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 1g8h_1_A DATA FIRST_RESID 2 DATA SEQUENCE PAPHGGILQD LIARDALKKN ELLSEAQSSD ILVWNLTPRQ LCDIELILNG DATA SEQUENCE GFSPLTGFLN ENDYSSVVTD SRLADGTLWT IPITLDVDEA FANQIKPDTR DATA SEQUENCE IALFQDDEIP IAILTVQDVY KPNKTIEAER VFRGDPEHPA ISYLFNVAGD DATA SEQUENCE YYVGGSLEAI QLPQHYDYPG LRKTPAQLRL EFQSRQWDRV VAFQTRNPMH DATA SEQUENCE RAHRELTVRA AREANAKVLI HPVVGLTKPG DIDHHTRVRV YQEIIKRYPN DATA SEQUENCE GIAFLSLLPL AMRMSGDREA VWHAIIRKNY GASHFIVGRD HAGPGKNSKG DATA SEQUENCE VDFYGPYDAQ ELVESYKHEL DIEVVPFRMV TYLPDEDRYA PIDQIDTTKT DATA SEQUENCE RTLNISGTEL RRRLRVGGEI PEWFSYPEVV KILRESNPPR PKQGFSIVLG DATA SEQUENCE NSLTVSREQL SIALLSTFLQ FGGGRYYKIF EHNNKTELLS LIQDFIGSGS DATA SEQUENCE GLIIPDQWED DKDSVVGKQN VYLLDTSSSA DIQLESADEP ISHIVQKVVL DATA SEQUENCE FLEDNGFFVF 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.332 177.300 0.054 0.000 1.155 2 P CA 0.000 63.131 63.100 0.052 0.000 0.800 2 P CB 0.000 31.728 31.700 0.047 0.000 0.726 3 A N 2.402 125.249 122.820 0.045 0.000 2.511 3 A HA 0.511 4.831 4.320 -0.000 0.000 0.242 3 A C -1.937 175.682 177.584 0.058 0.000 1.069 3 A CA -0.593 51.468 52.037 0.040 0.000 0.763 3 A CB -0.791 18.226 19.000 0.027 0.000 1.001 3 A HN 0.398 nan 8.150 nan 0.000 0.498 4 P HA -0.068 nan 4.420 nan 0.000 0.267 4 P C -0.318 177.056 177.300 0.123 0.000 1.200 4 P CA 0.278 63.426 63.100 0.080 0.000 0.772 4 P CB 0.210 31.934 31.700 0.041 0.000 0.855 5 H N 1.246 120.358 119.070 0.070 0.000 3.157 5 H HA 0.223 4.779 4.556 -0.000 0.000 0.299 5 H C 1.700 177.071 175.328 0.072 0.000 0.961 5 H CA 2.341 58.444 56.048 0.092 0.000 1.428 5 H CB -0.692 29.171 29.762 0.168 0.000 1.459 5 H HN 0.790 nan 8.280 nan 0.000 0.566 6 G N 2.473 111.151 108.800 -0.204 0.000 2.194 6 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.236 6 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.236 6 G C 1.254 176.111 174.900 -0.071 0.000 0.987 6 G CA 0.661 45.674 45.100 -0.146 0.000 0.635 6 G HN 1.704 nan 8.290 nan 0.000 0.520 7 G N -0.783 107.995 108.800 -0.037 0.000 2.299 7 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.237 7 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.237 7 G C 0.300 175.194 174.900 -0.011 0.000 1.027 7 G CA 0.577 45.665 45.100 -0.020 0.000 0.619 7 G HN 1.437 nan 8.290 nan 0.000 0.513 8 I N 1.294 121.857 120.570 -0.013 0.000 2.418 8 I HA 0.442 4.612 4.170 -0.000 0.000 0.287 8 I C -0.112 175.998 176.117 -0.012 0.000 1.008 8 I CA -1.087 60.204 61.300 -0.015 0.000 1.104 8 I CB 1.885 39.871 38.000 -0.023 0.000 1.264 8 I HN 0.113 nan 8.210 nan 0.000 0.438 9 L N 7.254 128.465 121.223 -0.020 0.000 2.500 9 L HA 0.093 4.433 4.340 -0.000 0.000 0.272 9 L C 0.582 177.427 176.870 -0.042 0.000 1.149 9 L CA 0.490 55.310 54.840 -0.033 0.000 0.897 9 L CB 0.129 42.154 42.059 -0.056 0.000 1.178 9 L HN 0.509 nan 8.230 nan 0.000 0.473 10 Q N 3.270 123.047 119.800 -0.038 0.000 3.179 10 Q HA 0.055 4.395 4.340 -0.000 0.000 0.328 10 Q C -0.495 175.468 176.000 -0.062 0.000 1.336 10 Q CA -0.014 55.762 55.803 -0.045 0.000 0.939 10 Q CB -0.456 28.259 28.738 -0.038 0.000 1.658 10 Q HN 0.592 nan 8.270 nan 0.000 0.486 11 D N 1.150 121.508 120.400 -0.070 0.000 2.455 11 D HA 0.009 4.649 4.640 -0.000 0.000 0.234 11 D C 0.873 177.134 176.300 -0.065 0.000 1.224 11 D CA -0.018 53.933 54.000 -0.081 0.000 0.999 11 D CB 0.143 40.891 40.800 -0.087 0.000 1.072 11 D HN 0.289 nan 8.370 nan 0.000 0.514 12 L N 3.245 124.430 121.223 -0.063 0.000 2.275 12 L HA -0.118 4.222 4.340 -0.000 0.000 0.215 12 L C 2.058 178.899 176.870 -0.049 0.000 1.119 12 L CA 0.162 54.971 54.840 -0.053 0.000 0.790 12 L CB -0.186 41.841 42.059 -0.053 0.000 0.919 12 L HN 0.455 nan 8.230 nan 0.000 0.443 13 I N 0.568 121.105 120.570 -0.055 0.000 2.252 13 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 13 I C 2.813 178.903 176.117 -0.046 0.000 1.102 13 I CA 1.545 62.815 61.300 -0.051 0.000 1.385 13 I CB -1.162 36.805 38.000 -0.055 0.000 1.064 13 I HN 0.197 nan 8.210 nan 0.000 0.414 14 A N 0.716 123.506 122.820 -0.050 0.000 1.855 14 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 14 A C 2.543 180.104 177.584 -0.038 0.000 1.191 14 A CA 1.492 53.502 52.037 -0.045 0.000 0.613 14 A CB -0.685 18.285 19.000 -0.050 0.000 0.829 14 A HN 0.294 nan 8.150 nan 0.000 0.442 15 R N -0.297 120.179 120.500 -0.039 0.000 2.096 15 R HA -0.194 4.146 4.340 -0.000 0.000 0.240 15 R C 0.491 176.774 176.300 -0.028 0.000 1.139 15 R CA 2.068 58.149 56.100 -0.033 0.000 0.952 15 R CB -0.335 29.945 30.300 -0.034 0.000 0.854 15 R HN 0.410 nan 8.270 nan 0.000 0.436 16 D N -0.135 120.248 120.400 -0.029 0.000 2.328 16 D HA 0.116 4.756 4.640 -0.000 0.000 0.221 16 D C 1.312 177.597 176.300 -0.024 0.000 1.072 16 D CA 0.600 54.586 54.000 -0.024 0.000 0.850 16 D CB 0.393 41.179 40.800 -0.024 0.000 0.922 16 D HN 0.325 nan 8.370 nan 0.000 0.516 17 A N 0.917 123.721 122.820 -0.027 0.000 1.894 17 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 17 A C 1.787 179.358 177.584 -0.021 0.000 1.237 17 A CA 1.290 53.312 52.037 -0.026 0.000 0.660 17 A CB -0.698 18.287 19.000 -0.027 0.000 0.835 17 A HN 0.247 nan 8.150 nan 0.000 0.461 18 L N -0.659 120.553 121.223 -0.018 0.000 2.549 18 L HA -0.021 4.319 4.340 -0.000 0.000 0.229 18 L C 1.807 178.670 176.870 -0.012 0.000 1.158 18 L CA 1.620 56.451 54.840 -0.015 0.000 0.842 18 L CB -0.623 41.429 42.059 -0.013 0.000 0.952 18 L HN 0.417 nan 8.230 nan 0.000 0.452 19 K N -1.292 119.100 120.400 -0.013 0.000 2.358 19 K HA -0.013 4.307 4.320 -0.000 0.000 0.197 19 K C 1.695 178.288 176.600 -0.012 0.000 1.025 19 K CA -0.193 56.088 56.287 -0.010 0.000 1.104 19 K CB 0.570 33.064 32.500 -0.009 0.000 0.855 19 K HN -0.063 nan 8.250 nan 0.000 0.531 20 K N 2.313 122.703 120.400 -0.017 0.000 2.015 20 K HA -0.193 4.127 4.320 -0.000 0.000 0.216 20 K C 1.253 177.843 176.600 -0.018 0.000 1.052 20 K CA 2.074 58.348 56.287 -0.021 0.000 0.937 20 K CB -0.265 32.221 32.500 -0.024 0.000 0.719 20 K HN 0.167 nan 8.250 nan 0.000 0.446 21 N N -0.481 118.211 118.700 -0.013 0.000 2.104 21 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 21 N C 1.553 177.060 175.510 -0.004 0.000 1.024 21 N CA 1.406 54.451 53.050 -0.009 0.000 0.853 21 N CB -0.100 38.384 38.487 -0.006 0.000 1.008 21 N HN 0.289 nan 8.380 nan 0.000 0.424 22 E N 1.106 121.305 120.200 -0.002 0.000 2.031 22 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 22 E C 2.009 178.614 176.600 0.007 0.000 0.994 22 E CA 0.754 57.156 56.400 0.004 0.000 0.800 22 E CB -0.329 29.373 29.700 0.004 0.000 0.752 22 E HN 0.298 nan 8.360 nan 0.000 0.447 23 L N 0.286 121.511 121.223 0.002 0.000 2.079 23 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 23 L C 2.460 179.331 176.870 0.002 0.000 1.081 23 L CA 0.815 55.658 54.840 0.005 0.000 0.752 23 L CB -0.369 41.688 42.059 -0.004 0.000 0.896 23 L HN 0.176 nan 8.230 nan 0.000 0.433 24 L N -0.985 120.232 121.223 -0.011 0.000 2.046 24 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 24 L C 2.848 179.725 176.870 0.011 0.000 1.077 24 L CA 1.324 56.153 54.840 -0.019 0.000 0.747 24 L CB -0.128 41.916 42.059 -0.025 0.000 0.896 24 L HN 0.253 nan 8.230 nan 0.000 0.432 25 S N -0.606 115.104 115.700 0.017 0.000 2.355 25 S HA -0.267 4.203 4.470 -0.000 0.000 0.222 25 S C 1.918 176.546 174.600 0.046 0.000 1.031 25 S CA 1.705 59.923 58.200 0.030 0.000 0.993 25 S CB -0.166 63.047 63.200 0.022 0.000 0.859 25 S HN 0.493 nan 8.310 nan 0.000 0.453 26 E N 0.399 120.626 120.200 0.044 0.000 2.077 26 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 26 E C 2.090 178.746 176.600 0.094 0.000 0.989 26 E CA 1.036 57.471 56.400 0.059 0.000 0.800 26 E CB -0.411 29.319 29.700 0.051 0.000 0.746 26 E HN 0.604 nan 8.360 nan 0.000 0.452 27 A N 0.555 123.432 122.820 0.096 0.000 2.024 27 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 27 A C 1.811 179.565 177.584 0.282 0.000 1.164 27 A CA 1.431 53.569 52.037 0.168 0.000 0.643 27 A CB -0.247 18.774 19.000 0.036 0.000 0.806 27 A HN 0.348 nan 8.150 nan 0.000 0.451 28 Q N 0.206 120.118 119.800 0.186 0.000 2.198 28 Q HA 0.117 4.457 4.340 -0.000 0.000 0.209 28 Q C 0.076 176.146 176.000 0.117 0.000 0.848 28 Q CA 0.152 56.072 55.803 0.196 0.000 0.974 28 Q CB 0.390 29.217 28.738 0.148 0.000 1.115 28 Q HN 0.673 nan 8.270 nan 0.000 0.494 29 S N -0.095 115.664 115.700 0.099 0.000 2.528 29 S HA 0.072 4.542 4.470 -0.000 0.000 0.277 29 S C 1.247 175.880 174.600 0.056 0.000 1.297 29 S CA -0.162 58.077 58.200 0.065 0.000 1.052 29 S CB 1.532 64.766 63.200 0.057 0.000 0.917 29 S HN 0.284 nan 8.310 nan 0.000 0.492 30 S N 1.393 117.115 115.700 0.037 0.000 2.500 30 S HA -0.149 4.321 4.470 -0.000 0.000 0.239 30 S C 0.719 175.331 174.600 0.021 0.000 0.989 30 S CA 1.233 59.446 58.200 0.022 0.000 0.951 30 S CB -0.499 62.710 63.200 0.014 0.000 0.759 30 S HN 0.796 nan 8.310 nan 0.000 0.523 31 D N 0.675 121.092 120.400 0.028 0.000 2.240 31 D HA 0.305 4.945 4.640 -0.000 0.000 0.206 31 D C 0.655 176.976 176.300 0.035 0.000 0.963 31 D CA 0.033 54.049 54.000 0.026 0.000 0.863 31 D CB 0.033 40.847 40.800 0.023 0.000 0.973 31 D HN 0.500 nan 8.370 nan 0.000 0.501 32 I N 1.093 121.694 120.570 0.053 0.000 2.754 32 I HA 0.006 4.176 4.170 -0.000 0.000 0.285 32 I C -0.398 175.768 176.117 0.082 0.000 1.166 32 I CA -0.561 60.783 61.300 0.073 0.000 1.417 32 I CB 0.657 38.719 38.000 0.104 0.000 1.382 32 I HN -0.154 nan 8.210 nan 0.000 0.588 33 L N 7.874 129.160 121.223 0.105 0.000 2.349 33 L HA 0.369 4.709 4.340 -0.000 0.000 0.275 33 L C -0.679 176.337 176.870 0.244 0.000 1.115 33 L CA 0.175 55.106 54.840 0.152 0.000 0.820 33 L CB 1.184 43.312 42.059 0.116 0.000 1.135 33 L HN 0.339 nan 8.230 nan 0.000 0.445 34 V N 4.934 124.989 119.914 0.235 0.000 2.628 34 V HA 0.448 4.568 4.120 -0.000 0.000 0.306 34 V C -0.904 175.300 176.094 0.183 0.000 1.045 34 V CA -0.744 61.653 62.300 0.161 0.000 0.905 34 V CB 1.859 33.574 31.823 -0.180 0.000 0.997 34 V HN 0.842 nan 8.190 nan 0.000 0.436 35 W N 4.523 125.775 121.300 -0.079 0.000 2.683 35 W HA 0.479 5.139 4.660 -0.000 0.000 0.329 35 W C -1.059 175.377 176.519 -0.139 0.000 1.037 35 W CA -0.766 56.371 57.345 -0.347 0.000 1.232 35 W CB 1.903 31.039 29.460 -0.540 0.000 1.390 35 W HN 0.669 nan 8.180 nan 0.000 0.465 36 N N 5.168 123.314 118.700 -0.924 0.000 2.414 36 N HA 0.252 4.992 4.740 -0.000 0.000 0.256 36 N C -0.290 174.786 175.510 -0.724 0.000 1.029 36 N CA -0.140 52.562 53.050 -0.579 0.000 0.948 36 N CB 0.713 38.928 38.487 -0.454 0.000 1.102 36 N HN 0.413 nan 8.380 nan 0.000 0.496 37 L N 2.269 123.371 121.223 -0.202 0.000 2.540 37 L HA 0.068 4.408 4.340 -0.000 0.000 0.276 37 L C 1.277 178.141 176.870 -0.010 0.000 1.212 37 L CA -0.151 54.709 54.840 0.034 0.000 0.893 37 L CB -0.158 41.982 42.059 0.135 0.000 1.138 37 L HN 0.607 nan 8.230 nan 0.000 0.491 38 T N 0.069 114.680 114.554 0.095 0.000 2.828 38 T HA 0.229 4.579 4.350 -0.000 0.000 0.290 38 T C -1.753 173.018 174.700 0.119 0.000 1.019 38 T CA -1.699 60.453 62.100 0.087 0.000 1.031 38 T CB 1.354 70.323 68.868 0.170 0.000 1.001 38 T HN 0.331 nan 8.240 nan 0.000 0.531 39 P HA -0.151 nan 4.420 nan 0.000 0.214 39 P C 1.712 179.098 177.300 0.145 0.000 1.169 39 P CA 1.246 64.420 63.100 0.123 0.000 0.908 39 P CB 0.012 31.788 31.700 0.128 0.000 0.791 40 R N -0.256 120.345 120.500 0.169 0.000 2.127 40 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 40 R C 2.299 178.704 176.300 0.175 0.000 1.134 40 R CA 1.559 57.737 56.100 0.131 0.000 0.975 40 R CB -0.393 29.923 30.300 0.027 0.000 0.865 40 R HN 0.270 nan 8.270 nan 0.000 0.447 41 Q N -0.002 119.916 119.800 0.196 0.000 2.167 41 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 41 Q C 2.157 178.304 176.000 0.245 0.000 0.970 41 Q CA 1.195 57.139 55.803 0.234 0.000 0.855 41 Q CB 0.009 28.866 28.738 0.199 0.000 0.911 41 Q HN 0.386 nan 8.270 nan 0.000 0.438 42 L N -0.420 120.907 121.223 0.174 0.000 2.083 42 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 42 L C 2.392 179.337 176.870 0.126 0.000 1.083 42 L CA 0.677 55.594 54.840 0.128 0.000 0.752 42 L CB -0.313 41.791 42.059 0.075 0.000 0.899 42 L HN 0.407 nan 8.230 nan 0.000 0.433 43 C N -0.270 119.115 119.300 0.142 0.000 2.453 43 C HA -0.147 4.312 4.460 -0.000 0.000 0.277 43 C C 2.432 177.490 174.990 0.112 0.000 1.262 43 C CA 0.590 59.679 59.018 0.119 0.000 1.718 43 C CB -0.665 27.151 27.740 0.126 0.000 2.031 43 C HN 0.547 nan 8.230 nan 0.000 0.480 44 D N 0.618 121.155 120.400 0.229 0.000 2.084 44 D HA -0.113 4.527 4.640 -0.000 0.000 0.194 44 D C 1.824 178.209 176.300 0.142 0.000 0.990 44 D CA 0.962 55.154 54.000 0.321 0.000 0.826 44 D CB -0.628 40.498 40.800 0.543 0.000 0.971 44 D HN 0.345 nan 8.370 nan 0.000 0.453 45 I N 1.198 121.899 120.570 0.217 0.000 2.315 45 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 45 I C 2.034 178.141 176.117 -0.018 0.000 1.125 45 I CA 1.519 62.886 61.300 0.111 0.000 1.392 45 I CB -0.152 37.987 38.000 0.232 0.000 1.065 45 I HN 0.027 nan 8.210 nan 0.000 0.424 46 E N -0.433 119.754 120.200 -0.022 0.000 2.152 46 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 46 E C 2.041 178.544 176.600 -0.161 0.000 0.983 46 E CA 0.697 57.061 56.400 -0.060 0.000 0.818 46 E CB -0.030 29.671 29.700 0.002 0.000 0.758 46 E HN 0.402 nan 8.360 nan 0.000 0.467 47 L N 0.863 121.891 121.223 -0.325 0.000 2.313 47 L HA -0.006 4.334 4.340 -0.000 0.000 0.214 47 L C 2.062 178.613 176.870 -0.533 0.000 1.119 47 L CA 0.947 55.412 54.840 -0.625 0.000 0.809 47 L CB -0.398 40.789 42.059 -1.453 0.000 0.933 47 L HN 0.344 nan 8.230 nan 0.000 0.449 48 I N -0.778 119.604 120.570 -0.314 0.000 2.339 48 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 48 I C 2.315 178.362 176.117 -0.117 0.000 1.096 48 I CA 0.735 61.964 61.300 -0.118 0.000 1.408 48 I CB -0.109 37.802 38.000 -0.149 0.000 1.092 48 I HN 0.123 nan 8.210 nan 0.000 0.423 49 L N 1.512 122.662 121.223 -0.122 0.000 2.201 49 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 49 L C 1.851 178.662 176.870 -0.098 0.000 1.105 49 L CA 1.192 55.975 54.840 -0.094 0.000 0.775 49 L CB -0.792 41.223 42.059 -0.074 0.000 0.913 49 L HN 0.488 nan 8.230 nan 0.000 0.440 50 N N -0.253 118.373 118.700 -0.124 0.000 2.336 50 N HA 0.054 4.794 4.740 -0.000 0.000 0.189 50 N C 1.206 176.610 175.510 -0.176 0.000 1.113 50 N CA 0.748 53.715 53.050 -0.138 0.000 0.858 50 N CB 0.560 38.965 38.487 -0.136 0.000 0.970 50 N HN 0.212 nan 8.380 nan 0.000 0.471 51 G N -1.346 107.366 108.800 -0.145 0.000 2.175 51 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 51 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 51 G C 1.047 175.871 174.900 -0.127 0.000 0.982 51 G CA 0.168 45.195 45.100 -0.122 0.000 0.641 51 G HN 0.655 nan 8.290 nan 0.000 0.527 52 G N -0.204 108.471 108.800 -0.208 0.000 2.470 52 G HA2 0.109 4.069 3.960 -0.000 0.000 0.220 52 G HA3 0.109 4.069 3.960 -0.000 0.000 0.220 52 G C 1.009 176.088 174.900 0.298 0.000 1.121 52 G CA 1.368 46.389 45.100 -0.132 0.000 0.766 52 G HN 0.448 nan 8.290 nan 0.000 0.553 53 F N 1.685 121.729 119.950 0.157 0.000 2.684 53 F HA 0.385 4.912 4.527 -0.000 0.000 0.298 53 F C 1.046 176.949 175.800 0.170 0.000 1.120 53 F CA -1.655 56.563 58.000 0.364 0.000 1.332 53 F CB -0.380 38.811 39.000 0.319 0.000 0.986 53 F HN -0.146 nan 8.300 nan 0.000 0.524 54 S N 3.640 119.514 115.700 0.290 0.000 2.558 54 S HA -0.003 4.467 4.470 -0.000 0.000 0.291 54 S C -1.136 173.598 174.600 0.224 0.000 1.306 54 S CA -0.501 57.790 58.200 0.152 0.000 1.056 54 S CB 0.498 63.766 63.200 0.113 0.000 0.836 54 S HN 0.176 nan 8.310 nan 0.000 0.504 55 P HA 0.067 nan 4.420 nan 0.000 0.245 55 P C -0.068 177.156 177.300 -0.127 0.000 1.212 55 P CA 0.037 63.109 63.100 -0.045 0.000 0.774 55 P CB 0.039 31.700 31.700 -0.065 0.000 0.999 56 L N 1.440 122.518 121.223 -0.242 0.000 2.554 56 L HA -0.026 4.314 4.340 -0.000 0.000 0.293 56 L C 1.530 178.324 176.870 -0.126 0.000 1.252 56 L CA 1.727 56.418 54.840 -0.247 0.000 0.862 56 L CB -0.417 41.450 42.059 -0.319 0.000 1.113 56 L HN 0.088 nan 8.230 nan 0.000 0.510 57 T N -1.328 113.149 114.554 -0.129 0.000 3.541 57 T HA 0.659 5.009 4.350 -0.000 0.000 0.309 57 T C 0.149 174.779 174.700 -0.116 0.000 0.973 57 T CA 0.032 62.072 62.100 -0.100 0.000 0.993 57 T CB -0.109 68.716 68.868 -0.072 0.000 1.206 57 T HN 0.966 nan 8.240 nan 0.000 0.489 58 G N 0.755 109.448 108.800 -0.178 0.000 2.317 58 G HA2 0.443 4.403 3.960 -0.000 0.000 0.293 58 G HA3 0.443 4.403 3.960 -0.000 0.000 0.293 58 G C -1.950 172.769 174.900 -0.303 0.000 1.287 58 G CA -1.062 43.905 45.100 -0.222 0.000 0.850 58 G HN 0.155 nan 8.290 nan 0.000 0.515 59 F N 1.139 121.104 119.950 0.025 0.000 2.404 59 F HA 0.500 5.027 4.527 -0.000 0.000 0.345 59 F C 1.322 177.133 175.800 0.018 0.000 1.110 59 F CA -0.659 57.350 58.000 0.015 0.000 1.130 59 F CB 1.238 40.233 39.000 -0.008 0.000 1.129 59 F HN 0.184 nan 8.300 nan 0.000 0.500 60 L N 4.431 125.761 121.223 0.179 0.000 2.615 60 L HA -0.085 4.255 4.340 -0.000 0.000 0.284 60 L C 0.720 177.739 176.870 0.247 0.000 1.237 60 L CA 0.190 55.123 54.840 0.155 0.000 0.905 60 L CB -0.284 41.878 42.059 0.172 0.000 1.149 60 L HN 0.755 nan 8.230 nan 0.000 0.499 61 N N 2.153 120.954 118.700 0.169 0.000 2.379 61 N HA 0.021 4.761 4.740 -0.000 0.000 0.260 61 N C 0.572 176.075 175.510 -0.011 0.000 1.254 61 N CA -0.841 52.300 53.050 0.152 0.000 0.958 61 N CB 1.100 39.621 38.487 0.056 0.000 1.208 61 N HN 0.656 nan 8.380 nan 0.000 0.532 62 E N 0.205 120.091 120.200 -0.522 0.000 2.118 62 E HA -0.320 4.029 4.350 -0.000 0.000 0.195 62 E C 1.577 178.045 176.600 -0.221 0.000 0.992 62 E CA 1.251 57.130 56.400 -0.868 0.000 0.804 62 E CB -0.129 28.892 29.700 -1.131 0.000 0.741 62 E HN 0.691 nan 8.360 nan 0.000 0.458 63 N N -0.064 118.549 118.700 -0.145 0.000 2.058 63 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 63 N C 1.505 176.994 175.510 -0.036 0.000 1.037 63 N CA 1.478 54.483 53.050 -0.074 0.000 0.848 63 N CB -0.017 38.435 38.487 -0.058 0.000 1.021 63 N HN 0.145 nan 8.380 nan 0.000 0.422 64 D N -0.426 119.969 120.400 -0.009 0.000 2.149 64 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 64 D C 1.663 177.988 176.300 0.043 0.000 0.972 64 D CA 0.567 54.566 54.000 -0.000 0.000 0.835 64 D CB -0.277 40.514 40.800 -0.015 0.000 0.966 64 D HN 0.400 nan 8.370 nan 0.000 0.476 65 Y N 2.135 122.433 120.300 -0.004 0.000 2.114 65 Y HA -0.266 4.284 4.550 -0.000 0.000 0.284 65 Y C 2.471 178.394 175.900 0.039 0.000 1.143 65 Y CA 2.382 60.523 58.100 0.068 0.000 1.135 65 Y CB -0.593 38.002 38.460 0.224 0.000 0.980 65 Y HN -0.028 nan 8.280 nan 0.000 0.499 66 S N -1.444 114.110 115.700 -0.244 0.000 2.402 66 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 66 S C 2.271 176.738 174.600 -0.223 0.000 1.021 66 S CA 1.136 59.136 58.200 -0.333 0.000 0.974 66 S CB -1.031 62.091 63.200 -0.130 0.000 0.800 66 S HN 0.479 nan 8.310 nan 0.000 0.484 67 S N 0.592 116.213 115.700 -0.132 0.000 2.399 67 S HA -0.010 4.460 4.470 -0.000 0.000 0.231 67 S C 1.719 176.265 174.600 -0.089 0.000 1.022 67 S CA 1.118 59.265 58.200 -0.087 0.000 0.983 67 S CB -0.509 62.661 63.200 -0.050 0.000 0.803 67 S HN 0.444 nan 8.310 nan 0.000 0.480 68 V N 0.991 120.838 119.914 -0.111 0.000 2.488 68 V HA -0.034 4.086 4.120 -0.000 0.000 0.246 68 V C 2.365 178.359 176.094 -0.166 0.000 1.046 68 V CA 1.291 63.542 62.300 -0.082 0.000 1.053 68 V CB -0.348 31.473 31.823 -0.003 0.000 0.679 68 V HN 0.380 nan 8.190 nan 0.000 0.458 69 V N 0.962 120.702 119.914 -0.291 0.000 2.295 69 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 69 V C 2.638 178.615 176.094 -0.194 0.000 1.049 69 V CA 2.624 64.739 62.300 -0.309 0.000 1.024 69 V CB -0.933 30.621 31.823 -0.448 0.000 0.648 69 V HN 0.792 nan 8.190 nan 0.000 0.447 70 T N -4.196 110.263 114.554 -0.158 0.000 3.037 70 T HA 0.031 4.381 4.350 -0.000 0.000 0.251 70 T C 1.089 175.756 174.700 -0.056 0.000 1.079 70 T CA 0.731 62.774 62.100 -0.095 0.000 1.067 70 T CB 0.111 68.931 68.868 -0.080 0.000 0.948 70 T HN 0.371 nan 8.240 nan 0.000 0.496 71 D N 0.299 120.667 120.400 -0.053 0.000 2.500 71 D HA 0.268 4.908 4.640 -0.000 0.000 0.217 71 D C 0.415 176.716 176.300 0.003 0.000 1.159 71 D CA 0.057 54.048 54.000 -0.015 0.000 0.828 71 D CB 0.553 41.345 40.800 -0.013 0.000 1.039 71 D HN 0.213 nan 8.370 nan 0.000 0.512 72 S N 0.484 116.171 115.700 -0.022 0.000 3.521 72 S HA -0.238 4.232 4.470 -0.000 0.000 0.328 72 S C 0.272 174.860 174.600 -0.020 0.000 1.165 72 S CA 0.918 59.102 58.200 -0.026 0.000 0.941 72 S CB -0.706 62.508 63.200 0.024 0.000 0.951 72 S HN 0.383 nan 8.310 nan 0.000 0.539 73 R N -0.909 119.599 120.500 0.012 0.000 2.707 73 R HA 0.601 4.941 4.340 -0.000 0.000 0.272 73 R C -0.400 175.924 176.300 0.040 0.000 1.011 73 R CA -0.966 55.159 56.100 0.042 0.000 0.893 73 R CB 1.060 31.371 30.300 0.018 0.000 1.233 73 R HN 0.109 nan 8.270 nan 0.000 0.464 74 L N 1.108 122.359 121.223 0.047 0.000 2.466 74 L HA 0.192 4.532 4.340 -0.000 0.000 0.257 74 L C 1.685 178.543 176.870 -0.019 0.000 1.189 74 L CA 0.150 54.983 54.840 -0.011 0.000 0.813 74 L CB 0.682 42.708 42.059 -0.055 0.000 1.118 74 L HN 0.914 nan 8.230 nan 0.000 0.471 75 A N 1.018 123.818 122.820 -0.032 0.000 1.986 75 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 75 A C 1.530 179.099 177.584 -0.025 0.000 1.171 75 A CA 1.970 53.989 52.037 -0.030 0.000 0.640 75 A CB -0.683 18.297 19.000 -0.034 0.000 0.811 75 A HN 0.936 nan 8.150 nan 0.000 0.451 76 D N -2.191 118.192 120.400 -0.030 0.000 2.324 76 D HA 0.286 4.926 4.640 -0.000 0.000 0.235 76 D C 1.136 177.424 176.300 -0.020 0.000 1.095 76 D CA 0.989 54.972 54.000 -0.027 0.000 0.871 76 D CB -0.596 40.182 40.800 -0.037 0.000 0.906 76 D HN 0.807 nan 8.370 nan 0.000 0.522 77 G N -0.608 108.186 108.800 -0.011 0.000 2.217 77 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.246 77 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.246 77 G C 0.501 175.404 174.900 0.006 0.000 0.990 77 G CA 0.259 45.359 45.100 -0.001 0.000 0.627 77 G HN 0.470 nan 8.290 nan 0.000 0.522 78 T N 2.061 116.617 114.554 0.003 0.000 2.902 78 T HA 0.351 4.701 4.350 -0.000 0.000 0.301 78 T C 0.527 175.301 174.700 0.123 0.000 1.012 78 T CA 0.125 62.240 62.100 0.025 0.000 1.151 78 T CB 1.388 70.257 68.868 0.002 0.000 0.946 78 T HN 0.699 nan 8.240 nan 0.000 0.542 79 L N 5.541 126.859 121.223 0.158 0.000 2.562 79 L HA 0.237 4.577 4.340 -0.000 0.000 0.271 79 L C -0.753 176.277 176.870 0.267 0.000 1.167 79 L CA 0.250 55.151 54.840 0.101 0.000 0.917 79 L CB -0.455 41.582 42.059 -0.038 0.000 1.187 79 L HN 0.710 nan 8.230 nan 0.000 0.482 80 W N 5.935 127.180 121.300 -0.093 0.000 3.089 80 W HA 0.148 4.808 4.660 -0.000 0.000 0.333 80 W C 0.277 176.695 176.519 -0.167 0.000 1.053 80 W CA 0.077 57.359 57.345 -0.104 0.000 1.257 80 W CB 1.962 31.383 29.460 -0.065 0.000 1.281 80 W HN 0.717 nan 8.180 nan 0.000 0.427 81 T N 1.158 115.445 114.554 -0.445 0.000 3.035 81 T HA 0.177 4.527 4.350 -0.000 0.000 0.259 81 T C 0.698 175.147 174.700 -0.418 0.000 1.078 81 T CA 0.545 62.444 62.100 -0.335 0.000 1.132 81 T CB 0.556 69.278 68.868 -0.244 0.000 0.900 81 T HN 0.137 nan 8.240 nan 0.000 0.480 82 I N 4.073 124.178 120.570 -0.774 0.000 2.339 82 I HA 0.409 4.579 4.170 -0.000 0.000 0.290 82 I C -2.571 173.339 176.117 -0.345 0.000 0.994 82 I CA -3.543 57.315 61.300 -0.736 0.000 1.191 82 I CB 1.284 38.347 38.000 -1.561 0.000 1.343 82 I HN 0.038 nan 8.210 nan 0.000 0.458 83 P HA 0.217 nan 4.420 nan 0.000 0.276 83 P C -0.739 176.609 177.300 0.079 0.000 1.253 83 P CA -0.201 62.957 63.100 0.096 0.000 0.766 83 P CB 1.088 32.918 31.700 0.216 0.000 0.845 84 I N 4.642 125.291 120.570 0.132 0.000 2.330 84 I HA 0.261 4.431 4.170 -0.000 0.000 0.286 84 I C 1.026 177.273 176.117 0.217 0.000 1.025 84 I CA -0.169 61.237 61.300 0.176 0.000 1.197 84 I CB 0.606 38.735 38.000 0.215 0.000 1.358 84 I HN 0.368 nan 8.210 nan 0.000 0.467 85 T N 3.453 118.044 114.554 0.061 0.000 2.916 85 T HA 0.660 5.010 4.350 -0.000 0.000 0.292 85 T C -0.635 173.822 174.700 -0.405 0.000 1.064 85 T CA -0.845 61.141 62.100 -0.189 0.000 1.011 85 T CB 2.404 70.710 68.868 -0.936 0.000 1.152 85 T HN 0.225 nan 8.240 nan 0.000 0.510 86 L N 3.182 124.011 121.223 -0.657 0.000 2.272 86 L HA 0.398 4.738 4.340 -0.000 0.000 0.284 86 L C -0.690 175.853 176.870 -0.545 0.000 1.045 86 L CA -0.470 53.834 54.840 -0.893 0.000 0.842 86 L CB 0.125 41.517 42.059 -1.113 0.000 1.224 86 L HN 0.757 nan 8.230 nan 0.000 0.430 87 D N 5.248 125.427 120.400 -0.368 0.000 2.277 87 D HA 0.400 5.040 4.640 -0.000 0.000 0.249 87 D C 0.025 176.211 176.300 -0.191 0.000 1.134 87 D CA -0.314 53.629 54.000 -0.095 0.000 0.863 87 D CB 1.780 42.633 40.800 0.090 0.000 1.143 87 D HN 0.325 nan 8.370 nan 0.000 0.458 88 V N -0.973 118.825 119.914 -0.193 0.000 3.158 88 V HA 0.625 4.745 4.120 -0.000 0.000 0.311 88 V C -0.704 175.447 176.094 0.094 0.000 1.181 88 V CA -1.178 60.937 62.300 -0.308 0.000 1.054 88 V CB 1.792 33.208 31.823 -0.679 0.000 1.085 88 V HN 0.618 nan 8.190 nan 0.000 0.446 89 D N -0.996 119.519 120.400 0.192 0.000 2.277 89 D HA 0.253 4.893 4.640 -0.000 0.000 0.250 89 D C 0.807 177.114 176.300 0.012 0.000 1.032 89 D CA -0.242 53.882 54.000 0.206 0.000 0.947 89 D CB 1.480 42.407 40.800 0.210 0.000 1.159 89 D HN 0.834 nan 8.370 nan 0.000 0.460 90 E N 0.490 120.619 120.200 -0.119 0.000 2.086 90 E HA -0.327 4.023 4.350 -0.000 0.000 0.200 90 E C 1.877 178.313 176.600 -0.273 0.000 1.012 90 E CA 1.721 57.804 56.400 -0.529 0.000 0.812 90 E CB -0.234 29.338 29.700 -0.213 0.000 0.743 90 E HN 0.586 nan 8.360 nan 0.000 0.453 91 A N 0.414 123.196 122.820 -0.064 0.000 1.892 91 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 91 A C 2.021 179.621 177.584 0.027 0.000 1.188 91 A CA 1.668 53.705 52.037 -0.001 0.000 0.631 91 A CB -0.927 18.115 19.000 0.070 0.000 0.822 91 A HN 0.507 nan 8.150 nan 0.000 0.447 92 F N 0.507 120.439 119.950 -0.030 0.000 2.163 92 F HA 0.112 4.639 4.527 -0.000 0.000 0.297 92 F C 2.563 178.301 175.800 -0.104 0.000 1.094 92 F CA 0.884 58.885 58.000 0.002 0.000 1.290 92 F CB -0.464 38.622 39.000 0.144 0.000 1.017 92 F HN 0.246 nan 8.300 nan 0.000 0.483 93 A N 0.398 123.125 122.820 -0.156 0.000 1.948 93 A HA -0.294 4.026 4.320 -0.000 0.000 0.220 93 A C 1.947 179.345 177.584 -0.310 0.000 1.177 93 A CA 2.254 54.121 52.037 -0.283 0.000 0.636 93 A CB -1.318 17.402 19.000 -0.467 0.000 0.815 93 A HN 0.637 nan 8.150 nan 0.000 0.449 94 N N -0.652 117.871 118.700 -0.295 0.000 2.453 94 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 94 N C 1.403 176.788 175.510 -0.207 0.000 1.041 94 N CA 0.875 53.794 53.050 -0.219 0.000 0.900 94 N CB -0.083 38.300 38.487 -0.174 0.000 0.961 94 N HN 0.672 nan 8.380 nan 0.000 0.443 95 Q N 0.513 120.135 119.800 -0.296 0.000 2.360 95 Q HA 0.171 4.511 4.340 -0.000 0.000 0.202 95 Q C 0.205 176.034 176.000 -0.286 0.000 0.915 95 Q CA 0.272 55.906 55.803 -0.281 0.000 0.943 95 Q CB 0.353 28.890 28.738 -0.334 0.000 1.064 95 Q HN 0.501 nan 8.270 nan 0.000 0.511 96 I N -1.587 118.805 120.570 -0.296 0.000 2.646 96 I HA 0.572 4.742 4.170 -0.000 0.000 0.299 96 I C -0.767 175.279 176.117 -0.118 0.000 1.036 96 I CA -1.304 59.870 61.300 -0.210 0.000 1.074 96 I CB 1.960 39.812 38.000 -0.246 0.000 1.258 96 I HN -0.160 nan 8.210 nan 0.000 0.430 97 K N 3.483 123.841 120.400 -0.071 0.000 2.466 97 K HA 0.711 5.031 4.320 -0.000 0.000 0.260 97 K C -3.123 173.470 176.600 -0.012 0.000 1.011 97 K CA -1.882 54.383 56.287 -0.035 0.000 0.871 97 K CB 1.881 34.363 32.500 -0.031 0.000 1.404 97 K HN 0.312 nan 8.250 nan 0.000 0.450 98 P HA 0.054 nan 4.420 nan 0.000 0.270 98 P C -0.783 176.524 177.300 0.011 0.000 1.223 98 P CA 0.475 63.584 63.100 0.015 0.000 0.785 98 P CB 0.254 31.965 31.700 0.020 0.000 0.923 99 D N -2.661 117.750 120.400 0.018 0.000 2.603 99 D HA -0.117 4.523 4.640 -0.000 0.000 0.180 99 D C -0.239 176.071 176.300 0.018 0.000 0.972 99 D CA 1.698 55.708 54.000 0.017 0.000 1.022 99 D CB -2.032 38.774 40.800 0.010 0.000 1.079 99 D HN 0.383 nan 8.370 nan 0.000 0.455 100 T N 0.729 115.292 114.554 0.015 0.000 2.898 100 T HA 0.407 4.757 4.350 -0.000 0.000 0.301 100 T C 0.539 175.262 174.700 0.038 0.000 1.049 100 T CA -0.046 62.063 62.100 0.016 0.000 1.095 100 T CB 1.024 69.888 68.868 -0.005 0.000 0.976 100 T HN 0.047 nan 8.240 nan 0.000 0.539 101 R N 1.700 122.229 120.500 0.048 0.000 2.393 101 R HA 0.532 4.872 4.340 -0.000 0.000 0.315 101 R C -0.577 175.785 176.300 0.104 0.000 0.952 101 R CA -0.467 55.676 56.100 0.073 0.000 0.842 101 R CB 1.117 31.455 30.300 0.065 0.000 1.163 101 R HN 0.544 nan 8.270 nan 0.000 0.450 102 I N 1.779 122.435 120.570 0.142 0.000 2.460 102 I HA 0.425 4.595 4.170 -0.000 0.000 0.298 102 I C 0.130 176.387 176.117 0.232 0.000 0.989 102 I CA -0.929 60.499 61.300 0.212 0.000 1.173 102 I CB 2.045 40.213 38.000 0.281 0.000 1.338 102 I HN 0.579 nan 8.210 nan 0.000 0.456 103 A N 7.374 130.365 122.820 0.284 0.000 2.260 103 A HA 0.664 4.984 4.320 -0.000 0.000 0.308 103 A C -0.548 177.299 177.584 0.438 0.000 1.254 103 A CA -0.460 51.783 52.037 0.343 0.000 0.874 103 A CB 0.229 19.506 19.000 0.463 0.000 1.153 103 A HN 0.665 nan 8.150 nan 0.000 0.527 104 L N 3.253 124.679 121.223 0.338 0.000 2.257 104 L HA 0.464 4.804 4.340 -0.000 0.000 0.290 104 L C -0.916 176.117 176.870 0.272 0.000 1.044 104 L CA -0.224 54.823 54.840 0.345 0.000 0.810 104 L CB 0.446 42.673 42.059 0.280 0.000 1.193 104 L HN 0.597 nan 8.230 nan 0.000 0.425 105 F N 1.423 121.396 119.950 0.039 0.000 2.497 105 F HA 0.464 4.991 4.527 -0.000 0.000 0.331 105 F C 0.363 176.140 175.800 -0.037 0.000 1.060 105 F CA -0.596 57.399 58.000 -0.009 0.000 0.989 105 F CB 1.569 40.548 39.000 -0.036 0.000 1.245 105 F HN 0.384 nan 8.300 nan 0.000 0.486 106 Q N 1.181 121.049 119.800 0.114 0.000 2.330 106 Q HA 0.280 4.620 4.340 -0.000 0.000 0.269 106 Q C -1.266 174.769 176.000 0.058 0.000 1.022 106 Q CA -0.506 55.320 55.803 0.039 0.000 0.796 106 Q CB 1.092 29.812 28.738 -0.029 0.000 1.271 106 Q HN 0.723 nan 8.270 nan 0.000 0.450 107 D N 3.195 123.608 120.400 0.023 0.000 2.837 107 D HA -0.196 4.444 4.640 -0.000 0.000 0.230 107 D C -0.879 175.443 176.300 0.036 0.000 1.152 107 D CA 1.485 55.494 54.000 0.016 0.000 0.736 107 D CB -0.850 39.967 40.800 0.028 0.000 1.084 107 D HN 0.900 nan 8.370 nan 0.000 0.429 108 D N -0.556 119.867 120.400 0.039 0.000 2.720 108 D HA -0.251 4.389 4.640 -0.000 0.000 0.229 108 D C 1.067 177.438 176.300 0.118 0.000 1.198 108 D CA 1.728 55.735 54.000 0.011 0.000 0.639 108 D CB -0.354 40.387 40.800 -0.098 0.000 1.003 108 D HN 0.790 nan 8.370 nan 0.000 0.411 109 E N -1.083 119.313 120.200 0.327 0.000 2.349 109 E HA 0.066 4.416 4.350 -0.000 0.000 0.230 109 E C 0.188 176.938 176.600 0.250 0.000 1.073 109 E CA -0.233 56.336 56.400 0.282 0.000 1.635 109 E CB 0.479 30.252 29.700 0.122 0.000 3.361 109 E HN 0.167 nan 8.360 nan 0.000 1.066 110 I N 5.280 125.908 120.570 0.096 0.000 2.297 110 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 110 I C -2.337 173.511 176.117 -0.448 0.000 1.033 110 I CA -2.174 59.053 61.300 -0.122 0.000 1.253 110 I CB 1.325 39.272 38.000 -0.087 0.000 1.396 110 I HN -0.017 nan 8.210 nan 0.000 0.476 111 P HA 0.116 nan 4.420 nan 0.000 0.276 111 P C 0.377 177.401 177.300 -0.460 0.000 1.264 111 P CA -0.089 62.348 63.100 -1.105 0.000 0.769 111 P CB 1.533 32.658 31.700 -0.958 0.000 0.840 112 I N 2.228 122.611 120.570 -0.312 0.000 2.429 112 I HA 0.183 4.353 4.170 -0.000 0.000 0.247 112 I C 1.319 177.389 176.117 -0.077 0.000 1.099 112 I CA 0.713 61.931 61.300 -0.137 0.000 1.422 112 I CB -1.051 36.920 38.000 -0.049 0.000 1.112 112 I HN 0.367 nan 8.210 nan 0.000 0.430 113 A N 0.262 123.063 122.820 -0.032 0.000 2.536 113 A HA 0.651 4.971 4.320 -0.000 0.000 0.293 113 A C -1.509 176.111 177.584 0.061 0.000 1.119 113 A CA -0.425 51.620 52.037 0.013 0.000 0.654 113 A CB 1.291 20.315 19.000 0.040 0.000 1.291 113 A HN -0.052 nan 8.150 nan 0.000 0.439 114 I N 1.718 122.328 120.570 0.066 0.000 2.389 114 I HA 0.354 4.524 4.170 -0.000 0.000 0.288 114 I C -0.732 175.447 176.117 0.103 0.000 0.999 114 I CA -0.445 60.911 61.300 0.094 0.000 1.129 114 I CB 1.367 39.408 38.000 0.070 0.000 1.288 114 I HN 0.592 nan 8.210 nan 0.000 0.444 115 L N 6.876 128.181 121.223 0.137 0.000 2.282 115 L HA 0.488 4.828 4.340 -0.000 0.000 0.288 115 L C -0.339 176.599 176.870 0.112 0.000 1.033 115 L CA 0.061 54.986 54.840 0.142 0.000 0.807 115 L CB 1.492 43.668 42.059 0.196 0.000 1.209 115 L HN 0.544 nan 8.230 nan 0.000 0.423 116 T N 4.908 119.514 114.554 0.088 0.000 2.738 116 T HA 0.305 4.655 4.350 -0.000 0.000 0.298 116 T C 0.270 175.011 174.700 0.070 0.000 0.962 116 T CA -0.327 61.814 62.100 0.068 0.000 0.972 116 T CB 0.991 69.888 68.868 0.048 0.000 0.928 116 T HN 0.421 nan 8.240 nan 0.000 0.474 117 V N 4.920 124.873 119.914 0.065 0.000 2.599 117 V HA 0.013 4.133 4.120 -0.000 0.000 0.300 117 V C 1.180 177.307 176.094 0.055 0.000 1.034 117 V CA 0.534 62.871 62.300 0.062 0.000 1.115 117 V CB 0.719 32.567 31.823 0.042 0.000 0.934 117 V HN 0.927 nan 8.190 nan 0.000 0.485 118 Q N 1.889 121.731 119.800 0.069 0.000 2.442 118 Q HA 0.179 4.519 4.340 -0.000 0.000 0.228 118 Q C -0.180 175.861 176.000 0.067 0.000 0.902 118 Q CA 0.529 56.367 55.803 0.059 0.000 0.933 118 Q CB 0.838 29.612 28.738 0.060 0.000 1.071 118 Q HN 1.045 nan 8.270 nan 0.000 0.562 119 D N -1.774 118.688 120.400 0.104 0.000 2.742 119 D HA 0.225 4.865 4.640 -0.000 0.000 0.262 119 D C -1.238 175.180 176.300 0.195 0.000 1.240 119 D CA -0.634 53.445 54.000 0.131 0.000 0.752 119 D CB 1.165 42.039 40.800 0.123 0.000 1.290 119 D HN -0.175 nan 8.370 nan 0.000 0.420 120 V N 1.226 121.258 119.914 0.196 0.000 2.447 120 V HA 0.612 4.732 4.120 -0.000 0.000 0.292 120 V C -1.052 175.196 176.094 0.255 0.000 1.021 120 V CA -0.703 61.697 62.300 0.166 0.000 0.850 120 V CB 0.597 32.457 31.823 0.061 0.000 1.005 120 V HN 0.649 nan 8.190 nan 0.000 0.426 121 Y N 1.573 121.904 120.300 0.052 0.000 2.605 121 Y HA 0.771 5.321 4.550 -0.000 0.000 0.343 121 Y C -0.342 175.494 175.900 -0.107 0.000 1.036 121 Y CA -1.546 56.555 58.100 0.002 0.000 1.065 121 Y CB 1.995 40.445 38.460 -0.018 0.000 1.288 121 Y HN 0.433 nan 8.280 nan 0.000 0.481 122 K N 4.260 124.597 120.400 -0.104 0.000 2.414 122 K HA 0.397 4.717 4.320 -0.000 0.000 0.251 122 K C -2.704 173.697 176.600 -0.333 0.000 1.037 122 K CA -2.111 53.903 56.287 -0.455 0.000 0.980 122 K CB 0.663 32.877 32.500 -0.476 0.000 1.280 122 K HN 0.578 nan 8.250 nan 0.000 0.451 123 P HA -0.024 nan 4.420 nan 0.000 0.269 123 P C -1.063 176.113 177.300 -0.206 0.000 1.215 123 P CA -0.150 62.760 63.100 -0.317 0.000 0.780 123 P CB 0.572 31.802 31.700 -0.783 0.000 0.898 124 N N 1.327 120.011 118.700 -0.026 0.000 2.482 124 N HA 0.037 4.777 4.740 -0.000 0.000 0.242 124 N C 1.089 176.599 175.510 0.000 0.000 1.100 124 N CA -0.463 52.583 53.050 -0.007 0.000 0.946 124 N CB 0.130 38.639 38.487 0.037 0.000 1.227 124 N HN 0.183 nan 8.380 nan 0.000 0.508 125 K N 0.966 121.318 120.400 -0.079 0.000 2.211 125 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 125 K C 1.251 177.835 176.600 -0.027 0.000 1.047 125 K CA 1.304 57.474 56.287 -0.195 0.000 0.935 125 K CB 0.066 32.202 32.500 -0.606 0.000 0.728 125 K HN 0.542 nan 8.250 nan 0.000 0.452 126 T N 1.648 116.322 114.554 0.200 0.000 2.821 126 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 126 T C 1.872 176.659 174.700 0.146 0.000 1.046 126 T CA 0.917 63.190 62.100 0.289 0.000 1.139 126 T CB -0.073 68.930 68.868 0.226 0.000 0.871 126 T HN 0.157 nan 8.240 nan 0.000 0.454 127 I N 0.826 121.445 120.570 0.082 0.000 2.202 127 I HA -0.128 4.042 4.170 -0.000 0.000 0.242 127 I C 2.738 178.848 176.117 -0.011 0.000 1.091 127 I CA 1.342 62.661 61.300 0.031 0.000 1.368 127 I CB -0.431 37.578 38.000 0.016 0.000 1.058 127 I HN 0.325 nan 8.210 nan 0.000 0.410 128 E N 1.479 121.680 120.200 0.002 0.000 2.058 128 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 128 E C 2.258 178.782 176.600 -0.127 0.000 0.997 128 E CA 1.563 57.925 56.400 -0.062 0.000 0.801 128 E CB -0.034 29.730 29.700 0.106 0.000 0.746 128 E HN 0.467 nan 8.360 nan 0.000 0.450 129 A N 0.880 123.732 122.820 0.053 0.000 1.883 129 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 129 A C 1.964 179.606 177.584 0.096 0.000 1.186 129 A CA 1.859 54.013 52.037 0.195 0.000 0.624 129 A CB -0.501 18.692 19.000 0.322 0.000 0.822 129 A HN 0.360 nan 8.150 nan 0.000 0.444 130 E N -1.041 119.193 120.200 0.057 0.000 2.051 130 E HA -0.087 4.263 4.350 -0.000 0.000 0.189 130 E C 2.374 178.956 176.600 -0.031 0.000 0.979 130 E CA 0.589 57.008 56.400 0.032 0.000 0.803 130 E CB -0.119 29.607 29.700 0.044 0.000 0.761 130 E HN 0.331 nan 8.360 nan 0.000 0.451 131 R N 0.453 120.905 120.500 -0.079 0.000 2.090 131 R HA -0.028 4.312 4.340 -0.000 0.000 0.228 131 R C 2.259 178.449 176.300 -0.184 0.000 1.110 131 R CA 0.782 56.817 56.100 -0.108 0.000 0.973 131 R CB -0.326 29.905 30.300 -0.115 0.000 0.869 131 R HN 0.134 nan 8.270 nan 0.000 0.440 132 V N -0.405 119.291 119.914 -0.363 0.000 2.575 132 V HA -0.024 4.096 4.120 -0.000 0.000 0.242 132 V C 1.197 176.954 176.094 -0.561 0.000 1.045 132 V CA 1.164 63.096 62.300 -0.614 0.000 1.065 132 V CB -0.240 30.903 31.823 -1.133 0.000 0.717 132 V HN 0.040 nan 8.190 nan 0.000 0.467 133 F N -0.180 119.715 119.950 -0.091 0.000 2.661 133 F HA 0.465 4.992 4.527 -0.000 0.000 0.306 133 F C 1.307 177.008 175.800 -0.165 0.000 1.094 133 F CA -0.734 57.128 58.000 -0.230 0.000 1.254 133 F CB -0.299 38.357 39.000 -0.574 0.000 1.040 133 F HN -0.030 nan 8.300 nan 0.000 0.562 134 R N -0.601 119.926 120.500 0.045 0.000 3.919 134 R HA -0.203 4.137 4.340 -0.000 0.000 0.412 134 R C 1.558 177.904 176.300 0.076 0.000 1.102 134 R CA 0.429 56.554 56.100 0.041 0.000 1.082 134 R CB -2.089 28.203 30.300 -0.013 0.000 1.671 134 R HN 0.578 nan 8.270 nan 0.000 0.540 135 G N 0.464 109.327 108.800 0.104 0.000 2.377 135 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.250 135 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.250 135 G C 0.002 175.004 174.900 0.170 0.000 1.039 135 G CA 0.440 45.620 45.100 0.134 0.000 0.625 135 G HN 0.505 nan 8.290 nan 0.000 0.526 136 D N 2.404 122.928 120.400 0.208 0.000 2.472 136 D HA 0.184 4.824 4.640 -0.000 0.000 0.248 136 D C 0.028 176.500 176.300 0.287 0.000 1.174 136 D CA -0.746 53.405 54.000 0.253 0.000 0.883 136 D CB 1.244 42.258 40.800 0.357 0.000 1.149 136 D HN 0.265 nan 8.370 nan 0.000 0.488 137 P HA -0.139 nan 4.420 nan 0.000 0.223 137 P C 0.591 178.021 177.300 0.216 0.000 1.144 137 P CA 1.017 64.228 63.100 0.184 0.000 0.783 137 P CB 0.392 32.148 31.700 0.095 0.000 0.771 138 E N -1.907 118.463 120.200 0.284 0.000 2.447 138 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 138 E C 0.898 177.665 176.600 0.277 0.000 1.028 138 E CA -0.234 56.344 56.400 0.297 0.000 0.876 138 E CB -0.216 29.688 29.700 0.340 0.000 0.885 138 E HN 0.346 nan 8.360 nan 0.000 0.500 139 H N 1.527 120.687 119.070 0.150 0.000 3.070 139 H HA -0.017 4.539 4.556 -0.000 0.000 0.313 139 H C -1.873 173.364 175.328 -0.151 0.000 0.997 139 H CA -1.430 54.479 56.048 -0.233 0.000 1.438 139 H CB 1.162 30.868 29.762 -0.093 0.000 1.455 139 H HN -0.109 nan 8.280 nan 0.000 0.575 140 P HA -0.188 nan 4.420 nan 0.000 0.216 140 P C 1.075 178.420 177.300 0.074 0.000 1.154 140 P CA 2.498 65.591 63.100 -0.010 0.000 0.865 140 P CB 0.059 31.676 31.700 -0.139 0.000 0.789 141 A N -1.311 121.559 122.820 0.084 0.000 1.969 141 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 141 A C 2.178 179.562 177.584 -0.333 0.000 1.169 141 A CA 1.218 52.997 52.037 -0.430 0.000 0.635 141 A CB -1.420 16.736 19.000 -1.406 0.000 0.810 141 A HN 0.132 nan 8.150 nan 0.000 0.445 142 I N -1.121 119.382 120.570 -0.112 0.000 2.406 142 I HA -0.140 4.030 4.170 -0.000 0.000 0.249 142 I C 2.749 179.026 176.117 0.265 0.000 1.122 142 I CA 1.294 62.676 61.300 0.137 0.000 1.431 142 I CB -0.150 37.990 38.000 0.235 0.000 1.087 142 I HN 0.395 nan 8.210 nan 0.000 0.424 143 S N 0.090 115.924 115.700 0.222 0.000 2.383 143 S HA -0.233 4.237 4.470 -0.000 0.000 0.227 143 S C 2.134 176.850 174.600 0.194 0.000 1.026 143 S CA 1.154 59.485 58.200 0.218 0.000 0.981 143 S CB -0.321 62.976 63.200 0.162 0.000 0.818 143 S HN 0.485 nan 8.310 nan 0.000 0.472 144 Y N 1.362 121.696 120.300 0.057 0.000 2.163 144 Y HA -0.029 4.521 4.550 -0.000 0.000 0.288 144 Y C 2.072 177.995 175.900 0.039 0.000 1.136 144 Y CA 1.689 59.813 58.100 0.039 0.000 1.147 144 Y CB -0.469 37.991 38.460 -0.001 0.000 0.987 144 Y HN 0.335 nan 8.280 nan 0.000 0.509 145 L N -0.534 120.825 121.223 0.227 0.000 2.081 145 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 145 L C 1.623 178.414 176.870 -0.131 0.000 1.080 145 L CA 1.969 56.846 54.840 0.061 0.000 0.754 145 L CB -0.823 41.221 42.059 -0.025 0.000 0.893 145 L HN 0.290 nan 8.230 nan 0.000 0.433 146 F N -1.283 118.710 119.950 0.070 0.000 2.656 146 F HA 0.096 4.623 4.527 -0.000 0.000 0.291 146 F C 1.902 177.697 175.800 -0.007 0.000 1.122 146 F CA 0.707 58.728 58.000 0.034 0.000 1.427 146 F CB -0.006 39.022 39.000 0.046 0.000 1.125 146 F HN 0.177 nan 8.300 nan 0.000 0.583 147 N N -1.343 117.431 118.700 0.123 0.000 2.294 147 N HA 0.073 4.813 4.740 -0.000 0.000 0.186 147 N C 0.972 176.425 175.510 -0.096 0.000 1.107 147 N CA 0.181 53.248 53.050 0.029 0.000 0.884 147 N CB 0.986 39.495 38.487 0.038 0.000 1.030 147 N HN -0.022 nan 8.380 nan 0.000 0.482 148 V N 0.151 119.904 119.914 -0.269 0.000 3.137 148 V HA 0.317 4.437 4.120 -0.000 0.000 0.236 148 V C 0.733 176.620 176.094 -0.345 0.000 1.260 148 V CA -0.005 62.031 62.300 -0.439 0.000 1.244 148 V CB 0.138 31.368 31.823 -0.988 0.000 1.016 148 V HN 0.152 nan 8.190 nan 0.000 0.477 149 A N 1.057 123.688 122.820 -0.315 0.000 2.445 149 A HA 0.561 4.881 4.320 -0.000 0.000 0.242 149 A C 0.864 178.476 177.584 0.046 0.000 1.075 149 A CA 0.628 52.661 52.037 -0.007 0.000 0.777 149 A CB -0.168 18.929 19.000 0.161 0.000 1.013 149 A HN 0.484 nan 8.150 nan 0.000 0.493 150 G N -0.030 108.837 108.800 0.112 0.000 2.569 150 G HA2 0.362 4.322 3.960 -0.000 0.000 0.249 150 G HA3 0.362 4.322 3.960 -0.000 0.000 0.249 150 G C -0.136 174.794 174.900 0.050 0.000 1.216 150 G CA -0.209 44.960 45.100 0.116 0.000 0.845 150 G HN 0.649 nan 8.290 nan 0.000 0.568 151 D N -0.941 119.472 120.400 0.022 0.000 2.340 151 D HA 0.116 4.756 4.640 -0.000 0.000 0.220 151 D C -0.425 175.497 176.300 -0.631 0.000 1.039 151 D CA 0.703 54.548 54.000 -0.259 0.000 0.866 151 D CB 0.160 40.822 40.800 -0.230 0.000 0.913 151 D HN 0.321 nan 8.370 nan 0.000 0.523 152 Y N -0.473 119.707 120.300 -0.200 0.000 2.425 152 Y HA 0.366 4.916 4.550 -0.000 0.000 0.344 152 Y C -0.299 175.481 175.900 -0.200 0.000 0.969 152 Y CA -1.075 56.862 58.100 -0.272 0.000 1.052 152 Y CB 1.271 39.634 38.460 -0.163 0.000 1.215 152 Y HN -0.162 nan 8.280 nan 0.000 0.451 153 Y N 1.403 121.386 120.300 -0.527 0.000 2.420 153 Y HA 0.636 5.186 4.550 -0.000 0.000 0.334 153 Y C -0.505 175.085 175.900 -0.516 0.000 1.094 153 Y CA -1.422 56.275 58.100 -0.672 0.000 1.126 153 Y CB 2.003 39.763 38.460 -1.167 0.000 1.217 153 Y HN 0.163 nan 8.280 nan 0.000 0.462 154 V N 2.829 122.646 119.914 -0.161 0.000 2.305 154 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 154 V C 0.360 176.495 176.094 0.069 0.000 1.020 154 V CA -0.771 61.503 62.300 -0.044 0.000 0.811 154 V CB 0.929 32.699 31.823 -0.089 0.000 1.031 154 V HN 0.955 nan 8.190 nan 0.000 0.439 155 G N 2.640 111.573 108.800 0.222 0.000 2.483 155 G HA2 0.624 4.584 3.960 -0.000 0.000 0.248 155 G HA3 0.624 4.584 3.960 -0.000 0.000 0.248 155 G C 0.180 175.181 174.900 0.169 0.000 1.248 155 G CA 0.432 45.677 45.100 0.242 0.000 0.838 155 G HN 1.230 nan 8.290 nan 0.000 0.566 156 G N -0.593 108.305 108.800 0.162 0.000 2.340 156 G HA2 0.561 4.521 3.960 -0.000 0.000 0.298 156 G HA3 0.561 4.521 3.960 -0.000 0.000 0.298 156 G C -0.482 174.482 174.900 0.106 0.000 1.498 156 G CA 0.053 45.227 45.100 0.123 0.000 0.847 156 G HN 1.422 nan 8.290 nan 0.000 0.594 157 S N -0.067 115.673 115.700 0.066 0.000 2.585 157 S HA 0.803 5.273 4.470 -0.000 0.000 0.277 157 S C -0.214 174.411 174.600 0.041 0.000 1.241 157 S CA -0.714 57.505 58.200 0.032 0.000 1.041 157 S CB 1.554 64.762 63.200 0.012 0.000 0.987 157 S HN 0.620 nan 8.310 nan 0.000 0.512 158 L N 1.548 122.775 121.223 0.007 0.000 2.344 158 L HA 0.601 4.941 4.340 -0.000 0.000 0.272 158 L C 0.169 177.040 176.870 0.002 0.000 1.035 158 L CA -0.308 54.540 54.840 0.014 0.000 0.807 158 L CB 1.212 43.256 42.059 -0.024 0.000 1.237 158 L HN 0.894 nan 8.230 nan 0.000 0.442 159 E N 0.962 121.169 120.200 0.012 0.000 2.283 159 E HA 0.557 4.907 4.350 -0.000 0.000 0.258 159 E C -0.977 175.621 176.600 -0.003 0.000 0.893 159 E CA -0.663 55.737 56.400 0.001 0.000 0.798 159 E CB 1.963 31.669 29.700 0.010 0.000 1.242 159 E HN 0.691 nan 8.360 nan 0.000 0.414 160 A N 3.779 126.587 122.820 -0.019 0.000 2.401 160 A HA 0.284 4.604 4.320 -0.000 0.000 0.259 160 A C 0.601 178.165 177.584 -0.034 0.000 1.103 160 A CA 0.028 52.048 52.037 -0.028 0.000 0.789 160 A CB 0.156 19.133 19.000 -0.040 0.000 1.035 160 A HN 0.792 nan 8.150 nan 0.000 0.491 161 I N 0.016 120.559 120.570 -0.045 0.000 3.039 161 I HA 0.096 4.266 4.170 -0.000 0.000 0.270 161 I C 0.682 176.759 176.117 -0.066 0.000 1.150 161 I CA 0.633 61.897 61.300 -0.059 0.000 1.448 161 I CB 0.169 38.117 38.000 -0.087 0.000 1.197 161 I HN 0.906 nan 8.210 nan 0.000 0.450 162 Q N 0.358 120.115 119.800 -0.072 0.000 2.736 162 Q HA 0.384 4.723 4.340 -0.000 0.000 0.273 162 Q C -1.494 174.462 176.000 -0.074 0.000 0.948 162 Q CA -0.761 54.998 55.803 -0.073 0.000 0.854 162 Q CB 1.199 29.886 28.738 -0.084 0.000 1.569 162 Q HN 0.003 nan 8.270 nan 0.000 0.405 163 L N 1.217 122.399 121.223 -0.068 0.000 2.473 163 L HA 0.407 4.747 4.340 -0.000 0.000 0.268 163 L C -1.959 174.853 176.870 -0.096 0.000 1.215 163 L CA -1.868 52.935 54.840 -0.061 0.000 0.823 163 L CB -0.135 41.902 42.059 -0.037 0.000 1.099 163 L HN 0.502 nan 8.230 nan 0.000 0.483 164 P HA -0.033 nan 4.420 nan 0.000 0.266 164 P C -0.776 176.289 177.300 -0.392 0.000 1.195 164 P CA -0.128 62.843 63.100 -0.215 0.000 0.768 164 P CB 0.421 32.008 31.700 -0.188 0.000 0.838 165 Q N 2.578 122.135 119.800 -0.406 0.000 2.337 165 Q HA 0.127 4.467 4.340 -0.000 0.000 0.270 165 Q C -0.918 174.666 176.000 -0.694 0.000 1.002 165 Q CA 0.929 56.443 55.803 -0.483 0.000 0.888 165 Q CB 0.028 28.529 28.738 -0.394 0.000 1.222 165 Q HN 0.468 nan 8.270 nan 0.000 0.400 166 H N 2.516 121.350 119.070 -0.392 0.000 2.877 166 H HA 0.234 4.790 4.556 -0.000 0.000 0.347 166 H C -0.958 174.145 175.328 -0.374 0.000 1.042 166 H CA -0.508 55.372 56.048 -0.280 0.000 1.276 166 H CB 0.995 30.677 29.762 -0.133 0.000 1.681 166 H HN 0.709 nan 8.280 nan 0.000 0.521 167 Y N 0.050 120.404 120.300 0.091 0.000 2.458 167 Y HA 0.055 4.605 4.550 -0.000 0.000 0.256 167 Y C 0.239 176.117 175.900 -0.036 0.000 1.159 167 Y CA -0.498 57.613 58.100 0.018 0.000 1.261 167 Y CB 0.531 38.989 38.460 -0.005 0.000 1.119 167 Y HN 0.592 nan 8.280 nan 0.000 0.524 168 D N -1.803 118.626 120.400 0.049 0.000 2.192 168 D HA 0.126 4.766 4.640 -0.000 0.000 0.246 168 D C -0.466 175.707 176.300 -0.212 0.000 1.042 168 D CA -1.006 52.860 54.000 -0.224 0.000 0.847 168 D CB 0.760 41.361 40.800 -0.331 0.000 1.186 168 D HN 0.119 nan 8.370 nan 0.000 0.461 169 Y N -1.250 119.068 120.300 0.030 0.000 3.234 169 Y HA -0.159 4.391 4.550 -0.000 0.000 0.207 169 Y C -1.707 174.176 175.900 -0.028 0.000 1.316 169 Y CA -0.051 58.039 58.100 -0.016 0.000 1.309 169 Y CB -2.549 35.876 38.460 -0.058 0.000 1.408 169 Y HN 0.447 nan 8.280 nan 0.000 0.544 170 P HA -0.172 nan 4.420 nan 0.000 0.216 170 P C 1.804 179.132 177.300 0.046 0.000 1.150 170 P CA 2.359 65.489 63.100 0.051 0.000 0.843 170 P CB 0.084 31.808 31.700 0.040 0.000 0.787 171 G N -1.293 107.540 108.800 0.055 0.000 2.464 171 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.217 171 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.217 171 G C 1.137 176.056 174.900 0.032 0.000 1.138 171 G CA 0.294 45.416 45.100 0.036 0.000 0.793 171 G HN 0.165 nan 8.290 nan 0.000 0.539 172 L N -0.060 121.185 121.223 0.036 0.000 2.341 172 L HA 0.271 4.611 4.340 -0.000 0.000 0.214 172 L C 1.620 178.492 176.870 0.003 0.000 1.115 172 L CA 0.412 55.251 54.840 -0.001 0.000 0.820 172 L CB -0.027 41.997 42.059 -0.059 0.000 0.944 172 L HN -0.008 nan 8.230 nan 0.000 0.452 173 R N 1.132 121.630 120.500 -0.003 0.000 4.154 173 R HA 0.072 4.412 4.340 -0.000 0.000 0.186 173 R C -0.237 176.076 176.300 0.022 0.000 1.750 173 R CA -0.164 55.918 56.100 -0.029 0.000 1.431 173 R CB -0.284 29.965 30.300 -0.086 0.000 1.383 173 R HN -0.038 nan 8.270 nan 0.000 0.788 174 K N 1.501 121.937 120.400 0.061 0.000 2.401 174 K HA 0.020 4.340 4.320 -0.000 0.000 0.278 174 K C 0.775 177.455 176.600 0.133 0.000 1.018 174 K CA 0.153 56.482 56.287 0.069 0.000 0.981 174 K CB 0.605 33.143 32.500 0.063 0.000 0.933 174 K HN 0.344 nan 8.250 nan 0.000 0.477 175 T N -0.482 114.106 114.554 0.057 0.000 2.902 175 T HA 0.238 4.588 4.350 -0.000 0.000 0.280 175 T C -1.765 172.891 174.700 -0.074 0.000 0.992 175 T CA -1.938 60.177 62.100 0.025 0.000 1.015 175 T CB 1.242 70.070 68.868 -0.066 0.000 1.044 175 T HN 0.120 nan 8.240 nan 0.000 0.520 176 P HA -0.152 nan 4.420 nan 0.000 0.216 176 P C 1.719 178.868 177.300 -0.251 0.000 1.157 176 P CA 1.944 64.756 63.100 -0.480 0.000 0.880 176 P CB -0.323 30.954 31.700 -0.706 0.000 0.791 177 A N -0.621 122.075 122.820 -0.208 0.000 1.883 177 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 177 A C 2.253 179.737 177.584 -0.167 0.000 1.186 177 A CA 1.899 53.841 52.037 -0.158 0.000 0.624 177 A CB -1.425 17.500 19.000 -0.124 0.000 0.822 177 A HN 0.216 nan 8.150 nan 0.000 0.444 178 Q N -0.709 118.997 119.800 -0.155 0.000 2.084 178 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 178 Q C 2.154 177.985 176.000 -0.281 0.000 0.978 178 Q CA 1.221 56.925 55.803 -0.164 0.000 0.844 178 Q CB -0.262 28.414 28.738 -0.104 0.000 0.898 178 Q HN 0.652 nan 8.270 nan 0.000 0.426 179 L N 0.387 121.405 121.223 -0.341 0.000 2.017 179 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 179 L C 2.413 178.721 176.870 -0.938 0.000 1.073 179 L CA 1.422 55.842 54.840 -0.699 0.000 0.745 179 L CB -0.184 41.525 42.059 -0.583 0.000 0.894 179 L HN 0.232 nan 8.230 nan 0.000 0.432 180 R N -0.462 119.724 120.500 -0.523 0.000 2.091 180 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 180 R C 2.231 178.379 176.300 -0.252 0.000 1.136 180 R CA 1.260 57.173 56.100 -0.312 0.000 0.959 180 R CB -0.309 29.908 30.300 -0.139 0.000 0.856 180 R HN 0.353 nan 8.270 nan 0.000 0.437 181 L N 0.564 121.636 121.223 -0.252 0.000 2.056 181 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 181 L C 2.392 179.119 176.870 -0.239 0.000 1.078 181 L CA 1.096 55.824 54.840 -0.187 0.000 0.749 181 L CB -0.385 41.582 42.059 -0.153 0.000 0.901 181 L HN 0.214 nan 8.230 nan 0.000 0.433 182 E N 0.073 120.037 120.200 -0.392 0.000 2.038 182 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 182 E C 2.157 178.512 176.600 -0.408 0.000 1.000 182 E CA 1.474 57.591 56.400 -0.472 0.000 0.803 182 E CB -0.338 28.856 29.700 -0.843 0.000 0.750 182 E HN 0.349 nan 8.360 nan 0.000 0.448 183 F N 1.700 121.391 119.950 -0.430 0.000 2.134 183 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 183 F C 2.545 178.208 175.800 -0.228 0.000 1.097 183 F CA 0.919 58.715 58.000 -0.340 0.000 1.264 183 F CB -1.161 37.790 39.000 -0.080 0.000 1.001 183 F HN 0.085 nan 8.300 nan 0.000 0.479 184 Q N 0.099 119.916 119.800 0.028 0.000 2.020 184 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 184 Q C 2.412 178.385 176.000 -0.046 0.000 0.982 184 Q CA 2.199 58.007 55.803 0.008 0.000 0.838 184 Q CB -0.614 28.118 28.738 -0.010 0.000 0.899 184 Q HN 0.483 nan 8.270 nan 0.000 0.423 185 S N 0.729 116.370 115.700 -0.098 0.000 2.440 185 S HA -0.183 4.287 4.470 -0.000 0.000 0.240 185 S C 1.657 176.187 174.600 -0.116 0.000 1.014 185 S CA 1.157 59.298 58.200 -0.097 0.000 0.980 185 S CB -0.203 62.929 63.200 -0.113 0.000 0.775 185 S HN 0.292 nan 8.310 nan 0.000 0.499 186 R N 0.340 120.714 120.500 -0.210 0.000 2.362 186 R HA 0.270 4.610 4.340 -0.000 0.000 0.227 186 R C 0.169 176.458 176.300 -0.019 0.000 0.905 186 R CA 0.245 56.181 56.100 -0.274 0.000 1.067 186 R CB -0.063 29.689 30.300 -0.913 0.000 1.078 186 R HN 0.470 nan 8.270 nan 0.000 0.516 187 Q N -0.552 119.276 119.800 0.047 0.000 2.487 187 Q HA -0.170 4.170 4.340 -0.000 0.000 0.279 187 Q C -1.404 174.791 176.000 0.326 0.000 1.228 187 Q CA 0.338 56.234 55.803 0.154 0.000 0.873 187 Q CB -1.097 27.720 28.738 0.131 0.000 1.260 187 Q HN 0.282 nan 8.270 nan 0.000 0.471 188 W N 1.442 122.744 121.300 0.003 0.000 2.308 188 W HA 0.242 4.902 4.660 -0.000 0.000 0.311 188 W C 0.666 177.150 176.519 -0.059 0.000 1.088 188 W CA -0.540 56.767 57.345 -0.063 0.000 1.309 188 W CB 0.377 29.746 29.460 -0.152 0.000 1.229 188 W HN 0.240 nan 8.180 nan 0.000 0.427 189 D N 0.855 121.328 120.400 0.122 0.000 2.441 189 D HA 0.086 4.726 4.640 -0.000 0.000 0.210 189 D C 0.235 176.550 176.300 0.026 0.000 1.102 189 D CA 0.057 54.103 54.000 0.076 0.000 0.840 189 D CB 0.251 41.090 40.800 0.065 0.000 0.990 189 D HN 0.180 nan 8.370 nan 0.000 0.505 190 R N 0.337 120.807 120.500 -0.050 0.000 2.483 190 R HA 0.642 4.982 4.340 -0.000 0.000 0.303 190 R C -1.644 174.520 176.300 -0.227 0.000 0.987 190 R CA -0.678 55.373 56.100 -0.081 0.000 0.881 190 R CB 2.732 32.965 30.300 -0.111 0.000 1.177 190 R HN -0.120 nan 8.270 nan 0.000 0.451 191 V N 3.521 123.333 119.914 -0.171 0.000 2.612 191 V HA 0.239 4.359 4.120 -0.000 0.000 0.301 191 V C -0.714 175.328 176.094 -0.087 0.000 1.059 191 V CA -0.871 61.257 62.300 -0.288 0.000 0.886 191 V CB 2.211 33.696 31.823 -0.564 0.000 1.007 191 V HN 0.488 nan 8.190 nan 0.000 0.426 192 V N 5.602 125.457 119.914 -0.099 0.000 2.383 192 V HA 0.853 4.973 4.120 -0.000 0.000 0.275 192 V C 0.573 176.728 176.094 0.103 0.000 1.036 192 V CA -0.039 62.296 62.300 0.058 0.000 0.889 192 V CB 1.269 33.096 31.823 0.008 0.000 0.985 192 V HN 1.093 nan 8.190 nan 0.000 0.459 193 A N 6.601 129.553 122.820 0.220 0.000 2.327 193 A HA 0.716 5.036 4.320 -0.000 0.000 0.283 193 A C -0.863 176.917 177.584 0.327 0.000 1.127 193 A CA -0.405 51.798 52.037 0.277 0.000 0.810 193 A CB 0.581 19.782 19.000 0.336 0.000 1.066 193 A HN 1.076 nan 8.150 nan 0.000 0.492 194 F N 2.141 122.146 119.950 0.090 0.000 2.445 194 F HA 0.508 5.035 4.527 -0.000 0.000 0.348 194 F C 0.075 175.881 175.800 0.011 0.000 1.125 194 F CA -0.738 57.261 58.000 -0.001 0.000 0.983 194 F CB 1.577 40.544 39.000 -0.055 0.000 1.198 194 F HN 0.714 nan 8.300 nan 0.000 0.436 195 Q N 4.214 123.752 119.800 -0.436 0.000 2.306 195 Q HA 0.637 4.977 4.340 -0.000 0.000 0.241 195 Q C -0.921 174.531 176.000 -0.913 0.000 0.948 195 Q CA 0.094 55.636 55.803 -0.435 0.000 0.886 195 Q CB 1.578 30.299 28.738 -0.028 0.000 1.227 195 Q HN 0.795 nan 8.270 nan 0.000 0.457 196 T N 1.354 115.539 114.554 -0.615 0.000 2.927 196 T HA 0.467 4.817 4.350 -0.000 0.000 0.350 196 T C -1.258 173.276 174.700 -0.278 0.000 1.746 196 T CA -0.306 61.483 62.100 -0.518 0.000 1.081 196 T CB 0.448 68.981 68.868 -0.559 0.000 1.551 196 T HN 0.844 nan 8.240 nan 0.000 0.489 197 R N 1.668 122.070 120.500 -0.163 0.000 2.538 197 R HA 0.433 4.773 4.340 -0.000 0.000 0.372 197 R C 0.085 176.379 176.300 -0.011 0.000 0.950 197 R CA -0.589 55.473 56.100 -0.064 0.000 1.168 197 R CB 0.115 30.376 30.300 -0.065 0.000 1.542 197 R HN 0.386 nan 8.270 nan 0.000 0.536 198 N N 1.517 120.206 118.700 -0.018 0.000 2.381 198 N HA 0.430 5.170 4.740 -0.000 0.000 0.294 198 N C -2.867 172.625 175.510 -0.030 0.000 1.216 198 N CA -2.232 50.806 53.050 -0.021 0.000 0.803 198 N CB 2.222 40.694 38.487 -0.026 0.000 1.372 198 N HN -0.121 nan 8.380 nan 0.000 0.500 199 P HA 0.087 nan 4.420 nan 0.000 0.275 199 P C -1.080 175.967 177.300 -0.421 0.000 1.228 199 P CA 0.206 63.145 63.100 -0.269 0.000 0.786 199 P CB 0.722 32.247 31.700 -0.291 0.000 0.927 200 M N 3.036 122.493 119.600 -0.238 0.000 2.180 200 M HA 0.219 4.699 4.480 -0.000 0.000 0.358 200 M C 0.751 176.862 176.300 -0.315 0.000 1.233 200 M CA -0.017 55.118 55.300 -0.276 0.000 1.114 200 M CB 0.342 32.951 32.600 0.016 0.000 1.594 200 M HN 0.399 nan 8.290 nan 0.000 0.467 201 H N 1.379 120.555 119.070 0.177 0.000 2.810 201 H HA 0.430 4.986 4.556 -0.000 0.000 0.316 201 H C 0.641 175.912 175.328 -0.095 0.000 1.426 201 H CA -0.745 55.259 56.048 -0.073 0.000 1.413 201 H CB 0.802 30.241 29.762 -0.539 0.000 1.874 201 H HN 0.609 nan 8.280 nan 0.000 0.737 202 R N 0.259 120.672 120.500 -0.147 0.000 2.117 202 R HA -0.140 4.200 4.340 -0.000 0.000 0.243 202 R C 1.922 177.816 176.300 -0.677 0.000 1.143 202 R CA 1.466 57.389 56.100 -0.295 0.000 0.968 202 R CB -0.442 29.651 30.300 -0.345 0.000 0.863 202 R HN 0.633 nan 8.270 nan 0.000 0.444 203 A N 0.987 123.227 122.820 -0.967 0.000 1.883 203 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 203 A C 1.873 179.059 177.584 -0.663 0.000 1.186 203 A CA 1.465 52.860 52.037 -1.069 0.000 0.624 203 A CB -0.775 17.794 19.000 -0.718 0.000 0.822 203 A HN 0.381 nan 8.150 nan 0.000 0.444 204 H N -0.977 117.900 119.070 -0.321 0.000 2.321 204 H HA -0.113 4.443 4.556 -0.000 0.000 0.300 204 H C 2.289 177.362 175.328 -0.426 0.000 1.087 204 H CA 1.600 57.447 56.048 -0.335 0.000 1.319 204 H CB -0.327 29.326 29.762 -0.182 0.000 1.379 204 H HN 0.384 nan 8.280 nan 0.000 0.501 205 R N 1.472 121.852 120.500 -0.200 0.000 2.083 205 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 205 R C 1.858 177.959 176.300 -0.332 0.000 1.137 205 R CA 1.519 57.454 56.100 -0.275 0.000 0.951 205 R CB -0.079 30.094 30.300 -0.212 0.000 0.851 205 R HN 0.245 nan 8.270 nan 0.000 0.434 206 E N 0.871 120.887 120.200 -0.306 0.000 2.072 206 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 206 E C 1.952 178.391 176.600 -0.269 0.000 0.985 206 E CA 0.887 57.142 56.400 -0.241 0.000 0.801 206 E CB -0.413 29.175 29.700 -0.186 0.000 0.750 206 E HN 0.317 nan 8.360 nan 0.000 0.452 207 L N 0.571 121.557 121.223 -0.395 0.000 1.989 207 L HA -0.247 4.093 4.340 -0.000 0.000 0.211 207 L C 2.279 178.821 176.870 -0.548 0.000 1.071 207 L CA 2.305 56.777 54.840 -0.612 0.000 0.749 207 L CB -0.769 40.887 42.059 -0.671 0.000 0.890 207 L HN 0.354 nan 8.230 nan 0.000 0.431 208 T N -3.320 110.950 114.554 -0.473 0.000 2.788 208 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 208 T C 1.749 176.385 174.700 -0.107 0.000 1.044 208 T CA 1.415 63.326 62.100 -0.315 0.000 1.139 208 T CB -0.954 67.727 68.868 -0.312 0.000 0.867 208 T HN 0.229 nan 8.240 nan 0.000 0.454 209 V N 1.649 121.497 119.914 -0.109 0.000 2.358 209 V HA -0.085 4.035 4.120 -0.000 0.000 0.246 209 V C 2.991 179.071 176.094 -0.024 0.000 1.047 209 V CA 1.665 63.932 62.300 -0.055 0.000 1.035 209 V CB -0.679 31.073 31.823 -0.120 0.000 0.658 209 V HN 0.418 nan 8.190 nan 0.000 0.452 210 R N 0.303 120.794 120.500 -0.014 0.000 2.091 210 R HA -0.171 4.169 4.340 -0.000 0.000 0.238 210 R C 2.454 178.851 176.300 0.163 0.000 1.136 210 R CA 1.625 57.781 56.100 0.094 0.000 0.959 210 R CB -0.672 29.741 30.300 0.188 0.000 0.856 210 R HN 0.537 nan 8.270 nan 0.000 0.437 211 A N 1.193 124.143 122.820 0.216 0.000 1.883 211 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 211 A C 2.394 179.998 177.584 0.033 0.000 1.186 211 A CA 1.781 53.951 52.037 0.222 0.000 0.624 211 A CB -0.808 18.341 19.000 0.248 0.000 0.822 211 A HN 0.420 nan 8.150 nan 0.000 0.444 212 A N -0.623 122.187 122.820 -0.016 0.000 1.908 212 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 212 A C 2.275 179.802 177.584 -0.093 0.000 1.181 212 A CA 1.876 53.860 52.037 -0.089 0.000 0.627 212 A CB -0.463 18.490 19.000 -0.078 0.000 0.818 212 A HN 0.552 nan 8.150 nan 0.000 0.445 213 R N -0.713 119.760 120.500 -0.045 0.000 2.073 213 R HA -0.092 4.248 4.340 -0.000 0.000 0.229 213 R C 2.032 178.306 176.300 -0.043 0.000 1.120 213 R CA 1.265 57.340 56.100 -0.042 0.000 0.967 213 R CB -0.115 30.175 30.300 -0.016 0.000 0.862 213 R HN 0.507 nan 8.270 nan 0.000 0.436 214 E N 0.337 120.523 120.200 -0.023 0.000 2.031 214 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 214 E C 1.732 178.291 176.600 -0.067 0.000 0.994 214 E CA 1.506 57.886 56.400 -0.033 0.000 0.800 214 E CB -0.282 29.403 29.700 -0.025 0.000 0.752 214 E HN 0.397 nan 8.360 nan 0.000 0.447 215 A N 0.758 123.505 122.820 -0.122 0.000 2.208 215 A HA -0.052 4.268 4.320 -0.000 0.000 0.209 215 A C 0.627 178.054 177.584 -0.261 0.000 1.161 215 A CA 0.176 52.059 52.037 -0.256 0.000 0.782 215 A CB -0.251 18.399 19.000 -0.582 0.000 0.816 215 A HN 0.233 nan 8.150 nan 0.000 0.477 216 N N -1.233 117.359 118.700 -0.181 0.000 2.738 216 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 216 N C -0.181 175.196 175.510 -0.222 0.000 1.047 216 N CA 0.922 53.877 53.050 -0.159 0.000 0.707 216 N CB -1.272 37.150 38.487 -0.108 0.000 0.937 216 N HN 0.854 nan 8.380 nan 0.000 0.545 217 A N -0.113 122.537 122.820 -0.283 0.000 2.527 217 A HA 0.690 5.010 4.320 -0.000 0.000 0.293 217 A C -0.068 177.279 177.584 -0.395 0.000 1.117 217 A CA -0.742 51.084 52.037 -0.350 0.000 0.723 217 A CB 1.512 20.262 19.000 -0.418 0.000 1.313 217 A HN 0.040 nan 8.150 nan 0.000 0.411 218 K N 0.221 120.268 120.400 -0.588 0.000 2.168 218 K HA 0.440 4.760 4.320 -0.000 0.000 0.258 218 K C -0.390 175.903 176.600 -0.513 0.000 1.010 218 K CA -0.221 55.587 56.287 -0.800 0.000 0.929 218 K CB 1.137 32.531 32.500 -1.844 0.000 0.998 218 K HN 0.407 nan 8.250 nan 0.000 0.479 219 V N 2.899 122.586 119.914 -0.378 0.000 2.439 219 V HA 0.214 4.334 4.120 -0.000 0.000 0.282 219 V C -0.258 175.801 176.094 -0.057 0.000 1.039 219 V CA -0.882 61.307 62.300 -0.185 0.000 0.913 219 V CB 1.208 32.929 31.823 -0.171 0.000 0.983 219 V HN 0.477 nan 8.190 nan 0.000 0.460 220 L N 6.908 128.144 121.223 0.022 0.000 2.318 220 L HA 0.552 4.892 4.340 -0.000 0.000 0.277 220 L C -0.447 176.502 176.870 0.131 0.000 1.008 220 L CA -0.064 54.869 54.840 0.155 0.000 0.846 220 L CB 0.990 43.154 42.059 0.174 0.000 1.220 220 L HN 0.419 nan 8.230 nan 0.000 0.423 221 I N 4.997 125.612 120.570 0.074 0.000 2.347 221 I HA 0.120 4.290 4.170 -0.000 0.000 0.294 221 I C 0.322 176.470 176.117 0.052 0.000 1.090 221 I CA 0.332 61.646 61.300 0.024 0.000 1.314 221 I CB -0.185 37.731 38.000 -0.140 0.000 1.423 221 I HN 0.697 nan 8.210 nan 0.000 0.503 222 H N 7.835 126.849 119.070 -0.094 0.000 2.369 222 H HA 0.285 4.841 4.556 -0.000 0.000 0.228 222 H C -2.254 172.898 175.328 -0.294 0.000 1.548 222 H CA -1.815 54.129 56.048 -0.173 0.000 1.275 222 H CB 0.917 30.599 29.762 -0.133 0.000 1.549 222 H HN 0.363 nan 8.280 nan 0.000 0.542 223 P HA -0.025 nan 4.420 nan 0.000 0.272 223 P C -0.023 177.049 177.300 -0.381 0.000 1.223 223 P CA -0.205 62.639 63.100 -0.427 0.000 0.784 223 P CB 2.158 33.524 31.700 -0.557 0.000 0.923 224 V N 3.272 123.000 119.914 -0.311 0.000 2.461 224 V HA 0.077 4.197 4.120 -0.000 0.000 0.275 224 V C 1.408 177.403 176.094 -0.164 0.000 1.047 224 V CA 0.094 62.231 62.300 -0.272 0.000 0.955 224 V CB 0.978 32.664 31.823 -0.228 0.000 0.988 224 V HN 0.529 nan 8.190 nan 0.000 0.471 225 V N 1.520 121.307 119.914 -0.212 0.000 3.166 225 V HA 0.495 4.615 4.120 -0.000 0.000 0.332 225 V C 1.145 177.105 176.094 -0.223 0.000 1.434 225 V CA 0.833 62.982 62.300 -0.252 0.000 1.121 225 V CB 0.124 31.673 31.823 -0.456 0.000 1.062 225 V HN 0.721 nan 8.190 nan 0.000 0.489 226 G N 0.865 109.599 108.800 -0.111 0.000 2.615 226 G HA2 0.452 4.412 3.960 -0.000 0.000 0.213 226 G HA3 0.452 4.412 3.960 -0.000 0.000 0.213 226 G C 0.055 174.990 174.900 0.059 0.000 1.215 226 G CA 0.560 45.643 45.100 -0.028 0.000 0.843 226 G HN 0.455 nan 8.290 nan 0.000 0.571 227 L N 0.528 121.778 121.223 0.045 0.000 2.705 227 L HA 0.453 4.793 4.340 -0.000 0.000 0.260 227 L C 0.007 176.900 176.870 0.038 0.000 0.921 227 L CA -0.298 54.578 54.840 0.060 0.000 0.948 227 L CB 1.996 44.090 42.059 0.058 0.000 1.427 227 L HN 0.502 nan 8.230 nan 0.000 0.432 228 T N 0.008 114.582 114.554 0.033 0.000 2.602 228 T HA 0.416 4.766 4.350 -0.000 0.000 0.235 228 T C -0.189 174.518 174.700 0.013 0.000 0.882 228 T CA -0.645 61.465 62.100 0.018 0.000 1.123 228 T CB 0.734 69.606 68.868 0.006 0.000 1.662 228 T HN 0.515 nan 8.240 nan 0.000 0.536 229 K N 2.161 122.562 120.400 0.003 0.000 2.298 229 K HA 0.365 4.685 4.320 -0.000 0.000 0.280 229 K C -2.554 174.054 176.600 0.012 0.000 1.032 229 K CA -1.924 54.360 56.287 -0.005 0.000 0.958 229 K CB 0.239 32.730 32.500 -0.014 0.000 0.978 229 K HN 0.233 nan 8.250 nan 0.000 0.472 230 P HA -0.010 nan 4.420 nan 0.000 0.265 230 P C 0.132 177.450 177.300 0.030 0.000 1.193 230 P CA 0.858 63.978 63.100 0.033 0.000 0.765 230 P CB 0.689 32.416 31.700 0.045 0.000 0.823 231 G N 1.646 110.462 108.800 0.028 0.000 2.175 231 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 231 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 231 G C 0.203 175.117 174.900 0.022 0.000 0.982 231 G CA -0.235 44.881 45.100 0.027 0.000 0.641 231 G HN 0.477 nan 8.290 nan 0.000 0.527 232 D N 0.422 120.833 120.400 0.017 0.000 2.363 232 D HA 0.369 5.009 4.640 -0.000 0.000 0.240 232 D C 1.427 177.728 176.300 0.002 0.000 1.236 232 D CA -0.265 53.743 54.000 0.013 0.000 0.927 232 D CB 0.368 41.172 40.800 0.008 0.000 1.150 232 D HN 0.133 nan 8.370 nan 0.000 0.458 233 I N 1.844 122.411 120.570 -0.004 0.000 2.588 233 I HA -0.012 4.158 4.170 -0.000 0.000 0.283 233 I C 0.992 177.085 176.117 -0.040 0.000 1.119 233 I CA -0.361 60.928 61.300 -0.019 0.000 1.419 233 I CB -0.068 37.914 38.000 -0.030 0.000 1.394 233 I HN 0.408 nan 8.210 nan 0.000 0.562 234 D N 6.372 126.741 120.400 -0.051 0.000 2.406 234 D HA -0.128 4.512 4.640 -0.000 0.000 0.234 234 D C 1.248 177.473 176.300 -0.125 0.000 1.196 234 D CA 0.078 54.009 54.000 -0.115 0.000 0.881 234 D CB 0.570 41.333 40.800 -0.061 0.000 1.205 234 D HN 0.715 nan 8.370 nan 0.000 0.453 235 H N 0.953 119.961 119.070 -0.103 0.000 2.457 235 H HA -0.111 4.445 4.556 -0.000 0.000 0.294 235 H C 1.111 176.328 175.328 -0.185 0.000 1.064 235 H CA 1.080 57.023 56.048 -0.175 0.000 1.330 235 H CB -0.568 29.073 29.762 -0.202 0.000 1.395 235 H HN 0.559 nan 8.280 nan 0.000 0.541 236 H N 1.331 120.530 119.070 0.216 0.000 2.319 236 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 236 H C 2.274 177.651 175.328 0.081 0.000 1.092 236 H CA 2.336 58.547 56.048 0.272 0.000 1.302 236 H CB -0.267 29.594 29.762 0.165 0.000 1.373 236 H HN 0.299 nan 8.280 nan 0.000 0.497 237 T N 0.746 115.363 114.554 0.104 0.000 2.674 237 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 237 T C 1.983 176.587 174.700 -0.160 0.000 1.039 237 T CA 1.353 63.444 62.100 -0.015 0.000 1.150 237 T CB -0.139 68.712 68.868 -0.028 0.000 0.864 237 T HN 0.326 nan 8.240 nan 0.000 0.427 238 R N 0.386 120.739 120.500 -0.245 0.000 2.091 238 R HA -0.066 4.274 4.340 -0.000 0.000 0.238 238 R C 2.526 178.301 176.300 -0.874 0.000 1.136 238 R CA 1.099 56.834 56.100 -0.609 0.000 0.959 238 R CB -0.873 29.137 30.300 -0.482 0.000 0.856 238 R HN 0.248 nan 8.270 nan 0.000 0.437 239 V N 1.041 120.703 119.914 -0.419 0.000 2.332 239 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 239 V C 2.384 178.327 176.094 -0.251 0.000 1.055 239 V CA 1.756 63.861 62.300 -0.326 0.000 1.038 239 V CB -0.508 30.985 31.823 -0.551 0.000 0.651 239 V HN 0.322 nan 8.190 nan 0.000 0.450 240 R N -0.585 119.817 120.500 -0.163 0.000 2.105 240 R HA -0.135 4.205 4.340 -0.000 0.000 0.239 240 R C 2.243 178.457 176.300 -0.143 0.000 1.135 240 R CA 1.490 57.535 56.100 -0.092 0.000 0.967 240 R CB -0.533 29.749 30.300 -0.030 0.000 0.861 240 R HN 0.416 nan 8.270 nan 0.000 0.442 241 V N 0.169 119.928 119.914 -0.258 0.000 2.295 241 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 241 V C 1.908 177.894 176.094 -0.179 0.000 1.049 241 V CA 1.735 63.882 62.300 -0.256 0.000 1.024 241 V CB -0.602 30.996 31.823 -0.376 0.000 0.648 241 V HN 0.340 nan 8.190 nan 0.000 0.447 242 Y N 0.113 120.340 120.300 -0.120 0.000 2.145 242 Y HA -0.312 4.238 4.550 -0.000 0.000 0.286 242 Y C 2.813 178.637 175.900 -0.127 0.000 1.145 242 Y CA 1.523 59.547 58.100 -0.127 0.000 1.148 242 Y CB -0.367 38.007 38.460 -0.145 0.000 0.981 242 Y HN 0.230 nan 8.280 nan 0.000 0.507 243 Q N -0.123 119.684 119.800 0.012 0.000 2.181 243 Q HA -0.252 4.088 4.340 -0.000 0.000 0.205 243 Q C 2.034 178.008 176.000 -0.042 0.000 0.980 243 Q CA 1.743 57.523 55.803 -0.039 0.000 0.862 243 Q CB -0.081 28.625 28.738 -0.054 0.000 0.905 243 Q HN 0.356 nan 8.270 nan 0.000 0.429 244 E N 0.908 121.078 120.200 -0.051 0.000 2.046 244 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 244 E C 1.579 178.118 176.600 -0.101 0.000 0.982 244 E CA 0.786 57.147 56.400 -0.065 0.000 0.800 244 E CB -0.183 29.477 29.700 -0.066 0.000 0.756 244 E HN 0.345 nan 8.360 nan 0.000 0.449 245 I N 0.003 120.509 120.570 -0.108 0.000 2.546 245 I HA -0.143 4.027 4.170 -0.000 0.000 0.255 245 I C 2.002 178.102 176.117 -0.028 0.000 1.163 245 I CA 0.416 61.604 61.300 -0.186 0.000 1.457 245 I CB 0.031 37.949 38.000 -0.137 0.000 1.092 245 I HN 0.197 nan 8.210 nan 0.000 0.434 246 I N 1.173 121.757 120.570 0.024 0.000 2.423 246 I HA -0.311 3.859 4.170 -0.000 0.000 0.254 246 I C 2.086 178.264 176.117 0.102 0.000 1.151 246 I CA 1.703 63.027 61.300 0.040 0.000 1.421 246 I CB -0.296 37.651 38.000 -0.089 0.000 1.079 246 I HN 0.086 nan 8.210 nan 0.000 0.431 247 K N 0.014 120.426 120.400 0.019 0.000 2.439 247 K HA 0.006 4.326 4.320 -0.000 0.000 0.197 247 K C 1.274 177.878 176.600 0.007 0.000 1.041 247 K CA 0.360 56.653 56.287 0.009 0.000 0.970 247 K CB 0.015 32.500 32.500 -0.025 0.000 0.773 247 K HN 0.240 nan 8.250 nan 0.000 0.479 248 R N 0.183 120.663 120.500 -0.033 0.000 2.334 248 R HA 0.105 4.445 4.340 -0.000 0.000 0.220 248 R C -0.065 176.171 176.300 -0.107 0.000 0.917 248 R CA 0.213 56.242 56.100 -0.117 0.000 1.073 248 R CB -0.338 29.735 30.300 -0.379 0.000 1.056 248 R HN 0.147 nan 8.270 nan 0.000 0.506 249 Y N 1.960 122.216 120.300 -0.074 0.000 2.376 249 Y HA 0.306 4.856 4.550 -0.000 0.000 0.325 249 Y C -1.572 174.313 175.900 -0.024 0.000 1.199 249 Y CA -2.711 55.360 58.100 -0.050 0.000 1.206 249 Y CB 0.438 38.866 38.460 -0.054 0.000 1.229 249 Y HN -0.057 nan 8.280 nan 0.000 0.480 250 P HA -0.003 nan 4.420 nan 0.000 0.269 250 P C -1.044 176.315 177.300 0.098 0.000 1.209 250 P CA -0.217 62.932 63.100 0.081 0.000 0.776 250 P CB 0.554 32.285 31.700 0.051 0.000 0.876 251 N N 1.121 119.866 118.700 0.075 0.000 2.301 251 N HA 0.214 4.954 4.740 -0.000 0.000 0.267 251 N C 1.424 176.994 175.510 0.099 0.000 1.304 251 N CA 1.817 54.913 53.050 0.077 0.000 0.851 251 N CB -0.633 37.889 38.487 0.059 0.000 1.070 251 N HN 0.776 nan 8.380 nan 0.000 0.483 252 G N 1.589 110.466 108.800 0.129 0.000 2.198 252 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.257 252 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.257 252 G C 0.497 175.540 174.900 0.239 0.000 1.042 252 G CA 0.264 45.490 45.100 0.209 0.000 0.791 252 G HN 0.659 nan 8.290 nan 0.000 0.502 253 I N -0.958 119.699 120.570 0.146 0.000 4.139 253 I HA 0.604 4.774 4.170 -0.000 0.000 0.320 253 I C 1.169 177.252 176.117 -0.057 0.000 1.290 253 I CA 0.777 62.081 61.300 0.007 0.000 1.253 253 I CB 0.295 38.308 38.000 0.022 0.000 1.122 253 I HN 0.431 nan 8.210 nan 0.000 0.421 254 A N 0.185 123.035 122.820 0.051 0.000 2.413 254 A HA 0.619 4.939 4.320 -0.000 0.000 0.307 254 A C -1.635 176.090 177.584 0.235 0.000 1.087 254 A CA -0.364 51.660 52.037 -0.022 0.000 0.750 254 A CB 1.234 19.919 19.000 -0.525 0.000 1.296 254 A HN 0.179 nan 8.150 nan 0.000 0.423 255 F N 1.232 121.268 119.950 0.143 0.000 2.565 255 F HA 0.677 5.204 4.527 -0.000 0.000 0.313 255 F C -1.226 174.596 175.800 0.038 0.000 1.091 255 F CA -0.981 57.107 58.000 0.148 0.000 0.915 255 F CB 1.867 41.051 39.000 0.306 0.000 1.208 255 F HN 0.551 nan 8.300 nan 0.000 0.453 256 L N 4.603 125.559 121.223 -0.446 0.000 2.322 256 L HA 0.724 5.064 4.340 -0.000 0.000 0.281 256 L C -1.041 175.764 176.870 -0.108 0.000 1.014 256 L CA -0.023 54.691 54.840 -0.211 0.000 0.815 256 L CB 1.553 43.453 42.059 -0.265 0.000 1.247 256 L HN 0.542 nan 8.230 nan 0.000 0.421 257 S N 4.886 120.657 115.700 0.118 0.000 2.572 257 S HA 0.634 5.104 4.470 -0.000 0.000 0.274 257 S C -1.148 173.508 174.600 0.093 0.000 1.150 257 S CA -0.699 57.611 58.200 0.183 0.000 0.944 257 S CB 0.744 64.134 63.200 0.317 0.000 1.071 257 S HN 0.604 nan 8.310 nan 0.000 0.479 258 L N 4.218 125.417 121.223 -0.039 0.000 2.305 258 L HA 0.511 4.851 4.340 -0.000 0.000 0.281 258 L C -0.438 176.284 176.870 -0.246 0.000 1.085 258 L CA -0.784 53.952 54.840 -0.174 0.000 0.813 258 L CB 0.894 42.825 42.059 -0.214 0.000 1.157 258 L HN 0.503 nan 8.230 nan 0.000 0.436 259 L N 7.451 128.404 121.223 -0.450 0.000 2.276 259 L HA 0.445 4.785 4.340 -0.000 0.000 0.286 259 L C -2.025 174.618 176.870 -0.379 0.000 1.024 259 L CA -1.574 52.923 54.840 -0.572 0.000 0.826 259 L CB 1.137 42.560 42.059 -1.059 0.000 1.211 259 L HN 0.271 nan 8.230 nan 0.000 0.422 260 P HA 0.063 nan 4.420 nan 0.000 0.226 260 P C -0.432 176.787 177.300 -0.135 0.000 1.758 260 P CA -0.215 62.769 63.100 -0.194 0.000 0.896 260 P CB 0.075 31.689 31.700 -0.143 0.000 1.784 261 L N 0.606 121.719 121.223 -0.184 0.000 2.375 261 L HA 0.600 4.940 4.340 -0.000 0.000 0.271 261 L C -0.071 176.792 176.870 -0.011 0.000 1.107 261 L CA -0.506 54.264 54.840 -0.116 0.000 0.806 261 L CB 1.097 43.002 42.059 -0.256 0.000 1.146 261 L HN 0.048 nan 8.230 nan 0.000 0.447 262 A N 6.353 129.249 122.820 0.128 0.000 2.412 262 A HA 0.518 4.838 4.320 -0.000 0.000 0.334 262 A C 0.006 177.740 177.584 0.250 0.000 1.419 262 A CA -0.647 51.481 52.037 0.152 0.000 0.930 262 A CB -0.282 18.815 19.000 0.162 0.000 1.149 262 A HN 0.827 nan 8.150 nan 0.000 0.515 263 M N 0.592 120.299 119.600 0.178 0.000 2.219 263 M HA 0.166 4.646 4.480 -0.000 0.000 0.307 263 M C 1.176 177.598 176.300 0.204 0.000 1.116 263 M CA 0.411 55.876 55.300 0.275 0.000 1.181 263 M CB 0.402 33.105 32.600 0.171 0.000 1.410 263 M HN 0.635 nan 8.290 nan 0.000 0.454 264 R N 0.385 121.024 120.500 0.232 0.000 2.509 264 R HA 0.298 4.638 4.340 -0.000 0.000 0.297 264 R C -0.465 175.872 176.300 0.063 0.000 0.951 264 R CA 0.160 56.292 56.100 0.053 0.000 1.103 264 R CB 0.441 30.764 30.300 0.039 0.000 1.283 264 R HN 0.694 nan 8.270 nan 0.000 0.534 265 M N -0.067 119.586 119.600 0.088 0.000 2.461 265 M HA -0.199 4.281 4.480 -0.000 0.000 0.203 265 M C 0.229 176.582 176.300 0.088 0.000 0.428 265 M CA 0.675 55.979 55.300 0.006 0.000 0.509 265 M CB -2.871 29.646 32.600 -0.138 0.000 1.851 265 M HN 0.035 nan 8.290 nan 0.000 0.834 266 S N -0.130 115.673 115.700 0.171 0.000 2.699 266 S HA 0.447 4.917 4.470 -0.000 0.000 0.251 266 S C 1.650 176.172 174.600 -0.129 0.000 1.179 266 S CA 0.796 59.177 58.200 0.302 0.000 1.200 266 S CB -0.442 62.984 63.200 0.376 0.000 0.848 266 S HN 0.961 nan 8.310 nan 0.000 0.472 267 G N 3.132 111.551 108.800 -0.635 0.000 2.667 267 G HA2 -0.490 3.470 3.960 -0.000 0.000 0.379 267 G HA3 -0.490 3.470 3.960 -0.000 0.000 0.379 267 G C 0.749 175.390 174.900 -0.431 0.000 1.236 267 G CA 1.199 45.686 45.100 -1.021 0.000 0.946 267 G HN 0.678 nan 8.290 nan 0.000 0.573 268 D N 0.321 120.520 120.400 -0.334 0.000 2.116 268 D HA -0.146 4.494 4.640 -0.000 0.000 0.193 268 D C 2.304 178.598 176.300 -0.009 0.000 0.998 268 D CA 2.007 55.974 54.000 -0.054 0.000 0.836 268 D CB -0.683 40.162 40.800 0.075 0.000 0.951 268 D HN 0.622 nan 8.370 nan 0.000 0.449 269 R N 0.194 120.710 120.500 0.027 0.000 2.083 269 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 269 R C 2.482 178.771 176.300 -0.019 0.000 1.137 269 R CA 1.557 57.668 56.100 0.018 0.000 0.951 269 R CB -0.387 29.921 30.300 0.013 0.000 0.851 269 R HN 0.417 nan 8.270 nan 0.000 0.434 270 E N 0.575 120.766 120.200 -0.015 0.000 2.110 270 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 270 E C 1.877 178.354 176.600 -0.206 0.000 0.988 270 E CA 1.281 57.685 56.400 0.007 0.000 0.804 270 E CB -0.043 29.640 29.700 -0.028 0.000 0.745 270 E HN 0.355 nan 8.360 nan 0.000 0.458 271 A N 0.323 123.034 122.820 -0.181 0.000 1.883 271 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 271 A C 2.438 179.972 177.584 -0.083 0.000 1.186 271 A CA 1.779 53.684 52.037 -0.220 0.000 0.624 271 A CB -0.898 17.953 19.000 -0.249 0.000 0.822 271 A HN 0.230 nan 8.150 nan 0.000 0.444 272 V N -1.961 117.932 119.914 -0.035 0.000 2.287 272 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 272 V C 2.221 178.252 176.094 -0.106 0.000 1.053 272 V CA 2.055 64.338 62.300 -0.028 0.000 1.027 272 V CB -1.080 30.747 31.823 0.006 0.000 0.646 272 V HN 0.868 nan 8.190 nan 0.000 0.447 273 W N 0.924 122.010 121.300 -0.357 0.000 2.335 273 W HA -0.194 4.466 4.660 -0.000 0.000 0.311 273 W C 2.562 178.907 176.519 -0.290 0.000 1.213 273 W CA 2.035 59.091 57.345 -0.481 0.000 1.274 273 W CB -0.897 28.286 29.460 -0.460 0.000 1.148 273 W HN 0.412 nan 8.180 nan 0.000 0.498 274 H N -0.909 117.976 119.070 -0.307 0.000 2.352 274 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 274 H C 2.290 177.106 175.328 -0.854 0.000 1.097 274 H CA 1.236 56.964 56.048 -0.533 0.000 1.311 274 H CB -0.398 29.265 29.762 -0.165 0.000 1.377 274 H HN 0.210 nan 8.280 nan 0.000 0.504 275 A N 1.128 123.541 122.820 -0.677 0.000 1.902 275 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 275 A C 2.414 179.753 177.584 -0.407 0.000 1.181 275 A CA 1.307 52.913 52.037 -0.719 0.000 0.623 275 A CB -0.674 18.183 19.000 -0.238 0.000 0.818 275 A HN 0.304 nan 8.150 nan 0.000 0.443 276 I N -0.420 119.943 120.570 -0.345 0.000 2.226 276 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 276 I C 2.302 178.321 176.117 -0.164 0.000 1.100 276 I CA 1.362 62.468 61.300 -0.323 0.000 1.374 276 I CB -0.336 37.356 38.000 -0.513 0.000 1.057 276 I HN 0.315 nan 8.210 nan 0.000 0.413 277 I N 0.203 120.649 120.570 -0.208 0.000 2.179 277 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 277 I C 2.643 178.817 176.117 0.095 0.000 1.088 277 I CA 1.268 62.554 61.300 -0.024 0.000 1.357 277 I CB -0.296 37.591 38.000 -0.188 0.000 1.051 277 I HN 0.102 nan 8.210 nan 0.000 0.409 278 R N 0.826 121.258 120.500 -0.114 0.000 2.115 278 R HA -0.136 4.204 4.340 -0.000 0.000 0.230 278 R C 2.139 178.487 176.300 0.079 0.000 1.111 278 R CA 1.095 57.189 56.100 -0.010 0.000 0.976 278 R CB -0.429 29.773 30.300 -0.164 0.000 0.870 278 R HN 0.287 nan 8.270 nan 0.000 0.445 279 K N 0.322 120.731 120.400 0.014 0.000 2.002 279 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 279 K C 1.428 178.088 176.600 0.099 0.000 1.048 279 K CA 1.624 57.948 56.287 0.060 0.000 0.930 279 K CB -0.073 32.452 32.500 0.041 0.000 0.714 279 K HN 0.082 nan 8.250 nan 0.000 0.438 280 N N 0.220 118.983 118.700 0.105 0.000 2.137 280 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 280 N C 1.349 176.850 175.510 -0.015 0.000 1.017 280 N CA 1.300 54.384 53.050 0.057 0.000 0.859 280 N CB -0.385 38.135 38.487 0.055 0.000 1.002 280 N HN 0.317 nan 8.380 nan 0.000 0.428 281 Y N -0.227 120.078 120.300 0.008 0.000 2.578 281 Y HA 0.121 4.671 4.550 -0.000 0.000 0.297 281 Y C 1.773 177.666 175.900 -0.012 0.000 1.176 281 Y CA 0.603 58.683 58.100 -0.033 0.000 1.315 281 Y CB -0.013 38.412 38.460 -0.058 0.000 1.031 281 Y HN 0.206 nan 8.280 nan 0.000 0.524 282 G N -0.820 108.088 108.800 0.180 0.000 2.179 282 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 282 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 282 G C 0.347 175.443 174.900 0.326 0.000 0.990 282 G CA -0.242 45.008 45.100 0.251 0.000 0.646 282 G HN 0.558 nan 8.290 nan 0.000 0.517 283 A N 0.519 123.493 122.820 0.256 0.000 2.407 283 A HA 0.729 5.049 4.320 -0.000 0.000 0.248 283 A C 1.505 179.168 177.584 0.133 0.000 1.082 283 A CA 1.195 53.337 52.037 0.176 0.000 0.785 283 A CB 0.620 19.725 19.000 0.174 0.000 1.020 283 A HN 1.588 nan 8.150 nan 0.000 0.489 284 S N 0.383 116.165 115.700 0.137 0.000 2.512 284 S HA 0.267 4.737 4.470 -0.000 0.000 0.216 284 S C 0.206 174.805 174.600 -0.001 0.000 1.006 284 S CA 0.186 58.452 58.200 0.109 0.000 0.915 284 S CB -0.161 63.145 63.200 0.178 0.000 0.824 284 S HN 0.788 nan 8.310 nan 0.000 0.497 285 H N -0.363 118.753 119.070 0.077 0.000 2.930 285 H HA 0.686 5.242 4.556 -0.000 0.000 0.371 285 H C -1.944 173.524 175.328 0.233 0.000 1.169 285 H CA -0.811 55.307 56.048 0.116 0.000 1.157 285 H CB 1.495 31.295 29.762 0.062 0.000 1.789 285 H HN 0.225 nan 8.280 nan 0.000 0.547 286 F N 2.524 122.572 119.950 0.162 0.000 2.557 286 F HA 0.510 5.037 4.527 -0.000 0.000 0.316 286 F C -1.247 174.665 175.800 0.186 0.000 1.141 286 F CA -0.894 57.197 58.000 0.151 0.000 0.922 286 F CB 0.860 39.915 39.000 0.093 0.000 1.194 286 F HN 0.460 nan 8.300 nan 0.000 0.443 287 I N 5.868 126.224 120.570 -0.357 0.000 2.575 287 I HA 0.375 4.545 4.170 -0.000 0.000 0.285 287 I C -0.678 175.193 176.117 -0.410 0.000 1.085 287 I CA -0.586 60.616 61.300 -0.163 0.000 1.403 287 I CB 1.185 39.271 38.000 0.143 0.000 1.409 287 I HN 0.318 nan 8.210 nan 0.000 0.557 288 V N 5.641 125.541 119.914 -0.023 0.000 2.501 288 V HA 0.368 4.488 4.120 -0.000 0.000 0.277 288 V C 0.488 176.731 176.094 0.250 0.000 1.004 288 V CA -0.480 61.852 62.300 0.053 0.000 0.862 288 V CB 1.026 32.810 31.823 -0.066 0.000 1.035 288 V HN 0.976 nan 8.190 nan 0.000 0.448 289 G N 3.094 112.086 108.800 0.321 0.000 2.630 289 G HA2 0.393 4.353 3.960 -0.000 0.000 0.223 289 G HA3 0.393 4.353 3.960 -0.000 0.000 0.223 289 G C -0.096 174.971 174.900 0.278 0.000 1.434 289 G CA -0.710 44.590 45.100 0.335 0.000 1.057 289 G HN 0.557 nan 8.290 nan 0.000 0.570 290 R N 0.022 120.647 120.500 0.209 0.000 2.491 290 R HA 0.147 4.487 4.340 -0.000 0.000 0.283 290 R C -0.241 176.040 176.300 -0.031 0.000 1.072 290 R CA 0.256 56.342 56.100 -0.023 0.000 1.048 290 R CB 0.165 30.442 30.300 -0.038 0.000 0.983 290 R HN 0.571 nan 8.270 nan 0.000 0.450 291 D N 1.906 122.238 120.400 -0.114 0.000 2.697 291 D HA -0.264 4.376 4.640 -0.000 0.000 0.235 291 D C -0.761 175.555 176.300 0.027 0.000 1.167 291 D CA 0.779 54.765 54.000 -0.023 0.000 0.656 291 D CB -1.013 39.787 40.800 -0.000 0.000 1.025 291 D HN 0.501 nan 8.370 nan 0.000 0.419 292 H N 0.726 119.775 119.070 -0.035 0.000 3.004 292 H HA 0.314 4.870 4.556 -0.000 0.000 0.316 292 H C 1.356 176.633 175.328 -0.085 0.000 1.014 292 H CA 1.365 57.398 56.048 -0.025 0.000 1.454 292 H CB 0.202 29.967 29.762 0.005 0.000 1.472 292 H HN 0.460 nan 8.280 nan 0.000 0.571 293 A N 3.215 125.951 122.820 -0.139 0.000 2.847 293 A HA -0.178 4.142 4.320 -0.000 0.000 0.263 293 A C 1.023 178.538 177.584 -0.114 0.000 1.391 293 A CA 1.154 53.147 52.037 -0.072 0.000 0.866 293 A CB -1.903 17.091 19.000 -0.010 0.000 1.057 293 A HN 0.971 nan 8.150 nan 0.000 0.673 294 G N -0.641 108.108 108.800 -0.085 0.000 2.377 294 G HA2 0.565 4.525 3.960 -0.000 0.000 0.299 294 G HA3 0.565 4.525 3.960 -0.000 0.000 0.299 294 G C -1.124 173.803 174.900 0.046 0.000 1.150 294 G CA -0.774 44.317 45.100 -0.015 0.000 0.847 294 G HN 0.294 nan 8.290 nan 0.000 0.501 295 P HA 0.179 nan 4.420 nan 0.000 0.253 295 P C 1.211 178.668 177.300 0.262 0.000 1.459 295 P CA 0.682 63.764 63.100 -0.029 0.000 0.908 295 P CB 0.172 31.570 31.700 -0.504 0.000 1.470 296 G N 1.476 110.469 108.800 0.323 0.000 2.531 296 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.274 296 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.274 296 G C -0.627 174.473 174.900 0.332 0.000 1.159 296 G CA -0.192 45.084 45.100 0.294 0.000 0.969 296 G HN 0.388 nan 8.290 nan 0.000 0.554 297 K N 1.261 121.741 120.400 0.134 0.000 2.238 297 K HA 0.474 4.794 4.320 -0.000 0.000 0.239 297 K C 0.560 176.975 176.600 -0.309 0.000 0.987 297 K CA -0.233 55.942 56.287 -0.187 0.000 0.857 297 K CB 1.540 33.981 32.500 -0.097 0.000 1.154 297 K HN 0.893 nan 8.250 nan 0.000 0.439 298 N N -1.260 117.060 118.700 -0.633 0.000 2.405 298 N HA 0.015 4.755 4.740 -0.000 0.000 0.269 298 N C 0.798 176.242 175.510 -0.110 0.000 1.249 298 N CA -0.434 52.402 53.050 -0.357 0.000 0.974 298 N CB 0.942 39.170 38.487 -0.433 0.000 1.204 298 N HN 0.536 nan 8.380 nan 0.000 0.565 299 S N -0.287 115.402 115.700 -0.018 0.000 2.440 299 S HA -0.186 4.284 4.470 -0.000 0.000 0.240 299 S C 1.166 175.755 174.600 -0.017 0.000 1.014 299 S CA 0.908 59.111 58.200 0.005 0.000 0.980 299 S CB -0.442 62.776 63.200 0.030 0.000 0.775 299 S HN 0.605 nan 8.310 nan 0.000 0.499 300 K N 0.649 121.021 120.400 -0.047 0.000 2.444 300 K HA 0.284 4.604 4.320 -0.000 0.000 0.193 300 K C 1.396 177.965 176.600 -0.052 0.000 1.024 300 K CA 0.371 56.632 56.287 -0.043 0.000 1.077 300 K CB -0.192 32.279 32.500 -0.048 0.000 0.833 300 K HN 0.546 nan 8.250 nan 0.000 0.517 301 G N 1.603 110.361 108.800 -0.070 0.000 2.176 301 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.253 301 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.253 301 G C 0.061 174.910 174.900 -0.084 0.000 0.979 301 G CA 0.237 45.301 45.100 -0.059 0.000 0.641 301 G HN 0.271 nan 8.290 nan 0.000 0.530 302 V N 0.641 120.474 119.914 -0.134 0.000 2.567 302 V HA 0.627 4.747 4.120 -0.000 0.000 0.289 302 V C -0.042 175.910 176.094 -0.238 0.000 1.049 302 V CA -0.845 61.369 62.300 -0.144 0.000 0.969 302 V CB 1.238 32.985 31.823 -0.126 0.000 0.995 302 V HN 0.174 nan 8.190 nan 0.000 0.471 303 D N 4.746 125.063 120.400 -0.139 0.000 2.455 303 D HA 0.101 4.741 4.640 -0.000 0.000 0.241 303 D C 0.586 176.810 176.300 -0.126 0.000 1.138 303 D CA 0.554 54.499 54.000 -0.091 0.000 0.877 303 D CB 0.811 41.621 40.800 0.018 0.000 1.187 303 D HN 0.629 nan 8.370 nan 0.000 0.451 304 F N 0.664 120.626 119.950 0.020 0.000 2.259 304 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 304 F C 0.482 176.067 175.800 -0.359 0.000 1.088 304 F CA 0.897 58.830 58.000 -0.112 0.000 1.358 304 F CB 0.115 39.104 39.000 -0.019 0.000 1.040 304 F HN 0.310 nan 8.300 nan 0.000 0.505 305 Y N -1.327 119.117 120.300 0.240 0.000 2.588 305 Y HA 0.533 5.083 4.550 -0.000 0.000 0.343 305 Y C 0.520 176.477 175.900 0.094 0.000 1.065 305 Y CA -2.001 56.195 58.100 0.160 0.000 1.038 305 Y CB 0.546 39.101 38.460 0.158 0.000 1.297 305 Y HN -0.213 nan 8.280 nan 0.000 0.467 306 G N 1.867 110.812 108.800 0.241 0.000 2.491 306 G HA2 0.261 4.221 3.960 -0.000 0.000 0.242 306 G HA3 0.261 4.221 3.960 -0.000 0.000 0.242 306 G C -1.583 173.364 174.900 0.080 0.000 1.266 306 G CA -1.128 44.057 45.100 0.142 0.000 0.844 306 G HN 0.486 nan 8.290 nan 0.000 0.571 307 P HA -0.144 nan 4.420 nan 0.000 0.224 307 P C -0.143 176.752 177.300 -0.676 0.000 1.142 307 P CA 1.407 64.296 63.100 -0.352 0.000 0.778 307 P CB 0.049 31.480 31.700 -0.447 0.000 0.764 308 Y N -1.638 118.732 120.300 0.115 0.000 2.738 308 Y HA 0.181 4.731 4.550 -0.000 0.000 0.249 308 Y C 1.491 177.444 175.900 0.089 0.000 1.153 308 Y CA -0.524 57.634 58.100 0.097 0.000 1.165 308 Y CB 0.086 38.593 38.460 0.078 0.000 1.235 308 Y HN -0.202 nan 8.280 nan 0.000 0.559 309 D N 1.084 121.592 120.400 0.180 0.000 2.117 309 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 309 D C 2.253 178.628 176.300 0.125 0.000 0.987 309 D CA 1.557 55.657 54.000 0.167 0.000 0.829 309 D CB -0.100 40.833 40.800 0.222 0.000 0.961 309 D HN 0.375 nan 8.370 nan 0.000 0.460 310 A N 0.714 123.590 122.820 0.093 0.000 1.883 310 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 310 A C 2.135 179.755 177.584 0.061 0.000 1.186 310 A CA 1.770 53.834 52.037 0.045 0.000 0.624 310 A CB -0.745 18.265 19.000 0.016 0.000 0.822 310 A HN 0.233 nan 8.150 nan 0.000 0.444 311 Q N -0.734 119.135 119.800 0.115 0.000 2.084 311 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 311 Q C 2.065 178.108 176.000 0.072 0.000 0.978 311 Q CA 1.765 57.634 55.803 0.109 0.000 0.844 311 Q CB -0.167 28.679 28.738 0.181 0.000 0.898 311 Q HN 0.803 nan 8.270 nan 0.000 0.426 312 E N 0.503 120.752 120.200 0.082 0.000 2.051 312 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 312 E C 2.047 178.643 176.600 -0.007 0.000 0.991 312 E CA 0.743 57.167 56.400 0.040 0.000 0.799 312 E CB -0.117 29.617 29.700 0.056 0.000 0.748 312 E HN 0.287 nan 8.360 nan 0.000 0.449 313 L N 0.898 122.122 121.223 0.002 0.000 2.012 313 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 313 L C 2.413 179.257 176.870 -0.044 0.000 1.073 313 L CA 1.174 55.982 54.840 -0.054 0.000 0.748 313 L CB -0.204 41.875 42.059 0.032 0.000 0.891 313 L HN 0.099 nan 8.230 nan 0.000 0.431 314 V N -0.006 119.936 119.914 0.046 0.000 2.407 314 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 314 V C 2.480 178.611 176.094 0.061 0.000 1.055 314 V CA 1.937 64.294 62.300 0.095 0.000 1.049 314 V CB -0.494 31.374 31.823 0.076 0.000 0.662 314 V HN 0.489 nan 8.190 nan 0.000 0.455 315 E N 1.489 121.698 120.200 0.015 0.000 2.077 315 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 315 E C 2.274 178.866 176.600 -0.013 0.000 0.989 315 E CA 1.914 58.313 56.400 -0.000 0.000 0.800 315 E CB -0.480 29.217 29.700 -0.005 0.000 0.746 315 E HN 0.710 nan 8.360 nan 0.000 0.452 316 S N -1.307 114.339 115.700 -0.090 0.000 2.474 316 S HA -0.119 4.351 4.470 -0.000 0.000 0.235 316 S C 1.561 176.081 174.600 -0.133 0.000 0.997 316 S CA 0.795 58.901 58.200 -0.156 0.000 0.949 316 S CB -0.543 62.472 63.200 -0.307 0.000 0.766 316 S HN 0.453 nan 8.310 nan 0.000 0.517 317 Y N 1.075 121.411 120.300 0.060 0.000 2.507 317 Y HA 0.371 4.921 4.550 -0.000 0.000 0.254 317 Y C 2.065 178.003 175.900 0.063 0.000 1.171 317 Y CA -0.537 57.603 58.100 0.067 0.000 1.238 317 Y CB 0.167 38.656 38.460 0.049 0.000 1.148 317 Y HN 0.183 nan 8.280 nan 0.000 0.525 318 K N 0.735 121.225 120.400 0.151 0.000 2.071 318 K HA -0.306 4.014 4.320 -0.000 0.000 0.217 318 K C 0.911 177.486 176.600 -0.042 0.000 1.054 318 K CA 2.465 58.755 56.287 0.006 0.000 0.937 318 K CB -0.258 32.167 32.500 -0.124 0.000 0.719 318 K HN 0.452 nan 8.250 nan 0.000 0.454 319 H N -0.652 118.467 119.070 0.081 0.000 2.563 319 H HA -0.017 4.539 4.556 -0.000 0.000 0.272 319 H C 1.186 176.559 175.328 0.075 0.000 1.005 319 H CA 1.319 57.406 56.048 0.065 0.000 1.171 319 H CB 0.232 30.026 29.762 0.052 0.000 1.351 319 H HN 0.587 nan 8.280 nan 0.000 0.602 320 E N -0.297 120.017 120.200 0.190 0.000 2.641 320 E HA 0.067 4.417 4.350 -0.000 0.000 0.224 320 E C 1.088 177.777 176.600 0.147 0.000 0.951 320 E CA 0.002 56.493 56.400 0.152 0.000 1.102 320 E CB -0.093 29.696 29.700 0.148 0.000 1.091 320 E HN 0.318 nan 8.360 nan 0.000 0.507 321 L N 1.214 122.515 121.223 0.130 0.000 2.156 321 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 321 L C 0.688 177.619 176.870 0.101 0.000 1.095 321 L CA 1.261 56.167 54.840 0.109 0.000 0.770 321 L CB -0.278 41.824 42.059 0.071 0.000 0.914 321 L HN 0.224 nan 8.230 nan 0.000 0.439 322 D N -0.281 120.161 120.400 0.070 0.000 3.012 322 D HA -0.255 4.385 4.640 -0.000 0.000 0.222 322 D C -0.160 176.152 176.300 0.020 0.000 1.167 322 D CA 0.714 54.742 54.000 0.047 0.000 0.854 322 D CB -0.779 40.064 40.800 0.072 0.000 1.107 322 D HN 0.329 nan 8.370 nan 0.000 0.421 323 I N -0.313 120.258 120.570 0.001 0.000 2.607 323 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 323 I C -0.483 175.598 176.117 -0.061 0.000 1.129 323 I CA -0.852 60.431 61.300 -0.028 0.000 1.042 323 I CB 1.484 39.490 38.000 0.010 0.000 1.242 323 I HN -0.124 nan 8.210 nan 0.000 0.421 324 E N 5.565 125.650 120.200 -0.192 0.000 2.316 324 E HA 0.257 4.607 4.350 -0.000 0.000 0.275 324 E C -1.079 175.494 176.600 -0.045 0.000 1.029 324 E CA -0.317 55.960 56.400 -0.206 0.000 0.871 324 E CB 1.681 31.109 29.700 -0.453 0.000 1.022 324 E HN 0.397 nan 8.360 nan 0.000 0.418 325 V N 4.729 124.658 119.914 0.026 0.000 2.407 325 V HA 0.108 4.228 4.120 -0.000 0.000 0.278 325 V C 0.010 176.144 176.094 0.067 0.000 1.037 325 V CA -0.588 61.769 62.300 0.095 0.000 0.900 325 V CB 1.574 33.452 31.823 0.091 0.000 0.983 325 V HN 0.392 nan 8.190 nan 0.000 0.459 326 V N 8.666 128.636 119.914 0.093 0.000 2.304 326 V HA 0.296 4.416 4.120 -0.000 0.000 0.269 326 V C -1.924 174.165 176.094 -0.008 0.000 1.036 326 V CA -1.494 60.826 62.300 0.033 0.000 0.840 326 V CB 1.148 33.040 31.823 0.116 0.000 1.036 326 V HN 0.741 nan 8.190 nan 0.000 0.466 327 P HA 0.449 nan 4.420 nan 0.000 0.284 327 P C -1.153 176.016 177.300 -0.218 0.000 1.253 327 P CA -0.298 62.773 63.100 -0.048 0.000 0.800 327 P CB 1.218 32.894 31.700 -0.040 0.000 0.961 328 F N 1.943 121.950 119.950 0.095 0.000 2.565 328 F HA 0.426 4.953 4.527 -0.000 0.000 0.313 328 F C 0.665 176.573 175.800 0.179 0.000 1.091 328 F CA -0.682 57.381 58.000 0.105 0.000 0.915 328 F CB 1.951 41.016 39.000 0.108 0.000 1.208 328 F HN 0.142 nan 8.300 nan 0.000 0.453 329 R N 1.268 121.971 120.500 0.339 0.000 2.607 329 R HA 0.609 4.949 4.340 -0.000 0.000 0.261 329 R C -0.631 175.889 176.300 0.366 0.000 1.051 329 R CA -1.336 54.956 56.100 0.320 0.000 1.110 329 R CB 0.228 30.572 30.300 0.074 0.000 1.158 329 R HN 0.630 nan 8.270 nan 0.000 0.543 330 M N 0.901 120.736 119.600 0.391 0.000 2.330 330 M HA -0.053 4.427 4.480 -0.000 0.000 0.436 330 M C -1.098 175.328 176.300 0.210 0.000 1.536 330 M CA 0.686 56.146 55.300 0.266 0.000 0.842 330 M CB 0.040 32.784 32.600 0.240 0.000 2.060 330 M HN 0.328 nan 8.290 nan 0.000 0.511 331 V N 6.733 126.749 119.914 0.170 0.000 2.348 331 V HA 0.447 4.567 4.120 -0.000 0.000 0.270 331 V C 0.363 176.588 176.094 0.218 0.000 1.037 331 V CA -0.267 62.125 62.300 0.154 0.000 0.872 331 V CB 0.966 32.809 31.823 0.033 0.000 1.002 331 V HN 0.956 nan 8.190 nan 0.000 0.464 332 T N 4.174 118.875 114.554 0.244 0.000 2.910 332 T HA 0.548 4.898 4.350 -0.000 0.000 0.287 332 T C -1.222 173.601 174.700 0.206 0.000 1.050 332 T CA -0.425 61.836 62.100 0.268 0.000 1.011 332 T CB 1.376 70.330 68.868 0.144 0.000 1.195 332 T HN 0.452 nan 8.240 nan 0.000 0.540 333 Y N 1.905 122.095 120.300 -0.183 0.000 2.310 333 Y HA 0.598 5.148 4.550 -0.000 0.000 0.326 333 Y C -0.761 174.855 175.900 -0.472 0.000 1.151 333 Y CA -1.278 56.411 58.100 -0.684 0.000 1.195 333 Y CB 0.578 38.477 38.460 -0.934 0.000 1.210 333 Y HN 0.457 nan 8.280 nan 0.000 0.483 334 L N 9.743 130.259 121.223 -1.179 0.000 2.335 334 L HA 0.294 4.634 4.340 -0.000 0.000 0.268 334 L C -1.927 174.166 176.870 -1.296 0.000 1.037 334 L CA -1.806 52.481 54.840 -0.922 0.000 0.895 334 L CB 1.202 42.967 42.059 -0.491 0.000 1.266 334 L HN 0.551 nan 8.230 nan 0.000 0.439 335 P HA -0.208 nan 4.420 nan 0.000 0.211 335 P C 0.828 177.844 177.300 -0.474 0.000 1.181 335 P CA 1.330 63.941 63.100 -0.815 0.000 0.929 335 P CB 0.250 31.665 31.700 -0.475 0.000 0.789 336 D N -0.702 119.494 120.400 -0.339 0.000 2.280 336 D HA -0.183 4.457 4.640 -0.000 0.000 0.206 336 D C 1.272 177.455 176.300 -0.194 0.000 0.988 336 D CA 1.197 55.068 54.000 -0.216 0.000 0.886 336 D CB -0.415 40.280 40.800 -0.174 0.000 0.914 336 D HN 0.498 nan 8.370 nan 0.000 0.473 337 E N -0.355 119.691 120.200 -0.257 0.000 2.601 337 E HA 0.023 4.373 4.350 -0.000 0.000 0.219 337 E C -0.430 176.071 176.600 -0.166 0.000 0.964 337 E CA -0.273 56.018 56.400 -0.182 0.000 1.050 337 E CB 0.679 30.279 29.700 -0.166 0.000 1.068 337 E HN -0.088 nan 8.360 nan 0.000 0.496 338 D N 2.206 122.458 120.400 -0.247 0.000 3.038 338 D HA -0.204 4.436 4.640 -0.000 0.000 0.229 338 D C -0.698 175.618 176.300 0.025 0.000 1.182 338 D CA 1.283 55.245 54.000 -0.063 0.000 0.852 338 D CB -0.676 40.152 40.800 0.046 0.000 0.932 338 D HN 0.442 nan 8.370 nan 0.000 0.406 339 R N 0.193 120.670 120.500 -0.038 0.000 3.062 339 R HA 0.387 4.727 4.340 -0.000 0.000 0.279 339 R C -1.405 174.898 176.300 0.004 0.000 1.003 339 R CA -1.004 55.145 56.100 0.082 0.000 0.872 339 R CB 0.217 30.534 30.300 0.029 0.000 1.280 339 R HN -0.028 nan 8.270 nan 0.000 0.516 340 Y N 0.315 120.685 120.300 0.116 0.000 2.519 340 Y HA 0.880 5.430 4.550 -0.000 0.000 0.324 340 Y C 0.384 176.303 175.900 0.031 0.000 1.214 340 Y CA 0.288 58.446 58.100 0.098 0.000 1.260 340 Y CB 2.337 40.853 38.460 0.093 0.000 1.311 340 Y HN 0.971 nan 8.280 nan 0.000 0.505 341 A N 1.202 124.143 122.820 0.201 0.000 2.590 341 A HA 0.564 4.884 4.320 -0.000 0.000 0.294 341 A C -3.207 174.459 177.584 0.136 0.000 1.046 341 A CA -1.675 50.439 52.037 0.128 0.000 0.684 341 A CB 0.790 19.825 19.000 0.059 0.000 1.279 341 A HN 0.399 nan 8.150 nan 0.000 0.415 342 P HA 0.161 nan 4.420 nan 0.000 0.268 342 P C 0.850 178.216 177.300 0.109 0.000 1.204 342 P CA -0.096 63.105 63.100 0.169 0.000 0.768 342 P CB 0.471 32.284 31.700 0.188 0.000 0.842 343 I N 3.694 124.333 120.570 0.116 0.000 2.567 343 I HA -0.194 3.976 4.170 -0.000 0.000 0.257 343 I C 1.468 177.615 176.117 0.050 0.000 1.184 343 I CA 1.495 62.844 61.300 0.081 0.000 1.451 343 I CB -0.602 37.462 38.000 0.106 0.000 1.089 343 I HN 0.356 nan 8.210 nan 0.000 0.441 344 D N 0.473 120.898 120.400 0.041 0.000 2.371 344 D HA -0.220 4.420 4.640 -0.000 0.000 0.221 344 D C 1.021 177.320 176.300 -0.001 0.000 0.986 344 D CA 0.620 54.621 54.000 0.002 0.000 0.899 344 D CB -0.424 40.357 40.800 -0.031 0.000 0.902 344 D HN 0.683 nan 8.370 nan 0.000 0.530 345 Q N 0.408 120.215 119.800 0.011 0.000 2.217 345 Q HA 0.433 4.773 4.340 -0.000 0.000 0.340 345 Q C 0.497 176.496 176.000 -0.002 0.000 0.893 345 Q CA -0.520 55.284 55.803 0.002 0.000 1.142 345 Q CB -0.099 28.642 28.738 0.006 0.000 1.288 345 Q HN 0.477 nan 8.270 nan 0.000 0.426 346 I N -5.051 115.516 120.570 -0.005 0.000 3.134 346 I HA 0.449 4.619 4.170 -0.000 0.000 0.206 346 I C -0.039 176.068 176.117 -0.018 0.000 0.520 346 I CA -0.596 60.694 61.300 -0.016 0.000 2.828 346 I CB -0.042 37.944 38.000 -0.024 0.000 1.338 346 I HN 0.064 nan 8.210 nan 0.000 0.479 347 D N 1.234 121.621 120.400 -0.022 0.000 3.740 347 D HA -0.321 4.319 4.640 -0.000 0.000 0.147 347 D C 0.783 177.068 176.300 -0.024 0.000 0.885 347 D CA 3.744 57.732 54.000 -0.020 0.000 1.051 347 D CB -1.425 39.372 40.800 -0.006 0.000 0.480 347 D HN 1.215 nan 8.370 nan 0.000 0.469 348 T N -1.712 112.832 114.554 -0.016 0.000 6.387 348 T HA -0.264 4.086 4.350 -0.000 0.000 0.290 348 T C 1.180 175.868 174.700 -0.020 0.000 1.901 348 T CA 2.792 64.882 62.100 -0.017 0.000 3.035 348 T CB -2.129 66.727 68.868 -0.019 0.000 1.917 348 T HN 0.979 nan 8.240 nan 0.000 1.121 349 T N -0.538 114.002 114.554 -0.023 0.000 10.222 349 T HA -0.297 4.053 4.350 -0.000 0.000 0.382 349 T C 1.283 175.962 174.700 -0.036 0.000 1.698 349 T CA 2.091 64.175 62.100 -0.027 0.000 2.662 349 T CB -1.139 67.716 68.868 -0.021 0.000 2.712 349 T HN 0.701 nan 8.240 nan 0.000 1.066 350 K N 1.836 122.215 120.400 -0.035 0.000 2.360 350 K HA -0.003 4.317 4.320 -0.000 0.000 0.201 350 K C 0.931 177.499 176.600 -0.054 0.000 1.046 350 K CA 1.507 57.770 56.287 -0.040 0.000 0.940 350 K CB -0.197 32.282 32.500 -0.035 0.000 0.748 350 K HN 0.804 nan 8.250 nan 0.000 0.465 351 T N -1.767 112.750 114.554 -0.061 0.000 2.916 351 T HA 0.350 4.700 4.350 -0.000 0.000 0.298 351 T C -0.846 173.796 174.700 -0.095 0.000 1.031 351 T CA -1.129 60.919 62.100 -0.086 0.000 0.993 351 T CB 2.520 71.332 68.868 -0.094 0.000 1.045 351 T HN 0.019 nan 8.240 nan 0.000 0.454 352 R N 1.945 122.372 120.500 -0.122 0.000 2.349 352 R HA 0.613 4.953 4.340 -0.000 0.000 0.299 352 R C 0.230 176.420 176.300 -0.183 0.000 1.027 352 R CA -0.312 55.711 56.100 -0.128 0.000 0.958 352 R CB 0.722 30.948 30.300 -0.125 0.000 1.047 352 R HN 0.967 nan 8.270 nan 0.000 0.468 353 T N 0.968 115.433 114.554 -0.148 0.000 2.919 353 T HA 0.633 4.983 4.350 -0.000 0.000 0.282 353 T C -0.190 174.417 174.700 -0.154 0.000 1.020 353 T CA -0.912 61.083 62.100 -0.175 0.000 0.994 353 T CB 1.242 70.058 68.868 -0.087 0.000 1.180 353 T HN 0.411 nan 8.240 nan 0.000 0.566 354 L N 1.022 122.165 121.223 -0.134 0.000 2.513 354 L HA 0.576 4.916 4.340 -0.000 0.000 0.261 354 L C -1.198 175.747 176.870 0.125 0.000 0.945 354 L CA -0.910 53.898 54.840 -0.053 0.000 0.848 354 L CB 2.350 44.262 42.059 -0.245 0.000 1.334 354 L HN 0.808 nan 8.230 nan 0.000 0.407 355 N N 3.690 122.523 118.700 0.222 0.000 2.478 355 N HA 0.413 5.153 4.740 -0.000 0.000 0.291 355 N C -1.579 174.088 175.510 0.262 0.000 1.090 355 N CA -0.372 52.859 53.050 0.302 0.000 0.911 355 N CB 2.165 40.778 38.487 0.209 0.000 1.546 355 N HN 0.553 nan 8.380 nan 0.000 0.500 356 I N 3.089 123.823 120.570 0.273 0.000 2.316 356 I HA 0.085 4.255 4.170 -0.000 0.000 0.286 356 I C 1.070 177.189 176.117 0.003 0.000 1.107 356 I CA -0.481 60.805 61.300 -0.023 0.000 1.219 356 I CB 0.466 38.133 38.000 -0.554 0.000 1.455 356 I HN 0.476 nan 8.210 nan 0.000 0.498 357 S N 3.368 119.100 115.700 0.053 0.000 2.560 357 S HA 0.035 4.505 4.470 -0.000 0.000 0.276 357 S C 1.584 176.216 174.600 0.054 0.000 1.350 357 S CA -0.033 58.218 58.200 0.086 0.000 1.024 357 S CB 1.093 64.335 63.200 0.070 0.000 0.864 357 S HN 0.736 nan 8.310 nan 0.000 0.536 358 G N 1.087 109.954 108.800 0.111 0.000 2.469 358 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 358 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 358 G C 1.290 176.217 174.900 0.046 0.000 1.150 358 G CA 1.303 46.468 45.100 0.109 0.000 0.763 358 G HN 0.760 nan 8.290 nan 0.000 0.561 359 T N 0.982 115.560 114.554 0.039 0.000 2.516 359 T HA -0.214 4.136 4.350 -0.000 0.000 0.261 359 T C 2.185 176.875 174.700 -0.016 0.000 1.130 359 T CA 2.020 64.131 62.100 0.019 0.000 1.193 359 T CB -0.397 68.485 68.868 0.023 0.000 0.864 359 T HN 0.491 nan 8.240 nan 0.000 0.410 360 E N 0.952 121.130 120.200 -0.036 0.000 2.208 360 E HA -0.179 4.171 4.350 -0.000 0.000 0.202 360 E C 1.921 178.440 176.600 -0.134 0.000 1.014 360 E CA 1.019 57.371 56.400 -0.080 0.000 0.819 360 E CB -0.702 28.944 29.700 -0.090 0.000 0.735 360 E HN 0.401 nan 8.360 nan 0.000 0.469 361 L N 0.644 121.779 121.223 -0.145 0.000 2.017 361 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 361 L C 2.257 179.072 176.870 -0.092 0.000 1.073 361 L CA 2.093 56.824 54.840 -0.181 0.000 0.745 361 L CB -0.503 41.492 42.059 -0.105 0.000 0.894 361 L HN 0.072 nan 8.230 nan 0.000 0.432 362 R N -0.876 119.602 120.500 -0.038 0.000 2.081 362 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 362 R C 2.402 178.676 176.300 -0.044 0.000 1.131 362 R CA 1.499 57.586 56.100 -0.021 0.000 0.960 362 R CB -0.631 29.669 30.300 0.000 0.000 0.856 362 R HN 0.349 nan 8.270 nan 0.000 0.436 363 R N 1.366 121.834 120.500 -0.054 0.000 2.113 363 R HA -0.181 4.159 4.340 -0.000 0.000 0.244 363 R C 2.216 178.470 176.300 -0.077 0.000 1.142 363 R CA 1.870 57.933 56.100 -0.062 0.000 0.953 363 R CB -0.076 30.187 30.300 -0.061 0.000 0.860 363 R HN 0.196 nan 8.270 nan 0.000 0.438 364 R N 0.084 120.526 120.500 -0.096 0.000 2.081 364 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 364 R C 2.442 178.693 176.300 -0.082 0.000 1.131 364 R CA 1.478 57.518 56.100 -0.101 0.000 0.960 364 R CB -0.356 29.862 30.300 -0.137 0.000 0.856 364 R HN 0.291 nan 8.270 nan 0.000 0.436 365 L N 0.042 121.223 121.223 -0.070 0.000 2.083 365 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 365 L C 2.700 179.537 176.870 -0.055 0.000 1.083 365 L CA 1.282 56.092 54.840 -0.049 0.000 0.752 365 L CB -0.296 41.748 42.059 -0.026 0.000 0.899 365 L HN 0.181 nan 8.230 nan 0.000 0.433 366 R N 0.079 120.540 120.500 -0.064 0.000 2.210 366 R HA -0.041 4.299 4.340 -0.000 0.000 0.203 366 R C 1.652 177.883 176.300 -0.114 0.000 1.010 366 R CA 0.885 56.935 56.100 -0.083 0.000 1.008 366 R CB 0.352 30.608 30.300 -0.074 0.000 0.923 366 R HN 0.363 nan 8.270 nan 0.000 0.469 367 V N -3.326 116.527 119.914 -0.100 0.000 3.483 367 V HA 0.430 4.550 4.120 -0.000 0.000 0.301 367 V C 0.792 176.832 176.094 -0.090 0.000 1.389 367 V CA 0.412 62.649 62.300 -0.106 0.000 1.101 367 V CB 0.316 32.083 31.823 -0.094 0.000 0.971 367 V HN 0.309 nan 8.190 nan 0.000 0.434 368 G N 0.156 108.908 108.800 -0.080 0.000 2.166 368 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.260 368 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.260 368 G C 0.732 175.594 174.900 -0.063 0.000 0.986 368 G CA 0.382 45.443 45.100 -0.066 0.000 0.683 368 G HN 1.481 nan 8.290 nan 0.000 0.527 369 G N -0.693 108.063 108.800 -0.072 0.000 2.732 369 G HA2 0.407 4.367 3.960 -0.000 0.000 0.244 369 G HA3 0.407 4.367 3.960 -0.000 0.000 0.244 369 G C -0.051 174.803 174.900 -0.078 0.000 1.226 369 G CA 0.203 45.258 45.100 -0.075 0.000 0.860 369 G HN 0.409 nan 8.290 nan 0.000 0.583 370 E N -0.617 119.535 120.200 -0.081 0.000 2.081 370 E HA 0.362 4.712 4.350 -0.000 0.000 0.276 370 E C -0.320 176.203 176.600 -0.129 0.000 0.950 370 E CA -0.559 55.791 56.400 -0.084 0.000 0.776 370 E CB 0.852 30.515 29.700 -0.062 0.000 1.094 370 E HN 0.213 nan 8.360 nan 0.000 0.402 371 I N 6.828 127.313 120.570 -0.143 0.000 2.452 371 I HA 0.161 4.331 4.170 -0.000 0.000 0.287 371 I C -1.933 174.034 176.117 -0.251 0.000 1.079 371 I CA -1.924 59.244 61.300 -0.220 0.000 1.387 371 I CB 0.373 38.284 38.000 -0.148 0.000 1.404 371 I HN 0.469 nan 8.210 nan 0.000 0.522 372 P HA -0.060 nan 4.420 nan 0.000 0.263 372 P C 0.733 177.732 177.300 -0.502 0.000 1.175 372 P CA 0.058 62.810 63.100 -0.580 0.000 0.761 372 P CB 0.545 31.475 31.700 -1.283 0.000 0.794 373 E N 2.546 122.583 120.200 -0.273 0.000 2.160 373 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 373 E C 1.719 178.214 176.600 -0.174 0.000 0.991 373 E CA 1.372 57.678 56.400 -0.157 0.000 0.810 373 E CB -0.192 29.483 29.700 -0.042 0.000 0.742 373 E HN 0.705 nan 8.360 nan 0.000 0.466 374 W N -0.395 120.805 121.300 -0.168 0.000 2.418 374 W HA -0.113 4.547 4.660 -0.000 0.000 0.292 374 W C 1.912 178.290 176.519 -0.235 0.000 1.213 374 W CA 0.116 57.263 57.345 -0.330 0.000 1.283 374 W CB -1.378 27.640 29.460 -0.735 0.000 1.119 374 W HN -0.073 nan 8.180 nan 0.000 0.542 375 F N 2.464 121.936 119.950 -0.797 0.000 2.051 375 F HA -0.016 4.511 4.527 -0.000 0.000 0.296 375 F C 1.288 176.949 175.800 -0.231 0.000 1.122 375 F CA 2.220 59.882 58.000 -0.564 0.000 1.201 375 F CB -0.502 37.903 39.000 -0.992 0.000 0.978 375 F HN -0.151 nan 8.300 nan 0.000 0.472 376 S N -2.451 113.054 115.700 -0.324 0.000 2.618 376 S HA 0.446 4.916 4.470 -0.000 0.000 0.277 376 S C -1.464 173.069 174.600 -0.112 0.000 1.138 376 S CA -0.751 57.324 58.200 -0.209 0.000 0.844 376 S CB 0.419 63.621 63.200 0.003 0.000 1.127 376 S HN 0.056 nan 8.310 nan 0.000 0.474 377 Y N 2.559 122.841 120.300 -0.030 0.000 2.379 377 Y HA 0.230 4.780 4.550 -0.000 0.000 0.337 377 Y C -0.936 174.963 175.900 -0.003 0.000 1.238 377 Y CA -1.296 56.793 58.100 -0.017 0.000 1.405 377 Y CB 0.064 38.513 38.460 -0.018 0.000 1.310 377 Y HN 0.523 nan 8.280 nan 0.000 0.569 378 P HA -0.195 nan 4.420 nan 0.000 0.215 378 P C 0.443 177.789 177.300 0.077 0.000 1.157 378 P CA 2.058 65.201 63.100 0.071 0.000 0.868 378 P CB 0.282 32.011 31.700 0.049 0.000 0.788 379 E N 0.074 120.327 120.200 0.089 0.000 2.130 379 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 379 E C 2.154 178.781 176.600 0.044 0.000 0.998 379 E CA 1.088 57.520 56.400 0.053 0.000 0.806 379 E CB -1.234 28.489 29.700 0.038 0.000 0.738 379 E HN 0.099 nan 8.360 nan 0.000 0.459 380 V N 0.821 120.780 119.914 0.076 0.000 2.323 380 V HA -0.211 3.909 4.120 -0.000 0.000 0.244 380 V C 2.283 178.421 176.094 0.073 0.000 1.041 380 V CA 1.362 63.699 62.300 0.061 0.000 1.025 380 V CB -0.303 31.583 31.823 0.105 0.000 0.656 380 V HN 0.172 nan 8.190 nan 0.000 0.451 381 V N 0.257 120.229 119.914 0.098 0.000 2.407 381 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 381 V C 2.418 178.537 176.094 0.043 0.000 1.055 381 V CA 2.341 64.690 62.300 0.082 0.000 1.049 381 V CB -0.763 31.098 31.823 0.062 0.000 0.662 381 V HN 0.583 nan 8.190 nan 0.000 0.455 382 K N 0.304 120.723 120.400 0.033 0.000 2.009 382 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 382 K C 2.129 178.735 176.600 0.011 0.000 1.049 382 K CA 2.063 58.361 56.287 0.017 0.000 0.929 382 K CB -0.300 32.210 32.500 0.016 0.000 0.714 382 K HN 0.420 nan 8.250 nan 0.000 0.440 383 I N 1.240 121.815 120.570 0.009 0.000 2.208 383 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 383 I C 2.310 178.425 176.117 -0.003 0.000 1.097 383 I CA 1.089 62.387 61.300 -0.004 0.000 1.363 383 I CB -0.211 37.776 38.000 -0.021 0.000 1.051 383 I HN 0.239 nan 8.210 nan 0.000 0.413 384 L N 0.147 121.376 121.223 0.010 0.000 2.005 384 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 384 L C 2.805 179.682 176.870 0.011 0.000 1.072 384 L CA 1.480 56.331 54.840 0.017 0.000 0.744 384 L CB -0.593 41.501 42.059 0.058 0.000 0.895 384 L HN 0.162 nan 8.230 nan 0.000 0.433 385 R N -0.033 120.473 120.500 0.011 0.000 2.091 385 R HA -0.238 4.102 4.340 -0.000 0.000 0.238 385 R C 2.183 178.481 176.300 -0.004 0.000 1.136 385 R CA 1.714 57.813 56.100 -0.001 0.000 0.959 385 R CB -0.411 29.886 30.300 -0.004 0.000 0.856 385 R HN 0.429 nan 8.270 nan 0.000 0.437 386 E N 0.394 120.592 120.200 -0.002 0.000 2.153 386 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 386 E C 1.199 177.794 176.600 -0.008 0.000 0.988 386 E CA 1.418 57.815 56.400 -0.005 0.000 0.811 386 E CB 0.165 29.862 29.700 -0.004 0.000 0.746 386 E HN 0.206 nan 8.360 nan 0.000 0.466 387 S N -0.045 115.651 115.700 -0.007 0.000 2.470 387 S HA 0.075 4.545 4.470 -0.000 0.000 0.222 387 S C 0.053 174.649 174.600 -0.007 0.000 1.024 387 S CA 0.084 58.279 58.200 -0.009 0.000 0.931 387 S CB 0.222 63.417 63.200 -0.008 0.000 0.791 387 S HN 0.211 nan 8.310 nan 0.000 0.513 388 N N 1.845 120.543 118.700 -0.004 0.000 2.841 388 N HA 0.288 5.028 4.740 -0.000 0.000 0.257 388 N C -2.989 172.516 175.510 -0.008 0.000 1.396 388 N CA -1.275 51.773 53.050 -0.003 0.000 0.823 388 N CB 1.376 39.864 38.487 0.002 0.000 1.162 388 N HN 0.216 nan 8.380 nan 0.000 0.503 389 P HA 0.114 nan 4.420 nan 0.000 0.268 389 P C -2.601 174.682 177.300 -0.029 0.000 1.208 389 P CA -0.761 62.331 63.100 -0.014 0.000 0.777 389 P CB 0.401 32.099 31.700 -0.005 0.000 0.875 390 P HA 0.129 nan 4.420 nan 0.000 0.274 390 P C 1.143 178.378 177.300 -0.108 0.000 1.246 390 P CA -0.286 62.767 63.100 -0.077 0.000 0.795 390 P CB 0.674 32.331 31.700 -0.072 0.000 1.006 391 R N 1.552 121.932 120.500 -0.201 0.000 2.134 391 R HA -0.145 4.195 4.340 -0.000 0.000 0.248 391 R C -0.520 175.646 176.300 -0.224 0.000 1.143 391 R CA 2.184 58.063 56.100 -0.368 0.000 0.957 391 R CB -2.584 27.345 30.300 -0.619 0.000 0.867 391 R HN 0.556 nan 8.270 nan 0.000 0.441 392 P HA -0.102 nan 4.420 nan 0.000 0.229 392 P C 0.207 177.530 177.300 0.039 0.000 1.150 392 P CA 1.373 64.452 63.100 -0.034 0.000 0.765 392 P CB -0.019 31.654 31.700 -0.045 0.000 0.783 393 K N -1.327 119.089 120.400 0.026 0.000 2.447 393 K HA 0.173 4.493 4.320 -0.000 0.000 0.205 393 K C 0.810 177.453 176.600 0.071 0.000 1.059 393 K CA -0.130 56.186 56.287 0.047 0.000 1.065 393 K CB 0.688 33.199 32.500 0.019 0.000 0.885 393 K HN 0.233 nan 8.250 nan 0.000 0.545 394 Q N 0.120 119.991 119.800 0.118 0.000 2.260 394 Q HA 0.298 4.638 4.340 -0.000 0.000 0.238 394 Q C 0.398 176.573 176.000 0.292 0.000 0.948 394 Q CA -0.509 55.406 55.803 0.187 0.000 0.895 394 Q CB 1.377 30.234 28.738 0.198 0.000 1.218 394 Q HN 0.188 nan 8.270 nan 0.000 0.470 395 G N 0.335 109.259 108.800 0.207 0.000 2.535 395 G HA2 0.641 4.601 3.960 -0.000 0.000 0.303 395 G HA3 0.641 4.601 3.960 -0.000 0.000 0.303 395 G C -0.944 174.070 174.900 0.191 0.000 1.237 395 G CA -0.276 44.864 45.100 0.067 0.000 0.986 395 G HN 0.561 nan 8.290 nan 0.000 0.494 396 F N -2.883 117.066 119.950 -0.001 0.000 2.900 396 F HA 0.744 5.271 4.527 -0.000 0.000 0.321 396 F C -0.836 174.970 175.800 0.010 0.000 1.160 396 F CA -1.501 56.472 58.000 -0.045 0.000 0.890 396 F CB 0.996 39.770 39.000 -0.377 0.000 1.334 396 F HN 0.522 nan 8.300 nan 0.000 0.459 397 S N 1.517 117.459 115.700 0.404 0.000 2.546 397 S HA 0.807 5.277 4.470 -0.000 0.000 0.274 397 S C -1.661 173.209 174.600 0.451 0.000 1.121 397 S CA -0.616 57.781 58.200 0.329 0.000 0.887 397 S CB 1.932 65.254 63.200 0.202 0.000 1.094 397 S HN 0.585 nan 8.310 nan 0.000 0.474 398 I N 2.778 123.592 120.570 0.406 0.000 2.389 398 I HA 0.411 4.581 4.170 -0.000 0.000 0.288 398 I C -0.628 175.625 176.117 0.227 0.000 0.999 398 I CA -0.678 60.816 61.300 0.322 0.000 1.129 398 I CB 1.384 39.599 38.000 0.358 0.000 1.288 398 I HN 0.301 nan 8.210 nan 0.000 0.444 399 V N 6.762 126.764 119.914 0.146 0.000 2.370 399 V HA 0.347 4.467 4.120 -0.000 0.000 0.279 399 V C 0.452 176.565 176.094 0.032 0.000 1.029 399 V CA -0.736 61.614 62.300 0.082 0.000 0.870 399 V CB 1.833 33.634 31.823 -0.037 0.000 0.984 399 V HN 0.411 nan 8.190 nan 0.000 0.451 400 L N 5.302 126.549 121.223 0.040 0.000 2.407 400 L HA 0.322 4.662 4.340 -0.000 0.000 0.282 400 L C 1.354 178.210 176.870 -0.022 0.000 1.110 400 L CA 0.081 54.928 54.840 0.012 0.000 0.863 400 L CB -0.093 41.978 42.059 0.019 0.000 1.207 400 L HN 0.826 nan 8.230 nan 0.000 0.454 401 G N 2.495 111.271 108.800 -0.039 0.000 2.647 401 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.234 401 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.234 401 G C 0.880 175.751 174.900 -0.049 0.000 1.252 401 G CA -0.396 44.668 45.100 -0.060 0.000 0.846 401 G HN 0.696 nan 8.290 nan 0.000 0.589 402 N N 0.091 118.756 118.700 -0.058 0.000 2.166 402 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 402 N C 2.666 178.158 175.510 -0.030 0.000 1.019 402 N CA 1.556 54.581 53.050 -0.042 0.000 0.856 402 N CB -0.271 38.189 38.487 -0.044 0.000 0.993 402 N HN 0.582 nan 8.380 nan 0.000 0.426 403 S N 0.398 116.080 115.700 -0.030 0.000 2.500 403 S HA -0.032 4.438 4.470 -0.000 0.000 0.239 403 S C 0.882 175.469 174.600 -0.021 0.000 0.989 403 S CA 0.067 58.253 58.200 -0.023 0.000 0.951 403 S CB -0.280 62.907 63.200 -0.022 0.000 0.759 403 S HN 0.085 nan 8.310 nan 0.000 0.523 404 L N 2.780 123.989 121.223 -0.023 0.000 2.584 404 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 404 L C 1.324 178.181 176.870 -0.021 0.000 1.195 404 L CA 0.900 55.728 54.840 -0.021 0.000 0.920 404 L CB -0.098 41.949 42.059 -0.020 0.000 1.173 404 L HN 0.322 nan 8.230 nan 0.000 0.489 405 T N 2.563 117.104 114.554 -0.022 0.000 3.037 405 T HA 0.056 4.406 4.350 -0.000 0.000 0.252 405 T C 0.958 175.643 174.700 -0.025 0.000 1.073 405 T CA 0.024 62.111 62.100 -0.022 0.000 1.091 405 T CB 0.329 69.183 68.868 -0.022 0.000 0.935 405 T HN 0.512 nan 8.240 nan 0.000 0.488 406 V N 0.623 120.520 119.914 -0.028 0.000 3.503 406 V HA 0.430 4.550 4.120 -0.000 0.000 0.300 406 V C 0.657 176.734 176.094 -0.028 0.000 1.099 406 V CA -1.068 61.214 62.300 -0.031 0.000 1.117 406 V CB 0.609 32.411 31.823 -0.036 0.000 1.122 406 V HN 0.156 nan 8.190 nan 0.000 0.476 407 S N 0.502 116.184 115.700 -0.031 0.000 2.466 407 S HA 0.217 4.687 4.470 -0.000 0.000 0.286 407 S C 1.144 175.727 174.600 -0.028 0.000 1.221 407 S CA -0.031 58.152 58.200 -0.029 0.000 1.091 407 S CB -0.182 63.000 63.200 -0.031 0.000 0.956 407 S HN 0.783 nan 8.310 nan 0.000 0.501 408 R N 3.102 123.588 120.500 -0.025 0.000 2.115 408 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 408 R C 1.737 178.023 176.300 -0.023 0.000 1.111 408 R CA 1.837 57.925 56.100 -0.021 0.000 0.976 408 R CB -0.095 30.194 30.300 -0.018 0.000 0.870 408 R HN 0.643 nan 8.270 nan 0.000 0.445 409 E N 0.377 120.560 120.200 -0.027 0.000 2.047 409 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 409 E C 2.041 178.620 176.600 -0.035 0.000 0.987 409 E CA 0.907 57.290 56.400 -0.030 0.000 0.799 409 E CB -0.053 29.629 29.700 -0.030 0.000 0.752 409 E HN 0.157 nan 8.360 nan 0.000 0.449 410 Q N 0.046 119.824 119.800 -0.037 0.000 2.123 410 Q HA -0.051 4.289 4.340 -0.000 0.000 0.199 410 Q C 2.294 178.262 176.000 -0.054 0.000 0.966 410 Q CA 0.681 56.457 55.803 -0.045 0.000 0.845 410 Q CB -0.387 28.326 28.738 -0.042 0.000 0.907 410 Q HN 0.251 nan 8.270 nan 0.000 0.439 411 L N 0.700 121.895 121.223 -0.047 0.000 2.131 411 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 411 L C 2.026 178.857 176.870 -0.065 0.000 1.092 411 L CA 1.557 56.366 54.840 -0.053 0.000 0.759 411 L CB -0.586 41.452 42.059 -0.035 0.000 0.903 411 L HN -0.008 nan 8.230 nan 0.000 0.435 412 S N -0.264 115.407 115.700 -0.048 0.000 2.345 412 S HA -0.106 4.364 4.470 -0.000 0.000 0.220 412 S C 1.945 176.497 174.600 -0.080 0.000 1.031 412 S CA 1.723 59.898 58.200 -0.042 0.000 0.996 412 S CB -0.381 62.810 63.200 -0.014 0.000 0.882 412 S HN 0.486 nan 8.310 nan 0.000 0.445 413 I N 1.874 122.398 120.570 -0.076 0.000 2.163 413 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 413 I C 2.715 178.747 176.117 -0.142 0.000 1.085 413 I CA 1.115 62.360 61.300 -0.093 0.000 1.347 413 I CB -0.564 37.394 38.000 -0.071 0.000 1.044 413 I HN 0.257 nan 8.210 nan 0.000 0.408 414 A N 1.100 123.836 122.820 -0.140 0.000 1.892 414 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 414 A C 2.318 179.727 177.584 -0.293 0.000 1.188 414 A CA 1.679 53.612 52.037 -0.173 0.000 0.631 414 A CB -0.985 17.938 19.000 -0.129 0.000 0.822 414 A HN 0.391 nan 8.150 nan 0.000 0.447 415 L N -1.283 119.734 121.223 -0.343 0.000 2.017 415 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 415 L C 2.582 178.937 176.870 -0.858 0.000 1.073 415 L CA 1.244 55.675 54.840 -0.681 0.000 0.745 415 L CB -0.578 41.174 42.059 -0.512 0.000 0.894 415 L HN 0.478 nan 8.230 nan 0.000 0.432 416 L N -0.545 120.422 121.223 -0.426 0.000 1.989 416 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 416 L C 2.618 179.295 176.870 -0.322 0.000 1.071 416 L CA 1.949 56.619 54.840 -0.283 0.000 0.749 416 L CB -0.662 41.325 42.059 -0.121 0.000 0.890 416 L HN 0.081 nan 8.230 nan 0.000 0.431 417 S N -1.207 114.328 115.700 -0.275 0.000 2.383 417 S HA -0.185 4.285 4.470 -0.000 0.000 0.229 417 S C 1.762 176.156 174.600 -0.345 0.000 1.030 417 S CA 1.635 59.687 58.200 -0.246 0.000 1.002 417 S CB -0.481 62.610 63.200 -0.181 0.000 0.829 417 S HN 0.640 nan 8.310 nan 0.000 0.467 418 T N 1.828 116.108 114.554 -0.456 0.000 2.737 418 T HA 0.001 4.351 4.350 -0.000 0.000 0.265 418 T C 1.376 175.543 174.700 -0.888 0.000 1.038 418 T CA 1.032 62.791 62.100 -0.569 0.000 1.144 418 T CB -0.383 68.195 68.868 -0.483 0.000 0.866 418 T HN 0.310 nan 8.240 nan 0.000 0.434 419 F N 1.401 120.878 119.950 -0.787 0.000 2.171 419 F HA 0.094 4.621 4.527 -0.000 0.000 0.300 419 F C 2.121 177.388 175.800 -0.889 0.000 1.090 419 F CA -0.068 57.339 58.000 -0.989 0.000 1.293 419 F CB -1.313 37.084 39.000 -1.004 0.000 1.013 419 F HN 0.112 nan 8.300 nan 0.000 0.486 420 L N -0.036 120.922 121.223 -0.442 0.000 2.131 420 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 420 L C 2.422 179.206 176.870 -0.143 0.000 1.092 420 L CA 1.394 56.117 54.840 -0.195 0.000 0.759 420 L CB -0.770 41.206 42.059 -0.138 0.000 0.903 420 L HN 0.291 nan 8.230 nan 0.000 0.435 421 Q N -1.089 118.542 119.800 -0.282 0.000 2.435 421 Q HA -0.106 4.234 4.340 -0.000 0.000 0.207 421 Q C 1.872 177.922 176.000 0.084 0.000 0.956 421 Q CA 1.077 56.807 55.803 -0.121 0.000 0.917 421 Q CB -0.310 28.344 28.738 -0.139 0.000 0.997 421 Q HN 0.485 nan 8.270 nan 0.000 0.497 422 F N 1.914 121.884 119.950 0.033 0.000 2.234 422 F HA 0.131 4.658 4.527 -0.000 0.000 0.296 422 F C 1.517 177.352 175.800 0.058 0.000 1.089 422 F CA 0.153 58.181 58.000 0.046 0.000 1.343 422 F CB -0.138 38.791 39.000 -0.118 0.000 1.040 422 F HN 0.287 nan 8.300 nan 0.000 0.498 423 G N 0.163 109.131 108.800 0.281 0.000 2.901 423 G HA2 0.088 4.048 3.960 -0.000 0.000 0.654 423 G HA3 0.088 4.048 3.960 -0.000 0.000 0.654 423 G C 0.458 175.483 174.900 0.208 0.000 1.550 423 G CA -0.240 44.990 45.100 0.216 0.000 0.978 423 G HN 1.073 nan 8.290 nan 0.000 0.566 424 G N -1.603 107.295 108.800 0.163 0.000 2.407 424 G HA2 0.527 4.487 3.960 -0.000 0.000 0.210 424 G HA3 0.527 4.487 3.960 -0.000 0.000 0.210 424 G C 1.769 176.739 174.900 0.118 0.000 1.015 424 G CA 0.902 46.080 45.100 0.130 0.000 0.807 424 G HN 2.992 nan 8.290 nan 0.000 0.539 425 G N -0.324 108.545 108.800 0.116 0.000 2.212 425 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.266 425 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.266 425 G C 0.514 175.457 174.900 0.072 0.000 0.978 425 G CA 1.254 46.408 45.100 0.090 0.000 0.632 425 G HN 1.105 nan 8.290 nan 0.000 0.537 426 R N -0.205 120.332 120.500 0.062 0.000 2.438 426 R HA 0.515 4.855 4.340 -0.000 0.000 0.287 426 R C -0.403 175.732 176.300 -0.276 0.000 1.077 426 R CA -0.658 55.372 56.100 -0.117 0.000 1.034 426 R CB 0.214 30.397 30.300 -0.195 0.000 0.993 426 R HN 0.228 nan 8.270 nan 0.000 0.459 427 Y N 4.171 124.231 120.300 -0.401 0.000 2.320 427 Y HA 0.276 4.826 4.550 -0.000 0.000 0.334 427 Y C -1.389 174.210 175.900 -0.502 0.000 1.055 427 Y CA -0.272 57.655 58.100 -0.288 0.000 1.143 427 Y CB 0.704 39.102 38.460 -0.104 0.000 1.193 427 Y HN 0.499 nan 8.280 nan 0.000 0.477 428 Y N 4.199 124.387 120.300 -0.187 0.000 2.549 428 Y HA 0.601 5.151 4.550 -0.000 0.000 0.339 428 Y C -0.415 175.430 175.900 -0.092 0.000 1.053 428 Y CA -1.132 56.931 58.100 -0.060 0.000 1.105 428 Y CB 2.052 40.534 38.460 0.037 0.000 1.258 428 Y HN 0.474 nan 8.280 nan 0.000 0.478 429 K N 1.962 122.455 120.400 0.155 0.000 2.569 429 K HA 0.405 4.725 4.320 -0.000 0.000 0.259 429 K C -1.994 174.676 176.600 0.117 0.000 0.932 429 K CA -0.607 55.739 56.287 0.098 0.000 0.833 429 K CB 1.414 33.946 32.500 0.052 0.000 1.340 429 K HN 0.578 nan 8.250 nan 0.000 0.429 430 I N 4.215 124.851 120.570 0.109 0.000 2.416 430 I HA 0.200 4.370 4.170 -0.000 0.000 0.288 430 I C -0.368 175.847 176.117 0.165 0.000 1.051 430 I CA -0.076 61.293 61.300 0.116 0.000 1.375 430 I CB -0.003 38.030 38.000 0.055 0.000 1.407 430 I HN 0.532 nan 8.210 nan 0.000 0.516 431 F N 6.206 126.160 119.950 0.008 0.000 2.403 431 F HA 0.356 4.883 4.527 -0.000 0.000 0.355 431 F C 0.188 176.010 175.800 0.037 0.000 1.119 431 F CA -0.598 57.406 58.000 0.007 0.000 1.007 431 F CB 1.005 40.003 39.000 -0.004 0.000 1.194 431 F HN 0.444 nan 8.300 nan 0.000 0.443 432 E N 4.774 124.745 120.200 -0.382 0.000 2.081 432 E HA 0.111 4.461 4.350 -0.000 0.000 0.281 432 E C -0.043 176.240 176.600 -0.528 0.000 0.986 432 E CA -0.237 55.938 56.400 -0.374 0.000 0.796 432 E CB 0.582 30.127 29.700 -0.258 0.000 1.085 432 E HN 0.781 nan 8.360 nan 0.000 0.398 433 H N 2.397 121.352 119.070 -0.192 0.000 2.525 433 H HA 0.161 4.716 4.556 -0.000 0.000 0.275 433 H C 0.107 175.414 175.328 -0.034 0.000 0.984 433 H CA 0.321 56.304 56.048 -0.109 0.000 1.264 433 H CB -0.161 29.695 29.762 0.157 0.000 1.432 433 H HN 0.555 nan 8.280 nan 0.000 0.549 434 N N 0.510 119.129 118.700 -0.135 0.000 2.696 434 N HA -0.328 4.412 4.740 -0.000 0.000 0.249 434 N C -0.629 174.990 175.510 0.181 0.000 1.090 434 N CA 0.489 53.544 53.050 0.008 0.000 0.716 434 N CB -1.224 37.244 38.487 -0.032 0.000 1.020 434 N HN 0.573 nan 8.380 nan 0.000 0.548 435 N N -1.203 117.776 118.700 0.465 0.000 2.681 435 N HA -0.210 4.530 4.740 -0.000 0.000 0.250 435 N C -1.200 174.401 175.510 0.152 0.000 1.133 435 N CA 1.511 54.742 53.050 0.301 0.000 0.732 435 N CB -0.296 38.319 38.487 0.212 0.000 1.107 435 N HN 0.498 nan 8.380 nan 0.000 0.559 436 K N -0.290 120.191 120.400 0.135 0.000 2.262 436 K HA 0.180 4.500 4.320 -0.000 0.000 0.282 436 K C 1.545 178.175 176.600 0.050 0.000 1.066 436 K CA 0.261 56.590 56.287 0.070 0.000 0.901 436 K CB 0.824 33.356 32.500 0.053 0.000 1.089 436 K HN 0.260 nan 8.250 nan 0.000 0.476 437 T N -0.271 114.292 114.554 0.016 0.000 2.849 437 T HA -0.215 4.135 4.350 -0.000 0.000 0.270 437 T C 1.367 176.068 174.700 0.002 0.000 1.066 437 T CA 1.505 63.595 62.100 -0.016 0.000 1.130 437 T CB -0.249 68.603 68.868 -0.027 0.000 0.864 437 T HN 0.735 nan 8.240 nan 0.000 0.481 438 E N 0.863 121.077 120.200 0.022 0.000 2.409 438 E HA 0.047 4.397 4.350 -0.000 0.000 0.198 438 E C 2.010 178.658 176.600 0.080 0.000 1.024 438 E CA 0.581 57.001 56.400 0.033 0.000 0.861 438 E CB -0.416 29.300 29.700 0.027 0.000 0.788 438 E HN 0.490 nan 8.360 nan 0.000 0.521 439 L N 0.123 121.413 121.223 0.112 0.000 2.362 439 L HA 0.089 4.429 4.340 -0.000 0.000 0.204 439 L C 2.328 179.387 176.870 0.315 0.000 1.060 439 L CA 0.093 55.076 54.840 0.238 0.000 0.827 439 L CB -0.101 42.043 42.059 0.141 0.000 1.027 439 L HN 0.110 nan 8.230 nan 0.000 0.474 440 L N 0.047 121.350 121.223 0.133 0.000 2.042 440 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 440 L C 2.734 179.553 176.870 -0.086 0.000 1.076 440 L CA 1.709 56.525 54.840 -0.040 0.000 0.749 440 L CB -0.637 41.274 42.059 -0.247 0.000 0.893 440 L HN 0.365 nan 8.230 nan 0.000 0.432 441 S N -0.498 115.170 115.700 -0.054 0.000 2.507 441 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 441 S C 1.722 176.293 174.600 -0.049 0.000 0.988 441 S CA 0.720 58.879 58.200 -0.068 0.000 0.944 441 S CB -0.444 62.725 63.200 -0.050 0.000 0.762 441 S HN 0.411 nan 8.310 nan 0.000 0.526 442 L N 0.258 121.487 121.223 0.010 0.000 2.529 442 L HA 0.285 4.625 4.340 -0.000 0.000 0.223 442 L C 2.114 178.951 176.870 -0.054 0.000 1.113 442 L CA 0.147 54.981 54.840 -0.010 0.000 0.861 442 L CB -0.358 41.780 42.059 0.133 0.000 1.012 442 L HN 0.297 nan 8.230 nan 0.000 0.461 443 I N -0.331 120.190 120.570 -0.081 0.000 2.163 443 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 443 I C 2.499 178.576 176.117 -0.067 0.000 1.085 443 I CA 1.235 62.457 61.300 -0.130 0.000 1.347 443 I CB -0.225 37.698 38.000 -0.128 0.000 1.044 443 I HN 0.351 nan 8.210 nan 0.000 0.408 444 Q N 0.338 120.092 119.800 -0.077 0.000 2.291 444 Q HA -0.163 4.177 4.340 -0.000 0.000 0.205 444 Q C 1.680 177.635 176.000 -0.075 0.000 0.970 444 Q CA 1.124 56.893 55.803 -0.058 0.000 0.876 444 Q CB -0.341 28.362 28.738 -0.059 0.000 0.935 444 Q HN 0.523 nan 8.270 nan 0.000 0.455 445 D N -0.412 119.912 120.400 -0.127 0.000 2.097 445 D HA -0.123 4.517 4.640 -0.000 0.000 0.195 445 D C 1.779 177.931 176.300 -0.245 0.000 0.989 445 D CA 0.889 54.760 54.000 -0.215 0.000 0.827 445 D CB -0.295 40.315 40.800 -0.317 0.000 0.966 445 D HN 0.230 nan 8.370 nan 0.000 0.456 446 F N 1.106 120.950 119.950 -0.176 0.000 2.075 446 F HA -0.098 4.429 4.527 -0.000 0.000 0.297 446 F C 2.564 178.271 175.800 -0.156 0.000 1.113 446 F CA 0.644 58.531 58.000 -0.189 0.000 1.218 446 F CB -0.299 38.546 39.000 -0.258 0.000 0.984 446 F HN -0.106 nan 8.300 nan 0.000 0.472 447 I N -0.175 120.428 120.570 0.054 0.000 2.194 447 I HA -0.293 3.877 4.170 -0.000 0.000 0.246 447 I C 2.698 178.820 176.117 0.009 0.000 1.093 447 I CA 1.574 62.882 61.300 0.014 0.000 1.355 447 I CB -1.226 36.788 38.000 0.024 0.000 1.046 447 I HN 0.236 nan 8.210 nan 0.000 0.413 448 G N -0.200 108.588 108.800 -0.021 0.000 2.432 448 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 448 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 448 G C 1.605 176.478 174.900 -0.045 0.000 1.135 448 G CA 0.737 45.817 45.100 -0.033 0.000 0.767 448 G HN 0.390 nan 8.290 nan 0.000 0.550 449 S N -0.063 115.599 115.700 -0.062 0.000 2.603 449 S HA 0.322 4.792 4.470 -0.000 0.000 0.220 449 S C 1.872 176.452 174.600 -0.034 0.000 0.967 449 S CA 0.825 58.983 58.200 -0.069 0.000 0.920 449 S CB 0.027 63.157 63.200 -0.117 0.000 0.773 449 S HN 1.146 nan 8.310 nan 0.000 0.529 450 G N 1.307 110.097 108.800 -0.016 0.000 2.176 450 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.253 450 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.253 450 G C 0.220 175.077 174.900 -0.072 0.000 0.979 450 G CA 0.215 45.307 45.100 -0.013 0.000 0.641 450 G HN 0.513 nan 8.290 nan 0.000 0.530 451 S N -0.019 115.639 115.700 -0.070 0.000 2.603 451 S HA 0.574 5.044 4.470 -0.000 0.000 0.268 451 S C 0.709 175.079 174.600 -0.383 0.000 1.317 451 S CA 0.241 58.349 58.200 -0.155 0.000 1.012 451 S CB 1.669 64.895 63.200 0.044 0.000 0.926 451 S HN 1.366 nan 8.310 nan 0.000 0.539 452 G N 1.204 109.653 108.800 -0.586 0.000 2.370 452 G HA2 0.586 4.546 3.960 -0.000 0.000 0.317 452 G HA3 0.586 4.546 3.960 -0.000 0.000 0.317 452 G C -0.917 173.798 174.900 -0.309 0.000 1.162 452 G CA -0.600 43.965 45.100 -0.891 0.000 0.922 452 G HN 0.561 nan 8.290 nan 0.000 0.454 453 L N 2.552 123.623 121.223 -0.254 0.000 2.317 453 L HA 0.522 4.862 4.340 -0.000 0.000 0.281 453 L C -0.221 176.757 176.870 0.180 0.000 1.024 453 L CA -0.810 54.013 54.840 -0.029 0.000 0.810 453 L CB 2.178 44.167 42.059 -0.116 0.000 1.240 453 L HN 0.340 nan 8.230 nan 0.000 0.427 454 I N 4.529 125.235 120.570 0.227 0.000 2.371 454 I HA 0.326 4.496 4.170 -0.000 0.000 0.282 454 I C -0.358 175.893 176.117 0.224 0.000 1.031 454 I CA -0.174 61.279 61.300 0.256 0.000 1.180 454 I CB 1.233 39.365 38.000 0.220 0.000 1.336 454 I HN 0.433 nan 8.210 nan 0.000 0.467 455 I N 9.057 129.775 120.570 0.247 0.000 2.306 455 I HA 0.227 4.397 4.170 -0.000 0.000 0.288 455 I C -1.207 175.013 176.117 0.172 0.000 1.036 455 I CA -1.606 59.858 61.300 0.272 0.000 1.221 455 I CB 1.261 39.508 38.000 0.411 0.000 1.385 455 I HN 0.363 nan 8.210 nan 0.000 0.472 456 P HA -0.067 nan 4.420 nan 0.000 0.225 456 P C -0.223 177.095 177.300 0.029 0.000 1.148 456 P CA 1.255 64.380 63.100 0.042 0.000 0.779 456 P CB 0.422 32.124 31.700 0.004 0.000 0.780 457 D N -1.105 119.332 120.400 0.062 0.000 2.602 457 D HA 0.191 4.831 4.640 -0.000 0.000 0.236 457 D C -0.036 176.387 176.300 0.205 0.000 1.209 457 D CA -0.542 53.501 54.000 0.072 0.000 0.831 457 D CB 1.877 42.686 40.800 0.016 0.000 1.478 457 D HN -0.035 nan 8.370 nan 0.000 0.438 458 Q N 0.106 119.929 119.800 0.037 0.000 2.318 458 Q HA 0.377 4.717 4.340 -0.000 0.000 0.222 458 Q C -0.609 175.410 176.000 0.032 0.000 1.003 458 Q CA -0.555 55.127 55.803 -0.203 0.000 0.936 458 Q CB 1.090 29.634 28.738 -0.325 0.000 1.204 458 Q HN 0.420 nan 8.270 nan 0.000 0.524 459 W N -0.471 120.836 121.300 0.011 0.000 2.570 459 W HA 0.438 5.098 4.660 -0.000 0.000 0.337 459 W C -0.364 176.156 176.519 0.002 0.000 1.067 459 W CA -1.104 56.210 57.345 -0.052 0.000 1.229 459 W CB 0.444 29.720 29.460 -0.308 0.000 1.355 459 W HN 0.275 nan 8.180 nan 0.000 0.555 460 E N 1.994 122.350 120.200 0.259 0.000 2.481 460 E HA -0.119 4.231 4.350 -0.000 0.000 0.263 460 E C 0.836 177.567 176.600 0.218 0.000 0.992 460 E CA 0.486 56.987 56.400 0.167 0.000 0.938 460 E CB 0.455 30.235 29.700 0.134 0.000 0.933 460 E HN 0.496 nan 8.360 nan 0.000 0.453 461 D N 1.592 122.072 120.400 0.132 0.000 2.221 461 D HA -0.185 4.455 4.640 -0.000 0.000 0.204 461 D C 1.105 177.487 176.300 0.136 0.000 0.982 461 D CA 1.434 55.516 54.000 0.137 0.000 0.857 461 D CB -0.178 40.666 40.800 0.074 0.000 0.934 461 D HN 0.551 nan 8.370 nan 0.000 0.475 462 D N 0.048 120.513 120.400 0.108 0.000 2.350 462 D HA -0.109 4.531 4.640 -0.000 0.000 0.216 462 D C 1.154 177.496 176.300 0.071 0.000 0.968 462 D CA 0.821 54.867 54.000 0.077 0.000 0.894 462 D CB -0.114 40.722 40.800 0.059 0.000 0.909 462 D HN 0.098 nan 8.370 nan 0.000 0.520 463 K N -0.716 119.747 120.400 0.104 0.000 2.402 463 K HA 0.044 4.364 4.320 -0.000 0.000 0.204 463 K C 0.627 177.198 176.600 -0.049 0.000 1.056 463 K CA 0.140 56.440 56.287 0.022 0.000 1.069 463 K CB 0.560 33.061 32.500 0.001 0.000 0.888 463 K HN -0.018 nan 8.250 nan 0.000 0.546 464 D N 1.623 122.110 120.400 0.145 0.000 2.228 464 D HA -0.166 4.474 4.640 -0.000 0.000 0.203 464 D C 1.761 178.073 176.300 0.020 0.000 0.988 464 D CA 1.802 55.937 54.000 0.224 0.000 0.864 464 D CB 0.225 41.245 40.800 0.366 0.000 0.928 464 D HN 0.146 nan 8.370 nan 0.000 0.469 465 S N -1.094 114.604 115.700 -0.003 0.000 2.423 465 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 465 S C 2.033 176.584 174.600 -0.081 0.000 1.014 465 S CA 0.804 58.991 58.200 -0.023 0.000 0.965 465 S CB -0.381 62.816 63.200 -0.004 0.000 0.785 465 S HN 0.155 nan 8.310 nan 0.000 0.495 466 V N 1.352 121.179 119.914 -0.145 0.000 2.970 466 V HA 0.098 4.218 4.120 -0.000 0.000 0.260 466 V C 0.751 176.704 176.094 -0.236 0.000 1.100 466 V CA 0.511 62.706 62.300 -0.174 0.000 1.122 466 V CB -0.752 30.954 31.823 -0.195 0.000 0.721 466 V HN 0.433 nan 8.190 nan 0.000 0.483 467 V N 0.479 120.203 119.914 -0.317 0.000 2.459 467 V HA 0.687 4.807 4.120 -0.000 0.000 0.295 467 V C 0.694 176.697 176.094 -0.151 0.000 1.029 467 V CA -0.541 61.557 62.300 -0.338 0.000 0.874 467 V CB 1.200 32.585 31.823 -0.730 0.000 0.985 467 V HN 0.296 nan 8.190 nan 0.000 0.438 468 G N 3.659 112.398 108.800 -0.101 0.000 2.361 468 G HA2 0.268 4.228 3.960 -0.000 0.000 0.260 468 G HA3 0.268 4.228 3.960 -0.000 0.000 0.260 468 G C 0.878 175.776 174.900 -0.004 0.000 1.261 468 G CA -0.454 44.624 45.100 -0.037 0.000 0.897 468 G HN 0.814 nan 8.290 nan 0.000 0.499 469 K N 2.188 122.603 120.400 0.025 0.000 2.555 469 K HA -0.083 4.237 4.320 -0.000 0.000 0.193 469 K C 0.834 177.434 176.600 -0.001 0.000 1.032 469 K CA 0.046 56.358 56.287 0.041 0.000 1.004 469 K CB -0.088 32.444 32.500 0.052 0.000 0.804 469 K HN 0.492 nan 8.250 nan 0.000 0.496 470 Q N 2.682 122.484 119.800 0.004 0.000 2.239 470 Q HA -0.025 4.315 4.340 -0.000 0.000 0.286 470 Q C -0.652 175.346 176.000 -0.004 0.000 1.102 470 Q CA 0.860 56.669 55.803 0.010 0.000 0.936 470 Q CB -0.469 28.286 28.738 0.028 0.000 1.127 470 Q HN 0.444 nan 8.270 nan 0.000 0.380 471 N N 1.543 120.219 118.700 -0.040 0.000 2.725 471 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 471 N C -1.337 173.991 175.510 -0.304 0.000 1.103 471 N CA 0.338 53.349 53.050 -0.065 0.000 0.707 471 N CB -0.756 37.894 38.487 0.271 0.000 1.043 471 N HN 0.284 nan 8.380 nan 0.000 0.553 472 V N 1.966 121.622 119.914 -0.429 0.000 2.328 472 V HA 0.344 4.464 4.120 -0.000 0.000 0.278 472 V C -0.296 175.548 176.094 -0.417 0.000 1.021 472 V CA -0.403 61.762 62.300 -0.226 0.000 0.838 472 V CB 0.357 32.198 31.823 0.030 0.000 0.999 472 V HN 0.088 nan 8.190 nan 0.000 0.447 473 Y N 4.159 124.528 120.300 0.114 0.000 2.387 473 Y HA 0.541 5.091 4.550 -0.000 0.000 0.336 473 Y C 0.080 175.964 175.900 -0.027 0.000 1.067 473 Y CA -0.927 57.189 58.100 0.026 0.000 1.114 473 Y CB 1.568 39.999 38.460 -0.048 0.000 1.208 473 Y HN 0.361 nan 8.280 nan 0.000 0.458 474 L N 5.219 126.477 121.223 0.059 0.000 2.272 474 L HA 0.408 4.748 4.340 -0.000 0.000 0.289 474 L C -1.289 175.550 176.870 -0.051 0.000 1.032 474 L CA -0.958 53.872 54.840 -0.017 0.000 0.810 474 L CB 1.122 43.154 42.059 -0.046 0.000 1.205 474 L HN 0.650 nan 8.230 nan 0.000 0.422 475 L N 5.606 126.801 121.223 -0.046 0.000 2.270 475 L HA 0.486 4.826 4.340 -0.000 0.000 0.286 475 L C -0.963 175.880 176.870 -0.046 0.000 1.059 475 L CA 0.438 55.242 54.840 -0.060 0.000 0.839 475 L CB 0.915 42.957 42.059 -0.029 0.000 1.221 475 L HN 0.682 nan 8.230 nan 0.000 0.431 476 D N 0.595 120.966 120.400 -0.048 0.000 2.665 476 D HA 0.331 4.971 4.640 -0.000 0.000 0.287 476 D C 0.660 176.944 176.300 -0.027 0.000 1.266 476 D CA 0.353 54.331 54.000 -0.036 0.000 0.830 476 D CB 1.729 42.504 40.800 -0.042 0.000 1.356 476 D HN 0.451 nan 8.370 nan 0.000 0.437 477 T N -1.797 112.745 114.554 -0.020 0.000 3.067 477 T HA 0.129 4.479 4.350 -0.000 0.000 0.261 477 T C 1.178 175.873 174.700 -0.010 0.000 1.110 477 T CA 0.296 62.389 62.100 -0.012 0.000 1.113 477 T CB -0.092 68.770 68.868 -0.010 0.000 0.917 477 T HN 0.234 nan 8.240 nan 0.000 0.499 478 S N 1.770 117.462 115.700 -0.014 0.000 2.572 478 S HA 0.113 4.583 4.470 -0.000 0.000 0.267 478 S C 1.714 176.312 174.600 -0.003 0.000 1.361 478 S CA 0.079 58.273 58.200 -0.010 0.000 1.009 478 S CB 0.670 63.860 63.200 -0.016 0.000 0.888 478 S HN 0.586 nan 8.310 nan 0.000 0.553 479 S N 1.423 117.124 115.700 0.003 0.000 2.461 479 S HA -0.040 4.430 4.470 -0.000 0.000 0.228 479 S C 1.538 176.147 174.600 0.015 0.000 1.005 479 S CA 0.724 58.930 58.200 0.011 0.000 0.942 479 S CB -0.635 62.572 63.200 0.013 0.000 0.776 479 S HN 0.979 nan 8.310 nan 0.000 0.514 480 S N 1.057 116.762 115.700 0.009 0.000 2.660 480 S HA 0.611 5.081 4.470 -0.000 0.000 0.227 480 S C 0.497 175.103 174.600 0.009 0.000 0.948 480 S CA -0.241 57.968 58.200 0.014 0.000 0.948 480 S CB -0.366 62.840 63.200 0.009 0.000 0.779 480 S HN 0.688 nan 8.310 nan 0.000 0.487 481 A N 1.209 124.029 122.820 0.000 0.000 2.331 481 A HA 0.402 4.722 4.320 -0.000 0.000 0.283 481 A C 0.859 178.438 177.584 -0.008 0.000 1.142 481 A CA -0.575 51.453 52.037 -0.016 0.000 0.812 481 A CB 0.357 19.338 19.000 -0.032 0.000 1.074 481 A HN 0.357 nan 8.150 nan 0.000 0.497 482 D N 1.312 121.706 120.400 -0.011 0.000 2.178 482 D HA -0.047 4.593 4.640 -0.000 0.000 0.202 482 D C 0.126 176.302 176.300 -0.207 0.000 0.974 482 D CA 1.574 55.580 54.000 0.009 0.000 0.841 482 D CB 0.173 41.062 40.800 0.147 0.000 0.953 482 D HN 0.555 nan 8.370 nan 0.000 0.478 483 I N 1.512 121.898 120.570 -0.305 0.000 2.464 483 I HA 0.115 4.285 4.170 -0.000 0.000 0.277 483 I C -0.139 175.895 176.117 -0.138 0.000 1.040 483 I CA -0.441 60.645 61.300 -0.355 0.000 1.153 483 I CB 1.683 39.370 38.000 -0.522 0.000 1.274 483 I HN -0.243 nan 8.210 nan 0.000 0.469 484 Q N 5.923 125.685 119.800 -0.063 0.000 2.288 484 Q HA 0.460 4.800 4.340 -0.000 0.000 0.258 484 Q C -0.980 175.013 176.000 -0.012 0.000 0.957 484 Q CA -0.324 55.464 55.803 -0.025 0.000 0.919 484 Q CB 1.208 29.946 28.738 -0.000 0.000 1.185 484 Q HN 0.599 nan 8.270 nan 0.000 0.408 485 L N 2.971 124.187 121.223 -0.010 0.000 2.399 485 L HA 0.172 4.512 4.340 -0.000 0.000 0.265 485 L C 1.155 178.031 176.870 0.010 0.000 1.089 485 L CA -0.347 54.494 54.840 0.003 0.000 0.802 485 L CB 1.078 43.136 42.059 -0.002 0.000 1.180 485 L HN 0.766 nan 8.230 nan 0.000 0.454 486 E N 0.809 121.022 120.200 0.021 0.000 2.047 486 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 486 E C 0.012 176.620 176.600 0.012 0.000 0.987 486 E CA 0.953 57.366 56.400 0.022 0.000 0.799 486 E CB 0.355 30.079 29.700 0.039 0.000 0.752 486 E HN 0.638 nan 8.360 nan 0.000 0.449 487 S N -2.353 113.351 115.700 0.007 0.000 2.579 487 S HA 0.673 5.143 4.470 -0.000 0.000 0.272 487 S C 0.557 175.152 174.600 -0.009 0.000 1.141 487 S CA -0.488 57.710 58.200 -0.002 0.000 0.843 487 S CB 1.331 64.528 63.200 -0.005 0.000 1.122 487 S HN 0.126 nan 8.310 nan 0.000 0.468 488 A N 0.828 123.640 122.820 -0.013 0.000 2.070 488 A HA -0.018 4.302 4.320 -0.000 0.000 0.220 488 A C 1.357 178.928 177.584 -0.022 0.000 1.159 488 A CA 1.694 53.721 52.037 -0.017 0.000 0.656 488 A CB -0.762 18.228 19.000 -0.016 0.000 0.800 488 A HN 0.923 nan 8.150 nan 0.000 0.453 489 D N -0.657 119.728 120.400 -0.026 0.000 2.424 489 D HA 0.066 4.706 4.640 -0.000 0.000 0.220 489 D C 0.286 176.553 176.300 -0.054 0.000 1.150 489 D CA -0.334 53.644 54.000 -0.037 0.000 0.831 489 D CB -0.698 40.080 40.800 -0.036 0.000 0.981 489 D HN 0.519 nan 8.370 nan 0.000 0.500 490 E N 2.379 122.551 120.200 -0.047 0.000 2.502 490 E HA 0.012 4.362 4.350 -0.000 0.000 0.261 490 E C -1.904 174.627 176.600 -0.116 0.000 0.974 490 E CA -1.235 55.124 56.400 -0.069 0.000 0.936 490 E CB 0.583 30.275 29.700 -0.013 0.000 0.926 490 E HN 0.069 nan 8.360 nan 0.000 0.459 491 P HA -0.081 nan 4.420 nan 0.000 0.268 491 P C 0.856 178.074 177.300 -0.137 0.000 1.204 491 P CA 0.362 63.312 63.100 -0.251 0.000 0.768 491 P CB 0.624 32.054 31.700 -0.449 0.000 0.842 492 I N 2.395 122.921 120.570 -0.075 0.000 2.103 492 I HA -0.397 3.773 4.170 -0.000 0.000 0.241 492 I C 2.578 178.704 176.117 0.015 0.000 1.036 492 I CA 2.728 64.009 61.300 -0.031 0.000 1.300 492 I CB -1.054 36.921 38.000 -0.042 0.000 1.010 492 I HN 0.453 nan 8.210 nan 0.000 0.406 493 S N -0.200 115.523 115.700 0.038 0.000 2.402 493 S HA -0.274 4.196 4.470 -0.000 0.000 0.233 493 S C 1.819 176.522 174.600 0.172 0.000 1.030 493 S CA 1.588 59.842 58.200 0.091 0.000 1.003 493 S CB -1.029 62.238 63.200 0.111 0.000 0.813 493 S HN 0.569 nan 8.310 nan 0.000 0.477 494 H N 0.895 119.958 119.070 -0.011 0.000 2.333 494 H HA 0.131 4.687 4.556 -0.000 0.000 0.302 494 H C 2.212 177.542 175.328 0.003 0.000 1.075 494 H CA 1.392 57.438 56.048 -0.003 0.000 1.348 494 H CB -0.133 29.627 29.762 -0.004 0.000 1.393 494 H HN 0.387 nan 8.280 nan 0.000 0.509 495 I N 0.693 121.344 120.570 0.134 0.000 2.226 495 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 495 I C 2.423 178.577 176.117 0.062 0.000 1.100 495 I CA 0.821 62.162 61.300 0.069 0.000 1.374 495 I CB -0.241 37.776 38.000 0.028 0.000 1.057 495 I HN 0.065 nan 8.210 nan 0.000 0.413 496 V N 0.434 120.376 119.914 0.047 0.000 2.332 496 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 496 V C 2.487 178.633 176.094 0.087 0.000 1.055 496 V CA 1.965 64.285 62.300 0.034 0.000 1.038 496 V CB -0.734 31.080 31.823 -0.016 0.000 0.651 496 V HN 0.501 nan 8.190 nan 0.000 0.450 497 Q N -0.282 119.563 119.800 0.075 0.000 2.079 497 Q HA -0.215 4.125 4.340 -0.000 0.000 0.200 497 Q C 2.383 178.442 176.000 0.098 0.000 0.974 497 Q CA 1.533 57.380 55.803 0.073 0.000 0.840 497 Q CB -0.010 28.739 28.738 0.019 0.000 0.898 497 Q HN 0.611 nan 8.270 nan 0.000 0.430 498 K N -0.487 119.967 120.400 0.089 0.000 2.057 498 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 498 K C 2.055 178.745 176.600 0.149 0.000 1.049 498 K CA 1.474 57.821 56.287 0.099 0.000 0.931 498 K CB -0.043 32.497 32.500 0.067 0.000 0.714 498 K HN 0.089 nan 8.250 nan 0.000 0.440 499 V N 1.070 121.076 119.914 0.153 0.000 2.307 499 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 499 V C 2.323 178.633 176.094 0.359 0.000 1.045 499 V CA 1.415 63.843 62.300 0.213 0.000 1.024 499 V CB -0.334 31.627 31.823 0.229 0.000 0.651 499 V HN 0.073 nan 8.190 nan 0.000 0.449 500 V N -0.089 120.064 119.914 0.399 0.000 2.287 500 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 500 V C 2.297 178.616 176.094 0.376 0.000 1.053 500 V CA 2.069 64.682 62.300 0.521 0.000 1.027 500 V CB -0.503 31.581 31.823 0.435 0.000 0.646 500 V HN 0.451 nan 8.190 nan 0.000 0.447 501 L N -1.302 120.061 121.223 0.233 0.000 2.201 501 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 501 L C 2.319 179.280 176.870 0.152 0.000 1.105 501 L CA 1.517 56.449 54.840 0.154 0.000 0.775 501 L CB -0.567 41.546 42.059 0.091 0.000 0.913 501 L HN 0.406 nan 8.230 nan 0.000 0.440 502 F N 0.845 120.817 119.950 0.036 0.000 2.113 502 F HA -0.170 4.357 4.527 -0.000 0.000 0.297 502 F C 2.171 177.919 175.800 -0.087 0.000 1.103 502 F CA 1.423 59.400 58.000 -0.039 0.000 1.248 502 F CB -0.097 38.855 39.000 -0.081 0.000 0.999 502 F HN -0.153 nan 8.300 nan 0.000 0.475 503 L N 0.244 121.488 121.223 0.035 0.000 2.131 503 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 503 L C 2.585 179.409 176.870 -0.078 0.000 1.092 503 L CA 1.489 56.202 54.840 -0.212 0.000 0.759 503 L CB -0.735 41.046 42.059 -0.463 0.000 0.903 503 L HN 0.269 nan 8.230 nan 0.000 0.435 504 E N 0.251 120.529 120.200 0.129 0.000 2.107 504 E HA -0.259 4.091 4.350 -0.000 0.000 0.191 504 E C 1.554 178.159 176.600 0.008 0.000 0.982 504 E CA 1.362 57.874 56.400 0.187 0.000 0.809 504 E CB 0.122 29.992 29.700 0.284 0.000 0.756 504 E HN 0.393 nan 8.360 nan 0.000 0.459 505 D N 0.450 120.803 120.400 -0.079 0.000 2.178 505 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 505 D C 0.722 176.888 176.300 -0.222 0.000 0.974 505 D CA 0.862 54.778 54.000 -0.140 0.000 0.841 505 D CB -0.208 40.495 40.800 -0.162 0.000 0.953 505 D HN 0.063 nan 8.370 nan 0.000 0.478 506 N N -0.847 117.657 118.700 -0.326 0.000 2.346 506 N HA 0.282 5.022 4.740 -0.000 0.000 0.225 506 N C 0.912 176.183 175.510 -0.398 0.000 1.144 506 N CA 0.570 53.412 53.050 -0.347 0.000 0.837 506 N CB 0.707 38.953 38.487 -0.402 0.000 1.069 506 N HN 0.199 nan 8.380 nan 0.000 0.487 507 G N -0.149 108.484 108.800 -0.277 0.000 2.196 507 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.268 507 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.268 507 G C 0.824 175.525 174.900 -0.332 0.000 0.975 507 G CA 0.450 45.377 45.100 -0.287 0.000 0.648 507 G HN 0.426 nan 8.290 nan 0.000 0.538 508 F N -0.664 119.108 119.950 -0.296 0.000 2.234 508 F HA 0.312 4.839 4.527 -0.000 0.000 0.299 508 F C 1.169 176.745 175.800 -0.374 0.000 1.087 508 F CA 0.841 58.609 58.000 -0.387 0.000 1.340 508 F CB -0.047 38.529 39.000 -0.706 0.000 1.031 508 F HN 0.117 nan 8.300 nan 0.000 0.500 509 F N -0.846 119.120 119.950 0.028 0.000 2.520 509 F HA 0.591 5.118 4.527 -0.000 0.000 0.322 509 F C -0.347 175.263 175.800 -0.317 0.000 1.103 509 F CA -2.063 55.820 58.000 -0.195 0.000 0.926 509 F CB 1.418 40.317 39.000 -0.169 0.000 1.154 509 F HN -0.574 nan 8.300 nan 0.000 0.453 510 V N 4.181 123.877 119.914 -0.365 0.000 2.623 510 V HA 0.500 4.620 4.120 -0.000 0.000 0.304 510 V C -0.809 174.963 176.094 -0.537 0.000 1.054 510 V CA -0.846 61.287 62.300 -0.278 0.000 0.882 510 V CB 1.580 33.326 31.823 -0.128 0.000 1.002 510 V HN 0.528 nan 8.190 nan 0.000 0.424 511 F N 0.000 119.925 119.950 -0.042 0.000 2.286 511 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 511 F CA 0.000 57.965 58.000 -0.058 0.000 1.383 511 F CB 0.000 38.931 39.000 -0.115 0.000 1.145 511 F HN 0.000 nan 8.300 nan 0.000 0.574