62.348 61.300 0.097 0.000 1.380 232 I CB -0.377 37.663 38.000 0.068 0.000 1.067 232 I HN 0.336 nan 8.210 nan 0.000 0.413 233 A N -0.188 122.666 122.820 0.056 0.000 1.978 233 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 233 A C 2.359 179.962 177.584 0.031 0.000 1.170 233 A CA 2.151 54.205 52.037 0.028 0.000 0.636 233 A CB -0.504 18.487 19.000 -0.015 0.000 0.810 233 A HN 0.395 nan 8.150 nan 0.000 0.448 234 S N -1.309 114.414 115.700 0.039 0.000 2.535 234 S HA 0.074 4.544 4.470 -0.000 0.000 0.214 234 S C 0.642 175.260 174.600 0.030 0.000 0.980 234 S CA -0.538 57.674 58.200 0.019 0.000 0.907 234 S CB -0.243 62.954 63.200 -0.006 0.000 0.790 234 S HN 0.674 nan 8.310 nan 0.000 0.510 235 H N 2.773 121.842 119.070 -0.001 0.000 3.034 235 H HA 0.038 4.594 4.556 -0.000 0.000 0.324 235 H C 0.985 176.312 175.328 -0.001 0.000 1.015 235 H CA 0.637 56.685 56.048 0.001 0.000 1.429 235 H CB 0.602 30.367 29.762 0.005 0.000 1.429 235 H HN 0.145 nan 8.280 nan 0.000 0.585 236 E N 2.968 123.164 120.200 -0.008 0.000 2.274 236 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 236 E C 0.732 177.436 176.600 0.173 0.000 0.996 236 E CA 0.803 57.238 56.400 0.059 0.000 0.840 236 E CB 0.258 29.939 29.700 -0.031 0.000 0.772 236 E HN 0.593 nan 8.360 nan 0.000 0.491 237 D N -0.455 120.194 120.400 0.414 0.000 2.395 237 D HA 0.039 4.679 4.640 -0.000 0.000 0.213 237 D C -0.574 175.761 176.300 0.058 0.000 1.110 237 D CA -0.037 54.084 54.000 0.202 0.000 0.835 237 D CB 0.654 41.566 40.800 0.187 0.000 0.965 237 D HN -0.198 nan 8.370 nan 0.000 0.505 238 V N 1.897 121.851 119.914 0.066 0.000 2.406 238 V HA 0.119 4.239 4.120 -0.000 0.000 0.272 238 V C 0.982 177.074 176.094 -0.003 0.000 1.043 238 V CA -0.317 61.970 62.300 -0.021 0.000 0.915 238 V CB 1.678 33.495 31.823 -0.010 0.000 0.988 238 V HN 0.051 nan 8.190 nan 0.000 0.466 239 D N 3.310 123.688 120.400 -0.038 0.000 2.249 239 D HA 0.032 4.672 4.640 -0.000 0.000 0.205 239 D C 0.743 177.023 176.300 -0.033 0.000 0.962 239 D CA 0.904 54.884 54.000 -0.034 0.000 0.860 239 D CB 0.743 41.505 40.800 -0.064 0.000 0.955 239 D HN 0.489 nan 8.370 nan 0.000 0.505 240 K N 0.378 120.759 120.400 -0.032 0.000 2.542 240 K HA 0.370 4.690 4.320 -0.000 0.000 0.259 240 K C -2.090 174.506 176.600 -0.007 0.000 0.932 240 K CA -0.587 55.679 56.287 -0.035 0.000 0.820 240 K CB 3.139 35.597 32.500 -0.068 0.000 1.345 240 K HN -0.193 nan 8.250 nan 0.000 0.432 241 V N 2.767 122.681 119.914 -0.000 0.000 2.483 241 V HA 0.764 4.884 4.120 -0.000 0.000 0.297 241 V C -1.316 174.811 176.094 0.057 0.000 1.027 241 V CA -0.324 62.001 62.300 0.041 0.000 0.855 241 V CB 1.313 33.164 31.823 0.047 0.000 0.995 241 V HN 0.864 nan 8.190 nan 0.000 0.424 242 A N 6.981 129.857 122.820 0.093 0.000 2.271 242 A HA 0.822 5.141 4.320 -0.000 0.000 0.317 242 A C -1.149 176.542 177.584 0.178 0.000 1.245 242 A CA -0.424 51.677 52.037 0.106 0.000 0.857 242 A CB 0.693 19.765 19.000 0.119 0.000 1.175 242 A HN 1.099 nan 8.150 nan 0.000 0.512 243 F N 2.101 122.069 119.950 0.030 0.000 2.532 243 F HA 0.727 5.254 4.527 -0.000 0.000 0.321 243 F C -0.289 175.533 175.800 0.036 0.000 1.089 243 F CA -0.145 57.873 58.000 0.031 0.000 0.926 243 F CB 2.392 41.404 39.000 0.019 0.000 1.168 243 F HN 0.387 nan 8.300 nan 0.000 0.459 244 T N 4.355 118.204 114.554 -1.175 0.000 2.965 244 T HA 0.731 5.081 4.350 -0.000 0.000 0.306 244 T C -0.201 173.799 174.700 -1.167 0.000 0.991 244 T CA -0.256 61.338 62.100 -0.843 0.000 1.001 244 T CB 1.002 69.669 68.868 -0.335 0.000 0.984 244 T HN 1.114 nan 8.240 nan 0.000 0.446 245 G N 2.042 110.348 108.800 -0.823 0.000 2.498 245 G HA2 0.471 4.431 3.960 -0.000 0.000 0.181 245 G HA3 0.471 4.431 3.960 -0.000 0.000 0.181 245 G C -0.592 174.292 174.900 -0.028 0.000 1.169 245 G CA -0.201 44.670 45.100 -0.382 0.000 0.992 245 G HN 0.913 nan 8.290 nan 0.000 0.490 246 S N -0.217 115.569 115.700 0.142 0.000 2.585 246 S HA 0.435 4.905 4.470 -0.000 0.000 0.273 246 S C 1.285 176.011 174.600 0.209 0.000 1.339 246 S CA 1.014 59.282 58.200 0.113 0.000 1.028 246 S CB 1.342 64.593 63.200 0.085 0.000 0.906 246 S HN 0.763 nan 8.310 nan 0.000 0.528 247 T N 1.745 116.402 114.554 0.172 0.000 2.788 247 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 247 T C 1.796 176.558 174.700 0.102 0.000 1.044 247 T CA 1.771 63.975 62.100 0.174 0.000 1.139 247 T CB -0.529 68.468 68.868 0.214 0.000 0.867 247 T HN 0.943 nan 8.240 nan 0.000 0.454 248 E N 0.801 121.050 120.200 0.082 0.000 2.077 248 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 248 E C 1.856 178.448 176.600 -0.014 0.000 0.989 248 E CA 1.085 57.505 56.400 0.033 0.000 0.800 248 E CB -0.428 29.293 29.700 0.034 0.000 0.746 248 E HN 0.327 nan 8.360 nan 0.000 0.452 249 I N 1.842 122.400 120.570 -0.020 0.000 2.617 249 I HA -0.008 4.162 4.170 -0.000 0.000 0.256 249 I C 2.405 178.302 176.117 -0.366 0.000 1.167 249 I CA 1.232 62.428 61.300 -0.174 0.000 1.469 249 I CB -0.537 37.370 38.000 -0.155 0.000 1.098 249 I HN 0.313 nan 8.210 nan 0.000 0.436 250 G N 0.367 109.056 108.800 -0.184 0.000 2.448 250 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 250 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 250 G C 1.854 176.690 174.900 -0.107 0.000 1.127 250 G CA 0.517 45.539 45.100 -0.129 0.000 0.766 250 G HN 0.328 nan 8.290 nan 0.000 0.552 251 R N -0.232 120.222 120.500 -0.076 0.000 2.093 251 R HA 0.071 4.410 4.340 -0.000 0.000 0.224 251 R C 2.571 178.819 176.300 -0.086 0.000 1.101 251 R CA 0.852 56.917 56.100 -0.058 0.000 0.979 251 R CB -0.473 29.806 30.300 -0.036 0.000 0.877 251 R HN 0.278 nan 8.270 nan 0.000 0.441 252 V N 1.723 121.565 119.914 -0.119 0.000 2.343 252 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 252 V C 2.330 178.344 176.094 -0.133 0.000 1.051 252 V CA 1.469 63.698 62.300 -0.118 0.000 1.036 252 V CB -0.441 31.303 31.823 -0.131 0.000 0.654 252 V HN 0.218 nan 8.190 nan 0.000 0.451 253 I N 0.158 120.604 120.570 -0.206 0.000 2.163 253 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 253 I C 2.578 178.638 176.117 -0.095 0.000 1.085 253 I CA 2.084 63.273 61.300 -0.185 0.000 1.347 253 I CB -1.265 36.558 38.000 -0.295 0.000 1.044 253 I HN 0.442 nan 8.210 nan 0.000 0.408 254 Q N 0.655 120.408 119.800 -0.078 0.000 2.124 254 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 254 Q C 2.239 178.214 176.000 -0.041 0.000 0.977 254 Q CA 1.532 57.308 55.803 -0.044 0.000 0.850 254 Q CB 0.091 28.810 28.738 -0.032 0.000 0.901 254 Q HN 0.322 nan 8.270 nan 0.000 0.429 255 V N 0.637 120.523 119.914 -0.048 0.000 2.307 255 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 255 V C 2.311 178.383 176.094 -0.037 0.000 1.045 255 V CA 1.663 63.939 62.300 -0.040 0.000 1.024 255 V CB -1.056 30.742 31.823 -0.042 0.000 0.651 255 V HN 0.541 nan 8.190 nan 0.000 0.449 256 A N -0.071 122.723 122.820 -0.044 0.000 1.972 256 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 256 A C 2.360 179.930 177.584 -0.024 0.000 1.169 256 A CA 2.035 54.051 52.037 -0.035 0.000 0.635 256 A CB -0.588 18.387 19.000 -0.042 0.000 0.810 256 A HN 0.565 nan 8.150 nan 0.000 0.446 257 A N -0.689 122.116 122.820 -0.024 0.000 1.897 257 A HA 0.235 4.555 4.320 -0.000 0.000 0.215 257 A C 2.340 179.915 177.584 -0.015 0.000 1.181 257 A CA 1.590 53.618 52.037 -0.015 0.000 0.620 257 A CB -1.140 17.851 19.000 -0.016 0.000 0.821 257 A HN 0.681 nan 8.150 nan 0.000 0.443 258 G N -1.080 107.708 108.800 -0.020 0.000 2.448 258 G HA2 -0.010 3.949 3.960 -0.000 0.000 0.218 258 G HA3 -0.010 3.949 3.960 -0.000 0.000 0.218 258 G C 1.587 176.476 174.900 -0.017 0.000 1.135 258 G CA 1.139 46.228 45.100 -0.019 0.000 0.784 258 G HN 0.466 nan 8.290 nan 0.000 0.543 259 S N 0.199 115.887 115.700 -0.019 0.000 2.496 259 S HA 0.021 4.491 4.470 -0.000 0.000 0.224 259 S C 2.361 176.951 174.600 -0.017 0.000 0.996 259 S CA 0.959 59.148 58.200 -0.019 0.000 0.927 259 S CB 0.069 63.256 63.200 -0.022 0.000 0.774 259 S HN 0.621 nan 8.310 nan 0.000 0.524 260 S N 3.145 118.836 115.700 -0.014 0.000 2.836 260 S HA 0.105 4.575 4.470 -0.000 0.000 0.164 260 S C 0.949 175.546 174.600 -0.005 0.000 0.714 260 S CA 0.169 58.362 58.200 -0.011 0.000 0.906 260 S CB -0.518 62.679 63.200 -0.005 0.000 0.702 260 S HN 0.482 nan 8.310 nan 0.000 0.571 261 N N 1.361 120.063 118.700 0.003 0.000 2.235 261 N HA 0.262 5.002 4.740 -0.000 0.000 0.231 261 N C 0.092 175.603 175.510 0.002 0.000 1.177 261 N CA -0.119 52.935 53.050 0.006 0.000 0.874 261 N CB -0.448 38.050 38.487 0.019 0.000 1.097 261 N HN 0.625 nan 8.380 nan 0.000 0.518 262 L N -0.301 120.920 121.223 -0.004 0.000 3.717 262 L HA -0.295 4.045 4.340 -0.000 0.000 0.414 262 L C 0.055 176.919 176.870 -0.010 0.000 1.228 262 L CA 0.633 55.468 54.840 -0.009 0.000 0.918 262 L CB -1.784 40.270 42.059 -0.010 0.000 1.865 262 L HN 0.457 nan 8.230 nan 0.000 0.922 263 K N 0.427 120.823 120.400 -0.007 0.000 2.336 263 K HA 0.421 4.741 4.320 -0.000 0.000 0.262 263 K C 0.387 176.974 176.600 -0.021 0.000 0.992 263 K CA -0.613 55.668 56.287 -0.010 0.000 0.927 263 K CB 0.618 33.117 32.500 -0.001 0.000 0.956 263 K HN 0.137 nan 8.250 nan 0.000 0.495 264 R N 0.802 121.281 120.500 -0.034 0.000 2.643 264 R HA 0.193 4.533 4.340 -0.000 0.000 0.270 264 R C -0.643 175.630 176.300 -0.045 0.000 1.061 264 R CA -0.449 55.622 56.100 -0.049 0.000 1.107 264 R CB 0.818 31.072 30.300 -0.076 0.000 0.999 264 R HN 0.409 nan 8.270 nan 0.000 0.460 265 V N 1.529 121.418 119.914 -0.043 0.000 2.623 265 V HA 0.300 4.420 4.120 -0.000 0.000 0.304 265 V C -0.255 175.824 176.094 -0.024 0.000 1.054 265 V CA -0.885 61.401 62.300 -0.022 0.000 0.882 265 V CB 2.059 33.877 31.823 -0.007 0.000 1.002 265 V HN 0.970 nan 8.190 nan 0.000 0.424 266 T N 3.015 117.563 114.554 -0.010 0.000 2.824 266 T HA 0.843 5.193 4.350 -0.000 0.000 0.282 266 T C -0.936 173.802 174.700 0.062 0.000 0.993 266 T CA -0.630 61.467 62.100 -0.006 0.000 0.967 266 T CB 1.399 70.234 68.868 -0.055 0.000 0.960 266 T HN 0.385 nan 8.240 nan 0.000 0.441 267 L N 2.489 123.753 121.223 0.069 0.000 2.362 267 L HA 0.572 4.912 4.340 -0.000 0.000 0.275 267 L C 0.065 176.978 176.870 0.072 0.000 0.998 267 L CA -0.835 54.085 54.840 0.132 0.000 0.820 267 L CB 2.024 44.178 42.059 0.158 0.000 1.270 267 L HN 0.641 nan 8.230 nan 0.000 0.415 268 E N 4.959 125.186 120.200 0.044 0.000 2.546 268 E HA 0.390 4.740 4.350 -0.000 0.000 0.227 268 E C -0.752 175.841 176.600 -0.011 0.000 1.009 268 E CA -0.259 56.142 56.400 0.001 0.000 0.813 268 E CB 1.257 30.961 29.700 0.007 0.000 1.269 268 E HN 0.476 nan 8.360 nan 0.000 0.432 269 L N -0.004 121.245 121.223 0.043 0.000 2.469 269 L HA 0.495 4.834 4.340 -0.000 0.000 0.253 269 L C 1.457 178.334 176.870 0.012 0.000 1.143 269 L CA -0.769 54.111 54.840 0.067 0.000 0.804 269 L CB 0.391 42.544 42.059 0.157 0.000 1.214 269 L HN 0.311 nan 8.230 nan 0.000 0.476 270 G N -1.017 107.755 108.800 -0.047 0.000 2.468 270 G HA2 0.531 4.491 3.960 -0.000 0.000 0.264 270 G HA3 0.531 4.491 3.960 -0.000 0.000 0.264 270 G C -0.216 174.424 174.900 -0.433 0.000 1.460 270 G CA 0.242 45.239 45.100 -0.171 0.000 1.060 270 G HN 0.919 nan 8.290 nan 0.000 0.543 271 G N -2.359 106.048 108.800 -0.655 0.000 2.495 271 G HA2 0.465 4.425 3.960 -0.000 0.000 0.294 271 G HA3 0.465 4.425 3.960 -0.000 0.000 0.294 271 G C -1.385 173.240 174.900 -0.458 0.000 1.397 271 G CA -0.489 44.147 45.100 -0.774 0.000 0.790 271 G HN 0.546 nan 8.290 nan 0.000 0.486 272 K N 0.665 121.006 120.400 -0.099 0.000 3.206 272 K HA 0.474 4.794 4.320 -0.000 0.000 0.180 272 K C 0.155 176.830 176.600 0.126 0.000 1.088 272 K CA -0.355 55.972 56.287 0.067 0.000 0.872 272 K CB 0.122 32.748 32.500 0.210 0.000 0.976 272 K HN 0.431 nan 8.250 nan 0.000 0.564 273 S N 3.735 119.508 115.700 0.122 0.000 2.596 273 S HA 0.052 4.522 4.470 -0.000 0.000 0.298 273 S C -2.278 172.456 174.600 0.223 0.000 1.255 273 S CA -0.425 57.885 58.200 0.184 0.000 1.083 273 S CB 0.097 63.459 63.200 0.269 0.000 0.837 273 S HN 0.372 nan 8.310 nan 0.000 0.499 274 P HA 0.179 nan 4.420 nan 0.000 0.286 274 P C -1.018 176.466 177.300 0.307 0.000 1.269 274 P CA -0.603 62.680 63.100 0.305 0.000 0.787 274 P CB 0.523 32.373 31.700 0.249 0.000 0.920 275 N N 3.923 122.800 118.700 0.295 0.000 2.626 275 N HA 0.283 5.023 4.740 -0.000 0.000 0.242 275 N C -0.560 175.087 175.510 0.229 0.000 1.005 275 N CA -0.603 52.610 53.050 0.271 0.000 0.905 275 N CB 0.423 38.959 38.487 0.081 0.000 1.128 275 N HN 0.317 nan 8.380 nan 0.000 0.512 276 I N 4.544 125.253 120.570 0.232 0.000 2.337 276 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 276 I C -0.061 176.198 176.117 0.237 0.000 1.046 276 I CA -0.538 60.859 61.300 0.162 0.000 1.324 276 I CB 0.775 38.772 38.000 -0.004 0.000 1.409 276 I HN 0.365 nan 8.210 nan 0.000 0.494 277 I N 7.230 127.916 120.570 0.193 0.000 2.306 277 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 277 I C 0.327 176.601 176.117 0.263 0.000 1.036 277 I CA -0.516 60.872 61.300 0.147 0.000 1.221 277 I CB 0.709 38.584 38.000 -0.207 0.000 1.385 277 I HN 0.489 nan 8.210 nan 0.000 0.472 278 M N 3.607 123.383 119.600 0.293 0.000 2.202 278 M HA 0.120 4.600 4.480 -0.000 0.000 0.316 278 M C 1.771 178.162 176.300 0.152 0.000 1.138 278 M CA 0.088 55.545 55.300 0.262 0.000 1.151 278 M CB 0.623 33.367 32.600 0.239 0.000 1.422 278 M HN 0.677 nan 8.290 nan 0.000 0.471 279 S N 0.617 116.369 115.700 0.086 0.000 2.400 279 S HA -0.168 4.302 4.470 -0.000 0.000 0.232 279 S C 0.869 175.521 174.600 0.087 0.000 1.025 279 S CA 1.515 59.748 58.200 0.056 0.000 0.993 279 S CB -0.520 62.689 63.200 0.016 0.000 0.808 279 S HN 0.745 nan 8.310 nan 0.000 0.478 280 D N 2.038 122.499 120.400 0.102 0.000 2.328 280 D HA 0.354 4.994 4.640 -0.000 0.000 0.226 280 D C 0.644 177.027 176.300 0.140 0.000 1.066 280 D CA 0.322 54.385 54.000 0.105 0.000 0.861 280 D CB -0.466 40.386 40.800 0.087 0.000 0.912 280 D HN 0.571 nan 8.370 nan 0.000 0.521 281 A N 0.544 123.472 122.820 0.181 0.000 2.406 281 A HA 0.179 4.499 4.320 -0.000 0.000 0.243 281 A C -0.092 177.638 177.584 0.243 0.000 1.082 281 A CA -0.372 51.816 52.037 0.251 0.000 0.786 281 A CB 0.033 19.230 19.000 0.328 0.000 1.029 281 A HN 0.157 nan 8.150 nan 0.000 0.495 282 D N 1.610 122.189 120.400 0.298 0.000 2.342 282 D HA 0.190 4.830 4.640 -0.000 0.000 0.260 282 D C 1.118 177.596 176.300 0.298 0.000 1.278 282 D CA -0.144 54.018 54.000 0.270 0.000 0.910 282 D CB 0.247 41.222 40.800 0.291 0.000 1.079 282 D HN 0.442 nan 8.370 nan 0.000 0.496 283 M N 3.465 123.196 119.600 0.218 0.000 2.088 283 M HA -0.223 4.257 4.480 -0.000 0.000 0.256 283 M C 1.195 177.600 176.300 0.175 0.000 1.071 283 M CA 1.868 57.287 55.300 0.198 0.000 1.097 283 M CB -0.235 32.451 32.600 0.143 0.000 1.315 283 M HN 0.471 nan 8.290 nan 0.000 0.406 284 D N -1.134 119.366 120.400 0.167 0.000 2.116 284 D HA -0.267 4.373 4.640 -0.000 0.000 0.193 284 D C 1.881 178.320 176.300 0.231 0.000 0.998 284 D CA 1.680 55.772 54.000 0.153 0.000 0.836 284 D CB -0.691 40.200 40.800 0.150 0.000 0.951 284 D HN 0.666 nan 8.370 nan 0.000 0.449 285 W N 1.637 122.997 121.300 0.100 0.000 2.354 285 W HA -0.177 4.483 4.660 -0.000 0.000 0.315 285 W C 2.355 178.980 176.519 0.176 0.000 1.206 285 W CA 1.429 58.864 57.345 0.151 0.000 1.290 285 W CB -0.036 29.545 29.460 0.202 0.000 1.152 285 W HN -0.052 nan 8.180 nan 0.000 0.489 286 A N 0.380 123.318 122.820 0.196 0.000 1.883 286 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 286 A C 1.999 179.506 177.584 -0.128 0.000 1.186 286 A CA 2.397 54.345 52.037 -0.148 0.000 0.624 286 A CB -1.230 17.818 19.000 0.080 0.000 0.822 286 A HN 0.175 nan 8.150 nan 0.000 0.444 287 V N -0.073 119.826 119.914 -0.026 0.000 2.295 287 V HA -0.250 3.869 4.120 -0.000 0.000 0.246 287 V C 2.631 178.618 176.094 -0.178 0.000 1.049 287 V CA 2.490 64.646 62.300 -0.241 0.000 1.024 287 V CB -0.735 30.900 31.823 -0.314 0.000 0.648 287 V HN 0.724 nan 8.190 nan 0.000 0.447 288 E N -0.174 119.943 120.200 -0.139 0.000 2.077 288 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 288 E C 2.270 178.795 176.600 -0.125 0.000 0.989 288 E CA 1.346 57.680 56.400 -0.110 0.000 0.800 288 E CB -0.216 29.428 29.700 -0.094 0.000 0.746 288 E HN 0.500 nan 8.360 nan 0.000 0.452 289 Q N -0.364 119.238 119.800 -0.330 0.000 2.083 289 Q HA 0.020 4.360 4.340 -0.000 0.000 0.198 289 Q C 2.163 178.057 176.000 -0.176 0.000 0.969 289 Q CA 1.378 57.005 55.803 -0.293 0.000 0.838 289 Q CB -0.457 28.025 28.738 -0.427 0.000 0.900 289 Q HN 0.387 nan 8.270 nan 0.000 0.436 290 A N 0.216 122.889 122.820 -0.246 0.000 1.972 290 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 290 A C 1.910 179.461 177.584 -0.056 0.000 1.169 290 A CA 1.922 53.856 52.037 -0.172 0.000 0.635 290 A CB -0.704 18.339 19.000 0.072 0.000 0.810 290 A HN 0.465 nan 8.150 nan 0.000 0.446 291 H N -1.550 117.503 119.070 -0.028 0.000 2.326 291 H HA -0.110 4.446 4.556 -0.000 0.000 0.301 291 H C 1.692 177.154 175.328 0.225 0.000 1.081 291 H CA 2.060 58.200 56.048 0.153 0.000 1.334 291 H CB -0.436 29.375 29.762 0.081 0.000 1.385 291 H HN 0.472 nan 8.280 nan 0.000 0.504 292 F N 0.727 120.659 119.950 -0.031 0.000 2.134 292 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 292 F C 2.533 178.267 175.800 -0.110 0.000 1.097 292 F CA 1.415 59.380 58.000 -0.059 0.000 1.264 292 F CB -0.610 38.340 39.000 -0.084 0.000 1.001 292 F HN 0.292 nan 8.300 nan 0.000 0.479 293 A N 0.357 122.951 122.820 -0.377 0.000 1.948 293 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 293 A C 2.118 179.379 177.584 -0.538 0.000 1.177 293 A CA 2.204 53.793 52.037 -0.746 0.000 0.636 293 A CB -1.010 17.220 19.000 -1.283 0.000 0.815 293 A HN 0.623 nan 8.150 nan 0.000 0.449 294 L N -3.140 117.813 121.223 -0.450 0.000 2.347 294 L HA 0.284 4.624 4.340 -0.000 0.000 0.196 294 L C 2.080 178.652 176.870 -0.496 0.000 1.072 294 L CA 0.742 55.291 54.840 -0.485 0.000 0.817 294 L CB -0.052 41.629 42.059 -0.630 0.000 1.029 294 L HN 0.282 nan 8.230 nan 0.000 0.478 295 F N -0.426 119.341 119.950 -0.306 0.000 2.502 295 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 295 F C 1.035 176.726 175.800 -0.181 0.000 1.111 295 F CA 0.229 58.063 58.000 -0.276 0.000 1.445 295 F CB -0.419 38.311 39.000 -0.449 0.000 1.081 295 F HN -0.036 nan 8.300 nan 0.000 0.558 296 F N 2.382 122.202 119.950 -0.216 0.000 2.623 296 F HA -0.096 4.431 4.527 -0.000 0.000 0.386 296 F C 1.160 176.873 175.800 -0.143 0.000 1.068 296 F CA -0.043 57.829 58.000 -0.213 0.000 1.265 296 F CB 0.045 38.711 39.000 -0.557 0.000 1.026 296 F HN 0.133 nan 8.300 nan 0.000 0.568 297 N N 3.643 121.829 118.700 -0.856 0.000 2.738 297 N HA -0.299 4.441 4.740 -0.000 0.000 0.249 297 N C -0.053 175.198 175.510 -0.432 0.000 1.047 297 N CA 1.333 53.904 53.050 -0.799 0.000 0.707 297 N CB -1.008 36.800 38.487 -1.131 0.000 0.937 297 N HN 0.791 nan 8.380 nan 0.000 0.545 298 Q N -2.005 117.655 119.800 -0.232 0.000 2.480 298 Q HA -0.178 4.162 4.340 -0.000 0.000 0.265 298 Q C 1.308 177.227 176.000 -0.134 0.000 1.072 298 Q CA 2.297 58.034 55.803 -0.110 0.000 1.018 298 Q CB -1.855 26.822 28.738 -0.102 0.000 1.433 298 Q HN 1.253 nan 8.270 nan 0.000 0.513 299 G N -1.156 107.520 108.800 -0.208 0.000 2.184 299 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.264 299 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.264 299 G C 0.169 174.772 174.900 -0.495 0.000 0.975 299 G CA 0.446 45.375 45.100 -0.285 0.000 0.642 299 G HN 0.474 nan 8.290 nan 0.000 0.536 300 Q N 0.046 119.512 119.800 -0.557 0.000 3.184 300 Q HA 0.474 4.814 4.340 -0.000 0.000 0.288 300 Q C -0.147 175.238 176.000 -1.026 0.000 1.412 300 Q CA -0.081 55.120 55.803 -1.004 0.000 0.991 300 Q CB 0.291 28.858 28.738 -0.285 0.000 1.688 300 Q HN 0.343 nan 8.270 nan 0.000 0.554 301 C N -0.029 118.684 119.300 -0.979 0.000 2.431 301 C HA 0.226 4.686 4.460 -0.000 0.000 0.321 301 C C 1.907 176.861 174.990 -0.060 0.000 1.202 301 C CA -1.026 57.846 59.018 -0.244 0.000 1.398 301 C CB 0.399 28.151 27.740 0.020 0.000 2.047 301 C HN 0.973 nan 8.230 nan 0.000 0.465 302 C N 0.787 120.251 119.300 0.273 0.000 2.413 302 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 302 C C 1.772 176.941 174.990 0.298 0.000 1.265 302 C CA 1.323 60.569 59.018 0.379 0.000 1.752 302 C CB -2.211 25.722 27.740 0.322 0.000 1.998 302 C HN 0.943 nan 8.230 nan 0.000 0.489 303 C N 1.184 120.714 119.300 0.384 0.000 2.469 303 C HA 0.775 5.235 4.460 -0.000 0.000 0.298 303 C C 1.105 176.356 174.990 0.435 0.000 1.436 303 C CA -0.850 58.421 59.018 0.421 0.000 1.783 303 C CB -2.410 25.723 27.740 0.655 0.000 2.726 303 C HN 0.732 nan 8.230 nan 0.000 0.541 304 A N 0.878 123.852 122.820 0.256 0.000 2.498 304 A HA 0.497 4.817 4.320 -0.000 0.000 0.239 304 A C 1.121 178.791 177.584 0.144 0.000 1.068 304 A CA 0.713 52.841 52.037 0.151 0.000 0.766 304 A CB -0.019 18.945 19.000 -0.061 0.000 1.003 304 A HN 1.225 nan 8.150 nan 0.000 0.497 305 G N 1.515 110.304 108.800 -0.018 0.000 3.008 305 G HA2 0.321 4.281 3.960 -0.000 0.000 0.272 305 G HA3 0.321 4.281 3.960 -0.000 0.000 0.272 305 G C 0.883 175.712 174.900 -0.119 0.000 0.764 305 G CA 0.383 45.435 45.100 -0.080 0.000 2.029 305 G HN 1.110 nan 8.290 nan 0.000 0.587 306 S N 0.605 116.273 115.700 -0.052 0.000 2.607 306 S HA 0.139 4.609 4.470 -0.000 0.000 0.224 306 S C 1.007 175.565 174.600 -0.070 0.000 0.969 306 S CA -0.124 58.024 58.200 -0.087 0.000 0.927 306 S CB 0.366 63.524 63.200 -0.069 0.000 0.772 306 S HN 0.422 nan 8.310 nan 0.000 0.533 307 R N 1.682 122.156 120.500 -0.043 0.000 2.607 307 R HA 0.241 4.581 4.340 -0.000 0.000 0.278 307 R C -1.219 175.007 176.300 -0.123 0.000 1.637 307 R CA -0.082 55.946 56.100 -0.121 0.000 1.325 307 R CB 1.177 31.466 30.300 -0.018 0.000 1.211 307 R HN 0.142 nan 8.270 nan 0.000 0.565 308 T N 3.751 118.209 114.554 -0.159 0.000 2.855 308 T HA 0.221 4.571 4.350 -0.000 0.000 0.290 308 T C -0.052 174.567 174.700 -0.136 0.000 0.941 308 T CA 0.079 62.123 62.100 -0.093 0.000 1.030 308 T CB -0.302 68.542 68.868 -0.040 0.000 0.935 308 T HN 0.149 nan 8.240 nan 0.000 0.564 309 F N 2.601 122.544 119.950 -0.011 0.000 2.445 309 F HA 0.395 4.922 4.527 -0.000 0.000 0.359 309 F C 0.433 176.336 175.800 0.171 0.000 1.101 309 F CA -0.623 57.415 58.000 0.063 0.000 1.177 309 F CB 0.714 39.625 39.000 -0.147 0.000 1.110 309 F HN 0.171 nan 8.300 nan 0.000 0.522 310 V N 3.923 124.096 119.914 0.432 0.000 2.540 310 V HA 0.265 4.384 4.120 -0.000 0.000 0.302 310 V C -0.142 176.038 176.094 0.144 0.000 1.035 310 V CA -1.155 61.260 62.300 0.191 0.000 0.873 310 V CB 1.595 33.297 31.823 -0.203 0.000 0.992 310 V HN 0.656 nan 8.190 nan 0.000 0.428 311 Q N 2.312 121.970 119.800 -0.237 0.000 2.364 311 Q HA 0.054 4.394 4.340 -0.000 0.000 0.267 311 Q C 1.418 177.253 176.000 -0.274 0.000 0.999 311 Q CA 0.258 55.580 55.803 -0.803 0.000 0.886 311 Q CB 0.892 29.237 28.738 -0.656 0.000 1.243 311 Q HN 0.921 nan 8.270 nan 0.000 0.415 312 E N 2.515 122.550 120.200 -0.274 0.000 2.114 312 E HA -0.329 4.021 4.350 -0.000 0.000 0.199 312 E C 0.443 177.034 176.600 -0.015 0.000 1.008 312 E CA 1.762 58.103 56.400 -0.098 0.000 0.810 312 E CB -0.099 29.525 29.700 -0.126 0.000 0.739 312 E HN 0.650 nan 8.360 nan 0.000 0.456 313 D N 1.096 121.468 120.400 -0.046 0.000 2.221 313 D HA -0.131 4.509 4.640 -0.000 0.000 0.204 313 D C 2.054 178.381 176.300 0.045 0.000 0.982 313 D CA 1.581 55.581 54.000 -0.000 0.000 0.857 313 D CB -0.099 40.693 40.800 -0.013 0.000 0.934 313 D HN 0.632 nan 8.370 nan 0.000 0.475 314 I N -3.607 116.997 120.570 0.058 0.000 4.154 314 I HA 0.165 4.335 4.170 -0.000 0.000 0.334 314 I C 1.831 178.042 176.117 0.157 0.000 1.371 314 I CA -0.544 60.816 61.300 0.100 0.000 1.110 314 I CB -0.066 37.989 38.000 0.091 0.000 1.085 314 I HN -0.246 nan 8.210 nan 0.000 0.398 315 Y N 2.967 123.287 120.300 0.033 0.000 2.053 315 Y HA -0.319 4.231 4.550 -0.000 0.000 0.277 315 Y C 2.145 178.121 175.900 0.127 0.000 1.159 315 Y CA 2.378 60.520 58.100 0.070 0.000 1.125 315 Y CB -0.186 38.289 38.460 0.026 0.000 0.969 315 Y HN 0.219 nan 8.280 nan 0.000 0.492 316 D N 0.008 120.594 120.400 0.310 0.000 2.116 316 D HA -0.239 4.401 4.640 -0.000 0.000 0.193 316 D C 2.100 178.446 176.300 0.075 0.000 0.998 316 D CA 1.857 55.972 54.000 0.191 0.000 0.836 316 D CB -0.483 40.421 40.800 0.174 0.000 0.951 316 D HN 0.627 nan 8.370 nan 0.000 0.449 317 E N -0.474 119.779 120.200 0.088 0.000 2.077 317 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 317 E C 2.108 178.732 176.600 0.039 0.000 0.989 317 E CA 0.501 56.936 56.400 0.057 0.000 0.800 317 E CB -0.196 29.547 29.700 0.073 0.000 0.746 317 E HN 0.205 nan 8.360 nan 0.000 0.452 318 F N 0.757 120.663 119.950 -0.074 0.000 2.075 318 F HA -0.222 4.305 4.527 -0.000 0.000 0.297 318 F C 2.110 177.819 175.800 -0.152 0.000 1.113 318 F CA 1.456 59.393 58.000 -0.105 0.000 1.218 318 F CB -0.360 38.572 39.000 -0.113 0.000 0.984 318 F HN -0.123 nan 8.300 nan 0.000 0.472 319 V N 0.469 120.363 119.914 -0.034 0.000 2.332 319 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 319 V C 2.373 178.378 176.094 -0.148 0.000 1.055 319 V CA 2.356 64.569 62.300 -0.147 0.000 1.038 319 V CB -0.760 30.900 31.823 -0.271 0.000 0.651 319 V HN 0.425 nan 8.190 nan 0.000 0.450 320 E N -0.116 120.018 120.200 -0.108 0.000 2.038 320 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 320 E C 2.521 179.038 176.600 -0.138 0.000 1.000 320 E CA 1.496 57.842 56.400 -0.089 0.000 0.803 320 E CB -0.062 29.609 29.700 -0.049 0.000 0.750 320 E HN 0.530 nan 8.360 nan 0.000 0.448 321 R N -0.118 120.268 120.500 -0.190 0.000 2.096 321 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 321 R C 2.597 178.719 176.300 -0.297 0.000 1.127 321 R CA 1.344 57.305 56.100 -0.232 0.000 0.968 321 R CB -0.173 29.974 30.300 -0.255 0.000 0.861 321 R HN 0.036 nan 8.270 nan 0.000 0.440 322 S N 0.347 115.807 115.700 -0.400 0.000 2.368 322 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 322 S C 2.099 176.597 174.600 -0.169 0.000 1.030 322 S CA 1.196 59.196 58.200 -0.333 0.000 0.999 322 S CB -0.086 62.885 63.200 -0.382 0.000 0.844 322 S HN 0.076 nan 8.310 nan 0.000 0.459 323 V N 1.980 121.810 119.914 -0.141 0.000 2.358 323 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 323 V C 2.629 178.651 176.094 -0.120 0.000 1.047 323 V CA 1.608 63.850 62.300 -0.096 0.000 1.035 323 V CB -1.225 30.554 31.823 -0.073 0.000 0.658 323 V HN 0.528 nan 8.190 nan 0.000 0.452 324 A N 0.431 123.168 122.820 -0.137 0.000 1.902 324 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 324 A C 2.321 179.796 177.584 -0.182 0.000 1.181 324 A CA 2.202 54.157 52.037 -0.137 0.000 0.623 324 A CB -0.529 18.395 19.000 -0.127 0.000 0.818 324 A HN 0.446 nan 8.150 nan 0.000 0.443 325 R N 0.125 120.477 120.500 -0.246 0.000 2.092 325 R HA 0.017 4.357 4.340 -0.000 0.000 0.231 325 R C 2.108 178.151 176.300 -0.428 0.000 1.119 325 R CA 1.817 57.687 56.100 -0.382 0.000 0.970 325 R CB -0.853 29.137 30.300 -0.516 0.000 0.864 325 R HN 0.399 nan 8.270 nan 0.000 0.440 326 A N 0.521 123.164 122.820 -0.294 0.000 1.930 326 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 326 A C 1.936 179.389 177.584 -0.219 0.000 1.175 326 A CA 1.540 53.413 52.037 -0.273 0.000 0.627 326 A CB -0.344 18.572 19.000 -0.141 0.000 0.815 326 A HN 0.355 nan 8.150 nan 0.000 0.443 327 K N 0.354 120.657 120.400 -0.162 0.000 2.148 327 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 327 K C 2.103 178.631 176.600 -0.119 0.000 1.050 327 K CA 1.431 57.645 56.287 -0.121 0.000 0.942 327 K CB -0.120 32.323 32.500 -0.096 0.000 0.724 327 K HN 0.649 nan 8.250 nan 0.000 0.446 328 S N 0.635 116.248 115.700 -0.146 0.000 2.562 328 S HA -0.025 4.445 4.470 -0.000 0.000 0.221 328 S C 0.883 175.411 174.600 -0.120 0.000 0.975 328 S CA -0.191 57.933 58.200 -0.126 0.000 0.918 328 S CB -0.083 63.035 63.200 -0.136 0.000 0.772 328 S HN 0.133 nan 8.310 nan 0.000 0.531 329 R N 2.103 122.516 120.500 -0.146 0.000 2.399 329 R HA 0.233 4.573 4.340 -0.000 0.000 0.324 329 R C -0.953 175.310 176.300 -0.061 0.000 1.030 329 R CA -0.176 55.865 56.100 -0.099 0.000 0.984 329 R CB 0.151 30.371 30.300 -0.133 0.000 0.961 329 R HN 0.165 nan 8.270 nan 0.000 0.433 330 V N 6.330 126.226 119.914 -0.030 0.000 2.479 330 V HA 0.056 4.176 4.120 -0.000 0.000 0.281 330 V C 0.256 176.353 176.094 0.006 0.000 1.031 330 V CA -0.083 62.207 62.300 -0.017 0.000 1.038 330 V CB 1.027 32.845 31.823 -0.009 0.000 0.981 330 V HN 0.449 nan 8.190 nan 0.000 0.478 331 V N 4.696 124.610 119.914 0.000 0.000 2.547 331 V HA 1.027 5.147 4.120 -0.000 0.000 0.299 331 V C 0.643 176.718 176.094 -0.031 0.000 1.040 331 V CA 0.501 62.827 62.300 0.043 0.000 0.913 331 V CB 1.114 32.979 31.823 0.070 0.000 0.992 331 V HN 1.165 nan 8.190 nan 0.000 0.449 332 G N 3.079 111.885 108.800 0.010 0.000 2.367 332 G HA2 0.116 4.076 3.960 -0.000 0.000 0.272 332 G HA3 0.116 4.076 3.960 -0.000 0.000 0.272 332 G C -1.040 173.895 174.900 0.058 0.000 1.271 332 G CA -0.824 44.183 45.100 -0.156 0.000 0.893 332 G HN 0.673 nan 8.290 nan 0.000 0.485 333 N N 2.214 120.919 118.700 0.010 0.000 2.414 333 N HA 0.193 4.933 4.740 -0.000 0.000 0.268 333 N C -0.404 175.173 175.510 0.113 0.000 1.286 333 N CA -0.952 52.167 53.050 0.115 0.000 0.896 333 N CB 1.293 39.832 38.487 0.086 0.000 1.093 333 N HN 0.171 nan 8.380 nan 0.000 0.480 334 P HA -0.170 nan 4.420 nan 0.000 0.220 334 P C 0.768 177.999 177.300 -0.116 0.000 1.144 334 P CA 1.340 64.398 63.100 -0.070 0.000 0.800 334 P CB -0.050 31.521 31.700 -0.214 0.000 0.772 335 F N -0.249 119.740 119.950 0.064 0.000 2.780 335 F HA 0.070 4.597 4.527 -0.000 0.000 0.299 335 F C 1.361 177.177 175.800 0.027 0.000 1.146 335 F CA 0.038 58.053 58.000 0.026 0.000 1.428 335 F CB -0.129 38.837 39.000 -0.056 0.000 1.115 335 F HN -0.108 nan 8.300 nan 0.000 0.583 336 D N 0.223 120.729 120.400 0.176 0.000 2.308 336 D HA -0.002 4.638 4.640 -0.000 0.000 0.251 336 D C 1.243 177.607 176.300 0.107 0.000 1.127 336 D CA 0.269 54.337 54.000 0.113 0.000 0.876 336 D CB 1.536 42.378 40.800 0.070 0.000 1.176 336 D HN 0.149 nan 8.370 nan 0.000 0.446 337 S N 3.760 119.519 115.700 0.099 0.000 2.419 337 S HA -0.191 4.279 4.470 -0.000 0.000 0.235 337 S C 1.431 176.071 174.600 0.067 0.000 1.019 337 S CA 0.907 59.163 58.200 0.093 0.000 0.982 337 S CB -0.042 63.204 63.200 0.077 0.000 0.789 337 S HN 0.521 nan 8.310 nan 0.000 0.490 338 K N 1.032 121.461 120.400 0.050 0.000 2.366 338 K HA 0.097 4.417 4.320 -0.000 0.000 0.198 338 K C 0.102 176.724 176.600 0.036 0.000 1.044 338 K CA 0.513 56.821 56.287 0.034 0.000 0.973 338 K CB -0.190 32.321 32.500 0.018 0.000 0.767 338 K HN 0.312 nan 8.250 nan 0.000 0.475 339 T N 1.892 116.475 114.554 0.047 0.000 2.853 339 T HA 0.022 4.372 4.350 -0.000 0.000 0.298 339 T C 0.768 175.504 174.700 0.059 0.000 0.978 339 T CA 0.299 62.429 62.100 0.050 0.000 1.152 339 T CB 1.014 69.919 68.868 0.061 0.000 0.914 339 T HN 0.191 nan 8.240 nan 0.000 0.539 340 E N 1.640 121.875 120.200 0.058 0.000 2.290 340 E HA 0.057 4.407 4.350 -0.000 0.000 0.197 340 E C 0.772 177.415 176.600 0.073 0.000 0.948 340 E CA 0.160 56.606 56.400 0.076 0.000 0.895 340 E CB 0.605 30.352 29.700 0.078 0.000 0.865 340 E HN 0.557 nan 8.360 nan 0.000 0.486 341 Q N 0.331 120.172 119.800 0.068 0.000 2.304 341 Q HA 0.434 4.774 4.340 -0.000 0.000 0.270 341 Q C -0.611 175.458 176.000 0.114 0.000 1.035 341 Q CA -0.594 55.250 55.803 0.069 0.000 0.781 341 Q CB 1.831 30.614 28.738 0.074 0.000 1.261 341 Q HN 0.134 nan 8.270 nan 0.000 0.444 342 G N 3.090 111.920 108.800 0.051 0.000 2.606 342 G HA2 0.601 4.560 3.960 -0.000 0.000 0.262 342 G HA3 0.601 4.560 3.960 -0.000 0.000 0.262 342 G C -2.535 172.276 174.900 -0.148 0.000 1.394 342 G CA -0.974 44.154 45.100 0.048 0.000 1.044 342 G HN 0.555 nan 8.290 nan 0.000 0.553 343 P HA 0.222 nan 4.420 nan 0.000 0.279 343 P C -0.901 176.211 177.300 -0.313 0.000 1.276 343 P CA -0.399 62.208 63.100 -0.822 0.000 0.801 343 P CB 1.034 31.994 31.700 -1.234 0.000 1.127 344 Q N -0.086 119.615 119.800 -0.165 0.000 2.312 344 Q HA 0.076 4.416 4.340 -0.000 0.000 0.236 344 Q C 1.400 177.316 176.000 -0.139 0.000 0.965 344 Q CA -0.470 55.290 55.803 -0.071 0.000 0.894 344 Q CB 0.567 29.335 28.738 0.049 0.000 1.225 344 Q HN 0.212 nan 8.270 nan 0.000 0.478 345 V N 0.855 120.627 119.914 -0.236 0.000 2.278 345 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 345 V C 0.485 176.367 176.094 -0.354 0.000 1.062 345 V CA 2.907 64.988 62.300 -0.366 0.000 1.038 345 V CB -0.049 31.273 31.823 -0.835 0.000 0.646 345 V HN 1.021 nan 8.190 nan 0.000 0.447 346 D N -3.434 116.668 120.400 -0.496 0.000 2.759 346 D HA 0.129 4.769 4.640 -0.000 0.000 0.321 346 D C 0.742 176.424 176.300 -1.030 0.000 1.267 346 D CA 0.004 53.598 54.000 -0.676 0.000 0.933 346 D CB 0.796 41.318 40.800 -0.463 0.000 1.431 346 D HN 0.085 nan 8.370 nan 0.000 0.504 347 E N -0.446 119.044 120.200 -1.183 0.000 2.051 347 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 347 E C 1.252 177.699 176.600 -0.255 0.000 0.991 347 E CA 1.974 57.905 56.400 -0.781 0.000 0.799 347 E CB -0.121 29.348 29.700 -0.385 0.000 0.748 347 E HN 0.532 nan 8.360 nan 0.000 0.449 348 T N 1.285 115.700 114.554 -0.230 0.000 2.665 348 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 348 T C 1.836 176.491 174.700 -0.076 0.000 1.035 348 T CA 1.365 63.392 62.100 -0.121 0.000 1.151 348 T CB -0.195 68.601 68.868 -0.121 0.000 0.862 348 T HN 0.180 nan 8.240 nan 0.000 0.438 349 Q N -0.161 119.565 119.800 -0.122 0.000 2.119 349 Q HA 0.008 4.348 4.340 -0.000 0.000 0.201 349 Q C 2.086 178.121 176.000 0.058 0.000 0.972 349 Q CA 0.902 56.690 55.803 -0.026 0.000 0.847 349 Q CB -0.561 28.120 28.738 -0.096 0.000 0.903 349 Q HN 0.545 nan 8.270 nan 0.000 0.433 350 F N 2.340 122.196 119.950 -0.157 0.000 2.091 350 F HA -0.250 4.277 4.527 -0.000 0.000 0.299 350 F C 1.968 177.763 175.800 -0.009 0.000 1.103 350 F CA 1.546 59.502 58.000 -0.073 0.000 1.228 350 F CB -0.014 38.913 39.000 -0.122 0.000 0.984 350 F HN -0.058 nan 8.300 nan 0.000 0.477 351 K N 0.413 120.795 120.400 -0.030 0.000 2.001 351 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 351 K C 2.166 178.712 176.600 -0.089 0.000 1.048 351 K CA 1.476 57.695 56.287 -0.113 0.000 0.932 351 K CB -0.693 31.791 32.500 -0.027 0.000 0.715 351 K HN 0.270 nan 8.250 nan 0.000 0.437 352 K N 1.121 121.508 120.400 -0.022 0.000 2.089 352 K HA -0.137 4.183 4.320 -0.000 0.000 0.210 352 K C 2.177 178.845 176.600 0.113 0.000 1.048 352 K CA 1.267 57.566 56.287 0.020 0.000 0.926 352 K CB -0.110 32.451 32.500 0.101 0.000 0.714 352 K HN 0.065 nan 8.250 nan 0.000 0.448 353 I N 0.594 121.238 120.570 0.123 0.000 2.233 353 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 353 I C 2.103 178.273 176.117 0.088 0.000 1.093 353 I CA 0.935 62.339 61.300 0.173 0.000 1.380 353 I CB -0.200 37.868 38.000 0.113 0.000 1.067 353 I HN 0.154 nan 8.210 nan 0.000 0.413 354 L N 0.591 121.769 121.223 -0.074 0.000 2.127 354 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 354 L C 2.641 179.489 176.870 -0.037 0.000 1.089 354 L CA 1.499 56.278 54.840 -0.102 0.000 0.757 354 L CB -1.087 40.818 42.059 -0.257 0.000 0.899 354 L HN 0.343 nan 8.230 nan 0.000 0.434 355 G N -1.154 107.606 108.800 -0.066 0.000 2.402 355 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 355 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 355 G C 1.370 176.209 174.900 -0.101 0.000 1.162 355 G CA 0.470 45.500 45.100 -0.117 0.000 0.777 355 G HN 0.291 nan 8.290 nan 0.000 0.539 356 Y N 0.567 120.875 120.300 0.014 0.000 2.224 356 Y HA -0.014 4.536 4.550 -0.000 0.000 0.289 356 Y C 2.760 178.690 175.900 0.051 0.000 1.146 356 Y CA 0.681 58.797 58.100 0.026 0.000 1.182 356 Y CB -0.049 38.439 38.460 0.046 0.000 0.983 356 Y HN 0.124 nan 8.280 nan 0.000 0.524 357 I N -0.189 120.536 120.570 0.259 0.000 2.179 357 I HA -0.341 3.829 4.170 -0.000 0.000 0.242 357 I C 1.980 178.240 176.117 0.238 0.000 1.088 357 I CA 1.235 62.731 61.300 0.326 0.000 1.357 357 I CB -0.438 37.704 38.000 0.236 0.000 1.051 357 I HN 0.248 nan 8.210 nan 0.000 0.409 358 N N 0.568 119.338 118.700 0.116 0.000 2.084 358 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 358 N C 1.853 177.380 175.510 0.027 0.000 1.030 358 N CA 1.823 54.912 53.050 0.064 0.000 0.849 358 N CB -0.595 37.900 38.487 0.014 0.000 1.012 358 N HN 0.254 nan 8.380 nan 0.000 0.423 359 T N -0.377 114.178 114.554 0.002 0.000 2.803 359 T HA -0.090 4.260 4.350 -0.000 0.000 0.269 359 T C 1.776 176.433 174.700 -0.072 0.000 1.052 359 T CA 1.356 63.441 62.100 -0.026 0.000 1.136 359 T CB -0.638 68.221 68.868 -0.017 0.000 0.864 359 T HN 0.415 nan 8.240 nan 0.000 0.467 360 G N 1.519 110.235 108.800 -0.140 0.000 2.404 360 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.215 360 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.215 360 G C 1.605 176.302 174.900 -0.339 0.000 1.174 360 G CA 0.485 45.300 45.100 -0.475 0.000 0.780 360 G HN 0.421 nan 8.290 nan 0.000 0.537 361 K N -0.118 120.241 120.400 -0.068 0.000 2.057 361 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 361 K C 2.595 179.202 176.600 0.010 0.000 1.049 361 K CA 1.240 57.566 56.287 0.064 0.000 0.931 361 K CB -0.174 32.410 32.500 0.139 0.000 0.714 361 K HN 0.303 nan 8.250 nan 0.000 0.440 362 Q N 0.981 120.776 119.800 -0.008 0.000 2.124 362 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 362 Q C 1.285 177.271 176.000 -0.023 0.000 0.977 362 Q CA 1.431 57.227 55.803 -0.011 0.000 0.850 362 Q CB 0.213 28.943 28.738 -0.014 0.000 0.901 362 Q HN 0.326 nan 8.270 nan 0.000 0.429 363 E N -1.808 118.363 120.200 -0.049 0.000 2.481 363 E HA 0.023 4.373 4.350 -0.000 0.000 0.195 363 E C 0.781 177.357 176.600 -0.040 0.000 1.047 363 E CA 0.403 56.774 56.400 -0.048 0.000 0.867 363 E CB 0.461 30.121 29.700 -0.067 0.000 0.858 363 E HN 0.541 nan 8.360 nan 0.000 0.513 364 G N 0.953 109.734 108.800 -0.033 0.000 2.184 364 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.206 364 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.206 364 G C 0.367 175.266 174.900 -0.001 0.000 0.995 364 G CA -0.161 44.934 45.100 -0.008 0.000 0.651 364 G HN 0.433 nan 8.290 nan 0.000 0.511 365 A N 0.508 123.296 122.820 -0.053 0.000 2.477 365 A HA 0.554 4.874 4.320 -0.000 0.000 0.246 365 A C 0.663 178.337 177.584 0.151 0.000 1.078 365 A CA 0.588 52.609 52.037 -0.026 0.000 0.770 365 A CB 0.368 19.188 19.000 -0.300 0.000 1.011 365 A HN 0.447 nan 8.150 nan 0.000 0.494 366 K N 2.745 123.276 120.400 0.218 0.000 2.292 366 K HA 0.216 4.536 4.320 -0.000 0.000 0.290 366 K C -0.747 176.047 176.600 0.323 0.000 1.083 366 K CA -0.459 55.967 56.287 0.233 0.000 0.918 366 K CB 0.126 32.723 32.500 0.162 0.000 1.089 366 K HN 0.595 nan 8.250 nan 0.000 0.473 367 L N 6.619 128.017 121.223 0.291 0.000 2.456 367 L HA 0.056 4.395 4.340 -0.000 0.000 0.277 367 L C 0.461 177.323 176.870 -0.014 0.000 1.124 367 L CA 0.554 55.431 54.840 0.061 0.000 0.880 367 L CB 0.333 42.429 42.059 0.061 0.000 1.192 367 L HN 0.762 nan 8.230 nan 0.000 0.463 368 L N 4.784 125.965 121.223 -0.070 0.000 2.375 368 L HA 0.174 4.514 4.340 -0.000 0.000 0.215 368 L C 0.512 177.343 176.870 -0.064 0.000 1.108 368 L CA 0.244 55.062 54.840 -0.038 0.000 0.830 368 L CB -0.195 41.855 42.059 -0.014 0.000 0.959 368 L HN 0.838 nan 8.230 nan 0.000 0.457 369 C N -3.368 115.864 119.300 -0.113 0.000 3.275 369 C HA 0.700 5.160 4.460 -0.000 0.000 0.345 369 C C 0.653 175.574 174.990 -0.114 0.000 1.257 369 C CA -0.730 58.233 59.018 -0.091 0.000 1.203 369 C CB 0.763 28.460 27.740 -0.071 0.000 1.492 369 C HN 0.622 nan 8.230 nan 0.000 0.484 370 G N 1.027 109.783 108.800 -0.073 0.000 2.566 370 G HA2 0.357 4.317 3.960 -0.000 0.000 0.280 370 G HA3 0.357 4.317 3.960 -0.000 0.000 0.280 370 G C 1.344 176.205 174.900 -0.066 0.000 1.225 370 G CA 2.348 47.415 45.100 -0.054 0.000 0.966 370 G HN 3.356 nan 8.290 nan 0.000 0.560 371 G N -2.148 106.620 108.800 -0.054 0.000 2.179 371 G HA2 0.446 4.406 3.960 -0.000 0.000 0.220 371 G HA3 0.446 4.406 3.960 -0.000 0.000 0.220 371 G C 1.372 176.278 174.900 0.010 0.000 0.990 371 G CA 0.958 46.038 45.100 -0.035 0.000 0.646 371 G HN 2.564 nan 8.290 nan 0.000 0.517 372 G N -0.986 107.824 108.800 0.017 0.000 2.866 372 G HA2 0.677 4.637 3.960 -0.000 0.000 0.289 372 G HA3 0.677 4.637 3.960 -0.000 0.000 0.289 372 G C -0.255 174.681 174.900 0.060 0.000 1.396 372 G CA -0.839 44.277 45.100 0.027 0.000 0.848 372 G HN 0.614 nan 8.290 nan 0.000 0.515 373 I N 1.137 121.760 120.570 0.088 0.000 2.648 373 I HA 0.214 4.384 4.170 -0.000 0.000 0.284 373 I C 1.451 177.663 176.117 0.157 0.000 1.153 373 I CA 0.019 61.433 61.300 0.190 0.000 1.426 373 I CB 1.632 39.784 38.000 0.254 0.000 1.381 373 I HN 0.553 nan 8.210 nan 0.000 0.571 374 A N 5.185 128.125 122.820 0.201 0.000 2.267 374 A HA 0.656 4.976 4.320 -0.000 0.000 0.213 374 A C 0.720 178.324 177.584 0.034 0.000 1.192 374 A CA 0.602 52.707 52.037 0.113 0.000 0.851 374 A CB 0.086 19.168 19.000 0.137 0.000 0.881 374 A HN 0.839 nan 8.150 nan 0.000 0.494 375 A N -0.402 122.464 122.820 0.077 0.000 2.599 375 A HA 0.483 4.803 4.320 -0.000 0.000 0.294 375 A C -0.051 177.561 177.584 0.047 0.000 1.055 375 A CA 0.101 52.124 52.037 -0.023 0.000 0.683 375 A CB 0.266 19.121 19.000 -0.242 0.000 1.278 375 A HN 0.138 nan 8.150 nan 0.000 0.412 376 D N 0.414 120.815 120.400 0.003 0.000 2.224 376 D HA -0.049 4.591 4.640 -0.000 0.000 0.205 376 D C 0.652 176.945 176.300 -0.012 0.000 0.965 376 D CA 0.707 54.716 54.000 0.016 0.000 0.852 376 D CB 0.425 41.226 40.800 0.002 0.000 0.947 376 D HN 0.439 nan 8.370 nan 0.000 0.494 377 R N 0.274 120.754 120.500 -0.033 0.000 2.393 377 R HA 0.477 4.817 4.340 -0.000 0.000 0.310 377 R C 0.180 176.479 176.300 -0.003 0.000 0.968 377 R CA 0.322 56.387 56.100 -0.059 0.000 0.867 377 R CB 1.676 31.941 30.300 -0.058 0.000 1.124 377 R HN 0.195 nan 8.270 nan 0.000 0.450 378 G N 1.887 110.548 108.800 -0.232 0.000 2.756 378 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.678 378 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.678 378 G C -0.895 173.609 174.900 -0.659 0.000 1.349 378 G CA -0.674 44.162 45.100 -0.440 0.000 0.847 378 G HN 0.681 nan 8.290 nan 0.000 0.548 379 Y N -0.105 119.860 120.300 -0.559 0.000 2.880 379 Y HA 0.517 5.067 4.550 -0.000 0.000 0.386 379 Y C 0.714 176.368 175.900 -0.410 0.000 1.172 379 Y CA -0.749 56.842 58.100 -0.849 0.000 1.770 379 Y CB -0.082 37.970 38.460 -0.680 0.000 1.809 379 Y HN 0.332 nan 8.280 nan 0.000 0.472 380 F N 1.540 121.499 119.950 0.015 0.000 2.396 380 F HA 0.478 5.005 4.527 -0.000 0.000 0.343 380 F C 0.254 176.240 175.800 0.310 0.000 1.104 380 F CA -0.820 57.267 58.000 0.145 0.000 1.161 380 F CB 0.722 39.751 39.000 0.049 0.000 1.146 380 F HN 0.028 nan 8.300 nan 0.000 0.522 381 I N 2.404 123.212 120.570 0.398 0.000 2.608 381 I HA 0.252 4.422 4.170 -0.000 0.000 0.295 381 I C -0.636 175.601 176.117 0.199 0.000 1.049 381 I CA -1.046 60.424 61.300 0.283 0.000 1.063 381 I CB 2.120 40.249 38.000 0.216 0.000 1.248 381 I HN 0.529 nan 8.210 nan 0.000 0.424 382 Q N 5.551 125.433 119.800 0.137 0.000 2.352 382 Q HA 0.216 4.556 4.340 -0.000 0.000 0.260 382 Q C -2.339 173.711 176.000 0.084 0.000 0.976 382 Q CA -1.573 54.280 55.803 0.084 0.000 0.881 382 Q CB 0.111 28.874 28.738 0.043 0.000 1.235 382 Q HN 0.257 nan 8.270 nan 0.000 0.419 383 P HA -0.017 nan 4.420 nan 0.000 0.264 383 P C -1.088 176.275 177.300 0.105 0.000 1.229 383 P CA 0.439 63.584 63.100 0.074 0.000 0.780 383 P CB 0.493 32.039 31.700 -0.257 0.000 0.808 384 T N 3.031 117.700 114.554 0.191 0.000 2.867 384 T HA 0.475 4.825 4.350 -0.000 0.000 0.282 384 T C -0.161 174.545 174.700 0.010 0.000 1.000 384 T CA -0.395 61.704 62.100 -0.002 0.000 1.042 384 T CB 0.921 69.727 68.868 -0.104 0.000 0.973 384 T HN -0.047 nan 8.240 nan 0.000 0.465 385 V N 3.498 123.317 119.914 -0.158 0.000 2.577 385 V HA 0.514 4.634 4.120 -0.000 0.000 0.303 385 V C -1.078 174.873 176.094 -0.238 0.000 1.042 385 V CA -0.931 61.317 62.300 -0.085 0.000 0.872 385 V CB 1.450 33.288 31.823 0.025 0.000 0.998 385 V HN 0.843 nan 8.190 nan 0.000 0.423 386 F N 2.230 122.211 119.950 0.051 0.000 2.444 386 F HA 0.764 5.291 4.527 -0.000 0.000 0.342 386 F C 0.924 176.758 175.800 0.057 0.000 1.121 386 F CA -0.395 57.633 58.000 0.047 0.000 0.997 386 F CB 2.137 41.158 39.000 0.034 0.000 1.130 386 F HN 0.617 nan 8.300 nan 0.000 0.454 387 G N 0.802 109.774 108.800 0.287 0.000 2.491 387 G HA2 0.323 4.283 3.960 -0.000 0.000 0.327 387 G HA3 0.323 4.283 3.960 -0.000 0.000 0.327 387 G C -0.495 174.554 174.900 0.247 0.000 1.189 387 G CA -0.620 44.631 45.100 0.251 0.000 0.956 387 G HN 0.749 nan 8.290 nan 0.000 0.491 388 D N -1.059 119.518 120.400 0.294 0.000 2.701 388 D HA -0.166 4.474 4.640 -0.000 0.000 0.235 388 D C 0.632 176.986 176.300 0.091 0.000 1.155 388 D CA 0.640 54.735 54.000 0.157 0.000 0.649 388 D CB -1.171 39.689 40.800 0.101 0.000 1.050 388 D HN 0.176 nan 8.370 nan 0.000 0.425 389 V N 0.679 120.644 119.914 0.085 0.000 2.811 389 V HA 0.038 4.158 4.120 -0.000 0.000 0.302 389 V C 0.888 176.981 176.094 -0.002 0.000 1.063 389 V CA 0.127 62.437 62.300 0.016 0.000 1.088 389 V CB 1.696 33.512 31.823 -0.011 0.000 0.982 389 V HN 0.066 nan 8.190 nan 0.000 0.485 390 Q N 1.746 121.540 119.800 -0.009 0.000 2.306 390 Q HA 0.321 4.661 4.340 -0.000 0.000 0.265 390 Q C 0.370 176.378 176.000 0.013 0.000 1.022 390 Q CA -0.741 55.068 55.803 0.010 0.000 0.853 390 Q CB 1.628 30.373 28.738 0.011 0.000 1.327 390 Q HN 0.679 nan 8.270 nan 0.000 0.449 391 D N 1.307 121.735 120.400 0.047 0.000 2.182 391 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 391 D C 1.525 177.851 176.300 0.043 0.000 0.986 391 D CA 1.631 55.671 54.000 0.066 0.000 0.847 391 D CB -0.058 40.805 40.800 0.105 0.000 0.942 391 D HN 0.828 nan 8.370 nan 0.000 0.467 392 G N -0.071 108.747 108.800 0.030 0.000 2.572 392 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.216 392 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.216 392 G C 0.816 175.723 174.900 0.011 0.000 1.133 392 G CA -0.125 44.987 45.100 0.021 0.000 0.791 392 G HN 0.174 nan 8.290 nan 0.000 0.538 393 M N 0.637 120.236 119.600 -0.001 0.000 2.250 393 M HA 0.119 4.599 4.480 -0.000 0.000 0.325 393 M C 1.821 178.121 176.300 -0.001 0.000 1.084 393 M CA -0.010 55.280 55.300 -0.017 0.000 1.161 393 M CB 0.748 33.317 32.600 -0.052 0.000 1.481 393 M HN -0.082 nan 8.290 nan 0.000 0.449 394 T N 2.141 116.700 114.554 0.009 0.000 2.746 394 T HA -0.097 4.252 4.350 -0.000 0.000 0.267 394 T C 1.532 176.268 174.700 0.061 0.000 1.039 394 T CA 1.633 63.769 62.100 0.060 0.000 1.142 394 T CB -0.412 68.513 68.868 0.096 0.000 0.866 394 T HN 0.770 nan 8.240 nan 0.000 0.444 395 I N -0.433 120.142 120.570 0.008 0.000 3.083 395 I HA 0.191 4.361 4.170 -0.000 0.000 0.273 395 I C 1.969 178.053 176.117 -0.054 0.000 1.297 395 I CA 0.756 62.031 61.300 -0.042 0.000 1.452 395 I CB -0.339 37.592 38.000 -0.116 0.000 1.078 395 I HN 0.079 nan 8.210 nan 0.000 0.484 396 A N 0.531 123.334 122.820 -0.029 0.000 2.390 396 A HA 0.281 4.601 4.320 -0.000 0.000 0.232 396 A C 2.006 179.608 177.584 0.030 0.000 1.233 396 A CA -0.199 51.827 52.037 -0.018 0.000 0.907 396 A CB 0.054 19.038 19.000 -0.027 0.000 0.967 396 A HN 0.342 nan 8.150 nan 0.000 0.512 397 K N -0.144 120.282 120.400 0.043 0.000 2.380 397 K HA 0.164 4.484 4.320 -0.000 0.000 0.200 397 K C -0.243 176.431 176.600 0.123 0.000 1.201 397 K CA 0.283 56.619 56.287 0.081 0.000 0.916 397 K CB 0.700 33.238 32.500 0.063 0.000 1.187 397 K HN 0.434 nan 8.250 nan 0.000 0.498 398 E N 2.167 122.417 120.200 0.083 0.000 2.216 398 E HA 0.083 4.433 4.350 -0.000 0.000 0.279 398 E C -0.829 175.718 176.600 -0.087 0.000 0.997 398 E CA -0.241 56.208 56.400 0.081 0.000 0.817 398 E CB 1.660 31.459 29.700 0.165 0.000 1.096 398 E HN 0.080 nan 8.360 nan 0.000 0.393 399 E N 3.696 123.889 120.200 -0.011 0.000 2.292 399 E HA -0.023 4.327 4.350 -0.000 0.000 0.265 399 E C 0.383 176.859 176.600 -0.206 0.000 1.093 399 E CA -0.033 56.318 56.400 -0.082 0.000 0.922 399 E CB 0.349 30.014 29.700 -0.058 0.000 1.001 399 E HN 0.545 nan 8.360 nan 0.000 0.444 400 I N 4.404 124.805 120.570 -0.281 0.000 2.333 400 I HA -0.102 4.068 4.170 -0.000 0.000 0.246 400 I C 0.587 176.764 176.117 0.100 0.000 1.106 400 I CA 0.190 61.289 61.300 -0.336 0.000 1.411 400 I CB -0.032 37.797 38.000 -0.284 0.000 1.082 400 I HN 0.680 nan 8.210 nan 0.000 0.420 401 F N 1.542 121.442 119.950 -0.084 0.000 3.071 401 F HA -0.157 4.370 4.527 -0.000 0.000 0.295 401 F C 0.393 176.215 175.800 0.036 0.000 0.919 401 F CA 0.610 58.610 58.000 0.001 0.000 1.050 401 F CB -1.319 37.730 39.000 0.082 0.000 1.040 401 F HN 0.168 nan 8.300 nan 0.000 0.692 402 G N -0.421 108.391 108.800 0.021 0.000 2.682 402 G HA2 0.623 4.583 3.960 -0.000 0.000 0.290 402 G HA3 0.623 4.583 3.960 -0.000 0.000 0.290 402 G C -2.907 171.964 174.900 -0.049 0.000 1.425 402 G CA -0.731 44.381 45.100 0.021 0.000 0.807 402 G HN -0.148 nan 8.290 nan 0.000 0.482 403 P HA 0.190 nan 4.420 nan 0.000 0.238 403 P C -0.464 176.875 177.300 0.066 0.000 1.714 403 P CA 0.054 63.210 63.100 0.094 0.000 0.908 403 P CB 0.007 31.894 31.700 0.311 0.000 1.893 404 V N 2.322 122.170 119.914 -0.110 0.000 2.376 404 V HA 0.335 4.455 4.120 -0.000 0.000 0.287 404 V C 0.353 176.358 176.094 -0.148 0.000 1.015 404 V CA -0.689 61.591 62.300 -0.034 0.000 0.834 404 V CB 1.845 33.729 31.823 0.100 0.000 1.001 404 V HN 0.249 nan 8.190 nan 0.000 0.428 405 M N 4.260 123.771 119.600 -0.148 0.000 2.188 405 M HA 0.546 5.026 4.480 -0.000 0.000 0.357 405 M C -0.757 175.567 176.300 0.040 0.000 1.204 405 M CA -0.280 54.932 55.300 -0.146 0.000 1.095 405 M CB 1.263 33.788 32.600 -0.126 0.000 1.604 405 M HN 0.624 nan 8.290 nan 0.000 0.464 406 Q N 5.247 125.052 119.800 0.008 0.000 2.348 406 Q HA 0.555 4.895 4.340 -0.000 0.000 0.265 406 Q C -1.280 174.715 176.000 -0.007 0.000 0.998 406 Q CA 0.041 55.871 55.803 0.046 0.000 0.831 406 Q CB 1.723 30.451 28.738 -0.017 0.000 1.251 406 Q HN 0.705 nan 8.270 nan 0.000 0.456 407 I N 4.152 124.753 120.570 0.052 0.000 2.330 407 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 407 I C -0.898 175.273 176.117 0.091 0.000 1.001 407 I CA -0.805 60.522 61.300 0.046 0.000 1.193 407 I CB 0.712 38.757 38.000 0.076 0.000 1.345 407 I HN 0.325 nan 8.210 nan 0.000 0.461 408 L N 6.674 127.879 121.223 -0.030 0.000 2.334 408 L HA 0.530 4.869 4.340 -0.000 0.000 0.272 408 L C -0.018 176.998 176.870 0.243 0.000 1.020 408 L CA -0.445 54.393 54.840 -0.004 0.000 0.812 408 L CB 1.248 43.072 42.059 -0.390 0.000 1.264 408 L HN 0.459 nan 8.230 nan 0.000 0.439 409 K N 1.712 122.254 120.400 0.236 0.000 2.156 409 K HA 0.715 5.035 4.320 -0.000 0.000 0.254 409 K C -1.441 175.362 176.600 0.339 0.000 0.950 409 K CA -0.478 55.944 56.287 0.224 0.000 0.849 409 K CB 1.407 33.774 32.500 -0.221 0.000 1.100 409 K HN 0.535 nan 8.250 nan 0.000 0.434 410 F N 0.689 120.721 119.950 0.136 0.000 2.685 410 F HA 0.457 4.984 4.527 -0.000 0.000 0.315 410 F C 0.098 175.941 175.800 0.072 0.000 1.126 410 F CA -0.920 57.154 58.000 0.123 0.000 0.950 410 F CB 1.641 40.745 39.000 0.174 0.000 1.360 410 F HN 0.535 nan 8.300 nan 0.000 0.469 411 K N -0.039 120.403 120.400 0.070 0.000 2.313 411 K HA 0.225 4.545 4.320 -0.000 0.000 0.215 411 K C 0.244 176.852 176.600 0.013 0.000 1.109 411 K CA 0.956 57.202 56.287 -0.068 0.000 0.895 411 K CB 0.309 32.812 32.500 0.005 0.000 1.234 411 K HN 0.892 nan 8.250 nan 0.000 0.463 412 T N -1.674 112.997 114.554 0.195 0.000 2.944 412 T HA 0.259 4.609 4.350 -0.000 0.000 0.284 412 T C 1.192 176.089 174.700 0.328 0.000 1.010 412 T CA -0.804 61.414 62.100 0.197 0.000 1.025 412 T CB 1.467 70.402 68.868 0.112 0.000 1.079 412 T HN 0.212 nan 8.240 nan 0.000 0.516 413 I N 0.230 120.939 120.570 0.232 0.000 2.439 413 I HA -0.067 4.103 4.170 -0.000 0.000 0.251 413 I C 2.078 178.302 176.117 0.178 0.000 1.139 413 I CA 1.338 62.771 61.300 0.222 0.000 1.438 413 I CB -0.031 38.065 38.000 0.160 0.000 1.085 413 I HN 0.736 nan 8.210 nan 0.000 0.427 414 E N 0.637 120.925 120.200 0.146 0.000 2.150 414 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 414 E C 1.932 178.577 176.600 0.075 0.000 0.985 414 E CA 1.109 57.594 56.400 0.141 0.000 0.814 414 E CB -0.177 29.581 29.700 0.096 0.000 0.752 414 E HN 0.519 nan 8.360 nan 0.000 0.466 415 E N 0.459 120.706 120.200 0.079 0.000 2.028 415 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 415 E C 2.106 178.673 176.600 -0.055 0.000 0.988 415 E CA 1.128 57.559 56.400 0.052 0.000 0.799 415 E CB -0.069 29.708 29.700 0.128 0.000 0.755 415 E HN 0.157 nan 8.360 nan 0.000 0.447 416 V N 0.616 120.440 119.914 -0.150 0.000 2.392 416 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 416 V C 2.382 178.195 176.094 -0.469 0.000 1.059 416 V CA 1.517 63.494 62.300 -0.540 0.000 1.051 416 V CB -0.075 31.091 31.823 -1.095 0.000 0.658 416 V HN 0.219 nan 8.190 nan 0.000 0.455 417 V N 0.643 120.410 119.914 -0.247 0.000 2.255 417 V HA -0.212 3.907 4.120 -0.000 0.000 0.247 417 V C 2.683 178.666 176.094 -0.184 0.000 1.051 417 V CA 2.355 64.534 62.300 -0.202 0.000 1.018 417 V CB -1.524 30.232 31.823 -0.113 0.000 0.641 417 V HN 0.631 nan 8.190 nan 0.000 0.445 418 G N -0.566 108.160 108.800 -0.123 0.000 2.422 418 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 418 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 418 G C 1.758 176.598 174.900 -0.100 0.000 1.146 418 G CA 0.739 45.788 45.100 -0.084 0.000 0.769 418 G HN 0.457 nan 8.290 nan 0.000 0.547 419 R N 0.342 120.747 120.500 -0.158 0.000 2.073 419 R HA 0.150 4.490 4.340 -0.000 0.000 0.229 419 R C 3.020 179.210 176.300 -0.183 0.000 1.120 419 R CA 0.977 57.001 56.100 -0.127 0.000 0.967 419 R CB -0.306 29.934 30.300 -0.101 0.000 0.862 419 R HN 0.331 nan 8.270 nan 0.000 0.436 420 A N 1.530 124.091 122.820 -0.432 0.000 1.930 420 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 420 A C 1.634 179.151 177.584 -0.112 0.000 1.175 420 A CA 1.440 53.278 52.037 -0.331 0.000 0.627 420 A CB -0.335 18.401 19.000 -0.440 0.000 0.815 420 A HN 0.216 nan 8.150 nan 0.000 0.443 421 N N 0.294 118.924 118.700 -0.118 0.000 2.409 421 N HA -0.069 4.671 4.740 -0.000 0.000 0.179 421 N C 0.442 175.940 175.510 -0.021 0.000 1.032 421 N CA 0.496 53.509 53.050 -0.062 0.000 0.898 421 N CB -0.524 37.921 38.487 -0.071 0.000 0.971 421 N HN 0.439 nan 8.380 nan 0.000 0.441 422 N N 1.016 119.708 118.700 -0.015 0.000 2.671 422 N HA 0.055 4.795 4.740 -0.000 0.000 0.274 422 N C -1.308 174.221 175.510 0.031 0.000 1.188 422 N CA 0.179 53.233 53.050 0.008 0.000 1.065 422 N CB -0.222 38.274 38.487 0.015 0.000 1.415 422 N HN -0.089 nan 8.380 nan 0.000 0.511 423 S N 0.204 115.917 115.700 0.021 0.000 2.565 423 S HA 0.246 4.716 4.470 -0.000 0.000 0.274 423 S C 0.767 175.350 174.600 -0.028 0.000 1.144 423 S CA -0.475 57.740 58.200 0.025 0.000 0.849 423 S CB 0.220 63.480 63.200 0.100 0.000 1.103 423 S HN 0.444 nan 8.310 nan 0.000 0.455 424 T N 0.763 115.233 114.554 -0.140 0.000 3.055 424 T HA 0.198 4.548 4.350 -0.000 0.000 0.265 424 T C 0.559 175.125 174.700 -0.222 0.000 1.111 424 T CA 0.847 62.802 62.100 -0.242 0.000 1.118 424 T CB -0.457 68.165 68.868 -0.410 0.000 0.909 424 T HN 0.542 nan 8.240 nan 0.000 0.501 425 Y N 0.466 120.782 120.300 0.028 0.000 2.458 425 Y HA 0.596 5.146 4.550 -0.000 0.000 0.322 425 Y C 1.263 177.169 175.900 0.011 0.000 1.259 425 Y CA -1.060 57.055 58.100 0.026 0.000 1.302 425 Y CB 1.594 40.075 38.460 0.035 0.000 1.314 425 Y HN 0.066 nan 8.280 nan 0.000 0.509 426 G N 0.747 109.655 108.800 0.180 0.000 5.515 426 G HA2 0.084 4.044 3.960 -0.000 0.000 0.198 426 G HA3 0.084 4.044 3.960 -0.000 0.000 0.198 426 G C -0.176 174.665 174.900 -0.099 0.000 0.858 426 G CA -0.267 44.841 45.100 0.014 0.000 0.634 426 G HN 0.539 nan 8.290 nan 0.000 0.290 427 L N 0.621 121.805 121.223 -0.064 0.000 2.068 427 L HA 0.737 5.077 4.340 -0.000 0.000 0.204 427 L C 1.144 177.871 176.870 -0.239 0.000 1.076 427 L CA 2.299 57.041 54.840 -0.163 0.000 0.753 427 L CB -0.045 41.961 42.059 -0.087 0.000 0.910 427 L HN 0.462 nan 8.230 nan 0.000 0.439 428 A N -2.019 120.721 122.820 -0.133 0.000 2.583 428 A HA 0.907 5.227 4.320 -0.000 0.000 0.289 428 A C -1.416 176.107 177.584 -0.102 0.000 1.151 428 A CA -0.111 51.805 52.037 -0.203 0.000 0.695 428 A CB 1.003 19.941 19.000 -0.102 0.000 1.290 428 A HN 0.535 nan 8.150 nan 0.000 0.419 429 A N -1.232 121.509 122.820 -0.132 0.000 2.597 429 A HA 0.957 5.277 4.320 -0.000 0.000 0.292 429 A C -0.718 176.948 177.584 0.136 0.000 1.057 429 A CA 0.132 52.194 52.037 0.041 0.000 0.674 429 A CB 0.596 19.557 19.000 -0.065 0.000 1.278 429 A HN 2.656 nan 8.150 nan 0.000 0.416 430 A N -0.116 122.896 122.820 0.321 0.000 2.539 430 A HA 0.832 5.152 4.320 -0.000 0.000 0.296 430 A C -1.477 176.325 177.584 0.363 0.000 1.073 430 A CA -0.539 51.764 52.037 0.443 0.000 0.700 430 A CB 1.684 21.206 19.000 0.870 0.000 1.296 430 A HN 1.799 nan 8.150 nan 0.000 0.405 431 V N 1.149 121.249 119.914 0.309 0.000 2.623 431 V HA 0.542 4.662 4.120 -0.000 0.000 0.304 431 V C -1.657 174.578 176.094 0.235 0.000 1.054 431 V CA -0.260 62.201 62.300 0.267 0.000 0.882 431 V CB 1.532 33.429 31.823 0.124 0.000 1.002 431 V HN 0.717 nan 8.190 nan 0.000 0.424 432 F N 2.829 122.879 119.950 0.166 0.000 2.427 432 F HA 0.787 5.314 4.527 -0.000 0.000 0.348 432 F C 0.345 176.245 175.800 0.167 0.000 1.125 432 F CA -0.238 57.872 58.000 0.184 0.000 0.989 432 F CB 2.049 41.160 39.000 0.185 0.000 1.165 432 F HN 0.511 nan 8.300 nan 0.000 0.442 433 T N 2.035 116.725 114.554 0.227 0.000 2.830 433 T HA 0.308 4.658 4.350 -0.000 0.000 0.322 433 T C 0.071 174.848 174.700 0.128 0.000 1.501 433 T CA -0.645 61.563 62.100 0.180 0.000 1.036 433 T CB 1.535 70.493 68.868 0.151 0.000 1.379 433 T HN 0.646 nan 8.240 nan 0.000 0.493 434 K N 0.579 121.045 120.400 0.111 0.000 2.354 434 K HA 0.192 4.512 4.320 -0.000 0.000 0.194 434 K C -0.190 176.447 176.600 0.060 0.000 1.038 434 K CA -0.087 56.247 56.287 0.078 0.000 1.052 434 K CB 0.306 32.852 32.500 0.075 0.000 0.861 434 K HN 0.537 nan 8.250 nan 0.000 0.535 435 D N 0.993 121.434 120.400 0.068 0.000 2.312 435 D HA 0.010 4.650 4.640 -0.000 0.000 0.252 435 D C 0.901 177.233 176.300 0.053 0.000 1.150 435 D CA -0.264 53.769 54.000 0.055 0.000 0.870 435 D CB 1.031 41.865 40.800 0.056 0.000 1.153 435 D HN -0.162 nan 8.370 nan 0.000 0.457 436 L N 4.192 125.440 121.223 0.041 0.000 1.989 436 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 436 L C 1.383 178.282 176.870 0.049 0.000 1.071 436 L CA 1.894 56.757 54.840 0.038 0.000 0.749 436 L CB -0.467 41.609 42.059 0.029 0.000 0.890 436 L HN 0.552 nan 8.230 nan 0.000 0.431 437 D N -0.359 120.068 120.400 0.045 0.000 2.149 437 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 437 D C 2.123 178.476 176.300 0.087 0.000 0.990 437 D CA 1.393 55.425 54.000 0.054 0.000 0.839 437 D CB -0.018 40.797 40.800 0.025 0.000 0.948 437 D HN 0.460 nan 8.370 nan 0.000 0.460 438 K N 0.722 121.171 120.400 0.082 0.000 2.057 438 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 438 K C 2.213 178.902 176.600 0.149 0.000 1.050 438 K CA 1.014 57.375 56.287 0.123 0.000 0.935 438 K CB -0.040 32.524 32.500 0.106 0.000 0.715 438 K HN -0.001 nan 8.250 nan 0.000 0.439 439 A N 2.028 124.909 122.820 0.102 0.000 1.902 439 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 439 A C 1.834 179.457 177.584 0.065 0.000 1.181 439 A CA 1.611 53.693 52.037 0.076 0.000 0.623 439 A CB -0.451 18.580 19.000 0.051 0.000 0.818 439 A HN 0.218 nan 8.150 nan 0.000 0.443 440 N N -1.555 117.190 118.700 0.075 0.000 2.188 440 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 440 N C 1.580 177.139 175.510 0.082 0.000 1.018 440 N CA 1.565 54.652 53.050 0.062 0.000 0.858 440 N CB -0.560 37.964 38.487 0.061 0.000 0.989 440 N HN 0.658 nan 8.380 nan 0.000 0.426 441 Y N 1.622 121.923 120.300 0.001 0.000 2.145 441 Y HA -0.051 4.499 4.550 -0.000 0.000 0.286 441 Y C 2.194 178.086 175.900 -0.014 0.000 1.145 441 Y CA 1.332 59.430 58.100 -0.003 0.000 1.148 441 Y CB -0.444 38.019 38.460 0.005 0.000 0.981 441 Y HN -0.048 nan 8.280 nan 0.000 0.507 442 L N -0.376 120.853 121.223 0.010 0.000 2.027 442 L HA -0.201 4.139 4.340 -0.000 0.000 0.206 442 L C 2.749 179.539 176.870 -0.133 0.000 1.074 442 L CA 1.573 56.352 54.840 -0.102 0.000 0.745 442 L CB -0.873 41.197 42.059 0.018 0.000 0.898 442 L HN 0.365 nan 8.230 nan 0.000 0.433 443 S N -0.916 114.738 115.700 -0.077 0.000 2.419 443 S HA -0.307 4.163 4.470 -0.000 0.000 0.235 443 S C 1.867 176.395 174.600 -0.120 0.000 1.019 443 S CA 1.544 59.687 58.200 -0.094 0.000 0.982 443 S CB -0.355 62.807 63.200 -0.063 0.000 0.789 443 S HN 0.527 nan 8.310 nan 0.000 0.490 444 Q N 0.756 120.479 119.800 -0.128 0.000 2.204 444 Q HA 0.206 4.546 4.340 -0.000 0.000 0.198 444 Q C 2.238 178.135 176.000 -0.172 0.000 0.946 444 Q CA 0.808 56.535 55.803 -0.126 0.000 0.859 444 Q CB -0.375 28.303 28.738 -0.100 0.000 0.946 444 Q HN 0.684 nan 8.270 nan 0.000 0.474 445 A N 0.879 123.529 122.820 -0.283 0.000 1.929 445 A HA 0.065 4.385 4.320 -0.000 0.000 0.216 445 A C 1.002 178.459 177.584 -0.210 0.000 1.176 445 A CA 0.223 52.074 52.037 -0.310 0.000 0.628 445 A CB -0.418 18.248 19.000 -0.557 0.000 0.816 445 A HN 0.365 nan 8.150 nan 0.000 0.444 446 L N 1.014 122.115 121.223 -0.203 0.000 2.513 446 L HA 0.026 4.366 4.340 -0.000 0.000 0.272 446 L C 0.079 176.837 176.870 -0.187 0.000 1.187 446 L CA -0.076 54.655 54.840 -0.183 0.000 0.895 446 L CB 0.407 42.358 42.059 -0.180 0.000 1.147 446 L HN 0.423 nan 8.230 nan 0.000 0.483 447 Q N 3.767 123.473 119.800 -0.157 0.000 2.844 447 Q HA 0.500 4.840 4.340 -0.000 0.000 0.235 447 Q C -0.394 175.330 176.000 -0.460 0.000 1.336 447 Q CA -0.268 55.452 55.803 -0.140 0.000 1.026 447 Q CB 0.795 29.567 28.738 0.057 0.000 1.513 447 Q HN 0.687 nan 8.270 nan 0.000 0.577 448 A N -0.089 122.211 122.820 -0.868 0.000 2.515 448 A HA 0.672 4.992 4.320 -0.000 0.000 0.298 448 A C 0.872 177.755 177.584 -1.169 0.000 1.059 448 A CA -0.435 51.070 52.037 -0.887 0.000 0.698 448 A CB 1.221 19.948 19.000 -0.454 0.000 1.289 448 A HN 0.560 nan 8.150 nan 0.000 0.404 449 G N 0.090 108.379 108.800 -0.850 0.000 2.432 449 G HA2 0.260 4.220 3.960 -0.000 0.000 0.219 449 G HA3 0.260 4.220 3.960 -0.000 0.000 0.219 449 G C 0.505 175.154 174.900 -0.419 0.000 1.135 449 G CA 1.697 46.509 45.100 -0.481 0.000 0.767 449 G HN 0.847 nan 8.290 nan 0.000 0.550 450 T N -0.261 113.993 114.554 -0.500 0.000 2.928 450 T HA 0.502 4.852 4.350 -0.000 0.000 0.296 450 T C -1.133 173.131 174.700 -0.727 0.000 1.000 450 T CA -0.409 61.330 62.100 -0.603 0.000 0.989 450 T CB 2.697 71.145 68.868 -0.699 0.000 1.005 450 T HN -0.102 nan 8.240 nan 0.000 0.442 451 V N 4.008 123.553 119.914 -0.615 0.000 2.376 451 V HA 0.425 4.545 4.120 -0.000 0.000 0.287 451 V C -0.646 175.215 176.094 -0.389 0.000 1.015 451 V CA -1.007 61.030 62.300 -0.438 0.000 0.834 451 V CB 1.127 32.796 31.823 -0.256 0.000 1.001 451 V HN 0.765 nan 8.190 nan 0.000 0.428 452 W N 3.538 124.751 121.300 -0.145 0.000 2.376 452 W HA 0.628 5.288 4.660 -0.000 0.000 0.322 452 W C -0.494 175.958 176.519 -0.112 0.000 1.160 452 W CA -0.680 56.578 57.345 -0.144 0.000 1.218 452 W CB 1.834 31.182 29.460 -0.186 0.000 1.205 452 W HN 0.253 nan 8.180 nan 0.000 0.559 453 V N 4.489 124.460 119.914 0.094 0.000 2.407 453 V HA 0.131 4.251 4.120 -0.000 0.000 0.291 453 V C 0.161 176.144 176.094 -0.185 0.000 1.018 453 V CA -0.991 61.280 62.300 -0.049 0.000 0.842 453 V CB 1.043 32.855 31.823 -0.018 0.000 0.996 453 V HN 0.671 nan 8.190 nan 0.000 0.426 454 N N 2.275 120.616 118.700 -0.599 0.000 2.735 454 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 454 N C -0.247 175.079 175.510 -0.307 0.000 1.083 454 N CA 1.265 53.847 53.050 -0.779 0.000 0.703 454 N CB -1.074 37.336 38.487 -0.129 0.000 1.005 454 N HN 1.055 nan 8.380 nan 0.000 0.550 455 C N -4.161 114.920 119.300 -0.366 0.000 3.249 455 C HA 0.788 5.248 4.460 -0.000 0.000 0.350 455 C C -1.175 173.862 174.990 0.079 0.000 1.431 455 C CA -1.351 57.697 59.018 0.049 0.000 1.209 455 C CB 1.757 29.524 27.740 0.045 0.000 1.546 455 C HN 0.289 nan 8.230 nan 0.000 0.450 456 Y N -0.166 119.929 120.300 -0.341 0.000 2.592 456 Y HA 0.479 5.029 4.550 -0.000 0.000 0.334 456 Y C -0.386 174.833 175.900 -1.135 0.000 1.136 456 Y CA 0.486 58.127 58.100 -0.766 0.000 1.042 456 Y CB 1.342 39.691 38.460 -0.185 0.000 1.325 456 Y HN 1.032 nan 8.280 nan 0.000 0.457 457 D N 1.842 120.888 120.400 -2.257 0.000 2.837 457 D HA -0.134 4.506 4.640 -0.000 0.000 0.230 457 D C -0.984 174.835 176.300 -0.801 0.000 1.152 457 D CA 1.028 54.311 54.000 -1.195 0.000 0.736 457 D CB -1.045 39.552 40.800 -0.338 0.000 1.084 457 D HN 0.172 nan 8.370 nan 0.000 0.429 458 V N 1.435 120.682 119.914 -1.111 0.000 2.284 458 V HA 0.279 4.399 4.120 -0.000 0.000 0.260 458 V C 0.447 176.413 176.094 -0.213 0.000 1.084 458 V CA -0.312 61.758 62.300 -0.383 0.000 0.894 458 V CB -0.252 31.430 31.823 -0.234 0.000 1.119 458 V HN -0.004 nan 8.190 nan 0.000 0.484 459 F N 2.373 122.322 119.950 -0.001 0.000 2.420 459 F HA 0.741 5.268 4.527 -0.000 0.000 0.342 459 F C 0.929 176.702 175.800 -0.046 0.000 1.113 459 F CA -0.425 57.556 58.000 -0.032 0.000 1.059 459 F CB 1.781 40.736 39.000 -0.075 0.000 1.128 459 F HN 0.460 nan 8.300 nan 0.000 0.475 460 G N 0.657 109.498 108.800 0.068 0.000 2.452 460 G HA2 0.514 4.474 3.960 -0.000 0.000 0.324 460 G HA3 0.514 4.474 3.960 -0.000 0.000 0.324 460 G C 0.352 175.155 174.900 -0.161 0.000 1.214 460 G CA -0.473 44.608 45.100 -0.033 0.000 0.947 460 G HN 0.876 nan 8.290 nan 0.000 0.478 461 A N 1.448 124.112 122.820 -0.260 0.000 2.024 461 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 461 A C 2.202 179.186 177.584 -1.000 0.000 1.164 461 A CA 1.882 53.613 52.037 -0.510 0.000 0.643 461 A CB -0.132 18.596 19.000 -0.452 0.000 0.806 461 A HN 0.644 nan 8.150 nan 0.000 0.451 462 Q N -0.292 119.018 119.800 -0.816 0.000 2.389 462 Q HA 0.119 4.459 4.340 -0.000 0.000 0.204 462 Q C 0.096 176.020 176.000 -0.127 0.000 0.944 462 Q CA 0.586 56.051 55.803 -0.563 0.000 0.908 462 Q CB -0.416 28.217 28.738 -0.176 0.000 1.002 462 Q HN 0.396 nan 8.270 nan 0.000 0.493 463 S N 4.022 119.657 115.700 -0.108 0.000 2.480 463 S HA 0.419 4.889 4.470 -0.000 0.000 0.286 463 S C -2.411 172.198 174.600 0.014 0.000 1.180 463 S CA -1.194 57.004 58.200 -0.002 0.000 1.075 463 S CB 1.515 64.707 63.200 -0.012 0.000 0.996 463 S HN 0.166 nan 8.310 nan 0.000 0.487 464 P HA 0.219 nan 4.420 nan 0.000 0.269 464 P C -1.032 176.313 177.300 0.074 0.000 1.209 464 P CA -0.196 62.932 63.100 0.045 0.000 0.776 464 P CB 0.323 31.965 31.700 -0.096 0.000 0.876 465 F N 2.019 121.898 119.950 -0.118 0.000 2.579 465 F HA 0.655 5.182 4.527 -0.000 0.000 0.325 465 F C -0.246 175.528 175.800 -0.044 0.000 1.162 465 F CA 0.045 57.997 58.000 -0.081 0.000 0.946 465 F CB 1.737 40.722 39.000 -0.025 0.000 1.211 465 F HN 0.587 nan 8.300 nan 0.000 0.447 466 G N 2.118 110.580 108.800 -0.564 0.000 2.550 466 G HA2 0.569 4.529 3.960 -0.000 0.000 0.293 466 G HA3 0.569 4.529 3.960 -0.000 0.000 0.293 466 G C -1.542 173.130 174.900 -0.381 0.000 1.402 466 G CA -0.262 44.592 45.100 -0.409 0.000 0.784 466 G HN 0.960 nan 8.290 nan 0.000 0.482 467 G N -1.712 106.979 108.800 -0.182 0.000 2.630 467 G HA2 0.618 4.578 3.960 -0.000 0.000 0.296 467 G HA3 0.618 4.578 3.960 -0.000 0.000 0.296 467 G C -1.592 173.406 174.900 0.162 0.000 1.285 467 G CA -0.615 44.448 45.100 -0.062 0.000 0.958 467 G HN 0.382 nan 8.290 nan 0.000 0.479 468 Y N 0.460 120.702 120.300 -0.096 0.000 2.432 468 Y HA 0.456 5.006 4.550 -0.000 0.000 0.322 468 Y C 1.439 177.319 175.900 -0.034 0.000 1.246 468 Y CA -1.142 56.916 58.100 -0.070 0.000 1.268 468 Y CB 1.316 39.733 38.460 -0.072 0.000 1.276 468 Y HN 0.857 nan 8.280 nan 0.000 0.499 469 K N -0.418 120.042 120.400 0.100 0.000 1.824 469 K HA -0.326 3.994 4.320 -0.000 0.000 0.120 469 K C 0.564 177.189 176.600 0.042 0.000 1.268 469 K CA 1.969 58.283 56.287 0.045 0.000 0.420 469 K CB -1.068 31.463 32.500 0.052 0.000 0.586 469 K HN 0.649 nan 8.250 nan 0.000 0.907 470 M N 1.203 120.823 119.600 0.034 0.000 2.654 470 M HA 0.028 4.508 4.480 -0.000 0.000 0.217 470 M C 0.647 177.042 176.300 0.159 0.000 1.183 470 M CA 0.450 55.775 55.300 0.041 0.000 0.991 470 M CB 0.122 32.688 32.600 -0.056 0.000 1.749 470 M HN 0.309 nan 8.290 nan 0.000 0.475 471 S N 0.079 115.882 115.700 0.171 0.000 2.556 471 S HA 0.389 4.859 4.470 -0.000 0.000 0.216 471 S C 0.770 175.423 174.600 0.087 0.000 0.970 471 S CA 0.383 58.690 58.200 0.179 0.000 0.912 471 S CB 0.382 63.659 63.200 0.128 0.000 0.790 471 S HN 0.780 nan 8.310 nan 0.000 0.504 472 G N 1.146 109.990 108.800 0.073 0.000 2.384 472 G HA2 0.090 4.050 3.960 -0.000 0.000 0.668 472 G HA3 0.090 4.050 3.960 -0.000 0.000 0.668 472 G C -0.762 174.146 174.900 0.013 0.000 1.280 472 G CA -0.511 44.617 45.100 0.046 0.000 0.992 472 G HN 0.689 nan 8.290 nan 0.000 0.512 473 S N -0.984 114.717 115.700 0.001 0.000 2.599 473 S HA 1.040 5.510 4.470 -0.000 0.000 0.287 473 S C 0.538 175.119 174.600 -0.031 0.000 1.105 473 S CA 0.413 58.599 58.200 -0.025 0.000 0.899 473 S CB 1.647 64.830 63.200 -0.028 0.000 1.100 473 S HN 2.992 nan 8.310 nan 0.000 0.482 474 G N 1.180 109.953 108.800 -0.046 0.000 2.758 474 G HA2 0.033 3.993 3.960 -0.000 0.000 0.686 474 G HA3 0.033 3.993 3.960 -0.000 0.000 0.686 474 G C -1.140 173.733 174.900 -0.043 0.000 1.389 474 G CA -0.942 44.131 45.100 -0.045 0.000 0.845 474 G HN 0.767 nan 8.290 nan 0.000 0.572 475 R N 0.349 120.834 120.500 -0.025 0.000 2.888 475 R HA 0.695 5.035 4.340 -0.000 0.000 0.266 475 R C -0.138 176.183 176.300 0.036 0.000 1.020 475 R CA -0.751 55.339 56.100 -0.016 0.000 0.963 475 R CB 1.883 32.165 30.300 -0.029 0.000 1.197 475 R HN 0.757 nan 8.270 nan 0.000 0.481 476 E N 1.191 121.417 120.200 0.043 0.000 2.336 476 E HA 0.533 4.883 4.350 -0.000 0.000 0.267 476 E C -0.517 176.087 176.600 0.007 0.000 0.906 476 E CA -0.925 55.504 56.400 0.049 0.000 0.781 476 E CB 2.255 31.981 29.700 0.043 0.000 1.261 476 E HN 0.343 nan 8.360 nan 0.000 0.436 477 L N 0.067 121.312 121.223 0.037 0.000 0.584 477 L HA -0.258 4.082 4.340 -0.000 0.000 0.356 477 L C 0.543 177.506 176.870 0.155 0.000 0.992 477 L CA 0.863 55.726 54.840 0.038 0.000 1.223 477 L CB -1.134 40.761 42.059 -0.272 0.000 0.009 477 L HN 1.023 nan 8.230 nan 0.000 0.091 478 G N 0.593 109.456 108.800 0.105 0.000 2.752 478 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.234 478 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.234 478 G C 0.365 175.399 174.900 0.224 0.000 1.367 478 G CA 0.756 46.006 45.100 0.249 0.000 0.879 478 G HN 1.139 nan 8.290 nan 0.000 0.563 479 E N -0.957 119.271 120.200 0.047 0.000 2.268 479 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 479 E C 2.019 178.334 176.600 -0.474 0.000 0.995 479 E CA 1.607 57.707 56.400 -0.500 0.000 0.836 479 E CB -0.128 29.288 29.700 -0.474 0.000 0.763 479 E HN 0.628 nan 8.360 nan 0.000 0.491 480 Y N -0.579 119.664 120.300 -0.095 0.000 2.352 480 Y HA -0.013 4.537 4.550 -0.000 0.000 0.292 480 Y C 2.413 178.271 175.900 -0.069 0.000 1.136 480 Y CA 0.910 58.969 58.100 -0.068 0.000 1.227 480 Y CB -0.433 38.014 38.460 -0.021 0.000 0.991 480 Y HN 0.133 nan 8.280 nan 0.000 0.545 481 G N -0.094 108.775 108.800 0.115 0.000 2.471 481 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 481 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 481 G C 1.494 176.426 174.900 0.052 0.000 1.125 481 G CA 0.624 45.795 45.100 0.119 0.000 0.775 481 G HN 0.378 nan 8.290 nan 0.000 0.548 482 L N -0.402 120.716 121.223 -0.176 0.000 2.240 482 L HA 0.003 4.343 4.340 -0.000 0.000 0.211 482 L C 2.969 179.711 176.870 -0.213 0.000 1.106 482 L CA 0.489 55.122 54.840 -0.346 0.000 0.793 482 L CB -0.370 41.056 42.059 -1.054 0.000 0.927 482 L HN 0.253 nan 8.230 nan 0.000 0.446 483 Q N 0.400 120.109 119.800 -0.151 0.000 2.096 483 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 483 Q C 2.470 178.444 176.000 -0.043 0.000 0.982 483 Q CA 1.698 57.493 55.803 -0.014 0.000 0.850 483 Q CB -0.275 28.473 28.738 0.017 0.000 0.901 483 Q HN 0.560 nan 8.270 nan 0.000 0.422 484 A N 0.024 122.783 122.820 -0.100 0.000 2.019 484 A HA -0.147 4.172 4.320 -0.000 0.000 0.219 484 A C 0.952 178.290 177.584 -0.410 0.000 1.164 484 A CA 1.035 52.911 52.037 -0.268 0.000 0.644 484 A CB -0.395 18.377 19.000 -0.380 0.000 0.805 484 A HN 0.421 nan 8.150 nan 0.000 0.449 485 Y N -0.379 119.898 120.300 -0.038 0.000 2.625 485 Y HA 0.298 4.848 4.550 -0.000 0.000 0.285 485 Y C 0.414 176.326 175.900 0.019 0.000 1.168 485 Y CA 0.053 58.142 58.100 -0.019 0.000 1.250 485 Y CB 0.384 38.823 38.460 -0.035 0.000 1.130 485 Y HN 0.051 nan 8.280 nan 0.000 0.526 486 T N 0.453 115.063 114.554 0.093 0.000 2.912 486 T HA 0.387 4.737 4.350 -0.000 0.000 0.299 486 T C -0.772 173.933 174.700 0.009 0.000 1.052 486 T CA -0.914 61.243 62.100 0.095 0.000 0.996 486 T CB 1.699 70.665 68.868 0.163 0.000 1.070 486 T HN -0.039 nan 8.240 nan 0.000 0.465 487 K N 1.805 122.221 120.400 0.027 0.000 2.182 487 K HA 0.695 5.015 4.320 -0.000 0.000 0.262 487 K C -1.034 175.558 176.600 -0.012 0.000 0.957 487 K CA -0.734 55.556 56.287 0.005 0.000 0.842 487 K CB 1.824 34.351 32.500 0.046 0.000 1.099 487 K HN 0.268 nan 8.250 nan 0.000 0.438 488 V N 3.852 123.744 119.914 -0.037 0.000 2.350 488 V HA 0.241 4.361 4.120 -0.000 0.000 0.276 488 V C -0.163 175.937 176.094 0.009 0.000 1.028 488 V CA -0.658 61.634 62.300 -0.014 0.000 0.860 488 V CB 1.019 32.811 31.823 -0.052 0.000 0.990 488 V HN 0.635 nan 8.190 nan 0.000 0.453 489 K N 3.334 123.755 120.400 0.033 0.000 2.206 489 K HA 0.583 4.903 4.320 -0.000 0.000 0.264 489 K C -0.592 175.976 176.600 -0.052 0.000 0.967 489 K CA -0.324 55.959 56.287 -0.006 0.000 0.844 489 K CB 1.420 33.925 32.500 0.010 0.000 1.099 489 K HN 0.676 nan 8.250 nan 0.000 0.441 490 T N 2.882 117.370 114.554 -0.109 0.000 2.797 490 T HA 0.339 4.689 4.350 -0.000 0.000 0.279 490 T C -0.940 173.576 174.700 -0.306 0.000 0.991 490 T CA -0.617 61.365 62.100 -0.197 0.000 0.979 490 T CB 1.390 70.163 68.868 -0.157 0.000 0.943 490 T HN 0.301 nan 8.240 nan 0.000 0.444 491 V N 3.745 123.314 119.914 -0.574 0.000 2.409 491 V HA 0.464 4.584 4.120 -0.000 0.000 0.291 491 V C 0.039 175.741 176.094 -0.653 0.000 1.020 491 V CA -0.703 61.204 62.300 -0.656 0.000 0.848 491 V CB 1.796 33.039 31.823 -0.966 0.000 0.990 491 V HN 0.968 nan 8.190 nan 0.000 0.430 492 T N 4.742 119.090 114.554 -0.344 0.000 2.791 492 T HA 0.549 4.899 4.350 -0.000 0.000 0.288 492 T C -0.328 174.347 174.700 -0.042 0.000 0.999 492 T CA -0.317 61.654 62.100 -0.215 0.000 0.952 492 T CB 1.389 70.129 68.868 -0.213 0.000 0.938 492 T HN 0.328 nan 8.240 nan 0.000 0.444 493 V N 4.154 124.116 119.914 0.079 0.000 2.435 493 V HA 0.438 4.558 4.120 -0.000 0.000 0.290 493 V C 0.418 176.702 176.094 0.317 0.000 1.030 493 V CA -1.079 61.345 62.300 0.206 0.000 0.881 493 V CB 1.756 33.745 31.823 0.278 0.000 0.983 493 V HN 0.716 nan 8.190 nan 0.000 0.445 494 K N 4.112 124.667 120.400 0.260 0.000 2.322 494 K HA 0.511 4.831 4.320 -0.000 0.000 0.283 494 K C -0.565 176.049 176.600 0.023 0.000 1.042 494 K CA -0.233 56.114 56.287 0.099 0.000 0.958 494 K CB 1.195 33.731 32.500 0.059 0.000 0.984 494 K HN 0.650 nan 8.250 nan 0.000 0.473 495 V N 1.872 121.741 119.914 -0.075 0.000 2.960 495 V HA 0.414 4.534 4.120 -0.000 0.000 0.315 495 V C -2.115 173.923 176.094 -0.094 0.000 1.087 495 V CA -1.951 60.326 62.300 -0.038 0.000 0.982 495 V CB 1.230 33.059 31.823 0.011 0.000 1.039 495 V HN 0.668 nan 8.190 nan 0.000 0.437 496 P HA -0.088 nan 4.420 nan 0.000 0.213 496 P C 0.027 177.282 177.300 -0.074 0.000 1.170 496 P CA 1.381 64.444 63.100 -0.062 0.000 0.902 496 P CB 0.122 31.796 31.700 -0.043 0.000 0.789 497 Q N -1.243 118.519 119.800 -0.064 0.000 2.371 497 Q HA 0.177 4.517 4.340 -0.000 0.000 0.244 497 Q C -1.064 174.910 176.000 -0.043 0.000 0.882 497 Q CA -0.686 55.082 55.803 -0.058 0.000 0.866 497 Q CB 1.107 29.819 28.738 -0.043 0.000 1.399 497 Q HN -0.158 nan 8.270 nan 0.000 0.432 498 K N 3.552 123.929 120.400 -0.039 0.000 2.350 498 K HA 0.274 4.594 4.320 -0.000 0.000 0.279 498 K C -0.938 175.660 176.600 -0.003 0.000 1.027 498 K CA 0.140 56.422 56.287 -0.008 0.000 0.969 498 K CB 0.641 33.153 32.500 0.020 0.000 0.954 498 K HN 0.624 nan 8.250 nan 0.000 0.474 499 N N 1.391 120.090 118.700 -0.000 0.000 2.262 499 N HA 0.108 4.848 4.740 -0.000 0.000 0.295 499 N C -0.807 174.707 175.510 0.007 0.000 1.161 499 N CA -0.574 52.475 53.050 -0.001 0.000 0.767 499 N CB 1.979 40.459 38.487 -0.012 0.000 1.499 499 N HN 0.743 nan 8.380 nan 0.000 0.476 500 S N 0.000 115.705 115.700 0.009 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.208 58.200 0.014 0.000 1.107 500 S CB 0.000 63.207 63.200 0.012 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517