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 2vle_1_D DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT EVKTVTVKVP QKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.579 177.584 -0.009 0.000 1.274 7 A CA 0.000 52.053 52.037 0.027 0.000 0.836 7 A CB 0.000 19.029 19.000 0.049 0.000 0.831 8 V N 1.993 121.866 119.914 -0.067 0.000 2.384 8 V HA 0.505 4.624 4.120 -0.001 0.000 0.287 8 V C -2.024 173.956 176.094 -0.189 0.000 1.020 8 V CA -1.483 60.672 62.300 -0.240 0.000 0.850 8 V CB 1.304 33.006 31.823 -0.201 0.000 0.987 8 V HN 0.665 nan 8.190 nan 0.000 0.436 9 P HA 0.298 nan 4.420 nan 0.000 0.268 9 P C -0.197 177.107 177.300 0.006 0.000 1.205 9 P CA -0.099 62.941 63.100 -0.102 0.000 0.771 9 P CB 0.503 32.153 31.700 -0.084 0.000 0.858 10 A N 4.749 127.569 122.820 0.001 0.000 2.520 10 A HA 0.361 4.681 4.320 -0.001 0.000 0.245 10 A C -1.824 175.699 177.584 -0.102 0.000 1.072 10 A CA -0.692 51.327 52.037 -0.030 0.000 0.761 10 A CB -1.044 17.930 19.000 -0.044 0.000 1.004 10 A HN 0.431 nan 8.150 nan 0.000 0.499 11 P HA 0.166 nan 4.420 nan 0.000 0.282 11 P C -0.736 176.350 177.300 -0.357 0.000 1.249 11 P CA -0.792 61.996 63.100 -0.520 0.000 0.806 11 P CB 0.685 31.670 31.700 -1.191 0.000 0.984 12 N N 1.886 120.431 118.700 -0.258 0.000 2.405 12 N HA 0.001 4.740 4.740 -0.001 0.000 0.260 12 N C 0.664 175.877 175.510 -0.496 0.000 1.152 12 N CA 0.299 53.193 53.050 -0.260 0.000 0.948 12 N CB 0.322 38.752 38.487 -0.095 0.000 1.111 12 N HN 0.268 nan 8.380 nan 0.000 0.485 13 Q N 2.025 121.408 119.800 -0.695 0.000 2.482 13 Q HA -0.001 4.339 4.340 -0.001 0.000 0.209 13 Q C -0.284 175.291 176.000 -0.708 0.000 0.961 13 Q CA 0.703 55.738 55.803 -1.279 0.000 0.945 13 Q CB 0.271 28.367 28.738 -1.069 0.000 1.012 13 Q HN 0.615 nan 8.270 nan 0.000 0.515 14 Q N 0.898 120.473 119.800 -0.376 0.000 3.484 14 Q HA 0.211 4.550 4.340 -0.001 0.000 0.255 14 Q C -2.503 173.420 176.000 -0.129 0.000 0.909 14 Q CA -1.445 54.238 55.803 -0.200 0.000 0.774 14 Q CB 1.449 30.092 28.738 -0.159 0.000 1.431 14 Q HN 0.062 nan 8.270 nan 0.000 0.423 15 P HA -0.084 nan 4.420 nan 0.000 0.268 15 P C -0.291 176.995 177.300 -0.023 0.000 1.205 15 P CA 0.017 63.121 63.100 0.007 0.000 0.771 15 P CB 0.994 32.667 31.700 -0.045 0.000 0.858 16 E N 1.540 121.719 120.200 -0.035 0.000 2.383 16 E HA 0.189 4.538 4.350 -0.001 0.000 0.264 16 E C -0.797 175.540 176.600 -0.439 0.000 1.050 16 E CA -0.592 55.622 56.400 -0.311 0.000 0.896 16 E CB 0.672 30.069 29.700 -0.507 0.000 0.982 16 E HN 0.137 nan 8.360 nan 0.000 0.424 17 V N 5.712 125.350 119.914 -0.459 0.000 2.394 17 V HA 0.134 4.254 4.120 -0.001 0.000 0.282 17 V C 0.016 175.816 176.094 -0.490 0.000 1.031 17 V CA -0.087 62.015 62.300 -0.331 0.000 0.881 17 V CB 0.904 32.620 31.823 -0.179 0.000 0.982 17 V HN 0.707 nan 8.190 nan 0.000 0.451 18 F N 1.609 121.581 119.950 0.036 0.000 2.717 18 F HA 0.278 4.805 4.527 -0.001 0.000 0.297 18 F C 0.877 176.559 175.800 -0.196 0.000 1.113 18 F CA -0.032 57.948 58.000 -0.033 0.000 1.319 18 F CB 0.486 39.521 39.000 0.058 0.000 1.097 18 F HN 0.381 nan 8.300 nan 0.000 0.595 19 C N 1.824 121.084 119.300 -0.066 0.000 2.397 19 C HA 0.423 4.883 4.460 -0.001 0.000 0.325 19 C C 0.173 174.969 174.990 -0.324 0.000 1.201 19 C CA -0.867 57.866 59.018 -0.474 0.000 1.377 19 C CB 0.724 28.143 27.740 -0.535 0.000 2.038 19 C HN 0.533 nan 8.230 nan 0.000 0.457 20 N N 1.144 119.626 118.700 -0.364 0.000 2.261 20 N HA 0.058 4.798 4.740 -0.001 0.000 0.241 20 N C -0.480 174.993 175.510 -0.062 0.000 1.374 20 N CA -0.255 52.696 53.050 -0.164 0.000 0.802 20 N CB 0.053 38.444 38.487 -0.159 0.000 1.339 20 N HN 0.789 nan 8.380 nan 0.000 0.498 21 Q N 0.011 119.817 119.800 0.010 0.000 2.712 21 Q HA 0.579 4.919 4.340 -0.001 0.000 0.267 21 Q C -0.465 175.860 176.000 0.541 0.000 1.062 21 Q CA -0.985 54.984 55.803 0.277 0.000 0.888 21 Q CB 1.982 30.910 28.738 0.318 0.000 1.374 21 Q HN 0.132 nan 8.270 nan 0.000 0.498 22 I N 1.224 122.072 120.570 0.465 0.000 2.441 22 I HA 0.127 4.297 4.170 -0.001 0.000 0.287 22 I C -0.733 175.599 176.117 0.358 0.000 1.049 22 I CA -0.048 61.489 61.300 0.395 0.000 1.381 22 I CB 0.418 38.592 38.000 0.291 0.000 1.409 22 I HN 0.372 nan 8.210 nan 0.000 0.523 23 F N 8.382 128.340 119.950 0.014 0.000 2.332 23 F HA 0.597 5.123 4.527 -0.001 0.000 0.368 23 F C -0.536 175.144 175.800 -0.200 0.000 1.110 23 F CA -0.442 57.327 58.000 -0.385 0.000 1.087 23 F CB 0.302 38.925 39.000 -0.628 0.000 1.235 23 F HN 0.168 nan 8.300 nan 0.000 0.470 24 I N 5.511 125.761 120.570 -0.533 0.000 2.569 24 I HA 0.221 4.390 4.170 -0.001 0.000 0.290 24 I C -0.296 175.568 176.117 -0.421 0.000 1.088 24 I CA -1.067 60.042 61.300 -0.318 0.000 1.047 24 I CB 1.798 39.793 38.000 -0.009 0.000 1.237 24 I HN 0.464 nan 8.210 nan 0.000 0.421 25 N N 4.558 123.024 118.700 -0.390 0.000 2.721 25 N HA -0.248 4.492 4.740 -0.001 0.000 0.249 25 N C 0.014 175.254 175.510 -0.450 0.000 1.072 25 N CA 1.273 54.139 53.050 -0.306 0.000 0.710 25 N CB -1.122 37.281 38.487 -0.141 0.000 0.993 25 N HN 0.941 nan 8.380 nan 0.000 0.547 26 N N -1.577 116.602 118.700 -0.868 0.000 2.714 26 N HA -0.243 4.496 4.740 -0.001 0.000 0.250 26 N C -0.919 174.157 175.510 -0.725 0.000 1.117 26 N CA 1.257 53.808 53.050 -0.831 0.000 0.719 26 N CB -0.416 37.938 38.487 -0.221 0.000 1.081 26 N HN 0.618 nan 8.380 nan 0.000 0.557 27 E N -0.900 118.748 120.200 -0.920 0.000 2.336 27 E HA 0.404 4.754 4.350 -0.001 0.000 0.267 27 E C -0.963 175.062 176.600 -0.958 0.000 0.906 27 E CA -0.730 55.255 56.400 -0.692 0.000 0.781 27 E CB 1.146 30.582 29.700 -0.440 0.000 1.261 27 E HN 0.123 nan 8.360 nan 0.000 0.436 28 W N 1.463 122.506 121.300 -0.428 0.000 2.417 28 W HA 0.318 4.977 4.660 -0.001 0.000 0.317 28 W C 0.144 176.376 176.519 -0.478 0.000 1.121 28 W CA -0.296 56.871 57.345 -0.297 0.000 1.208 28 W CB 0.922 30.356 29.460 -0.042 0.000 1.253 28 W HN 0.311 nan 8.180 nan 0.000 0.533 29 H N 1.465 120.711 119.070 0.293 0.000 2.768 29 H HA 0.213 4.769 4.556 -0.001 0.000 0.371 29 H C -0.618 174.818 175.328 0.180 0.000 1.151 29 H CA -0.901 55.250 56.048 0.172 0.000 1.165 29 H CB 1.569 31.385 29.762 0.089 0.000 1.722 29 H HN 0.266 nan 8.280 nan 0.000 0.543 30 D N 0.658 121.214 120.400 0.259 0.000 2.357 30 D HA 0.272 4.912 4.640 -0.001 0.000 0.242 30 D C 0.566 176.972 176.300 0.177 0.000 1.153 30 D CA -0.298 53.814 54.000 0.186 0.000 0.918 30 D CB 1.018 41.899 40.800 0.134 0.000 1.181 30 D HN 0.621 nan 8.370 nan 0.000 0.435 31 A N 0.861 123.776 122.820 0.158 0.000 2.520 31 A HA 0.064 4.383 4.320 -0.001 0.000 0.235 31 A C 1.607 179.252 177.584 0.101 0.000 1.065 31 A CA -0.438 51.682 52.037 0.138 0.000 0.764 31 A CB 0.258 19.347 19.000 0.149 0.000 1.002 31 A HN 0.425 nan 8.150 nan 0.000 0.502 32 V N 2.221 122.182 119.914 0.078 0.000 2.380 32 V HA -0.264 3.855 4.120 -0.001 0.000 0.251 32 V C 2.740 178.868 176.094 0.057 0.000 1.063 32 V CA 2.842 65.174 62.300 0.054 0.000 1.055 32 V CB -0.822 31.024 31.823 0.039 0.000 0.657 32 V HN 1.151 nan 8.190 nan 0.000 0.455 33 S N -1.116 114.624 115.700 0.067 0.000 2.522 33 S HA -0.109 4.361 4.470 -0.001 0.000 0.227 33 S C 1.333 175.972 174.600 0.066 0.000 0.986 33 S CA 0.294 58.531 58.200 0.061 0.000 0.929 33 S CB -0.085 63.154 63.200 0.065 0.000 0.769 33 S HN 0.523 nan 8.310 nan 0.000 0.529 34 R N -0.199 120.348 120.500 0.079 0.000 3.977 34 R HA -0.124 4.216 4.340 -0.001 0.000 0.428 34 R C -0.407 175.945 176.300 0.086 0.000 1.079 34 R CA 1.386 57.533 56.100 0.078 0.000 1.269 34 R CB -2.409 27.928 30.300 0.061 0.000 1.856 34 R HN 0.594 nan 8.270 nan 0.000 0.551 35 K N 1.451 121.911 120.400 0.100 0.000 2.380 35 K HA 0.175 4.494 4.320 -0.001 0.000 0.267 35 K C 0.907 177.602 176.600 0.158 0.000 0.990 35 K CA 1.077 57.436 56.287 0.119 0.000 0.946 35 K CB 0.461 33.035 32.500 0.125 0.000 0.937 35 K HN 0.333 nan 8.250 nan 0.000 0.491 36 T N -1.076 113.576 114.554 0.163 0.000 2.883 36 T HA 0.690 5.040 4.350 -0.001 0.000 0.296 36 T C -0.880 173.982 174.700 0.270 0.000 1.117 36 T CA -1.066 61.133 62.100 0.164 0.000 1.006 36 T CB 0.815 69.706 68.868 0.039 0.000 1.191 36 T HN 0.481 nan 8.240 nan 0.000 0.508 37 F N -0.912 119.119 119.950 0.134 0.000 2.576 37 F HA 0.853 5.380 4.527 -0.000 0.000 0.313 37 F C -3.132 172.720 175.800 0.086 0.000 1.078 37 F CA -2.923 55.175 58.000 0.163 0.000 0.921 37 F CB 1.504 40.693 39.000 0.315 0.000 1.232 37 F HN 0.398 nan 8.300 nan 0.000 0.459 38 P HA 0.169 nan 4.420 nan 0.000 0.279 38 P C -0.850 176.491 177.300 0.068 0.000 1.239 38 P CA -0.086 63.026 63.100 0.020 0.000 0.789 38 P CB 1.864 33.610 31.700 0.078 0.000 0.933 39 T N 1.672 116.200 114.554 -0.044 0.000 2.823 39 T HA 0.417 4.767 4.350 -0.001 0.000 0.279 39 T C -0.568 174.132 174.700 0.001 0.000 0.998 39 T CA -0.538 61.572 62.100 0.016 0.000 0.994 39 T CB 0.481 69.339 68.868 -0.017 0.000 0.960 39 T HN 0.062 nan 8.240 nan 0.000 0.448 40 V N 5.305 125.228 119.914 0.015 0.000 2.612 40 V HA 0.430 4.549 4.120 -0.001 0.000 0.301 40 V C 0.545 176.641 176.094 0.003 0.000 1.046 40 V CA -1.084 61.225 62.300 0.016 0.000 0.946 40 V CB 1.682 33.533 31.823 0.048 0.000 1.003 40 V HN 0.957 nan 8.190 nan 0.000 0.459 41 N N 4.968 123.668 118.700 0.001 0.000 2.402 41 N HA 0.213 4.952 4.740 -0.001 0.000 0.252 41 N C -1.562 173.943 175.510 -0.009 0.000 1.118 41 N CA -1.411 51.636 53.050 -0.005 0.000 0.945 41 N CB 1.325 39.813 38.487 0.002 0.000 1.147 41 N HN 0.415 nan 8.380 nan 0.000 0.495 42 P HA -0.064 nan 4.420 nan 0.000 0.226 42 P C 0.554 177.748 177.300 -0.176 0.000 1.153 42 P CA 0.858 63.976 63.100 0.030 0.000 0.777 42 P CB 0.359 32.048 31.700 -0.018 0.000 0.794 43 S N -0.362 115.264 115.700 -0.123 0.000 2.406 43 S HA -0.054 4.416 4.470 -0.001 0.000 0.228 43 S C 1.882 176.500 174.600 0.031 0.000 1.020 43 S CA 1.892 60.078 58.200 -0.023 0.000 0.965 43 S CB -0.741 62.529 63.200 0.116 0.000 0.798 43 S HN 0.447 nan 8.310 nan 0.000 0.488 44 T N -3.178 111.344 114.554 -0.054 0.000 2.955 44 T HA 0.468 4.817 4.350 -0.001 0.000 0.251 44 T C 1.551 176.160 174.700 -0.152 0.000 1.002 44 T CA 0.838 62.896 62.100 -0.069 0.000 0.970 44 T CB 0.311 69.161 68.868 -0.031 0.000 1.091 44 T HN 0.510 nan 8.240 nan 0.000 0.495 45 G N 1.566 110.258 108.800 -0.181 0.000 2.179 45 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.260 45 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.260 45 G C -0.140 174.730 174.900 -0.050 0.000 0.977 45 G CA 0.125 45.131 45.100 -0.155 0.000 0.641 45 G HN 0.609 nan 8.290 nan 0.000 0.533 46 E N 0.163 120.337 120.200 -0.043 0.000 2.343 46 E HA 0.426 4.776 4.350 -0.001 0.000 0.269 46 E C 0.647 177.239 176.600 -0.013 0.000 1.047 46 E CA -0.592 55.792 56.400 -0.026 0.000 0.874 46 E CB 1.888 31.570 29.700 -0.029 0.000 1.033 46 E HN 0.123 nan 8.360 nan 0.000 0.409 47 V N 4.586 124.494 119.914 -0.011 0.000 2.485 47 V HA -0.046 4.074 4.120 -0.001 0.000 0.287 47 V C 1.723 177.800 176.094 -0.028 0.000 1.022 47 V CA 0.429 62.721 62.300 -0.012 0.000 1.067 47 V CB 0.017 31.834 31.823 -0.010 0.000 0.967 47 V HN 0.624 nan 8.190 nan 0.000 0.479 48 I N 4.379 124.928 120.570 -0.034 0.000 2.193 48 I HA -0.019 4.151 4.170 -0.001 0.000 0.240 48 I C 1.059 177.136 176.117 -0.067 0.000 1.084 48 I CA 1.506 62.777 61.300 -0.048 0.000 1.365 48 I CB 0.098 38.069 38.000 -0.047 0.000 1.064 48 I HN 0.878 nan 8.210 nan 0.000 0.410 49 C N -2.151 117.101 119.300 -0.081 0.000 3.249 49 C HA 0.558 5.018 4.460 -0.001 0.000 0.350 49 C C -0.850 174.058 174.990 -0.136 0.000 1.431 49 C CA -1.100 57.858 59.018 -0.101 0.000 1.209 49 C CB 1.089 28.760 27.740 -0.115 0.000 1.546 49 C HN 0.249 nan 8.230 nan 0.000 0.450 50 Q N 0.286 119.999 119.800 -0.145 0.000 2.222 50 Q HA 0.833 5.172 4.340 -0.001 0.000 0.252 50 Q C -0.892 174.941 176.000 -0.279 0.000 0.926 50 Q CA -0.293 55.397 55.803 -0.189 0.000 0.899 50 Q CB 1.681 30.356 28.738 -0.105 0.000 1.250 50 Q HN 0.818 nan 8.270 nan 0.000 0.441 51 V N 1.858 121.482 119.914 -0.484 0.000 2.841 51 V HA 0.718 4.838 4.120 -0.001 0.000 0.310 51 V C -0.748 175.152 176.094 -0.324 0.000 1.090 51 V CA -1.152 60.835 62.300 -0.522 0.000 0.930 51 V CB 1.869 33.147 31.823 -0.909 0.000 1.014 51 V HN 0.955 nan 8.190 nan 0.000 0.425 52 A N 2.566 125.363 122.820 -0.038 0.000 2.548 52 A HA 0.228 4.548 4.320 -0.001 0.000 0.247 52 A C 0.356 178.139 177.584 0.331 0.000 1.067 52 A CA 0.281 52.403 52.037 0.141 0.000 0.757 52 A CB -0.075 19.029 19.000 0.175 0.000 0.996 52 A HN 0.891 nan 8.150 nan 0.000 0.504 53 E N 3.034 123.467 120.200 0.389 0.000 1.986 53 E HA 0.370 4.720 4.350 -0.001 0.000 0.264 53 E C 0.613 177.392 176.600 0.299 0.000 1.023 53 E CA -0.323 56.372 56.400 0.492 0.000 0.834 53 E CB 0.267 30.278 29.700 0.518 0.000 1.111 53 E HN 0.813 nan 8.360 nan 0.000 0.417 54 G N 3.336 112.295 108.800 0.265 0.000 2.491 54 G HA2 0.059 4.019 3.960 -0.001 0.000 0.242 54 G HA3 0.059 4.019 3.960 -0.001 0.000 0.242 54 G C -0.293 174.702 174.900 0.159 0.000 1.266 54 G CA -0.196 45.018 45.100 0.190 0.000 0.844 54 G HN 0.573 nan 8.290 nan 0.000 0.571 55 D N -0.456 120.019 120.400 0.124 0.000 2.837 55 D HA 0.201 4.840 4.640 -0.001 0.000 0.294 55 D C 1.327 177.678 176.300 0.086 0.000 1.158 55 D CA -0.802 53.258 54.000 0.101 0.000 1.073 55 D CB 1.543 42.393 40.800 0.084 0.000 1.419 55 D HN 0.269 nan 8.370 nan 0.000 0.584 56 K N 0.271 120.713 120.400 0.072 0.000 2.059 56 K HA -0.188 4.131 4.320 -0.001 0.000 0.212 56 K C 1.552 178.196 176.600 0.073 0.000 1.050 56 K CA 1.745 58.074 56.287 0.071 0.000 0.927 56 K CB 0.048 32.577 32.500 0.048 0.000 0.714 56 K HN 0.327 nan 8.250 nan 0.000 0.447 57 E N 0.224 120.459 120.200 0.059 0.000 2.110 57 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 57 E C 1.681 178.312 176.600 0.051 0.000 0.988 57 E CA 1.296 57.726 56.400 0.050 0.000 0.804 57 E CB -0.042 29.681 29.700 0.038 0.000 0.745 57 E HN 0.478 nan 8.360 nan 0.000 0.458 58 D N 0.536 120.973 120.400 0.062 0.000 2.123 58 D HA -0.100 4.539 4.640 -0.001 0.000 0.200 58 D C 2.193 178.527 176.300 0.058 0.000 0.976 58 D CA 0.704 54.740 54.000 0.060 0.000 0.831 58 D CB -0.089 40.765 40.800 0.091 0.000 0.974 58 D HN 0.030 nan 8.370 nan 0.000 0.469 59 V N 2.086 122.045 119.914 0.074 0.000 2.332 59 V HA -0.238 3.882 4.120 -0.001 0.000 0.248 59 V C 1.995 178.122 176.094 0.055 0.000 1.055 59 V CA 1.808 64.148 62.300 0.067 0.000 1.038 59 V CB -0.436 31.445 31.823 0.095 0.000 0.651 59 V HN 0.031 nan 8.190 nan 0.000 0.450 60 D N -0.143 120.321 120.400 0.106 0.000 2.123 60 D HA -0.155 4.484 4.640 -0.001 0.000 0.196 60 D C 2.286 178.622 176.300 0.060 0.000 0.992 60 D CA 1.226 55.315 54.000 0.149 0.000 0.833 60 D CB -0.208 40.677 40.800 0.141 0.000 0.954 60 D HN 0.434 nan 8.370 nan 0.000 0.455 61 K N 0.430 120.844 120.400 0.023 0.000 2.057 61 K HA -0.038 4.282 4.320 -0.001 0.000 0.207 61 K C 2.138 178.718 176.600 -0.033 0.000 1.049 61 K CA 1.055 57.332 56.287 -0.018 0.000 0.931 61 K CB -0.091 32.377 32.500 -0.052 0.000 0.714 61 K HN 0.032 nan 8.250 nan 0.000 0.440 62 A N 1.188 123.992 122.820 -0.027 0.000 1.902 62 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 62 A C 2.394 179.937 177.584 -0.069 0.000 1.181 62 A CA 1.417 53.430 52.037 -0.040 0.000 0.623 62 A CB -0.663 18.327 19.000 -0.015 0.000 0.818 62 A HN 0.070 nan 8.150 nan 0.000 0.443 63 V N 0.247 120.096 119.914 -0.110 0.000 2.343 63 V HA -0.267 3.853 4.120 -0.001 0.000 0.247 63 V C 2.439 178.475 176.094 -0.095 0.000 1.051 63 V CA 2.322 64.508 62.300 -0.190 0.000 1.036 63 V CB -0.644 30.875 31.823 -0.508 0.000 0.654 63 V HN 0.551 nan 8.190 nan 0.000 0.451 64 K N 0.284 120.659 120.400 -0.042 0.000 2.057 64 K HA -0.078 4.241 4.320 -0.001 0.000 0.206 64 K C 2.340 178.937 176.600 -0.004 0.000 1.050 64 K CA 1.364 57.650 56.287 -0.002 0.000 0.935 64 K CB -0.407 32.101 32.500 0.014 0.000 0.715 64 K HN 0.460 nan 8.250 nan 0.000 0.439 65 A N 1.846 124.651 122.820 -0.025 0.000 1.908 65 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 65 A C 2.421 179.997 177.584 -0.013 0.000 1.181 65 A CA 1.990 54.009 52.037 -0.029 0.000 0.627 65 A CB -0.719 18.245 19.000 -0.060 0.000 0.818 65 A HN 0.338 nan 8.150 nan 0.000 0.445 66 A N -0.268 122.538 122.820 -0.023 0.000 1.877 66 A HA -0.147 4.173 4.320 -0.001 0.000 0.216 66 A C 2.174 179.800 177.584 0.071 0.000 1.186 66 A CA 2.190 54.226 52.037 -0.002 0.000 0.620 66 A CB -0.501 18.474 19.000 -0.042 0.000 0.822 66 A HN 0.461 nan 8.150 nan 0.000 0.443 67 R N 0.366 120.899 120.500 0.055 0.000 2.103 67 R HA -0.128 4.212 4.340 -0.001 0.000 0.242 67 R C 2.106 178.501 176.300 0.159 0.000 1.142 67 R CA 2.227 58.397 56.100 0.117 0.000 0.960 67 R CB -1.012 29.334 30.300 0.075 0.000 0.858 67 R HN 0.420 nan 8.270 nan 0.000 0.439 68 A N 0.080 122.959 122.820 0.099 0.000 1.877 68 A HA 0.000 4.320 4.320 -0.001 0.000 0.216 68 A C 2.369 180.020 177.584 0.112 0.000 1.186 68 A CA 1.790 53.879 52.037 0.087 0.000 0.620 68 A CB -1.113 17.915 19.000 0.048 0.000 0.822 68 A HN 0.491 nan 8.150 nan 0.000 0.443 69 A N -2.049 120.842 122.820 0.118 0.000 2.070 69 A HA -0.014 4.306 4.320 -0.001 0.000 0.220 69 A C 1.765 179.516 177.584 0.279 0.000 1.159 69 A CA 1.412 53.539 52.037 0.150 0.000 0.656 69 A CB -0.569 18.476 19.000 0.075 0.000 0.800 69 A HN 0.641 nan 8.150 nan 0.000 0.453 70 F N 0.163 120.194 119.950 0.136 0.000 2.765 70 F HA 0.215 4.741 4.527 -0.001 0.000 0.302 70 F C 0.651 176.526 175.800 0.125 0.000 1.111 70 F CA -0.296 57.810 58.000 0.177 0.000 1.359 70 F CB 0.139 39.229 39.000 0.149 0.000 1.097 70 F HN 0.081 nan 8.300 nan 0.000 0.577 71 Q N 1.690 121.529 119.800 0.065 0.000 2.330 71 Q HA 0.039 4.379 4.340 -0.001 0.000 0.279 71 Q C -0.204 175.734 176.000 -0.104 0.000 1.024 71 Q CA -0.129 55.668 55.803 -0.011 0.000 0.900 71 Q CB 0.779 29.538 28.738 0.036 0.000 1.221 71 Q HN 0.253 nan 8.270 nan 0.000 0.396 72 L N 1.760 122.911 121.223 -0.121 0.000 2.578 72 L HA 0.068 4.408 4.340 -0.001 0.000 0.279 72 L C 1.311 178.143 176.870 -0.063 0.000 1.227 72 L CA 2.262 57.032 54.840 -0.117 0.000 0.900 72 L CB 0.026 42.039 42.059 -0.077 0.000 1.144 72 L HN 0.932 nan 8.230 nan 0.000 0.496 73 G N 1.931 110.694 108.800 -0.062 0.000 2.199 73 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.254 73 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.254 73 G C 0.381 175.274 174.900 -0.011 0.000 0.982 73 G CA 0.409 45.490 45.100 -0.031 0.000 0.632 73 G HN 1.123 nan 8.290 nan 0.000 0.529 74 S N 0.591 116.290 115.700 -0.003 0.000 2.600 74 S HA 0.547 5.016 4.470 -0.001 0.000 0.265 74 S C -0.526 174.114 174.600 0.068 0.000 1.325 74 S CA -0.215 58.012 58.200 0.045 0.000 1.002 74 S CB 1.811 65.061 63.200 0.083 0.000 0.921 74 S HN 0.013 nan 8.310 nan 0.000 0.554 75 P HA -0.114 nan 4.420 nan 0.000 0.216 75 P C 1.287 178.707 177.300 0.199 0.000 1.153 75 P CA 1.278 64.449 63.100 0.120 0.000 0.858 75 P CB -0.136 31.643 31.700 0.132 0.000 0.789 76 W N 0.199 121.523 121.300 0.040 0.000 2.388 76 W HA -0.133 4.527 4.660 -0.001 0.000 0.294 76 W C 1.709 178.254 176.519 0.043 0.000 1.212 76 W CA 0.619 58.009 57.345 0.074 0.000 1.271 76 W CB -0.081 29.453 29.460 0.122 0.000 1.126 76 W HN -0.155 nan 8.180 nan 0.000 0.535 77 R N 0.340 120.842 120.500 0.003 0.000 2.115 77 R HA -0.038 4.301 4.340 -0.001 0.000 0.226 77 R C 2.062 178.269 176.300 -0.155 0.000 1.100 77 R CA 0.971 56.966 56.100 -0.176 0.000 0.980 77 R CB -0.642 29.538 30.300 -0.200 0.000 0.875 77 R HN 0.311 nan 8.270 nan 0.000 0.445 78 R N -0.200 120.249 120.500 -0.086 0.000 2.210 78 R HA 0.171 4.511 4.340 -0.001 0.000 0.203 78 R C 1.111 177.361 176.300 -0.083 0.000 1.010 78 R CA -0.208 55.849 56.100 -0.073 0.000 1.008 78 R CB -0.003 30.272 30.300 -0.041 0.000 0.923 78 R HN 0.108 nan 8.270 nan 0.000 0.469 79 M N 2.393 121.937 119.600 -0.093 0.000 2.248 79 M HA -0.064 4.416 4.480 -0.001 0.000 0.343 79 M C -0.784 175.454 176.300 -0.103 0.000 1.243 79 M CA 0.464 55.709 55.300 -0.091 0.000 1.025 79 M CB 0.503 33.071 32.600 -0.053 0.000 1.759 79 M HN -0.073 nan 8.290 nan 0.000 0.452 80 D N 4.355 124.720 120.400 -0.059 0.000 2.488 80 D HA 0.059 4.699 4.640 -0.001 0.000 0.238 80 D C 0.918 177.207 176.300 -0.018 0.000 1.138 80 D CA 0.646 54.630 54.000 -0.027 0.000 0.873 80 D CB 1.018 41.820 40.800 0.003 0.000 1.183 80 D HN 0.772 nan 8.370 nan 0.000 0.458 81 A N 2.732 125.533 122.820 -0.032 0.000 1.917 81 A HA -0.248 4.071 4.320 -0.001 0.000 0.219 81 A C 2.145 179.737 177.584 0.013 0.000 1.182 81 A CA 2.360 54.380 52.037 -0.027 0.000 0.633 81 A CB -0.655 18.344 19.000 -0.001 0.000 0.819 81 A HN 0.615 nan 8.150 nan 0.000 0.448 82 S N -1.254 114.465 115.700 0.031 0.000 2.419 82 S HA -0.255 4.214 4.470 -0.001 0.000 0.233 82 S C 1.825 176.454 174.600 0.049 0.000 1.016 82 S CA 1.642 59.865 58.200 0.038 0.000 0.974 82 S CB -0.707 62.515 63.200 0.036 0.000 0.786 82 S HN 0.755 nan 8.310 nan 0.000 0.492 83 H N 1.521 120.576 119.070 -0.025 0.000 2.395 83 H HA 0.226 4.781 4.556 -0.001 0.000 0.299 83 H C 2.360 177.679 175.328 -0.016 0.000 1.070 83 H CA 1.391 57.424 56.048 -0.025 0.000 1.356 83 H CB -0.084 29.658 29.762 -0.032 0.000 1.401 83 H HN 0.313 nan 8.280 nan 0.000 0.524 84 R N -0.595 119.923 120.500 0.031 0.000 2.103 84 R HA -0.137 4.203 4.340 -0.001 0.000 0.242 84 R C 2.492 178.832 176.300 0.066 0.000 1.142 84 R CA 1.221 57.357 56.100 0.059 0.000 0.960 84 R CB -0.611 29.692 30.300 0.005 0.000 0.858 84 R HN 0.467 nan 8.270 nan 0.000 0.439 85 G N 0.999 109.818 108.800 0.031 0.000 2.421 85 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.216 85 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.216 85 G C 1.373 176.260 174.900 -0.022 0.000 1.171 85 G CA 0.269 45.389 45.100 0.033 0.000 0.775 85 G HN 0.147 nan 8.290 nan 0.000 0.543 86 R N 0.259 120.689 120.500 -0.118 0.000 2.096 86 R HA 0.005 4.344 4.340 -0.001 0.000 0.240 86 R C 2.655 178.836 176.300 -0.197 0.000 1.139 86 R CA 0.765 56.756 56.100 -0.182 0.000 0.952 86 R CB -1.210 28.894 30.300 -0.327 0.000 0.854 86 R HN 0.401 nan 8.270 nan 0.000 0.436 87 L N 0.503 121.546 121.223 -0.300 0.000 2.046 87 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 87 L C 2.575 179.429 176.870 -0.026 0.000 1.077 87 L CA 1.112 55.735 54.840 -0.362 0.000 0.747 87 L CB -0.472 41.105 42.059 -0.804 0.000 0.896 87 L HN 0.133 nan 8.230 nan 0.000 0.432 88 L N -0.426 120.896 121.223 0.164 0.000 2.046 88 L HA -0.230 4.110 4.340 -0.001 0.000 0.208 88 L C 2.413 179.385 176.870 0.170 0.000 1.077 88 L CA 1.064 56.078 54.840 0.289 0.000 0.747 88 L CB -0.561 41.660 42.059 0.271 0.000 0.896 88 L HN 0.364 nan 8.230 nan 0.000 0.432 89 N N -0.087 118.667 118.700 0.089 0.000 2.166 89 N HA -0.208 4.532 4.740 -0.001 0.000 0.186 89 N C 1.930 177.474 175.510 0.056 0.000 1.019 89 N CA 1.035 54.122 53.050 0.062 0.000 0.856 89 N CB -0.219 38.282 38.487 0.025 0.000 0.993 89 N HN 0.171 nan 8.380 nan 0.000 0.426 90 R N 1.261 121.781 120.500 0.034 0.000 2.083 90 R HA -0.059 4.281 4.340 -0.001 0.000 0.237 90 R C 2.119 178.471 176.300 0.087 0.000 1.137 90 R CA 0.923 57.045 56.100 0.036 0.000 0.951 90 R CB -1.002 29.291 30.300 -0.011 0.000 0.851 90 R HN 0.179 nan 8.270 nan 0.000 0.434 91 L N 0.347 121.661 121.223 0.152 0.000 2.012 91 L HA -0.075 4.265 4.340 -0.001 0.000 0.210 91 L C 2.142 179.088 176.870 0.127 0.000 1.073 91 L CA 2.383 57.330 54.840 0.178 0.000 0.748 91 L CB -1.125 41.094 42.059 0.267 0.000 0.891 91 L HN 0.298 nan 8.230 nan 0.000 0.431 92 A N -0.778 122.115 122.820 0.121 0.000 1.883 92 A HA -0.252 4.068 4.320 -0.001 0.000 0.217 92 A C 2.017 179.651 177.584 0.084 0.000 1.186 92 A CA 1.985 54.082 52.037 0.101 0.000 0.624 92 A CB -0.964 18.096 19.000 0.099 0.000 0.822 92 A HN 0.561 nan 8.150 nan 0.000 0.444 93 D N 0.086 120.531 120.400 0.075 0.000 2.104 93 D HA -0.140 4.500 4.640 -0.001 0.000 0.194 93 D C 1.951 178.295 176.300 0.073 0.000 0.994 93 D CA 1.215 55.254 54.000 0.064 0.000 0.830 93 D CB -0.390 40.441 40.800 0.051 0.000 0.959 93 D HN 0.477 nan 8.370 nan 0.000 0.452 94 L N 0.289 121.561 121.223 0.081 0.000 2.056 94 L HA -0.108 4.232 4.340 -0.001 0.000 0.207 94 L C 2.552 179.494 176.870 0.120 0.000 1.078 94 L CA 0.628 55.523 54.840 0.091 0.000 0.749 94 L CB -0.294 41.813 42.059 0.081 0.000 0.901 94 L HN 0.018 nan 8.230 nan 0.000 0.433 95 I N -0.110 120.532 120.570 0.119 0.000 2.226 95 I HA -0.302 3.868 4.170 -0.001 0.000 0.245 95 I C 2.629 178.812 176.117 0.110 0.000 1.100 95 I CA 1.359 62.740 61.300 0.135 0.000 1.374 95 I CB -0.192 37.876 38.000 0.112 0.000 1.057 95 I HN 0.329 nan 8.210 nan 0.000 0.413 96 E N 1.188 121.437 120.200 0.082 0.000 2.077 96 E HA -0.287 4.062 4.350 -0.001 0.000 0.193 96 E C 2.396 179.047 176.600 0.086 0.000 0.989 96 E CA 1.127 57.564 56.400 0.061 0.000 0.800 96 E CB -0.063 29.666 29.700 0.049 0.000 0.746 96 E HN 0.255 nan 8.360 nan 0.000 0.452 97 R N 0.338 120.895 120.500 0.095 0.000 2.103 97 R HA -0.158 4.182 4.340 -0.001 0.000 0.242 97 R C 0.361 176.739 176.300 0.129 0.000 1.142 97 R CA 1.909 58.069 56.100 0.101 0.000 0.960 97 R CB -0.053 30.299 30.300 0.087 0.000 0.858 97 R HN 0.143 nan 8.270 nan 0.000 0.439 98 D N -0.286 120.211 120.400 0.163 0.000 2.491 98 D HA 0.023 4.662 4.640 -0.001 0.000 0.228 98 D C 1.076 177.511 176.300 0.226 0.000 1.183 98 D CA -0.033 54.093 54.000 0.210 0.000 0.827 98 D CB 0.242 41.217 40.800 0.292 0.000 0.989 98 D HN 0.277 nan 8.370 nan 0.000 0.494 99 R N 0.358 120.963 120.500 0.176 0.000 2.073 99 R HA -0.124 4.215 4.340 -0.001 0.000 0.234 99 R C 1.413 177.862 176.300 0.249 0.000 1.134 99 R CA 1.525 57.702 56.100 0.127 0.000 0.952 99 R CB -0.085 30.220 30.300 0.008 0.000 0.850 99 R HN -0.042 nan 8.270 nan 0.000 0.433 100 T N 0.216 114.996 114.554 0.378 0.000 2.708 100 T HA -0.212 4.138 4.350 -0.001 0.000 0.266 100 T C 1.386 176.311 174.700 0.374 0.000 1.037 100 T CA 1.640 64.022 62.100 0.469 0.000 1.146 100 T CB -0.517 68.562 68.868 0.353 0.000 0.865 100 T HN 0.415 nan 8.240 nan 0.000 0.435 101 Y N 1.616 122.012 120.300 0.161 0.000 2.145 101 Y HA -0.064 4.486 4.550 -0.001 0.000 0.286 101 Y C 2.010 177.948 175.900 0.063 0.000 1.145 101 Y CA 1.110 59.254 58.100 0.073 0.000 1.148 101 Y CB -0.567 37.876 38.460 -0.028 0.000 0.981 101 Y HN 0.117 nan 8.280 nan 0.000 0.507 102 L N -0.280 120.919 121.223 -0.040 0.000 2.093 102 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 102 L C 2.772 179.611 176.870 -0.052 0.000 1.085 102 L CA 1.137 55.899 54.840 -0.130 0.000 0.755 102 L CB -0.865 41.225 42.059 0.052 0.000 0.904 102 L HN 0.367 nan 8.230 nan 0.000 0.435 103 A N -0.198 122.679 122.820 0.094 0.000 1.933 103 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 103 A C 2.487 180.232 177.584 0.268 0.000 1.175 103 A CA 1.655 53.783 52.037 0.151 0.000 0.628 103 A CB -0.606 18.513 19.000 0.198 0.000 0.814 103 A HN 0.408 nan 8.150 nan 0.000 0.444 104 A N -0.592 122.431 122.820 0.337 0.000 1.873 104 A HA 0.030 4.349 4.320 -0.001 0.000 0.215 104 A C 2.096 179.764 177.584 0.140 0.000 1.186 104 A CA 1.605 53.852 52.037 0.350 0.000 0.616 104 A CB -0.602 18.513 19.000 0.192 0.000 0.823 104 A HN 0.606 nan 8.150 nan 0.000 0.442 105 L N -0.004 121.139 121.223 -0.134 0.000 2.083 105 L HA -0.135 4.205 4.340 -0.001 0.000 0.209 105 L C 2.227 179.046 176.870 -0.085 0.000 1.083 105 L CA 2.658 57.380 54.840 -0.196 0.000 0.752 105 L CB -0.642 41.139 42.059 -0.463 0.000 0.899 105 L HN 0.522 nan 8.230 nan 0.000 0.433 106 E N -1.072 119.087 120.200 -0.067 0.000 2.051 106 E HA -0.202 4.148 4.350 -0.001 0.000 0.192 106 E C 2.055 178.612 176.600 -0.072 0.000 0.991 106 E CA 2.089 58.458 56.400 -0.053 0.000 0.799 106 E CB -0.373 29.303 29.700 -0.041 0.000 0.748 106 E HN 0.476 nan 8.360 nan 0.000 0.449 107 T N 0.714 115.218 114.554 -0.084 0.000 2.746 107 T HA -0.158 4.192 4.350 -0.001 0.000 0.267 107 T C 1.728 176.320 174.700 -0.179 0.000 1.039 107 T CA 1.225 63.199 62.100 -0.211 0.000 1.142 107 T CB -0.383 68.217 68.868 -0.447 0.000 0.866 107 T HN 0.121 nan 8.240 nan 0.000 0.444 108 L N 1.180 122.385 121.223 -0.031 0.000 2.042 108 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 108 L C 2.043 178.911 176.870 -0.004 0.000 1.076 108 L CA 1.897 56.779 54.840 0.070 0.000 0.749 108 L CB -0.366 41.768 42.059 0.126 0.000 0.893 108 L HN 0.101 nan 8.230 nan 0.000 0.432 109 D N -1.805 118.578 120.400 -0.029 0.000 2.240 109 D HA -0.125 4.514 4.640 -0.001 0.000 0.206 109 D C 1.850 178.122 176.300 -0.048 0.000 0.963 109 D CA 0.638 54.619 54.000 -0.031 0.000 0.863 109 D CB 0.046 40.833 40.800 -0.022 0.000 0.973 109 D HN 0.432 nan 8.370 nan 0.000 0.501 110 N N -0.538 118.122 118.700 -0.066 0.000 2.436 110 N HA -0.019 4.721 4.740 -0.001 0.000 0.178 110 N C 1.386 176.825 175.510 -0.120 0.000 1.026 110 N CA 1.748 54.752 53.050 -0.076 0.000 0.880 110 N CB 0.850 39.290 38.487 -0.078 0.000 1.061 110 N HN 0.245 nan 8.380 nan 0.000 0.434 111 G N 1.349 110.061 108.800 -0.146 0.000 2.253 111 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.209 111 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.209 111 G C -0.110 174.675 174.900 -0.193 0.000 0.997 111 G CA 0.303 45.298 45.100 -0.175 0.000 0.640 111 G HN 0.681 nan 8.290 nan 0.000 0.496 112 K N 1.156 121.432 120.400 -0.206 0.000 2.414 112 K HA 0.464 4.784 4.320 -0.001 0.000 0.272 112 K C -2.664 173.819 176.600 -0.195 0.000 0.993 112 K CA -1.206 54.947 56.287 -0.223 0.000 0.964 112 K CB 0.489 32.820 32.500 -0.281 0.000 0.925 112 K HN 0.077 nan 8.250 nan 0.000 0.487 113 P HA -0.116 nan 4.420 nan 0.000 0.265 113 P C -0.370 176.880 177.300 -0.083 0.000 1.193 113 P CA -0.012 63.029 63.100 -0.100 0.000 0.765 113 P CB 0.140 31.813 31.700 -0.044 0.000 0.823 114 Y N 4.362 124.537 120.300 -0.208 0.000 2.274 114 Y HA -0.216 4.334 4.550 -0.000 0.000 0.290 114 Y C 1.700 177.612 175.900 0.020 0.000 1.145 114 Y CA 1.626 59.647 58.100 -0.132 0.000 1.203 114 Y CB -0.701 37.694 38.460 -0.108 0.000 0.984 114 Y HN 0.070 nan 8.280 nan 0.000 0.533 115 V N 0.341 120.200 119.914 -0.091 0.000 2.407 115 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 115 V C 2.303 178.358 176.094 -0.065 0.000 1.055 115 V CA 1.603 63.832 62.300 -0.119 0.000 1.049 115 V CB -0.569 31.263 31.823 0.016 0.000 0.662 115 V HN 0.424 nan 8.190 nan 0.000 0.455 116 I N -0.193 120.360 120.570 -0.028 0.000 2.233 116 I HA -0.116 4.053 4.170 -0.001 0.000 0.243 116 I C 2.597 178.720 176.117 0.009 0.000 1.093 116 I CA 1.305 62.628 61.300 0.039 0.000 1.380 116 I CB -1.451 36.574 38.000 0.042 0.000 1.067 116 I HN 0.257 nan 8.210 nan 0.000 0.413 117 S N 0.332 115.993 115.700 -0.064 0.000 2.380 117 S HA -0.265 4.204 4.470 -0.001 0.000 0.229 117 S C 2.036 176.596 174.600 -0.066 0.000 1.043 117 S CA 1.746 59.908 58.200 -0.063 0.000 1.038 117 S CB -0.557 62.602 63.200 -0.068 0.000 0.872 117 S HN 0.483 nan 8.310 nan 0.000 0.456 118 Y N 1.311 121.445 120.300 -0.276 0.000 2.176 118 Y HA 0.100 4.650 4.550 -0.001 0.000 0.291 118 Y C 1.922 177.757 175.900 -0.108 0.000 1.122 118 Y CA 1.237 59.188 58.100 -0.248 0.000 1.128 118 Y CB -0.169 38.003 38.460 -0.480 0.000 1.005 118 Y HN 0.112 nan 8.280 nan 0.000 0.509 119 L N -1.373 119.903 121.223 0.090 0.000 2.270 119 L HA -0.076 4.263 4.340 -0.001 0.000 0.210 119 L C 1.727 178.616 176.870 0.032 0.000 1.104 119 L CA 0.435 55.321 54.840 0.077 0.000 0.804 119 L CB -0.191 41.944 42.059 0.126 0.000 0.937 119 L HN 0.158 nan 8.230 nan 0.000 0.450 120 V N -0.919 119.030 119.914 0.058 0.000 2.784 120 V HA -0.062 4.057 4.120 -0.001 0.000 0.231 120 V C 1.673 177.814 176.094 0.078 0.000 1.128 120 V CA 0.991 63.354 62.300 0.104 0.000 1.178 120 V CB -0.200 31.763 31.823 0.233 0.000 0.943 120 V HN 0.191 nan 8.190 nan 0.000 0.500 121 D N 0.683 121.136 120.400 0.088 0.000 2.116 121 D HA -0.194 4.446 4.640 -0.001 0.000 0.193 121 D C 1.995 178.302 176.300 0.012 0.000 0.998 121 D CA 1.517 55.558 54.000 0.068 0.000 0.836 121 D CB -0.215 40.621 40.800 0.060 0.000 0.951 121 D HN 0.224 nan 8.370 nan 0.000 0.449 122 L N 0.079 121.277 121.223 -0.041 0.000 2.109 122 L HA -0.117 4.223 4.340 -0.001 0.000 0.207 122 L C 1.893 178.725 176.870 -0.062 0.000 1.086 122 L CA 1.098 55.895 54.840 -0.072 0.000 0.760 122 L CB -0.171 41.789 42.059 -0.165 0.000 0.910 122 L HN -0.028 nan 8.230 nan 0.000 0.437 123 D N -0.362 119.995 120.400 -0.072 0.000 2.097 123 D HA -0.230 4.410 4.640 -0.001 0.000 0.195 123 D C 2.269 178.584 176.300 0.025 0.000 0.989 123 D CA 1.563 55.544 54.000 -0.031 0.000 0.827 123 D CB 0.052 40.840 40.800 -0.021 0.000 0.966 123 D HN 0.179 nan 8.370 nan 0.000 0.456 124 M N -0.570 119.055 119.600 0.043 0.000 2.175 124 M HA -0.112 4.368 4.480 -0.001 0.000 0.264 124 M C 2.242 178.614 176.300 0.121 0.000 1.063 124 M CA 0.603 55.955 55.300 0.086 0.000 1.119 124 M CB -0.059 32.587 32.600 0.076 0.000 1.377 124 M HN -0.018 nan 8.290 nan 0.000 0.415 125 V N 1.107 121.072 119.914 0.085 0.000 2.295 125 V HA -0.266 3.853 4.120 -0.001 0.000 0.246 125 V C 2.317 178.481 176.094 0.118 0.000 1.049 125 V CA 1.723 64.086 62.300 0.105 0.000 1.024 125 V CB -0.583 31.278 31.823 0.063 0.000 0.648 125 V HN 0.454 nan 8.190 nan 0.000 0.447 126 L N -0.697 120.574 121.223 0.081 0.000 2.046 126 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 126 L C 2.553 179.484 176.870 0.103 0.000 1.077 126 L CA 1.709 56.597 54.840 0.081 0.000 0.747 126 L CB -0.602 41.485 42.059 0.046 0.000 0.896 126 L HN 0.272 nan 8.230 nan 0.000 0.432 127 K N -0.900 119.559 120.400 0.099 0.000 2.097 127 K HA -0.177 4.143 4.320 -0.001 0.000 0.205 127 K C 2.303 178.989 176.600 0.145 0.000 1.050 127 K CA 1.421 57.770 56.287 0.103 0.000 0.938 127 K CB -0.390 32.155 32.500 0.075 0.000 0.718 127 K HN 0.377 nan 8.250 nan 0.000 0.442 128 C N 1.164 120.572 119.300 0.180 0.000 2.462 128 C HA -0.050 4.410 4.460 -0.001 0.000 0.278 128 C C 2.397 177.587 174.990 0.334 0.000 1.253 128 C CA 0.616 59.784 59.018 0.251 0.000 1.713 128 C CB -0.893 27.053 27.740 0.343 0.000 2.049 128 C HN 0.391 nan 8.230 nan 0.000 0.477 129 L N 0.229 121.612 121.223 0.268 0.000 2.046 129 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 129 L C 3.002 180.006 176.870 0.224 0.000 1.077 129 L CA 1.647 56.640 54.840 0.255 0.000 0.747 129 L CB -0.727 41.443 42.059 0.186 0.000 0.896 129 L HN 0.331 nan 8.230 nan 0.000 0.432 130 R N -1.247 119.357 120.500 0.174 0.000 2.115 130 R HA -0.186 4.154 4.340 -0.001 0.000 0.230 130 R C 2.274 178.638 176.300 0.107 0.000 1.111 130 R CA 1.358 57.532 56.100 0.122 0.000 0.976 130 R CB -0.396 29.958 30.300 0.091 0.000 0.870 130 R HN 0.262 nan 8.270 nan 0.000 0.445 131 Y N 0.103 120.402 120.300 -0.002 0.000 2.114 131 Y HA -0.291 4.258 4.550 -0.001 0.000 0.284 131 Y C 1.660 177.505 175.900 -0.093 0.000 1.143 131 Y CA 1.613 59.648 58.100 -0.110 0.000 1.135 131 Y CB -0.436 37.906 38.460 -0.196 0.000 0.980 131 Y HN 0.016 nan 8.280 nan 0.000 0.499 132 Y N -0.328 120.079 120.300 0.177 0.000 2.352 132 Y HA -0.132 4.417 4.550 -0.001 0.000 0.292 132 Y C 2.607 178.552 175.900 0.075 0.000 1.136 132 Y CA 0.701 58.885 58.100 0.140 0.000 1.227 132 Y CB -0.577 38.003 38.460 0.201 0.000 0.991 132 Y HN 0.285 nan 8.280 nan 0.000 0.545 133 A N 0.329 123.260 122.820 0.185 0.000 1.917 133 A HA -0.242 4.077 4.320 -0.001 0.000 0.219 133 A C 2.522 180.121 177.584 0.025 0.000 1.182 133 A CA 2.005 54.110 52.037 0.114 0.000 0.633 133 A CB -1.533 17.517 19.000 0.083 0.000 0.819 133 A HN 0.489 nan 8.150 nan 0.000 0.448 134 G N -2.522 106.216 108.800 -0.103 0.000 2.448 134 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.219 134 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.219 134 G C 1.354 176.103 174.900 -0.253 0.000 1.127 134 G CA 0.771 45.729 45.100 -0.237 0.000 0.766 134 G HN 0.696 nan 8.290 nan 0.000 0.552 135 W N 0.578 121.774 121.300 -0.173 0.000 2.584 135 W HA 0.294 4.953 4.660 -0.001 0.000 0.264 135 W C 2.769 179.269 176.519 -0.033 0.000 1.264 135 W CA 0.192 57.465 57.345 -0.121 0.000 1.306 135 W CB 0.309 29.713 29.460 -0.094 0.000 1.110 135 W HN 0.248 nan 8.180 nan 0.000 0.606 136 A N 0.985 123.938 122.820 0.222 0.000 1.948 136 A HA -0.268 4.051 4.320 -0.001 0.000 0.220 136 A C 1.299 178.957 177.584 0.123 0.000 1.177 136 A CA 2.299 54.432 52.037 0.161 0.000 0.636 136 A CB -0.761 18.306 19.000 0.112 0.000 0.815 136 A HN 0.359 nan 8.150 nan 0.000 0.449 137 D N -2.327 118.129 120.400 0.093 0.000 2.593 137 D HA 0.213 4.853 4.640 -0.001 0.000 0.241 137 D C 0.489 176.807 176.300 0.030 0.000 1.257 137 D CA -0.050 53.984 54.000 0.058 0.000 0.828 137 D CB 0.056 40.877 40.800 0.036 0.000 1.049 137 D HN 0.436 nan 8.370 nan 0.000 0.490 138 K N -0.629 119.817 120.400 0.075 0.000 2.517 138 K HA 0.053 4.373 4.320 -0.001 0.000 0.210 138 K C -0.517 176.035 176.600 -0.080 0.000 1.166 138 K CA -0.468 55.787 56.287 -0.053 0.000 1.030 138 K CB 0.871 33.384 32.500 0.022 0.000 0.974 138 K HN -0.031 nan 8.250 nan 0.000 0.585 139 Y N 2.831 123.082 120.300 -0.081 0.000 2.724 139 Y HA 0.156 4.705 4.550 -0.001 0.000 0.332 139 Y C -0.467 175.352 175.900 -0.134 0.000 1.276 139 Y CA -1.301 56.747 58.100 -0.088 0.000 1.597 139 Y CB -0.914 37.523 38.460 -0.038 0.000 1.584 139 Y HN 0.079 nan 8.280 nan 0.000 0.478 140 H N 0.939 119.943 119.070 -0.109 0.000 2.790 140 H HA 0.372 4.927 4.556 -0.001 0.000 0.358 140 H C 0.964 175.879 175.328 -0.689 0.000 1.103 140 H CA 0.462 56.355 56.048 -0.259 0.000 1.426 140 H CB 0.757 30.438 29.762 -0.135 0.000 1.424 140 H HN 0.714 nan 8.280 nan 0.000 0.599 141 G N 0.865 109.340 108.800 -0.542 0.000 2.510 141 G HA2 0.410 4.369 3.960 -0.001 0.000 0.280 141 G HA3 0.410 4.369 3.960 -0.001 0.000 0.280 141 G C -0.712 174.029 174.900 -0.266 0.000 1.386 141 G CA -0.871 43.793 45.100 -0.726 0.000 1.047 141 G HN 0.539 nan 8.290 nan 0.000 0.527 142 K N -0.476 119.850 120.400 -0.124 0.000 2.318 142 K HA 0.510 4.830 4.320 -0.001 0.000 0.249 142 K C -0.620 176.011 176.600 0.052 0.000 0.942 142 K CA -0.629 55.640 56.287 -0.029 0.000 0.808 142 K CB 2.074 34.567 32.500 -0.011 0.000 1.189 142 K HN 0.607 nan 8.250 nan 0.000 0.428 143 T N -0.592 114.007 114.554 0.075 0.000 2.799 143 T HA 0.610 4.959 4.350 -0.001 0.000 0.286 143 T C 0.053 174.827 174.700 0.124 0.000 0.973 143 T CA -0.724 61.474 62.100 0.164 0.000 1.035 143 T CB 0.211 69.221 68.868 0.236 0.000 0.932 143 T HN 0.387 nan 8.240 nan 0.000 0.469 144 I N 4.466 125.115 120.570 0.132 0.000 2.466 144 I HA 0.341 4.511 4.170 -0.001 0.000 0.289 144 I C -2.133 174.050 176.117 0.110 0.000 1.026 144 I CA -2.789 58.562 61.300 0.085 0.000 1.078 144 I CB 2.705 40.728 38.000 0.038 0.000 1.249 144 I HN 0.490 nan 8.210 nan 0.000 0.429 145 P HA 0.203 nan 4.420 nan 0.000 0.230 145 P C -0.104 177.245 177.300 0.082 0.000 1.791 145 P CA 0.084 63.239 63.100 0.092 0.000 1.020 145 P CB 0.216 31.955 31.700 0.065 0.000 1.977 146 I N 1.315 121.944 120.570 0.098 0.000 2.779 146 I HA 0.080 4.250 4.170 -0.001 0.000 0.285 146 I C 0.216 176.405 176.117 0.119 0.000 1.134 146 I CA -0.266 61.083 61.300 0.081 0.000 1.398 146 I CB 0.742 38.776 38.000 0.057 0.000 1.404 146 I HN 0.035 nan 8.210 nan 0.000 0.587 147 D N 4.854 125.313 120.400 0.097 0.000 2.449 147 D HA 0.399 5.039 4.640 -0.001 0.000 0.236 147 D C 0.385 176.828 176.300 0.237 0.000 1.149 147 D CA 1.279 55.352 54.000 0.121 0.000 0.878 147 D CB 0.683 41.533 40.800 0.083 0.000 1.198 147 D HN 0.936 nan 8.370 nan 0.000 0.446 148 G N 1.829 110.751 108.800 0.203 0.000 2.757 148 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.638 148 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.638 148 G C -0.741 174.198 174.900 0.065 0.000 1.344 148 G CA -0.751 44.483 45.100 0.223 0.000 0.855 148 G HN 0.505 nan 8.290 nan 0.000 0.537 149 D N 1.004 121.196 120.400 -0.346 0.000 2.688 149 D HA 0.465 5.105 4.640 -0.001 0.000 0.228 149 D C -0.111 175.714 176.300 -0.793 0.000 1.116 149 D CA 0.961 54.685 54.000 -0.459 0.000 1.023 149 D CB -0.510 40.046 40.800 -0.406 0.000 1.100 149 D HN 0.270 nan 8.370 nan 0.000 0.487 150 F N 0.315 120.308 119.950 0.073 0.000 2.599 150 F HA 0.382 4.909 4.527 -0.001 0.000 0.311 150 F C -0.330 175.585 175.800 0.192 0.000 1.076 150 F CA -1.465 56.597 58.000 0.103 0.000 0.937 150 F CB 1.490 40.524 39.000 0.056 0.000 1.282 150 F HN -0.150 nan 8.300 nan 0.000 0.460 151 F N 2.097 122.187 119.950 0.234 0.000 2.388 151 F HA 0.668 5.195 4.527 -0.001 0.000 0.358 151 F C -0.476 175.444 175.800 0.199 0.000 1.122 151 F CA -1.065 57.047 58.000 0.186 0.000 1.056 151 F CB 1.044 40.142 39.000 0.164 0.000 1.155 151 F HN 0.289 nan 8.300 nan 0.000 0.461 152 S N 6.756 122.447 115.700 -0.015 0.000 2.500 152 S HA 0.809 5.278 4.470 -0.001 0.000 0.301 152 S C -1.430 173.029 174.600 -0.235 0.000 1.092 152 S CA -0.286 57.778 58.200 -0.227 0.000 1.030 152 S CB 0.690 63.838 63.200 -0.088 0.000 1.031 152 S HN 0.695 nan 8.310 nan 0.000 0.483 153 Y N -0.020 120.041 120.300 -0.397 0.000 2.670 153 Y HA 0.762 5.311 4.550 -0.001 0.000 0.334 153 Y C -0.616 175.182 175.900 -0.171 0.000 1.185 153 Y CA -1.076 56.860 58.100 -0.272 0.000 1.053 153 Y CB 0.800 39.049 38.460 -0.352 0.000 1.298 153 Y HN 0.538 nan 8.280 nan 0.000 0.459 154 T N -0.348 114.250 114.554 0.073 0.000 2.856 154 T HA 0.697 5.046 4.350 -0.001 0.000 0.283 154 T C -0.811 173.971 174.700 0.138 0.000 1.008 154 T CA -1.061 61.061 62.100 0.035 0.000 0.997 154 T CB 1.688 70.592 68.868 0.061 0.000 0.992 154 T HN 0.800 nan 8.240 nan 0.000 0.454 155 R N 1.251 121.830 120.500 0.131 0.000 2.407 155 R HA 0.330 4.669 4.340 -0.001 0.000 0.303 155 R C -0.266 176.175 176.300 0.235 0.000 0.981 155 R CA -0.684 55.507 56.100 0.152 0.000 0.905 155 R CB 0.902 31.284 30.300 0.138 0.000 1.099 155 R HN 0.725 nan 8.270 nan 0.000 0.459 156 H N 2.380 121.468 119.070 0.030 0.000 2.787 156 H HA 0.123 4.678 4.556 -0.001 0.000 0.275 156 H C -0.328 175.050 175.328 0.083 0.000 1.183 156 H CA -0.365 55.704 56.048 0.036 0.000 1.290 156 H CB 0.856 30.605 29.762 -0.021 0.000 1.438 156 H HN 0.399 nan 8.280 nan 0.000 0.487 157 E N 4.072 124.382 120.200 0.183 0.000 2.250 157 E HA 0.223 4.573 4.350 -0.001 0.000 0.269 157 E C -2.440 174.272 176.600 0.186 0.000 1.018 157 E CA -2.298 54.201 56.400 0.166 0.000 0.873 157 E CB 1.044 30.831 29.700 0.144 0.000 1.134 157 E HN 0.380 nan 8.360 nan 0.000 0.403 158 P HA -0.076 nan 4.420 nan 0.000 0.271 158 P C 0.618 178.039 177.300 0.202 0.000 1.216 158 P CA 0.063 63.321 63.100 0.263 0.000 0.776 158 P CB 0.697 32.657 31.700 0.434 0.000 0.881 159 V N 2.204 122.178 119.914 0.101 0.000 2.626 159 V HA 0.035 4.155 4.120 -0.001 0.000 0.252 159 V C 1.103 177.132 176.094 -0.108 0.000 1.067 159 V CA 2.713 65.022 62.300 0.014 0.000 1.081 159 V CB -1.133 30.677 31.823 -0.022 0.000 0.686 159 V HN 0.979 nan 8.190 nan 0.000 0.468 160 G N -0.976 107.644 108.800 -0.300 0.000 2.390 160 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.202 160 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.202 160 G C -0.452 174.064 174.900 -0.640 0.000 1.210 160 G CA -0.224 44.317 45.100 -0.931 0.000 1.271 160 G HN 0.544 nan 8.290 nan 0.000 0.543 161 V N 1.174 120.819 119.914 -0.449 0.000 2.415 161 V HA 0.405 4.524 4.120 -0.001 0.000 0.267 161 V C 0.379 176.403 176.094 -0.117 0.000 1.042 161 V CA -0.083 62.081 62.300 -0.226 0.000 1.000 161 V CB 0.303 32.028 31.823 -0.163 0.000 1.015 161 V HN 0.809 nan 8.190 nan 0.000 0.478 162 C N 5.022 124.292 119.300 -0.051 0.000 2.264 162 C HA 0.658 5.118 4.460 -0.001 0.000 0.324 162 C C 1.065 176.071 174.990 0.027 0.000 1.267 162 C CA -1.008 58.024 59.018 0.024 0.000 1.618 162 C CB 0.276 28.110 27.740 0.157 0.000 2.278 162 C HN 1.001 nan 8.230 nan 0.000 0.499 163 G N 3.162 111.976 108.800 0.023 0.000 2.355 163 G HA2 0.491 4.450 3.960 -0.001 0.000 0.276 163 G HA3 0.491 4.450 3.960 -0.001 0.000 0.276 163 G C -0.714 174.233 174.900 0.079 0.000 1.198 163 G CA -0.086 45.037 45.100 0.038 0.000 0.876 163 G HN 0.811 nan 8.290 nan 0.000 0.478 164 Q N 1.487 121.336 119.800 0.082 0.000 2.310 164 Q HA 0.441 4.781 4.340 -0.001 0.000 0.270 164 Q C -0.878 175.178 176.000 0.094 0.000 1.025 164 Q CA -0.444 55.419 55.803 0.100 0.000 0.772 164 Q CB 2.747 31.538 28.738 0.088 0.000 1.253 164 Q HN 0.515 nan 8.270 nan 0.000 0.450 165 I N 4.821 125.461 120.570 0.117 0.000 2.410 165 I HA 0.467 4.636 4.170 -0.001 0.000 0.286 165 I C -0.228 175.871 176.117 -0.028 0.000 1.009 165 I CA -0.788 60.583 61.300 0.117 0.000 1.111 165 I CB 1.098 39.286 38.000 0.314 0.000 1.262 165 I HN 0.531 nan 8.210 nan 0.000 0.443 166 I N 5.025 125.569 120.570 -0.044 0.000 2.646 166 I HA 0.766 4.935 4.170 -0.001 0.000 0.299 166 I C -2.739 173.303 176.117 -0.125 0.000 1.036 166 I CA -2.253 58.975 61.300 -0.120 0.000 1.074 166 I CB 2.112 40.073 38.000 -0.065 0.000 1.258 166 I HN 0.191 nan 8.210 nan 0.000 0.430 167 P HA 0.248 nan 4.420 nan 0.000 0.317 167 P C -0.128 177.075 177.300 -0.162 0.000 1.307 167 P CA -0.259 62.683 63.100 -0.264 0.000 0.749 167 P CB 0.391 31.798 31.700 -0.488 0.000 1.377 168 W N -0.218 121.070 121.300 -0.020 0.000 3.103 168 W HA 0.109 4.768 4.660 -0.001 0.000 0.325 168 W C 0.725 177.204 176.519 -0.068 0.000 1.170 168 W CA 0.160 57.483 57.345 -0.036 0.000 1.712 168 W CB -1.397 28.042 29.460 -0.035 0.000 1.068 168 W HN 0.211 nan 8.180 nan 0.000 0.592 169 N N 1.855 120.388 118.700 -0.280 0.000 2.331 169 N HA -0.149 4.591 4.740 -0.001 0.000 0.180 169 N C -0.181 175.017 175.510 -0.521 0.000 1.019 169 N CA 0.721 53.597 53.050 -0.289 0.000 0.881 169 N CB -1.009 37.217 38.487 -0.434 0.000 0.972 169 N HN 0.063 nan 8.380 nan 0.000 0.435 170 F N -0.196 119.638 119.950 -0.194 0.000 2.710 170 F HA 0.436 4.962 4.527 -0.001 0.000 0.345 170 F C -1.839 173.848 175.800 -0.187 0.000 1.362 170 F CA -2.065 55.806 58.000 -0.215 0.000 1.175 170 F CB 2.089 40.877 39.000 -0.354 0.000 1.561 170 F HN -0.175 nan 8.300 nan 0.000 0.593 171 P HA -0.181 nan 4.420 nan 0.000 0.213 171 P C 1.956 179.251 177.300 -0.008 0.000 1.170 171 P CA 1.608 64.710 63.100 0.003 0.000 0.902 171 P CB 0.444 32.157 31.700 0.022 0.000 0.789 172 L N -1.828 119.394 121.223 -0.002 0.000 2.027 172 L HA -0.157 4.183 4.340 -0.001 0.000 0.206 172 L C 2.447 179.297 176.870 -0.033 0.000 1.074 172 L CA 0.952 55.794 54.840 0.002 0.000 0.745 172 L CB -1.004 41.065 42.059 0.017 0.000 0.898 172 L HN -0.026 nan 8.230 nan 0.000 0.433 173 L N -0.511 120.664 121.223 -0.080 0.000 2.046 173 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 173 L C 2.514 179.139 176.870 -0.408 0.000 1.077 173 L CA 1.844 56.539 54.840 -0.242 0.000 0.747 173 L CB -0.435 41.398 42.059 -0.376 0.000 0.896 173 L HN 0.179 nan 8.230 nan 0.000 0.432 174 M N -1.223 118.172 119.600 -0.342 0.000 2.117 174 M HA -0.248 4.231 4.480 -0.001 0.000 0.262 174 M C 2.277 178.538 176.300 -0.065 0.000 1.065 174 M CA 1.806 56.948 55.300 -0.264 0.000 1.114 174 M CB -1.101 31.387 32.600 -0.186 0.000 1.361 174 M HN 0.492 nan 8.290 nan 0.000 0.408 175 Q N 0.393 120.169 119.800 -0.040 0.000 2.096 175 Q HA -0.158 4.181 4.340 -0.001 0.000 0.204 175 Q C 2.042 178.064 176.000 0.036 0.000 0.982 175 Q CA 2.084 57.887 55.803 0.001 0.000 0.850 175 Q CB -0.037 28.701 28.738 0.000 0.000 0.901 175 Q HN 0.496 nan 8.270 nan 0.000 0.422 176 A N -0.042 122.818 122.820 0.066 0.000 1.898 176 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 176 A C 1.524 179.273 177.584 0.275 0.000 1.181 176 A CA 1.173 53.302 52.037 0.153 0.000 0.620 176 A CB -1.125 17.986 19.000 0.185 0.000 0.819 176 A HN 0.638 nan 8.150 nan 0.000 0.442 177 W N 0.517 121.818 121.300 0.002 0.000 2.421 177 W HA -0.043 4.617 4.660 -0.001 0.000 0.270 177 W C 2.067 178.560 176.519 -0.043 0.000 1.233 177 W CA 1.228 58.581 57.345 0.014 0.000 1.226 177 W CB -0.150 29.308 29.460 -0.003 0.000 1.121 177 W HN 0.269 nan 8.180 nan 0.000 0.579 178 K N -0.512 119.986 120.400 0.162 0.000 2.141 178 K HA 0.105 4.425 4.320 -0.001 0.000 0.202 178 K C 2.034 178.556 176.600 -0.129 0.000 1.045 178 K CA 0.609 56.916 56.287 0.033 0.000 0.971 178 K CB -0.838 31.700 32.500 0.063 0.000 0.795 178 K HN 0.201 nan 8.250 nan 0.000 0.459 179 L N 0.477 121.649 121.223 -0.084 0.000 2.109 179 L HA -0.067 4.273 4.340 -0.001 0.000 0.207 179 L C 2.488 179.257 176.870 -0.169 0.000 1.086 179 L CA 1.252 56.008 54.840 -0.140 0.000 0.760 179 L CB -0.945 41.046 42.059 -0.114 0.000 0.910 179 L HN 0.269 nan 8.230 nan 0.000 0.437 180 G N 1.219 109.946 108.800 -0.121 0.000 2.514 180 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.217 180 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.217 180 G C -0.641 173.995 174.900 -0.440 0.000 1.198 180 G CA 0.943 45.977 45.100 -0.110 0.000 0.780 180 G HN 0.315 nan 8.290 nan 0.000 0.565 181 P HA 0.033 nan 4.420 nan 0.000 0.217 181 P C 2.035 178.922 177.300 -0.688 0.000 1.151 181 P CA 1.900 64.401 63.100 -0.998 0.000 0.828 181 P CB -0.158 30.960 31.700 -0.969 0.000 0.788 182 A N 0.135 122.448 122.820 -0.846 0.000 1.873 182 A HA -0.111 4.209 4.320 -0.001 0.000 0.215 182 A C 2.369 179.874 177.584 -0.133 0.000 1.186 182 A CA 1.392 53.024 52.037 -0.675 0.000 0.616 182 A CB -1.568 17.078 19.000 -0.590 0.000 0.823 182 A HN 0.111 nan 8.150 nan 0.000 0.442 183 L N -0.957 120.243 121.223 -0.037 0.000 2.131 183 L HA -0.077 4.263 4.340 -0.001 0.000 0.206 183 L C 3.055 180.111 176.870 0.311 0.000 1.087 183 L CA 0.810 55.817 54.840 0.279 0.000 0.767 183 L CB -0.577 41.624 42.059 0.237 0.000 0.917 183 L HN 0.408 nan 8.230 nan 0.000 0.441 184 A N 0.325 123.233 122.820 0.147 0.000 1.940 184 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 184 A C 2.195 179.847 177.584 0.112 0.000 1.176 184 A CA 2.300 54.431 52.037 0.155 0.000 0.631 184 A CB -0.901 18.206 19.000 0.179 0.000 0.814 184 A HN 0.516 nan 8.150 nan 0.000 0.446 185 T N -4.472 110.126 114.554 0.073 0.000 3.163 185 T HA 0.435 4.785 4.350 -0.001 0.000 0.252 185 T C 1.189 175.962 174.700 0.122 0.000 1.056 185 T CA 0.917 63.073 62.100 0.093 0.000 0.947 185 T CB 0.061 68.979 68.868 0.084 0.000 1.016 185 T HN 1.708 nan 8.240 nan 0.000 0.554 186 G N 1.628 110.510 108.800 0.137 0.000 2.136 186 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.242 186 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.242 186 G C 0.016 175.199 174.900 0.472 0.000 0.989 186 G CA -0.253 44.884 45.100 0.062 0.000 0.682 186 G HN 0.584 nan 8.290 nan 0.000 0.522 187 N N -0.570 118.417 118.700 0.478 0.000 2.347 187 N HA 0.556 5.296 4.740 -0.001 0.000 0.253 187 N C 0.574 176.377 175.510 0.488 0.000 1.274 187 N CA 0.620 53.910 53.050 0.400 0.000 0.941 187 N CB 1.627 40.233 38.487 0.199 0.000 1.200 187 N HN 0.767 nan 8.380 nan 0.000 0.514 188 V N -2.138 117.890 119.914 0.190 0.000 2.864 188 V HA 0.783 4.903 4.120 -0.001 0.000 0.314 188 V C -0.048 176.032 176.094 -0.023 0.000 1.073 188 V CA -0.920 61.407 62.300 0.045 0.000 0.956 188 V CB 1.485 33.341 31.823 0.054 0.000 1.023 188 V HN 0.424 nan 8.190 nan 0.000 0.435 189 V N 2.003 121.881 119.914 -0.060 0.000 2.876 189 V HA 0.880 4.999 4.120 -0.001 0.000 0.312 189 V C -0.934 175.136 176.094 -0.040 0.000 1.085 189 V CA -0.540 61.736 62.300 -0.040 0.000 0.945 189 V CB 2.103 33.904 31.823 -0.038 0.000 1.017 189 V HN 0.935 nan 8.190 nan 0.000 0.428 190 V N 6.841 126.741 119.914 -0.023 0.000 2.350 190 V HA 0.514 4.634 4.120 -0.001 0.000 0.285 190 V C -0.020 176.085 176.094 0.018 0.000 1.014 190 V CA -0.267 62.026 62.300 -0.011 0.000 0.831 190 V CB 1.339 33.141 31.823 -0.034 0.000 1.000 190 V HN 1.032 nan 8.190 nan 0.000 0.433 191 M N 5.375 124.994 119.600 0.032 0.000 2.294 191 M HA 0.575 5.054 4.480 -0.001 0.000 0.335 191 M C -0.739 175.601 176.300 0.066 0.000 1.079 191 M CA -0.544 54.783 55.300 0.045 0.000 0.982 191 M CB 1.372 33.989 32.600 0.028 0.000 1.651 191 M HN 0.403 nan 8.290 nan 0.000 0.437 192 K N 5.342 125.786 120.400 0.073 0.000 2.293 192 K HA 0.433 4.753 4.320 -0.001 0.000 0.267 192 K C -1.183 175.460 176.600 0.072 0.000 1.010 192 K CA -0.331 56.005 56.287 0.082 0.000 0.875 192 K CB 0.932 33.487 32.500 0.092 0.000 1.106 192 K HN 0.693 nan 8.250 nan 0.000 0.450 193 V N 0.699 120.659 119.914 0.077 0.000 2.973 193 V HA 0.744 4.864 4.120 -0.001 0.000 0.314 193 V C 0.260 176.393 176.094 0.064 0.000 1.066 193 V CA -1.121 61.221 62.300 0.070 0.000 1.021 193 V CB 1.280 33.154 31.823 0.085 0.000 1.076 193 V HN 0.707 nan 8.190 nan 0.000 0.462 194 A N 1.898 124.763 122.820 0.076 0.000 2.401 194 A HA 0.359 4.679 4.320 -0.001 0.000 0.259 194 A C 1.202 178.812 177.584 0.043 0.000 1.103 194 A CA 0.231 52.320 52.037 0.087 0.000 0.789 194 A CB 0.065 19.195 19.000 0.217 0.000 1.035 194 A HN 1.142 nan 8.150 nan 0.000 0.491 195 E N 1.797 121.931 120.200 -0.111 0.000 2.204 195 E HA -0.287 4.063 4.350 -0.001 0.000 0.195 195 E C 1.056 177.667 176.600 0.018 0.000 0.990 195 E CA 1.668 57.928 56.400 -0.234 0.000 0.821 195 E CB -0.239 28.918 29.700 -0.904 0.000 0.750 195 E HN 0.808 nan 8.360 nan 0.000 0.477 196 Q N 0.778 120.561 119.800 -0.027 0.000 2.224 196 Q HA -0.041 4.299 4.340 -0.001 0.000 0.203 196 Q C 0.796 176.809 176.000 0.022 0.000 0.970 196 Q CA 1.889 57.660 55.803 -0.053 0.000 0.865 196 Q CB 0.276 28.869 28.738 -0.241 0.000 0.922 196 Q HN 0.492 nan 8.270 nan 0.000 0.445 197 T N -4.222 110.383 114.554 0.086 0.000 3.734 197 T HA 0.333 4.683 4.350 -0.001 0.000 0.238 197 T C -2.614 172.140 174.700 0.090 0.000 1.205 197 T CA -1.313 60.836 62.100 0.082 0.000 1.606 197 T CB 1.014 69.948 68.868 0.110 0.000 0.832 197 T HN -0.083 nan 8.240 nan 0.000 0.655 198 P HA 0.259 nan 4.420 nan 0.000 0.234 198 P C 1.661 179.014 177.300 0.089 0.000 1.175 198 P CA -0.073 63.096 63.100 0.115 0.000 0.801 198 P CB 0.241 32.039 31.700 0.163 0.000 0.891 199 L N 0.081 121.337 121.223 0.055 0.000 1.994 199 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 199 L C 2.631 179.559 176.870 0.097 0.000 1.071 199 L CA 2.557 57.427 54.840 0.050 0.000 0.745 199 L CB -2.140 39.922 42.059 0.005 0.000 0.892 199 L HN 0.100 nan 8.230 nan 0.000 0.431 200 T N -2.013 112.583 114.554 0.071 0.000 2.788 200 T HA -0.161 4.189 4.350 -0.001 0.000 0.268 200 T C 1.951 176.739 174.700 0.148 0.000 1.044 200 T CA 1.053 63.212 62.100 0.099 0.000 1.139 200 T CB -0.462 68.431 68.868 0.041 0.000 0.867 200 T HN 0.330 nan 8.240 nan 0.000 0.454 201 A N 1.693 124.578 122.820 0.108 0.000 1.933 201 A HA 0.175 4.495 4.320 -0.001 0.000 0.218 201 A C 2.472 180.119 177.584 0.106 0.000 1.175 201 A CA 1.294 53.384 52.037 0.088 0.000 0.628 201 A CB -0.863 18.179 19.000 0.070 0.000 0.814 201 A HN 0.553 nan 8.150 nan 0.000 0.444 202 L N -2.297 119.025 121.223 0.165 0.000 2.093 202 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 202 L C 2.581 179.619 176.870 0.279 0.000 1.085 202 L CA 1.662 56.660 54.840 0.263 0.000 0.755 202 L CB -0.638 41.566 42.059 0.241 0.000 0.904 202 L HN 0.580 nan 8.230 nan 0.000 0.435 203 Y N 0.296 120.680 120.300 0.141 0.000 2.224 203 Y HA -0.205 4.344 4.550 -0.001 0.000 0.289 203 Y C 2.398 178.366 175.900 0.114 0.000 1.146 203 Y CA 1.360 59.560 58.100 0.167 0.000 1.182 203 Y CB -0.137 38.474 38.460 0.251 0.000 0.983 203 Y HN -0.172 nan 8.280 nan 0.000 0.524 204 V N 0.332 120.320 119.914 0.123 0.000 2.490 204 V HA -0.337 3.783 4.120 -0.001 0.000 0.250 204 V C 2.628 178.606 176.094 -0.193 0.000 1.061 204 V CA 1.616 63.914 62.300 -0.004 0.000 1.064 204 V CB -1.474 30.373 31.823 0.040 0.000 0.670 204 V HN 0.578 nan 8.190 nan 0.000 0.461 205 A N 0.244 122.884 122.820 -0.301 0.000 1.940 205 A HA -0.298 4.022 4.320 -0.001 0.000 0.219 205 A C 2.056 179.207 177.584 -0.722 0.000 1.176 205 A CA 2.338 53.906 52.037 -0.782 0.000 0.631 205 A CB -0.804 17.366 19.000 -1.383 0.000 0.814 205 A HN 0.582 nan 8.150 nan 0.000 0.446 206 N N -0.097 118.402 118.700 -0.336 0.000 2.149 206 N HA -0.089 4.651 4.740 -0.001 0.000 0.188 206 N C 1.536 176.931 175.510 -0.191 0.000 1.019 206 N CA 1.470 54.425 53.050 -0.158 0.000 0.857 206 N CB -0.335 38.016 38.487 -0.227 0.000 0.997 206 N HN 0.525 nan 8.380 nan 0.000 0.426 207 L N -0.272 120.801 121.223 -0.250 0.000 2.109 207 L HA -0.035 4.305 4.340 -0.001 0.000 0.207 207 L C 2.021 178.883 176.870 -0.013 0.000 1.086 207 L CA 0.605 55.376 54.840 -0.114 0.000 0.760 207 L CB -0.351 41.669 42.059 -0.064 0.000 0.910 207 L HN 0.189 nan 8.230 nan 0.000 0.437 208 I N 0.363 120.893 120.570 -0.067 0.000 2.208 208 I HA -0.344 3.825 4.170 -0.001 0.000 0.245 208 I C 2.771 178.992 176.117 0.173 0.000 1.097 208 I CA 1.498 62.806 61.300 0.014 0.000 1.363 208 I CB -0.248 37.619 38.000 -0.222 0.000 1.051 208 I HN 0.274 nan 8.210 nan 0.000 0.413 209 K N 1.151 121.611 120.400 0.100 0.000 2.026 209 K HA -0.272 4.048 4.320 -0.001 0.000 0.208 209 K C 2.117 178.784 176.600 0.112 0.000 1.048 209 K CA 1.893 58.273 56.287 0.155 0.000 0.929 209 K CB -0.179 32.428 32.500 0.179 0.000 0.713 209 K HN 0.255 nan 8.250 nan 0.000 0.439 210 E N -0.208 120.034 120.200 0.068 0.000 2.160 210 E HA -0.193 4.157 4.350 -0.001 0.000 0.195 210 E C 1.649 178.287 176.600 0.063 0.000 0.991 210 E CA 1.006 57.435 56.400 0.049 0.000 0.810 210 E CB -0.110 29.599 29.700 0.014 0.000 0.742 210 E HN 0.477 nan 8.360 nan 0.000 0.466 211 A N -0.015 122.867 122.820 0.104 0.000 2.015 211 A HA 0.071 4.391 4.320 -0.001 0.000 0.219 211 A C 1.857 179.446 177.584 0.009 0.000 1.163 211 A CA 1.391 53.480 52.037 0.086 0.000 0.646 211 A CB -0.359 18.762 19.000 0.201 0.000 0.806 211 A HN 0.517 nan 8.150 nan 0.000 0.448 212 G N -2.766 106.066 108.800 0.054 0.000 2.154 212 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.186 212 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.186 212 G C -0.060 174.830 174.900 -0.017 0.000 1.000 212 G CA -0.261 44.845 45.100 0.009 0.000 0.664 212 G HN 0.260 nan 8.290 nan 0.000 0.513 213 F N 1.703 121.668 119.950 0.025 0.000 2.538 213 F HA 0.393 4.920 4.527 -0.001 0.000 0.371 213 F C -1.104 174.668 175.800 -0.047 0.000 1.087 213 F CA -1.337 56.642 58.000 -0.035 0.000 1.250 213 F CB 0.466 39.383 39.000 -0.138 0.000 1.110 213 F HN -0.086 nan 8.300 nan 0.000 0.570 214 P HA 0.032 nan 4.420 nan 0.000 0.267 214 P C -2.509 174.789 177.300 -0.004 0.000 1.200 214 P CA -0.848 62.293 63.100 0.068 0.000 0.772 214 P CB -0.075 31.700 31.700 0.124 0.000 0.855 215 P HA 0.060 nan 4.420 nan 0.000 0.266 215 P C 1.018 178.264 177.300 -0.090 0.000 1.195 215 P CA 1.065 64.119 63.100 -0.077 0.000 0.768 215 P CB 0.149 31.807 31.700 -0.070 0.000 0.838 216 G N 1.017 109.736 108.800 -0.136 0.000 2.217 216 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.246 216 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.246 216 G C 0.978 175.799 174.900 -0.132 0.000 0.990 216 G CA 0.251 45.284 45.100 -0.112 0.000 0.627 216 G HN 0.399 nan 8.290 nan 0.000 0.522 217 V N -0.006 119.779 119.914 -0.215 0.000 2.307 217 V HA 0.076 4.196 4.120 -0.001 0.000 0.245 217 V C 1.513 177.429 176.094 -0.297 0.000 1.045 217 V CA 2.002 64.061 62.300 -0.402 0.000 1.024 217 V CB 0.021 31.371 31.823 -0.789 0.000 0.651 217 V HN 0.378 nan 8.190 nan 0.000 0.449 218 V N 1.725 121.510 119.914 -0.215 0.000 2.487 218 V HA 0.472 4.592 4.120 -0.001 0.000 0.298 218 V C -0.754 175.357 176.094 0.027 0.000 1.028 218 V CA -0.742 61.480 62.300 -0.129 0.000 0.860 218 V CB 1.673 33.371 31.823 -0.208 0.000 0.991 218 V HN 0.454 nan 8.190 nan 0.000 0.427 219 N N 5.378 124.093 118.700 0.025 0.000 2.296 219 N HA 0.635 5.375 4.740 -0.001 0.000 0.294 219 N C -1.227 174.348 175.510 0.108 0.000 1.033 219 N CA -0.423 52.673 53.050 0.078 0.000 0.839 219 N CB 3.029 41.507 38.487 -0.015 0.000 1.395 219 N HN 0.485 nan 8.380 nan 0.000 0.479 220 I N 1.321 122.005 120.570 0.189 0.000 2.433 220 I HA 0.365 4.535 4.170 -0.001 0.000 0.292 220 I C -0.390 175.833 176.117 0.177 0.000 1.001 220 I CA -1.041 60.350 61.300 0.152 0.000 1.119 220 I CB 2.120 40.200 38.000 0.133 0.000 1.289 220 I HN 0.042 nan 8.210 nan 0.000 0.438 221 V N 7.427 127.428 119.914 0.145 0.000 2.305 221 V HA 0.303 4.423 4.120 -0.001 0.000 0.275 221 V C -2.303 173.890 176.094 0.164 0.000 1.020 221 V CA -1.689 60.706 62.300 0.159 0.000 0.811 221 V CB 1.116 33.013 31.823 0.122 0.000 1.031 221 V HN 0.559 nan 8.190 nan 0.000 0.439 222 P HA 0.604 nan 4.420 nan 0.000 0.272 222 P C 0.393 177.825 177.300 0.220 0.000 1.223 222 P CA 0.423 63.667 63.100 0.241 0.000 0.784 222 P CB 1.281 33.183 31.700 0.337 0.000 0.923 223 G N 0.074 108.886 108.800 0.021 0.000 2.345 223 G HA2 0.284 4.244 3.960 -0.001 0.000 0.285 223 G HA3 0.284 4.244 3.960 -0.001 0.000 0.285 223 G C -1.699 172.951 174.900 -0.417 0.000 1.297 223 G CA -0.784 44.226 45.100 -0.150 0.000 0.875 223 G HN 0.230 nan 8.290 nan 0.000 0.506 224 F N 0.477 120.306 119.950 -0.202 0.000 2.408 224 F HA 0.590 5.116 4.527 -0.001 0.000 0.325 224 F C 1.772 177.543 175.800 -0.048 0.000 1.082 224 F CA 0.715 58.621 58.000 -0.157 0.000 1.032 224 F CB 1.511 40.418 39.000 -0.155 0.000 1.259 224 F HN 0.665 nan 8.300 nan 0.000 0.503 225 G N 0.452 109.349 108.800 0.161 0.000 2.404 225 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.214 225 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.214 225 G C -1.053 173.907 174.900 0.099 0.000 1.189 225 G CA 0.500 45.673 45.100 0.122 0.000 0.789 225 G HN 0.487 nan 8.290 nan 0.000 0.533 226 P HA 0.019 nan 4.420 nan 0.000 0.230 226 P C 1.601 178.930 177.300 0.047 0.000 1.158 226 P CA 1.797 64.927 63.100 0.050 0.000 0.769 226 P CB 0.125 31.844 31.700 0.033 0.000 0.807 227 T N -3.575 111.025 114.554 0.076 0.000 3.587 227 T HA 0.307 4.657 4.350 -0.001 0.000 0.221 227 T C 1.955 176.702 174.700 0.079 0.000 0.921 227 T CA 0.555 62.697 62.100 0.070 0.000 1.426 227 T CB -1.113 67.805 68.868 0.082 0.000 1.340 227 T HN -0.111 nan 8.240 nan 0.000 0.423 228 A N 1.776 124.655 122.820 0.100 0.000 1.883 228 A HA 0.213 4.533 4.320 -0.001 0.000 0.217 228 A C 2.610 180.247 177.584 0.087 0.000 1.186 228 A CA 2.066 54.161 52.037 0.095 0.000 0.624 228 A CB -1.761 17.299 19.000 0.101 0.000 0.822 228 A HN 0.696 nan 8.150 nan 0.000 0.444 229 G N -0.617 108.236 108.800 0.088 0.000 2.421 229 G HA2 0.008 3.968 3.960 -0.001 0.000 0.216 229 G HA3 0.008 3.968 3.960 -0.001 0.000 0.216 229 G C 1.757 176.694 174.900 0.061 0.000 1.171 229 G CA 1.477 46.631 45.100 0.090 0.000 0.775 229 G HN 0.834 nan 8.290 nan 0.000 0.543 230 A N 1.073 123.921 122.820 0.046 0.000 1.972 230 A HA 0.291 4.610 4.320 -0.001 0.000 0.219 230 A C 2.786 180.393 177.584 0.038 0.000 1.169 230 A CA 2.138 54.188 52.037 0.023 0.000 0.635 230 A CB -0.677 18.332 19.000 0.014 0.000 0.810 230 A HN 0.767 nan 8.150 nan 0.000 0.446 231 A N 0.073 122.929 122.820 0.059 0.000 1.902 231 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 231 A C 2.110 179.766 177.584 0.120 0.000 1.181 231 A CA 1.511 53.598 52.037 0.083 0.000 0.623 231 A CB -0.565 18.492 19.000 0.096 0.000 0.818 231 A HN 0.506 nan 8.150 nan 0.000 0.443 232 I N -0.335 120.294 120.570 0.098 0.000 2.202 232 I HA -0.259 3.910 4.170 -0.001 0.000 0.242 232 I C 2.952 179.119 176.117 0.083 0.000 1.091 232 I CA 1.104 62.457 61.300 0.089 0.000 1.368 232 I CB -0.397 37.644 38.000 0.068 0.000 1.058 232 I HN 0.350 nan 8.210 nan 0.000 0.410 233 A N -0.334 122.519 122.820 0.054 0.000 1.972 233 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 233 A C 2.328 179.929 177.584 0.028 0.000 1.169 233 A CA 1.943 53.995 52.037 0.025 0.000 0.635 233 A CB -0.413 18.576 19.000 -0.019 0.000 0.810 233 A HN 0.389 nan 8.150 nan 0.000 0.446 234 S N -1.253 114.472 115.700 0.041 0.000 2.540 234 S HA 0.093 4.563 4.470 -0.001 0.000 0.218 234 S C 0.577 175.198 174.600 0.036 0.000 0.977 234 S CA -0.555 57.658 58.200 0.022 0.000 0.918 234 S CB -0.222 62.978 63.200 -0.001 0.000 0.806 234 S HN 0.686 nan 8.310 nan 0.000 0.496 235 H N 2.535 121.603 119.070 -0.003 0.000 2.815 235 H HA 0.092 4.648 4.556 -0.001 0.000 0.350 235 H C 0.797 176.123 175.328 -0.003 0.000 1.080 235 H CA 0.623 56.671 56.048 -0.000 0.000 1.433 235 H CB 0.706 30.471 29.762 0.004 0.000 1.432 235 H HN 0.116 nan 8.280 nan 0.000 0.592 236 E N 2.808 122.965 120.200 -0.072 0.000 2.435 236 E HA -0.097 4.253 4.350 -0.001 0.000 0.195 236 E C 0.496 177.191 176.600 0.159 0.000 1.029 236 E CA 0.644 57.058 56.400 0.023 0.000 0.865 236 E CB 0.288 29.945 29.700 -0.071 0.000 0.833 236 E HN 0.583 nan 8.360 nan 0.000 0.510 237 D N -0.400 120.261 120.400 0.435 0.000 2.479 237 D HA 0.059 4.698 4.640 -0.001 0.000 0.218 237 D C -0.739 175.611 176.300 0.083 0.000 1.177 237 D CA -0.035 54.101 54.000 0.227 0.000 0.830 237 D CB 0.687 41.618 40.800 0.220 0.000 1.014 237 D HN -0.225 nan 8.370 nan 0.000 0.503 238 V N 1.616 121.586 119.914 0.092 0.000 2.406 238 V HA 0.151 4.271 4.120 -0.001 0.000 0.272 238 V C 0.896 176.987 176.094 -0.005 0.000 1.043 238 V CA -0.335 61.956 62.300 -0.013 0.000 0.915 238 V CB 1.710 33.526 31.823 -0.011 0.000 0.988 238 V HN 0.090 nan 8.190 nan 0.000 0.466 239 D N 2.892 123.266 120.400 -0.045 0.000 2.249 239 D HA 0.043 4.682 4.640 -0.001 0.000 0.205 239 D C 0.789 177.060 176.300 -0.049 0.000 0.962 239 D CA 0.914 54.886 54.000 -0.047 0.000 0.860 239 D CB 0.576 41.325 40.800 -0.084 0.000 0.955 239 D HN 0.367 nan 8.370 nan 0.000 0.505 240 K N 0.727 121.097 120.400 -0.051 0.000 2.557 240 K HA 0.303 4.622 4.320 -0.001 0.000 0.257 240 K C -2.053 174.526 176.600 -0.035 0.000 0.933 240 K CA -0.542 55.706 56.287 -0.065 0.000 0.820 240 K CB 2.755 35.187 32.500 -0.114 0.000 1.330 240 K HN -0.141 nan 8.250 nan 0.000 0.432 241 V N 2.350 122.248 119.914 -0.028 0.000 2.604 241 V HA 0.860 4.980 4.120 -0.001 0.000 0.305 241 V C -1.293 174.819 176.094 0.030 0.000 1.043 241 V CA -0.385 61.927 62.300 0.019 0.000 0.888 241 V CB 1.609 33.452 31.823 0.034 0.000 0.995 241 V HN 0.876 nan 8.190 nan 0.000 0.429 242 A N 6.351 129.223 122.820 0.086 0.000 2.330 242 A HA 0.865 5.185 4.320 -0.001 0.000 0.313 242 A C -1.371 176.333 177.584 0.199 0.000 1.124 242 A CA -0.468 51.640 52.037 0.118 0.000 0.774 242 A CB 1.127 20.207 19.000 0.133 0.000 1.198 242 A HN 1.228 nan 8.150 nan 0.000 0.465 243 F N 1.979 121.953 119.950 0.041 0.000 2.547 243 F HA 0.677 5.204 4.527 -0.001 0.000 0.316 243 F C -0.436 175.393 175.800 0.047 0.000 1.121 243 F CA -0.020 58.003 58.000 0.039 0.000 0.911 243 F CB 2.253 41.267 39.000 0.024 0.000 1.179 243 F HN 0.428 nan 8.300 nan 0.000 0.443 244 T N 4.715 118.807 114.554 -0.770 0.000 2.792 244 T HA 0.818 5.168 4.350 -0.001 0.000 0.280 244 T C -0.090 173.915 174.700 -1.159 0.000 0.990 244 T CA -0.211 61.495 62.100 -0.657 0.000 0.960 244 T CB 1.223 69.921 68.868 -0.284 0.000 0.939 244 T HN 1.114 nan 8.240 nan 0.000 0.439 245 G N 1.744 110.096 108.800 -0.747 0.000 2.399 245 G HA2 0.444 4.404 3.960 -0.001 0.000 0.256 245 G HA3 0.444 4.404 3.960 -0.001 0.000 0.256 245 G C -0.646 174.254 174.900 -0.000 0.000 1.236 245 G CA -0.327 44.511 45.100 -0.437 0.000 0.914 245 G HN 0.912 nan 8.290 nan 0.000 0.482 246 S N -0.524 115.266 115.700 0.149 0.000 2.592 246 S HA 0.446 4.916 4.470 -0.001 0.000 0.271 246 S C 1.374 176.099 174.600 0.210 0.000 1.326 246 S CA 1.013 59.280 58.200 0.111 0.000 1.024 246 S CB 1.328 64.573 63.200 0.076 0.000 0.921 246 S HN 0.820 nan 8.310 nan 0.000 0.527 247 T N 1.393 116.054 114.554 0.178 0.000 2.699 247 T HA -0.176 4.174 4.350 -0.001 0.000 0.268 247 T C 1.630 176.388 174.700 0.095 0.000 1.036 247 T CA 1.911 64.111 62.100 0.167 0.000 1.147 247 T CB -0.575 68.411 68.868 0.197 0.000 0.862 247 T HN 0.877 nan 8.240 nan 0.000 0.446 248 E N 0.355 120.604 120.200 0.082 0.000 2.058 248 E HA -0.158 4.192 4.350 -0.001 0.000 0.194 248 E C 2.007 178.605 176.600 -0.003 0.000 0.997 248 E CA 1.160 57.583 56.400 0.038 0.000 0.801 248 E CB -0.065 29.662 29.700 0.045 0.000 0.746 248 E HN 0.331 nan 8.360 nan 0.000 0.450 249 I N 0.895 121.468 120.570 0.004 0.000 2.439 249 I HA -0.085 4.084 4.170 -0.001 0.000 0.251 249 I C 2.570 178.473 176.117 -0.356 0.000 1.139 249 I CA 1.191 62.408 61.300 -0.139 0.000 1.438 249 I CB -1.731 36.227 38.000 -0.070 0.000 1.085 249 I HN 0.247 nan 8.210 nan 0.000 0.427 250 G N 1.493 110.180 108.800 -0.188 0.000 2.505 250 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.220 250 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.220 250 G C 1.891 176.702 174.900 -0.147 0.000 1.145 250 G CA 0.678 45.683 45.100 -0.157 0.000 0.761 250 G HN 0.345 nan 8.290 nan 0.000 0.571 251 R N -0.259 120.186 120.500 -0.091 0.000 2.075 251 R HA 0.009 4.348 4.340 -0.001 0.000 0.232 251 R C 2.664 178.904 176.300 -0.101 0.000 1.126 251 R CA 1.085 57.140 56.100 -0.075 0.000 0.963 251 R CB -0.639 29.633 30.300 -0.047 0.000 0.858 251 R HN 0.296 nan 8.270 nan 0.000 0.435 252 V N 1.602 121.438 119.914 -0.130 0.000 2.332 252 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 252 V C 2.321 178.323 176.094 -0.153 0.000 1.055 252 V CA 1.575 63.797 62.300 -0.130 0.000 1.038 252 V CB -0.483 31.256 31.823 -0.139 0.000 0.651 252 V HN 0.258 nan 8.190 nan 0.000 0.450 253 I N -0.188 120.238 120.570 -0.240 0.000 2.142 253 I HA -0.286 3.883 4.170 -0.001 0.000 0.240 253 I C 2.559 178.605 176.117 -0.118 0.000 1.078 253 I CA 1.924 63.092 61.300 -0.220 0.000 1.343 253 I CB -1.186 36.607 38.000 -0.346 0.000 1.046 253 I HN 0.447 nan 8.210 nan 0.000 0.405 254 Q N 0.419 120.159 119.800 -0.100 0.000 2.119 254 Q HA -0.138 4.202 4.340 -0.001 0.000 0.201 254 Q C 2.367 178.335 176.000 -0.054 0.000 0.972 254 Q CA 1.295 57.061 55.803 -0.062 0.000 0.847 254 Q CB 0.218 28.927 28.738 -0.048 0.000 0.903 254 Q HN 0.304 nan 8.270 nan 0.000 0.433 255 V N 0.679 120.557 119.914 -0.059 0.000 2.343 255 V HA -0.267 3.852 4.120 -0.001 0.000 0.247 255 V C 2.293 178.361 176.094 -0.044 0.000 1.051 255 V CA 1.758 64.029 62.300 -0.048 0.000 1.036 255 V CB -0.907 30.887 31.823 -0.048 0.000 0.654 255 V HN 0.500 nan 8.190 nan 0.000 0.451 256 A N -0.074 122.715 122.820 -0.052 0.000 1.933 256 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 256 A C 2.412 179.978 177.584 -0.030 0.000 1.175 256 A CA 2.124 54.136 52.037 -0.041 0.000 0.628 256 A CB -0.730 18.242 19.000 -0.046 0.000 0.814 256 A HN 0.574 nan 8.150 nan 0.000 0.444 257 A N -0.550 122.250 122.820 -0.033 0.000 1.898 257 A HA 0.145 4.465 4.320 -0.001 0.000 0.216 257 A C 2.401 179.971 177.584 -0.023 0.000 1.181 257 A CA 1.848 53.871 52.037 -0.024 0.000 0.620 257 A CB -1.329 17.655 19.000 -0.027 0.000 0.819 257 A HN 0.733 nan 8.150 nan 0.000 0.442 258 G N -0.924 107.859 108.800 -0.028 0.000 2.422 258 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.218 258 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.218 258 G C 1.665 176.551 174.900 -0.023 0.000 1.140 258 G CA 1.257 46.342 45.100 -0.026 0.000 0.775 258 G HN 0.505 nan 8.290 nan 0.000 0.545 259 S N 0.251 115.936 115.700 -0.024 0.000 2.496 259 S HA 0.030 4.499 4.470 -0.001 0.000 0.224 259 S C 2.328 176.915 174.600 -0.021 0.000 0.996 259 S CA 0.957 59.144 58.200 -0.023 0.000 0.927 259 S CB 0.083 63.267 63.200 -0.025 0.000 0.774 259 S HN 0.625 nan 8.310 nan 0.000 0.524 260 S N 3.300 118.988 115.700 -0.019 0.000 2.965 260 S HA 0.107 4.577 4.470 -0.001 0.000 0.165 260 S C 0.956 175.549 174.600 -0.012 0.000 0.735 260 S CA 0.181 58.370 58.200 -0.017 0.000 0.985 260 S CB -0.537 62.656 63.200 -0.011 0.000 0.675 260 S HN 0.477 nan 8.310 nan 0.000 0.592 261 N N 1.267 119.964 118.700 -0.005 0.000 2.235 261 N HA 0.259 4.999 4.740 -0.001 0.000 0.231 261 N C 0.143 175.650 175.510 -0.005 0.000 1.177 261 N CA -0.118 52.931 53.050 -0.001 0.000 0.874 261 N CB -0.470 38.024 38.487 0.012 0.000 1.097 261 N HN 0.632 nan 8.380 nan 0.000 0.518 262 L N -0.288 120.929 121.223 -0.011 0.000 3.843 262 L HA -0.295 4.045 4.340 -0.001 0.000 0.411 262 L C -0.053 176.806 176.870 -0.018 0.000 1.205 262 L CA 0.646 55.476 54.840 -0.016 0.000 0.945 262 L CB -1.752 40.297 42.059 -0.016 0.000 1.929 262 L HN 0.452 nan 8.230 nan 0.000 0.934 263 K N 0.035 120.426 120.400 -0.014 0.000 2.469 263 K HA 0.354 4.674 4.320 -0.001 0.000 0.274 263 K C 0.367 176.947 176.600 -0.033 0.000 0.983 263 K CA -0.453 55.822 56.287 -0.020 0.000 0.974 263 K CB 0.427 32.921 32.500 -0.010 0.000 0.913 263 K HN 0.026 nan 8.250 nan 0.000 0.493 264 R N 1.071 121.542 120.500 -0.049 0.000 2.594 264 R HA 0.261 4.601 4.340 -0.001 0.000 0.272 264 R C -0.631 175.628 176.300 -0.068 0.000 1.074 264 R CA -0.431 55.631 56.100 -0.064 0.000 1.105 264 R CB 1.026 31.273 30.300 -0.087 0.000 1.008 264 R HN 0.451 nan 8.270 nan 0.000 0.472 265 V N 1.696 121.572 119.914 -0.062 0.000 2.588 265 V HA 0.559 4.679 4.120 -0.001 0.000 0.304 265 V C -0.409 175.658 176.094 -0.045 0.000 1.042 265 V CA -0.759 61.515 62.300 -0.043 0.000 0.877 265 V CB 2.088 33.895 31.823 -0.026 0.000 0.996 265 V HN 0.997 nan 8.190 nan 0.000 0.425 266 T N 2.818 117.356 114.554 -0.027 0.000 2.893 266 T HA 0.870 5.220 4.350 -0.001 0.000 0.291 266 T C -1.019 173.724 174.700 0.072 0.000 1.028 266 T CA -0.749 61.350 62.100 -0.003 0.000 0.995 266 T CB 1.817 70.663 68.868 -0.037 0.000 1.051 266 T HN 0.382 nan 8.240 nan 0.000 0.470 267 L N 1.633 122.909 121.223 0.088 0.000 2.436 267 L HA 0.563 4.903 4.340 -0.001 0.000 0.268 267 L C -0.533 176.417 176.870 0.134 0.000 0.974 267 L CA -0.892 54.042 54.840 0.157 0.000 0.826 267 L CB 2.313 44.466 42.059 0.157 0.000 1.291 267 L HN 0.648 nan 8.230 nan 0.000 0.406 268 E N 4.922 125.205 120.200 0.138 0.000 2.141 268 E HA 0.542 4.892 4.350 -0.001 0.000 0.259 268 E C -0.764 175.897 176.600 0.101 0.000 0.883 268 E CA -0.247 56.230 56.400 0.129 0.000 0.744 268 E CB 2.417 32.214 29.700 0.162 0.000 1.150 268 E HN 0.478 nan 8.360 nan 0.000 0.420 269 L N 0.287 121.587 121.223 0.129 0.000 2.664 269 L HA 0.652 4.991 4.340 -0.001 0.000 0.253 269 L C 1.176 178.106 176.870 0.100 0.000 1.293 269 L CA -1.112 53.808 54.840 0.133 0.000 1.280 269 L CB 0.285 42.457 42.059 0.189 0.000 1.993 269 L HN 0.427 nan 8.230 nan 0.000 0.577 270 G N -1.594 107.261 108.800 0.092 0.000 2.525 270 G HA2 0.594 4.554 3.960 -0.001 0.000 0.287 270 G HA3 0.594 4.554 3.960 -0.001 0.000 0.287 270 G C -0.656 174.095 174.900 -0.248 0.000 1.350 270 G CA 0.102 45.158 45.100 -0.074 0.000 1.039 270 G HN 0.796 nan 8.290 nan 0.000 0.513 271 G N -1.802 106.634 108.800 -0.606 0.000 2.645 271 G HA2 0.500 4.460 3.960 -0.001 0.000 0.292 271 G HA3 0.500 4.460 3.960 -0.001 0.000 0.292 271 G C -1.399 173.081 174.900 -0.701 0.000 1.415 271 G CA -0.599 44.094 45.100 -0.677 0.000 0.785 271 G HN 0.595 nan 8.290 nan 0.000 0.483 272 K N 0.530 120.778 120.400 -0.253 0.000 3.207 272 K HA 0.441 4.760 4.320 -0.001 0.000 0.166 272 K C -0.212 176.430 176.600 0.071 0.000 1.079 272 K CA -0.301 55.957 56.287 -0.048 0.000 0.818 272 K CB 0.264 32.824 32.500 0.101 0.000 0.967 272 K HN 0.405 nan 8.250 nan 0.000 0.594 273 S N 3.299 119.051 115.700 0.087 0.000 2.516 273 S HA 0.203 4.672 4.470 -0.001 0.000 0.282 273 S C -2.410 172.311 174.600 0.202 0.000 1.286 273 S CA -0.707 57.589 58.200 0.160 0.000 1.066 273 S CB 0.389 63.737 63.200 0.248 0.000 0.884 273 S HN 0.344 nan 8.310 nan 0.000 0.491 274 P HA 0.225 nan 4.420 nan 0.000 0.287 274 P C -0.856 176.639 177.300 0.324 0.000 1.281 274 P CA -0.535 62.750 63.100 0.310 0.000 0.781 274 P CB 0.306 32.178 31.700 0.288 0.000 0.903 275 N N 3.795 122.689 118.700 0.323 0.000 2.511 275 N HA 0.319 5.059 4.740 -0.001 0.000 0.249 275 N C -0.906 174.781 175.510 0.296 0.000 0.971 275 N CA -0.562 52.691 53.050 0.337 0.000 0.938 275 N CB 0.414 39.018 38.487 0.195 0.000 1.131 275 N HN 0.282 nan 8.380 nan 0.000 0.505 276 I N 4.864 125.618 120.570 0.307 0.000 2.297 276 I HA 0.272 4.442 4.170 -0.001 0.000 0.291 276 I C -0.115 176.183 176.117 0.301 0.000 1.033 276 I CA -0.705 60.740 61.300 0.242 0.000 1.253 276 I CB 1.064 39.100 38.000 0.060 0.000 1.396 276 I HN 0.372 nan 8.210 nan 0.000 0.476 277 I N 7.007 127.734 120.570 0.261 0.000 2.306 277 I HA 0.300 4.470 4.170 -0.001 0.000 0.288 277 I C 0.287 176.570 176.117 0.276 0.000 1.036 277 I CA -0.443 60.973 61.300 0.192 0.000 1.221 277 I CB 0.634 38.537 38.000 -0.162 0.000 1.385 277 I HN 0.483 nan 8.210 nan 0.000 0.472 278 M N 3.788 123.569 119.600 0.301 0.000 2.202 278 M HA 0.145 4.625 4.480 -0.001 0.000 0.316 278 M C 1.652 178.043 176.300 0.152 0.000 1.138 278 M CA -0.016 55.440 55.300 0.261 0.000 1.151 278 M CB 0.561 33.305 32.600 0.240 0.000 1.422 278 M HN 0.647 nan 8.290 nan 0.000 0.471 279 S N 0.125 115.879 115.700 0.090 0.000 2.447 279 S HA -0.137 4.333 4.470 -0.001 0.000 0.233 279 S C 0.798 175.450 174.600 0.087 0.000 1.006 279 S CA 1.182 59.416 58.200 0.057 0.000 0.957 279 S CB -0.514 62.695 63.200 0.015 0.000 0.773 279 S HN 0.752 nan 8.310 nan 0.000 0.507 280 D N 1.692 122.156 120.400 0.107 0.000 2.328 280 D HA 0.367 5.006 4.640 -0.001 0.000 0.221 280 D C 0.607 176.996 176.300 0.147 0.000 1.072 280 D CA 0.073 54.138 54.000 0.109 0.000 0.850 280 D CB -0.343 40.512 40.800 0.092 0.000 0.922 280 D HN 0.487 nan 8.370 nan 0.000 0.516 281 A N 0.517 123.450 122.820 0.190 0.000 2.406 281 A HA 0.186 4.506 4.320 -0.001 0.000 0.243 281 A C -0.017 177.716 177.584 0.248 0.000 1.082 281 A CA -0.285 51.912 52.037 0.266 0.000 0.786 281 A CB 0.030 19.232 19.000 0.336 0.000 1.029 281 A HN 0.166 nan 8.150 nan 0.000 0.495 282 D N 1.386 121.970 120.400 0.306 0.000 2.342 282 D HA 0.189 4.829 4.640 -0.001 0.000 0.260 282 D C 1.060 177.536 176.300 0.293 0.000 1.278 282 D CA -0.145 54.020 54.000 0.275 0.000 0.910 282 D CB 0.337 41.312 40.800 0.292 0.000 1.079 282 D HN 0.431 nan 8.370 nan 0.000 0.496 283 M N 3.658 123.384 119.600 0.211 0.000 2.073 283 M HA -0.205 4.275 4.480 -0.001 0.000 0.258 283 M C 1.045 177.432 176.300 0.145 0.000 1.070 283 M CA 1.867 57.278 55.300 0.185 0.000 1.103 283 M CB -0.238 32.440 32.600 0.130 0.000 1.321 283 M HN 0.459 nan 8.290 nan 0.000 0.405 284 D N -1.160 119.324 120.400 0.139 0.000 2.097 284 D HA -0.256 4.384 4.640 -0.001 0.000 0.195 284 D C 1.959 178.364 176.300 0.174 0.000 0.989 284 D CA 1.640 55.706 54.000 0.110 0.000 0.827 284 D CB -0.787 40.081 40.800 0.114 0.000 0.966 284 D HN 0.682 nan 8.370 nan 0.000 0.456 285 W N 1.964 123.306 121.300 0.070 0.000 2.355 285 W HA -0.171 4.489 4.660 -0.001 0.000 0.309 285 W C 2.293 178.875 176.519 0.105 0.000 1.206 285 W CA 1.539 58.953 57.345 0.115 0.000 1.284 285 W CB 0.010 29.580 29.460 0.183 0.000 1.145 285 W HN -0.060 nan 8.180 nan 0.000 0.502 286 A N 0.285 123.155 122.820 0.084 0.000 1.902 286 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 286 A C 2.033 179.486 177.584 -0.218 0.000 1.181 286 A CA 2.074 53.950 52.037 -0.270 0.000 0.623 286 A CB -1.136 17.875 19.000 0.018 0.000 0.818 286 A HN 0.164 nan 8.150 nan 0.000 0.443 287 V N -0.149 119.674 119.914 -0.152 0.000 2.307 287 V HA -0.211 3.909 4.120 -0.001 0.000 0.245 287 V C 2.636 178.588 176.094 -0.236 0.000 1.045 287 V CA 2.405 64.480 62.300 -0.375 0.000 1.024 287 V CB -0.593 30.968 31.823 -0.435 0.000 0.651 287 V HN 0.670 nan 8.190 nan 0.000 0.449 288 E N -0.178 119.908 120.200 -0.190 0.000 2.072 288 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 288 E C 2.291 178.809 176.600 -0.136 0.000 0.985 288 E CA 1.210 57.525 56.400 -0.142 0.000 0.801 288 E CB -0.226 29.402 29.700 -0.120 0.000 0.750 288 E HN 0.487 nan 8.360 nan 0.000 0.452 289 Q N -0.339 119.250 119.800 -0.352 0.000 2.119 289 Q HA -0.033 4.306 4.340 -0.001 0.000 0.201 289 Q C 2.117 178.027 176.000 -0.149 0.000 0.972 289 Q CA 1.395 57.029 55.803 -0.282 0.000 0.847 289 Q CB -0.404 28.057 28.738 -0.462 0.000 0.903 289 Q HN 0.368 nan 8.270 nan 0.000 0.433 290 A N 0.089 122.780 122.820 -0.215 0.000 1.930 290 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 290 A C 1.904 179.452 177.584 -0.059 0.000 1.175 290 A CA 1.827 53.776 52.037 -0.146 0.000 0.627 290 A CB -0.732 18.308 19.000 0.066 0.000 0.815 290 A HN 0.477 nan 8.150 nan 0.000 0.443 291 H N -1.377 117.676 119.070 -0.027 0.000 2.293 291 H HA -0.169 4.386 4.556 -0.001 0.000 0.300 291 H C 1.755 177.219 175.328 0.228 0.000 1.082 291 H CA 2.287 58.431 56.048 0.161 0.000 1.308 291 H CB -0.465 29.354 29.762 0.094 0.000 1.375 291 H HN 0.471 nan 8.280 nan 0.000 0.495 292 F N 0.862 120.869 119.950 0.095 0.000 2.091 292 F HA -0.262 4.265 4.527 -0.001 0.000 0.299 292 F C 2.516 178.278 175.800 -0.064 0.000 1.103 292 F CA 1.720 59.750 58.000 0.050 0.000 1.228 292 F CB -0.671 38.323 39.000 -0.010 0.000 0.984 292 F HN 0.304 nan 8.300 nan 0.000 0.477 293 A N 0.160 122.713 122.820 -0.446 0.000 1.978 293 A HA -0.189 4.131 4.320 -0.001 0.000 0.220 293 A C 2.072 179.291 177.584 -0.609 0.000 1.170 293 A CA 2.025 53.548 52.037 -0.856 0.000 0.636 293 A CB -0.993 17.209 19.000 -1.330 0.000 0.810 293 A HN 0.604 nan 8.150 nan 0.000 0.448 294 L N -2.955 117.977 121.223 -0.486 0.000 2.269 294 L HA 0.296 4.636 4.340 -0.001 0.000 0.200 294 L C 1.915 178.473 176.870 -0.520 0.000 1.069 294 L CA 1.105 55.628 54.840 -0.528 0.000 0.804 294 L CB -0.103 41.529 42.059 -0.712 0.000 0.987 294 L HN 0.285 nan 8.230 nan 0.000 0.468 295 F N -1.096 118.675 119.950 -0.298 0.000 2.710 295 F HA 0.047 4.574 4.527 -0.001 0.000 0.298 295 F C 0.955 176.672 175.800 -0.138 0.000 1.137 295 F CA -0.115 57.731 58.000 -0.257 0.000 1.444 295 F CB -0.259 38.481 39.000 -0.432 0.000 1.111 295 F HN -0.063 nan 8.300 nan 0.000 0.580 296 F N 1.959 121.833 119.950 -0.127 0.000 2.607 296 F HA -0.012 4.514 4.527 -0.001 0.000 0.374 296 F C 1.245 176.995 175.800 -0.083 0.000 1.104 296 F CA -0.126 57.826 58.000 -0.080 0.000 1.296 296 F CB 0.149 38.989 39.000 -0.266 0.000 1.085 296 F HN 0.085 nan 8.300 nan 0.000 0.584 297 N N 3.305 121.437 118.700 -0.946 0.000 2.740 297 N HA -0.301 4.438 4.740 -0.001 0.000 0.248 297 N C -0.055 175.216 175.510 -0.399 0.000 1.062 297 N CA 1.383 53.977 53.050 -0.760 0.000 0.704 297 N CB -1.043 36.967 38.487 -0.795 0.000 0.968 297 N HN 0.761 nan 8.380 nan 0.000 0.547 298 Q N -2.353 117.299 119.800 -0.246 0.000 2.494 298 Q HA -0.162 4.178 4.340 -0.001 0.000 0.266 298 Q C 1.141 177.064 176.000 -0.129 0.000 1.053 298 Q CA 2.158 57.889 55.803 -0.120 0.000 1.029 298 Q CB -1.837 26.832 28.738 -0.115 0.000 1.423 298 Q HN 1.195 nan 8.270 nan 0.000 0.516 299 G N -0.968 107.726 108.800 -0.178 0.000 2.168 299 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.263 299 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.263 299 G C 0.143 174.772 174.900 -0.451 0.000 0.977 299 G CA 0.448 45.397 45.100 -0.252 0.000 0.659 299 G HN 0.455 nan 8.290 nan 0.000 0.533 300 Q N 0.018 119.496 119.800 -0.537 0.000 3.122 300 Q HA 0.455 4.795 4.340 -0.001 0.000 0.360 300 Q C -0.066 175.402 176.000 -0.887 0.000 1.300 300 Q CA -0.140 55.020 55.803 -1.073 0.000 0.982 300 Q CB 0.258 28.696 28.738 -0.500 0.000 1.534 300 Q HN 0.455 nan 8.270 nan 0.000 0.474 301 C N -0.816 118.113 119.300 -0.619 0.000 2.408 301 C HA 0.248 4.707 4.460 -0.001 0.000 0.321 301 C C 1.683 176.737 174.990 0.106 0.000 1.245 301 C CA -0.958 58.032 59.018 -0.048 0.000 1.523 301 C CB 0.961 28.791 27.740 0.151 0.000 2.178 301 C HN 0.752 nan 8.230 nan 0.000 0.488 302 C N 0.796 120.289 119.300 0.323 0.000 2.419 302 C HA -0.112 4.348 4.460 -0.001 0.000 0.281 302 C C 2.146 177.294 174.990 0.264 0.000 1.336 302 C CA 1.019 60.246 59.018 0.348 0.000 1.770 302 C CB -1.619 26.280 27.740 0.267 0.000 1.929 302 C HN 1.011 nan 8.230 nan 0.000 0.509 303 C N 0.493 120.000 119.300 0.345 0.000 2.688 303 C HA 0.695 5.154 4.460 -0.001 0.000 0.297 303 C C 1.233 176.476 174.990 0.421 0.000 1.308 303 C CA -1.130 58.140 59.018 0.419 0.000 1.726 303 C CB -2.248 25.910 27.740 0.697 0.000 1.982 303 C HN 0.503 nan 8.230 nan 0.000 0.604 304 A N 1.180 124.142 122.820 0.237 0.000 2.565 304 A HA 0.432 4.751 4.320 -0.001 0.000 0.237 304 A C 1.147 178.791 177.584 0.100 0.000 1.053 304 A CA 0.866 52.965 52.037 0.102 0.000 0.755 304 A CB -0.133 18.830 19.000 -0.062 0.000 0.980 304 A HN 1.183 nan 8.150 nan 0.000 0.506 305 G N 1.554 110.295 108.800 -0.098 0.000 2.916 305 G HA2 0.336 4.295 3.960 -0.001 0.000 0.280 305 G HA3 0.336 4.295 3.960 -0.001 0.000 0.280 305 G C 0.874 175.689 174.900 -0.143 0.000 0.758 305 G CA 0.389 45.404 45.100 -0.141 0.000 1.993 305 G HN 1.205 nan 8.290 nan 0.000 0.564 306 S N 0.858 116.518 115.700 -0.066 0.000 2.575 306 S HA 0.218 4.688 4.470 -0.001 0.000 0.215 306 S C 0.919 175.459 174.600 -0.099 0.000 0.966 306 S CA -0.389 57.745 58.200 -0.110 0.000 0.911 306 S CB 0.500 63.642 63.200 -0.097 0.000 0.780 306 S HN 0.403 nan 8.310 nan 0.000 0.514 307 R N 1.737 122.193 120.500 -0.074 0.000 2.472 307 R HA 0.311 4.651 4.340 -0.001 0.000 0.294 307 R C -1.257 174.932 176.300 -0.185 0.000 1.243 307 R CA -0.104 55.890 56.100 -0.177 0.000 1.023 307 R CB 1.378 31.603 30.300 -0.124 0.000 1.157 307 R HN 0.124 nan 8.270 nan 0.000 0.530 308 T N 4.097 118.532 114.554 -0.198 0.000 2.794 308 T HA 0.256 4.606 4.350 -0.001 0.000 0.304 308 T C -0.167 174.448 174.700 -0.143 0.000 0.973 308 T CA -0.041 61.998 62.100 -0.101 0.000 0.972 308 T CB -0.154 68.694 68.868 -0.034 0.000 0.952 308 T HN 0.184 nan 8.240 nan 0.000 0.509 309 F N 2.647 122.626 119.950 0.049 0.000 2.424 309 F HA 0.426 4.953 4.527 -0.001 0.000 0.356 309 F C 0.366 176.319 175.800 0.254 0.000 1.110 309 F CA -0.676 57.418 58.000 0.157 0.000 1.161 309 F CB 0.839 39.842 39.000 0.005 0.000 1.115 309 F HN 0.178 nan 8.300 nan 0.000 0.507 310 V N 4.044 124.217 119.914 0.433 0.000 2.487 310 V HA 0.238 4.357 4.120 -0.001 0.000 0.298 310 V C -0.091 175.958 176.094 -0.074 0.000 1.028 310 V CA -1.085 61.284 62.300 0.114 0.000 0.860 310 V CB 1.508 33.194 31.823 -0.229 0.000 0.991 310 V HN 0.566 nan 8.190 nan 0.000 0.427 311 Q N 3.174 122.707 119.800 -0.444 0.000 2.361 311 Q HA 0.011 4.351 4.340 -0.001 0.000 0.276 311 Q C 1.441 177.228 176.000 -0.356 0.000 1.022 311 Q CA 0.390 55.637 55.803 -0.927 0.000 0.898 311 Q CB 1.123 29.505 28.738 -0.594 0.000 1.246 311 Q HN 1.013 nan 8.270 nan 0.000 0.410 312 E N 2.741 122.737 120.200 -0.340 0.000 2.130 312 E HA -0.259 4.091 4.350 -0.001 0.000 0.196 312 E C 0.326 176.908 176.600 -0.030 0.000 0.998 312 E CA 1.647 57.966 56.400 -0.136 0.000 0.806 312 E CB 0.003 29.614 29.700 -0.149 0.000 0.738 312 E HN 0.545 nan 8.360 nan 0.000 0.459 313 D N 1.101 121.467 120.400 -0.056 0.000 2.263 313 D HA -0.110 4.530 4.640 -0.001 0.000 0.208 313 D C 1.952 178.273 176.300 0.036 0.000 0.971 313 D CA 1.392 55.388 54.000 -0.006 0.000 0.867 313 D CB -0.061 40.730 40.800 -0.016 0.000 0.929 313 D HN 0.642 nan 8.370 nan 0.000 0.492 314 I N -3.982 116.617 120.570 0.048 0.000 4.240 314 I HA 0.177 4.347 4.170 -0.001 0.000 0.331 314 I C 1.762 177.962 176.117 0.139 0.000 1.381 314 I CA -0.548 60.805 61.300 0.089 0.000 1.136 314 I CB -0.101 37.951 38.000 0.087 0.000 1.137 314 I HN -0.241 nan 8.210 nan 0.000 0.411 315 Y N 3.056 123.362 120.300 0.011 0.000 2.081 315 Y HA -0.324 4.226 4.550 -0.001 0.000 0.280 315 Y C 2.111 178.075 175.900 0.108 0.000 1.163 315 Y CA 2.423 60.547 58.100 0.040 0.000 1.135 315 Y CB -0.135 38.322 38.460 -0.005 0.000 0.970 315 Y HN 0.202 nan 8.280 nan 0.000 0.498 316 D N 0.007 120.539 120.400 0.220 0.000 2.104 316 D HA -0.224 4.416 4.640 -0.001 0.000 0.194 316 D C 2.113 178.432 176.300 0.031 0.000 0.994 316 D CA 1.787 55.861 54.000 0.123 0.000 0.830 316 D CB -0.483 40.403 40.800 0.143 0.000 0.959 316 D HN 0.624 nan 8.370 nan 0.000 0.452 317 E N -0.466 119.769 120.200 0.059 0.000 2.051 317 E HA -0.174 4.176 4.350 -0.001 0.000 0.192 317 E C 2.126 178.738 176.600 0.019 0.000 0.991 317 E CA 0.471 56.893 56.400 0.037 0.000 0.799 317 E CB -0.232 29.501 29.700 0.055 0.000 0.748 317 E HN 0.215 nan 8.360 nan 0.000 0.449 318 F N 0.846 120.740 119.950 -0.093 0.000 2.095 318 F HA -0.241 4.286 4.527 -0.001 0.000 0.298 318 F C 2.092 177.793 175.800 -0.165 0.000 1.104 318 F CA 1.440 59.370 58.000 -0.117 0.000 1.232 318 F CB -0.183 38.747 39.000 -0.117 0.000 0.987 318 F HN -0.106 nan 8.300 nan 0.000 0.475 319 V N 0.328 120.216 119.914 -0.043 0.000 2.295 319 V HA -0.307 3.812 4.120 -0.001 0.000 0.246 319 V C 2.290 178.310 176.094 -0.124 0.000 1.049 319 V CA 2.284 64.501 62.300 -0.139 0.000 1.024 319 V CB -0.745 30.903 31.823 -0.293 0.000 0.648 319 V HN 0.352 nan 8.190 nan 0.000 0.447 320 E N -0.103 120.039 120.200 -0.096 0.000 2.049 320 E HA -0.289 4.060 4.350 -0.001 0.000 0.198 320 E C 2.494 179.024 176.600 -0.117 0.000 1.007 320 E CA 1.824 58.176 56.400 -0.080 0.000 0.809 320 E CB -0.156 29.514 29.700 -0.051 0.000 0.749 320 E HN 0.505 nan 8.360 nan 0.000 0.450 321 R N -0.002 120.399 120.500 -0.165 0.000 2.096 321 R HA -0.056 4.283 4.340 -0.001 0.000 0.235 321 R C 2.579 178.733 176.300 -0.242 0.000 1.127 321 R CA 1.274 57.253 56.100 -0.201 0.000 0.968 321 R CB -0.111 30.047 30.300 -0.237 0.000 0.861 321 R HN -0.000 nan 8.270 nan 0.000 0.440 322 S N 0.094 115.609 115.700 -0.308 0.000 2.356 322 S HA -0.104 4.366 4.470 -0.001 0.000 0.223 322 S C 2.056 176.599 174.600 -0.095 0.000 1.032 322 S CA 1.220 59.281 58.200 -0.232 0.000 1.005 322 S CB -0.139 62.918 63.200 -0.238 0.000 0.867 322 S HN 0.064 nan 8.310 nan 0.000 0.449 323 V N 2.025 121.886 119.914 -0.088 0.000 2.343 323 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 323 V C 2.621 178.667 176.094 -0.080 0.000 1.051 323 V CA 1.745 64.010 62.300 -0.058 0.000 1.036 323 V CB -1.178 30.613 31.823 -0.053 0.000 0.654 323 V HN 0.539 nan 8.190 nan 0.000 0.451 324 A N 0.283 123.042 122.820 -0.101 0.000 1.877 324 A HA -0.260 4.059 4.320 -0.001 0.000 0.216 324 A C 2.300 179.799 177.584 -0.142 0.000 1.186 324 A CA 2.166 54.138 52.037 -0.108 0.000 0.620 324 A CB -0.540 18.397 19.000 -0.105 0.000 0.822 324 A HN 0.461 nan 8.150 nan 0.000 0.443 325 R N 0.252 120.641 120.500 -0.185 0.000 2.081 325 R HA -0.010 4.329 4.340 -0.001 0.000 0.235 325 R C 2.092 178.203 176.300 -0.314 0.000 1.131 325 R CA 1.955 57.874 56.100 -0.301 0.000 0.960 325 R CB -0.907 29.155 30.300 -0.395 0.000 0.856 325 R HN 0.389 nan 8.270 nan 0.000 0.436 326 A N 0.521 123.248 122.820 -0.155 0.000 1.898 326 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 326 A C 2.020 179.504 177.584 -0.166 0.000 1.181 326 A CA 1.568 53.512 52.037 -0.155 0.000 0.620 326 A CB -0.393 18.558 19.000 -0.082 0.000 0.819 326 A HN 0.370 nan 8.150 nan 0.000 0.442 327 K N 0.282 120.608 120.400 -0.123 0.000 2.147 327 K HA -0.105 4.214 4.320 -0.001 0.000 0.205 327 K C 2.091 178.628 176.600 -0.105 0.000 1.049 327 K CA 1.519 57.745 56.287 -0.100 0.000 0.936 327 K CB -0.120 32.331 32.500 -0.080 0.000 0.722 327 K HN 0.661 nan 8.250 nan 0.000 0.446 328 S N 0.373 115.997 115.700 -0.127 0.000 2.558 328 S HA 0.002 4.472 4.470 -0.001 0.000 0.217 328 S C 0.757 175.287 174.600 -0.117 0.000 0.975 328 S CA -0.334 57.797 58.200 -0.116 0.000 0.912 328 S CB -0.016 63.109 63.200 -0.125 0.000 0.776 328 S HN 0.137 nan 8.310 nan 0.000 0.526 329 R N 1.686 122.104 120.500 -0.137 0.000 2.449 329 R HA 0.236 4.575 4.340 -0.001 0.000 0.296 329 R C -1.066 175.192 176.300 -0.070 0.000 1.047 329 R CA -0.110 55.926 56.100 -0.107 0.000 1.018 329 R CB 0.346 30.566 30.300 -0.134 0.000 0.962 329 R HN 0.168 nan 8.270 nan 0.000 0.428 330 V N 6.578 126.467 119.914 -0.041 0.000 2.389 330 V HA 0.117 4.237 4.120 -0.001 0.000 0.264 330 V C 0.068 176.158 176.094 -0.008 0.000 1.049 330 V CA -0.353 61.929 62.300 -0.029 0.000 0.932 330 V CB 1.158 32.968 31.823 -0.022 0.000 1.011 330 V HN 0.488 nan 8.190 nan 0.000 0.475 331 V N 5.060 124.968 119.914 -0.011 0.000 2.481 331 V HA 0.989 5.109 4.120 -0.001 0.000 0.286 331 V C 0.746 176.814 176.094 -0.044 0.000 1.042 331 V CA 0.619 62.936 62.300 0.028 0.000 0.928 331 V CB 0.981 32.837 31.823 0.055 0.000 0.986 331 V HN 1.105 nan 8.190 nan 0.000 0.462 332 G N 3.374 112.167 108.800 -0.011 0.000 2.367 332 G HA2 0.073 4.032 3.960 -0.001 0.000 0.272 332 G HA3 0.073 4.032 3.960 -0.001 0.000 0.272 332 G C -0.964 173.948 174.900 0.020 0.000 1.271 332 G CA -0.809 44.186 45.100 -0.175 0.000 0.893 332 G HN 0.620 nan 8.290 nan 0.000 0.485 333 N N 1.864 120.550 118.700 -0.023 0.000 2.417 333 N HA 0.195 4.935 4.740 -0.001 0.000 0.272 333 N C -0.898 174.668 175.510 0.094 0.000 1.304 333 N CA -1.267 51.836 53.050 0.089 0.000 0.906 333 N CB 1.431 39.957 38.487 0.065 0.000 1.135 333 N HN 0.076 nan 8.380 nan 0.000 0.483 334 P HA -0.112 nan 4.420 nan 0.000 0.221 334 P C 0.825 178.042 177.300 -0.137 0.000 1.145 334 P CA 1.233 64.286 63.100 -0.078 0.000 0.795 334 P CB -0.051 31.518 31.700 -0.218 0.000 0.775 335 F N -0.623 119.358 119.950 0.052 0.000 2.710 335 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 335 F C 1.286 177.096 175.800 0.017 0.000 1.137 335 F CA 0.145 58.153 58.000 0.014 0.000 1.444 335 F CB -0.101 38.858 39.000 -0.068 0.000 1.111 335 F HN -0.125 nan 8.300 nan 0.000 0.580 336 D N 0.290 120.787 120.400 0.161 0.000 2.312 336 D HA -0.014 4.626 4.640 -0.001 0.000 0.252 336 D C 1.260 177.614 176.300 0.090 0.000 1.150 336 D CA 0.265 54.325 54.000 0.099 0.000 0.870 336 D CB 1.453 42.286 40.800 0.055 0.000 1.153 336 D HN 0.147 nan 8.370 nan 0.000 0.457 337 S N 3.596 119.349 115.700 0.087 0.000 2.465 337 S HA -0.161 4.309 4.470 -0.001 0.000 0.241 337 S C 1.371 176.003 174.600 0.053 0.000 1.000 337 S CA 0.839 59.088 58.200 0.082 0.000 0.964 337 S CB 0.004 63.246 63.200 0.070 0.000 0.763 337 S HN 0.503 nan 8.310 nan 0.000 0.512 338 K N 0.793 121.215 120.400 0.037 0.000 2.400 338 K HA 0.128 4.447 4.320 -0.001 0.000 0.194 338 K C -0.005 176.607 176.600 0.020 0.000 1.033 338 K CA 0.286 56.586 56.287 0.021 0.000 1.021 338 K CB 0.026 32.530 32.500 0.007 0.000 0.808 338 K HN 0.277 nan 8.250 nan 0.000 0.505 339 T N 1.660 116.231 114.554 0.029 0.000 2.834 339 T HA 0.041 4.390 4.350 -0.001 0.000 0.298 339 T C 0.763 175.483 174.700 0.032 0.000 0.966 339 T CA 0.256 62.373 62.100 0.028 0.000 1.141 339 T CB 1.093 69.984 68.868 0.038 0.000 0.905 339 T HN 0.175 nan 8.240 nan 0.000 0.535 340 E N 1.845 122.064 120.200 0.031 0.000 2.307 340 E HA 0.048 4.397 4.350 -0.001 0.000 0.195 340 E C 0.795 177.415 176.600 0.033 0.000 0.975 340 E CA 0.251 56.677 56.400 0.043 0.000 0.878 340 E CB 0.540 30.270 29.700 0.050 0.000 0.845 340 E HN 0.544 nan 8.360 nan 0.000 0.488 341 Q N 0.177 120.000 119.800 0.038 0.000 2.274 341 Q HA 0.402 4.742 4.340 -0.001 0.000 0.268 341 Q C -0.556 175.506 176.000 0.104 0.000 1.015 341 Q CA -0.612 55.216 55.803 0.041 0.000 0.775 341 Q CB 1.714 30.483 28.738 0.051 0.000 1.256 341 Q HN 0.137 nan 8.270 nan 0.000 0.442 342 G N 3.196 112.023 108.800 0.045 0.000 2.509 342 G HA2 0.552 4.511 3.960 -0.001 0.000 0.269 342 G HA3 0.552 4.511 3.960 -0.001 0.000 0.269 342 G C -2.496 172.340 174.900 -0.106 0.000 1.416 342 G CA -0.944 44.201 45.100 0.075 0.000 1.052 342 G HN 0.551 nan 8.290 nan 0.000 0.542 343 P HA 0.191 nan 4.420 nan 0.000 0.276 343 P C -0.692 176.421 177.300 -0.312 0.000 1.252 343 P CA -0.452 62.124 63.100 -0.873 0.000 0.802 343 P CB 0.891 31.868 31.700 -1.205 0.000 1.035 344 Q N 0.184 119.902 119.800 -0.136 0.000 2.492 344 Q HA 0.038 4.378 4.340 -0.001 0.000 0.238 344 Q C 1.321 177.227 176.000 -0.156 0.000 1.045 344 Q CA -0.243 55.524 55.803 -0.061 0.000 0.934 344 Q CB 0.071 28.852 28.738 0.071 0.000 1.276 344 Q HN 0.204 nan 8.270 nan 0.000 0.521 345 V N 0.396 120.145 119.914 -0.275 0.000 2.515 345 V HA -0.181 3.939 4.120 -0.001 0.000 0.250 345 V C 0.270 176.078 176.094 -0.476 0.000 1.058 345 V CA 2.538 64.580 62.300 -0.430 0.000 1.064 345 V CB -0.093 31.206 31.823 -0.873 0.000 0.675 345 V HN 0.985 nan 8.190 nan 0.000 0.461 346 D N -3.345 116.688 120.400 -0.612 0.000 2.713 346 D HA 0.090 4.730 4.640 -0.001 0.000 0.306 346 D C 0.643 176.281 176.300 -1.103 0.000 1.299 346 D CA -0.060 53.437 54.000 -0.837 0.000 0.823 346 D CB 0.608 41.070 40.800 -0.564 0.000 1.353 346 D HN -0.041 nan 8.370 nan 0.000 0.447 347 E N -0.697 118.828 120.200 -1.126 0.000 2.106 347 E HA -0.136 4.213 4.350 -0.001 0.000 0.192 347 E C 1.146 177.635 176.600 -0.185 0.000 0.984 347 E CA 1.668 57.678 56.400 -0.651 0.000 0.806 347 E CB -0.049 29.491 29.700 -0.266 0.000 0.750 347 E HN 0.521 nan 8.360 nan 0.000 0.458 348 T N 1.191 115.632 114.554 -0.188 0.000 2.684 348 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 348 T C 1.786 176.465 174.700 -0.034 0.000 1.036 348 T CA 1.172 63.226 62.100 -0.077 0.000 1.148 348 T CB -0.138 68.685 68.868 -0.075 0.000 0.863 348 T HN 0.151 nan 8.240 nan 0.000 0.436 349 Q N 0.129 119.879 119.800 -0.083 0.000 2.079 349 Q HA 0.003 4.343 4.340 -0.001 0.000 0.200 349 Q C 2.068 178.114 176.000 0.077 0.000 0.974 349 Q CA 1.068 56.881 55.803 0.017 0.000 0.840 349 Q CB -0.794 27.919 28.738 -0.040 0.000 0.898 349 Q HN 0.529 nan 8.270 nan 0.000 0.430 350 F N 2.084 121.960 119.950 -0.123 0.000 2.063 350 F HA -0.289 4.238 4.527 -0.001 0.000 0.298 350 F C 2.004 177.818 175.800 0.023 0.000 1.109 350 F CA 1.862 59.843 58.000 -0.032 0.000 1.212 350 F CB -0.016 38.964 39.000 -0.035 0.000 0.973 350 F HN 0.014 nan 8.300 nan 0.000 0.480 351 K N -0.189 120.246 120.400 0.058 0.000 2.062 351 K HA -0.138 4.182 4.320 -0.001 0.000 0.205 351 K C 2.184 178.756 176.600 -0.047 0.000 1.051 351 K CA 1.152 57.422 56.287 -0.029 0.000 0.941 351 K CB -0.271 32.256 32.500 0.046 0.000 0.719 351 K HN 0.205 nan 8.250 nan 0.000 0.440 352 K N 1.128 121.530 120.400 0.004 0.000 2.044 352 K HA -0.144 4.175 4.320 -0.001 0.000 0.210 352 K C 2.117 178.775 176.600 0.097 0.000 1.049 352 K CA 1.424 57.724 56.287 0.022 0.000 0.927 352 K CB -0.194 32.374 32.500 0.114 0.000 0.713 352 K HN 0.113 nan 8.250 nan 0.000 0.443 353 I N 1.072 121.717 120.570 0.125 0.000 2.179 353 I HA -0.313 3.856 4.170 -0.001 0.000 0.242 353 I C 2.238 178.403 176.117 0.080 0.000 1.088 353 I CA 1.153 62.551 61.300 0.163 0.000 1.357 353 I CB -0.310 37.744 38.000 0.090 0.000 1.051 353 I HN 0.127 nan 8.210 nan 0.000 0.409 354 L N 0.579 121.756 121.223 -0.077 0.000 2.079 354 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 354 L C 2.698 179.553 176.870 -0.026 0.000 1.081 354 L CA 1.621 56.405 54.840 -0.093 0.000 0.752 354 L CB -1.238 40.688 42.059 -0.222 0.000 0.896 354 L HN 0.354 nan 8.230 nan 0.000 0.433 355 G N -1.137 107.629 108.800 -0.057 0.000 2.440 355 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.218 355 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.218 355 G C 1.393 176.236 174.900 -0.094 0.000 1.154 355 G CA 0.654 45.691 45.100 -0.106 0.000 0.767 355 G HN 0.311 nan 8.290 nan 0.000 0.552 356 Y N 0.365 120.672 120.300 0.011 0.000 2.200 356 Y HA 0.006 4.555 4.550 -0.001 0.000 0.290 356 Y C 2.793 178.711 175.900 0.030 0.000 1.137 356 Y CA 0.628 58.736 58.100 0.013 0.000 1.163 356 Y CB -0.075 38.401 38.460 0.027 0.000 0.988 356 Y HN 0.103 nan 8.280 nan 0.000 0.518 357 I N 0.146 120.869 120.570 0.254 0.000 2.151 357 I HA -0.393 3.777 4.170 -0.001 0.000 0.243 357 I C 2.474 178.737 176.117 0.244 0.000 1.080 357 I CA 1.548 63.036 61.300 0.314 0.000 1.339 357 I CB -0.473 37.670 38.000 0.238 0.000 1.039 357 I HN 0.371 nan 8.210 nan 0.000 0.409 358 N N 0.335 119.110 118.700 0.125 0.000 2.120 358 N HA -0.172 4.568 4.740 -0.001 0.000 0.188 358 N C 1.738 177.277 175.510 0.049 0.000 1.024 358 N CA 2.035 55.133 53.050 0.079 0.000 0.852 358 N CB 0.043 38.547 38.487 0.029 0.000 1.003 358 N HN 0.310 nan 8.380 nan 0.000 0.424 359 T N -0.255 114.313 114.554 0.023 0.000 2.759 359 T HA -0.084 4.266 4.350 -0.001 0.000 0.269 359 T C 1.764 176.428 174.700 -0.059 0.000 1.042 359 T CA 1.314 63.411 62.100 -0.006 0.000 1.140 359 T CB -0.668 68.209 68.868 0.015 0.000 0.864 359 T HN 0.425 nan 8.240 nan 0.000 0.455 360 G N 1.745 110.459 108.800 -0.144 0.000 2.421 360 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.216 360 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.216 360 G C 1.615 176.383 174.900 -0.219 0.000 1.171 360 G CA 0.551 45.355 45.100 -0.494 0.000 0.775 360 G HN 0.410 nan 8.290 nan 0.000 0.543 361 K N -0.189 120.258 120.400 0.079 0.000 2.032 361 K HA -0.151 4.169 4.320 -0.001 0.000 0.209 361 K C 2.614 179.254 176.600 0.067 0.000 1.048 361 K CA 1.554 57.942 56.287 0.168 0.000 0.927 361 K CB -0.216 32.389 32.500 0.176 0.000 0.712 361 K HN 0.228 nan 8.250 nan 0.000 0.441 362 Q N 1.144 120.963 119.800 0.032 0.000 2.135 362 Q HA -0.148 4.191 4.340 -0.001 0.000 0.204 362 Q C 1.165 177.168 176.000 0.004 0.000 0.981 362 Q CA 1.566 57.379 55.803 0.017 0.000 0.856 362 Q CB 0.164 28.906 28.738 0.006 0.000 0.902 362 Q HN 0.306 nan 8.270 nan 0.000 0.425 363 E N -2.032 118.156 120.200 -0.020 0.000 2.489 363 E HA 0.137 4.486 4.350 -0.001 0.000 0.193 363 E C 0.436 177.027 176.600 -0.016 0.000 1.057 363 E CA 0.361 56.745 56.400 -0.026 0.000 0.866 363 E CB 0.436 30.105 29.700 -0.050 0.000 0.916 363 E HN 0.486 nan 8.360 nan 0.000 0.500 364 G N 1.167 109.969 108.800 0.002 0.000 2.131 364 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.223 364 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.223 364 G C 0.276 175.202 174.900 0.043 0.000 0.990 364 G CA -0.060 45.057 45.100 0.028 0.000 0.671 364 G HN 0.418 nan 8.290 nan 0.000 0.521 365 A N 0.085 122.919 122.820 0.024 0.000 2.407 365 A HA 0.616 4.936 4.320 -0.001 0.000 0.248 365 A C 0.678 178.426 177.584 0.273 0.000 1.082 365 A CA 0.111 52.203 52.037 0.091 0.000 0.785 365 A CB 0.403 19.338 19.000 -0.109 0.000 1.020 365 A HN 0.330 nan 8.150 nan 0.000 0.489 366 K N 1.586 122.149 120.400 0.271 0.000 2.315 366 K HA 0.155 4.474 4.320 -0.001 0.000 0.291 366 K C -0.684 176.056 176.600 0.233 0.000 1.074 366 K CA -0.300 56.121 56.287 0.224 0.000 0.936 366 K CB 0.267 32.860 32.500 0.155 0.000 1.049 366 K HN 0.555 nan 8.250 nan 0.000 0.471 367 L N 5.727 127.039 121.223 0.147 0.000 2.456 367 L HA 0.016 4.356 4.340 -0.001 0.000 0.277 367 L C 0.435 177.239 176.870 -0.109 0.000 1.124 367 L CA 0.678 55.416 54.840 -0.170 0.000 0.880 367 L CB 0.208 42.181 42.059 -0.142 0.000 1.192 367 L HN 0.683 nan 8.230 nan 0.000 0.463 368 L N 4.869 126.007 121.223 -0.142 0.000 2.463 368 L HA 0.228 4.568 4.340 -0.001 0.000 0.219 368 L C 0.413 177.235 176.870 -0.080 0.000 1.088 368 L CA 0.172 54.971 54.840 -0.068 0.000 0.849 368 L CB -0.061 41.979 42.059 -0.032 0.000 1.012 368 L HN 0.841 nan 8.230 nan 0.000 0.468 369 C N -3.467 115.758 119.300 -0.124 0.000 3.253 369 C HA 0.705 5.164 4.460 -0.001 0.000 0.342 369 C C 0.725 175.648 174.990 -0.113 0.000 1.306 369 C CA -0.663 58.299 59.018 -0.094 0.000 1.207 369 C CB 0.757 28.458 27.740 -0.065 0.000 1.479 369 C HN 0.603 nan 8.230 nan 0.000 0.469 370 G N 0.741 109.497 108.800 -0.074 0.000 2.566 370 G HA2 0.354 4.314 3.960 -0.001 0.000 0.280 370 G HA3 0.354 4.314 3.960 -0.001 0.000 0.280 370 G C 1.332 176.189 174.900 -0.071 0.000 1.225 370 G CA 2.359 47.426 45.100 -0.055 0.000 0.966 370 G HN 3.374 nan 8.290 nan 0.000 0.560 371 G N -2.191 106.575 108.800 -0.057 0.000 2.184 371 G HA2 0.484 4.443 3.960 -0.001 0.000 0.206 371 G HA3 0.484 4.443 3.960 -0.001 0.000 0.206 371 G C 1.322 176.221 174.900 -0.001 0.000 0.995 371 G CA 0.889 45.961 45.100 -0.048 0.000 0.651 371 G HN 2.613 nan 8.290 nan 0.000 0.511 372 G N -1.005 107.798 108.800 0.006 0.000 2.788 372 G HA2 0.667 4.626 3.960 -0.001 0.000 0.293 372 G HA3 0.667 4.626 3.960 -0.001 0.000 0.293 372 G C -0.334 174.590 174.900 0.040 0.000 1.392 372 G CA -0.768 44.341 45.100 0.015 0.000 0.810 372 G HN 0.611 nan 8.290 nan 0.000 0.508 373 I N 0.905 121.515 120.570 0.066 0.000 2.752 373 I HA 0.246 4.415 4.170 -0.001 0.000 0.287 373 I C 1.438 177.646 176.117 0.151 0.000 1.188 373 I CA 0.265 61.664 61.300 0.166 0.000 1.427 373 I CB 1.612 39.756 38.000 0.240 0.000 1.365 373 I HN 0.576 nan 8.210 nan 0.000 0.585 374 A N 4.741 127.683 122.820 0.204 0.000 2.288 374 A HA 0.721 5.040 4.320 -0.001 0.000 0.216 374 A C 0.627 178.243 177.584 0.053 0.000 1.199 374 A CA 0.618 52.730 52.037 0.124 0.000 0.891 374 A CB 0.203 19.297 19.000 0.156 0.000 0.923 374 A HN 0.815 nan 8.150 nan 0.000 0.500 375 A N -0.307 122.569 122.820 0.093 0.000 2.564 375 A HA 0.539 4.858 4.320 -0.001 0.000 0.291 375 A C -0.843 176.768 177.584 0.045 0.000 1.102 375 A CA 0.147 52.176 52.037 -0.013 0.000 0.660 375 A CB 0.095 18.969 19.000 -0.210 0.000 1.283 375 A HN 0.168 nan 8.150 nan 0.000 0.430 376 D N -0.690 119.705 120.400 -0.009 0.000 2.398 376 D HA 0.273 4.912 4.640 -0.001 0.000 0.210 376 D C 0.421 176.695 176.300 -0.044 0.000 1.094 376 D CA 0.108 54.105 54.000 -0.004 0.000 0.839 376 D CB 0.332 41.128 40.800 -0.007 0.000 0.963 376 D HN 0.378 nan 8.370 nan 0.000 0.506 377 R N 0.268 120.736 120.500 -0.052 0.000 2.686 377 R HA 0.605 4.945 4.340 -0.001 0.000 0.286 377 R C 0.231 176.501 176.300 -0.050 0.000 0.969 377 R CA -0.330 55.716 56.100 -0.090 0.000 0.898 377 R CB 2.083 32.340 30.300 -0.070 0.000 1.183 377 R HN 0.178 nan 8.270 nan 0.000 0.456 378 G N 1.063 109.672 108.800 -0.318 0.000 2.782 378 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.228 378 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.228 378 G C -0.898 173.496 174.900 -0.843 0.000 1.372 378 G CA -0.547 44.220 45.100 -0.555 0.000 0.862 378 G HN 0.642 nan 8.290 nan 0.000 0.547 379 Y N -0.190 119.792 120.300 -0.530 0.000 2.696 379 Y HA 0.548 5.097 4.550 -0.001 0.000 0.378 379 Y C 0.561 176.325 175.900 -0.227 0.000 1.012 379 Y CA -0.726 56.963 58.100 -0.685 0.000 1.396 379 Y CB 0.098 38.237 38.460 -0.535 0.000 1.415 379 Y HN 0.354 nan 8.280 nan 0.000 0.569 380 F N 1.630 121.660 119.950 0.134 0.000 2.396 380 F HA 0.482 5.009 4.527 -0.001 0.000 0.343 380 F C 0.282 176.277 175.800 0.324 0.000 1.104 380 F CA -0.758 57.358 58.000 0.194 0.000 1.161 380 F CB 0.717 39.759 39.000 0.069 0.000 1.146 380 F HN 0.018 nan 8.300 nan 0.000 0.522 381 I N 2.367 123.161 120.570 0.374 0.000 2.545 381 I HA 0.228 4.398 4.170 -0.001 0.000 0.292 381 I C -0.586 175.632 176.117 0.168 0.000 1.040 381 I CA -1.062 60.380 61.300 0.237 0.000 1.068 381 I CB 2.078 40.166 38.000 0.146 0.000 1.251 381 I HN 0.515 nan 8.210 nan 0.000 0.424 382 Q N 5.728 125.596 119.800 0.114 0.000 2.330 382 Q HA 0.149 4.488 4.340 -0.001 0.000 0.279 382 Q C -2.284 173.761 176.000 0.074 0.000 1.024 382 Q CA -1.512 54.332 55.803 0.069 0.000 0.900 382 Q CB 0.035 28.793 28.738 0.033 0.000 1.221 382 Q HN 0.238 nan 8.270 nan 0.000 0.396 383 P HA -0.072 nan 4.420 nan 0.000 0.261 383 P C -1.045 176.314 177.300 0.099 0.000 1.183 383 P CA 0.617 63.754 63.100 0.063 0.000 0.761 383 P CB 0.555 32.093 31.700 -0.270 0.000 0.785 384 T N 2.850 117.540 114.554 0.226 0.000 2.861 384 T HA 0.481 4.831 4.350 -0.001 0.000 0.287 384 T C -0.575 174.158 174.700 0.055 0.000 1.003 384 T CA -0.435 61.691 62.100 0.044 0.000 0.977 384 T CB 1.143 70.000 68.868 -0.019 0.000 0.996 384 T HN -0.053 nan 8.240 nan 0.000 0.448 385 V N 3.696 123.551 119.914 -0.099 0.000 2.531 385 V HA 0.539 4.659 4.120 -0.001 0.000 0.301 385 V C -1.091 174.871 176.094 -0.220 0.000 1.034 385 V CA -0.895 61.374 62.300 -0.052 0.000 0.865 385 V CB 1.302 33.148 31.823 0.037 0.000 0.995 385 V HN 0.830 nan 8.190 nan 0.000 0.424 386 F N 2.411 122.385 119.950 0.041 0.000 2.436 386 F HA 0.769 5.295 4.527 -0.001 0.000 0.340 386 F C 0.951 176.782 175.800 0.051 0.000 1.113 386 F CA -0.214 57.811 58.000 0.040 0.000 1.022 386 F CB 2.008 41.024 39.000 0.026 0.000 1.128 386 F HN 0.598 nan 8.300 nan 0.000 0.466 387 G N 0.573 109.526 108.800 0.256 0.000 2.509 387 G HA2 0.367 4.326 3.960 -0.001 0.000 0.328 387 G HA3 0.367 4.326 3.960 -0.001 0.000 0.328 387 G C -0.573 174.475 174.900 0.247 0.000 1.194 387 G CA -0.677 44.567 45.100 0.240 0.000 0.967 387 G HN 0.694 nan 8.290 nan 0.000 0.488 388 D N -1.208 119.364 120.400 0.287 0.000 2.751 388 D HA -0.164 4.476 4.640 -0.001 0.000 0.233 388 D C 0.657 177.013 176.300 0.094 0.000 1.149 388 D CA 0.661 54.751 54.000 0.150 0.000 0.682 388 D CB -1.277 39.591 40.800 0.113 0.000 1.068 388 D HN 0.204 nan 8.370 nan 0.000 0.429 389 V N 0.812 120.781 119.914 0.091 0.000 2.637 389 V HA 0.013 4.133 4.120 -0.001 0.000 0.296 389 V C 0.911 177.007 176.094 0.004 0.000 1.046 389 V CA 0.213 62.527 62.300 0.024 0.000 1.066 389 V CB 1.573 33.393 31.823 -0.006 0.000 0.968 389 V HN 0.051 nan 8.190 nan 0.000 0.483 390 Q N 2.167 121.965 119.800 -0.004 0.000 2.301 390 Q HA 0.330 4.669 4.340 -0.001 0.000 0.267 390 Q C 0.414 176.423 176.000 0.014 0.000 1.035 390 Q CA -0.760 55.051 55.803 0.013 0.000 0.856 390 Q CB 1.554 30.302 28.738 0.015 0.000 1.337 390 Q HN 0.651 nan 8.270 nan 0.000 0.450 391 D N 1.202 121.631 120.400 0.048 0.000 2.182 391 D HA -0.113 4.527 4.640 -0.001 0.000 0.201 391 D C 1.492 177.816 176.300 0.039 0.000 0.986 391 D CA 1.551 55.589 54.000 0.063 0.000 0.847 391 D CB -0.015 40.846 40.800 0.101 0.000 0.942 391 D HN 0.821 nan 8.370 nan 0.000 0.467 392 G N -0.235 108.582 108.800 0.028 0.000 2.650 392 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.214 392 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.214 392 G C 0.769 175.675 174.900 0.009 0.000 1.136 392 G CA -0.194 44.918 45.100 0.020 0.000 0.789 392 G HN 0.164 nan 8.290 nan 0.000 0.536 393 M N 0.680 120.277 119.600 -0.004 0.000 2.248 393 M HA 0.122 4.602 4.480 -0.001 0.000 0.337 393 M C 1.875 178.167 176.300 -0.014 0.000 1.121 393 M CA -0.063 55.223 55.300 -0.024 0.000 1.155 393 M CB 0.881 33.446 32.600 -0.060 0.000 1.514 393 M HN -0.065 nan 8.290 nan 0.000 0.452 394 T N 2.613 117.166 114.554 -0.003 0.000 2.684 394 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 394 T C 1.526 176.239 174.700 0.022 0.000 1.036 394 T CA 1.874 63.999 62.100 0.042 0.000 1.148 394 T CB -0.440 68.479 68.868 0.084 0.000 0.863 394 T HN 0.776 nan 8.240 nan 0.000 0.436 395 I N -0.316 120.228 120.570 -0.044 0.000 2.916 395 I HA 0.146 4.316 4.170 -0.001 0.000 0.267 395 I C 2.215 178.266 176.117 -0.109 0.000 1.263 395 I CA 0.921 62.151 61.300 -0.116 0.000 1.471 395 I CB -0.375 37.492 38.000 -0.220 0.000 1.089 395 I HN 0.088 nan 8.210 nan 0.000 0.468 396 A N 1.001 123.779 122.820 -0.069 0.000 2.195 396 A HA 0.168 4.488 4.320 -0.001 0.000 0.210 396 A C 2.177 179.764 177.584 0.005 0.000 1.165 396 A CA 0.273 52.282 52.037 -0.047 0.000 0.806 396 A CB -0.075 18.901 19.000 -0.041 0.000 0.847 396 A HN 0.452 nan 8.150 nan 0.000 0.482 397 K N -0.349 120.064 120.400 0.023 0.000 2.367 397 K HA 0.156 4.476 4.320 -0.001 0.000 0.198 397 K C -0.167 176.507 176.600 0.123 0.000 1.132 397 K CA 0.259 56.591 56.287 0.075 0.000 0.941 397 K CB 0.559 33.097 32.500 0.063 0.000 1.052 397 K HN 0.428 nan 8.250 nan 0.000 0.507 398 E N 1.823 122.061 120.200 0.064 0.000 2.204 398 E HA 0.097 4.447 4.350 -0.001 0.000 0.276 398 E C -0.999 175.540 176.600 -0.101 0.000 0.974 398 E CA -0.389 56.054 56.400 0.072 0.000 0.815 398 E CB 1.827 31.603 29.700 0.127 0.000 1.119 398 E HN 0.070 nan 8.360 nan 0.000 0.393 399 E N 3.009 123.177 120.200 -0.053 0.000 2.328 399 E HA -0.007 4.342 4.350 -0.001 0.000 0.265 399 E C 0.256 176.727 176.600 -0.214 0.000 1.057 399 E CA 0.018 56.336 56.400 -0.137 0.000 0.916 399 E CB 0.376 29.988 29.700 -0.147 0.000 0.993 399 E HN 0.527 nan 8.360 nan 0.000 0.446 400 I N 4.426 124.840 120.570 -0.260 0.000 2.494 400 I HA -0.065 4.104 4.170 -0.001 0.000 0.250 400 I C 0.556 176.738 176.117 0.108 0.000 1.112 400 I CA 0.090 61.197 61.300 -0.321 0.000 1.438 400 I CB 0.078 37.889 38.000 -0.316 0.000 1.111 400 I HN 0.693 nan 8.210 nan 0.000 0.431 401 F N 1.393 121.291 119.950 -0.088 0.000 3.074 401 F HA -0.187 4.340 4.527 -0.001 0.000 0.289 401 F C 0.456 176.278 175.800 0.037 0.000 0.863 401 F CA 0.611 58.610 58.000 -0.002 0.000 1.121 401 F CB -1.395 37.648 39.000 0.071 0.000 1.169 401 F HN 0.149 nan 8.300 nan 0.000 0.570 402 G N -1.131 107.681 108.800 0.020 0.000 2.866 402 G HA2 0.661 4.620 3.960 -0.001 0.000 0.289 402 G HA3 0.661 4.620 3.960 -0.001 0.000 0.289 402 G C -2.983 171.888 174.900 -0.049 0.000 1.396 402 G CA -0.951 44.156 45.100 0.012 0.000 0.848 402 G HN -0.213 nan 8.290 nan 0.000 0.515 403 P HA 0.313 nan 4.420 nan 0.000 0.226 403 P C -0.687 176.656 177.300 0.071 0.000 1.783 403 P CA -0.112 63.050 63.100 0.104 0.000 0.980 403 P CB 0.214 32.085 31.700 0.285 0.000 1.967 404 V N 2.324 122.168 119.914 -0.116 0.000 2.447 404 V HA 0.373 4.492 4.120 -0.001 0.000 0.292 404 V C -0.017 175.992 176.094 -0.142 0.000 1.021 404 V CA -0.647 61.639 62.300 -0.023 0.000 0.850 404 V CB 1.951 33.829 31.823 0.092 0.000 1.005 404 V HN 0.274 nan 8.190 nan 0.000 0.426 405 M N 4.048 123.566 119.600 -0.136 0.000 2.264 405 M HA 0.629 5.108 4.480 -0.001 0.000 0.352 405 M C -0.867 175.451 176.300 0.029 0.000 1.173 405 M CA -0.315 54.886 55.300 -0.165 0.000 1.075 405 M CB 1.569 34.051 32.600 -0.197 0.000 1.621 405 M HN 0.630 nan 8.290 nan 0.000 0.457 406 Q N 5.094 124.884 119.800 -0.016 0.000 2.333 406 Q HA 0.588 4.927 4.340 -0.001 0.000 0.265 406 Q C -1.251 174.739 176.000 -0.017 0.000 0.989 406 Q CA 0.007 55.821 55.803 0.018 0.000 0.842 406 Q CB 1.813 30.519 28.738 -0.054 0.000 1.262 406 Q HN 0.702 nan 8.270 nan 0.000 0.451 407 I N 4.117 124.718 120.570 0.051 0.000 2.362 407 I HA 0.401 4.571 4.170 -0.001 0.000 0.289 407 I C -0.919 175.267 176.117 0.115 0.000 0.994 407 I CA -0.904 60.433 61.300 0.061 0.000 1.158 407 I CB 0.839 38.899 38.000 0.100 0.000 1.315 407 I HN 0.329 nan 8.210 nan 0.000 0.451 408 L N 6.335 127.570 121.223 0.019 0.000 2.319 408 L HA 0.567 4.907 4.340 -0.001 0.000 0.267 408 L C -0.171 176.849 176.870 0.250 0.000 1.011 408 L CA -0.542 54.321 54.840 0.038 0.000 0.818 408 L CB 1.472 43.358 42.059 -0.288 0.000 1.316 408 L HN 0.466 nan 8.230 nan 0.000 0.432 409 K N 1.546 122.053 120.400 0.177 0.000 2.259 409 K HA 0.731 5.051 4.320 -0.001 0.000 0.252 409 K C -1.582 175.166 176.600 0.247 0.000 0.936 409 K CA -0.464 55.880 56.287 0.096 0.000 0.810 409 K CB 1.543 33.779 32.500 -0.440 0.000 1.143 409 K HN 0.537 nan 8.250 nan 0.000 0.427 410 F N 1.041 121.052 119.950 0.102 0.000 2.643 410 F HA 0.462 4.989 4.527 -0.001 0.000 0.314 410 F C 0.157 175.984 175.800 0.046 0.000 1.096 410 F CA -0.935 57.118 58.000 0.088 0.000 0.953 410 F CB 1.604 40.680 39.000 0.126 0.000 1.345 410 F HN 0.550 nan 8.300 nan 0.000 0.468 411 K N 0.013 120.468 120.400 0.092 0.000 2.266 411 K HA 0.230 4.549 4.320 -0.001 0.000 0.209 411 K C 0.239 176.901 176.600 0.104 0.000 1.065 411 K CA 1.043 57.312 56.287 -0.030 0.000 0.946 411 K CB 0.232 32.742 32.500 0.017 0.000 1.069 411 K HN 0.904 nan 8.250 nan 0.000 0.472 412 T N -2.093 112.624 114.554 0.272 0.000 2.940 412 T HA 0.275 4.625 4.350 -0.001 0.000 0.288 412 T C 1.116 175.982 174.700 0.276 0.000 1.033 412 T CA -0.860 61.371 62.100 0.217 0.000 1.033 412 T CB 1.471 70.402 68.868 0.104 0.000 1.079 412 T HN 0.192 nan 8.240 nan 0.000 0.496 413 I N 0.443 121.115 120.570 0.171 0.000 2.315 413 I HA -0.080 4.090 4.170 -0.001 0.000 0.248 413 I C 2.133 178.296 176.117 0.077 0.000 1.117 413 I CA 1.412 62.780 61.300 0.113 0.000 1.404 413 I CB -0.022 38.015 38.000 0.062 0.000 1.071 413 I HN 0.769 nan 8.210 nan 0.000 0.419 414 E N 0.635 120.875 120.200 0.066 0.000 2.077 414 E HA -0.284 4.066 4.350 -0.001 0.000 0.193 414 E C 1.963 178.573 176.600 0.017 0.000 0.989 414 E CA 1.359 57.803 56.400 0.073 0.000 0.800 414 E CB -0.237 29.493 29.700 0.051 0.000 0.746 414 E HN 0.510 nan 8.360 nan 0.000 0.452 415 E N 0.423 120.635 120.200 0.020 0.000 2.031 415 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 415 E C 2.092 178.609 176.600 -0.139 0.000 0.994 415 E CA 1.266 57.663 56.400 -0.006 0.000 0.800 415 E CB -0.053 29.697 29.700 0.082 0.000 0.752 415 E HN 0.181 nan 8.360 nan 0.000 0.447 416 V N 0.351 120.096 119.914 -0.283 0.000 2.515 416 V HA -0.171 3.948 4.120 -0.001 0.000 0.250 416 V C 2.323 178.091 176.094 -0.542 0.000 1.058 416 V CA 1.220 63.109 62.300 -0.685 0.000 1.064 416 V CB 0.092 31.102 31.823 -1.354 0.000 0.675 416 V HN 0.203 nan 8.190 nan 0.000 0.461 417 V N 0.763 120.498 119.914 -0.297 0.000 2.255 417 V HA -0.188 3.932 4.120 -0.001 0.000 0.247 417 V C 2.688 178.662 176.094 -0.201 0.000 1.051 417 V CA 2.323 64.491 62.300 -0.221 0.000 1.018 417 V CB -1.398 30.359 31.823 -0.111 0.000 0.641 417 V HN 0.633 nan 8.190 nan 0.000 0.445 418 G N -0.546 108.166 108.800 -0.147 0.000 2.418 418 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.217 418 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.217 418 G C 1.742 176.573 174.900 -0.116 0.000 1.158 418 G CA 0.608 45.646 45.100 -0.104 0.000 0.771 418 G HN 0.417 nan 8.290 nan 0.000 0.545 419 R N 0.409 120.800 120.500 -0.180 0.000 2.062 419 R HA 0.092 4.432 4.340 -0.001 0.000 0.229 419 R C 3.062 179.265 176.300 -0.161 0.000 1.128 419 R CA 1.027 57.040 56.100 -0.146 0.000 0.960 419 R CB -0.524 29.669 30.300 -0.177 0.000 0.855 419 R HN 0.336 nan 8.270 nan 0.000 0.432 420 A N 1.981 124.565 122.820 -0.394 0.000 1.908 420 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 420 A C 1.724 179.259 177.584 -0.083 0.000 1.181 420 A CA 1.610 53.503 52.037 -0.241 0.000 0.627 420 A CB -0.427 18.369 19.000 -0.341 0.000 0.818 420 A HN 0.251 nan 8.150 nan 0.000 0.445 421 N N 0.119 118.751 118.700 -0.112 0.000 2.494 421 N HA -0.062 4.677 4.740 -0.001 0.000 0.182 421 N C 0.340 175.831 175.510 -0.031 0.000 1.076 421 N CA 0.379 53.386 53.050 -0.072 0.000 0.908 421 N CB -0.485 37.947 38.487 -0.091 0.000 0.967 421 N HN 0.439 nan 8.380 nan 0.000 0.449 422 N N 1.004 119.693 118.700 -0.019 0.000 2.819 422 N HA 0.033 4.773 4.740 -0.001 0.000 0.284 422 N C -1.268 174.259 175.510 0.029 0.000 1.196 422 N CA 0.078 53.130 53.050 0.003 0.000 1.114 422 N CB -0.237 38.255 38.487 0.009 0.000 1.437 422 N HN -0.073 nan 8.380 nan 0.000 0.518 423 S N -0.073 115.639 115.700 0.020 0.000 2.552 423 S HA 0.280 4.750 4.470 -0.001 0.000 0.272 423 S C 0.614 175.203 174.600 -0.019 0.000 1.150 423 S CA -0.451 57.766 58.200 0.029 0.000 0.849 423 S CB 0.245 63.507 63.200 0.102 0.000 1.113 423 S HN 0.372 nan 8.310 nan 0.000 0.458 424 T N 0.475 114.963 114.554 -0.110 0.000 3.107 424 T HA 0.306 4.656 4.350 -0.001 0.000 0.249 424 T C 0.388 174.961 174.700 -0.211 0.000 1.096 424 T CA 0.338 62.330 62.100 -0.180 0.000 1.012 424 T CB -0.531 68.183 68.868 -0.257 0.000 0.977 424 T HN 0.529 nan 8.240 nan 0.000 0.527 425 Y N 0.570 120.884 120.300 0.024 0.000 2.432 425 Y HA 0.585 5.135 4.550 -0.001 0.000 0.322 425 Y C 1.325 177.232 175.900 0.013 0.000 1.246 425 Y CA -0.777 57.339 58.100 0.026 0.000 1.268 425 Y CB 1.604 40.085 38.460 0.035 0.000 1.276 425 Y HN 0.119 nan 8.280 nan 0.000 0.499 426 G N 0.918 109.837 108.800 0.197 0.000 5.609 426 G HA2 0.038 3.997 3.960 -0.001 0.000 0.195 426 G HA3 0.038 3.997 3.960 -0.001 0.000 0.195 426 G C -0.083 174.804 174.900 -0.023 0.000 0.749 426 G CA -0.294 44.835 45.100 0.049 0.000 0.662 426 G HN 0.536 nan 8.290 nan 0.000 0.288 427 L N 0.720 121.937 121.223 -0.010 0.000 2.023 427 L HA 0.705 5.045 4.340 -0.001 0.000 0.205 427 L C 1.170 177.880 176.870 -0.266 0.000 1.073 427 L CA 2.458 57.231 54.840 -0.112 0.000 0.745 427 L CB -0.133 41.919 42.059 -0.010 0.000 0.900 427 L HN 0.519 nan 8.230 nan 0.000 0.435 428 A N -2.313 120.403 122.820 -0.174 0.000 2.588 428 A HA 0.891 5.211 4.320 -0.001 0.000 0.290 428 A C -1.453 176.044 177.584 -0.144 0.000 1.136 428 A CA -0.099 51.767 52.037 -0.285 0.000 0.681 428 A CB 0.928 19.777 19.000 -0.252 0.000 1.282 428 A HN 0.529 nan 8.150 nan 0.000 0.421 429 A N -1.126 121.582 122.820 -0.187 0.000 2.601 429 A HA 0.985 5.305 4.320 -0.001 0.000 0.291 429 A C -0.657 176.975 177.584 0.081 0.000 1.075 429 A CA 0.103 52.147 52.037 0.011 0.000 0.671 429 A CB 0.704 19.663 19.000 -0.069 0.000 1.277 429 A HN 2.652 nan 8.150 nan 0.000 0.417 430 A N -0.203 122.791 122.820 0.290 0.000 2.515 430 A HA 0.832 5.152 4.320 -0.001 0.000 0.296 430 A C -1.437 176.342 177.584 0.324 0.000 1.094 430 A CA -0.560 51.702 52.037 0.375 0.000 0.718 430 A CB 1.682 21.134 19.000 0.752 0.000 1.307 430 A HN 1.733 nan 8.150 nan 0.000 0.408 431 V N 1.048 121.103 119.914 0.236 0.000 2.623 431 V HA 0.514 4.633 4.120 -0.001 0.000 0.304 431 V C -1.606 174.575 176.094 0.146 0.000 1.054 431 V CA -0.228 62.200 62.300 0.214 0.000 0.882 431 V CB 1.374 33.254 31.823 0.096 0.000 1.002 431 V HN 0.702 nan 8.190 nan 0.000 0.424 432 F N 2.874 122.935 119.950 0.185 0.000 2.402 432 F HA 0.773 5.300 4.527 -0.001 0.000 0.355 432 F C 0.378 176.286 175.800 0.180 0.000 1.123 432 F CA -0.213 57.910 58.000 0.205 0.000 1.021 432 F CB 2.021 41.153 39.000 0.220 0.000 1.160 432 F HN 0.506 nan 8.300 nan 0.000 0.451 433 T N 2.083 116.782 114.554 0.242 0.000 2.893 433 T HA 0.262 4.612 4.350 -0.001 0.000 0.337 433 T C 0.121 174.902 174.700 0.136 0.000 1.587 433 T CA -0.697 61.516 62.100 0.188 0.000 1.066 433 T CB 1.411 70.370 68.868 0.151 0.000 1.414 433 T HN 0.643 nan 8.240 nan 0.000 0.488 434 K N 0.866 121.337 120.400 0.118 0.000 2.379 434 K HA 0.172 4.492 4.320 -0.001 0.000 0.194 434 K C -0.129 176.508 176.600 0.062 0.000 1.031 434 K CA 0.023 56.360 56.287 0.083 0.000 1.037 434 K CB 0.225 32.771 32.500 0.078 0.000 0.824 434 K HN 0.502 nan 8.250 nan 0.000 0.516 435 D N 0.884 121.324 120.400 0.067 0.000 2.295 435 D HA 0.018 4.658 4.640 -0.001 0.000 0.248 435 D C 0.889 177.218 176.300 0.048 0.000 1.154 435 D CA -0.306 53.726 54.000 0.053 0.000 0.857 435 D CB 1.038 41.870 40.800 0.053 0.000 1.117 435 D HN -0.160 nan 8.370 nan 0.000 0.468 436 L N 4.341 125.587 121.223 0.037 0.000 1.971 436 L HA -0.191 4.149 4.340 -0.001 0.000 0.215 436 L C 1.280 178.175 176.870 0.042 0.000 1.072 436 L CA 2.040 56.901 54.840 0.034 0.000 0.758 436 L CB -0.534 41.541 42.059 0.026 0.000 0.889 436 L HN 0.518 nan 8.230 nan 0.000 0.433 437 D N -0.293 120.131 120.400 0.039 0.000 2.104 437 D HA -0.197 4.442 4.640 -0.001 0.000 0.194 437 D C 2.197 178.542 176.300 0.076 0.000 0.994 437 D CA 1.590 55.618 54.000 0.047 0.000 0.830 437 D CB -0.136 40.677 40.800 0.022 0.000 0.959 437 D HN 0.431 nan 8.370 nan 0.000 0.452 438 K N 0.552 120.992 120.400 0.066 0.000 2.032 438 K HA -0.091 4.228 4.320 -0.001 0.000 0.209 438 K C 2.174 178.850 176.600 0.128 0.000 1.048 438 K CA 1.282 57.629 56.287 0.099 0.000 0.927 438 K CB -0.170 32.382 32.500 0.086 0.000 0.712 438 K HN 0.044 nan 8.250 nan 0.000 0.441 439 A N 1.991 124.863 122.820 0.087 0.000 1.908 439 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 439 A C 1.867 179.482 177.584 0.052 0.000 1.181 439 A CA 1.770 53.844 52.037 0.063 0.000 0.627 439 A CB -0.473 18.551 19.000 0.041 0.000 0.818 439 A HN 0.239 nan 8.150 nan 0.000 0.445 440 N N -1.741 116.998 118.700 0.064 0.000 2.216 440 N HA -0.119 4.620 4.740 -0.001 0.000 0.183 440 N C 1.591 177.139 175.510 0.064 0.000 1.017 440 N CA 1.497 54.576 53.050 0.048 0.000 0.861 440 N CB -0.556 37.960 38.487 0.048 0.000 0.986 440 N HN 0.658 nan 8.380 nan 0.000 0.428 441 Y N 1.711 122.002 120.300 -0.015 0.000 2.114 441 Y HA -0.103 4.447 4.550 -0.001 0.000 0.284 441 Y C 2.200 178.078 175.900 -0.037 0.000 1.143 441 Y CA 1.455 59.543 58.100 -0.021 0.000 1.135 441 Y CB -0.451 38.001 38.460 -0.013 0.000 0.980 441 Y HN -0.046 nan 8.280 nan 0.000 0.499 442 L N -0.297 120.952 121.223 0.043 0.000 2.027 442 L HA -0.217 4.122 4.340 -0.001 0.000 0.206 442 L C 2.809 179.593 176.870 -0.143 0.000 1.074 442 L CA 1.642 56.436 54.840 -0.077 0.000 0.745 442 L CB -0.845 41.230 42.059 0.027 0.000 0.898 442 L HN 0.389 nan 8.230 nan 0.000 0.433 443 S N -0.854 114.789 115.700 -0.095 0.000 2.399 443 S HA -0.300 4.170 4.470 -0.001 0.000 0.231 443 S C 1.927 176.434 174.600 -0.155 0.000 1.022 443 S CA 1.433 59.560 58.200 -0.121 0.000 0.983 443 S CB -0.403 62.746 63.200 -0.086 0.000 0.803 443 S HN 0.518 nan 8.310 nan 0.000 0.480 444 Q N 1.154 120.861 119.800 -0.155 0.000 2.083 444 Q HA 0.059 4.399 4.340 -0.001 0.000 0.198 444 Q C 2.209 178.081 176.000 -0.213 0.000 0.969 444 Q CA 1.276 56.982 55.803 -0.162 0.000 0.838 444 Q CB -0.508 28.145 28.738 -0.141 0.000 0.900 444 Q HN 0.721 nan 8.270 nan 0.000 0.436 445 A N 0.417 123.051 122.820 -0.309 0.000 2.016 445 A HA 0.132 4.452 4.320 -0.001 0.000 0.217 445 A C 0.845 178.277 177.584 -0.254 0.000 1.162 445 A CA 0.026 51.866 52.037 -0.329 0.000 0.662 445 A CB -0.195 18.483 19.000 -0.537 0.000 0.812 445 A HN 0.352 nan 8.150 nan 0.000 0.450 446 L N 0.899 121.972 121.223 -0.251 0.000 2.410 446 L HA 0.087 4.427 4.340 -0.001 0.000 0.273 446 L C 0.096 176.779 176.870 -0.312 0.000 1.152 446 L CA -0.149 54.543 54.840 -0.247 0.000 0.855 446 L CB 0.634 42.556 42.059 -0.228 0.000 1.129 446 L HN 0.364 nan 8.230 nan 0.000 0.463 447 Q N 3.717 123.340 119.800 -0.296 0.000 2.844 447 Q HA 0.510 4.849 4.340 -0.001 0.000 0.235 447 Q C -0.405 175.191 176.000 -0.673 0.000 1.336 447 Q CA -0.262 55.294 55.803 -0.412 0.000 1.026 447 Q CB 0.722 29.382 28.738 -0.130 0.000 1.513 447 Q HN 0.682 nan 8.270 nan 0.000 0.577 448 A N -0.180 122.033 122.820 -1.012 0.000 2.539 448 A HA 0.687 5.007 4.320 -0.001 0.000 0.296 448 A C 0.895 177.917 177.584 -0.936 0.000 1.073 448 A CA -0.414 51.127 52.037 -0.826 0.000 0.700 448 A CB 1.173 19.901 19.000 -0.455 0.000 1.296 448 A HN 0.535 nan 8.150 nan 0.000 0.405 449 G N -0.031 108.477 108.800 -0.486 0.000 2.422 449 G HA2 0.248 4.207 3.960 -0.001 0.000 0.218 449 G HA3 0.248 4.207 3.960 -0.001 0.000 0.218 449 G C 0.523 175.160 174.900 -0.438 0.000 1.146 449 G CA 1.740 46.679 45.100 -0.269 0.000 0.769 449 G HN 0.847 nan 8.290 nan 0.000 0.547 450 T N -0.288 113.904 114.554 -0.603 0.000 2.879 450 T HA 0.503 4.852 4.350 -0.001 0.000 0.290 450 T C -1.056 173.170 174.700 -0.790 0.000 0.993 450 T CA -0.429 61.230 62.100 -0.735 0.000 0.975 450 T CB 2.693 70.963 68.868 -0.997 0.000 0.981 450 T HN -0.085 nan 8.240 nan 0.000 0.439 451 V N 3.913 123.447 119.914 -0.633 0.000 2.357 451 V HA 0.438 4.557 4.120 -0.001 0.000 0.284 451 V C -0.625 175.220 176.094 -0.414 0.000 1.018 451 V CA -1.000 61.022 62.300 -0.462 0.000 0.841 451 V CB 1.144 32.799 31.823 -0.281 0.000 0.991 451 V HN 0.758 nan 8.190 nan 0.000 0.437 452 W N 3.601 124.793 121.300 -0.181 0.000 2.417 452 W HA 0.626 5.285 4.660 -0.001 0.000 0.317 452 W C -0.551 175.880 176.519 -0.146 0.000 1.121 452 W CA -0.710 56.532 57.345 -0.172 0.000 1.208 452 W CB 1.830 31.152 29.460 -0.230 0.000 1.253 452 W HN 0.261 nan 8.180 nan 0.000 0.533 453 V N 4.702 124.658 119.914 0.070 0.000 2.378 453 V HA 0.132 4.252 4.120 -0.001 0.000 0.288 453 V C 0.195 176.177 176.094 -0.187 0.000 1.016 453 V CA -0.961 61.297 62.300 -0.070 0.000 0.840 453 V CB 1.091 32.896 31.823 -0.030 0.000 0.994 453 V HN 0.669 nan 8.190 nan 0.000 0.431 454 N N 2.020 120.369 118.700 -0.584 0.000 2.714 454 N HA -0.180 4.560 4.740 -0.001 0.000 0.250 454 N C -0.215 175.192 175.510 -0.171 0.000 1.117 454 N CA 1.322 53.967 53.050 -0.675 0.000 0.719 454 N CB -1.137 37.304 38.487 -0.076 0.000 1.081 454 N HN 1.040 nan 8.380 nan 0.000 0.557 455 C N -4.177 114.970 119.300 -0.255 0.000 3.284 455 C HA 0.813 5.272 4.460 -0.001 0.000 0.348 455 C C -0.976 174.104 174.990 0.151 0.000 1.448 455 C CA -1.357 57.745 59.018 0.140 0.000 1.223 455 C CB 1.821 29.635 27.740 0.124 0.000 1.588 455 C HN 0.256 nan 8.230 nan 0.000 0.451 456 Y N -0.196 119.989 120.300 -0.192 0.000 2.581 456 Y HA 0.476 5.026 4.550 -0.001 0.000 0.337 456 Y C -0.348 174.953 175.900 -0.999 0.000 1.108 456 Y CA 0.384 58.134 58.100 -0.584 0.000 1.033 456 Y CB 1.381 39.768 38.460 -0.122 0.000 1.318 456 Y HN 1.014 nan 8.280 nan 0.000 0.459 457 D N 1.931 121.019 120.400 -2.187 0.000 2.723 457 D HA -0.134 4.506 4.640 -0.001 0.000 0.236 457 D C -1.056 174.777 176.300 -0.779 0.000 1.138 457 D CA 0.894 54.175 54.000 -1.199 0.000 0.676 457 D CB -0.999 39.651 40.800 -0.251 0.000 1.069 457 D HN 0.165 nan 8.370 nan 0.000 0.430 458 V N 1.366 120.594 119.914 -1.143 0.000 2.353 458 V HA 0.333 4.453 4.120 -0.001 0.000 0.264 458 V C 0.472 176.460 176.094 -0.178 0.000 1.049 458 V CA -0.256 61.833 62.300 -0.352 0.000 0.896 458 V CB 0.090 31.808 31.823 -0.175 0.000 1.025 458 V HN -0.006 nan 8.190 nan 0.000 0.475 459 F N 2.523 122.527 119.950 0.090 0.000 2.469 459 F HA 0.811 5.338 4.527 -0.001 0.000 0.332 459 F C 0.769 176.588 175.800 0.032 0.000 1.103 459 F CA -0.562 57.494 58.000 0.093 0.000 0.979 459 F CB 2.166 41.203 39.000 0.063 0.000 1.137 459 F HN 0.508 nan 8.300 nan 0.000 0.463 460 G N 0.316 109.204 108.800 0.147 0.000 2.617 460 G HA2 0.514 4.474 3.960 -0.001 0.000 0.306 460 G HA3 0.514 4.474 3.960 -0.001 0.000 0.306 460 G C 0.215 175.029 174.900 -0.144 0.000 1.360 460 G CA -0.425 44.681 45.100 0.009 0.000 0.983 460 G HN 0.887 nan 8.290 nan 0.000 0.496 461 A N 1.440 124.101 122.820 -0.264 0.000 2.084 461 A HA -0.111 4.209 4.320 -0.001 0.000 0.221 461 A C 2.125 179.068 177.584 -1.068 0.000 1.161 461 A CA 2.044 53.725 52.037 -0.593 0.000 0.653 461 A CB -0.099 18.566 19.000 -0.560 0.000 0.802 461 A HN 0.641 nan 8.150 nan 0.000 0.457 462 Q N -0.647 118.717 119.800 -0.726 0.000 2.408 462 Q HA 0.171 4.510 4.340 -0.001 0.000 0.205 462 Q C -0.072 175.862 176.000 -0.110 0.000 0.919 462 Q CA 0.450 55.950 55.803 -0.505 0.000 0.932 462 Q CB -0.262 28.391 28.738 -0.141 0.000 1.058 462 Q HN 0.383 nan 8.270 nan 0.000 0.517 463 S N 3.910 119.551 115.700 -0.098 0.000 2.437 463 S HA 0.481 4.950 4.470 -0.001 0.000 0.305 463 S C -2.462 172.140 174.600 0.005 0.000 1.109 463 S CA -1.165 57.038 58.200 0.004 0.000 1.099 463 S CB 1.712 64.917 63.200 0.008 0.000 1.004 463 S HN 0.139 nan 8.310 nan 0.000 0.475 464 P HA 0.299 nan 4.420 nan 0.000 0.270 464 P C -0.956 176.357 177.300 0.021 0.000 1.223 464 P CA -0.244 62.847 63.100 -0.014 0.000 0.785 464 P CB 0.370 31.934 31.700 -0.226 0.000 0.923 465 F N 0.465 120.344 119.950 -0.119 0.000 2.588 465 F HA 0.646 5.172 4.527 -0.001 0.000 0.314 465 F C -0.384 175.412 175.800 -0.007 0.000 1.134 465 F CA 0.273 58.239 58.000 -0.056 0.000 0.961 465 F CB 2.080 41.110 39.000 0.050 0.000 1.239 465 F HN 0.682 nan 8.300 nan 0.000 0.448 466 G N 2.215 110.671 108.800 -0.575 0.000 2.328 466 G HA2 0.460 4.420 3.960 -0.001 0.000 0.295 466 G HA3 0.460 4.420 3.960 -0.001 0.000 0.295 466 G C -1.511 173.214 174.900 -0.293 0.000 1.413 466 G CA -0.222 44.706 45.100 -0.286 0.000 0.817 466 G HN 0.998 nan 8.290 nan 0.000 0.546 467 G N -1.193 107.541 108.800 -0.110 0.000 2.389 467 G HA2 0.578 4.537 3.960 -0.001 0.000 0.317 467 G HA3 0.578 4.537 3.960 -0.001 0.000 0.317 467 G C -0.965 173.989 174.900 0.090 0.000 1.137 467 G CA -0.376 44.712 45.100 -0.019 0.000 0.870 467 G HN 0.444 nan 8.290 nan 0.000 0.496 468 Y N 0.804 121.037 120.300 -0.112 0.000 2.326 468 Y HA 0.352 4.901 4.550 -0.001 0.000 0.324 468 Y C 1.533 177.407 175.900 -0.043 0.000 1.291 468 Y CA -0.447 57.603 58.100 -0.083 0.000 1.348 468 Y CB 1.111 39.515 38.460 -0.092 0.000 1.294 468 Y HN 0.849 nan 8.280 nan 0.000 0.525 469 K N -0.421 120.025 120.400 0.076 0.000 1.779 469 K HA -0.323 3.996 4.320 -0.001 0.000 0.128 469 K C 0.654 177.268 176.600 0.023 0.000 1.288 469 K CA 1.926 58.234 56.287 0.035 0.000 0.398 469 K CB -1.131 31.398 32.500 0.050 0.000 0.609 469 K HN 0.653 nan 8.250 nan 0.000 0.874 470 M N 0.871 120.480 119.600 0.015 0.000 2.505 470 M HA 0.059 4.539 4.480 -0.001 0.000 0.230 470 M C 1.006 177.380 176.300 0.124 0.000 1.153 470 M CA 0.431 55.739 55.300 0.014 0.000 0.997 470 M CB 0.423 32.971 32.600 -0.085 0.000 1.606 470 M HN 0.298 nan 8.290 nan 0.000 0.481 471 S N 0.751 116.557 115.700 0.177 0.000 2.607 471 S HA 0.284 4.753 4.470 -0.001 0.000 0.224 471 S C 0.934 175.612 174.600 0.131 0.000 0.969 471 S CA 0.553 58.883 58.200 0.218 0.000 0.927 471 S CB 0.081 63.391 63.200 0.183 0.000 0.772 471 S HN 0.772 nan 8.310 nan 0.000 0.533 472 G N 0.532 109.388 108.800 0.093 0.000 2.346 472 G HA2 0.284 4.244 3.960 -0.001 0.000 0.294 472 G HA3 0.284 4.244 3.960 -0.001 0.000 0.294 472 G C -1.140 173.774 174.900 0.023 0.000 1.294 472 G CA -0.399 44.743 45.100 0.071 0.000 0.962 472 G HN 0.747 nan 8.290 nan 0.000 0.508 473 S N -1.209 114.500 115.700 0.015 0.000 2.537 473 S HA 1.000 5.470 4.470 -0.001 0.000 0.270 473 S C 0.317 174.907 174.600 -0.017 0.000 1.142 473 S CA 0.593 58.779 58.200 -0.024 0.000 0.870 473 S CB 1.549 64.730 63.200 -0.031 0.000 1.112 473 S HN 3.088 nan 8.310 nan 0.000 0.466 474 G N 1.776 110.552 108.800 -0.040 0.000 2.756 474 G HA2 0.152 4.111 3.960 -0.001 0.000 0.678 474 G HA3 0.152 4.111 3.960 -0.001 0.000 0.678 474 G C -1.450 173.443 174.900 -0.013 0.000 1.349 474 G CA -1.000 44.085 45.100 -0.025 0.000 0.847 474 G HN 0.833 nan 8.290 nan 0.000 0.548 475 R N 0.265 120.773 120.500 0.013 0.000 2.744 475 R HA 0.641 4.980 4.340 -0.001 0.000 0.279 475 R C -0.157 176.193 176.300 0.083 0.000 0.977 475 R CA -0.732 55.382 56.100 0.023 0.000 0.906 475 R CB 1.849 32.133 30.300 -0.028 0.000 1.197 475 R HN 0.761 nan 8.270 nan 0.000 0.463 476 E N 1.629 121.887 120.200 0.097 0.000 2.263 476 E HA 0.613 4.963 4.350 -0.001 0.000 0.264 476 E C -0.317 176.268 176.600 -0.025 0.000 0.923 476 E CA -0.858 55.584 56.400 0.070 0.000 0.802 476 E CB 1.705 31.467 29.700 0.103 0.000 1.228 476 E HN 0.326 nan 8.360 nan 0.000 0.417 477 L N -0.092 121.117 121.223 -0.023 0.000 0.586 477 L HA -0.261 4.078 4.340 -0.001 0.000 0.356 477 L C 0.661 177.612 176.870 0.136 0.000 0.969 477 L CA 0.702 55.521 54.840 -0.035 0.000 1.223 477 L CB -1.421 40.428 42.059 -0.351 0.000 0.020 477 L HN 0.994 nan 8.230 nan 0.000 0.091 478 G N 0.108 108.932 108.800 0.041 0.000 2.749 478 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.242 478 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.242 478 G C 0.468 175.579 174.900 0.352 0.000 1.364 478 G CA 0.943 46.197 45.100 0.257 0.000 0.888 478 G HN 1.157 nan 8.290 nan 0.000 0.566 479 E N -1.013 119.330 120.200 0.239 0.000 2.110 479 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 479 E C 2.194 178.592 176.600 -0.337 0.000 0.988 479 E CA 1.764 57.970 56.400 -0.324 0.000 0.804 479 E CB -0.160 29.382 29.700 -0.263 0.000 0.745 479 E HN 0.636 nan 8.360 nan 0.000 0.458 480 Y N 0.018 120.289 120.300 -0.048 0.000 2.207 480 Y HA -0.130 4.420 4.550 -0.001 0.000 0.287 480 Y C 2.476 178.345 175.900 -0.051 0.000 1.156 480 Y CA 1.159 59.235 58.100 -0.040 0.000 1.182 480 Y CB -0.761 37.699 38.460 -0.001 0.000 0.979 480 Y HN 0.170 nan 8.280 nan 0.000 0.521 481 G N -0.186 108.712 108.800 0.164 0.000 2.501 481 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.220 481 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.220 481 G C 1.460 176.378 174.900 0.030 0.000 1.114 481 G CA 0.819 46.000 45.100 0.136 0.000 0.757 481 G HN 0.407 nan 8.290 nan 0.000 0.559 482 L N -0.796 120.317 121.223 -0.184 0.000 2.270 482 L HA 0.046 4.386 4.340 -0.001 0.000 0.210 482 L C 2.944 179.685 176.870 -0.214 0.000 1.104 482 L CA 0.351 54.971 54.840 -0.365 0.000 0.804 482 L CB -0.324 41.099 42.059 -1.061 0.000 0.937 482 L HN 0.222 nan 8.230 nan 0.000 0.450 483 Q N 0.543 120.257 119.800 -0.144 0.000 2.030 483 Q HA -0.214 4.126 4.340 -0.001 0.000 0.204 483 Q C 2.355 178.322 176.000 -0.055 0.000 0.986 483 Q CA 1.912 57.695 55.803 -0.034 0.000 0.843 483 Q CB -0.307 28.437 28.738 0.009 0.000 0.904 483 Q HN 0.555 nan 8.270 nan 0.000 0.420 484 A N -0.465 122.290 122.820 -0.107 0.000 2.216 484 A HA -0.116 4.203 4.320 -0.001 0.000 0.214 484 A C 0.814 178.139 177.584 -0.430 0.000 1.160 484 A CA 0.809 52.685 52.037 -0.268 0.000 0.725 484 A CB -0.309 18.479 19.000 -0.354 0.000 0.784 484 A HN 0.421 nan 8.150 nan 0.000 0.472 485 Y N -0.493 119.768 120.300 -0.065 0.000 2.555 485 Y HA 0.208 4.758 4.550 -0.001 0.000 0.259 485 Y C 0.314 176.204 175.900 -0.018 0.000 1.179 485 Y CA 0.060 58.130 58.100 -0.051 0.000 1.230 485 Y CB 0.517 38.933 38.460 -0.074 0.000 1.146 485 Y HN 0.063 nan 8.280 nan 0.000 0.526 486 T N 0.295 114.885 114.554 0.060 0.000 2.824 486 T HA 0.338 4.687 4.350 -0.001 0.000 0.282 486 T C -0.968 173.728 174.700 -0.006 0.000 0.993 486 T CA -0.681 61.455 62.100 0.060 0.000 0.967 486 T CB 1.930 70.843 68.868 0.075 0.000 0.960 486 T HN -0.044 nan 8.240 nan 0.000 0.441 487 E N 2.116 122.328 120.200 0.021 0.000 2.166 487 E HA 0.528 4.877 4.350 -0.001 0.000 0.275 487 E C -1.084 175.516 176.600 0.001 0.000 0.941 487 E CA -0.591 55.811 56.400 0.003 0.000 0.784 487 E CB 1.030 30.751 29.700 0.034 0.000 1.115 487 E HN 0.319 nan 8.360 nan 0.000 0.399 488 V N 5.311 125.208 119.914 -0.029 0.000 2.407 488 V HA 0.319 4.439 4.120 -0.001 0.000 0.278 488 V C 0.035 176.135 176.094 0.009 0.000 1.037 488 V CA -0.547 61.749 62.300 -0.007 0.000 0.900 488 V CB 1.149 32.947 31.823 -0.042 0.000 0.983 488 V HN 0.580 nan 8.190 nan 0.000 0.459 489 K N 3.255 123.672 120.400 0.029 0.000 2.274 489 K HA 0.510 4.830 4.320 -0.001 0.000 0.262 489 K C -0.525 176.033 176.600 -0.069 0.000 0.961 489 K CA -0.377 55.900 56.287 -0.018 0.000 0.833 489 K CB 1.477 33.972 32.500 -0.008 0.000 1.102 489 K HN 0.689 nan 8.250 nan 0.000 0.436 490 T N 2.993 117.477 114.554 -0.117 0.000 2.806 490 T HA 0.279 4.629 4.350 -0.001 0.000 0.290 490 T C -0.620 173.894 174.700 -0.310 0.000 0.966 490 T CA -0.535 61.443 62.100 -0.204 0.000 1.060 490 T CB 1.138 69.907 68.868 -0.164 0.000 0.927 490 T HN 0.301 nan 8.240 nan 0.000 0.485 491 V N 3.835 123.406 119.914 -0.572 0.000 2.448 491 V HA 0.520 4.640 4.120 -0.001 0.000 0.295 491 V C 0.091 175.804 176.094 -0.635 0.000 1.025 491 V CA -0.709 61.192 62.300 -0.665 0.000 0.859 491 V CB 1.870 33.067 31.823 -1.042 0.000 0.988 491 V HN 0.960 nan 8.190 nan 0.000 0.431 492 T N 4.354 118.699 114.554 -0.347 0.000 2.864 492 T HA 0.525 4.874 4.350 -0.001 0.000 0.299 492 T C -0.516 174.154 174.700 -0.050 0.000 1.011 492 T CA -0.339 61.628 62.100 -0.222 0.000 0.975 492 T CB 1.418 70.144 68.868 -0.237 0.000 0.962 492 T HN 0.339 nan 8.240 nan 0.000 0.448 493 V N 3.829 123.793 119.914 0.083 0.000 2.459 493 V HA 0.448 4.568 4.120 -0.001 0.000 0.295 493 V C 0.448 176.748 176.094 0.343 0.000 1.029 493 V CA -1.149 61.271 62.300 0.200 0.000 0.874 493 V CB 1.742 33.708 31.823 0.239 0.000 0.985 493 V HN 0.723 nan 8.190 nan 0.000 0.438 494 K N 3.690 124.273 120.400 0.304 0.000 2.412 494 K HA 0.401 4.721 4.320 -0.001 0.000 0.281 494 K C -0.439 176.193 176.600 0.054 0.000 1.027 494 K CA -0.145 56.235 56.287 0.156 0.000 0.989 494 K CB 0.804 33.369 32.500 0.108 0.000 0.935 494 K HN 0.683 nan 8.250 nan 0.000 0.475 495 V N 2.009 121.889 119.914 -0.056 0.000 2.960 495 V HA 0.417 4.537 4.120 -0.001 0.000 0.315 495 V C -2.151 173.891 176.094 -0.087 0.000 1.087 495 V CA -1.929 60.355 62.300 -0.027 0.000 0.982 495 V CB 1.373 33.205 31.823 0.015 0.000 1.039 495 V HN 0.666 nan 8.190 nan 0.000 0.437 496 P HA -0.075 nan 4.420 nan 0.000 0.215 496 P C 0.096 177.351 177.300 -0.075 0.000 1.157 496 P CA 1.335 64.400 63.100 -0.059 0.000 0.868 496 P CB 0.148 31.825 31.700 -0.039 0.000 0.788 497 Q N -1.069 118.690 119.800 -0.068 0.000 2.371 497 Q HA 0.149 4.489 4.340 -0.001 0.000 0.244 497 Q C -1.070 174.897 176.000 -0.054 0.000 0.882 497 Q CA -0.740 55.023 55.803 -0.066 0.000 0.866 497 Q CB 1.083 29.792 28.738 -0.048 0.000 1.399 497 Q HN -0.233 nan 8.270 nan 0.000 0.432 498 K N 3.871 124.238 120.400 -0.056 0.000 2.379 498 K HA 0.245 4.565 4.320 -0.001 0.000 0.284 498 K C -1.162 175.429 176.600 -0.015 0.000 1.044 498 K CA 0.310 56.583 56.287 -0.023 0.000 0.974 498 K CB 0.479 32.978 32.500 -0.002 0.000 0.962 498 K HN 0.692 nan 8.250 nan 0.000 0.474 499 N N 1.619 120.311 118.700 -0.014 0.000 2.240 499 N HA 0.105 4.845 4.740 -0.001 0.000 0.302 499 N C -0.446 175.061 175.510 -0.006 0.000 1.106 499 N CA -0.428 52.615 53.050 -0.012 0.000 0.778 499 N CB 1.830 40.303 38.487 -0.022 0.000 1.431 499 N HN 0.691 nan 8.380 nan 0.000 0.479 500 S N 0.000 115.700 115.700 -0.001 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 500 S CA 0.000 58.201 58.200 0.002 0.000 1.107 500 S CB 0.000 63.203 63.200 0.004 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517