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 1o0b_1_A DATA FIRST_RESID 8 DATA SEQUENCE TNFIRQIIDE DLASGKHTTV HTRFPPEPNG YLHIGHAKSI CLNFGIAQDY DATA SEQUENCE KGQCNLRFDD TNPVKEDIEY VESIKNDVEW LGFHWSGNVR YSSDYFDQLH DATA SEQUENCE AYAIELINKG LAYVDELTPE QIREYRGTLT QPGKNSPYRD RSVEENLALF DATA SEQUENCE EKMRAGGFEE GKACLRAKID MASPFIVMRD PVLYRIKFAE HHQTGNKWCI DATA SEQUENCE YPMYDFTHCI SDALEGITHS LCTLEFQDNR RLYDWVLDNI TIPVHPRQYE DATA SEQUENCE FSRLNLEYTV MSKRKLNLLV TDKHVEGWDD PRMPTISGLR RRGYTAASIR DATA SEQUENCE EFCKRIGVTK QDNTIEMASL ESCIREDLNE NAPRAMAVID PVKLVIENYQ DATA SEQUENCE GEGEMVTMPN HPNKPEMGSR QVPFSGEIWI DRADFREEAN KQYKRLVLGK DATA SEQUENCE EVRLRNAYVI KAERVEKDAE GNITTIFCTY DADTLXXXXX XXXXXXGVIH DATA SEQUENCE WVSAAHALPV EIRLYDRLFS VPNPGAADDF LSVINPESLV IKQGFAEPSL DATA SEQUENCE KDAVAGKAFQ FEREGYFCLD SRHSTAEKPV FNRTVGLRDT 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.693 174.700 -0.011 0.000 1.109 8 T CA 0.000 62.089 62.100 -0.018 0.000 1.349 8 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 9 N N 0.090 118.780 118.700 -0.016 0.000 3.179 9 N HA 0.382 5.122 4.740 -0.001 0.000 0.250 9 N C 0.514 176.042 175.510 0.029 0.000 1.507 9 N CA -0.560 52.503 53.050 0.022 0.000 0.883 9 N CB -0.270 38.207 38.487 -0.017 0.000 1.435 9 N HN 0.567 nan 8.380 nan 0.000 0.532 10 F N -0.367 119.563 119.950 -0.033 0.000 2.202 10 F HA 0.204 4.730 4.527 -0.001 0.000 0.301 10 F C 1.317 177.061 175.800 -0.094 0.000 1.082 10 F CA 0.848 58.824 58.000 -0.040 0.000 1.313 10 F CB -0.521 38.476 39.000 -0.006 0.000 1.024 10 F HN 0.396 nan 8.300 nan 0.000 0.495 11 I N 0.537 120.561 120.570 -0.910 0.000 2.353 11 I HA -0.158 4.012 4.170 -0.001 0.000 0.248 11 I C 2.557 178.368 176.117 -0.510 0.000 1.119 11 I CA 1.121 61.925 61.300 -0.826 0.000 1.417 11 I CB -0.486 37.007 38.000 -0.845 0.000 1.078 11 I HN 0.094 nan 8.210 nan 0.000 0.421 12 R N 0.392 120.695 120.500 -0.328 0.000 2.148 12 R HA -0.107 4.232 4.340 -0.001 0.000 0.223 12 R C 2.236 178.461 176.300 -0.125 0.000 1.088 12 R CA 0.890 56.881 56.100 -0.182 0.000 0.985 12 R CB -0.141 30.153 30.300 -0.009 0.000 0.880 12 R HN 0.484 nan 8.270 nan 0.000 0.451 13 Q N 0.331 120.063 119.800 -0.113 0.000 2.123 13 Q HA -0.087 4.253 4.340 -0.001 0.000 0.199 13 Q C 2.058 178.001 176.000 -0.096 0.000 0.966 13 Q CA 1.130 56.900 55.803 -0.056 0.000 0.845 13 Q CB 0.003 28.738 28.738 -0.004 0.000 0.907 13 Q HN 0.340 nan 8.270 nan 0.000 0.439 14 I N 0.622 121.080 120.570 -0.186 0.000 2.142 14 I HA -0.305 3.865 4.170 -0.001 0.000 0.240 14 I C 2.196 178.177 176.117 -0.227 0.000 1.078 14 I CA 1.180 62.347 61.300 -0.222 0.000 1.343 14 I CB -0.238 37.482 38.000 -0.467 0.000 1.046 14 I HN 0.201 nan 8.210 nan 0.000 0.405 15 I N 0.657 120.975 120.570 -0.421 0.000 2.151 15 I HA -0.373 3.797 4.170 -0.001 0.000 0.243 15 I C 2.141 178.124 176.117 -0.225 0.000 1.080 15 I CA 1.527 62.509 61.300 -0.529 0.000 1.339 15 I CB -0.637 36.824 38.000 -0.899 0.000 1.039 15 I HN 0.298 nan 8.210 nan 0.000 0.409 16 D N 0.851 121.184 120.400 -0.111 0.000 2.092 16 D HA -0.202 4.438 4.640 -0.001 0.000 0.193 16 D C 2.098 178.408 176.300 0.018 0.000 0.994 16 D CA 1.443 55.457 54.000 0.024 0.000 0.828 16 D CB -0.365 40.464 40.800 0.048 0.000 0.963 16 D HN 0.443 nan 8.370 nan 0.000 0.450 17 E N 0.332 120.532 120.200 0.000 0.000 2.160 17 E HA -0.164 4.185 4.350 -0.001 0.000 0.195 17 E C 1.543 178.165 176.600 0.037 0.000 0.991 17 E CA 0.954 57.364 56.400 0.018 0.000 0.810 17 E CB 0.031 29.739 29.700 0.013 0.000 0.742 17 E HN 0.260 nan 8.360 nan 0.000 0.466 18 D N 0.329 120.766 120.400 0.062 0.000 2.097 18 D HA -0.114 4.526 4.640 -0.001 0.000 0.197 18 D C 1.818 178.176 176.300 0.096 0.000 0.984 18 D CA 0.646 54.717 54.000 0.118 0.000 0.826 18 D CB -0.162 40.831 40.800 0.322 0.000 0.973 18 D HN 0.017 nan 8.370 nan 0.000 0.460 19 L N 0.979 122.258 121.223 0.095 0.000 2.012 19 L HA -0.104 4.235 4.340 -0.001 0.000 0.210 19 L C 2.349 179.255 176.870 0.060 0.000 1.073 19 L CA 1.450 56.343 54.840 0.090 0.000 0.748 19 L CB -1.253 40.862 42.059 0.093 0.000 0.891 19 L HN -0.035 nan 8.230 nan 0.000 0.431 20 A N -0.718 122.131 122.820 0.048 0.000 1.858 20 A HA -0.233 4.086 4.320 -0.001 0.000 0.216 20 A C 2.466 180.064 177.584 0.023 0.000 1.190 20 A CA 2.289 54.346 52.037 0.033 0.000 0.617 20 A CB -1.023 17.994 19.000 0.028 0.000 0.827 20 A HN 0.555 nan 8.150 nan 0.000 0.443 21 S N -1.765 113.947 115.700 0.020 0.000 2.442 21 S HA 0.254 4.723 4.470 -0.001 0.000 0.236 21 S C 1.601 176.199 174.600 -0.004 0.000 1.007 21 S CA 1.427 59.631 58.200 0.006 0.000 0.965 21 S CB -0.554 62.646 63.200 0.001 0.000 0.773 21 S HN 2.060 nan 8.310 nan 0.000 0.504 22 G N 1.490 110.291 108.800 0.002 0.000 2.175 22 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.244 22 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.244 22 G C 0.640 175.511 174.900 -0.048 0.000 0.982 22 G CA 0.443 45.539 45.100 -0.007 0.000 0.641 22 G HN 0.591 nan 8.290 nan 0.000 0.527 23 K N -0.118 120.225 120.400 -0.094 0.000 2.283 23 K HA -0.034 4.285 4.320 -0.001 0.000 0.202 23 K C 0.308 176.621 176.600 -0.479 0.000 1.048 23 K CA 0.927 57.058 56.287 -0.260 0.000 0.948 23 K CB -0.058 32.282 32.500 -0.267 0.000 0.742 23 K HN 0.523 nan 8.250 nan 0.000 0.458 24 H N -1.417 117.672 119.070 0.031 0.000 2.996 24 H HA 0.095 4.651 4.556 -0.001 0.000 0.368 24 H C -0.015 175.337 175.328 0.040 0.000 1.185 24 H CA -0.101 55.971 56.048 0.039 0.000 1.160 24 H CB 2.239 32.046 29.762 0.075 0.000 1.820 24 H HN 0.088 nan 8.280 nan 0.000 0.547 25 T N -1.917 112.743 114.554 0.177 0.000 3.003 25 T HA 0.188 4.537 4.350 -0.001 0.000 0.261 25 T C 0.463 175.224 174.700 0.101 0.000 1.003 25 T CA 0.243 62.409 62.100 0.109 0.000 0.917 25 T CB 0.313 69.227 68.868 0.077 0.000 1.084 25 T HN 0.629 nan 8.240 nan 0.000 0.522 26 T N 0.121 114.742 114.554 0.113 0.000 2.816 26 T HA 0.707 5.057 4.350 -0.001 0.000 0.299 26 T C -1.033 173.692 174.700 0.042 0.000 1.230 26 T CA -0.527 61.617 62.100 0.073 0.000 1.007 26 T CB 1.847 70.755 68.868 0.066 0.000 1.289 26 T HN 0.657 nan 8.240 nan 0.000 0.508 27 V N -0.790 119.127 119.914 0.005 0.000 2.588 27 V HA 0.760 4.880 4.120 -0.001 0.000 0.304 27 V C -1.266 174.823 176.094 -0.008 0.000 1.042 27 V CA -0.627 61.652 62.300 -0.036 0.000 0.877 27 V CB 1.574 33.299 31.823 -0.164 0.000 0.996 27 V HN 1.162 nan 8.190 nan 0.000 0.425 28 H N 3.903 122.935 119.070 -0.064 0.000 2.970 28 H HA 0.654 5.210 4.556 -0.001 0.000 0.315 28 H C -0.084 175.205 175.328 -0.066 0.000 0.992 28 H CA 0.481 56.494 56.048 -0.059 0.000 1.363 28 H CB 1.688 31.417 29.762 -0.054 0.000 1.532 28 H HN 1.120 nan 8.280 nan 0.000 0.514 29 T N 1.909 116.538 114.554 0.125 0.000 2.893 29 T HA 0.721 5.070 4.350 -0.001 0.000 0.279 29 T C 0.168 174.881 174.700 0.022 0.000 0.991 29 T CA -1.039 61.082 62.100 0.035 0.000 0.950 29 T CB 2.303 71.122 68.868 -0.082 0.000 1.223 29 T HN 0.632 nan 8.240 nan 0.000 0.585 30 R N -0.134 120.332 120.500 -0.056 0.000 2.664 30 R HA 0.405 4.745 4.340 -0.001 0.000 0.260 30 R C -2.537 173.745 176.300 -0.030 0.000 1.062 30 R CA -0.862 55.185 56.100 -0.089 0.000 0.902 30 R CB 0.851 31.115 30.300 -0.060 0.000 1.258 30 R HN 0.693 nan 8.270 nan 0.000 0.465 31 F N 5.437 125.249 119.950 -0.230 0.000 2.382 31 F HA 0.567 5.094 4.527 -0.000 0.000 0.361 31 F C -2.238 173.461 175.800 -0.169 0.000 1.109 31 F CA -2.637 55.284 58.000 -0.131 0.000 1.031 31 F CB 2.115 41.105 39.000 -0.016 0.000 1.234 31 F HN 0.365 nan 8.300 nan 0.000 0.445 32 P HA 0.275 nan 4.420 nan 0.000 0.209 32 P C -2.954 174.014 177.300 -0.554 0.000 1.872 32 P CA -1.486 61.325 63.100 -0.481 0.000 1.020 32 P CB 0.433 32.082 31.700 -0.084 0.000 1.813 33 P HA 0.106 nan 4.420 nan 0.000 0.272 33 P C -0.157 176.953 177.300 -0.317 0.000 1.230 33 P CA 0.088 62.802 63.100 -0.644 0.000 0.788 33 P CB 1.425 32.602 31.700 -0.871 0.000 0.949 34 E N 2.393 122.501 120.200 -0.152 0.000 2.227 34 E HA 0.198 4.547 4.350 -0.001 0.000 0.282 34 E C -1.887 174.701 176.600 -0.019 0.000 1.015 34 E CA -2.624 53.769 56.400 -0.012 0.000 0.823 34 E CB 0.808 30.525 29.700 0.027 0.000 1.081 34 E HN 0.280 nan 8.360 nan 0.000 0.396 35 P HA 0.073 nan 4.420 nan 0.000 0.244 35 P C -0.867 176.412 177.300 -0.035 0.000 1.769 35 P CA -0.053 63.060 63.100 0.021 0.000 1.102 35 P CB -0.330 31.368 31.700 -0.004 0.000 1.937 36 N N 1.546 120.110 118.700 -0.228 0.000 2.305 36 N HA 0.287 5.026 4.740 -0.001 0.000 0.248 36 N C 0.144 175.164 175.510 -0.816 0.000 1.290 36 N CA -0.594 52.278 53.050 -0.297 0.000 0.873 36 N CB 0.898 39.343 38.487 -0.070 0.000 1.261 36 N HN 0.294 nan 8.380 nan 0.000 0.504 37 G N -0.582 107.320 108.800 -1.497 0.000 2.313 37 G HA2 0.283 4.242 3.960 -0.001 0.000 0.296 37 G HA3 0.283 4.242 3.960 -0.001 0.000 0.296 37 G C -2.153 171.999 174.900 -1.247 0.000 1.356 37 G CA -0.864 43.259 45.100 -1.629 0.000 0.833 37 G HN -0.034 nan 8.290 nan 0.000 0.552 38 Y N -0.625 118.662 120.300 -1.689 0.000 2.316 38 Y HA 0.619 5.168 4.550 -0.001 0.000 0.324 38 Y C 0.907 176.652 175.900 -0.259 0.000 1.267 38 Y CA -0.723 56.941 58.100 -0.727 0.000 1.311 38 Y CB 1.033 39.199 38.460 -0.490 0.000 1.267 38 Y HN 0.379 nan 8.280 nan 0.000 0.516 39 L N 3.078 124.313 121.223 0.021 0.000 2.416 39 L HA 0.132 4.471 4.340 -0.001 0.000 0.272 39 L C 0.044 177.101 176.870 0.312 0.000 1.161 39 L CA 0.020 54.935 54.840 0.125 0.000 0.845 39 L CB -0.231 41.875 42.059 0.079 0.000 1.119 39 L HN 0.743 nan 8.230 nan 0.000 0.464 40 H N 0.392 119.756 119.070 0.490 0.000 2.693 40 H HA 0.402 4.957 4.556 -0.001 0.000 0.348 40 H C 0.968 176.414 175.328 0.197 0.000 1.222 40 H CA -0.950 55.257 56.048 0.266 0.000 1.270 40 H CB 0.397 30.273 29.762 0.190 0.000 1.798 40 H HN 0.512 nan 8.280 nan 0.000 0.592 41 I N 0.229 121.020 120.570 0.368 0.000 2.530 41 I HA -0.148 4.021 4.170 -0.001 0.000 0.257 41 I C 1.949 178.265 176.117 0.330 0.000 1.179 41 I CA 1.740 63.203 61.300 0.271 0.000 1.440 41 I CB -0.575 37.500 38.000 0.125 0.000 1.087 41 I HN 0.902 nan 8.210 nan 0.000 0.440 42 G N -0.548 108.542 108.800 0.484 0.000 2.422 42 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.218 42 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.218 42 G C 1.253 176.281 174.900 0.213 0.000 1.146 42 G CA 0.998 46.296 45.100 0.330 0.000 0.769 42 G HN 0.528 nan 8.290 nan 0.000 0.547 43 H N 0.276 119.467 119.070 0.201 0.000 2.457 43 H HA 0.204 4.759 4.556 -0.001 0.000 0.294 43 H C 2.816 178.124 175.328 -0.033 0.000 1.064 43 H CA 0.670 56.777 56.048 0.098 0.000 1.330 43 H CB 0.180 29.973 29.762 0.051 0.000 1.395 43 H HN 0.422 nan 8.280 nan 0.000 0.541 44 A N 1.046 123.954 122.820 0.146 0.000 2.015 44 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 44 A C 2.144 179.752 177.584 0.040 0.000 1.163 44 A CA 1.402 53.482 52.037 0.072 0.000 0.646 44 A CB -0.314 18.786 19.000 0.166 0.000 0.806 44 A HN 0.343 nan 8.150 nan 0.000 0.448 45 K N -0.298 120.162 120.400 0.100 0.000 2.057 45 K HA -0.111 4.209 4.320 -0.001 0.000 0.206 45 K C 2.309 178.885 176.600 -0.041 0.000 1.050 45 K CA 1.514 57.833 56.287 0.053 0.000 0.935 45 K CB -0.201 32.379 32.500 0.135 0.000 0.715 45 K HN 0.422 nan 8.250 nan 0.000 0.439 46 S N 0.476 116.207 115.700 0.052 0.000 2.387 46 S HA -0.059 4.411 4.470 -0.001 0.000 0.226 46 S C 1.927 176.435 174.600 -0.154 0.000 1.026 46 S CA 0.821 59.063 58.200 0.070 0.000 0.972 46 S CB -0.208 63.240 63.200 0.414 0.000 0.814 46 S HN 0.343 nan 8.310 nan 0.000 0.477 47 I N 0.867 121.209 120.570 -0.379 0.000 2.202 47 I HA -0.176 3.993 4.170 -0.001 0.000 0.242 47 I C 2.528 178.372 176.117 -0.455 0.000 1.091 47 I CA 0.919 61.940 61.300 -0.465 0.000 1.368 47 I CB -0.505 37.138 38.000 -0.596 0.000 1.058 47 I HN 0.412 nan 8.210 nan 0.000 0.410 48 C N 0.304 119.366 119.300 -0.395 0.000 2.429 48 C HA -0.144 4.316 4.460 -0.001 0.000 0.277 48 C C 2.703 177.541 174.990 -0.254 0.000 1.262 48 C CA 0.371 59.180 59.018 -0.348 0.000 1.733 48 C CB -0.883 26.807 27.740 -0.084 0.000 2.010 48 C HN 0.479 nan 8.230 nan 0.000 0.483 49 L N 1.371 122.450 121.223 -0.240 0.000 1.955 49 L HA -0.171 4.168 4.340 -0.001 0.000 0.213 49 L C 2.353 179.092 176.870 -0.219 0.000 1.072 49 L CA 2.040 56.722 54.840 -0.262 0.000 0.755 49 L CB -0.856 40.951 42.059 -0.419 0.000 0.888 49 L HN 0.463 nan 8.230 nan 0.000 0.432 50 N N -0.358 118.217 118.700 -0.208 0.000 2.080 50 N HA -0.182 4.558 4.740 -0.001 0.000 0.189 50 N C 1.813 177.163 175.510 -0.267 0.000 1.036 50 N CA 1.532 54.451 53.050 -0.218 0.000 0.846 50 N CB -0.424 37.942 38.487 -0.201 0.000 1.015 50 N HN 0.272 nan 8.380 nan 0.000 0.423 51 F N 1.240 121.014 119.950 -0.294 0.000 2.186 51 F HA 0.018 4.544 4.527 -0.001 0.000 0.299 51 F C 2.589 178.305 175.800 -0.139 0.000 1.090 51 F CA 1.014 58.856 58.000 -0.263 0.000 1.307 51 F CB -0.744 37.906 39.000 -0.583 0.000 1.019 51 F HN 0.076 nan 8.300 nan 0.000 0.489 52 G N 0.086 108.871 108.800 -0.026 0.000 2.402 52 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.216 52 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.216 52 G C 1.791 176.729 174.900 0.063 0.000 1.162 52 G CA 0.718 45.860 45.100 0.070 0.000 0.777 52 G HN 0.328 nan 8.290 nan 0.000 0.539 53 I N 1.273 121.856 120.570 0.020 0.000 2.226 53 I HA -0.198 3.972 4.170 -0.001 0.000 0.245 53 I C 3.293 179.507 176.117 0.161 0.000 1.100 53 I CA 0.925 62.287 61.300 0.103 0.000 1.374 53 I CB -0.167 37.798 38.000 -0.058 0.000 1.057 53 I HN 0.262 nan 8.210 nan 0.000 0.413 54 A N 1.109 123.955 122.820 0.043 0.000 1.851 54 A HA -0.303 4.016 4.320 -0.001 0.000 0.216 54 A C 2.270 179.906 177.584 0.087 0.000 1.195 54 A CA 2.181 54.238 52.037 0.034 0.000 0.622 54 A CB -0.993 17.991 19.000 -0.026 0.000 0.831 54 A HN 0.634 nan 8.150 nan 0.000 0.444 55 Q N -0.801 119.063 119.800 0.107 0.000 2.084 55 Q HA -0.238 4.102 4.340 -0.001 0.000 0.202 55 Q C 1.243 177.270 176.000 0.045 0.000 0.978 55 Q CA 1.722 57.580 55.803 0.092 0.000 0.844 55 Q CB -0.649 28.168 28.738 0.131 0.000 0.898 55 Q HN 0.526 nan 8.270 nan 0.000 0.426 56 D N 0.642 121.060 120.400 0.030 0.000 2.117 56 D HA -0.137 4.502 4.640 -0.001 0.000 0.197 56 D C 0.876 177.071 176.300 -0.176 0.000 0.987 56 D CA 1.175 55.115 54.000 -0.101 0.000 0.829 56 D CB -0.270 40.426 40.800 -0.173 0.000 0.961 56 D HN 0.402 nan 8.370 nan 0.000 0.460 57 Y N 0.805 121.080 120.300 -0.041 0.000 2.470 57 Y HA 0.114 4.664 4.550 0.000 0.000 0.302 57 Y C 0.176 176.057 175.900 -0.033 0.000 1.194 57 Y CA -0.259 57.815 58.100 -0.044 0.000 1.271 57 Y CB -0.076 38.346 38.460 -0.063 0.000 1.092 57 Y HN -0.281 nan 8.280 nan 0.000 0.513 58 K N 0.371 120.816 120.400 0.074 0.000 3.490 58 K HA -0.194 4.126 4.320 -0.001 0.000 0.273 58 K C 0.316 176.939 176.600 0.039 0.000 0.916 58 K CA 0.840 57.152 56.287 0.041 0.000 0.718 58 K CB -1.654 30.859 32.500 0.022 0.000 1.477 58 K HN 0.623 nan 8.250 nan 0.000 0.452 59 G N -0.304 108.513 108.800 0.029 0.000 3.257 59 G HA2 0.636 4.595 3.960 -0.001 0.000 0.205 59 G HA3 0.636 4.595 3.960 -0.001 0.000 0.205 59 G C -0.934 173.903 174.900 -0.106 0.000 1.234 59 G CA -0.416 44.664 45.100 -0.033 0.000 0.918 59 G HN 0.090 nan 8.290 nan 0.000 0.602 60 Q N -1.359 118.279 119.800 -0.270 0.000 2.397 60 Q HA 0.534 4.873 4.340 -0.001 0.000 0.275 60 Q C -1.536 174.195 176.000 -0.448 0.000 1.090 60 Q CA -0.518 55.041 55.803 -0.407 0.000 0.809 60 Q CB 2.122 30.445 28.738 -0.692 0.000 1.362 60 Q HN 0.562 nan 8.270 nan 0.000 0.431 61 C N 2.755 121.919 119.300 -0.226 0.000 2.516 61 C HA 0.551 5.010 4.460 -0.001 0.000 0.338 61 C C -1.037 173.907 174.990 -0.076 0.000 1.132 61 C CA -0.552 58.330 59.018 -0.227 0.000 1.310 61 C CB 0.332 27.750 27.740 -0.538 0.000 1.898 61 C HN 0.747 nan 8.230 nan 0.000 0.452 62 N N 3.022 121.738 118.700 0.026 0.000 2.495 62 N HA 0.575 5.314 4.740 -0.001 0.000 0.280 62 N C -0.824 174.677 175.510 -0.015 0.000 1.168 62 N CA -0.463 52.646 53.050 0.099 0.000 0.978 62 N CB 1.273 39.811 38.487 0.086 0.000 1.191 62 N HN 0.687 nan 8.380 nan 0.000 0.497 63 L N 0.671 121.847 121.223 -0.079 0.000 2.298 63 L HA 0.476 4.815 4.340 -0.001 0.000 0.284 63 L C -0.326 176.221 176.870 -0.539 0.000 1.013 63 L CA -0.329 54.320 54.840 -0.320 0.000 0.824 63 L CB 0.416 42.026 42.059 -0.748 0.000 1.221 63 L HN 0.509 nan 8.230 nan 0.000 0.418 64 R N 4.241 124.392 120.500 -0.582 0.000 2.561 64 R HA 0.519 4.859 4.340 -0.001 0.000 0.297 64 R C -1.613 174.238 176.300 -0.750 0.000 0.969 64 R CA -0.573 55.191 56.100 -0.560 0.000 0.879 64 R CB 1.067 31.187 30.300 -0.299 0.000 1.178 64 R HN 0.524 nan 8.270 nan 0.000 0.445 65 F N 2.793 122.489 119.950 -0.423 0.000 2.375 65 F HA 0.159 4.685 4.527 -0.001 0.000 0.362 65 F C 0.597 176.336 175.800 -0.102 0.000 1.129 65 F CA -0.441 57.386 58.000 -0.287 0.000 1.154 65 F CB 1.116 39.934 39.000 -0.304 0.000 1.205 65 F HN 0.387 nan 8.300 nan 0.000 0.513 66 D N 3.804 124.223 120.400 0.031 0.000 2.600 66 D HA -0.018 4.621 4.640 -0.001 0.000 0.226 66 D C -0.190 176.235 176.300 0.209 0.000 1.119 66 D CA 0.060 54.127 54.000 0.111 0.000 1.051 66 D CB -0.246 40.628 40.800 0.123 0.000 1.106 66 D HN 0.423 nan 8.370 nan 0.000 0.491 67 D N 0.370 120.937 120.400 0.278 0.000 2.767 67 D HA -0.007 4.632 4.640 -0.001 0.000 0.241 67 D C 1.030 177.613 176.300 0.472 0.000 1.187 67 D CA -0.445 53.787 54.000 0.388 0.000 0.999 67 D CB 0.044 41.146 40.800 0.503 0.000 1.042 67 D HN 0.092 nan 8.370 nan 0.000 0.510 68 T N -2.780 111.995 114.554 0.368 0.000 3.044 68 T HA 0.056 4.405 4.350 -0.001 0.000 0.250 68 T C 0.683 175.513 174.700 0.217 0.000 1.081 68 T CA -0.380 61.941 62.100 0.369 0.000 1.040 68 T CB -0.064 68.969 68.868 0.275 0.000 0.962 68 T HN 0.111 nan 8.240 nan 0.000 0.506 69 N N 2.635 121.430 118.700 0.159 0.000 2.898 69 N HA 0.306 5.046 4.740 -0.001 0.000 0.245 69 N C -1.820 173.689 175.510 -0.002 0.000 1.185 69 N CA -2.535 50.535 53.050 0.035 0.000 0.879 69 N CB 1.688 40.215 38.487 0.067 0.000 1.157 69 N HN 0.023 nan 8.380 nan 0.000 0.503 70 P HA -0.226 nan 4.420 nan 0.000 0.216 70 P C 1.377 178.659 177.300 -0.031 0.000 1.157 70 P CA 1.483 64.517 63.100 -0.110 0.000 0.880 70 P CB 0.081 31.626 31.700 -0.258 0.000 0.791 71 V N -2.771 117.121 119.914 -0.036 0.000 2.828 71 V HA -0.098 4.022 4.120 -0.001 0.000 0.260 71 V C 1.774 177.899 176.094 0.052 0.000 1.101 71 V CA 1.684 63.996 62.300 0.021 0.000 1.123 71 V CB -1.323 30.518 31.823 0.029 0.000 0.704 71 V HN -0.014 nan 8.190 nan 0.000 0.493 72 K N 0.263 120.697 120.400 0.058 0.000 2.358 72 K HA 0.393 4.712 4.320 -0.001 0.000 0.200 72 K C 0.302 176.969 176.600 0.111 0.000 1.030 72 K CA 0.126 56.465 56.287 0.087 0.000 1.097 72 K CB 0.702 33.248 32.500 0.076 0.000 0.862 72 K HN 0.685 nan 8.250 nan 0.000 0.534 73 E N 0.592 120.845 120.200 0.089 0.000 2.235 73 E HA 0.350 4.699 4.350 -0.001 0.000 0.265 73 E C -1.323 175.248 176.600 -0.049 0.000 0.940 73 E CA -0.658 55.773 56.400 0.052 0.000 0.819 73 E CB 1.652 31.371 29.700 0.033 0.000 1.206 73 E HN -0.125 nan 8.360 nan 0.000 0.409 74 D N 0.284 120.583 120.400 -0.168 0.000 2.661 74 D HA 0.202 4.841 4.640 -0.001 0.000 0.228 74 D C -0.239 175.758 176.300 -0.505 0.000 1.210 74 D CA -0.593 53.203 54.000 -0.341 0.000 0.826 74 D CB 1.521 42.055 40.800 -0.445 0.000 1.542 74 D HN 0.322 nan 8.370 nan 0.000 0.447 75 I N 1.735 122.065 120.570 -0.401 0.000 2.493 75 I HA -0.029 4.140 4.170 -0.001 0.000 0.254 75 I C 1.842 177.765 176.117 -0.324 0.000 1.160 75 I CA 1.233 62.333 61.300 -0.333 0.000 1.445 75 I CB -0.160 37.734 38.000 -0.177 0.000 1.086 75 I HN 0.619 nan 8.210 nan 0.000 0.433 76 E N -0.460 119.506 120.200 -0.390 0.000 2.118 76 E HA -0.276 4.074 4.350 -0.001 0.000 0.195 76 E C 1.947 178.326 176.600 -0.368 0.000 0.992 76 E CA 1.484 57.664 56.400 -0.367 0.000 0.804 76 E CB -0.177 29.263 29.700 -0.434 0.000 0.741 76 E HN 0.554 nan 8.360 nan 0.000 0.458 77 Y N 0.012 120.127 120.300 -0.308 0.000 2.220 77 Y HA -0.152 4.397 4.550 -0.001 0.000 0.291 77 Y C 2.549 178.223 175.900 -0.378 0.000 1.129 77 Y CA 0.977 58.835 58.100 -0.405 0.000 1.161 77 Y CB -1.193 37.069 38.460 -0.330 0.000 0.997 77 Y HN 0.105 nan 8.280 nan 0.000 0.522 78 V N 0.033 119.768 119.914 -0.299 0.000 2.343 78 V HA -0.273 3.847 4.120 -0.001 0.000 0.247 78 V C 1.783 177.685 176.094 -0.321 0.000 1.051 78 V CA 2.356 64.291 62.300 -0.607 0.000 1.036 78 V CB -0.515 30.654 31.823 -1.091 0.000 0.654 78 V HN 0.428 nan 8.190 nan 0.000 0.451 79 E N 1.516 121.570 120.200 -0.243 0.000 2.085 79 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 79 E C 2.446 178.975 176.600 -0.118 0.000 0.994 79 E CA 1.899 58.218 56.400 -0.135 0.000 0.801 79 E CB -0.326 29.301 29.700 -0.121 0.000 0.743 79 E HN 0.906 nan 8.360 nan 0.000 0.453 80 S N 0.717 116.273 115.700 -0.240 0.000 2.383 80 S HA -0.119 4.351 4.470 -0.001 0.000 0.227 80 S C 2.076 176.555 174.600 -0.202 0.000 1.026 80 S CA 0.649 58.642 58.200 -0.345 0.000 0.981 80 S CB -0.414 62.196 63.200 -0.984 0.000 0.818 80 S HN 0.148 nan 8.310 nan 0.000 0.472 81 I N 1.742 122.242 120.570 -0.116 0.000 2.142 81 I HA -0.151 4.018 4.170 -0.001 0.000 0.240 81 I C 2.804 178.971 176.117 0.084 0.000 1.078 81 I CA 1.372 62.682 61.300 0.018 0.000 1.343 81 I CB -0.290 37.805 38.000 0.159 0.000 1.046 81 I HN 0.230 nan 8.210 nan 0.000 0.405 82 K N 0.439 120.921 120.400 0.137 0.000 2.103 82 K HA -0.242 4.077 4.320 -0.001 0.000 0.207 82 K C 2.012 178.745 176.600 0.223 0.000 1.048 82 K CA 1.635 58.007 56.287 0.143 0.000 0.930 82 K CB -0.260 32.349 32.500 0.181 0.000 0.716 82 K HN 0.228 nan 8.250 nan 0.000 0.444 83 N N 1.554 120.336 118.700 0.136 0.000 2.084 83 N HA -0.162 4.577 4.740 -0.001 0.000 0.190 83 N C 1.186 176.798 175.510 0.170 0.000 1.030 83 N CA 1.624 54.752 53.050 0.130 0.000 0.849 83 N CB -0.165 38.352 38.487 0.049 0.000 1.012 83 N HN 0.114 nan 8.380 nan 0.000 0.423 84 D N -0.162 120.321 120.400 0.138 0.000 2.144 84 D HA -0.069 4.570 4.640 -0.001 0.000 0.200 84 D C 2.072 178.515 176.300 0.238 0.000 0.978 84 D CA 0.597 54.726 54.000 0.214 0.000 0.833 84 D CB -0.170 40.721 40.800 0.150 0.000 0.961 84 D HN 0.096 nan 8.370 nan 0.000 0.470 85 V N 1.520 121.530 119.914 0.161 0.000 2.295 85 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 85 V C 2.341 178.491 176.094 0.094 0.000 1.049 85 V CA 1.691 64.048 62.300 0.094 0.000 1.024 85 V CB -0.460 31.428 31.823 0.109 0.000 0.648 85 V HN 0.187 nan 8.190 nan 0.000 0.447 86 E N -1.164 119.144 120.200 0.180 0.000 2.038 86 E HA -0.301 4.048 4.350 -0.001 0.000 0.195 86 E C 1.949 178.540 176.600 -0.014 0.000 1.000 86 E CA 1.796 58.218 56.400 0.037 0.000 0.803 86 E CB -0.311 29.456 29.700 0.111 0.000 0.750 86 E HN 0.741 nan 8.360 nan 0.000 0.448 87 W N 1.695 122.965 121.300 -0.050 0.000 2.325 87 W HA -0.196 4.464 4.660 -0.000 0.000 0.299 87 W C 1.729 178.190 176.519 -0.096 0.000 1.215 87 W CA 1.363 58.672 57.345 -0.059 0.000 1.244 87 W CB -0.279 29.172 29.460 -0.015 0.000 1.140 87 W HN -0.004 nan 8.180 nan 0.000 0.523 88 L N 0.199 121.304 121.223 -0.197 0.000 2.265 88 L HA 0.006 4.346 4.340 -0.001 0.000 0.215 88 L C 1.965 178.440 176.870 -0.659 0.000 1.117 88 L CA 1.420 56.019 54.840 -0.401 0.000 0.782 88 L CB -0.923 41.156 42.059 0.033 0.000 0.914 88 L HN 0.375 nan 8.230 nan 0.000 0.441 89 G N -1.423 106.993 108.800 -0.640 0.000 2.148 89 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.157 89 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.157 89 G C -0.165 174.121 174.900 -1.023 0.000 1.012 89 G CA -0.673 43.940 45.100 -0.812 0.000 0.677 89 G HN 0.107 nan 8.290 nan 0.000 0.506 90 F N 1.291 120.910 119.950 -0.552 0.000 2.507 90 F HA 0.725 5.251 4.527 -0.001 0.000 0.327 90 F C 0.631 175.961 175.800 -0.783 0.000 1.068 90 F CA -0.941 56.684 58.000 -0.624 0.000 0.965 90 F CB 1.399 39.900 39.000 -0.831 0.000 1.192 90 F HN 0.040 nan 8.300 nan 0.000 0.476 91 H N 0.577 119.654 119.070 0.012 0.000 2.529 91 H HA 0.192 4.747 4.556 -0.001 0.000 0.348 91 H C -1.029 174.476 175.328 0.295 0.000 1.079 91 H CA -1.093 54.901 56.048 -0.091 0.000 1.198 91 H CB 1.266 30.935 29.762 -0.155 0.000 1.521 91 H HN 0.804 nan 8.280 nan 0.000 0.514 92 W N 1.394 122.949 121.300 0.425 0.000 2.253 92 W HA 0.456 5.115 4.660 -0.001 0.000 0.348 92 W C 0.231 176.901 176.519 0.252 0.000 1.229 92 W CA -1.122 56.507 57.345 0.473 0.000 1.335 92 W CB 0.370 30.068 29.460 0.397 0.000 1.165 92 W HN 0.346 nan 8.180 nan 0.000 0.631 93 S N 2.023 117.993 115.700 0.449 0.000 2.422 93 S HA 0.483 4.952 4.470 -0.001 0.000 0.283 93 S C 0.693 175.480 174.600 0.312 0.000 1.163 93 S CA 0.628 58.984 58.200 0.260 0.000 1.054 93 S CB -0.942 62.346 63.200 0.147 0.000 0.967 93 S HN 1.479 nan 8.310 nan 0.000 0.499 94 G N 5.941 114.880 108.800 0.233 0.000 2.569 94 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.259 94 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.259 94 G C -0.201 174.910 174.900 0.352 0.000 1.263 94 G CA -0.201 45.036 45.100 0.228 0.000 0.928 94 G HN 0.730 nan 8.290 nan 0.000 0.572 95 N N -0.714 118.162 118.700 0.293 0.000 2.354 95 N HA 0.396 5.135 4.740 -0.001 0.000 0.246 95 N C 0.541 176.246 175.510 0.325 0.000 1.285 95 N CA -0.154 53.092 53.050 0.328 0.000 0.925 95 N CB 0.717 39.336 38.487 0.220 0.000 1.174 95 N HN 0.595 nan 8.380 nan 0.000 0.478 96 V N 2.247 122.310 119.914 0.249 0.000 2.555 96 V HA 0.143 4.262 4.120 -0.001 0.000 0.286 96 V C 0.673 176.744 176.094 -0.039 0.000 1.044 96 V CA -0.140 62.109 62.300 -0.085 0.000 1.026 96 V CB 0.261 32.039 31.823 -0.076 0.000 0.981 96 V HN 0.472 nan 8.190 nan 0.000 0.480 97 R N 3.775 124.172 120.500 -0.170 0.000 2.691 97 R HA 0.627 4.967 4.340 -0.001 0.000 0.259 97 R C -1.348 174.794 176.300 -0.263 0.000 1.048 97 R CA -0.647 55.401 56.100 -0.086 0.000 1.086 97 R CB 0.972 31.258 30.300 -0.025 0.000 1.166 97 R HN 0.607 nan 8.270 nan 0.000 0.526 98 Y N -1.519 118.697 120.300 -0.140 0.000 2.513 98 Y HA 0.151 4.701 4.550 -0.001 0.000 0.340 98 Y C 1.205 176.913 175.900 -0.320 0.000 1.055 98 Y CA -0.570 57.458 58.100 -0.121 0.000 1.020 98 Y CB 2.471 40.851 38.460 -0.133 0.000 1.301 98 Y HN 0.508 nan 8.280 nan 0.000 0.453 99 S N 0.275 115.959 115.700 -0.027 0.000 2.400 99 S HA -0.202 4.267 4.470 -0.001 0.000 0.232 99 S C 1.965 176.344 174.600 -0.368 0.000 1.025 99 S CA 1.901 60.081 58.200 -0.034 0.000 0.993 99 S CB -0.317 62.944 63.200 0.101 0.000 0.808 99 S HN 0.809 nan 8.310 nan 0.000 0.478 100 S N 1.654 116.960 115.700 -0.657 0.000 2.469 100 S HA -0.126 4.343 4.470 -0.001 0.000 0.238 100 S C 1.100 175.096 174.600 -1.006 0.000 0.998 100 S CA 1.029 58.286 58.200 -1.571 0.000 0.957 100 S CB -0.411 62.023 63.200 -1.277 0.000 0.764 100 S HN 0.372 nan 8.310 nan 0.000 0.514 101 D N 0.904 120.864 120.400 -0.732 0.000 2.264 101 D HA -0.035 4.605 4.640 -0.001 0.000 0.208 101 D C 0.521 176.496 176.300 -0.542 0.000 0.966 101 D CA 0.942 54.561 54.000 -0.635 0.000 0.864 101 D CB -0.250 40.095 40.800 -0.758 0.000 0.933 101 D HN 0.631 nan 8.370 nan 0.000 0.499 102 Y N -0.951 119.279 120.300 -0.116 0.000 2.524 102 Y HA 0.169 4.718 4.550 -0.001 0.000 0.266 102 Y C 1.447 177.418 175.900 0.117 0.000 1.180 102 Y CA -0.806 57.292 58.100 -0.003 0.000 1.244 102 Y CB -0.445 37.998 38.460 -0.028 0.000 1.125 102 Y HN -0.182 nan 8.280 nan 0.000 0.524 103 F N 1.083 120.991 119.950 -0.069 0.000 2.192 103 F HA -0.236 4.291 4.527 -0.001 0.000 0.301 103 F C 1.770 177.515 175.800 -0.092 0.000 1.079 103 F CA 0.968 58.797 58.000 -0.285 0.000 1.303 103 F CB -0.541 38.032 39.000 -0.711 0.000 1.024 103 F HN 0.225 nan 8.300 nan 0.000 0.494 104 D N -0.739 119.885 120.400 0.374 0.000 2.137 104 D HA -0.134 4.505 4.640 -0.001 0.000 0.202 104 D C 2.176 178.664 176.300 0.313 0.000 0.970 104 D CA 0.788 55.041 54.000 0.422 0.000 0.837 104 D CB -0.220 40.772 40.800 0.319 0.000 0.981 104 D HN 0.240 nan 8.370 nan 0.000 0.475 105 Q N 0.263 120.208 119.800 0.242 0.000 2.050 105 Q HA -0.089 4.250 4.340 -0.001 0.000 0.202 105 Q C 2.079 178.212 176.000 0.222 0.000 0.980 105 Q CA 0.691 56.587 55.803 0.155 0.000 0.840 105 Q CB -0.189 28.659 28.738 0.185 0.000 0.898 105 Q HN 0.106 nan 8.270 nan 0.000 0.424 106 L N -0.469 120.929 121.223 0.292 0.000 2.046 106 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 106 L C 2.232 179.446 176.870 0.573 0.000 1.077 106 L CA 2.128 57.166 54.840 0.330 0.000 0.747 106 L CB -1.306 40.892 42.059 0.232 0.000 0.896 106 L HN 0.425 nan 8.230 nan 0.000 0.432 107 H N -0.596 118.718 119.070 0.406 0.000 2.421 107 H HA -0.055 4.500 4.556 -0.001 0.000 0.298 107 H C 2.004 177.533 175.328 0.334 0.000 1.087 107 H CA 1.449 57.739 56.048 0.404 0.000 1.330 107 H CB 0.294 30.262 29.762 0.344 0.000 1.388 107 H HN 0.280 nan 8.280 nan 0.000 0.526 108 A N -0.316 122.628 122.820 0.206 0.000 1.897 108 A HA -0.118 4.202 4.320 -0.001 0.000 0.215 108 A C 1.946 179.525 177.584 -0.007 0.000 1.181 108 A CA 1.195 53.242 52.037 0.017 0.000 0.620 108 A CB -0.956 17.991 19.000 -0.088 0.000 0.821 108 A HN 0.518 nan 8.150 nan 0.000 0.443 109 Y N 0.112 120.501 120.300 0.147 0.000 2.224 109 Y HA -0.080 4.470 4.550 -0.001 0.000 0.289 109 Y C 2.891 178.930 175.900 0.231 0.000 1.146 109 Y CA 0.560 58.754 58.100 0.157 0.000 1.182 109 Y CB -0.661 37.861 38.460 0.103 0.000 0.983 109 Y HN 0.331 nan 8.280 nan 0.000 0.524 110 A N -0.061 123.036 122.820 0.462 0.000 1.933 110 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 110 A C 2.242 179.768 177.584 -0.097 0.000 1.175 110 A CA 1.597 53.685 52.037 0.084 0.000 0.628 110 A CB -1.006 17.972 19.000 -0.035 0.000 0.814 110 A HN 0.473 nan 8.150 nan 0.000 0.444 111 I N -0.668 119.871 120.570 -0.052 0.000 2.493 111 I HA -0.218 3.952 4.170 -0.001 0.000 0.254 111 I C 2.485 178.597 176.117 -0.009 0.000 1.160 111 I CA 1.601 62.869 61.300 -0.054 0.000 1.445 111 I CB -0.249 37.721 38.000 -0.050 0.000 1.086 111 I HN 0.570 nan 8.210 nan 0.000 0.433 112 E N 1.610 121.832 120.200 0.038 0.000 2.047 112 E HA -0.187 4.162 4.350 -0.001 0.000 0.191 112 E C 2.389 179.013 176.600 0.039 0.000 0.987 112 E CA 0.983 57.414 56.400 0.052 0.000 0.799 112 E CB 0.007 29.777 29.700 0.117 0.000 0.752 112 E HN 0.422 nan 8.360 nan 0.000 0.449 113 L N 0.773 122.024 121.223 0.048 0.000 2.042 113 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 113 L C 2.583 179.462 176.870 0.015 0.000 1.076 113 L CA 1.027 55.883 54.840 0.027 0.000 0.749 113 L CB -0.427 41.656 42.059 0.041 0.000 0.893 113 L HN 0.291 nan 8.230 nan 0.000 0.432 114 I N 0.038 120.590 120.570 -0.030 0.000 2.142 114 I HA -0.323 3.847 4.170 -0.001 0.000 0.240 114 I C 2.001 178.126 176.117 0.013 0.000 1.078 114 I CA 1.812 63.099 61.300 -0.022 0.000 1.343 114 I CB -0.479 37.481 38.000 -0.067 0.000 1.046 114 I HN 0.333 nan 8.210 nan 0.000 0.405 115 N N 0.376 119.082 118.700 0.010 0.000 2.272 115 N HA -0.210 4.529 4.740 -0.001 0.000 0.185 115 N C 1.594 177.116 175.510 0.019 0.000 1.014 115 N CA 0.852 53.912 53.050 0.017 0.000 0.870 115 N CB -0.022 38.474 38.487 0.014 0.000 0.975 115 N HN 0.248 nan 8.380 nan 0.000 0.433 116 K N -0.044 120.368 120.400 0.020 0.000 2.404 116 K HA 0.060 4.379 4.320 -0.001 0.000 0.194 116 K C 0.698 177.320 176.600 0.037 0.000 1.023 116 K CA 0.249 56.547 56.287 0.019 0.000 1.094 116 K CB 0.272 32.774 32.500 0.003 0.000 0.841 116 K HN 0.214 nan 8.250 nan 0.000 0.523 117 G N 1.156 109.984 108.800 0.048 0.000 2.168 117 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.263 117 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.263 117 G C 0.482 175.447 174.900 0.108 0.000 0.977 117 G CA 0.441 45.580 45.100 0.066 0.000 0.659 117 G HN 0.342 nan 8.290 nan 0.000 0.533 118 L N -0.144 121.158 121.223 0.131 0.000 2.611 118 L HA 0.605 4.945 4.340 -0.001 0.000 0.229 118 L C 1.173 178.202 176.870 0.265 0.000 1.137 118 L CA 0.607 55.593 54.840 0.244 0.000 0.901 118 L CB -0.064 42.159 42.059 0.272 0.000 1.098 118 L HN 0.574 nan 8.230 nan 0.000 0.456 119 A N -0.153 122.765 122.820 0.163 0.000 2.594 119 A HA 0.719 5.038 4.320 -0.001 0.000 0.295 119 A C -1.671 175.983 177.584 0.116 0.000 1.071 119 A CA -0.424 51.652 52.037 0.064 0.000 0.685 119 A CB 1.464 20.401 19.000 -0.105 0.000 1.285 119 A HN 0.178 nan 8.150 nan 0.000 0.405 120 Y N -1.497 118.749 120.300 -0.090 0.000 2.609 120 Y HA 0.680 5.230 4.550 -0.001 0.000 0.336 120 Y C -1.288 174.566 175.900 -0.078 0.000 1.129 120 Y CA -1.521 56.542 58.100 -0.062 0.000 1.040 120 Y CB 0.813 39.264 38.460 -0.015 0.000 1.310 120 Y HN 0.471 nan 8.280 nan 0.000 0.460 121 V N 3.125 123.020 119.914 -0.032 0.000 2.408 121 V HA 0.218 4.338 4.120 -0.001 0.000 0.267 121 V C -0.528 175.521 176.094 -0.076 0.000 1.047 121 V CA 0.030 62.258 62.300 -0.120 0.000 0.937 121 V CB 0.661 32.475 31.823 -0.015 0.000 0.999 121 V HN 0.754 nan 8.190 nan 0.000 0.472 122 D N 3.506 123.769 120.400 -0.229 0.000 2.175 122 D HA 0.313 4.953 4.640 -0.001 0.000 0.248 122 D C 0.593 176.708 176.300 -0.308 0.000 1.047 122 D CA -0.361 53.574 54.000 -0.109 0.000 0.883 122 D CB 1.824 42.573 40.800 -0.085 0.000 1.180 122 D HN 0.606 nan 8.370 nan 0.000 0.438 123 E N 1.566 121.450 120.200 -0.528 0.000 2.538 123 E HA 0.086 4.436 4.350 -0.001 0.000 0.207 123 E C -0.092 176.324 176.600 -0.306 0.000 1.002 123 E CA -0.510 55.523 56.400 -0.612 0.000 0.952 123 E CB 0.620 29.759 29.700 -0.936 0.000 1.031 123 E HN 0.226 nan 8.360 nan 0.000 0.476 124 L N 2.705 123.858 121.223 -0.116 0.000 2.499 124 L HA -0.010 4.329 4.340 -0.001 0.000 0.273 124 L C 1.089 177.915 176.870 -0.073 0.000 1.195 124 L CA 0.596 55.406 54.840 -0.051 0.000 0.882 124 L CB 0.469 42.453 42.059 -0.126 0.000 1.133 124 L HN 0.089 nan 8.230 nan 0.000 0.483 125 T N 2.078 116.610 114.554 -0.036 0.000 2.734 125 T HA 0.127 4.476 4.350 -0.001 0.000 0.314 125 T C -1.730 172.961 174.700 -0.015 0.000 1.057 125 T CA -1.061 61.027 62.100 -0.021 0.000 1.047 125 T CB 0.202 69.076 68.868 0.010 0.000 0.991 125 T HN 0.499 nan 8.240 nan 0.000 0.540 126 P HA -0.016 nan 4.420 nan 0.000 0.222 126 P C 1.088 178.399 177.300 0.020 0.000 1.147 126 P CA 0.817 63.920 63.100 0.005 0.000 0.790 126 P CB 0.071 31.780 31.700 0.014 0.000 0.780 127 E N -0.763 119.453 120.200 0.028 0.000 2.076 127 E HA -0.111 4.238 4.350 -0.001 0.000 0.190 127 E C 2.054 178.690 176.600 0.060 0.000 0.979 127 E CA 1.018 57.444 56.400 0.042 0.000 0.807 127 E CB -0.845 28.881 29.700 0.044 0.000 0.761 127 E HN 0.333 nan 8.360 nan 0.000 0.454 128 Q N 0.295 120.127 119.800 0.054 0.000 2.124 128 Q HA -0.100 4.239 4.340 -0.001 0.000 0.202 128 Q C 2.274 178.322 176.000 0.081 0.000 0.977 128 Q CA 1.021 56.872 55.803 0.079 0.000 0.850 128 Q CB -0.174 28.561 28.738 -0.005 0.000 0.901 128 Q HN 0.331 nan 8.270 nan 0.000 0.429 129 I N 0.567 121.150 120.570 0.023 0.000 2.226 129 I HA -0.335 3.835 4.170 -0.001 0.000 0.245 129 I C 2.598 178.768 176.117 0.089 0.000 1.100 129 I CA 1.224 62.542 61.300 0.031 0.000 1.374 129 I CB -0.049 37.950 38.000 -0.001 0.000 1.057 129 I HN 0.152 nan 8.210 nan 0.000 0.413 130 R N 0.873 121.417 120.500 0.074 0.000 2.073 130 R HA -0.219 4.121 4.340 -0.001 0.000 0.234 130 R C 2.105 178.464 176.300 0.098 0.000 1.134 130 R CA 2.041 58.184 56.100 0.071 0.000 0.952 130 R CB -0.270 30.060 30.300 0.050 0.000 0.850 130 R HN 0.464 nan 8.270 nan 0.000 0.433 131 E N -0.834 119.445 120.200 0.131 0.000 2.160 131 E HA -0.226 4.124 4.350 -0.001 0.000 0.195 131 E C 1.593 178.287 176.600 0.158 0.000 0.991 131 E CA 1.351 57.834 56.400 0.138 0.000 0.810 131 E CB -0.080 29.724 29.700 0.174 0.000 0.742 131 E HN 0.449 nan 8.360 nan 0.000 0.466 132 Y N 0.238 120.548 120.300 0.017 0.000 2.517 132 Y HA 0.077 4.627 4.550 -0.001 0.000 0.281 132 Y C 2.173 178.080 175.900 0.011 0.000 1.125 132 Y CA 0.250 58.359 58.100 0.016 0.000 1.283 132 Y CB 0.097 38.574 38.460 0.028 0.000 1.042 132 Y HN -0.119 nan 8.280 nan 0.000 0.547 133 R N 0.277 120.872 120.500 0.159 0.000 2.127 133 R HA 0.008 4.347 4.340 -0.001 0.000 0.238 133 R C 0.898 177.225 176.300 0.045 0.000 1.134 133 R CA 1.143 57.295 56.100 0.088 0.000 0.975 133 R CB -0.442 29.897 30.300 0.064 0.000 0.865 133 R HN 0.514 nan 8.270 nan 0.000 0.447 134 G N -1.105 107.710 108.800 0.025 0.000 2.610 134 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.304 134 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.304 134 G C -0.250 174.649 174.900 -0.002 0.000 1.309 134 G CA -0.297 44.803 45.100 -0.000 0.000 0.906 134 G HN 0.412 nan 8.290 nan 0.000 0.521 135 T N -2.612 111.935 114.554 -0.012 0.000 2.724 135 T HA 0.698 5.048 4.350 -0.001 0.000 0.274 135 T C 1.672 176.360 174.700 -0.021 0.000 0.984 135 T CA -0.013 62.079 62.100 -0.014 0.000 1.024 135 T CB 1.245 70.103 68.868 -0.018 0.000 1.320 135 T HN 0.954 nan 8.240 nan 0.000 0.555 136 L N 0.694 121.902 121.223 -0.025 0.000 2.362 136 L HA 0.066 4.405 4.340 -0.001 0.000 0.219 136 L C 2.273 179.118 176.870 -0.042 0.000 1.134 136 L CA 1.514 56.333 54.840 -0.035 0.000 0.807 136 L CB -0.709 41.328 42.059 -0.037 0.000 0.927 136 L HN 0.986 nan 8.230 nan 0.000 0.447 137 T N -5.949 108.583 114.554 -0.035 0.000 3.004 137 T HA 0.143 4.493 4.350 -0.001 0.000 0.266 137 T C 0.648 175.328 174.700 -0.034 0.000 0.986 137 T CA -0.288 61.790 62.100 -0.037 0.000 0.902 137 T CB 0.541 69.388 68.868 -0.034 0.000 1.118 137 T HN 0.085 nan 8.240 nan 0.000 0.522 138 Q N 2.495 122.277 119.800 -0.030 0.000 2.333 138 Q HA 0.431 4.771 4.340 -0.001 0.000 0.267 138 Q C -2.766 173.217 176.000 -0.027 0.000 1.012 138 Q CA -2.715 53.070 55.803 -0.030 0.000 0.824 138 Q CB 2.592 31.312 28.738 -0.030 0.000 1.290 138 Q HN 0.186 nan 8.270 nan 0.000 0.449 139 P HA 0.024 nan 4.420 nan 0.000 0.272 139 P C -0.173 177.116 177.300 -0.019 0.000 1.223 139 P CA 0.016 63.104 63.100 -0.021 0.000 0.784 139 P CB 0.821 32.508 31.700 -0.020 0.000 0.923 140 G N 1.629 110.426 108.800 -0.004 0.000 2.553 140 G HA2 0.480 4.440 3.960 -0.001 0.000 0.278 140 G HA3 0.480 4.440 3.960 -0.001 0.000 0.278 140 G C -0.532 174.368 174.900 -0.001 0.000 1.349 140 G CA -0.622 44.482 45.100 0.007 0.000 1.037 140 G HN 0.707 nan 8.290 nan 0.000 0.508 141 K N -1.157 119.254 120.400 0.019 0.000 2.469 141 K HA 0.306 4.625 4.320 -0.001 0.000 0.254 141 K C -0.828 175.856 176.600 0.140 0.000 0.939 141 K CA -0.874 55.419 56.287 0.010 0.000 0.812 141 K CB 1.799 34.226 32.500 -0.122 0.000 1.301 141 K HN 0.478 nan 8.250 nan 0.000 0.433 142 N N 0.969 119.729 118.700 0.101 0.000 2.458 142 N HA -0.059 4.680 4.740 -0.001 0.000 0.258 142 N C -0.384 175.258 175.510 0.220 0.000 1.219 142 N CA 0.062 53.180 53.050 0.113 0.000 0.902 142 N CB 0.845 39.340 38.487 0.015 0.000 1.076 142 N HN 0.574 nan 8.380 nan 0.000 0.455 143 S N 2.101 117.879 115.700 0.130 0.000 2.576 143 S HA 0.140 4.609 4.470 -0.001 0.000 0.276 143 S C -1.347 173.205 174.600 -0.079 0.000 1.339 143 S CA -1.489 56.717 58.200 0.009 0.000 1.039 143 S CB 0.702 63.958 63.200 0.094 0.000 0.902 143 S HN 0.447 nan 8.310 nan 0.000 0.516 144 P HA 0.021 nan 4.420 nan 0.000 0.242 144 P C -0.133 176.887 177.300 -0.467 0.000 1.197 144 P CA 0.787 63.661 63.100 -0.375 0.000 0.765 144 P CB -0.146 31.260 31.700 -0.490 0.000 0.936 145 Y N -1.003 119.280 120.300 -0.027 0.000 2.467 145 Y HA 0.322 4.872 4.550 -0.001 0.000 0.250 145 Y C 2.530 178.369 175.900 -0.100 0.000 1.155 145 Y CA -0.416 57.684 58.100 -0.001 0.000 1.249 145 Y CB -0.515 37.986 38.460 0.069 0.000 1.146 145 Y HN -0.190 nan 8.280 nan 0.000 0.524 146 R N 0.689 121.053 120.500 -0.228 0.000 2.193 146 R HA -0.115 4.224 4.340 -0.001 0.000 0.229 146 R C -0.103 175.877 176.300 -0.535 0.000 1.110 146 R CA 1.466 57.075 56.100 -0.818 0.000 0.988 146 R CB 0.035 29.971 30.300 -0.607 0.000 0.871 146 R HN 0.189 nan 8.270 nan 0.000 0.458 147 D N 0.423 120.687 120.400 -0.225 0.000 2.755 147 D HA 0.082 4.721 4.640 -0.001 0.000 0.257 147 D C -0.277 176.001 176.300 -0.038 0.000 1.291 147 D CA -0.052 53.874 54.000 -0.124 0.000 0.836 147 D CB 0.328 41.074 40.800 -0.090 0.000 1.059 147 D HN 0.142 nan 8.370 nan 0.000 0.486 148 R N 0.523 121.027 120.500 0.007 0.000 2.707 148 R HA 0.252 4.592 4.340 -0.001 0.000 0.270 148 R C 1.006 177.335 176.300 0.049 0.000 1.083 148 R CA -0.195 55.941 56.100 0.061 0.000 1.182 148 R CB 0.531 30.903 30.300 0.119 0.000 1.084 148 R HN 0.064 nan 8.270 nan 0.000 0.528 149 S N -0.448 115.283 115.700 0.052 0.000 2.614 149 S HA 0.055 4.525 4.470 -0.001 0.000 0.265 149 S C 1.478 176.111 174.600 0.055 0.000 1.303 149 S CA -0.975 57.252 58.200 0.044 0.000 1.000 149 S CB 1.151 64.374 63.200 0.038 0.000 0.935 149 S HN 0.357 nan 8.310 nan 0.000 0.551 150 V N 1.652 121.593 119.914 0.046 0.000 2.287 150 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 150 V C 2.611 178.736 176.094 0.051 0.000 1.053 150 V CA 2.446 64.774 62.300 0.047 0.000 1.027 150 V CB -1.335 30.510 31.823 0.035 0.000 0.646 150 V HN 0.871 nan 8.190 nan 0.000 0.447 151 E N 0.124 120.351 120.200 0.045 0.000 2.049 151 E HA -0.241 4.108 4.350 -0.001 0.000 0.198 151 E C 2.192 178.827 176.600 0.059 0.000 1.007 151 E CA 1.786 58.214 56.400 0.046 0.000 0.809 151 E CB -0.334 29.388 29.700 0.038 0.000 0.749 151 E HN 0.668 nan 8.360 nan 0.000 0.450 152 E N 0.168 120.407 120.200 0.065 0.000 2.031 152 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 152 E C 1.970 178.629 176.600 0.100 0.000 0.994 152 E CA 1.197 57.645 56.400 0.081 0.000 0.800 152 E CB -0.279 29.473 29.700 0.087 0.000 0.752 152 E HN 0.321 nan 8.360 nan 0.000 0.447 153 N N 0.345 119.105 118.700 0.100 0.000 2.104 153 N HA -0.186 4.554 4.740 -0.001 0.000 0.190 153 N C 1.705 177.291 175.510 0.126 0.000 1.024 153 N CA 0.580 53.694 53.050 0.107 0.000 0.853 153 N CB -0.020 38.519 38.487 0.087 0.000 1.008 153 N HN -0.010 nan 8.380 nan 0.000 0.424 154 L N 1.194 122.481 121.223 0.107 0.000 1.989 154 L HA -0.120 4.220 4.340 -0.001 0.000 0.211 154 L C 2.394 179.346 176.870 0.137 0.000 1.071 154 L CA 1.493 56.407 54.840 0.124 0.000 0.749 154 L CB -1.288 40.820 42.059 0.080 0.000 0.890 154 L HN 0.149 nan 8.230 nan 0.000 0.431 155 A N -1.161 121.721 122.820 0.103 0.000 1.877 155 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 155 A C 2.174 179.825 177.584 0.112 0.000 1.186 155 A CA 1.592 53.679 52.037 0.084 0.000 0.620 155 A CB -0.776 18.263 19.000 0.065 0.000 0.822 155 A HN 0.319 nan 8.150 nan 0.000 0.443 156 L N -1.797 119.521 121.223 0.159 0.000 2.046 156 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 156 L C 2.280 179.320 176.870 0.283 0.000 1.077 156 L CA 1.627 56.609 54.840 0.237 0.000 0.747 156 L CB -1.396 40.790 42.059 0.211 0.000 0.896 156 L HN 0.502 nan 8.230 nan 0.000 0.432 157 F N 0.850 120.834 119.950 0.056 0.000 2.186 157 F HA -0.194 4.333 4.527 -0.001 0.000 0.299 157 F C 2.510 178.335 175.800 0.041 0.000 1.090 157 F CA 1.614 59.623 58.000 0.014 0.000 1.307 157 F CB -0.235 38.737 39.000 -0.047 0.000 1.019 157 F HN 0.210 nan 8.300 nan 0.000 0.489 158 E N 0.710 120.908 120.200 -0.003 0.000 2.106 158 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 158 E C 2.222 178.763 176.600 -0.099 0.000 0.984 158 E CA 1.305 57.645 56.400 -0.100 0.000 0.806 158 E CB -0.415 29.274 29.700 -0.018 0.000 0.750 158 E HN 0.169 nan 8.360 nan 0.000 0.458 159 K N 0.028 120.418 120.400 -0.016 0.000 2.026 159 K HA -0.097 4.222 4.320 -0.001 0.000 0.208 159 K C 2.171 178.778 176.600 0.012 0.000 1.048 159 K CA 1.524 57.786 56.287 -0.042 0.000 0.929 159 K CB -0.311 32.154 32.500 -0.057 0.000 0.713 159 K HN 0.281 nan 8.250 nan 0.000 0.439 160 M N 0.137 119.835 119.600 0.162 0.000 2.065 160 M HA -0.201 4.278 4.480 -0.001 0.000 0.259 160 M C 2.422 178.672 176.300 -0.082 0.000 1.069 160 M CA 1.645 57.048 55.300 0.172 0.000 1.110 160 M CB -0.370 32.299 32.600 0.115 0.000 1.328 160 M HN 0.086 nan 8.290 nan 0.000 0.405 161 R N 0.366 120.701 120.500 -0.276 0.000 2.105 161 R HA -0.119 4.221 4.340 -0.001 0.000 0.239 161 R C 1.547 177.697 176.300 -0.250 0.000 1.135 161 R CA 1.659 57.547 56.100 -0.353 0.000 0.967 161 R CB -0.216 29.777 30.300 -0.510 0.000 0.861 161 R HN 0.388 nan 8.270 nan 0.000 0.442 162 A N -0.346 122.368 122.820 -0.177 0.000 2.276 162 A HA 0.224 4.543 4.320 -0.001 0.000 0.212 162 A C 1.081 178.641 177.584 -0.040 0.000 1.230 162 A CA 0.687 52.646 52.037 -0.130 0.000 0.844 162 A CB -0.225 18.703 19.000 -0.120 0.000 0.860 162 A HN 0.527 nan 8.150 nan 0.000 0.486 163 G N -1.777 107.033 108.800 0.017 0.000 2.160 163 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.251 163 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.251 163 G C 1.050 176.081 174.900 0.218 0.000 1.008 163 G CA 0.472 45.718 45.100 0.243 0.000 0.724 163 G HN 1.287 nan 8.290 nan 0.000 0.514 164 G N -1.136 107.693 108.800 0.048 0.000 2.813 164 G HA2 0.390 4.349 3.960 -0.001 0.000 0.209 164 G HA3 0.390 4.349 3.960 -0.001 0.000 0.209 164 G C 0.288 175.071 174.900 -0.195 0.000 1.150 164 G CA 0.231 45.264 45.100 -0.111 0.000 0.785 164 G HN 0.401 nan 8.290 nan 0.000 0.535 165 F N 0.352 120.377 119.950 0.125 0.000 2.508 165 F HA 0.442 4.968 4.527 -0.001 0.000 0.325 165 F C 0.393 176.333 175.800 0.234 0.000 1.090 165 F CA -1.382 56.687 58.000 0.116 0.000 0.945 165 F CB 1.742 40.776 39.000 0.055 0.000 1.156 165 F HN -0.046 nan 8.300 nan 0.000 0.463 166 E N 1.188 121.637 120.200 0.415 0.000 2.392 166 E HA 0.112 4.462 4.350 -0.001 0.000 0.259 166 E C -0.498 176.306 176.600 0.340 0.000 1.108 166 E CA -0.477 56.134 56.400 0.352 0.000 0.916 166 E CB 0.535 30.355 29.700 0.199 0.000 0.989 166 E HN 0.521 nan 8.360 nan 0.000 0.432 167 E N 0.089 120.502 120.200 0.355 0.000 2.442 167 E HA 0.010 4.359 4.350 -0.001 0.000 0.262 167 E C 0.845 177.519 176.600 0.123 0.000 1.004 167 E CA 0.679 57.212 56.400 0.222 0.000 0.928 167 E CB 0.339 30.178 29.700 0.233 0.000 0.937 167 E HN 0.833 nan 8.360 nan 0.000 0.446 168 G N 2.931 111.768 108.800 0.063 0.000 2.220 168 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.269 168 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.269 168 G C 1.116 176.000 174.900 -0.026 0.000 0.977 168 G CA 0.850 45.961 45.100 0.018 0.000 0.634 168 G HN 0.466 nan 8.290 nan 0.000 0.539 169 K N 0.514 120.905 120.400 -0.015 0.000 2.288 169 K HA 0.577 4.896 4.320 -0.001 0.000 0.201 169 K C 1.115 177.510 176.600 -0.341 0.000 1.048 169 K CA 1.478 57.718 56.287 -0.078 0.000 0.956 169 K CB 0.055 32.615 32.500 0.101 0.000 0.746 169 K HN 1.403 nan 8.250 nan 0.000 0.461 170 A N -1.259 121.320 122.820 -0.402 0.000 2.597 170 A HA 0.577 4.896 4.320 -0.001 0.000 0.292 170 A C -1.291 176.115 177.584 -0.297 0.000 1.057 170 A CA -0.633 51.083 52.037 -0.536 0.000 0.674 170 A CB 0.500 18.802 19.000 -1.164 0.000 1.278 170 A HN 0.257 nan 8.150 nan 0.000 0.416 171 C N -0.286 118.868 119.300 -0.242 0.000 3.288 171 C HA 0.842 5.302 4.460 -0.001 0.000 0.318 171 C C -1.275 173.611 174.990 -0.172 0.000 1.356 171 C CA -0.824 58.116 59.018 -0.130 0.000 1.359 171 C CB 0.520 28.196 27.740 -0.106 0.000 1.688 171 C HN 1.518 nan 8.230 nan 0.000 0.467 172 L N 2.283 123.433 121.223 -0.122 0.000 2.275 172 L HA 0.696 5.036 4.340 -0.001 0.000 0.288 172 L C 0.115 176.772 176.870 -0.356 0.000 1.046 172 L CA 0.114 54.786 54.840 -0.279 0.000 0.805 172 L CB 0.478 42.329 42.059 -0.347 0.000 1.193 172 L HN 0.781 nan 8.230 nan 0.000 0.426 173 R N 3.620 123.782 120.500 -0.564 0.000 2.778 173 R HA 0.764 5.103 4.340 -0.001 0.000 0.277 173 R C -0.813 175.218 176.300 -0.449 0.000 0.977 173 R CA -0.937 54.850 56.100 -0.521 0.000 0.950 173 R CB 1.825 31.743 30.300 -0.636 0.000 1.165 173 R HN 0.752 nan 8.270 nan 0.000 0.474 174 A N 1.688 124.346 122.820 -0.270 0.000 2.340 174 A HA 0.225 4.544 4.320 -0.001 0.000 0.268 174 A C -0.171 177.391 177.584 -0.037 0.000 1.100 174 A CA -0.285 51.655 52.037 -0.162 0.000 0.803 174 A CB 0.428 19.233 19.000 -0.324 0.000 1.043 174 A HN 0.619 nan 8.150 nan 0.000 0.488 175 K N 3.102 123.565 120.400 0.104 0.000 2.296 175 K HA 0.496 4.815 4.320 -0.001 0.000 0.257 175 K C -0.325 176.277 176.600 0.003 0.000 1.088 175 K CA -0.199 56.183 56.287 0.159 0.000 0.980 175 K CB -0.092 32.538 32.500 0.216 0.000 1.430 175 K HN 0.741 nan 8.250 nan 0.000 0.441 176 I N 0.434 120.917 120.570 -0.145 0.000 5.247 176 I HA 0.260 4.429 4.170 -0.001 0.000 0.240 176 I C -0.272 175.793 176.117 -0.085 0.000 0.809 176 I CA -0.548 60.611 61.300 -0.234 0.000 2.363 176 I CB 0.320 37.972 38.000 -0.579 0.000 1.461 176 I HN 0.401 nan 8.210 nan 0.000 0.496 177 D N 0.475 120.821 120.400 -0.090 0.000 2.386 177 D HA 0.267 4.907 4.640 -0.001 0.000 0.247 177 D C 0.405 176.697 176.300 -0.014 0.000 1.336 177 D CA -0.328 53.657 54.000 -0.026 0.000 0.976 177 D CB 1.195 41.994 40.800 -0.002 0.000 1.257 177 D HN 0.123 nan 8.370 nan 0.000 0.570 178 M N 1.853 121.454 119.600 0.000 0.000 2.632 178 M HA 0.071 4.551 4.480 -0.001 0.000 0.256 178 M C 1.109 177.416 176.300 0.012 0.000 1.080 178 M CA 0.566 55.876 55.300 0.015 0.000 1.084 178 M CB -0.687 31.934 32.600 0.034 0.000 1.439 178 M HN 0.496 nan 8.290 nan 0.000 0.509 179 A N -0.972 121.853 122.820 0.007 0.000 2.594 179 A HA 0.239 4.558 4.320 -0.001 0.000 0.287 179 A C 0.815 178.404 177.584 0.008 0.000 1.227 179 A CA -0.238 51.801 52.037 0.003 0.000 0.952 179 A CB 0.024 19.023 19.000 -0.001 0.000 1.161 179 A HN 0.254 nan 8.150 nan 0.000 0.524 180 S N 1.312 117.025 115.700 0.022 0.000 2.564 180 S HA 0.304 4.774 4.470 -0.001 0.000 0.278 180 S C -0.945 173.667 174.600 0.020 0.000 1.333 180 S CA -0.906 57.324 58.200 0.050 0.000 1.048 180 S CB 0.791 64.048 63.200 0.095 0.000 0.900 180 S HN 0.327 nan 8.310 nan 0.000 0.505 181 P HA 0.034 nan 4.420 nan 0.000 0.229 181 P C -0.151 177.024 177.300 -0.209 0.000 1.160 181 P CA 0.495 63.507 63.100 -0.147 0.000 0.777 181 P CB -0.046 31.514 31.700 -0.233 0.000 0.814 182 F N 0.550 120.492 119.950 -0.014 0.000 2.405 182 F HA 0.213 4.739 4.527 -0.001 0.000 0.358 182 F C 2.003 177.790 175.800 -0.022 0.000 1.151 182 F CA -0.384 57.608 58.000 -0.014 0.000 1.161 182 F CB -0.020 38.975 39.000 -0.009 0.000 1.245 182 F HN -0.247 nan 8.300 nan 0.000 0.545 183 I N 2.297 122.938 120.570 0.119 0.000 2.454 183 I HA -0.236 3.933 4.170 -0.001 0.000 0.254 183 I C 2.219 178.378 176.117 0.070 0.000 1.156 183 I CA 0.833 62.173 61.300 0.067 0.000 1.433 183 I CB -0.145 37.875 38.000 0.033 0.000 1.082 183 I HN 0.451 nan 8.210 nan 0.000 0.432 184 V N 0.860 120.839 119.914 0.108 0.000 2.626 184 V HA -0.195 3.924 4.120 -0.001 0.000 0.252 184 V C 2.077 178.171 176.094 0.000 0.000 1.067 184 V CA 1.374 63.712 62.300 0.064 0.000 1.081 184 V CB -0.110 31.767 31.823 0.090 0.000 0.686 184 V HN 0.334 nan 8.190 nan 0.000 0.468 185 M N -0.242 119.366 119.600 0.013 0.000 2.561 185 M HA 0.197 4.676 4.480 -0.001 0.000 0.238 185 M C 0.806 177.045 176.300 -0.103 0.000 1.131 185 M CA 0.502 55.746 55.300 -0.093 0.000 1.046 185 M CB -0.529 32.041 32.600 -0.050 0.000 1.532 185 M HN 0.216 nan 8.290 nan 0.000 0.497 186 R N 1.969 122.445 120.500 -0.040 0.000 3.701 186 R HA 0.127 4.466 4.340 -0.001 0.000 0.210 186 R C -0.719 175.559 176.300 -0.037 0.000 1.598 186 R CA -0.186 55.899 56.100 -0.026 0.000 1.427 186 R CB -0.707 29.600 30.300 0.011 0.000 1.339 186 R HN 0.153 nan 8.270 nan 0.000 0.720 187 D N 1.482 121.829 120.400 -0.088 0.000 2.746 187 D HA -0.101 4.539 4.640 -0.001 0.000 0.241 187 D C -2.319 173.914 176.300 -0.112 0.000 1.140 187 D CA 0.526 54.479 54.000 -0.078 0.000 0.707 187 D CB -0.372 40.463 40.800 0.060 0.000 1.034 187 D HN 0.358 nan 8.370 nan 0.000 0.423 188 P HA -0.004 nan 4.420 nan 0.000 0.266 188 P C 0.233 177.443 177.300 -0.149 0.000 1.195 188 P CA -0.315 62.712 63.100 -0.122 0.000 0.768 188 P CB 0.847 32.481 31.700 -0.111 0.000 0.838 189 V N 4.643 124.487 119.914 -0.116 0.000 2.585 189 V HA -0.095 4.024 4.120 -0.001 0.000 0.296 189 V C 1.764 177.762 176.094 -0.159 0.000 1.035 189 V CA 0.438 62.654 62.300 -0.140 0.000 1.084 189 V CB 0.226 31.998 31.823 -0.084 0.000 0.953 189 V HN 0.468 nan 8.190 nan 0.000 0.483 190 L N 5.006 126.082 121.223 -0.245 0.000 2.316 190 L HA 0.352 4.691 4.340 -0.001 0.000 0.207 190 L C 0.057 176.688 176.870 -0.399 0.000 1.070 190 L CA 0.990 55.589 54.840 -0.402 0.000 0.820 190 L CB -0.306 41.353 42.059 -0.668 0.000 0.992 190 L HN 0.583 nan 8.230 nan 0.000 0.466 191 Y N -0.841 119.367 120.300 -0.154 0.000 2.492 191 Y HA 0.562 5.112 4.550 -0.001 0.000 0.346 191 Y C -0.359 175.533 175.900 -0.012 0.000 0.997 191 Y CA -1.228 56.858 58.100 -0.023 0.000 1.025 191 Y CB 1.617 40.141 38.460 0.107 0.000 1.263 191 Y HN -0.040 nan 8.280 nan 0.000 0.454 192 R N 1.315 121.937 120.500 0.202 0.000 2.808 192 R HA 0.695 5.034 4.340 -0.001 0.000 0.272 192 R C -1.908 174.467 176.300 0.124 0.000 0.995 192 R CA -0.890 55.280 56.100 0.116 0.000 0.917 192 R CB 1.004 31.347 30.300 0.071 0.000 1.217 192 R HN 0.533 nan 8.270 nan 0.000 0.471 193 I N 1.562 122.161 120.570 0.048 0.000 2.352 193 I HA 0.334 4.504 4.170 -0.001 0.000 0.290 193 I C -0.231 175.877 176.117 -0.014 0.000 1.036 193 I CA -0.259 61.015 61.300 -0.043 0.000 1.336 193 I CB 0.884 38.834 38.000 -0.084 0.000 1.407 193 I HN 0.405 nan 8.210 nan 0.000 0.497 194 K N 6.698 127.088 120.400 -0.016 0.000 2.668 194 K HA 0.330 4.650 4.320 -0.001 0.000 0.246 194 K C -1.195 175.460 176.600 0.093 0.000 0.976 194 K CA -0.521 55.827 56.287 0.101 0.000 0.902 194 K CB 1.529 34.134 32.500 0.176 0.000 1.172 194 K HN 0.339 nan 8.250 nan 0.000 0.452 195 F N 2.409 122.478 119.950 0.198 0.000 2.659 195 F HA 0.244 4.771 4.527 -0.001 0.000 0.360 195 F C 0.620 176.519 175.800 0.164 0.000 1.218 195 F CA -0.307 57.796 58.000 0.172 0.000 1.317 195 F CB 0.439 39.505 39.000 0.109 0.000 1.697 195 F HN 0.392 nan 8.300 nan 0.000 0.637 196 A N 1.209 124.220 122.820 0.318 0.000 2.393 196 A HA 0.463 4.782 4.320 -0.001 0.000 0.306 196 A C -0.453 177.286 177.584 0.258 0.000 1.050 196 A CA -0.795 51.375 52.037 0.221 0.000 0.724 196 A CB 0.904 19.973 19.000 0.114 0.000 1.248 196 A HN 0.413 nan 8.150 nan 0.000 0.424 197 E N 1.898 122.220 120.200 0.203 0.000 2.324 197 E HA 0.078 4.427 4.350 -0.001 0.000 0.271 197 E C -0.624 176.102 176.600 0.210 0.000 1.028 197 E CA -0.224 56.304 56.400 0.214 0.000 0.890 197 E CB 0.354 30.140 29.700 0.144 0.000 1.004 197 E HN 0.722 nan 8.360 nan 0.000 0.431 198 H N 3.452 122.627 119.070 0.174 0.000 2.502 198 H HA 0.027 4.582 4.556 -0.001 0.000 0.327 198 H C 0.603 175.932 175.328 0.002 0.000 1.099 198 H CA -0.148 55.955 56.048 0.091 0.000 1.323 198 H CB 0.845 30.739 29.762 0.220 0.000 1.450 198 H HN 0.771 nan 8.280 nan 0.000 0.502 199 H N 1.710 120.611 119.070 -0.283 0.000 2.568 199 H HA -0.036 4.519 4.556 -0.001 0.000 0.281 199 H C 0.600 175.890 175.328 -0.063 0.000 1.028 199 H CA 0.930 56.880 56.048 -0.164 0.000 1.199 199 H CB 0.407 30.030 29.762 -0.231 0.000 1.352 199 H HN 0.481 nan 8.280 nan 0.000 0.605 200 Q N -0.107 119.637 119.800 -0.092 0.000 2.459 200 Q HA 0.066 4.405 4.340 -0.001 0.000 0.260 200 Q C 1.505 177.508 176.000 0.005 0.000 0.828 200 Q CA 1.368 57.117 55.803 -0.090 0.000 0.987 200 Q CB 0.666 29.231 28.738 -0.288 0.000 1.216 200 Q HN 0.669 nan 8.270 nan 0.000 0.558 201 T N -2.066 112.592 114.554 0.173 0.000 3.092 201 T HA 0.420 4.770 4.350 -0.001 0.000 0.258 201 T C 1.155 175.975 174.700 0.199 0.000 1.031 201 T CA 0.645 62.834 62.100 0.150 0.000 0.925 201 T CB 0.475 69.481 68.868 0.230 0.000 1.036 201 T HN 0.365 nan 8.240 nan 0.000 0.544 202 G N 2.973 111.887 108.800 0.190 0.000 2.634 202 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.309 202 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.309 202 G C 0.415 175.440 174.900 0.208 0.000 1.265 202 G CA 0.386 45.581 45.100 0.158 0.000 0.998 202 G HN 0.523 nan 8.290 nan 0.000 0.551 203 N N 1.111 119.896 118.700 0.141 0.000 2.320 203 N HA 0.101 4.841 4.740 -0.001 0.000 0.237 203 N C 1.606 177.158 175.510 0.070 0.000 1.129 203 N CA 0.580 53.716 53.050 0.142 0.000 0.854 203 N CB 0.882 39.434 38.487 0.108 0.000 1.083 203 N HN 0.679 nan 8.380 nan 0.000 0.504 204 K N -0.270 120.157 120.400 0.046 0.000 2.211 204 K HA -0.063 4.257 4.320 -0.001 0.000 0.203 204 K C -0.471 175.904 176.600 -0.374 0.000 1.050 204 K CA 0.847 57.033 56.287 -0.167 0.000 0.945 204 K CB 0.279 32.678 32.500 -0.169 0.000 0.732 204 K HN 0.052 nan 8.250 nan 0.000 0.451 205 W N -0.636 120.589 121.300 -0.125 0.000 2.819 205 W HA 0.235 4.895 4.660 -0.001 0.000 0.337 205 W C 0.539 176.826 176.519 -0.388 0.000 1.077 205 W CA -1.223 55.911 57.345 -0.352 0.000 1.226 205 W CB 1.362 30.446 29.460 -0.626 0.000 1.419 205 W HN 0.054 nan 8.180 nan 0.000 0.502 206 C N 0.814 120.004 119.300 -0.182 0.000 3.183 206 C HA 0.545 5.004 4.460 -0.001 0.000 0.285 206 C C 0.511 175.302 174.990 -0.332 0.000 1.313 206 C CA -0.359 58.503 59.018 -0.260 0.000 1.711 206 C CB -1.633 25.857 27.740 -0.417 0.000 2.135 206 C HN 0.448 nan 8.230 nan 0.000 0.651 207 I N -1.467 118.877 120.570 -0.377 0.000 2.509 207 I HA 0.792 4.962 4.170 -0.001 0.000 0.293 207 I C -1.494 174.349 176.117 -0.458 0.000 1.020 207 I CA -0.866 60.304 61.300 -0.217 0.000 1.088 207 I CB 1.286 39.210 38.000 -0.127 0.000 1.267 207 I HN 0.030 nan 8.210 nan 0.000 0.430 208 Y N 4.853 125.198 120.300 0.076 0.000 2.462 208 Y HA 0.621 5.171 4.550 -0.001 0.000 0.346 208 Y C -2.514 173.253 175.900 -0.221 0.000 0.976 208 Y CA -2.375 55.628 58.100 -0.162 0.000 1.044 208 Y CB 2.261 40.645 38.460 -0.127 0.000 1.230 208 Y HN 0.444 nan 8.280 nan 0.000 0.455 209 P HA 0.181 nan 4.420 nan 0.000 0.277 209 P C -0.607 176.600 177.300 -0.155 0.000 1.240 209 P CA -0.279 62.462 63.100 -0.598 0.000 0.798 209 P CB 1.042 32.473 31.700 -0.447 0.000 0.979 210 M N 1.779 121.310 119.600 -0.116 0.000 2.227 210 M HA 0.083 4.563 4.480 -0.001 0.000 0.316 210 M C 1.633 177.992 176.300 0.098 0.000 1.144 210 M CA -0.408 54.911 55.300 0.032 0.000 1.121 210 M CB -0.284 32.329 32.600 0.023 0.000 1.440 210 M HN 0.475 nan 8.290 nan 0.000 0.473 211 Y N 1.952 122.294 120.300 0.069 0.000 2.081 211 Y HA -0.293 4.257 4.550 -0.001 0.000 0.280 211 Y C 1.656 177.607 175.900 0.086 0.000 1.163 211 Y CA 2.369 60.523 58.100 0.090 0.000 1.135 211 Y CB -0.200 38.325 38.460 0.109 0.000 0.970 211 Y HN 0.682 nan 8.280 nan 0.000 0.498 212 D N -0.589 119.725 120.400 -0.144 0.000 2.182 212 D HA -0.208 4.432 4.640 -0.001 0.000 0.201 212 D C 1.920 178.130 176.300 -0.150 0.000 0.986 212 D CA 1.615 55.488 54.000 -0.212 0.000 0.847 212 D CB -0.424 40.414 40.800 0.063 0.000 0.942 212 D HN 0.435 nan 8.370 nan 0.000 0.467 213 F N 1.660 121.474 119.950 -0.226 0.000 2.187 213 F HA -0.079 4.448 4.527 -0.001 0.000 0.295 213 F C 2.362 178.006 175.800 -0.259 0.000 1.091 213 F CA 1.033 58.905 58.000 -0.214 0.000 1.308 213 F CB -0.448 38.433 39.000 -0.198 0.000 1.030 213 F HN -0.210 nan 8.300 nan 0.000 0.487 214 T N -1.190 113.192 114.554 -0.286 0.000 2.701 214 T HA -0.212 4.138 4.350 -0.001 0.000 0.263 214 T C 1.712 176.183 174.700 -0.381 0.000 1.040 214 T CA 1.945 63.855 62.100 -0.317 0.000 1.147 214 T CB -0.673 68.144 68.868 -0.086 0.000 0.865 214 T HN 0.390 nan 8.240 nan 0.000 0.426 215 H N 0.421 119.197 119.070 -0.491 0.000 2.319 215 H HA -0.141 4.414 4.556 -0.001 0.000 0.297 215 H C 2.599 177.593 175.328 -0.555 0.000 1.097 215 H CA 2.173 57.930 56.048 -0.485 0.000 1.285 215 H CB -0.449 28.928 29.762 -0.640 0.000 1.368 215 H HN 0.603 nan 8.280 nan 0.000 0.495 216 C N -0.511 118.364 119.300 -0.709 0.000 2.440 216 C HA -0.016 4.443 4.460 -0.001 0.000 0.278 216 C C 2.627 177.136 174.990 -0.802 0.000 1.295 216 C CA 0.495 58.804 59.018 -1.182 0.000 1.738 216 C CB -1.204 25.582 27.740 -1.591 0.000 1.987 216 C HN 0.547 nan 8.230 nan 0.000 0.492 217 I N 1.985 122.125 120.570 -0.716 0.000 2.286 217 I HA -0.136 4.033 4.170 -0.001 0.000 0.245 217 I C 2.835 178.582 176.117 -0.617 0.000 1.104 217 I CA 1.672 62.571 61.300 -0.669 0.000 1.397 217 I CB -0.495 37.067 38.000 -0.729 0.000 1.072 217 I HN 0.303 nan 8.210 nan 0.000 0.417 218 S N 0.420 115.759 115.700 -0.602 0.000 2.368 218 S HA -0.192 4.278 4.470 -0.001 0.000 0.225 218 S C 1.613 175.876 174.600 -0.562 0.000 1.030 218 S CA 1.384 59.183 58.200 -0.668 0.000 0.999 218 S CB -0.299 62.673 63.200 -0.381 0.000 0.844 218 S HN 0.414 nan 8.310 nan 0.000 0.459 219 D N 1.631 121.739 120.400 -0.487 0.000 2.097 219 D HA -0.023 4.616 4.640 -0.001 0.000 0.195 219 D C 2.164 178.272 176.300 -0.321 0.000 0.989 219 D CA 1.364 55.160 54.000 -0.341 0.000 0.827 219 D CB -0.474 40.213 40.800 -0.188 0.000 0.966 219 D HN 0.369 nan 8.370 nan 0.000 0.456 220 A N 0.457 123.059 122.820 -0.363 0.000 1.898 220 A HA -0.094 4.225 4.320 -0.001 0.000 0.216 220 A C 2.421 179.833 177.584 -0.288 0.000 1.181 220 A CA 0.825 52.681 52.037 -0.302 0.000 0.620 220 A CB -0.726 18.070 19.000 -0.341 0.000 0.819 220 A HN 0.217 nan 8.150 nan 0.000 0.442 221 L N -0.687 120.311 121.223 -0.375 0.000 2.083 221 L HA -0.179 4.161 4.340 -0.001 0.000 0.209 221 L C 2.283 178.990 176.870 -0.271 0.000 1.083 221 L CA 1.506 56.143 54.840 -0.337 0.000 0.752 221 L CB -0.515 41.218 42.059 -0.544 0.000 0.899 221 L HN 0.472 nan 8.230 nan 0.000 0.433 222 E N -0.223 119.786 120.200 -0.319 0.000 2.481 222 E HA 0.010 4.360 4.350 -0.001 0.000 0.195 222 E C 1.165 177.551 176.600 -0.358 0.000 1.047 222 E CA 0.456 56.696 56.400 -0.265 0.000 0.867 222 E CB 0.122 29.668 29.700 -0.257 0.000 0.858 222 E HN 0.552 nan 8.360 nan 0.000 0.513 223 G N 1.936 110.561 108.800 -0.293 0.000 2.198 223 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.257 223 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.257 223 G C 0.199 174.911 174.900 -0.313 0.000 1.042 223 G CA -0.277 44.673 45.100 -0.251 0.000 0.791 223 G HN 0.139 nan 8.290 nan 0.000 0.502 224 I N 1.487 121.869 120.570 -0.313 0.000 2.648 224 I HA 0.116 4.285 4.170 -0.001 0.000 0.284 224 I C 2.011 178.049 176.117 -0.132 0.000 1.153 224 I CA 1.269 62.443 61.300 -0.210 0.000 1.426 224 I CB 0.590 38.504 38.000 -0.144 0.000 1.381 224 I HN 0.396 nan 8.210 nan 0.000 0.571 225 T N 2.866 117.335 114.554 -0.142 0.000 3.010 225 T HA 0.077 4.426 4.350 -0.001 0.000 0.252 225 T C 0.659 175.018 174.700 -0.568 0.000 1.047 225 T CA 0.536 62.383 62.100 -0.422 0.000 1.140 225 T CB 0.112 68.572 68.868 -0.681 0.000 0.885 225 T HN 0.565 nan 8.240 nan 0.000 0.464 226 H N 1.211 120.237 119.070 -0.073 0.000 2.991 226 H HA 0.500 5.055 4.556 -0.001 0.000 0.304 226 H C -1.039 174.326 175.328 0.061 0.000 1.040 226 H CA -0.621 55.462 56.048 0.058 0.000 1.410 226 H CB 1.486 31.250 29.762 0.004 0.000 1.529 226 H HN 0.215 nan 8.280 nan 0.000 0.509 227 S N 4.916 120.686 115.700 0.117 0.000 2.405 227 S HA 0.244 4.713 4.470 -0.001 0.000 0.291 227 S C 0.158 174.835 174.600 0.129 0.000 1.137 227 S CA -0.728 57.529 58.200 0.095 0.000 1.061 227 S CB -0.464 62.766 63.200 0.050 0.000 1.001 227 S HN 0.417 nan 8.310 nan 0.000 0.507 228 L N 6.474 127.803 121.223 0.177 0.000 2.264 228 L HA 0.574 4.913 4.340 -0.001 0.000 0.289 228 L C 0.368 177.441 176.870 0.338 0.000 1.044 228 L CA -0.853 54.155 54.840 0.280 0.000 0.807 228 L CB 0.502 42.700 42.059 0.232 0.000 1.192 228 L HN 0.815 nan 8.230 nan 0.000 0.425 229 C N -0.086 119.373 119.300 0.264 0.000 3.336 229 C HA 0.866 5.326 4.460 -0.001 0.000 0.352 229 C C 0.611 175.384 174.990 -0.362 0.000 1.567 229 C CA -0.642 58.399 59.018 0.039 0.000 1.328 229 C CB 1.528 29.214 27.740 -0.090 0.000 1.922 229 C HN 0.804 nan 8.230 nan 0.000 0.439 230 T N -0.501 113.854 114.554 -0.331 0.000 2.881 230 T HA 0.439 4.788 4.350 -0.001 0.000 0.278 230 T C 0.876 175.493 174.700 -0.139 0.000 0.982 230 T CA -0.497 61.306 62.100 -0.495 0.000 0.989 230 T CB 0.541 69.194 68.868 -0.360 0.000 1.058 230 T HN 0.618 nan 8.240 nan 0.000 0.529 231 L N 0.985 122.111 121.223 -0.162 0.000 2.197 231 L HA -0.109 4.231 4.340 -0.001 0.000 0.215 231 L C 2.335 179.156 176.870 -0.083 0.000 1.095 231 L CA 1.737 56.531 54.840 -0.075 0.000 0.764 231 L CB -1.453 40.564 42.059 -0.070 0.000 0.897 231 L HN 0.787 nan 8.230 nan 0.000 0.436 232 E N -2.148 117.942 120.200 -0.182 0.000 2.478 232 E HA -0.117 4.233 4.350 -0.001 0.000 0.198 232 E C 1.205 177.560 176.600 -0.408 0.000 1.046 232 E CA 0.622 56.825 56.400 -0.327 0.000 0.870 232 E CB -0.351 29.053 29.700 -0.493 0.000 0.818 232 E HN 0.407 nan 8.360 nan 0.000 0.527 233 F N 0.842 120.756 119.950 -0.060 0.000 2.639 233 F HA 0.242 4.768 4.527 -0.001 0.000 0.300 233 F C 1.682 177.478 175.800 -0.007 0.000 1.109 233 F CA -0.246 57.742 58.000 -0.020 0.000 1.335 233 F CB 0.155 39.145 39.000 -0.017 0.000 1.014 233 F HN -0.060 nan 8.300 nan 0.000 0.537 234 Q N 0.446 120.310 119.800 0.107 0.000 2.050 234 Q HA -0.187 4.153 4.340 -0.001 0.000 0.202 234 Q C 1.446 177.503 176.000 0.094 0.000 0.980 234 Q CA 1.689 57.541 55.803 0.082 0.000 0.840 234 Q CB -0.117 28.658 28.738 0.062 0.000 0.898 234 Q HN 0.379 nan 8.270 nan 0.000 0.424 235 D N 0.474 120.947 120.400 0.122 0.000 2.144 235 D HA -0.127 4.513 4.640 -0.001 0.000 0.199 235 D C 1.419 177.767 176.300 0.080 0.000 0.984 235 D CA 0.860 54.970 54.000 0.183 0.000 0.834 235 D CB -0.339 40.594 40.800 0.221 0.000 0.955 235 D HN 0.324 nan 8.370 nan 0.000 0.465 236 N N 0.949 119.731 118.700 0.136 0.000 2.364 236 N HA -0.143 4.596 4.740 -0.001 0.000 0.183 236 N C 1.859 177.450 175.510 0.134 0.000 1.022 236 N CA 0.150 53.310 53.050 0.183 0.000 0.883 236 N CB -0.012 38.712 38.487 0.394 0.000 0.965 236 N HN 0.196 nan 8.380 nan 0.000 0.438 237 R N 1.454 121.990 120.500 0.060 0.000 2.193 237 R HA -0.061 4.278 4.340 -0.001 0.000 0.229 237 R C 1.669 177.966 176.300 -0.003 0.000 1.110 237 R CA 1.034 57.125 56.100 -0.015 0.000 0.988 237 R CB 0.141 30.381 30.300 -0.100 0.000 0.871 237 R HN -0.005 nan 8.270 nan 0.000 0.458 238 R N -0.011 120.424 120.500 -0.108 0.000 2.090 238 R HA -0.055 4.285 4.340 -0.001 0.000 0.228 238 R C 1.907 178.206 176.300 -0.002 0.000 1.110 238 R CA 0.744 56.734 56.100 -0.184 0.000 0.973 238 R CB -0.524 29.410 30.300 -0.610 0.000 0.869 238 R HN 0.180 nan 8.270 nan 0.000 0.440 239 L N -0.818 120.427 121.223 0.038 0.000 2.209 239 L HA 0.002 4.341 4.340 -0.001 0.000 0.207 239 L C 1.768 178.745 176.870 0.180 0.000 1.094 239 L CA 1.442 56.349 54.840 0.112 0.000 0.790 239 L CB -0.702 41.394 42.059 0.060 0.000 0.932 239 L HN 0.163 nan 8.230 nan 0.000 0.447 240 Y N 0.715 121.017 120.300 0.003 0.000 2.097 240 Y HA -0.282 4.267 4.550 -0.001 0.000 0.282 240 Y C 2.226 178.084 175.900 -0.071 0.000 1.152 240 Y CA 2.296 60.360 58.100 -0.061 0.000 1.136 240 Y CB -0.285 38.131 38.460 -0.073 0.000 0.975 240 Y HN 0.308 nan 8.280 nan 0.000 0.498 241 D N -1.080 119.511 120.400 0.318 0.000 2.117 241 D HA -0.210 4.429 4.640 -0.001 0.000 0.198 241 D C 1.868 178.274 176.300 0.177 0.000 0.982 241 D CA 1.334 55.503 54.000 0.282 0.000 0.828 241 D CB -1.035 39.933 40.800 0.279 0.000 0.967 241 D HN 0.566 nan 8.370 nan 0.000 0.464 242 W N 1.899 123.207 121.300 0.014 0.000 2.317 242 W HA -0.273 4.386 4.660 -0.001 0.000 0.318 242 W C 2.211 178.708 176.519 -0.038 0.000 1.227 242 W CA 1.662 59.002 57.345 -0.008 0.000 1.269 242 W CB -0.511 28.939 29.460 -0.017 0.000 1.155 242 W HN -0.236 nan 8.180 nan 0.000 0.484 243 V N 1.306 121.334 119.914 0.189 0.000 2.252 243 V HA -0.376 3.744 4.120 -0.001 0.000 0.249 243 V C 2.366 178.278 176.094 -0.303 0.000 1.056 243 V CA 2.286 64.571 62.300 -0.024 0.000 1.022 243 V CB -1.238 30.622 31.823 0.062 0.000 0.641 243 V HN 0.292 nan 8.190 nan 0.000 0.445 244 L N -0.319 120.698 121.223 -0.344 0.000 2.083 244 L HA -0.163 4.176 4.340 -0.001 0.000 0.209 244 L C 2.204 178.908 176.870 -0.277 0.000 1.083 244 L CA 1.403 55.987 54.840 -0.426 0.000 0.752 244 L CB -0.722 40.925 42.059 -0.686 0.000 0.899 244 L HN 0.345 nan 8.230 nan 0.000 0.433 245 D N -0.214 120.070 120.400 -0.193 0.000 2.348 245 D HA -0.099 4.541 4.640 -0.001 0.000 0.216 245 D C 1.421 177.553 176.300 -0.280 0.000 0.970 245 D CA 0.792 54.705 54.000 -0.145 0.000 0.889 245 D CB -0.047 40.696 40.800 -0.096 0.000 0.912 245 D HN 0.325 nan 8.370 nan 0.000 0.524 246 N N 0.174 118.609 118.700 -0.441 0.000 2.187 246 N HA 0.128 4.867 4.740 -0.001 0.000 0.212 246 N C 0.516 175.848 175.510 -0.297 0.000 1.152 246 N CA 0.021 52.783 53.050 -0.479 0.000 0.872 246 N CB 1.588 39.510 38.487 -0.942 0.000 1.025 246 N HN 0.345 nan 8.380 nan 0.000 0.514 247 I N -2.728 117.698 120.570 -0.239 0.000 3.108 247 I HA 0.448 4.618 4.170 -0.001 0.000 0.312 247 I C -0.388 175.691 176.117 -0.062 0.000 1.095 247 I CA -0.751 60.478 61.300 -0.119 0.000 1.000 247 I CB 1.772 39.619 38.000 -0.255 0.000 1.229 247 I HN -0.365 nan 8.210 nan 0.000 0.454 248 T N 4.399 119.014 114.554 0.102 0.000 2.997 248 T HA 0.526 4.876 4.350 -0.001 0.000 0.311 248 T C -0.421 174.359 174.700 0.132 0.000 1.079 248 T CA 0.190 62.345 62.100 0.092 0.000 0.982 248 T CB -0.678 68.246 68.868 0.092 0.000 1.032 248 T HN 0.432 nan 8.240 nan 0.000 0.581 249 I N 4.883 125.450 120.570 -0.005 0.000 2.569 249 I HA 0.373 4.543 4.170 -0.001 0.000 0.290 249 I C -1.559 174.530 176.117 -0.047 0.000 1.088 249 I CA -2.391 58.885 61.300 -0.040 0.000 1.047 249 I CB 2.877 40.743 38.000 -0.224 0.000 1.237 249 I HN 0.248 nan 8.210 nan 0.000 0.421 250 P HA 0.002 nan 4.420 nan 0.000 0.229 250 P C -0.001 177.287 177.300 -0.020 0.000 1.160 250 P CA 0.778 63.866 63.100 -0.021 0.000 0.777 250 P CB 0.087 31.779 31.700 -0.012 0.000 0.814 251 V N -2.883 117.008 119.914 -0.037 0.000 3.113 251 V HA 0.617 4.737 4.120 -0.001 0.000 0.316 251 V C -1.041 175.061 176.094 0.013 0.000 1.125 251 V CA -1.195 61.101 62.300 -0.008 0.000 1.026 251 V CB 2.067 33.876 31.823 -0.023 0.000 1.080 251 V HN 0.071 nan 8.190 nan 0.000 0.444 252 H N 1.108 120.149 119.070 -0.049 0.000 3.162 252 H HA 0.595 5.151 4.556 -0.001 0.000 0.309 252 H C -2.954 172.377 175.328 0.005 0.000 1.156 252 H CA -1.468 54.558 56.048 -0.035 0.000 1.586 252 H CB 1.817 31.558 29.762 -0.036 0.000 1.740 252 H HN 0.670 nan 8.280 nan 0.000 0.525 253 P HA 0.150 nan 4.420 nan 0.000 0.271 253 P C -0.646 176.751 177.300 0.162 0.000 1.218 253 P CA -0.506 62.667 63.100 0.122 0.000 0.780 253 P CB 0.736 32.483 31.700 0.079 0.000 0.901 254 R N 2.008 122.487 120.500 -0.036 0.000 2.338 254 R HA 0.308 4.648 4.340 -0.001 0.000 0.317 254 R C -0.095 175.902 176.300 -0.504 0.000 0.968 254 R CA -0.646 55.300 56.100 -0.258 0.000 0.849 254 R CB 1.242 31.402 30.300 -0.233 0.000 1.128 254 R HN 0.558 nan 8.270 nan 0.000 0.448 255 Q N 2.663 122.031 119.800 -0.720 0.000 2.267 255 Q HA 0.270 4.609 4.340 -0.001 0.000 0.255 255 Q C -1.292 174.303 176.000 -0.674 0.000 0.923 255 Q CA -0.206 55.229 55.803 -0.613 0.000 0.925 255 Q CB 0.704 29.011 28.738 -0.718 0.000 1.195 255 Q HN 0.437 nan 8.270 nan 0.000 0.417 256 Y N 1.909 122.222 120.300 0.022 0.000 2.406 256 Y HA 0.321 4.871 4.550 -0.000 0.000 0.340 256 Y C -0.887 175.132 175.900 0.197 0.000 0.975 256 Y CA -1.003 57.175 58.100 0.129 0.000 1.056 256 Y CB 2.012 40.541 38.460 0.116 0.000 1.210 256 Y HN 0.604 nan 8.280 nan 0.000 0.448 257 E N 3.604 124.029 120.200 0.375 0.000 2.179 257 E HA 0.563 4.913 4.350 -0.001 0.000 0.275 257 E C -1.208 175.669 176.600 0.462 0.000 0.945 257 E CA -0.669 55.894 56.400 0.272 0.000 0.792 257 E CB 1.384 31.155 29.700 0.118 0.000 1.125 257 E HN 0.395 nan 8.360 nan 0.000 0.397 258 F N -0.875 119.265 119.950 0.317 0.000 2.579 258 F HA 0.690 5.216 4.527 -0.000 0.000 0.324 258 F C 0.032 175.941 175.800 0.181 0.000 1.058 258 F CA -1.529 56.672 58.000 0.336 0.000 0.944 258 F CB 0.903 40.083 39.000 0.300 0.000 1.245 258 F HN 0.297 nan 8.300 nan 0.000 0.477 259 S N 1.294 117.121 115.700 0.213 0.000 2.576 259 S HA 0.434 4.903 4.470 -0.001 0.000 0.276 259 S C -0.068 174.598 174.600 0.111 0.000 1.339 259 S CA -1.066 57.175 58.200 0.069 0.000 1.039 259 S CB 0.565 63.809 63.200 0.073 0.000 0.902 259 S HN 0.933 nan 8.310 nan 0.000 0.516 260 R N 1.045 121.550 120.500 0.009 0.000 2.615 260 R HA 0.530 4.869 4.340 -0.001 0.000 0.270 260 R C -0.375 175.980 176.300 0.092 0.000 1.081 260 R CA -0.974 55.164 56.100 0.063 0.000 1.154 260 R CB 0.093 30.393 30.300 -0.000 0.000 1.063 260 R HN 0.560 nan 8.270 nan 0.000 0.519 261 L N 1.548 122.843 121.223 0.120 0.000 2.349 261 L HA 0.271 4.610 4.340 -0.001 0.000 0.275 261 L C -0.958 175.940 176.870 0.047 0.000 1.115 261 L CA 0.120 55.023 54.840 0.105 0.000 0.820 261 L CB 0.786 42.943 42.059 0.165 0.000 1.135 261 L HN 0.608 nan 8.230 nan 0.000 0.445 262 N N 5.721 124.447 118.700 0.043 0.000 2.346 262 N HA 0.415 5.154 4.740 -0.001 0.000 0.289 262 N C -1.498 174.038 175.510 0.043 0.000 1.027 262 N CA -0.383 52.668 53.050 0.001 0.000 0.864 262 N CB 2.378 40.852 38.487 -0.022 0.000 1.370 262 N HN 0.585 nan 8.380 nan 0.000 0.481 263 L N 1.221 122.462 121.223 0.029 0.000 2.322 263 L HA 0.348 4.687 4.340 -0.001 0.000 0.281 263 L C 0.590 177.487 176.870 0.044 0.000 1.014 263 L CA -0.639 54.245 54.840 0.073 0.000 0.815 263 L CB 1.683 43.783 42.059 0.068 0.000 1.247 263 L HN 0.396 nan 8.230 nan 0.000 0.421 264 E N 2.774 123.016 120.200 0.071 0.000 2.442 264 E HA -0.086 4.263 4.350 -0.001 0.000 0.262 264 E C -0.708 175.981 176.600 0.148 0.000 1.004 264 E CA 0.592 57.014 56.400 0.035 0.000 0.928 264 E CB 0.265 30.033 29.700 0.113 0.000 0.937 264 E HN 0.511 nan 8.360 nan 0.000 0.446 265 Y N -0.625 119.713 120.300 0.064 0.000 4.729 265 Y HA -0.300 4.250 4.550 -0.001 0.000 0.239 265 Y C 0.253 176.299 175.900 0.244 0.000 1.043 265 Y CA 1.243 59.423 58.100 0.134 0.000 2.045 265 Y CB -1.663 36.872 38.460 0.124 0.000 1.599 265 Y HN 0.501 nan 8.280 nan 0.000 0.655 266 T N -1.229 113.445 114.554 0.201 0.000 2.762 266 T HA 0.733 5.083 4.350 -0.001 0.000 0.301 266 T C -1.010 173.658 174.700 -0.054 0.000 1.299 266 T CA -0.179 62.064 62.100 0.239 0.000 1.005 266 T CB 1.193 70.187 68.868 0.210 0.000 1.377 266 T HN 0.485 nan 8.240 nan 0.000 0.504 267 V N 0.853 120.729 119.914 -0.063 0.000 2.732 267 V HA 0.888 5.007 4.120 -0.001 0.000 0.310 267 V C -0.276 175.705 176.094 -0.188 0.000 1.053 267 V CA -0.877 61.286 62.300 -0.229 0.000 0.957 267 V CB 1.553 33.148 31.823 -0.380 0.000 1.018 267 V HN 0.822 nan 8.190 nan 0.000 0.452 268 M N 4.156 123.592 119.600 -0.273 0.000 3.189 268 M HA 0.479 4.958 4.480 -0.001 0.000 0.365 268 M C -0.282 175.703 176.300 -0.526 0.000 1.447 268 M CA 0.047 55.064 55.300 -0.472 0.000 0.739 268 M CB 0.267 32.629 32.600 -0.398 0.000 1.411 268 M HN 1.080 nan 8.290 nan 0.000 0.494 269 S N -1.910 113.644 115.700 -0.243 0.000 2.548 269 S HA 0.506 4.976 4.470 -0.001 0.000 0.276 269 S C 0.512 175.202 174.600 0.149 0.000 1.129 269 S CA -0.959 57.232 58.200 -0.014 0.000 0.931 269 S CB 1.795 64.956 63.200 -0.065 0.000 1.068 269 S HN 0.395 nan 8.310 nan 0.000 0.480 270 K N 1.092 121.686 120.400 0.324 0.000 2.113 270 K HA -0.156 4.164 4.320 -0.001 0.000 0.208 270 K C 2.167 178.952 176.600 0.309 0.000 1.047 270 K CA 1.087 57.624 56.287 0.418 0.000 0.928 270 K CB -0.188 32.502 32.500 0.316 0.000 0.716 270 K HN 0.545 nan 8.250 nan 0.000 0.446 271 R N 2.054 122.649 120.500 0.159 0.000 2.081 271 R HA -0.121 4.219 4.340 -0.001 0.000 0.235 271 R C 1.654 177.990 176.300 0.061 0.000 1.131 271 R CA 1.677 57.840 56.100 0.105 0.000 0.960 271 R CB -0.029 30.302 30.300 0.052 0.000 0.856 271 R HN 0.166 nan 8.270 nan 0.000 0.436 272 K N 0.089 120.461 120.400 -0.046 0.000 2.228 272 K HA 0.021 4.340 4.320 -0.001 0.000 0.202 272 K C 2.160 178.756 176.600 -0.007 0.000 1.051 272 K CA 0.690 56.875 56.287 -0.171 0.000 0.960 272 K CB 0.057 32.154 32.500 -0.672 0.000 0.743 272 K HN 0.182 nan 8.250 nan 0.000 0.458 273 L N 1.012 122.217 121.223 -0.031 0.000 2.179 273 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 273 L C 2.220 178.767 176.870 -0.538 0.000 1.096 273 L CA 0.557 55.307 54.840 -0.151 0.000 0.779 273 L CB -0.359 41.715 42.059 0.025 0.000 0.922 273 L HN 0.193 nan 8.230 nan 0.000 0.443 274 N N 0.709 119.203 118.700 -0.343 0.000 2.142 274 N HA -0.170 4.570 4.740 -0.001 0.000 0.186 274 N C 1.816 177.231 175.510 -0.159 0.000 1.023 274 N CA 1.116 53.978 53.050 -0.312 0.000 0.852 274 N CB -0.060 38.535 38.487 0.181 0.000 0.998 274 N HN 0.138 nan 8.380 nan 0.000 0.424 275 L N 0.970 122.200 121.223 0.012 0.000 2.131 275 L HA 0.004 4.343 4.340 -0.001 0.000 0.210 275 L C 2.058 178.950 176.870 0.038 0.000 1.092 275 L CA 1.222 56.118 54.840 0.093 0.000 0.759 275 L CB -0.584 41.645 42.059 0.284 0.000 0.903 275 L HN 0.185 nan 8.230 nan 0.000 0.435 276 L N -2.273 118.974 121.223 0.041 0.000 2.109 276 L HA -0.151 4.189 4.340 -0.001 0.000 0.207 276 L C 2.309 179.081 176.870 -0.163 0.000 1.086 276 L CA 0.665 55.513 54.840 0.014 0.000 0.760 276 L CB -0.510 41.592 42.059 0.071 0.000 0.910 276 L HN 0.069 nan 8.230 nan 0.000 0.437 277 V N -0.987 118.738 119.914 -0.315 0.000 2.283 277 V HA -0.233 3.887 4.120 -0.001 0.000 0.243 277 V C 2.510 178.473 176.094 -0.220 0.000 1.039 277 V CA 2.246 64.327 62.300 -0.365 0.000 1.016 277 V CB -0.737 30.650 31.823 -0.727 0.000 0.650 277 V HN 0.423 nan 8.190 nan 0.000 0.449 278 T N -0.220 114.233 114.554 -0.168 0.000 2.746 278 T HA -0.179 4.171 4.350 -0.001 0.000 0.267 278 T C 1.409 176.027 174.700 -0.137 0.000 1.039 278 T CA 1.722 63.767 62.100 -0.091 0.000 1.142 278 T CB -0.337 68.515 68.868 -0.027 0.000 0.866 278 T HN 0.405 nan 8.240 nan 0.000 0.444 279 D N 0.518 120.789 120.400 -0.214 0.000 2.340 279 D HA 0.081 4.721 4.640 -0.001 0.000 0.220 279 D C 0.498 176.422 176.300 -0.626 0.000 1.039 279 D CA 0.186 53.954 54.000 -0.387 0.000 0.866 279 D CB 0.047 40.614 40.800 -0.388 0.000 0.913 279 D HN 0.065 nan 8.370 nan 0.000 0.523 280 K N -0.399 119.768 120.400 -0.388 0.000 3.096 280 K HA -0.221 4.099 4.320 -0.001 0.000 0.266 280 K C -0.091 176.346 176.600 -0.273 0.000 1.043 280 K CA 0.420 56.541 56.287 -0.277 0.000 0.758 280 K CB -2.730 29.660 32.500 -0.184 0.000 1.260 280 K HN 0.566 nan 8.250 nan 0.000 0.481 281 H N -1.685 117.344 119.070 -0.069 0.000 2.551 281 H HA 0.170 4.725 4.556 -0.001 0.000 0.271 281 H C 0.875 176.159 175.328 -0.073 0.000 0.984 281 H CA 0.315 56.320 56.048 -0.072 0.000 1.164 281 H CB 0.673 30.384 29.762 -0.085 0.000 1.437 281 H HN 0.233 nan 8.280 nan 0.000 0.550 282 V N -3.020 116.888 119.914 -0.009 0.000 3.078 282 V HA 0.209 4.329 4.120 -0.001 0.000 0.311 282 V C 0.614 176.683 176.094 -0.041 0.000 1.138 282 V CA -1.040 61.245 62.300 -0.025 0.000 1.007 282 V CB 2.507 34.294 31.823 -0.060 0.000 1.045 282 V HN 0.029 nan 8.190 nan 0.000 0.432 283 E N 1.328 121.522 120.200 -0.011 0.000 2.110 283 E HA 0.273 4.623 4.350 -0.001 0.000 0.193 283 E C 0.899 177.475 176.600 -0.039 0.000 0.988 283 E CA 1.647 58.046 56.400 -0.001 0.000 0.804 283 E CB 0.095 29.825 29.700 0.050 0.000 0.745 283 E HN 1.090 nan 8.360 nan 0.000 0.458 284 G N -1.663 107.091 108.800 -0.077 0.000 2.341 284 G HA2 0.049 4.009 3.960 -0.001 0.000 0.299 284 G HA3 0.049 4.009 3.960 -0.001 0.000 0.299 284 G C -1.060 173.745 174.900 -0.158 0.000 1.274 284 G CA -0.662 44.372 45.100 -0.109 0.000 0.853 284 G HN 0.117 nan 8.290 nan 0.000 0.493 285 W N 0.877 121.999 121.300 -0.296 0.000 2.374 285 W HA 0.064 4.723 4.660 -0.001 0.000 0.288 285 W C 2.111 178.474 176.519 -0.261 0.000 1.218 285 W CA 1.575 58.688 57.345 -0.386 0.000 1.245 285 W CB 0.256 29.112 29.460 -1.007 0.000 1.126 285 W HN 0.577 nan 8.180 nan 0.000 0.545 286 D N -0.567 119.819 120.400 -0.023 0.000 2.434 286 D HA -0.060 4.579 4.640 -0.001 0.000 0.232 286 D C -0.032 176.238 176.300 -0.050 0.000 1.166 286 D CA 0.110 54.103 54.000 -0.010 0.000 0.830 286 D CB -0.709 40.092 40.800 0.003 0.000 0.960 286 D HN 0.089 nan 8.370 nan 0.000 0.497 287 D N 1.627 121.995 120.400 -0.054 0.000 2.424 287 D HA 0.001 4.640 4.640 -0.001 0.000 0.244 287 D C -1.529 174.691 176.300 -0.132 0.000 1.134 287 D CA -1.503 52.459 54.000 -0.064 0.000 0.881 287 D CB 2.074 42.847 40.800 -0.045 0.000 1.191 287 D HN -0.085 nan 8.370 nan 0.000 0.445 288 P HA -0.062 nan 4.420 nan 0.000 0.223 288 P C 0.777 177.822 177.300 -0.425 0.000 1.144 288 P CA 1.001 63.829 63.100 -0.453 0.000 0.783 288 P CB 0.214 31.358 31.700 -0.927 0.000 0.771 289 R N -2.261 118.079 120.500 -0.267 0.000 2.246 289 R HA 0.173 4.512 4.340 -0.001 0.000 0.199 289 R C 0.846 177.098 176.300 -0.080 0.000 0.984 289 R CA 0.206 56.233 56.100 -0.122 0.000 1.015 289 R CB -0.226 30.065 30.300 -0.015 0.000 0.930 289 R HN 0.215 nan 8.270 nan 0.000 0.475 290 M N 2.631 122.186 119.600 -0.075 0.000 2.238 290 M HA 0.097 4.576 4.480 -0.001 0.000 0.347 290 M C -1.650 174.640 176.300 -0.017 0.000 1.173 290 M CA -1.974 53.314 55.300 -0.020 0.000 1.147 290 M CB 0.667 33.266 32.600 -0.002 0.000 1.547 290 M HN -0.157 nan 8.290 nan 0.000 0.455 291 P HA 0.040 nan 4.420 nan 0.000 0.255 291 P C -0.008 177.351 177.300 0.098 0.000 1.357 291 P CA 0.136 63.241 63.100 0.009 0.000 0.839 291 P CB -0.590 31.120 31.700 0.016 0.000 1.356 292 T N -2.368 112.274 114.554 0.146 0.000 2.828 292 T HA 0.186 4.535 4.350 -0.001 0.000 0.290 292 T C 1.587 176.376 174.700 0.148 0.000 1.019 292 T CA -0.688 61.558 62.100 0.244 0.000 1.031 292 T CB 0.754 69.811 68.868 0.315 0.000 1.001 292 T HN -0.253 nan 8.240 nan 0.000 0.531 293 I N 1.470 122.150 120.570 0.184 0.000 2.252 293 I HA -0.139 4.031 4.170 -0.001 0.000 0.245 293 I C 2.901 179.001 176.117 -0.029 0.000 1.102 293 I CA 1.615 62.997 61.300 0.137 0.000 1.385 293 I CB -1.981 36.152 38.000 0.221 0.000 1.064 293 I HN 0.898 nan 8.210 nan 0.000 0.414 294 S N 1.177 116.894 115.700 0.028 0.000 2.368 294 S HA -0.098 4.371 4.470 -0.001 0.000 0.225 294 S C 2.203 176.743 174.600 -0.099 0.000 1.030 294 S CA 1.158 59.326 58.200 -0.053 0.000 0.999 294 S CB -1.323 61.974 63.200 0.161 0.000 0.844 294 S HN 0.440 nan 8.310 nan 0.000 0.459 295 G N 1.655 110.438 108.800 -0.028 0.000 2.408 295 G HA2 0.043 4.002 3.960 -0.001 0.000 0.217 295 G HA3 0.043 4.002 3.960 -0.001 0.000 0.217 295 G C 1.455 176.283 174.900 -0.120 0.000 1.150 295 G CA 0.657 45.713 45.100 -0.073 0.000 0.776 295 G HN 0.477 nan 8.290 nan 0.000 0.542 296 L N -0.163 120.990 121.223 -0.117 0.000 2.056 296 L HA -0.014 4.325 4.340 -0.001 0.000 0.207 296 L C 2.927 179.783 176.870 -0.022 0.000 1.078 296 L CA 1.275 56.034 54.840 -0.135 0.000 0.749 296 L CB -0.306 41.638 42.059 -0.191 0.000 0.901 296 L HN 0.220 nan 8.230 nan 0.000 0.433 297 R N 0.499 120.870 120.500 -0.214 0.000 2.073 297 R HA -0.216 4.123 4.340 -0.001 0.000 0.234 297 R C 2.454 178.629 176.300 -0.209 0.000 1.134 297 R CA 1.698 57.546 56.100 -0.420 0.000 0.952 297 R CB -0.221 29.396 30.300 -1.137 0.000 0.850 297 R HN 0.163 nan 8.270 nan 0.000 0.433 298 R N 0.007 120.390 120.500 -0.195 0.000 2.189 298 R HA -0.115 4.224 4.340 -0.001 0.000 0.223 298 R C 2.101 178.339 176.300 -0.104 0.000 1.092 298 R CA 1.304 57.321 56.100 -0.138 0.000 0.989 298 R CB -0.060 30.160 30.300 -0.133 0.000 0.876 298 R HN 0.059 nan 8.270 nan 0.000 0.457 299 R N -0.502 119.943 120.500 -0.092 0.000 2.236 299 R HA 0.024 4.363 4.340 -0.001 0.000 0.208 299 R C 0.856 177.165 176.300 0.016 0.000 1.036 299 R CA 1.443 57.492 56.100 -0.084 0.000 1.001 299 R CB 0.091 30.366 30.300 -0.042 0.000 0.896 299 R HN 0.375 nan 8.270 nan 0.000 0.464 300 G N -2.242 106.586 108.800 0.046 0.000 2.175 300 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.182 300 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.182 300 G C -0.547 174.373 174.900 0.033 0.000 1.003 300 G CA -0.129 44.985 45.100 0.024 0.000 0.666 300 G HN 0.220 nan 8.290 nan 0.000 0.506 301 Y N 2.284 122.598 120.300 0.025 0.000 2.411 301 Y HA 0.463 5.013 4.550 -0.000 0.000 0.333 301 Y C 1.540 177.581 175.900 0.235 0.000 1.186 301 Y CA 0.815 58.965 58.100 0.083 0.000 1.381 301 Y CB 0.998 39.512 38.460 0.089 0.000 1.273 301 Y HN 0.255 nan 8.280 nan 0.000 0.546 302 T N -0.714 113.978 114.554 0.231 0.000 2.882 302 T HA 0.521 4.871 4.350 -0.001 0.000 0.287 302 T C 1.102 175.803 174.700 0.001 0.000 0.992 302 T CA -0.419 61.766 62.100 0.142 0.000 1.076 302 T CB 1.611 70.464 68.868 -0.025 0.000 0.961 302 T HN 0.776 nan 8.240 nan 0.000 0.490 303 A N 2.700 125.236 122.820 -0.474 0.000 1.948 303 A HA 0.053 4.372 4.320 -0.001 0.000 0.220 303 A C 2.586 179.960 177.584 -0.350 0.000 1.177 303 A CA 1.987 53.519 52.037 -0.843 0.000 0.636 303 A CB -1.437 16.771 19.000 -1.320 0.000 0.815 303 A HN 1.291 nan 8.150 nan 0.000 0.449 304 A N 0.123 122.788 122.820 -0.259 0.000 1.969 304 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 304 A C 2.491 180.045 177.584 -0.050 0.000 1.169 304 A CA 2.227 54.173 52.037 -0.152 0.000 0.635 304 A CB -0.868 18.046 19.000 -0.144 0.000 0.810 304 A HN 1.029 nan 8.150 nan 0.000 0.445 305 S N -0.064 115.630 115.700 -0.010 0.000 2.387 305 S HA -0.059 4.411 4.470 -0.001 0.000 0.226 305 S C 1.859 176.551 174.600 0.153 0.000 1.026 305 S CA 1.227 59.465 58.200 0.063 0.000 0.972 305 S CB -0.671 62.562 63.200 0.056 0.000 0.814 305 S HN 0.475 nan 8.310 nan 0.000 0.477 306 I N 1.643 122.303 120.570 0.149 0.000 2.202 306 I HA -0.112 4.058 4.170 -0.001 0.000 0.242 306 I C 3.078 179.315 176.117 0.200 0.000 1.091 306 I CA 1.149 62.563 61.300 0.192 0.000 1.368 306 I CB -0.326 37.772 38.000 0.163 0.000 1.058 306 I HN 0.223 nan 8.210 nan 0.000 0.410 307 R N 0.461 121.020 120.500 0.099 0.000 2.127 307 R HA -0.238 4.101 4.340 -0.001 0.000 0.238 307 R C 2.198 178.557 176.300 0.098 0.000 1.134 307 R CA 1.688 57.847 56.100 0.098 0.000 0.975 307 R CB -0.290 30.023 30.300 0.023 0.000 0.865 307 R HN 0.325 nan 8.270 nan 0.000 0.447 308 E N 0.482 120.741 120.200 0.098 0.000 2.107 308 E HA -0.162 4.187 4.350 -0.001 0.000 0.191 308 E C 1.566 178.250 176.600 0.140 0.000 0.982 308 E CA 0.866 57.321 56.400 0.090 0.000 0.809 308 E CB -0.271 29.472 29.700 0.071 0.000 0.756 308 E HN 0.249 nan 8.360 nan 0.000 0.459 309 F N 0.478 120.455 119.950 0.046 0.000 2.095 309 F HA -0.222 4.304 4.527 -0.001 0.000 0.298 309 F C 2.037 177.864 175.800 0.045 0.000 1.104 309 F CA 1.715 59.748 58.000 0.056 0.000 1.232 309 F CB -0.695 38.352 39.000 0.077 0.000 0.987 309 F HN 0.152 nan 8.300 nan 0.000 0.475 310 C N 0.778 120.101 119.300 0.038 0.000 2.422 310 C HA -0.140 4.320 4.460 -0.001 0.000 0.279 310 C C 2.754 177.678 174.990 -0.110 0.000 1.305 310 C CA 1.352 60.317 59.018 -0.088 0.000 1.757 310 C CB -1.278 26.492 27.740 0.049 0.000 1.962 310 C HN 0.553 nan 8.230 nan 0.000 0.499 311 K N 0.652 121.024 120.400 -0.047 0.000 2.062 311 K HA -0.084 4.236 4.320 -0.001 0.000 0.205 311 K C 2.328 178.885 176.600 -0.071 0.000 1.051 311 K CA 1.108 57.369 56.287 -0.044 0.000 0.941 311 K CB -0.139 32.356 32.500 -0.008 0.000 0.719 311 K HN 0.431 nan 8.250 nan 0.000 0.440 312 R N 0.749 121.198 120.500 -0.084 0.000 2.075 312 R HA -0.069 4.270 4.340 -0.001 0.000 0.232 312 R C 2.449 178.662 176.300 -0.144 0.000 1.126 312 R CA 1.734 57.781 56.100 -0.087 0.000 0.963 312 R CB -0.475 29.799 30.300 -0.045 0.000 0.858 312 R HN 0.433 nan 8.270 nan 0.000 0.435 313 I N -1.888 118.513 120.570 -0.283 0.000 2.676 313 I HA 0.144 4.313 4.170 -0.001 0.000 0.259 313 I C 0.997 177.030 176.117 -0.140 0.000 1.194 313 I CA 0.752 61.888 61.300 -0.274 0.000 1.473 313 I CB -0.648 37.055 38.000 -0.496 0.000 1.096 313 I HN 0.184 nan 8.210 nan 0.000 0.443 314 G N 0.895 109.626 108.800 -0.116 0.000 2.828 314 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.463 314 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.463 314 G C -0.697 174.184 174.900 -0.033 0.000 1.394 314 G CA -0.345 44.721 45.100 -0.056 0.000 0.862 314 G HN 0.381 nan 8.290 nan 0.000 0.540 315 V N 1.781 121.704 119.914 0.016 0.000 2.488 315 V HA 0.779 4.899 4.120 -0.001 0.000 0.293 315 V C 0.597 176.848 176.094 0.261 0.000 1.027 315 V CA 0.478 62.822 62.300 0.073 0.000 0.862 315 V CB 1.109 32.865 31.823 -0.111 0.000 1.008 315 V HN 1.775 nan 8.190 nan 0.000 0.428 316 T N 1.227 115.963 114.554 0.304 0.000 2.626 316 T HA 0.544 4.893 4.350 -0.001 0.000 0.279 316 T C 0.172 174.984 174.700 0.186 0.000 0.983 316 T CA -0.711 61.536 62.100 0.245 0.000 1.059 316 T CB 2.314 71.234 68.868 0.088 0.000 1.396 316 T HN 0.347 nan 8.240 nan 0.000 0.519 317 K N 0.000 120.364 120.400 -0.061 0.000 2.387 317 K HA 0.233 4.552 4.320 -0.001 0.000 0.203 317 K C 0.215 176.793 176.600 -0.038 0.000 1.030 317 K CA -0.154 56.088 56.287 -0.076 0.000 1.099 317 K CB 0.590 32.947 32.500 -0.238 0.000 0.863 317 K HN 0.457 nan 8.250 nan 0.000 0.529 318 Q N 1.652 121.444 119.800 -0.013 0.000 2.267 318 Q HA 0.097 4.437 4.340 -0.001 0.000 0.255 318 Q C -0.748 175.255 176.000 0.004 0.000 0.923 318 Q CA -0.208 55.588 55.803 -0.011 0.000 0.925 318 Q CB 1.104 29.836 28.738 -0.009 0.000 1.195 318 Q HN 0.067 nan 8.270 nan 0.000 0.417 319 D N 2.946 123.341 120.400 -0.009 0.000 2.383 319 D HA 0.067 4.707 4.640 -0.001 0.000 0.252 319 D C -0.273 176.025 176.300 -0.004 0.000 1.166 319 D CA 0.418 54.413 54.000 -0.009 0.000 0.879 319 D CB 0.566 41.351 40.800 -0.025 0.000 1.164 319 D HN 0.540 nan 8.370 nan 0.000 0.462 320 N N -0.862 117.842 118.700 0.005 0.000 2.571 320 N HA 0.587 5.326 4.740 -0.001 0.000 0.273 320 N C -1.379 174.136 175.510 0.010 0.000 1.340 320 N CA -0.800 52.255 53.050 0.009 0.000 0.789 320 N CB 1.709 40.208 38.487 0.019 0.000 1.514 320 N HN -0.035 nan 8.380 nan 0.000 0.499 321 T N 0.687 115.250 114.554 0.016 0.000 3.066 321 T HA 0.364 4.713 4.350 -0.001 0.000 0.318 321 T C -0.817 173.913 174.700 0.050 0.000 0.979 321 T CA -0.315 61.798 62.100 0.022 0.000 1.025 321 T CB 0.159 69.023 68.868 -0.007 0.000 1.002 321 T HN 0.412 nan 8.240 nan 0.000 0.453 322 I N 2.987 123.611 120.570 0.090 0.000 2.638 322 I HA 0.194 4.363 4.170 -0.001 0.000 0.286 322 I C 0.959 177.167 176.117 0.153 0.000 1.088 322 I CA -0.098 61.284 61.300 0.137 0.000 1.397 322 I CB 0.639 38.773 38.000 0.225 0.000 1.414 322 I HN 0.542 nan 8.210 nan 0.000 0.566 323 E N 5.223 125.515 120.200 0.154 0.000 2.349 323 E HA 0.130 4.479 4.350 -0.001 0.000 0.265 323 E C 0.612 177.319 176.600 0.178 0.000 1.064 323 E CA -0.611 55.883 56.400 0.157 0.000 0.886 323 E CB 0.739 30.518 29.700 0.132 0.000 1.036 323 E HN 0.481 nan 8.360 nan 0.000 0.413 324 M N 1.008 120.711 119.600 0.172 0.000 2.213 324 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 324 M C 2.010 178.381 176.300 0.117 0.000 1.062 324 M CA 1.211 56.590 55.300 0.131 0.000 1.105 324 M CB -1.078 31.594 32.600 0.119 0.000 1.385 324 M HN 0.697 nan 8.290 nan 0.000 0.417 325 A N -0.803 122.089 122.820 0.120 0.000 2.024 325 A HA -0.150 4.169 4.320 -0.001 0.000 0.220 325 A C 2.485 180.146 177.584 0.129 0.000 1.164 325 A CA 2.104 54.206 52.037 0.107 0.000 0.643 325 A CB -0.697 18.360 19.000 0.095 0.000 0.806 325 A HN 0.486 nan 8.150 nan 0.000 0.451 326 S N -0.864 114.941 115.700 0.174 0.000 2.357 326 S HA -0.024 4.446 4.470 -0.001 0.000 0.221 326 S C 1.914 176.687 174.600 0.289 0.000 1.031 326 S CA 1.121 59.465 58.200 0.239 0.000 0.982 326 S CB -0.369 63.019 63.200 0.313 0.000 0.853 326 S HN 0.542 nan 8.310 nan 0.000 0.458 327 L N 1.065 122.412 121.223 0.207 0.000 2.027 327 L HA -0.097 4.242 4.340 -0.001 0.000 0.206 327 L C 2.460 179.410 176.870 0.133 0.000 1.074 327 L CA 1.750 56.586 54.840 -0.007 0.000 0.745 327 L CB -0.516 41.348 42.059 -0.325 0.000 0.898 327 L HN 0.452 nan 8.230 nan 0.000 0.433 328 E N -0.914 119.362 120.200 0.127 0.000 2.085 328 E HA -0.251 4.098 4.350 -0.001 0.000 0.194 328 E C 2.204 178.846 176.600 0.070 0.000 0.994 328 E CA 1.435 57.898 56.400 0.105 0.000 0.801 328 E CB -0.146 29.608 29.700 0.090 0.000 0.743 328 E HN 0.358 nan 8.360 nan 0.000 0.453 329 S N 0.224 115.979 115.700 0.093 0.000 2.359 329 S HA -0.226 4.244 4.470 -0.001 0.000 0.223 329 S C 2.189 176.826 174.600 0.061 0.000 1.039 329 S CA 1.474 59.721 58.200 0.079 0.000 1.042 329 S CB -0.457 62.801 63.200 0.097 0.000 0.915 329 S HN 0.430 nan 8.310 nan 0.000 0.439 330 C N 0.717 120.077 119.300 0.100 0.000 2.413 330 C HA -0.065 4.395 4.460 -0.001 0.000 0.276 330 C C 2.458 177.446 174.990 -0.004 0.000 1.236 330 C CA 0.899 59.969 59.018 0.088 0.000 1.735 330 C CB -1.474 26.377 27.740 0.185 0.000 2.031 330 C HN 0.728 nan 8.230 nan 0.000 0.474 331 I N 0.941 121.476 120.570 -0.057 0.000 2.315 331 I HA -0.115 4.054 4.170 -0.001 0.000 0.248 331 I C 2.619 178.551 176.117 -0.309 0.000 1.117 331 I CA 1.507 62.647 61.300 -0.268 0.000 1.404 331 I CB -0.583 37.009 38.000 -0.680 0.000 1.071 331 I HN 0.202 nan 8.210 nan 0.000 0.419 332 R N 0.073 120.459 120.500 -0.191 0.000 2.081 332 R HA -0.217 4.122 4.340 -0.001 0.000 0.235 332 R C 2.266 178.483 176.300 -0.138 0.000 1.131 332 R CA 1.741 57.750 56.100 -0.153 0.000 0.960 332 R CB -0.448 29.873 30.300 0.035 0.000 0.856 332 R HN 0.533 nan 8.270 nan 0.000 0.436 333 E N 0.746 120.902 120.200 -0.073 0.000 2.051 333 E HA -0.235 4.115 4.350 -0.001 0.000 0.192 333 E C 1.709 178.260 176.600 -0.083 0.000 0.991 333 E CA 1.585 57.959 56.400 -0.042 0.000 0.799 333 E CB -0.031 29.662 29.700 -0.012 0.000 0.748 333 E HN 0.169 nan 8.360 nan 0.000 0.449 334 D N 0.061 120.382 120.400 -0.132 0.000 2.081 334 D HA -0.166 4.473 4.640 -0.001 0.000 0.194 334 D C 2.028 178.209 176.300 -0.198 0.000 0.986 334 D CA 1.000 54.913 54.000 -0.145 0.000 0.837 334 D CB -0.176 40.530 40.800 -0.156 0.000 0.985 334 D HN 0.173 nan 8.370 nan 0.000 0.448 335 L N 1.302 122.290 121.223 -0.391 0.000 2.127 335 L HA -0.164 4.176 4.340 -0.001 0.000 0.211 335 L C 2.177 178.854 176.870 -0.321 0.000 1.089 335 L CA 1.459 55.961 54.840 -0.563 0.000 0.757 335 L CB -1.621 39.644 42.059 -1.323 0.000 0.899 335 L HN 0.262 nan 8.230 nan 0.000 0.434 336 N N -0.662 117.916 118.700 -0.204 0.000 2.104 336 N HA -0.221 4.518 4.740 -0.001 0.000 0.190 336 N C 1.875 177.519 175.510 0.224 0.000 1.024 336 N CA 1.411 54.551 53.050 0.149 0.000 0.853 336 N CB -0.013 38.555 38.487 0.136 0.000 1.008 336 N HN 0.232 nan 8.380 nan 0.000 0.424 337 E N -0.197 120.070 120.200 0.112 0.000 2.076 337 E HA -0.017 4.333 4.350 -0.001 0.000 0.190 337 E C 0.976 177.643 176.600 0.112 0.000 0.979 337 E CA 0.771 57.232 56.400 0.101 0.000 0.807 337 E CB -0.100 29.602 29.700 0.003 0.000 0.761 337 E HN 0.541 nan 8.360 nan 0.000 0.454 338 N N -0.020 118.725 118.700 0.075 0.000 2.414 338 N HA 0.059 4.799 4.740 -0.001 0.000 0.177 338 N C 0.347 175.924 175.510 0.112 0.000 1.062 338 N CA 0.233 53.318 53.050 0.057 0.000 0.890 338 N CB 0.354 38.827 38.487 -0.024 0.000 1.070 338 N HN -0.067 nan 8.380 nan 0.000 0.454 339 A N 3.728 126.618 122.820 0.116 0.000 2.492 339 A HA 0.240 4.559 4.320 -0.001 0.000 0.254 339 A C -2.171 175.538 177.584 0.209 0.000 1.091 339 A CA -0.773 51.341 52.037 0.129 0.000 0.768 339 A CB -0.117 19.009 19.000 0.210 0.000 1.028 339 A HN 0.019 nan 8.150 nan 0.000 0.498 340 P HA 0.318 nan 4.420 nan 0.000 0.280 340 P C -0.621 176.852 177.300 0.289 0.000 1.244 340 P CA -0.400 62.847 63.100 0.246 0.000 0.784 340 P CB 0.935 32.793 31.700 0.262 0.000 0.913 341 R N 1.579 122.174 120.500 0.157 0.000 2.539 341 R HA 0.653 4.992 4.340 -0.001 0.000 0.275 341 R C 0.358 176.721 176.300 0.104 0.000 1.077 341 R CA 0.142 56.310 56.100 0.112 0.000 1.097 341 R CB 0.248 30.540 30.300 -0.013 0.000 1.018 341 R HN 0.601 nan 8.270 nan 0.000 0.483 342 A N 1.831 124.680 122.820 0.048 0.000 2.583 342 A HA 0.722 5.041 4.320 -0.001 0.000 0.289 342 A C -1.468 175.925 177.584 -0.317 0.000 1.151 342 A CA -0.826 51.124 52.037 -0.145 0.000 0.695 342 A CB 1.474 20.340 19.000 -0.223 0.000 1.290 342 A HN 0.445 nan 8.150 nan 0.000 0.419 343 M N 0.540 119.853 119.600 -0.479 0.000 2.243 343 M HA 0.720 5.199 4.480 -0.001 0.000 0.324 343 M C -0.220 175.659 176.300 -0.702 0.000 1.031 343 M CA -0.423 54.564 55.300 -0.522 0.000 0.949 343 M CB 0.750 33.039 32.600 -0.518 0.000 1.615 343 M HN 1.192 nan 8.290 nan 0.000 0.430 344 A N 2.782 125.194 122.820 -0.679 0.000 2.549 344 A HA 0.839 5.159 4.320 -0.001 0.000 0.297 344 A C -1.407 176.011 177.584 -0.276 0.000 1.061 344 A CA -0.654 50.956 52.037 -0.711 0.000 0.690 344 A CB 1.823 19.995 19.000 -1.379 0.000 1.287 344 A HN 0.527 nan 8.150 nan 0.000 0.402 345 V N 3.228 123.026 119.914 -0.194 0.000 2.409 345 V HA 0.232 4.351 4.120 -0.001 0.000 0.290 345 V C 0.329 176.350 176.094 -0.121 0.000 1.017 345 V CA -0.125 62.151 62.300 -0.039 0.000 0.841 345 V CB 1.008 32.837 31.823 0.010 0.000 1.003 345 V HN 0.852 nan 8.190 nan 0.000 0.426 346 I N 1.886 122.419 120.570 -0.060 0.000 2.353 346 I HA 0.033 4.202 4.170 -0.001 0.000 0.248 346 I C 1.099 177.167 176.117 -0.082 0.000 1.119 346 I CA 1.317 62.571 61.300 -0.078 0.000 1.417 346 I CB 0.108 38.113 38.000 0.009 0.000 1.078 346 I HN 0.550 nan 8.210 nan 0.000 0.421 347 D N 1.943 122.325 120.400 -0.031 0.000 2.454 347 D HA 0.267 4.907 4.640 -0.001 0.000 0.247 347 D C -2.658 173.640 176.300 -0.003 0.000 1.129 347 D CA -1.513 52.472 54.000 -0.025 0.000 0.877 347 D CB 2.255 43.065 40.800 0.018 0.000 1.082 347 D HN -0.004 nan 8.370 nan 0.000 0.537 348 P HA 0.355 nan 4.420 nan 0.000 0.292 348 P C -1.045 176.362 177.300 0.178 0.000 1.300 348 P CA -0.742 62.393 63.100 0.058 0.000 0.900 348 P CB 2.957 34.612 31.700 -0.076 0.000 1.139 349 V N 1.702 121.800 119.914 0.308 0.000 2.760 349 V HA 0.357 4.476 4.120 -0.001 0.000 0.309 349 V C -0.357 175.898 176.094 0.268 0.000 1.077 349 V CA -1.071 61.394 62.300 0.275 0.000 0.910 349 V CB 2.068 33.961 31.823 0.117 0.000 1.008 349 V HN 0.538 nan 8.190 nan 0.000 0.424 350 K N 5.443 125.895 120.400 0.087 0.000 2.368 350 K HA 0.496 4.815 4.320 -0.001 0.000 0.282 350 K C -0.983 175.388 176.600 -0.381 0.000 1.035 350 K CA -0.216 55.851 56.287 -0.366 0.000 0.973 350 K CB 0.904 33.041 32.500 -0.606 0.000 0.957 350 K HN 0.698 nan 8.250 nan 0.000 0.474 351 L N 6.056 127.024 121.223 -0.424 0.000 2.349 351 L HA 0.436 4.776 4.340 -0.001 0.000 0.278 351 L C -1.169 175.420 176.870 -0.469 0.000 0.996 351 L CA -0.947 53.641 54.840 -0.420 0.000 0.825 351 L CB 1.576 43.461 42.059 -0.289 0.000 1.243 351 L HN 0.547 nan 8.230 nan 0.000 0.412 352 V N 3.323 122.920 119.914 -0.528 0.000 2.370 352 V HA 0.496 4.616 4.120 -0.001 0.000 0.283 352 V C 0.084 176.028 176.094 -0.250 0.000 1.023 352 V CA -0.529 61.517 62.300 -0.423 0.000 0.857 352 V CB 1.221 32.778 31.823 -0.445 0.000 0.985 352 V HN 0.659 nan 8.190 nan 0.000 0.443 353 I N 4.411 124.855 120.570 -0.211 0.000 2.278 353 I HA 0.261 4.431 4.170 -0.001 0.000 0.296 353 I C 1.294 177.416 176.117 0.009 0.000 1.121 353 I CA 0.046 61.300 61.300 -0.077 0.000 1.267 353 I CB 0.466 38.396 38.000 -0.117 0.000 1.447 353 I HN 0.763 nan 8.210 nan 0.000 0.509 354 E N 3.688 123.926 120.200 0.064 0.000 2.204 354 E HA -0.194 4.156 4.350 -0.001 0.000 0.194 354 E C 1.733 178.391 176.600 0.097 0.000 0.989 354 E CA 0.583 57.033 56.400 0.085 0.000 0.824 354 E CB -0.026 29.742 29.700 0.114 0.000 0.756 354 E HN 0.643 nan 8.360 nan 0.000 0.477 355 N N 0.384 119.171 118.700 0.144 0.000 2.223 355 N HA -0.148 4.591 4.740 -0.001 0.000 0.185 355 N C 0.018 175.687 175.510 0.264 0.000 1.016 355 N CA 0.386 53.556 53.050 0.199 0.000 0.863 355 N CB 0.056 38.709 38.487 0.277 0.000 0.983 355 N HN 0.079 nan 8.380 nan 0.000 0.429 356 Y N 2.565 122.888 120.300 0.038 0.000 2.526 356 Y HA -0.017 4.532 4.550 -0.001 0.000 0.330 356 Y C 0.198 176.057 175.900 -0.069 0.000 1.156 356 Y CA 0.008 58.022 58.100 -0.144 0.000 1.419 356 Y CB 0.431 38.663 38.460 -0.379 0.000 1.250 356 Y HN 0.130 nan 8.280 nan 0.000 0.540 357 Q N 5.238 124.763 119.800 -0.460 0.000 2.333 357 Q HA 0.706 5.045 4.340 -0.001 0.000 0.267 357 Q C -0.558 175.224 176.000 -0.364 0.000 1.012 357 Q CA -0.272 55.368 55.803 -0.272 0.000 0.824 357 Q CB 1.936 30.576 28.738 -0.164 0.000 1.290 357 Q HN 0.960 nan 8.270 nan 0.000 0.449 358 G N 2.271 110.991 108.800 -0.133 0.000 2.343 358 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.465 358 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.465 358 G C -0.389 174.544 174.900 0.056 0.000 1.282 358 G CA -0.405 44.663 45.100 -0.053 0.000 0.996 358 G HN 0.443 nan 8.290 nan 0.000 0.521 359 E N 0.111 120.355 120.200 0.074 0.000 2.474 359 E HA 0.393 4.743 4.350 -0.001 0.000 0.195 359 E C 1.161 177.845 176.600 0.140 0.000 1.039 359 E CA 1.217 57.661 56.400 0.073 0.000 0.881 359 E CB 0.853 30.580 29.700 0.046 0.000 0.970 359 E HN 1.838 nan 8.360 nan 0.000 0.486 360 G N 1.643 110.588 108.800 0.242 0.000 2.347 360 G HA2 0.049 4.009 3.960 -0.001 0.000 0.341 360 G HA3 0.049 4.009 3.960 -0.001 0.000 0.341 360 G C -1.109 173.971 174.900 0.299 0.000 1.287 360 G CA -0.272 45.002 45.100 0.290 0.000 0.984 360 G HN 0.117 nan 8.290 nan 0.000 0.526 361 E N -2.241 118.129 120.200 0.283 0.000 2.425 361 E HA 0.767 5.117 4.350 -0.001 0.000 0.272 361 E C -1.410 175.297 176.600 0.179 0.000 1.061 361 E CA -1.145 55.404 56.400 0.249 0.000 0.877 361 E CB 1.560 31.466 29.700 0.344 0.000 1.590 361 E HN 0.776 nan 8.360 nan 0.000 0.462 362 M N 2.304 121.991 119.600 0.145 0.000 2.142 362 M HA 0.341 4.820 4.480 -0.001 0.000 0.299 362 M C -1.433 174.927 176.300 0.100 0.000 0.960 362 M CA -0.699 54.660 55.300 0.098 0.000 0.920 362 M CB 1.892 34.524 32.600 0.054 0.000 1.541 362 M HN 0.531 nan 8.290 nan 0.000 0.429 363 V N 1.102 121.087 119.914 0.118 0.000 2.713 363 V HA 0.746 4.866 4.120 -0.001 0.000 0.307 363 V C -0.004 176.121 176.094 0.051 0.000 1.052 363 V CA -0.501 61.839 62.300 0.067 0.000 0.967 363 V CB 1.490 33.359 31.823 0.076 0.000 1.019 363 V HN 0.760 nan 8.190 nan 0.000 0.459 364 T N 5.787 120.353 114.554 0.020 0.000 2.817 364 T HA 0.590 4.939 4.350 -0.001 0.000 0.293 364 T C -0.242 174.470 174.700 0.020 0.000 0.964 364 T CA -0.002 62.109 62.100 0.017 0.000 1.085 364 T CB 0.495 69.368 68.868 0.008 0.000 0.921 364 T HN 0.721 nan 8.240 nan 0.000 0.502 365 M N 4.413 124.023 119.600 0.018 0.000 2.213 365 M HA 0.322 4.801 4.480 -0.001 0.000 0.286 365 M C -2.634 173.678 176.300 0.020 0.000 1.008 365 M CA -2.232 53.076 55.300 0.014 0.000 0.937 365 M CB 2.711 35.306 32.600 -0.008 0.000 1.600 365 M HN 0.228 nan 8.290 nan 0.000 0.450 366 P HA 0.063 nan 4.420 nan 0.000 0.265 366 P C -0.152 177.184 177.300 0.059 0.000 1.193 366 P CA 0.015 63.144 63.100 0.048 0.000 0.765 366 P CB 0.526 32.257 31.700 0.052 0.000 0.823 367 N N 0.857 119.609 118.700 0.088 0.000 2.457 367 N HA -0.105 4.634 4.740 -0.001 0.000 0.180 367 N C -0.080 175.527 175.510 0.162 0.000 1.050 367 N CA 1.021 54.141 53.050 0.117 0.000 0.906 367 N CB -0.208 38.355 38.487 0.127 0.000 0.968 367 N HN 0.601 nan 8.380 nan 0.000 0.445 368 H N -1.149 117.957 119.070 0.060 0.000 3.287 368 H HA 0.201 4.758 4.556 0.000 0.000 0.329 368 H C -2.188 173.168 175.328 0.047 0.000 1.130 368 H CA -1.029 55.056 56.048 0.062 0.000 1.593 368 H CB 1.579 31.376 29.762 0.059 0.000 1.916 368 H HN -0.165 nan 8.280 nan 0.000 0.503 369 P HA -0.141 nan 4.420 nan 0.000 0.221 369 P C -0.019 177.374 177.300 0.155 0.000 1.141 369 P CA 1.392 64.548 63.100 0.093 0.000 0.794 369 P CB 0.214 31.931 31.700 0.028 0.000 0.764 370 N N -2.331 116.560 118.700 0.318 0.000 2.159 370 N HA 0.107 4.846 4.740 -0.001 0.000 0.217 370 N C -0.206 175.371 175.510 0.112 0.000 1.223 370 N CA -0.007 53.172 53.050 0.214 0.000 0.896 370 N CB 0.518 39.132 38.487 0.212 0.000 1.064 370 N HN -0.037 nan 8.380 nan 0.000 0.518 371 K N 0.924 121.383 120.400 0.097 0.000 2.827 371 K HA 0.205 4.525 4.320 -0.001 0.000 0.186 371 K C -2.049 174.558 176.600 0.011 0.000 1.093 371 K CA -1.473 54.774 56.287 -0.066 0.000 0.993 371 K CB 2.041 34.324 32.500 -0.362 0.000 1.199 371 K HN -0.070 nan 8.250 nan 0.000 0.598 372 P HA -0.292 nan 4.420 nan 0.000 0.217 372 P C 0.926 178.239 177.300 0.021 0.000 1.148 372 P CA 1.452 64.571 63.100 0.032 0.000 0.828 372 P CB 0.365 32.079 31.700 0.023 0.000 0.783 373 E N 0.276 120.477 120.200 0.002 0.000 2.265 373 E HA -0.158 4.191 4.350 -0.001 0.000 0.196 373 E C 1.734 178.338 176.600 0.008 0.000 0.996 373 E CA 0.985 57.384 56.400 -0.001 0.000 0.832 373 E CB -1.027 28.663 29.700 -0.017 0.000 0.756 373 E HN 0.343 nan 8.360 nan 0.000 0.491 374 M N 0.781 120.391 119.600 0.017 0.000 2.659 374 M HA 0.130 4.610 4.480 -0.001 0.000 0.243 374 M C 0.964 177.300 176.300 0.059 0.000 1.111 374 M CA 0.749 56.073 55.300 0.041 0.000 1.070 374 M CB 0.077 32.718 32.600 0.068 0.000 1.525 374 M HN 0.296 nan 8.290 nan 0.000 0.517 375 G N 0.199 109.029 108.800 0.050 0.000 2.693 375 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.226 375 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.226 375 G C -0.565 174.369 174.900 0.057 0.000 1.354 375 G CA -0.444 44.685 45.100 0.048 0.000 0.873 375 G HN 0.367 nan 8.290 nan 0.000 0.562 376 S N -0.906 114.822 115.700 0.048 0.000 2.732 376 S HA 0.923 5.392 4.470 -0.001 0.000 0.293 376 S C -0.050 174.573 174.600 0.038 0.000 1.159 376 S CA -0.002 58.224 58.200 0.043 0.000 0.847 376 S CB 1.895 65.115 63.200 0.034 0.000 1.169 376 S HN 1.234 nan 8.310 nan 0.000 0.501 377 R N 0.240 120.757 120.500 0.028 0.000 2.734 377 R HA 0.658 4.997 4.340 -0.001 0.000 0.271 377 R C -2.001 174.306 176.300 0.012 0.000 1.021 377 R CA -1.002 55.111 56.100 0.021 0.000 0.893 377 R CB 0.807 31.118 30.300 0.018 0.000 1.244 377 R HN 0.340 nan 8.270 nan 0.000 0.464 378 Q N 1.157 120.963 119.800 0.010 0.000 2.303 378 Q HA 0.423 4.762 4.340 -0.001 0.000 0.257 378 Q C -1.236 174.759 176.000 -0.008 0.000 0.941 378 Q CA -0.479 55.330 55.803 0.010 0.000 0.931 378 Q CB 2.001 30.748 28.738 0.015 0.000 1.215 378 Q HN 0.497 nan 8.270 nan 0.000 0.437 379 V N 6.243 126.156 119.914 -0.001 0.000 2.555 379 V HA 0.558 4.678 4.120 -0.001 0.000 0.302 379 V C -2.274 173.829 176.094 0.014 0.000 1.038 379 V CA -2.033 60.248 62.300 -0.032 0.000 0.887 379 V CB 1.864 33.643 31.823 -0.074 0.000 0.991 379 V HN 0.754 nan 8.190 nan 0.000 0.434 380 P HA 0.218 nan 4.420 nan 0.000 0.276 380 P C -0.976 176.360 177.300 0.060 0.000 1.253 380 P CA 0.063 63.033 63.100 -0.217 0.000 0.766 380 P CB 0.653 31.807 31.700 -0.911 0.000 0.845 381 F N 3.414 123.389 119.950 0.042 0.000 2.440 381 F HA 0.579 5.106 4.527 -0.000 0.000 0.328 381 F C 0.070 175.786 175.800 -0.141 0.000 1.070 381 F CA 0.424 58.446 58.000 0.036 0.000 1.011 381 F CB 1.778 40.759 39.000 -0.033 0.000 1.226 381 F HN 0.529 nan 8.300 nan 0.000 0.491 382 S N 1.215 116.033 115.700 -1.470 0.000 2.656 382 S HA 0.396 4.865 4.470 -0.001 0.000 0.265 382 S C -0.002 173.590 174.600 -1.680 0.000 1.132 382 S CA -0.387 57.086 58.200 -1.211 0.000 0.819 382 S CB 0.824 63.790 63.200 -0.390 0.000 1.119 382 S HN 0.984 nan 8.310 nan 0.000 0.476 383 G N -0.600 107.577 108.800 -1.038 0.000 2.813 383 G HA2 0.279 4.238 3.960 -0.001 0.000 0.209 383 G HA3 0.279 4.238 3.960 -0.001 0.000 0.209 383 G C -0.012 174.576 174.900 -0.520 0.000 1.150 383 G CA 0.011 44.702 45.100 -0.683 0.000 0.785 383 G HN 0.664 nan 8.290 nan 0.000 0.535 384 E N 0.782 120.667 120.200 -0.526 0.000 2.593 384 E HA 0.327 4.676 4.350 -0.001 0.000 0.232 384 E C -0.039 176.209 176.600 -0.587 0.000 1.026 384 E CA -0.396 55.693 56.400 -0.519 0.000 0.772 384 E CB 1.154 30.582 29.700 -0.453 0.000 1.310 384 E HN 0.491 nan 8.360 nan 0.000 0.413 385 I N -2.360 117.872 120.570 -0.564 0.000 3.501 385 I HA 0.656 4.826 4.170 -0.001 0.000 0.297 385 I C -0.660 175.182 176.117 -0.458 0.000 1.199 385 I CA -1.006 60.052 61.300 -0.404 0.000 0.987 385 I CB 1.263 39.129 38.000 -0.224 0.000 1.365 385 I HN 0.216 nan 8.210 nan 0.000 0.574 386 W N 2.110 123.362 121.300 -0.080 0.000 2.739 386 W HA 0.710 5.369 4.660 -0.001 0.000 0.331 386 W C -0.516 175.994 176.519 -0.014 0.000 1.049 386 W CA -0.548 56.746 57.345 -0.084 0.000 1.234 386 W CB 1.907 31.313 29.460 -0.090 0.000 1.404 386 W HN 0.461 nan 8.180 nan 0.000 0.477 387 I N -1.286 119.423 120.570 0.232 0.000 3.108 387 I HA 0.620 4.790 4.170 -0.001 0.000 0.312 387 I C -0.932 175.225 176.117 0.066 0.000 1.095 387 I CA -1.172 60.184 61.300 0.093 0.000 1.000 387 I CB 2.030 40.060 38.000 0.051 0.000 1.229 387 I HN 0.192 nan 8.210 nan 0.000 0.454 388 D N 1.329 121.702 120.400 -0.045 0.000 2.312 388 D HA 0.280 4.919 4.640 -0.001 0.000 0.252 388 D C 1.043 177.390 176.300 0.079 0.000 1.150 388 D CA -0.249 53.752 54.000 0.002 0.000 0.870 388 D CB 1.254 42.028 40.800 -0.043 0.000 1.153 388 D HN 0.483 nan 8.370 nan 0.000 0.457 389 R N 2.808 123.370 120.500 0.103 0.000 2.133 389 R HA -0.217 4.122 4.340 -0.001 0.000 0.247 389 R C 1.583 177.988 176.300 0.175 0.000 1.151 389 R CA 1.482 57.667 56.100 0.143 0.000 0.971 389 R CB -0.304 30.065 30.300 0.115 0.000 0.866 389 R HN 0.504 nan 8.270 nan 0.000 0.447 390 A N 0.708 123.615 122.820 0.145 0.000 2.239 390 A HA -0.071 4.249 4.320 -0.001 0.000 0.209 390 A C 0.718 178.437 177.584 0.225 0.000 1.171 390 A CA 0.873 53.013 52.037 0.171 0.000 0.768 390 A CB 0.069 19.152 19.000 0.138 0.000 0.790 390 A HN 0.154 nan 8.150 nan 0.000 0.478 391 D N -1.726 118.797 120.400 0.204 0.000 2.369 391 D HA 0.199 4.839 4.640 -0.001 0.000 0.211 391 D C -0.648 175.850 176.300 0.330 0.000 1.077 391 D CA 0.235 54.348 54.000 0.188 0.000 0.842 391 D CB 0.251 41.095 40.800 0.074 0.000 0.947 391 D HN 0.420 nan 8.370 nan 0.000 0.509 392 F N 1.063 121.140 119.950 0.210 0.000 2.539 392 F HA 0.551 5.077 4.527 -0.001 0.000 0.318 392 F C -1.015 174.874 175.800 0.149 0.000 1.135 392 F CA -1.010 57.102 58.000 0.187 0.000 0.915 392 F CB 1.359 40.418 39.000 0.099 0.000 1.176 392 F HN -0.450 nan 8.300 nan 0.000 0.440 393 R N 4.174 124.264 120.500 -0.685 0.000 2.502 393 R HA 0.309 4.649 4.340 -0.001 0.000 0.300 393 R C 0.480 176.214 176.300 -0.944 0.000 0.984 393 R CA -0.402 55.225 56.100 -0.788 0.000 0.882 393 R CB 1.290 31.006 30.300 -0.973 0.000 1.180 393 R HN 0.822 nan 8.270 nan 0.000 0.444 394 E N 1.433 121.131 120.200 -0.837 0.000 2.333 394 E HA -0.180 4.169 4.350 -0.001 0.000 0.198 394 E C -0.068 176.369 176.600 -0.271 0.000 1.007 394 E CA 1.216 57.331 56.400 -0.475 0.000 0.845 394 E CB 0.307 29.895 29.700 -0.185 0.000 0.766 394 E HN 0.577 nan 8.360 nan 0.000 0.507 395 E N -0.464 119.556 120.200 -0.301 0.000 4.039 395 E HA 0.646 4.995 4.350 -0.001 0.000 0.144 395 E C -0.627 175.806 176.600 -0.278 0.000 1.036 395 E CA -0.520 55.752 56.400 -0.212 0.000 0.882 395 E CB -0.077 29.530 29.700 -0.155 0.000 1.874 395 E HN 0.043 nan 8.360 nan 0.000 0.392 396 A N 0.695 123.376 122.820 -0.232 0.000 2.435 396 A HA -0.053 4.267 4.320 -0.001 0.000 0.686 396 A C 0.119 177.630 177.584 -0.122 0.000 0.138 396 A CA 0.044 51.935 52.037 -0.244 0.000 0.024 396 A CB -2.025 16.662 19.000 -0.520 0.000 3.974 396 A HN 0.858 nan 8.150 nan 0.000 0.548 397 N N 1.322 119.988 118.700 -0.058 0.000 2.120 397 N HA -0.090 4.650 4.740 -0.001 0.000 0.216 397 N C 0.718 176.261 175.510 0.055 0.000 1.303 397 N CA 0.895 53.950 53.050 0.008 0.000 0.874 397 N CB 0.281 38.784 38.487 0.027 0.000 1.066 397 N HN 0.756 nan 8.380 nan 0.000 0.442 398 K N -0.179 120.252 120.400 0.052 0.000 2.296 398 K HA -0.067 4.252 4.320 -0.001 0.000 0.200 398 K C 2.032 178.678 176.600 0.078 0.000 1.048 398 K CA 0.748 57.072 56.287 0.061 0.000 0.966 398 K CB 0.007 32.530 32.500 0.039 0.000 0.754 398 K HN 0.492 nan 8.250 nan 0.000 0.466 399 Q N -0.073 119.777 119.800 0.083 0.000 2.167 399 Q HA -0.096 4.244 4.340 -0.001 0.000 0.202 399 Q C -0.049 176.016 176.000 0.110 0.000 0.970 399 Q CA 0.600 56.451 55.803 0.080 0.000 0.855 399 Q CB 0.049 28.829 28.738 0.070 0.000 0.911 399 Q HN 0.293 nan 8.270 nan 0.000 0.438 400 Y N 2.703 123.007 120.300 0.006 0.000 2.770 400 Y HA -0.126 4.424 4.550 -0.000 0.000 0.342 400 Y C 0.743 176.651 175.900 0.013 0.000 1.221 400 Y CA 0.526 58.630 58.100 0.006 0.000 1.560 400 Y CB 0.177 38.631 38.460 -0.010 0.000 1.213 400 Y HN -0.035 nan 8.280 nan 0.000 0.525 401 K N 4.589 124.848 120.400 -0.234 0.000 2.437 401 K HA 0.263 4.583 4.320 -0.001 0.000 0.198 401 K C 0.142 176.598 176.600 -0.241 0.000 1.024 401 K CA -0.052 56.138 56.287 -0.162 0.000 1.148 401 K CB 0.489 32.933 32.500 -0.092 0.000 0.860 401 K HN 0.483 nan 8.250 nan 0.000 0.515 402 R N 0.160 120.320 120.500 -0.567 0.000 2.740 402 R HA 0.324 4.664 4.340 -0.001 0.000 0.223 402 R C -0.559 175.768 176.300 0.044 0.000 1.362 402 R CA -1.196 54.704 56.100 -0.334 0.000 1.069 402 R CB 0.194 30.180 30.300 -0.524 0.000 1.739 402 R HN -0.023 nan 8.270 nan 0.000 0.533 403 L N 1.595 122.931 121.223 0.188 0.000 2.500 403 L HA 0.133 4.472 4.340 -0.001 0.000 0.272 403 L C -0.915 176.141 176.870 0.310 0.000 1.149 403 L CA 0.510 55.527 54.840 0.295 0.000 0.897 403 L CB 0.611 42.888 42.059 0.363 0.000 1.178 403 L HN 0.208 nan 8.230 nan 0.000 0.473 404 V N 5.922 125.960 119.914 0.206 0.000 2.769 404 V HA 0.208 4.328 4.120 -0.001 0.000 0.312 404 V C 0.677 176.849 176.094 0.129 0.000 1.058 404 V CA -0.922 61.399 62.300 0.035 0.000 0.952 404 V CB 1.790 33.635 31.823 0.036 0.000 1.019 404 V HN 0.625 nan 8.190 nan 0.000 0.445 405 L N 3.065 124.323 121.223 0.058 0.000 2.962 405 L HA 0.229 4.568 4.340 -0.001 0.000 0.263 405 L C 1.163 178.116 176.870 0.139 0.000 1.152 405 L CA 1.668 56.632 54.840 0.206 0.000 0.954 405 L CB -0.953 41.204 42.059 0.164 0.000 1.213 405 L HN 0.954 nan 8.230 nan 0.000 0.422 406 G N -1.842 107.029 108.800 0.118 0.000 4.446 406 G HA2 0.021 3.981 3.960 -0.001 0.000 0.205 406 G HA3 0.021 3.981 3.960 -0.001 0.000 0.205 406 G C -0.029 174.918 174.900 0.078 0.000 0.820 406 G CA -0.381 44.770 45.100 0.084 0.000 0.792 406 G HN 0.198 nan 8.290 nan 0.000 0.525 407 K N 1.257 121.716 120.400 0.097 0.000 2.258 407 K HA 0.708 5.027 4.320 -0.001 0.000 0.236 407 K C -0.194 176.465 176.600 0.099 0.000 1.008 407 K CA -0.744 55.596 56.287 0.088 0.000 0.869 407 K CB 1.389 33.943 32.500 0.090 0.000 1.171 407 K HN 0.188 nan 8.250 nan 0.000 0.447 408 E N -0.272 119.976 120.200 0.080 0.000 2.232 408 E HA 0.633 4.982 4.350 -0.001 0.000 0.264 408 E C -0.977 175.669 176.600 0.076 0.000 0.973 408 E CA -1.103 55.343 56.400 0.076 0.000 0.849 408 E CB 1.543 31.276 29.700 0.055 0.000 1.198 408 E HN 0.289 nan 8.360 nan 0.000 0.407 409 V N -1.763 118.195 119.914 0.074 0.000 3.048 409 V HA 0.674 4.794 4.120 -0.001 0.000 0.303 409 V C -0.950 175.181 176.094 0.061 0.000 1.214 409 V CA -1.310 61.030 62.300 0.066 0.000 0.984 409 V CB 1.806 33.676 31.823 0.077 0.000 1.054 409 V HN 0.674 nan 8.190 nan 0.000 0.430 410 R N 2.773 123.307 120.500 0.056 0.000 2.234 410 R HA 0.588 4.928 4.340 -0.001 0.000 0.324 410 R C -0.713 175.632 176.300 0.075 0.000 1.054 410 R CA -0.686 55.447 56.100 0.055 0.000 0.912 410 R CB 0.153 30.481 30.300 0.046 0.000 1.030 410 R HN 0.906 nan 8.270 nan 0.000 0.455 411 L N 4.778 126.031 121.223 0.050 0.000 2.367 411 L HA 0.289 4.628 4.340 -0.001 0.000 0.275 411 L C 0.973 177.971 176.870 0.213 0.000 1.129 411 L CA -0.430 54.444 54.840 0.056 0.000 0.839 411 L CB 0.590 42.498 42.059 -0.252 0.000 1.133 411 L HN 0.455 nan 8.230 nan 0.000 0.453 412 R N 3.896 124.671 120.500 0.457 0.000 2.513 412 R HA -0.121 4.219 4.340 -0.001 0.000 0.333 412 R C 0.421 176.972 176.300 0.419 0.000 0.925 412 R CA 0.767 57.096 56.100 0.382 0.000 1.072 412 R CB -0.746 29.738 30.300 0.307 0.000 0.914 412 R HN 0.771 nan 8.270 nan 0.000 0.408 413 N N 0.397 119.211 118.700 0.190 0.000 2.753 413 N HA -0.318 4.422 4.740 -0.001 0.000 0.251 413 N C -0.282 175.256 175.510 0.047 0.000 1.097 413 N CA 0.873 53.988 53.050 0.108 0.000 0.786 413 N CB -0.358 38.194 38.487 0.109 0.000 1.137 413 N HN 0.722 nan 8.380 nan 0.000 0.566 414 A N -0.795 122.016 122.820 -0.015 0.000 3.884 414 A HA 0.730 5.049 4.320 -0.001 0.000 0.170 414 A C -0.679 176.617 177.584 -0.481 0.000 0.825 414 A CA -0.358 51.464 52.037 -0.357 0.000 0.978 414 A CB 0.324 19.080 19.000 -0.407 0.000 1.566 414 A HN 0.144 nan 8.150 nan 0.000 0.770 415 Y N -1.162 118.943 120.300 -0.325 0.000 2.545 415 Y HA 0.536 5.087 4.550 0.000 0.000 0.324 415 Y C 0.305 176.160 175.900 -0.076 0.000 1.220 415 Y CA -0.696 57.308 58.100 -0.161 0.000 1.290 415 Y CB 1.038 39.450 38.460 -0.080 0.000 1.355 415 Y HN 0.247 nan 8.280 nan 0.000 0.516 416 V N 3.636 123.648 119.914 0.162 0.000 2.465 416 V HA 0.344 4.463 4.120 -0.001 0.000 0.279 416 V C 0.007 176.165 176.094 0.108 0.000 1.045 416 V CA -0.569 61.787 62.300 0.094 0.000 0.938 416 V CB 0.554 32.413 31.823 0.060 0.000 0.986 416 V HN 0.587 nan 8.190 nan 0.000 0.467 417 I N 1.687 122.312 120.570 0.092 0.000 2.957 417 I HA 0.746 4.915 4.170 -0.001 0.000 0.310 417 I C -0.641 175.523 176.117 0.079 0.000 1.063 417 I CA -0.977 60.380 61.300 0.096 0.000 1.033 417 I CB 2.161 40.212 38.000 0.086 0.000 1.230 417 I HN 0.525 nan 8.210 nan 0.000 0.447 418 K N 3.120 123.566 120.400 0.077 0.000 2.507 418 K HA 0.706 5.026 4.320 -0.001 0.000 0.252 418 K C -1.052 175.602 176.600 0.091 0.000 0.943 418 K CA -0.598 55.738 56.287 0.082 0.000 0.808 418 K CB 2.011 34.550 32.500 0.064 0.000 1.142 418 K HN 0.945 nan 8.250 nan 0.000 0.426 419 A N 3.566 126.462 122.820 0.126 0.000 2.388 419 A HA 0.230 4.549 4.320 -0.001 0.000 0.257 419 A C 0.082 177.751 177.584 0.142 0.000 1.095 419 A CA 0.092 52.215 52.037 0.144 0.000 0.791 419 A CB 0.436 19.614 19.000 0.297 0.000 1.029 419 A HN 1.018 nan 8.150 nan 0.000 0.489 420 E N 0.047 120.324 120.200 0.128 0.000 2.684 420 E HA 0.129 4.479 4.350 -0.001 0.000 0.204 420 E C 0.278 176.941 176.600 0.105 0.000 0.900 420 E CA -0.128 56.335 56.400 0.106 0.000 1.481 420 E CB 0.583 30.328 29.700 0.076 0.000 1.468 420 E HN 0.554 nan 8.360 nan 0.000 0.778 421 R N 1.713 122.288 120.500 0.126 0.000 2.514 421 R HA 0.409 4.748 4.340 -0.001 0.000 0.296 421 R C -1.454 174.978 176.300 0.221 0.000 1.012 421 R CA -0.217 55.944 56.100 0.102 0.000 0.897 421 R CB 2.005 32.277 30.300 -0.046 0.000 1.184 421 R HN 0.010 nan 8.270 nan 0.000 0.440 422 V N 2.548 122.573 119.914 0.185 0.000 3.234 422 V HA 0.535 4.654 4.120 -0.001 0.000 0.317 422 V C -0.599 175.620 176.094 0.210 0.000 1.081 422 V CA -0.327 62.086 62.300 0.189 0.000 1.037 422 V CB 1.838 33.788 31.823 0.211 0.000 1.148 422 V HN 0.900 nan 8.190 nan 0.000 0.453 423 E N 1.584 121.907 120.200 0.204 0.000 2.311 423 E HA 0.439 4.788 4.350 -0.001 0.000 0.281 423 E C -1.453 175.219 176.600 0.120 0.000 0.905 423 E CA -0.650 55.857 56.400 0.179 0.000 0.778 423 E CB 1.745 31.641 29.700 0.327 0.000 1.240 423 E HN 0.689 nan 8.360 nan 0.000 0.410 424 K N 1.899 122.353 120.400 0.089 0.000 2.354 424 K HA 0.384 4.703 4.320 -0.001 0.000 0.238 424 K C -0.330 176.305 176.600 0.058 0.000 1.068 424 K CA -0.823 55.508 56.287 0.073 0.000 0.925 424 K CB 0.849 33.390 32.500 0.069 0.000 1.286 424 K HN 0.566 nan 8.250 nan 0.000 0.500 425 D N -0.740 119.690 120.400 0.050 0.000 2.658 425 D HA 0.250 4.890 4.640 -0.001 0.000 0.243 425 D C 0.857 177.176 176.300 0.032 0.000 1.159 425 D CA -0.424 53.600 54.000 0.040 0.000 1.084 425 D CB -0.064 40.760 40.800 0.040 0.000 1.227 425 D HN 0.390 nan 8.370 nan 0.000 0.636 426 A N -0.072 122.765 122.820 0.027 0.000 1.841 426 A HA -0.213 4.106 4.320 -0.001 0.000 0.216 426 A C 1.753 179.350 177.584 0.022 0.000 1.199 426 A CA 1.968 54.018 52.037 0.022 0.000 0.621 426 A CB -1.158 17.854 19.000 0.019 0.000 0.835 426 A HN 0.710 nan 8.150 nan 0.000 0.445 427 E N -0.413 119.801 120.200 0.023 0.000 2.405 427 E HA 0.224 4.573 4.350 -0.001 0.000 0.194 427 E C 1.032 177.648 176.600 0.027 0.000 1.149 427 E CA 0.365 56.778 56.400 0.022 0.000 0.933 427 E CB -0.814 28.899 29.700 0.021 0.000 1.028 427 E HN 0.768 nan 8.360 nan 0.000 0.487 428 G N 1.184 110.002 108.800 0.030 0.000 2.196 428 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.268 428 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.268 428 G C -0.180 174.749 174.900 0.047 0.000 0.975 428 G CA 0.617 45.739 45.100 0.036 0.000 0.648 428 G HN 0.452 nan 8.290 nan 0.000 0.538 429 N N 0.155 118.883 118.700 0.047 0.000 2.518 429 N HA 0.510 5.249 4.740 -0.001 0.000 0.266 429 N C 0.646 176.197 175.510 0.068 0.000 1.196 429 N CA -0.288 52.797 53.050 0.057 0.000 0.947 429 N CB 0.960 39.477 38.487 0.050 0.000 1.098 429 N HN 0.353 nan 8.380 nan 0.000 0.450 430 I N 0.716 121.338 120.570 0.086 0.000 2.634 430 I HA -0.029 4.140 4.170 -0.001 0.000 0.284 430 I C 1.422 177.577 176.117 0.063 0.000 1.124 430 I CA 0.115 61.468 61.300 0.087 0.000 1.417 430 I CB 0.724 38.794 38.000 0.118 0.000 1.396 430 I HN 0.786 nan 8.210 nan 0.000 0.571 431 T N -0.602 113.981 114.554 0.048 0.000 3.026 431 T HA 0.101 4.450 4.350 -0.001 0.000 0.245 431 T C 0.604 175.287 174.700 -0.029 0.000 1.004 431 T CA 0.105 62.224 62.100 0.033 0.000 1.069 431 T CB 0.509 69.402 68.868 0.043 0.000 1.005 431 T HN 0.656 nan 8.240 nan 0.000 0.472 432 T N 0.350 114.857 114.554 -0.077 0.000 2.889 432 T HA 0.643 4.993 4.350 -0.001 0.000 0.315 432 T C -2.231 172.259 174.700 -0.350 0.000 1.291 432 T CA -0.817 61.114 62.100 -0.281 0.000 1.028 432 T CB 1.525 70.129 68.868 -0.441 0.000 1.235 432 T HN 0.117 nan 8.240 nan 0.000 0.491 433 I N 3.648 123.896 120.570 -0.535 0.000 2.436 433 I HA 0.547 4.717 4.170 -0.001 0.000 0.289 433 I C -0.972 174.818 176.117 -0.546 0.000 1.010 433 I CA -0.509 60.503 61.300 -0.480 0.000 1.098 433 I CB 1.477 39.083 38.000 -0.657 0.000 1.266 433 I HN 0.537 nan 8.210 nan 0.000 0.434 434 F N 5.025 124.873 119.950 -0.171 0.000 2.415 434 F HA 0.621 5.148 4.527 -0.001 0.000 0.348 434 F C 0.216 175.968 175.800 -0.081 0.000 1.119 434 F CA -0.470 57.462 58.000 -0.113 0.000 1.069 434 F CB 1.026 39.980 39.000 -0.077 0.000 1.124 434 F HN 0.374 nan 8.300 nan 0.000 0.472 435 C N 0.285 119.615 119.300 0.051 0.000 3.108 435 C HA 0.891 5.351 4.460 -0.001 0.000 0.321 435 C C -0.097 174.942 174.990 0.081 0.000 1.357 435 C CA -0.935 58.115 59.018 0.053 0.000 1.562 435 C CB 1.953 29.698 27.740 0.008 0.000 2.003 435 C HN 0.865 nan 8.230 nan 0.000 0.460 436 T N -0.737 113.873 114.554 0.094 0.000 2.908 436 T HA 0.740 5.089 4.350 -0.001 0.000 0.290 436 T C -1.132 173.670 174.700 0.170 0.000 1.034 436 T CA -0.380 61.796 62.100 0.126 0.000 1.010 436 T CB 1.528 70.438 68.868 0.070 0.000 1.068 436 T HN 0.954 nan 8.240 nan 0.000 0.481 437 Y N -0.492 119.805 120.300 -0.005 0.000 2.485 437 Y HA 0.643 5.192 4.550 -0.001 0.000 0.345 437 Y C -0.713 175.146 175.900 -0.069 0.000 0.998 437 Y CA -1.829 56.253 58.100 -0.030 0.000 1.059 437 Y CB 1.353 39.789 38.460 -0.040 0.000 1.234 437 Y HN 0.689 nan 8.280 nan 0.000 0.461 438 D N 3.418 123.607 120.400 -0.353 0.000 2.336 438 D HA 0.198 4.838 4.640 -0.001 0.000 0.249 438 D C 1.151 177.029 176.300 -0.703 0.000 1.213 438 D CA 0.668 54.418 54.000 -0.417 0.000 0.870 438 D CB 1.690 42.408 40.800 -0.136 0.000 1.076 438 D HN 0.967 nan 8.370 nan 0.000 0.483 439 A N 4.341 126.598 122.820 -0.939 0.000 2.023 439 A HA -0.237 4.082 4.320 -0.001 0.000 0.223 439 A C 0.978 178.441 177.584 -0.201 0.000 1.180 439 A CA 1.739 53.328 52.037 -0.748 0.000 0.659 439 A CB -0.051 18.712 19.000 -0.395 0.000 0.817 439 A HN 0.655 nan 8.150 nan 0.000 0.466 440 D N -1.662 118.706 120.400 -0.053 0.000 2.336 440 D HA 0.448 5.087 4.640 -0.001 0.000 0.248 440 D C -0.955 175.409 176.300 0.106 0.000 1.326 440 D CA 0.268 54.349 54.000 0.136 0.000 0.973 440 D CB 0.760 41.596 40.800 0.061 0.000 1.255 440 D HN 0.041 nan 8.370 nan 0.000 0.558 441 T N 2.868 117.541 114.554 0.200 0.000 3.446 441 T HA 0.510 4.859 4.350 -0.001 0.000 0.289 441 T C -0.123 174.574 174.700 -0.005 0.000 1.203 441 T CA -0.724 61.428 62.100 0.086 0.000 1.645 441 T CB -0.592 68.334 68.868 0.097 0.000 0.841 441 T HN 0.460 nan 8.240 nan 0.000 0.617 455 V N 0.800 120.730 119.914 0.028 0.000 2.555 455 V HA 0.777 4.897 4.120 -0.001 0.000 0.302 455 V C 0.082 176.228 176.094 0.087 0.000 1.038 455 V CA -0.635 61.703 62.300 0.064 0.000 0.887 455 V CB 1.319 33.182 31.823 0.068 0.000 0.991 455 V HN 1.015 nan 8.190 nan 0.000 0.434 456 I N 0.858 121.507 120.570 0.131 0.000 2.769 456 I HA 0.728 4.897 4.170 -0.001 0.000 0.298 456 I C -0.210 176.061 176.117 0.258 0.000 1.128 456 I CA -0.857 60.536 61.300 0.155 0.000 1.031 456 I CB 2.225 40.269 38.000 0.073 0.000 1.235 456 I HN 0.892 nan 8.210 nan 0.000 0.423 457 H N 3.655 122.809 119.070 0.140 0.000 2.603 457 H HA 0.675 5.230 4.556 -0.001 0.000 0.370 457 H C -1.037 174.413 175.328 0.204 0.000 1.225 457 H CA -0.459 55.646 56.048 0.096 0.000 1.410 457 H CB 0.968 30.690 29.762 -0.067 0.000 1.495 457 H HN 0.826 nan 8.280 nan 0.000 0.602 458 W N -1.068 120.250 121.300 0.031 0.000 2.959 458 W HA 0.570 5.229 4.660 -0.002 0.000 0.358 458 W C -2.491 174.038 176.519 0.018 0.000 1.228 458 W CA -1.181 56.154 57.345 -0.016 0.000 1.183 458 W CB 0.579 30.035 29.460 -0.006 0.000 1.467 458 W HN 0.596 nan 8.180 nan 0.000 0.578 459 V N 1.986 122.010 119.914 0.184 0.000 2.655 459 V HA 0.180 4.300 4.120 -0.001 0.000 0.301 459 V C 0.106 176.353 176.094 0.255 0.000 1.082 459 V CA -0.586 61.740 62.300 0.044 0.000 0.899 459 V CB 1.523 33.376 31.823 0.050 0.000 1.014 459 V HN 0.619 nan 8.190 nan 0.000 0.429 460 S N 4.237 120.078 115.700 0.235 0.000 2.506 460 S HA 0.269 4.738 4.470 -0.001 0.000 0.291 460 S C 1.569 176.178 174.600 0.015 0.000 1.230 460 S CA 0.266 58.532 58.200 0.110 0.000 1.107 460 S CB 0.995 64.318 63.200 0.204 0.000 0.942 460 S HN 1.223 nan 8.310 nan 0.000 0.502 461 A N 5.709 128.353 122.820 -0.294 0.000 1.948 461 A HA -0.045 4.274 4.320 -0.001 0.000 0.220 461 A C 2.428 179.900 177.584 -0.186 0.000 1.177 461 A CA 2.096 53.890 52.037 -0.405 0.000 0.636 461 A CB -1.362 17.032 19.000 -1.009 0.000 0.815 461 A HN 1.294 nan 8.150 nan 0.000 0.449 462 A N -0.793 121.894 122.820 -0.223 0.000 1.898 462 A HA -0.112 4.208 4.320 -0.001 0.000 0.216 462 A C 1.802 179.186 177.584 -0.334 0.000 1.181 462 A CA 1.772 53.615 52.037 -0.323 0.000 0.620 462 A CB -0.712 17.987 19.000 -0.501 0.000 0.819 462 A HN 0.706 nan 8.150 nan 0.000 0.442 463 H N -0.665 118.378 119.070 -0.045 0.000 2.551 463 H HA 0.593 5.149 4.556 -0.000 0.000 0.271 463 H C 0.910 176.236 175.328 -0.003 0.000 0.984 463 H CA -0.165 55.873 56.048 -0.017 0.000 1.164 463 H CB -0.278 29.477 29.762 -0.012 0.000 1.437 463 H HN 0.509 nan 8.280 nan 0.000 0.550 464 A N 1.386 124.274 122.820 0.112 0.000 2.520 464 A HA 0.246 4.565 4.320 -0.001 0.000 0.235 464 A C -0.065 177.602 177.584 0.138 0.000 1.065 464 A CA -0.256 51.853 52.037 0.120 0.000 0.764 464 A CB -0.098 18.978 19.000 0.126 0.000 1.002 464 A HN 0.356 nan 8.150 nan 0.000 0.502 465 L N 4.044 125.339 121.223 0.121 0.000 2.287 465 L HA 0.605 4.945 4.340 -0.001 0.000 0.287 465 L C -2.620 174.320 176.870 0.115 0.000 1.022 465 L CA -2.003 52.893 54.840 0.093 0.000 0.814 465 L CB 1.515 43.584 42.059 0.017 0.000 1.217 465 L HN 0.292 nan 8.230 nan 0.000 0.420 466 P HA 0.246 nan 4.420 nan 0.000 0.276 466 P C -1.268 175.965 177.300 -0.111 0.000 1.243 466 P CA 0.039 63.109 63.100 -0.050 0.000 0.768 466 P CB 1.127 32.841 31.700 0.023 0.000 0.856 467 V N 3.306 123.076 119.914 -0.240 0.000 2.709 467 V HA 0.279 4.398 4.120 -0.001 0.000 0.308 467 V C 0.016 176.042 176.094 -0.114 0.000 1.062 467 V CA -0.755 61.487 62.300 -0.097 0.000 0.901 467 V CB 2.141 33.893 31.823 -0.118 0.000 1.003 467 V HN 0.455 nan 8.190 nan 0.000 0.425 468 E N 4.281 124.490 120.200 0.015 0.000 2.259 468 E HA 0.537 4.887 4.350 -0.001 0.000 0.281 468 E C -1.233 175.423 176.600 0.092 0.000 1.027 468 E CA -0.372 56.025 56.400 -0.005 0.000 0.838 468 E CB 1.022 30.724 29.700 0.004 0.000 1.066 468 E HN 0.591 nan 8.360 nan 0.000 0.401 469 I N 4.731 125.326 120.570 0.041 0.000 2.404 469 I HA 0.366 4.536 4.170 -0.001 0.000 0.293 469 I C -0.064 176.097 176.117 0.073 0.000 0.992 469 I CA -0.861 60.521 61.300 0.137 0.000 1.149 469 I CB 1.684 39.746 38.000 0.102 0.000 1.315 469 I HN 0.438 nan 8.210 nan 0.000 0.446 470 R N 6.978 127.535 120.500 0.096 0.000 2.275 470 R HA 0.517 4.856 4.340 -0.001 0.000 0.326 470 R C -1.256 174.879 176.300 -0.275 0.000 0.973 470 R CA -0.734 55.266 56.100 -0.166 0.000 0.854 470 R CB 1.208 31.383 30.300 -0.208 0.000 1.156 470 R HN 0.503 nan 8.270 nan 0.000 0.487 471 L N 4.556 125.618 121.223 -0.268 0.000 2.261 471 L HA 0.354 4.694 4.340 -0.001 0.000 0.289 471 L C -0.439 176.237 176.870 -0.325 0.000 1.059 471 L CA -0.594 54.140 54.840 -0.176 0.000 0.816 471 L CB -0.098 41.928 42.059 -0.056 0.000 1.191 471 L HN 0.398 nan 8.230 nan 0.000 0.431 472 Y N 1.600 121.890 120.300 -0.016 0.000 2.354 472 Y HA 0.502 5.052 4.550 -0.001 0.000 0.322 472 Y C 0.304 176.185 175.900 -0.032 0.000 1.253 472 Y CA -0.230 57.857 58.100 -0.021 0.000 1.272 472 Y CB 1.294 39.744 38.460 -0.017 0.000 1.255 472 Y HN 0.517 nan 8.280 nan 0.000 0.500 473 D N -0.996 119.485 120.400 0.135 0.000 2.677 473 D HA 0.253 4.892 4.640 -0.001 0.000 0.298 473 D C -1.361 174.956 176.300 0.027 0.000 1.250 473 D CA -0.982 53.043 54.000 0.042 0.000 0.888 473 D CB 1.094 41.890 40.800 -0.006 0.000 1.397 473 D HN 0.518 nan 8.370 nan 0.000 0.461 474 R N 1.082 121.567 120.500 -0.026 0.000 2.537 474 R HA 0.115 4.454 4.340 -0.001 0.000 0.281 474 R C 1.067 177.362 176.300 -0.008 0.000 0.988 474 R CA -0.220 55.872 56.100 -0.013 0.000 1.077 474 R CB 0.327 30.559 30.300 -0.114 0.000 0.932 474 R HN 0.478 nan 8.270 nan 0.000 0.409 475 L N 1.659 122.867 121.223 -0.025 0.000 2.017 475 L HA -0.044 4.295 4.340 -0.001 0.000 0.208 475 L C 0.281 176.905 176.870 -0.410 0.000 1.073 475 L CA 1.429 56.112 54.840 -0.262 0.000 0.745 475 L CB 0.053 41.877 42.059 -0.391 0.000 0.894 475 L HN 0.550 nan 8.230 nan 0.000 0.432 476 F N -2.322 117.717 119.950 0.149 0.000 2.470 476 F HA 0.220 4.747 4.527 -0.001 0.000 0.329 476 F C 1.443 177.388 175.800 0.241 0.000 1.072 476 F CA -0.607 57.492 58.000 0.166 0.000 0.989 476 F CB 1.478 40.572 39.000 0.157 0.000 1.193 476 F HN -0.309 nan 8.300 nan 0.000 0.481 477 S N 0.034 115.952 115.700 0.363 0.000 2.489 477 S HA 0.054 4.523 4.470 -0.001 0.000 0.228 477 S C 0.291 175.113 174.600 0.369 0.000 0.995 477 S CA 0.241 58.614 58.200 0.289 0.000 0.934 477 S CB -0.208 63.094 63.200 0.171 0.000 0.771 477 S HN 0.410 nan 8.310 nan 0.000 0.522 478 V N -1.698 118.390 119.914 0.290 0.000 2.715 478 V HA 0.511 4.630 4.120 -0.001 0.000 0.310 478 V C -2.584 173.271 176.094 -0.398 0.000 1.054 478 V CA -2.363 59.960 62.300 0.039 0.000 0.928 478 V CB 1.598 33.422 31.823 0.002 0.000 1.007 478 V HN -0.175 nan 8.190 nan 0.000 0.437 479 P HA -0.069 nan 4.420 nan 0.000 0.218 479 P C 0.329 177.343 177.300 -0.478 0.000 1.148 479 P CA 1.603 64.105 63.100 -0.996 0.000 0.822 479 P CB 0.105 31.485 31.700 -0.533 0.000 0.784 480 N N -1.545 116.974 118.700 -0.301 0.000 2.791 480 N HA 0.124 4.863 4.740 -0.001 0.000 0.265 480 N C -1.874 173.508 175.510 -0.213 0.000 1.580 480 N CA -2.252 50.666 53.050 -0.220 0.000 0.809 480 N CB 0.258 38.649 38.487 -0.161 0.000 1.178 480 N HN -0.065 nan 8.380 nan 0.000 0.499 481 P HA -0.023 nan 4.420 nan 0.000 0.220 481 P C 1.306 178.418 177.300 -0.313 0.000 1.148 481 P CA 0.779 63.668 63.100 -0.352 0.000 0.803 481 P CB 0.170 31.360 31.700 -0.849 0.000 0.782 482 G N 0.575 109.163 108.800 -0.352 0.000 2.448 482 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.219 482 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.219 482 G C 1.675 176.464 174.900 -0.185 0.000 1.127 482 G CA 0.722 45.627 45.100 -0.325 0.000 0.766 482 G HN 0.394 nan 8.290 nan 0.000 0.552 483 A N 0.092 122.825 122.820 -0.145 0.000 2.169 483 A HA 0.680 4.999 4.320 -0.001 0.000 0.212 483 A C 1.615 179.166 177.584 -0.056 0.000 1.153 483 A CA 0.908 52.889 52.037 -0.093 0.000 0.756 483 A CB -0.230 18.716 19.000 -0.089 0.000 0.813 483 A HN 0.675 nan 8.150 nan 0.000 0.471 484 A N 0.106 122.900 122.820 -0.043 0.000 2.386 484 A HA 0.342 4.662 4.320 -0.001 0.000 0.248 484 A C 0.749 178.350 177.584 0.028 0.000 1.082 484 A CA 0.047 52.083 52.037 -0.003 0.000 0.789 484 A CB 0.261 19.270 19.000 0.014 0.000 1.025 484 A HN 0.388 nan 8.150 nan 0.000 0.490 485 D N -0.020 120.394 120.400 0.023 0.000 2.097 485 D HA -0.109 4.531 4.640 -0.001 0.000 0.195 485 D C -0.220 176.112 176.300 0.054 0.000 0.989 485 D CA 1.575 55.592 54.000 0.029 0.000 0.827 485 D CB 0.191 40.999 40.800 0.013 0.000 0.966 485 D HN 0.596 nan 8.370 nan 0.000 0.456 486 D N -0.326 120.097 120.400 0.038 0.000 2.438 486 D HA 0.048 4.688 4.640 -0.001 0.000 0.257 486 D C 0.903 177.200 176.300 -0.005 0.000 1.148 486 D CA -0.668 53.336 54.000 0.006 0.000 0.902 486 D CB 0.179 40.955 40.800 -0.040 0.000 1.062 486 D HN -0.072 nan 8.370 nan 0.000 0.518 487 F N 2.293 122.223 119.950 -0.034 0.000 2.236 487 F HA -0.097 4.430 4.527 -0.001 0.000 0.302 487 F C 1.196 177.051 175.800 0.092 0.000 1.073 487 F CA 0.745 58.706 58.000 -0.066 0.000 1.336 487 F CB -0.637 38.239 39.000 -0.207 0.000 1.040 487 F HN 0.253 nan 8.300 nan 0.000 0.507 488 L N 0.853 121.718 121.223 -0.598 0.000 2.156 488 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 488 L C 2.719 179.474 176.870 -0.192 0.000 1.095 488 L CA 1.221 55.809 54.840 -0.419 0.000 0.770 488 L CB -0.891 40.845 42.059 -0.540 0.000 0.914 488 L HN 0.440 nan 8.230 nan 0.000 0.439 489 S N -1.453 114.168 115.700 -0.132 0.000 2.515 489 S HA -0.065 4.404 4.470 -0.001 0.000 0.231 489 S C 1.389 175.983 174.600 -0.011 0.000 0.987 489 S CA 0.310 58.463 58.200 -0.078 0.000 0.936 489 S CB -0.005 63.161 63.200 -0.056 0.000 0.766 489 S HN 0.203 nan 8.310 nan 0.000 0.528 490 V N 1.551 121.503 119.914 0.064 0.000 3.249 490 V HA 0.442 4.562 4.120 -0.001 0.000 0.338 490 V C 0.035 176.284 176.094 0.259 0.000 1.363 490 V CA -0.571 61.815 62.300 0.144 0.000 1.205 490 V CB -0.597 31.311 31.823 0.140 0.000 1.164 490 V HN 0.458 nan 8.190 nan 0.000 0.458 491 I N 1.581 122.233 120.570 0.137 0.000 2.779 491 I HA 0.148 4.318 4.170 -0.001 0.000 0.285 491 I C 0.573 176.666 176.117 -0.040 0.000 1.134 491 I CA 0.062 61.344 61.300 -0.029 0.000 1.398 491 I CB 0.571 38.455 38.000 -0.193 0.000 1.404 491 I HN 0.220 nan 8.210 nan 0.000 0.587 492 N N 7.381 126.027 118.700 -0.089 0.000 2.408 492 N HA 0.187 4.926 4.740 -0.001 0.000 0.257 492 N C -1.731 173.740 175.510 -0.064 0.000 1.064 492 N CA -2.210 50.816 53.050 -0.041 0.000 0.952 492 N CB 1.102 39.572 38.487 -0.028 0.000 1.093 492 N HN 0.271 nan 8.380 nan 0.000 0.490 493 P HA -0.014 nan 4.420 nan 0.000 0.242 493 P C -0.363 176.912 177.300 -0.041 0.000 1.197 493 P CA 0.952 64.025 63.100 -0.046 0.000 0.765 493 P CB 0.438 32.116 31.700 -0.036 0.000 0.936 494 E N -0.369 119.808 120.200 -0.037 0.000 2.789 494 E HA 0.081 4.431 4.350 -0.001 0.000 0.208 494 E C 1.250 177.827 176.600 -0.038 0.000 0.988 494 E CA 0.017 56.394 56.400 -0.038 0.000 1.092 494 E CB 0.389 30.071 29.700 -0.030 0.000 1.066 494 E HN 0.247 nan 8.360 nan 0.000 0.465 495 S N 0.312 115.990 115.700 -0.037 0.000 2.447 495 S HA -0.069 4.400 4.470 -0.001 0.000 0.233 495 S C 0.710 175.321 174.600 0.018 0.000 1.006 495 S CA 0.261 58.453 58.200 -0.013 0.000 0.957 495 S CB 0.052 63.228 63.200 -0.041 0.000 0.773 495 S HN 0.206 nan 8.310 nan 0.000 0.507 496 L N 0.924 122.124 121.223 -0.038 0.000 2.439 496 L HA 0.757 5.096 4.340 -0.001 0.000 0.270 496 L C -1.264 175.523 176.870 -0.139 0.000 0.972 496 L CA -0.883 53.875 54.840 -0.137 0.000 0.836 496 L CB 2.229 44.246 42.059 -0.070 0.000 1.255 496 L HN 0.027 nan 8.230 nan 0.000 0.404 497 V N 6.881 126.686 119.914 -0.182 0.000 2.482 497 V HA 0.598 4.717 4.120 -0.001 0.000 0.295 497 V C -0.568 175.441 176.094 -0.143 0.000 1.026 497 V CA -0.333 61.894 62.300 -0.123 0.000 0.856 497 V CB 1.520 33.294 31.823 -0.081 0.000 1.001 497 V HN 0.729 nan 8.190 nan 0.000 0.424 498 I N 7.451 127.948 120.570 -0.120 0.000 2.428 498 I HA 0.553 4.723 4.170 -0.001 0.000 0.289 498 I C 0.125 176.191 176.117 -0.085 0.000 1.019 498 I CA -0.419 60.814 61.300 -0.111 0.000 1.351 498 I CB 1.215 39.151 38.000 -0.107 0.000 1.412 498 I HN 0.460 nan 8.210 nan 0.000 0.513 499 K N 4.679 125.032 120.400 -0.077 0.000 2.400 499 K HA 0.513 4.833 4.320 -0.001 0.000 0.246 499 K C -1.040 175.484 176.600 -0.126 0.000 0.995 499 K CA -0.925 55.309 56.287 -0.088 0.000 0.840 499 K CB 1.986 34.445 32.500 -0.067 0.000 1.293 499 K HN 0.348 nan 8.250 nan 0.000 0.445 500 Q N 0.699 120.387 119.800 -0.187 0.000 2.347 500 Q HA 0.494 4.834 4.340 -0.001 0.000 0.265 500 Q C -0.098 175.622 176.000 -0.466 0.000 1.024 500 Q CA -0.473 55.155 55.803 -0.292 0.000 0.731 500 Q CB 1.853 30.430 28.738 -0.268 0.000 1.245 500 Q HN 0.882 nan 8.270 nan 0.000 0.472 501 G N 0.802 109.269 108.800 -0.554 0.000 3.217 501 G HA2 0.810 4.770 3.960 -0.001 0.000 0.213 501 G HA3 0.810 4.770 3.960 -0.001 0.000 0.213 501 G C -1.276 172.929 174.900 -1.157 0.000 1.294 501 G CA -0.403 44.268 45.100 -0.716 0.000 0.987 501 G HN 0.279 nan 8.290 nan 0.000 0.584 502 F N -0.174 119.535 119.950 -0.402 0.000 2.561 502 F HA 0.723 5.250 4.527 -0.001 0.000 0.313 502 F C 0.421 175.993 175.800 -0.381 0.000 1.126 502 F CA -0.762 57.007 58.000 -0.385 0.000 0.918 502 F CB 2.364 41.069 39.000 -0.493 0.000 1.199 502 F HN 0.643 nan 8.300 nan 0.000 0.444 503 A N 1.756 124.444 122.820 -0.220 0.000 2.350 503 A HA 0.707 5.027 4.320 -0.001 0.000 0.318 503 A C -0.683 176.734 177.584 -0.278 0.000 1.132 503 A CA -0.854 50.928 52.037 -0.424 0.000 0.811 503 A CB 0.846 19.438 19.000 -0.680 0.000 1.313 503 A HN 0.792 nan 8.150 nan 0.000 0.454 504 E N 1.953 121.937 120.200 -0.360 0.000 2.384 504 E HA 0.142 4.491 4.350 -0.001 0.000 0.266 504 E C -1.794 174.694 176.600 -0.186 0.000 1.012 504 E CA -1.164 55.078 56.400 -0.262 0.000 0.901 504 E CB 0.425 29.931 29.700 -0.324 0.000 0.967 504 E HN 0.377 nan 8.360 nan 0.000 0.435 505 P HA -0.341 nan 4.420 nan 0.000 0.218 505 P C 1.479 178.749 177.300 -0.051 0.000 1.147 505 P CA 1.659 64.738 63.100 -0.036 0.000 0.827 505 P CB 0.143 31.854 31.700 0.018 0.000 0.778 506 S N -0.011 115.636 115.700 -0.089 0.000 2.372 506 S HA -0.167 4.303 4.470 -0.001 0.000 0.227 506 S C 1.882 176.438 174.600 -0.073 0.000 1.044 506 S CA 1.210 59.364 58.200 -0.076 0.000 1.050 506 S CB -0.932 62.200 63.200 -0.112 0.000 0.901 506 S HN -0.034 nan 8.310 nan 0.000 0.447 507 L N 1.723 122.853 121.223 -0.154 0.000 2.651 507 L HA -0.001 4.339 4.340 -0.001 0.000 0.236 507 L C 2.220 179.127 176.870 0.062 0.000 1.173 507 L CA 1.401 56.175 54.840 -0.111 0.000 0.843 507 L CB -1.619 40.298 42.059 -0.237 0.000 0.964 507 L HN 0.447 nan 8.230 nan 0.000 0.454 508 K N 0.571 120.994 120.400 0.039 0.000 2.281 508 K HA -0.165 4.155 4.320 -0.001 0.000 0.203 508 K C 0.891 177.546 176.600 0.092 0.000 1.046 508 K CA 1.341 57.670 56.287 0.071 0.000 0.938 508 K CB 0.010 32.539 32.500 0.049 0.000 0.737 508 K HN 0.209 nan 8.250 nan 0.000 0.458 509 D N 0.159 120.619 120.400 0.101 0.000 2.559 509 D HA 0.178 4.817 4.640 -0.001 0.000 0.234 509 D C -0.755 175.652 176.300 0.179 0.000 1.226 509 D CA 0.046 54.117 54.000 0.118 0.000 0.830 509 D CB 0.494 41.354 40.800 0.100 0.000 1.028 509 D HN 0.273 nan 8.370 nan 0.000 0.492 510 A N 0.870 123.829 122.820 0.231 0.000 2.511 510 A HA 0.293 4.613 4.320 -0.001 0.000 0.242 510 A C 0.698 178.427 177.584 0.242 0.000 1.069 510 A CA -0.229 52.035 52.037 0.379 0.000 0.763 510 A CB 0.334 19.610 19.000 0.460 0.000 1.001 510 A HN 0.090 nan 8.150 nan 0.000 0.498 511 V N 0.994 121.050 119.914 0.236 0.000 2.465 511 V HA 0.656 4.775 4.120 -0.001 0.000 0.279 511 V C 0.797 176.931 176.094 0.068 0.000 1.045 511 V CA -0.700 61.667 62.300 0.112 0.000 0.938 511 V CB 0.266 32.136 31.823 0.079 0.000 0.986 511 V HN 1.421 nan 8.190 nan 0.000 0.467 512 A N 3.887 126.722 122.820 0.025 0.000 2.567 512 A HA 0.490 4.810 4.320 -0.001 0.000 0.240 512 A C 1.661 179.242 177.584 -0.005 0.000 1.053 512 A CA 0.813 52.844 52.037 -0.010 0.000 0.755 512 A CB -0.733 18.255 19.000 -0.021 0.000 0.978 512 A HN 2.653 nan 8.150 nan 0.000 0.507 513 G N 1.469 110.260 108.800 -0.015 0.000 2.383 513 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.229 513 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.229 513 G C 0.622 175.520 174.900 -0.004 0.000 1.089 513 G CA 0.642 45.738 45.100 -0.007 0.000 0.640 513 G HN 1.046 nan 8.290 nan 0.000 0.510 514 K N 1.775 122.161 120.400 -0.023 0.000 2.350 514 K HA 0.590 4.909 4.320 -0.001 0.000 0.279 514 K C 0.323 176.821 176.600 -0.170 0.000 1.027 514 K CA 0.346 56.567 56.287 -0.110 0.000 0.969 514 K CB 0.594 32.995 32.500 -0.165 0.000 0.954 514 K HN 0.724 nan 8.250 nan 0.000 0.474 515 A N 3.929 126.614 122.820 -0.224 0.000 2.320 515 A HA 0.726 5.045 4.320 -0.001 0.000 0.334 515 A C -1.261 176.146 177.584 -0.295 0.000 1.147 515 A CA -0.742 51.216 52.037 -0.131 0.000 0.820 515 A CB 0.480 19.466 19.000 -0.022 0.000 1.218 515 A HN 0.609 nan 8.150 nan 0.000 0.482 516 F N -0.597 119.468 119.950 0.191 0.000 2.631 516 F HA 0.528 5.055 4.527 -0.001 0.000 0.328 516 F C 0.372 176.318 175.800 0.245 0.000 1.067 516 F CA -0.570 57.575 58.000 0.241 0.000 0.969 516 F CB 1.907 41.115 39.000 0.346 0.000 1.332 516 F HN 0.577 nan 8.300 nan 0.000 0.490 517 Q N 1.627 121.694 119.800 0.444 0.000 2.368 517 Q HA 0.331 4.671 4.340 -0.001 0.000 0.256 517 Q C -1.635 174.536 176.000 0.284 0.000 0.980 517 Q CA -0.554 55.353 55.803 0.174 0.000 0.887 517 Q CB 0.543 29.276 28.738 -0.008 0.000 1.221 517 Q HN 0.438 nan 8.270 nan 0.000 0.458 518 F N 3.050 123.007 119.950 0.013 0.000 2.434 518 F HA 0.153 4.679 4.527 -0.002 0.000 0.358 518 F C 0.775 176.419 175.800 -0.260 0.000 1.136 518 F CA -0.839 57.036 58.000 -0.209 0.000 1.157 518 F CB 0.184 38.891 39.000 -0.489 0.000 1.167 518 F HN 0.610 nan 8.300 nan 0.000 0.539 519 E N 3.737 123.869 120.200 -0.112 0.000 2.708 519 E HA -0.103 4.247 4.350 -0.001 0.000 0.260 519 E C 0.585 176.984 176.600 -0.335 0.000 0.937 519 E CA 0.673 56.957 56.400 -0.193 0.000 0.953 519 E CB 0.236 29.839 29.700 -0.162 0.000 0.915 519 E HN 0.572 nan 8.360 nan 0.000 0.487 520 R N 2.140 122.520 120.500 -0.200 0.000 3.875 520 R HA -0.242 4.097 4.340 -0.001 0.000 0.321 520 R C 0.025 176.244 176.300 -0.136 0.000 1.196 520 R CA 1.069 57.080 56.100 -0.149 0.000 0.868 520 R CB -1.164 29.093 30.300 -0.073 0.000 1.333 520 R HN 0.599 nan 8.270 nan 0.000 0.522 521 E N -1.140 118.998 120.200 -0.104 0.000 3.441 521 E HA 0.317 4.667 4.350 -0.001 0.000 0.195 521 E C 1.032 177.700 176.600 0.114 0.000 1.172 521 E CA 1.204 57.639 56.400 0.059 0.000 1.457 521 E CB 0.704 30.477 29.700 0.121 0.000 1.388 521 E HN 0.373 nan 8.360 nan 0.000 0.551 522 G N -0.170 108.708 108.800 0.131 0.000 2.336 522 G HA2 0.282 4.242 3.960 -0.001 0.000 0.286 522 G HA3 0.282 4.242 3.960 -0.001 0.000 0.286 522 G C -1.931 172.801 174.900 -0.281 0.000 1.269 522 G CA -0.897 44.105 45.100 -0.164 0.000 0.873 522 G HN -0.006 nan 8.290 nan 0.000 0.494 523 Y N -0.089 120.116 120.300 -0.158 0.000 2.328 523 Y HA 0.762 5.312 4.550 -0.002 0.000 0.337 523 Y C -0.277 175.392 175.900 -0.385 0.000 1.008 523 Y CA -0.467 57.555 58.100 -0.129 0.000 1.129 523 Y CB 1.488 39.862 38.460 -0.144 0.000 1.185 523 Y HN 0.371 nan 8.280 nan 0.000 0.476 524 F N 1.919 121.719 119.950 -0.252 0.000 2.577 524 F HA 0.726 5.252 4.527 -0.001 0.000 0.318 524 F C -0.189 175.624 175.800 0.022 0.000 1.065 524 F CA -1.420 56.421 58.000 -0.266 0.000 0.929 524 F CB 1.634 40.109 39.000 -0.875 0.000 1.237 524 F HN 0.582 nan 8.300 nan 0.000 0.468 525 C N 1.693 121.160 119.300 0.278 0.000 2.994 525 C HA 0.843 5.302 4.460 -0.001 0.000 0.305 525 C C -0.441 174.561 174.990 0.021 0.000 1.251 525 C CA -0.930 58.203 59.018 0.191 0.000 1.478 525 C CB 0.638 28.419 27.740 0.069 0.000 1.922 525 C HN 0.956 nan 8.230 nan 0.000 0.472 526 L N 1.876 123.008 121.223 -0.150 0.000 2.671 526 L HA 0.536 4.876 4.340 -0.001 0.000 0.188 526 L C 1.242 178.015 176.870 -0.162 0.000 1.165 526 L CA 2.255 56.859 54.840 -0.393 0.000 0.926 526 L CB 0.077 41.913 42.059 -0.373 0.000 1.664 526 L HN 1.211 nan 8.230 nan 0.000 0.512 527 D N -1.960 118.354 120.400 -0.143 0.000 4.600 527 D HA -0.316 4.324 4.640 -0.001 0.000 0.165 527 D C 0.691 176.966 176.300 -0.042 0.000 0.731 527 D CA 2.488 56.442 54.000 -0.075 0.000 1.594 527 D CB -1.438 39.321 40.800 -0.068 0.000 0.978 527 D HN 0.927 nan 8.370 nan 0.000 0.494 528 S N -1.378 114.301 115.700 -0.035 0.000 3.270 528 S HA -0.380 4.089 4.470 -0.001 0.000 0.293 528 S C 0.980 175.424 174.600 -0.260 0.000 1.278 528 S CA 2.425 60.624 58.200 -0.000 0.000 1.038 528 S CB -1.499 61.832 63.200 0.218 0.000 1.218 528 S HN 1.071 nan 8.310 nan 0.000 0.659 529 R N -0.475 119.874 120.500 -0.251 0.000 3.989 529 R HA -0.224 4.115 4.340 -0.001 0.000 0.377 529 R C 0.397 176.435 176.300 -0.437 0.000 1.158 529 R CA 2.072 57.968 56.100 -0.341 0.000 1.035 529 R CB -2.094 27.967 30.300 -0.399 0.000 1.557 529 R HN 0.820 nan 8.270 nan 0.000 0.551 530 H N -2.125 116.947 119.070 0.004 0.000 2.735 530 H HA 0.278 4.834 4.556 -0.001 0.000 0.250 530 H C 0.228 175.557 175.328 0.002 0.000 0.948 530 H CA 0.579 56.632 56.048 0.008 0.000 1.137 530 H CB -0.016 29.757 29.762 0.019 0.000 1.440 530 H HN 0.290 nan 8.280 nan 0.000 0.444 531 S N 2.783 118.544 115.700 0.102 0.000 2.596 531 S HA 0.117 4.587 4.470 -0.001 0.000 0.298 531 S C 0.909 175.532 174.600 0.038 0.000 1.255 531 S CA 0.080 58.308 58.200 0.048 0.000 1.083 531 S CB 0.400 63.584 63.200 -0.026 0.000 0.837 531 S HN 0.468 nan 8.310 nan 0.000 0.499 532 T N -0.690 113.892 114.554 0.046 0.000 2.870 532 T HA 0.767 5.116 4.350 -0.001 0.000 0.277 532 T C 1.295 176.019 174.700 0.041 0.000 1.000 532 T CA -0.547 61.577 62.100 0.040 0.000 0.982 532 T CB 1.005 69.897 68.868 0.040 0.000 1.249 532 T HN 0.661 nan 8.240 nan 0.000 0.589 533 A N 0.031 122.874 122.820 0.038 0.000 1.968 533 A HA 0.071 4.390 4.320 -0.001 0.000 0.217 533 A C 2.051 179.663 177.584 0.045 0.000 1.169 533 A CA 1.322 53.384 52.037 0.042 0.000 0.638 533 A CB -0.956 18.066 19.000 0.036 0.000 0.812 533 A HN 0.871 nan 8.150 nan 0.000 0.446 534 E N -0.468 119.756 120.200 0.040 0.000 2.033 534 E HA 0.044 4.394 4.350 -0.001 0.000 0.189 534 E C 0.812 177.437 176.600 0.041 0.000 0.979 534 E CA 1.121 57.544 56.400 0.038 0.000 0.802 534 E CB 0.046 29.764 29.700 0.030 0.000 0.763 534 E HN 0.321 nan 8.360 nan 0.000 0.449 535 K N 1.085 121.509 120.400 0.040 0.000 2.464 535 K HA 0.303 4.622 4.320 -0.001 0.000 0.252 535 K C -2.848 173.790 176.600 0.063 0.000 1.000 535 K CA -2.792 53.519 56.287 0.041 0.000 0.951 535 K CB 1.302 33.815 32.500 0.021 0.000 1.183 535 K HN -0.160 nan 8.250 nan 0.000 0.445 536 P HA 0.140 nan 4.420 nan 0.000 0.279 536 P C -1.071 176.327 177.300 0.163 0.000 1.239 536 P CA -0.567 62.612 63.100 0.131 0.000 0.789 536 P CB 1.154 33.016 31.700 0.271 0.000 0.933 537 V N 4.592 124.553 119.914 0.078 0.000 2.409 537 V HA 0.392 4.511 4.120 -0.001 0.000 0.291 537 V C -0.468 175.646 176.094 0.032 0.000 1.020 537 V CA -0.301 62.074 62.300 0.124 0.000 0.848 537 V CB 0.591 32.494 31.823 0.134 0.000 0.990 537 V HN 0.377 nan 8.190 nan 0.000 0.430 538 F N 3.261 123.314 119.950 0.172 0.000 2.444 538 F HA 0.517 5.043 4.527 -0.001 0.000 0.342 538 F C 0.561 176.542 175.800 0.303 0.000 1.121 538 F CA -0.585 57.566 58.000 0.252 0.000 0.997 538 F CB 1.554 40.739 39.000 0.308 0.000 1.130 538 F HN 0.383 nan 8.300 nan 0.000 0.454 539 N N 3.015 121.946 118.700 0.386 0.000 2.426 539 N HA 0.209 4.948 4.740 -0.001 0.000 0.275 539 N C -0.388 175.258 175.510 0.226 0.000 1.019 539 N CA -0.532 52.752 53.050 0.390 0.000 0.941 539 N CB 1.492 40.160 38.487 0.301 0.000 1.123 539 N HN 0.541 nan 8.380 nan 0.000 0.486 540 R N 1.707 122.249 120.500 0.070 0.000 2.288 540 R HA 0.119 4.458 4.340 -0.001 0.000 0.330 540 R C 0.507 176.671 176.300 -0.228 0.000 1.069 540 R CA 0.043 55.772 56.100 -0.619 0.000 0.941 540 R CB 0.292 30.184 30.300 -0.679 0.000 0.998 540 R HN 0.500 nan 8.270 nan 0.000 0.452 541 T N 2.134 116.524 114.554 -0.273 0.000 2.770 541 T HA -0.036 4.313 4.350 -0.001 0.000 0.263 541 T C 0.405 175.044 174.700 -0.101 0.000 1.039 541 T CA 0.905 62.928 62.100 -0.128 0.000 1.142 541 T CB 0.118 68.879 68.868 -0.178 0.000 0.868 541 T HN 0.393 nan 8.240 nan 0.000 0.435 542 V N -0.326 119.501 119.914 -0.144 0.000 3.098 542 V HA 0.650 4.770 4.120 -0.001 0.000 0.294 542 V C -0.711 175.332 176.094 -0.085 0.000 1.351 542 V CA -0.693 61.571 62.300 -0.060 0.000 0.999 542 V CB 1.763 33.574 31.823 -0.020 0.000 1.104 542 V HN 0.424 nan 8.190 nan 0.000 0.438 543 G N 3.581 112.346 108.800 -0.059 0.000 2.528 543 G HA2 0.570 4.529 3.960 -0.001 0.000 0.289 543 G HA3 0.570 4.529 3.960 -0.001 0.000 0.289 543 G C -0.672 174.215 174.900 -0.022 0.000 1.192 543 G CA -0.586 44.477 45.100 -0.060 0.000 0.921 543 G HN 0.654 nan 8.290 nan 0.000 0.512 544 L N -0.368 120.823 121.223 -0.053 0.000 2.475 544 L HA 0.318 4.657 4.340 -0.001 0.000 0.250 544 L C 1.396 178.275 176.870 0.014 0.000 1.224 544 L CA -0.315 54.504 54.840 -0.035 0.000 0.821 544 L CB 0.541 42.552 42.059 -0.079 0.000 1.141 544 L HN 0.598 nan 8.230 nan 0.000 0.494 545 R N 1.308 121.828 120.500 0.032 0.000 2.288 545 R HA 0.111 4.450 4.340 -0.001 0.000 0.330 545 R C -1.068 175.248 176.300 0.027 0.000 1.069 545 R CA -0.288 55.833 56.100 0.037 0.000 0.941 545 R CB -0.099 30.229 30.300 0.046 0.000 0.998 545 R HN 0.543 nan 8.270 nan 0.000 0.452 546 D N 3.419 123.835 120.400 0.026 0.000 2.233 546 D HA 0.302 4.941 4.640 -0.001 0.000 0.240 546 D C -0.952 175.365 176.300 0.028 0.000 1.074 546 D CA -0.043 53.973 54.000 0.026 0.000 0.838 546 D CB 1.409 42.225 40.800 0.027 0.000 1.124 546 D HN 0.624 nan 8.370 nan 0.000 0.475 547 T N 0.000 114.571 114.554 0.028 0.000 3.816 547 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 547 T CA 0.000 62.117 62.100 0.029 0.000 1.349 547 T CB 0.000 68.885 68.868 0.029 0.000 0.612 547 T HN 0.000 nan 8.240 nan 0.000 0.658