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 2w03_1_B DATA FIRST_RESID 7 DATA SEQUENCE DVLSRMISEK AALHGLLNCL IKEFAIPEGY LRYEWPDEMK GIPPGAYFDG DATA SEQUENCE ADWKGIPMMI GLPDQLQLFV MVDRRDTFGS QHYLSDVYLR QAXGDWQCPD DATA SEQUENCE FEPLVARLLA ACEHIAGRKN PELYEQILQS QRLVSAIVSH NGRQRADAPL DATA SEQUENCE QHYLQSEQGL WFGHPSHPAP KARLWPAHLG QEQWAPEFQA RAALHQFEVP DATA SEQUENCE VDGLHIGANG LTPQQVLDGF ADQQPASPGH AIICMHPVQA QLFMQDARVQ DATA SEQUENCE QLLRDNVIRD LGQSGRVASP TASIRTWFID DHDYFIKGSL NVRITNCVRK DATA SEQUENCE NAWYELESTV LIDRLFRQLL DQHADTLGGL VAAAEPGVVS WSPAAAGELD DATA SEQUENCE SHWFREQTGG ILRENFCRRT GAERSIMAGT LFARGVDLQP MIQTFLRTHY DATA SEQUENCE GEALDDNALL YWFDDYQTRL LRPVLSLFFN HGVVMEPHLQ NSVLVHQQGR DATA SEQUENCE PQQVLLRDFE GVKLTDDLGI RYIDDDIHPR VRQSLLYSRE QGWNRIMYCL DATA SEQUENCE FINHLSETIL ALSQGRPQLA PLMWRRVQQQ LRAIQGELKQ PSPELDALIA DATA SEQUENCE GHPVACKTNL KVRLAAXXXR QASYVRLPSP W VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.289 176.300 -0.019 0.000 2.045 7 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 7 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 8 V N 1.384 121.288 119.914 -0.017 0.000 2.446 8 V HA 0.073 4.169 4.120 -0.039 0.000 0.244 8 V C 2.461 178.540 176.094 -0.025 0.000 1.039 8 V CA 1.509 63.799 62.300 -0.017 0.000 1.045 8 V CB -0.331 31.487 31.823 -0.008 0.000 0.681 8 V HN 0.189 nan 8.190 nan 0.000 0.459 9 L N 1.732 122.939 121.223 -0.026 0.000 2.021 9 L HA -0.196 4.121 4.340 -0.039 0.000 0.215 9 L C 2.797 179.643 176.870 -0.041 0.000 1.074 9 L CA 3.017 57.838 54.840 -0.031 0.000 0.760 9 L CB -0.999 41.041 42.059 -0.031 0.000 0.889 9 L HN 0.695 nan 8.230 nan 0.000 0.433 10 S N -0.518 115.155 115.700 -0.045 0.000 2.348 10 S HA -0.318 4.128 4.470 -0.039 0.000 0.221 10 S C 2.132 176.701 174.600 -0.051 0.000 1.033 10 S CA 1.215 59.383 58.200 -0.053 0.000 1.010 10 S CB -0.865 62.299 63.200 -0.060 0.000 0.891 10 S HN 0.606 nan 8.310 nan 0.000 0.442 11 R N 1.287 121.757 120.500 -0.050 0.000 2.113 11 R HA -0.143 4.174 4.340 -0.039 0.000 0.244 11 R C 2.470 178.706 176.300 -0.107 0.000 1.142 11 R CA 2.158 58.216 56.100 -0.070 0.000 0.953 11 R CB -0.514 29.756 30.300 -0.051 0.000 0.860 11 R HN 0.476 nan 8.270 nan 0.000 0.438 12 M N 0.084 119.635 119.600 -0.081 0.000 2.213 12 M HA -0.141 4.315 4.480 -0.039 0.000 0.263 12 M C 2.298 178.535 176.300 -0.105 0.000 1.062 12 M CA 1.502 56.747 55.300 -0.091 0.000 1.105 12 M CB -0.248 32.321 32.600 -0.051 0.000 1.385 12 M HN 0.268 nan 8.290 nan 0.000 0.417 13 I N 0.003 120.529 120.570 -0.073 0.000 2.286 13 I HA -0.232 3.914 4.170 -0.039 0.000 0.245 13 I C 2.781 178.869 176.117 -0.048 0.000 1.104 13 I CA 1.412 62.679 61.300 -0.056 0.000 1.397 13 I CB -0.540 37.463 38.000 0.005 0.000 1.072 13 I HN 0.362 nan 8.210 nan 0.000 0.417 14 S N 0.928 116.611 115.700 -0.028 0.000 2.383 14 S HA -0.243 4.204 4.470 -0.039 0.000 0.229 14 S C 1.792 176.265 174.600 -0.211 0.000 1.030 14 S CA 1.539 59.726 58.200 -0.021 0.000 1.002 14 S CB -0.474 62.693 63.200 -0.054 0.000 0.829 14 S HN 0.489 nan 8.310 nan 0.000 0.467 15 E N 1.314 121.266 120.200 -0.413 0.000 2.051 15 E HA -0.137 4.189 4.350 -0.039 0.000 0.192 15 E C 2.166 178.584 176.600 -0.303 0.000 0.991 15 E CA 1.386 57.337 56.400 -0.747 0.000 0.799 15 E CB -0.190 29.063 29.700 -0.745 0.000 0.748 15 E HN 0.658 nan 8.360 nan 0.000 0.449 16 K N 0.833 121.100 120.400 -0.221 0.000 2.044 16 K HA -0.223 4.073 4.320 -0.039 0.000 0.210 16 K C 1.991 178.379 176.600 -0.354 0.000 1.049 16 K CA 1.468 57.594 56.287 -0.268 0.000 0.927 16 K CB -0.185 32.110 32.500 -0.342 0.000 0.713 16 K HN 0.128 nan 8.250 nan 0.000 0.443 17 A N 0.941 123.582 122.820 -0.298 0.000 1.829 17 A HA -0.137 4.159 4.320 -0.039 0.000 0.216 17 A C 2.418 180.017 177.584 0.025 0.000 1.207 17 A CA 2.283 54.175 52.037 -0.241 0.000 0.622 17 A CB -1.520 17.330 19.000 -0.250 0.000 0.846 17 A HN 0.492 nan 8.150 nan 0.000 0.447 18 A N -0.826 122.046 122.820 0.088 0.000 1.940 18 A HA -0.194 4.102 4.320 -0.039 0.000 0.221 18 A C 2.186 179.949 177.584 0.298 0.000 1.190 18 A CA 2.002 54.168 52.037 0.215 0.000 0.647 18 A CB -0.670 18.480 19.000 0.250 0.000 0.821 18 A HN 0.569 nan 8.150 nan 0.000 0.457 19 L N -0.772 120.656 121.223 0.342 0.000 2.056 19 L HA -0.151 4.166 4.340 -0.039 0.000 0.207 19 L C 2.261 179.258 176.870 0.211 0.000 1.078 19 L CA 2.349 57.392 54.840 0.338 0.000 0.749 19 L CB -1.414 40.875 42.059 0.383 0.000 0.901 19 L HN 0.602 nan 8.230 nan 0.000 0.433 20 H N -1.247 117.843 119.070 0.033 0.000 2.423 20 H HA -0.102 4.429 4.556 -0.041 0.000 0.297 20 H C 2.011 177.403 175.328 0.107 0.000 1.075 20 H CA 0.736 56.804 56.048 0.033 0.000 1.342 20 H CB 0.168 30.049 29.762 0.198 0.000 1.395 20 H HN 0.455 nan 8.280 nan 0.000 0.530 21 G N 1.025 109.973 108.800 0.246 0.000 2.404 21 G HA2 -0.228 3.708 3.960 -0.039 0.000 0.215 21 G HA3 -0.228 3.708 3.960 -0.039 0.000 0.215 21 G C 1.714 176.697 174.900 0.138 0.000 1.174 21 G CA 0.451 45.672 45.100 0.202 0.000 0.780 21 G HN 0.234 nan 8.290 nan 0.000 0.537 22 L N 0.350 121.640 121.223 0.113 0.000 2.083 22 L HA 0.106 4.422 4.340 -0.039 0.000 0.209 22 L C 2.724 179.606 176.870 0.019 0.000 1.083 22 L CA 1.107 55.986 54.840 0.065 0.000 0.752 22 L CB -0.222 41.876 42.059 0.064 0.000 0.899 22 L HN 0.174 nan 8.230 nan 0.000 0.433 23 L N -0.674 120.512 121.223 -0.061 0.000 1.989 23 L HA -0.289 4.028 4.340 -0.039 0.000 0.211 23 L C 2.276 179.159 176.870 0.020 0.000 1.071 23 L CA 1.783 56.523 54.840 -0.167 0.000 0.749 23 L CB -0.806 40.819 42.059 -0.723 0.000 0.890 23 L HN 0.361 nan 8.230 nan 0.000 0.431 24 N N -0.655 118.128 118.700 0.138 0.000 2.096 24 N HA -0.221 4.495 4.740 -0.039 0.000 0.195 24 N C 1.770 177.323 175.510 0.073 0.000 1.017 24 N CA 1.835 54.989 53.050 0.174 0.000 0.870 24 N CB -0.519 38.081 38.487 0.189 0.000 1.024 24 N HN 0.357 nan 8.380 nan 0.000 0.434 25 C N -0.385 118.934 119.300 0.032 0.000 2.667 25 C HA -0.011 4.425 4.460 -0.039 0.000 0.287 25 C C 2.627 177.603 174.990 -0.024 0.000 1.256 25 C CA 0.224 59.219 59.018 -0.038 0.000 1.738 25 C CB -1.369 26.346 27.740 -0.043 0.000 2.113 25 C HN 0.521 nan 8.230 nan 0.000 0.470 26 L N 1.011 122.282 121.223 0.079 0.000 2.058 26 L HA -0.264 4.053 4.340 -0.039 0.000 0.226 26 L C 2.079 179.040 176.870 0.151 0.000 1.089 26 L CA 2.257 57.218 54.840 0.202 0.000 0.799 26 L CB -0.675 41.469 42.059 0.141 0.000 0.900 26 L HN 0.367 nan 8.230 nan 0.000 0.442 27 I N -0.773 119.849 120.570 0.085 0.000 2.110 27 I HA -0.298 3.848 4.170 -0.039 0.000 0.236 27 I C 2.517 178.646 176.117 0.021 0.000 1.068 27 I CA 1.839 63.183 61.300 0.073 0.000 1.333 27 I CB -0.445 37.616 38.000 0.102 0.000 1.054 27 I HN 0.167 nan 8.210 nan 0.000 0.402 28 K N 0.141 120.538 120.400 -0.005 0.000 2.057 28 K HA -0.204 4.093 4.320 -0.039 0.000 0.207 28 K C 2.082 178.585 176.600 -0.162 0.000 1.049 28 K CA 1.649 57.904 56.287 -0.053 0.000 0.931 28 K CB -0.106 32.371 32.500 -0.037 0.000 0.714 28 K HN 0.307 nan 8.250 nan 0.000 0.440 29 E N -1.331 118.696 120.200 -0.288 0.000 2.250 29 E HA -0.007 4.319 4.350 -0.039 0.000 0.192 29 E C 1.061 177.218 176.600 -0.739 0.000 0.986 29 E CA 0.787 56.832 56.400 -0.592 0.000 0.849 29 E CB 0.300 29.475 29.700 -0.875 0.000 0.797 29 E HN 0.209 nan 8.360 nan 0.000 0.482 30 F N -1.166 118.757 119.950 -0.046 0.000 2.423 30 F HA 0.313 4.844 4.527 0.006 0.000 0.269 30 F C 2.079 177.797 175.800 -0.137 0.000 0.880 30 F CA 0.134 58.097 58.000 -0.062 0.000 1.134 30 F CB -0.403 38.618 39.000 0.035 0.000 1.143 30 F HN -0.071 nan 8.300 nan 0.000 0.802 31 A N 1.033 123.945 122.820 0.153 0.000 1.865 31 A HA -0.160 4.136 4.320 -0.039 0.000 0.217 31 A C 2.070 179.621 177.584 -0.056 0.000 1.191 31 A CA 2.053 54.128 52.037 0.064 0.000 0.623 31 A CB -1.165 17.896 19.000 0.102 0.000 0.826 31 A HN 0.411 nan 8.150 nan 0.000 0.444 32 I N -0.272 120.277 120.570 -0.034 0.000 2.333 32 I HA -0.101 4.045 4.170 -0.039 0.000 0.246 32 I C -0.559 175.511 176.117 -0.079 0.000 1.106 32 I CA 0.865 62.141 61.300 -0.039 0.000 1.411 32 I CB -1.034 36.967 38.000 0.001 0.000 1.082 32 I HN 0.244 nan 8.210 nan 0.000 0.420 33 P HA -0.140 nan 4.420 nan 0.000 0.215 33 P C 0.879 178.088 177.300 -0.152 0.000 1.157 33 P CA 1.421 64.457 63.100 -0.105 0.000 0.859 33 P CB -0.032 31.605 31.700 -0.106 0.000 0.786 34 E N -1.206 118.838 120.200 -0.259 0.000 2.437 34 E HA 0.271 4.597 4.350 -0.039 0.000 0.189 34 E C 0.696 176.942 176.600 -0.590 0.000 1.054 34 E CA 0.206 56.351 56.400 -0.425 0.000 0.874 34 E CB -0.470 28.893 29.700 -0.562 0.000 1.011 34 E HN 0.148 nan 8.360 nan 0.000 0.474 35 G N 1.497 110.081 108.800 -0.360 0.000 2.221 35 G HA2 -0.285 3.652 3.960 -0.039 0.000 0.265 35 G HA3 -0.285 3.652 3.960 -0.039 0.000 0.265 35 G C 0.033 174.912 174.900 -0.033 0.000 1.041 35 G CA 0.125 45.125 45.100 -0.167 0.000 0.807 35 G HN 0.303 nan 8.290 nan 0.000 0.502 36 Y N -1.310 118.998 120.300 0.013 0.000 2.532 36 Y HA 0.562 5.078 4.550 -0.057 0.000 0.283 36 Y C 1.222 177.111 175.900 -0.018 0.000 1.181 36 Y CA -0.974 57.128 58.100 0.003 0.000 1.256 36 Y CB 0.070 38.536 38.460 0.011 0.000 1.112 36 Y HN 0.425 nan 8.280 nan 0.000 0.521 37 L N 1.331 122.596 121.223 0.070 0.000 2.346 37 L HA 0.702 5.018 4.340 -0.039 0.000 0.276 37 L C -0.916 175.896 176.870 -0.096 0.000 1.006 37 L CA -0.591 54.223 54.840 -0.043 0.000 0.817 37 L CB 1.105 43.105 42.059 -0.098 0.000 1.272 37 L HN -0.117 nan 8.230 nan 0.000 0.421 38 R N 4.108 124.504 120.500 -0.173 0.000 2.604 38 R HA 0.256 4.573 4.340 -0.039 0.000 0.281 38 R C -1.731 174.413 176.300 -0.261 0.000 1.020 38 R CA -0.584 55.436 56.100 -0.133 0.000 0.899 38 R CB 1.370 31.658 30.300 -0.021 0.000 1.205 38 R HN 0.543 nan 8.270 nan 0.000 0.450 39 Y N 2.278 122.543 120.300 -0.059 0.000 2.724 39 Y HA 0.181 4.709 4.550 -0.035 0.000 0.332 39 Y C 0.700 176.503 175.900 -0.162 0.000 1.276 39 Y CA -0.103 57.923 58.100 -0.123 0.000 1.597 39 Y CB 0.354 38.746 38.460 -0.112 0.000 1.584 39 Y HN 0.479 nan 8.280 nan 0.000 0.478 40 E N -0.380 119.752 120.200 -0.113 0.000 2.423 40 E HA 0.285 4.612 4.350 -0.039 0.000 0.280 40 E C -1.619 174.863 176.600 -0.197 0.000 1.030 40 E CA -1.223 55.090 56.400 -0.144 0.000 0.812 40 E CB 0.972 30.673 29.700 0.002 0.000 1.313 40 E HN 0.267 nan 8.360 nan 0.000 0.456 41 W N 1.904 123.183 121.300 -0.036 0.000 2.202 41 W HA 0.313 4.951 4.660 -0.037 0.000 0.332 41 W C -1.790 174.668 176.519 -0.101 0.000 1.263 41 W CA -0.954 56.319 57.345 -0.119 0.000 1.223 41 W CB 0.284 29.600 29.460 -0.240 0.000 1.128 41 W HN 0.379 nan 8.180 nan 0.000 0.573 42 P HA 0.069 nan 4.420 nan 0.000 0.279 42 P C 0.132 177.473 177.300 0.067 0.000 1.276 42 P CA -0.108 63.054 63.100 0.105 0.000 0.801 42 P CB 1.117 32.924 31.700 0.179 0.000 1.127 43 D N -1.057 119.395 120.400 0.087 0.000 2.085 43 D HA -0.087 4.530 4.640 -0.039 0.000 0.199 43 D C 0.320 176.638 176.300 0.029 0.000 0.981 43 D CA 1.546 55.572 54.000 0.045 0.000 0.834 43 D CB -0.710 40.114 40.800 0.040 0.000 0.992 43 D HN 0.250 nan 8.370 nan 0.000 0.457 44 E N -0.202 120.043 120.200 0.076 0.000 2.197 44 E HA 0.194 4.521 4.350 -0.039 0.000 0.281 44 E C 0.582 177.257 176.600 0.126 0.000 0.995 44 E CA -0.292 56.156 56.400 0.080 0.000 0.808 44 E CB 1.607 31.356 29.700 0.081 0.000 1.093 44 E HN 0.142 nan 8.360 nan 0.000 0.394 45 M N 1.465 121.066 119.600 0.001 0.000 2.367 45 M HA 0.082 4.539 4.480 -0.039 0.000 0.256 45 M C 0.576 176.873 176.300 -0.005 0.000 1.091 45 M CA -0.029 55.183 55.300 -0.147 0.000 1.049 45 M CB -0.321 32.109 32.600 -0.283 0.000 1.406 45 M HN 0.270 nan 8.290 nan 0.000 0.498 46 K N 1.230 121.682 120.400 0.086 0.000 2.504 46 K HA 0.098 4.394 4.320 -0.039 0.000 0.278 46 K C 1.109 177.803 176.600 0.156 0.000 1.025 46 K CA 1.472 57.814 56.287 0.091 0.000 1.093 46 K CB 0.109 32.652 32.500 0.072 0.000 0.873 46 K HN 0.465 nan 8.250 nan 0.000 0.483 47 G N 3.722 112.582 108.800 0.101 0.000 2.313 47 G HA2 -0.234 3.702 3.960 -0.039 0.000 0.215 47 G HA3 -0.234 3.702 3.960 -0.039 0.000 0.215 47 G C 0.048 174.951 174.900 0.006 0.000 1.023 47 G CA -0.042 45.138 45.100 0.134 0.000 0.626 47 G HN 0.582 nan 8.290 nan 0.000 0.503 48 I N 3.737 124.194 120.570 -0.189 0.000 2.322 48 I HA 0.378 4.524 4.170 -0.039 0.000 0.292 48 I C -2.058 174.027 176.117 -0.052 0.000 1.060 48 I CA -1.943 59.083 61.300 -0.456 0.000 1.309 48 I CB 1.212 38.788 38.000 -0.707 0.000 1.415 48 I HN -0.076 nan 8.210 nan 0.000 0.492 49 P HA 0.147 nan 4.420 nan 0.000 0.275 49 P C -1.890 175.457 177.300 0.078 0.000 1.227 49 P CA -1.295 61.861 63.100 0.093 0.000 0.781 49 P CB 0.145 31.916 31.700 0.119 0.000 0.906 50 P HA -0.276 nan 4.420 nan 0.000 0.219 50 P C 1.497 178.619 177.300 -0.297 0.000 1.161 50 P CA 2.263 65.197 63.100 -0.276 0.000 0.909 50 P CB -0.666 31.017 31.700 -0.028 0.000 0.793 51 G N -0.584 108.185 108.800 -0.053 0.000 2.527 51 G HA2 -0.139 3.797 3.960 -0.039 0.000 0.219 51 G HA3 -0.139 3.797 3.960 -0.039 0.000 0.219 51 G C 1.647 176.584 174.900 0.062 0.000 1.117 51 G CA 0.829 45.924 45.100 -0.008 0.000 0.759 51 G HN 0.438 nan 8.290 nan 0.000 0.556 52 A N 0.260 123.156 122.820 0.126 0.000 1.930 52 A HA 0.199 4.495 4.320 -0.039 0.000 0.215 52 A C 1.945 179.776 177.584 0.412 0.000 1.176 52 A CA 1.514 53.743 52.037 0.321 0.000 0.632 52 A CB -0.254 19.020 19.000 0.456 0.000 0.819 52 A HN 0.780 nan 8.150 nan 0.000 0.445 53 Y N -5.185 115.350 120.300 0.392 0.000 2.499 53 Y HA 0.636 5.162 4.550 -0.039 0.000 0.253 53 Y C 0.051 176.377 175.900 0.710 0.000 1.105 53 Y CA -1.501 56.931 58.100 0.553 0.000 1.240 53 Y CB 0.155 39.033 38.460 0.697 0.000 1.289 53 Y HN 0.068 nan 8.280 nan 0.000 0.534 54 F N 3.296 123.203 119.950 -0.072 0.000 2.551 54 F HA 0.500 5.003 4.527 -0.040 0.000 0.316 54 F C -0.211 175.545 175.800 -0.074 0.000 1.089 54 F CA -1.969 55.998 58.000 -0.055 0.000 0.915 54 F CB 1.885 40.722 39.000 -0.272 0.000 1.186 54 F HN 0.087 nan 8.300 nan 0.000 0.456 55 D N 1.439 121.420 120.400 -0.698 0.000 2.469 55 D HA 0.356 4.972 4.640 -0.039 0.000 0.213 55 D C 1.247 177.101 176.300 -0.743 0.000 1.135 55 D CA 0.617 54.303 54.000 -0.524 0.000 0.834 55 D CB 0.692 41.356 40.800 -0.226 0.000 1.009 55 D HN 0.943 nan 8.370 nan 0.000 0.507 56 G N 0.323 108.215 108.800 -1.514 0.000 2.604 56 G HA2 -0.242 3.694 3.960 -0.039 0.000 0.205 56 G HA3 -0.242 3.694 3.960 -0.039 0.000 0.205 56 G C 1.307 175.881 174.900 -0.543 0.000 1.186 56 G CA 0.220 44.760 45.100 -0.933 0.000 0.753 56 G HN 0.776 nan 8.290 nan 0.000 0.526 57 A N -0.693 121.900 122.820 -0.378 0.000 1.924 57 A HA 0.545 4.841 4.320 -0.039 0.000 0.211 57 A C 0.920 178.461 177.584 -0.071 0.000 1.198 57 A CA 2.278 54.230 52.037 -0.142 0.000 0.657 57 A CB 0.118 19.053 19.000 -0.109 0.000 0.852 57 A HN 0.615 nan 8.150 nan 0.000 0.454 58 D N -3.715 116.609 120.400 -0.128 0.000 2.759 58 D HA 0.383 4.999 4.640 -0.039 0.000 0.321 58 D C -1.479 174.776 176.300 -0.075 0.000 1.267 58 D CA -0.817 53.091 54.000 -0.153 0.000 0.933 58 D CB 0.327 41.100 40.800 -0.045 0.000 1.431 58 D HN 0.215 nan 8.370 nan 0.000 0.504 59 W N 1.048 122.550 121.300 0.336 0.000 2.150 59 W HA 0.314 4.952 4.660 -0.038 0.000 0.341 59 W C 1.357 178.045 176.519 0.280 0.000 1.276 59 W CA -0.510 57.075 57.345 0.399 0.000 1.238 59 W CB 0.499 30.260 29.460 0.502 0.000 1.128 59 W HN 0.046 nan 8.180 nan 0.000 0.581 60 K N 2.447 123.190 120.400 0.572 0.000 2.836 60 K HA 0.228 4.524 4.320 -0.039 0.000 0.236 60 K C 0.726 177.501 176.600 0.291 0.000 1.015 60 K CA 0.540 57.029 56.287 0.336 0.000 1.194 60 K CB -0.571 32.110 32.500 0.301 0.000 1.002 60 K HN 0.802 nan 8.250 nan 0.000 0.479 61 G N 1.011 110.015 108.800 0.339 0.000 2.460 61 G HA2 -0.182 3.754 3.960 -0.039 0.000 0.207 61 G HA3 -0.182 3.754 3.960 -0.039 0.000 0.207 61 G C -0.885 174.120 174.900 0.175 0.000 1.170 61 G CA -0.910 44.321 45.100 0.217 0.000 1.151 61 G HN 0.164 nan 8.290 nan 0.000 0.575 62 I N 2.378 122.969 120.570 0.036 0.000 2.433 62 I HA 0.414 4.561 4.170 -0.039 0.000 0.292 62 I C -2.198 173.763 176.117 -0.261 0.000 1.001 62 I CA -2.263 58.980 61.300 -0.094 0.000 1.119 62 I CB 2.380 40.361 38.000 -0.032 0.000 1.289 62 I HN 0.253 nan 8.210 nan 0.000 0.438 63 P HA 0.024 nan 4.420 nan 0.000 0.264 63 P C -0.825 176.211 177.300 -0.441 0.000 1.229 63 P CA 0.159 62.788 63.100 -0.786 0.000 0.780 63 P CB 0.731 31.565 31.700 -1.443 0.000 0.808 64 M N 5.286 124.598 119.600 -0.481 0.000 2.364 64 M HA 0.470 4.927 4.480 -0.039 0.000 0.334 64 M C -1.204 174.919 176.300 -0.295 0.000 1.107 64 M CA -0.693 54.370 55.300 -0.396 0.000 0.988 64 M CB 1.313 33.708 32.600 -0.342 0.000 1.673 64 M HN 0.222 nan 8.290 nan 0.000 0.441 65 M N 5.980 125.464 119.600 -0.194 0.000 2.395 65 M HA 0.548 5.004 4.480 -0.039 0.000 0.307 65 M C -1.425 174.869 176.300 -0.010 0.000 1.091 65 M CA -0.583 54.717 55.300 -0.001 0.000 0.919 65 M CB 2.476 35.113 32.600 0.062 0.000 1.662 65 M HN 0.649 nan 8.290 nan 0.000 0.440 66 I N 1.474 122.089 120.570 0.076 0.000 2.447 66 I HA 0.389 4.535 4.170 -0.039 0.000 0.287 66 I C 0.433 176.595 176.117 0.076 0.000 1.023 66 I CA -0.738 60.605 61.300 0.073 0.000 1.083 66 I CB 2.122 40.165 38.000 0.071 0.000 1.245 66 I HN 0.833 nan 8.210 nan 0.000 0.434 67 G N 7.513 116.343 108.800 0.051 0.000 2.639 67 G HA2 0.467 4.403 3.960 -0.039 0.000 0.312 67 G HA3 0.467 4.403 3.960 -0.039 0.000 0.312 67 G C -0.216 174.596 174.900 -0.148 0.000 0.911 67 G CA -0.369 44.713 45.100 -0.030 0.000 1.410 67 G HN 0.492 nan 8.290 nan 0.000 0.469 68 L N 4.196 125.339 121.223 -0.135 0.000 2.407 68 L HA 0.195 4.511 4.340 -0.039 0.000 0.282 68 L C -1.776 174.938 176.870 -0.260 0.000 1.110 68 L CA -1.647 53.064 54.840 -0.216 0.000 0.863 68 L CB 1.397 43.389 42.059 -0.112 0.000 1.207 68 L HN 0.297 nan 8.230 nan 0.000 0.454 69 P HA 0.033 nan 4.420 nan 0.000 0.235 69 P C -0.616 176.603 177.300 -0.134 0.000 1.720 69 P CA 0.344 63.258 63.100 -0.310 0.000 1.003 69 P CB 0.041 31.471 31.700 -0.449 0.000 1.968 70 D N 0.344 120.673 120.400 -0.118 0.000 2.640 70 D HA 0.019 4.636 4.640 -0.039 0.000 0.282 70 D C 0.693 176.926 176.300 -0.111 0.000 1.558 70 D CA -0.155 53.786 54.000 -0.098 0.000 0.820 70 D CB 0.275 41.008 40.800 -0.111 0.000 1.243 70 D HN 0.115 nan 8.370 nan 0.000 0.456 71 Q N -0.235 119.502 119.800 -0.106 0.000 2.324 71 Q HA -0.227 4.089 4.340 -0.039 0.000 0.200 71 Q C 0.001 175.926 176.000 -0.126 0.000 0.645 71 Q CA 0.694 56.431 55.803 -0.109 0.000 1.377 71 Q CB -0.998 27.678 28.738 -0.103 0.000 1.486 71 Q HN 0.303 nan 8.270 nan 0.000 0.796 72 L N 1.800 122.950 121.223 -0.123 0.000 2.275 72 L HA 0.287 4.604 4.340 -0.039 0.000 0.288 72 L C -0.184 176.626 176.870 -0.101 0.000 1.046 72 L CA 0.225 54.993 54.840 -0.120 0.000 0.805 72 L CB 1.077 43.074 42.059 -0.103 0.000 1.193 72 L HN 0.012 nan 8.230 nan 0.000 0.426 73 Q N 5.114 124.845 119.800 -0.115 0.000 2.387 73 Q HA 0.679 4.995 4.340 -0.039 0.000 0.273 73 Q C -1.459 174.604 176.000 0.105 0.000 1.089 73 Q CA -0.809 54.976 55.803 -0.030 0.000 0.824 73 Q CB 3.062 31.759 28.738 -0.070 0.000 1.367 73 Q HN 0.646 nan 8.270 nan 0.000 0.443 74 L N 1.448 122.839 121.223 0.280 0.000 2.408 74 L HA 0.700 5.016 4.340 -0.039 0.000 0.268 74 L C -1.915 175.246 176.870 0.485 0.000 0.986 74 L CA -0.842 54.241 54.840 0.406 0.000 0.820 74 L CB 1.481 43.652 42.059 0.186 0.000 1.303 74 L HN 0.736 nan 8.230 nan 0.000 0.411 75 F N 5.512 125.668 119.950 0.343 0.000 2.520 75 F HA 0.815 5.317 4.527 -0.041 0.000 0.322 75 F C -1.454 174.364 175.800 0.029 0.000 1.103 75 F CA -0.501 57.483 58.000 -0.026 0.000 0.926 75 F CB 1.914 40.481 39.000 -0.722 0.000 1.154 75 F HN 0.321 nan 8.300 nan 0.000 0.453 76 V N 7.171 126.559 119.914 -0.877 0.000 2.924 76 V HA 0.348 4.444 4.120 -0.039 0.000 0.300 76 V C -1.251 174.406 176.094 -0.729 0.000 1.227 76 V CA -0.888 61.059 62.300 -0.588 0.000 0.954 76 V CB 2.289 33.989 31.823 -0.206 0.000 1.055 76 V HN 0.724 nan 8.190 nan 0.000 0.429 77 M N 6.204 125.539 119.600 -0.441 0.000 2.146 77 M HA 0.403 4.859 4.480 -0.039 0.000 0.352 77 M C -0.145 176.118 176.300 -0.063 0.000 1.343 77 M CA -0.022 55.134 55.300 -0.239 0.000 1.115 77 M CB 0.790 33.395 32.600 0.008 0.000 1.657 77 M HN 0.622 nan 8.290 nan 0.000 0.471 78 V N 1.327 121.207 119.914 -0.056 0.000 3.093 78 V HA 0.527 4.623 4.120 -0.039 0.000 0.320 78 V C 0.750 176.853 176.094 0.016 0.000 1.093 78 V CA -0.690 61.604 62.300 -0.010 0.000 1.016 78 V CB 1.625 33.442 31.823 -0.010 0.000 1.096 78 V HN 0.839 nan 8.190 nan 0.000 0.452 79 D N 0.313 120.721 120.400 0.013 0.000 2.340 79 D HA 0.074 4.690 4.640 -0.039 0.000 0.220 79 D C 0.542 176.857 176.300 0.025 0.000 1.039 79 D CA 0.302 54.331 54.000 0.047 0.000 0.866 79 D CB 0.183 41.038 40.800 0.092 0.000 0.913 79 D HN 0.912 nan 8.370 nan 0.000 0.523 80 R N -0.657 119.838 120.500 -0.007 0.000 2.833 80 R HA 0.260 4.577 4.340 -0.039 0.000 0.259 80 R C -1.453 174.783 176.300 -0.106 0.000 1.047 80 R CA -0.989 55.081 56.100 -0.050 0.000 0.916 80 R CB 0.680 30.961 30.300 -0.032 0.000 1.259 80 R HN -0.069 nan 8.270 nan 0.000 0.482 81 R N 1.743 122.080 120.500 -0.272 0.000 2.340 81 R HA 0.455 4.771 4.340 -0.039 0.000 0.300 81 R C -1.118 175.055 176.300 -0.213 0.000 1.069 81 R CA -0.647 55.132 56.100 -0.535 0.000 0.984 81 R CB 0.821 30.580 30.300 -0.901 0.000 1.003 81 R HN 0.613 nan 8.270 nan 0.000 0.459 82 D N 1.597 121.962 120.400 -0.059 0.000 2.970 82 D HA 0.068 4.685 4.640 -0.039 0.000 0.230 82 D C 0.778 177.089 176.300 0.018 0.000 1.276 82 D CA -0.484 53.504 54.000 -0.019 0.000 0.910 82 D CB 2.035 42.852 40.800 0.029 0.000 1.590 82 D HN 0.622 nan 8.370 nan 0.000 0.551 83 T N 0.654 115.147 114.554 -0.101 0.000 2.803 83 T HA -0.149 4.177 4.350 -0.039 0.000 0.269 83 T C 1.479 176.242 174.700 0.104 0.000 1.052 83 T CA 0.926 62.965 62.100 -0.101 0.000 1.136 83 T CB -0.225 68.431 68.868 -0.354 0.000 0.864 83 T HN 0.304 nan 8.240 nan 0.000 0.467 84 F N 1.715 121.600 119.950 -0.108 0.000 2.765 84 F HA 0.486 4.990 4.527 -0.038 0.000 0.302 84 F C 2.174 177.979 175.800 0.009 0.000 1.111 84 F CA -0.988 56.978 58.000 -0.056 0.000 1.359 84 F CB -0.696 38.287 39.000 -0.028 0.000 1.097 84 F HN 0.449 nan 8.300 nan 0.000 0.577 85 G N -0.165 108.748 108.800 0.188 0.000 2.184 85 G HA2 -0.300 3.636 3.960 -0.039 0.000 0.264 85 G HA3 -0.300 3.636 3.960 -0.039 0.000 0.264 85 G C 0.578 175.530 174.900 0.087 0.000 0.975 85 G CA 0.464 45.642 45.100 0.131 0.000 0.642 85 G HN 0.244 nan 8.290 nan 0.000 0.536 86 S N 2.267 118.038 115.700 0.119 0.000 2.670 86 S HA 0.433 4.879 4.470 -0.039 0.000 0.328 86 S C 0.459 174.996 174.600 -0.106 0.000 1.179 86 S CA 0.788 59.007 58.200 0.032 0.000 1.194 86 S CB 0.322 63.608 63.200 0.144 0.000 1.359 86 S HN 0.885 nan 8.310 nan 0.000 0.555 87 Q N 2.153 121.788 119.800 -0.276 0.000 2.501 87 Q HA 0.409 4.725 4.340 -0.039 0.000 0.288 87 Q C -1.565 174.010 176.000 -0.708 0.000 1.051 87 Q CA -0.917 54.648 55.803 -0.397 0.000 0.788 87 Q CB 0.947 29.525 28.738 -0.268 0.000 1.469 87 Q HN 0.572 nan 8.270 nan 0.000 0.416 88 H N 0.350 119.208 119.070 -0.353 0.000 2.489 88 H HA 0.401 4.934 4.556 -0.038 0.000 0.322 88 H C -1.086 174.003 175.328 -0.399 0.000 1.091 88 H CA -0.278 55.566 56.048 -0.340 0.000 1.291 88 H CB 0.710 30.410 29.762 -0.102 0.000 1.436 88 H HN 0.384 nan 8.280 nan 0.000 0.480 89 Y N 2.891 123.190 120.300 -0.000 0.000 2.365 89 Y HA 0.125 4.655 4.550 -0.035 0.000 0.340 89 Y C 0.692 176.611 175.900 0.032 0.000 1.016 89 Y CA -0.524 57.500 58.100 -0.127 0.000 1.196 89 Y CB 0.617 38.775 38.460 -0.504 0.000 1.167 89 Y HN 0.545 nan 8.280 nan 0.000 0.509 90 L N 2.767 124.088 121.223 0.163 0.000 2.857 90 L HA 0.257 4.573 4.340 -0.039 0.000 0.249 90 L C 0.173 177.149 176.870 0.176 0.000 1.172 90 L CA -0.053 54.883 54.840 0.160 0.000 0.980 90 L CB -0.104 42.033 42.059 0.130 0.000 1.299 90 L HN 0.664 nan 8.230 nan 0.000 0.535 91 S N -2.960 112.849 115.700 0.181 0.000 2.607 91 S HA 0.480 4.927 4.470 -0.039 0.000 0.273 91 S C -0.829 173.885 174.600 0.189 0.000 1.148 91 S CA -0.991 57.338 58.200 0.216 0.000 0.833 91 S CB 2.334 65.690 63.200 0.261 0.000 1.130 91 S HN -0.092 nan 8.310 nan 0.000 0.470 92 D N 0.574 121.089 120.400 0.191 0.000 2.352 92 D HA 0.369 4.986 4.640 -0.039 0.000 0.238 92 D C -0.037 176.259 176.300 -0.008 0.000 1.286 92 D CA -0.066 53.964 54.000 0.050 0.000 0.923 92 D CB 0.287 41.038 40.800 -0.082 0.000 1.146 92 D HN 0.451 nan 8.370 nan 0.000 0.471 93 V N 0.714 120.549 119.914 -0.133 0.000 2.532 93 V HA 0.340 4.436 4.120 -0.039 0.000 0.295 93 V C -0.653 175.331 176.094 -0.183 0.000 1.041 93 V CA -0.524 61.738 62.300 -0.063 0.000 0.926 93 V CB 0.675 32.471 31.823 -0.045 0.000 0.992 93 V HN 0.350 nan 8.190 nan 0.000 0.457 94 Y N 3.782 124.240 120.300 0.263 0.000 2.536 94 Y HA 0.788 5.315 4.550 -0.039 0.000 0.347 94 Y C -0.086 176.170 175.900 0.593 0.000 1.000 94 Y CA -0.801 57.551 58.100 0.419 0.000 1.051 94 Y CB 1.965 40.690 38.460 0.441 0.000 1.259 94 Y HN 0.419 nan 8.280 nan 0.000 0.468 95 L N 1.960 123.562 121.223 0.633 0.000 2.327 95 L HA 0.757 5.073 4.340 -0.039 0.000 0.258 95 L C -0.498 176.339 176.870 -0.054 0.000 1.024 95 L CA -1.139 53.879 54.840 0.296 0.000 0.825 95 L CB 2.595 44.729 42.059 0.126 0.000 1.386 95 L HN 0.544 nan 8.230 nan 0.000 0.417 96 R N -0.323 119.958 120.500 -0.365 0.000 2.922 96 R HA 0.500 4.817 4.340 -0.039 0.000 0.256 96 R C -0.556 175.571 176.300 -0.288 0.000 1.138 96 R CA -0.568 55.225 56.100 -0.512 0.000 0.995 96 R CB 2.020 31.743 30.300 -0.962 0.000 1.226 96 R HN 0.555 nan 8.270 nan 0.000 0.481 97 Q N -0.218 119.429 119.800 -0.255 0.000 2.170 97 Q HA 0.449 4.765 4.340 -0.039 0.000 0.165 97 Q C -1.179 174.727 176.000 -0.157 0.000 0.599 97 Q CA 1.018 56.718 55.803 -0.171 0.000 0.844 97 Q CB 0.898 29.560 28.738 -0.126 0.000 1.139 97 Q HN 0.795 nan 8.270 nan 0.000 0.388 101 D N -0.290 120.022 120.400 -0.148 0.000 2.256 101 D HA 0.537 5.153 4.640 -0.039 0.000 0.246 101 D C -0.590 175.677 176.300 -0.054 0.000 1.042 101 D CA -0.121 53.837 54.000 -0.070 0.000 0.841 101 D CB 1.168 41.976 40.800 0.014 0.000 1.223 101 D HN 0.342 nan 8.370 nan 0.000 0.470 102 W N 1.408 122.720 121.300 0.019 0.000 2.150 102 W HA 0.340 4.974 4.660 -0.043 0.000 0.341 102 W C 0.664 177.288 176.519 0.175 0.000 1.276 102 W CA -0.106 57.286 57.345 0.080 0.000 1.238 102 W CB 0.560 30.007 29.460 -0.021 0.000 1.128 102 W HN 0.159 nan 8.180 nan 0.000 0.581 103 Q N 1.542 121.703 119.800 0.601 0.000 2.353 103 Q HA 0.377 4.694 4.340 -0.039 0.000 0.275 103 Q C -1.711 174.523 176.000 0.390 0.000 1.029 103 Q CA -0.739 55.312 55.803 0.414 0.000 0.848 103 Q CB 1.841 30.705 28.738 0.209 0.000 1.390 103 Q HN 0.617 nan 8.270 nan 0.000 0.401 104 C N 5.599 125.027 119.300 0.213 0.000 2.566 104 C HA 0.586 5.022 4.460 -0.039 0.000 0.300 104 C C -2.214 172.772 174.990 -0.007 0.000 1.147 104 C CA -1.460 57.513 59.018 -0.076 0.000 1.644 104 C CB -0.527 27.081 27.740 -0.220 0.000 1.691 104 C HN 0.557 nan 8.230 nan 0.000 0.440 105 P HA 0.305 nan 4.420 nan 0.000 0.277 105 P C -0.092 177.232 177.300 0.040 0.000 1.240 105 P CA 0.134 63.255 63.100 0.034 0.000 0.798 105 P CB 0.854 32.571 31.700 0.028 0.000 0.979 106 D N 0.267 120.704 120.400 0.062 0.000 2.325 106 D HA -0.080 4.536 4.640 -0.039 0.000 0.237 106 D C 1.029 177.411 176.300 0.136 0.000 1.328 106 D CA -0.003 54.059 54.000 0.103 0.000 0.918 106 D CB 0.185 41.049 40.800 0.107 0.000 1.156 106 D HN 0.315 nan 8.370 nan 0.000 0.485 107 F N 0.496 120.464 119.950 0.029 0.000 2.084 107 F HA -0.113 4.398 4.527 -0.026 0.000 0.296 107 F C 2.420 178.256 175.800 0.061 0.000 1.111 107 F CA 1.635 59.656 58.000 0.034 0.000 1.224 107 F CB -0.179 38.837 39.000 0.027 0.000 0.991 107 F HN 0.408 nan 8.300 nan 0.000 0.471 108 E N 0.265 120.506 120.200 0.069 0.000 2.048 108 E HA -0.234 4.093 4.350 -0.039 0.000 0.202 108 E C -0.525 176.081 176.600 0.010 0.000 1.021 108 E CA 2.312 58.720 56.400 0.015 0.000 0.825 108 E CB -1.131 28.647 29.700 0.131 0.000 0.756 108 E HN 0.261 nan 8.360 nan 0.000 0.454 109 P HA -0.149 nan 4.420 nan 0.000 0.216 109 P C 1.325 178.597 177.300 -0.047 0.000 1.150 109 P CA 0.805 63.899 63.100 -0.009 0.000 0.837 109 P CB -0.023 31.682 31.700 0.008 0.000 0.786 110 L N -0.784 120.398 121.223 -0.069 0.000 2.141 110 L HA -0.085 4.232 4.340 -0.039 0.000 0.209 110 L C 1.986 178.783 176.870 -0.123 0.000 1.094 110 L CA 1.777 56.569 54.840 -0.080 0.000 0.763 110 L CB -1.058 40.967 42.059 -0.057 0.000 0.908 110 L HN -0.181 nan 8.230 nan 0.000 0.437 111 V N -0.301 119.493 119.914 -0.201 0.000 2.346 111 V HA -0.124 3.972 4.120 -0.039 0.000 0.244 111 V C 2.779 178.867 176.094 -0.010 0.000 1.037 111 V CA 1.164 63.378 62.300 -0.143 0.000 1.029 111 V CB -1.234 30.424 31.823 -0.277 0.000 0.663 111 V HN 0.538 nan 8.190 nan 0.000 0.454 112 A N 0.273 123.089 122.820 -0.007 0.000 1.923 112 A HA -0.374 3.922 4.320 -0.039 0.000 0.222 112 A C 2.371 179.851 177.584 -0.173 0.000 1.258 112 A CA 2.924 54.820 52.037 -0.236 0.000 0.670 112 A CB -0.577 18.292 19.000 -0.219 0.000 0.834 112 A HN 0.519 nan 8.150 nan 0.000 0.470 113 R N -1.691 118.742 120.500 -0.111 0.000 2.128 113 R HA 0.283 4.600 4.340 -0.039 0.000 0.211 113 R C 2.195 178.450 176.300 -0.076 0.000 1.067 113 R CA 0.653 56.695 56.100 -0.097 0.000 1.010 113 R CB -0.260 29.994 30.300 -0.077 0.000 0.922 113 R HN 0.506 nan 8.270 nan 0.000 0.457 114 L N 0.664 121.853 121.223 -0.056 0.000 2.046 114 L HA -0.198 4.119 4.340 -0.039 0.000 0.208 114 L C 2.302 179.150 176.870 -0.036 0.000 1.077 114 L CA 1.034 55.852 54.840 -0.038 0.000 0.747 114 L CB -0.311 41.733 42.059 -0.025 0.000 0.896 114 L HN 0.210 nan 8.230 nan 0.000 0.432 115 L N -0.304 120.901 121.223 -0.030 0.000 2.017 115 L HA -0.168 4.149 4.340 -0.039 0.000 0.208 115 L C 2.633 179.470 176.870 -0.056 0.000 1.073 115 L CA 1.897 56.727 54.840 -0.017 0.000 0.745 115 L CB -0.529 41.538 42.059 0.013 0.000 0.894 115 L HN 0.149 nan 8.230 nan 0.000 0.432 116 A N -0.265 122.502 122.820 -0.089 0.000 1.940 116 A HA -0.185 4.112 4.320 -0.039 0.000 0.219 116 A C 2.433 179.962 177.584 -0.091 0.000 1.176 116 A CA 1.978 53.954 52.037 -0.103 0.000 0.631 116 A CB -1.193 17.730 19.000 -0.129 0.000 0.814 116 A HN 0.648 nan 8.150 nan 0.000 0.446 117 A N -0.910 121.854 122.820 -0.094 0.000 1.855 117 A HA -0.163 4.134 4.320 -0.039 0.000 0.215 117 A C 2.307 179.800 177.584 -0.151 0.000 1.191 117 A CA 1.587 53.563 52.037 -0.102 0.000 0.613 117 A CB -1.403 17.538 19.000 -0.099 0.000 0.829 117 A HN 0.613 nan 8.150 nan 0.000 0.442 118 C N -0.425 118.763 119.300 -0.186 0.000 2.396 118 C HA -0.159 4.277 4.460 -0.039 0.000 0.277 118 C C 2.632 177.448 174.990 -0.291 0.000 1.231 118 C CA 1.385 60.184 59.018 -0.365 0.000 1.775 118 C CB -1.519 26.150 27.740 -0.119 0.000 2.036 118 C HN 0.695 nan 8.230 nan 0.000 0.484 119 E N -0.932 119.197 120.200 -0.117 0.000 2.085 119 E HA -0.239 4.088 4.350 -0.039 0.000 0.194 119 E C 2.049 178.632 176.600 -0.029 0.000 0.994 119 E CA 1.206 57.574 56.400 -0.053 0.000 0.801 119 E CB -0.348 29.336 29.700 -0.026 0.000 0.743 119 E HN 0.760 nan 8.360 nan 0.000 0.453 120 H N 0.278 119.259 119.070 -0.148 0.000 2.389 120 H HA -0.051 4.465 4.556 -0.066 0.000 0.299 120 H C 2.020 177.264 175.328 -0.140 0.000 1.081 120 H CA 1.127 57.098 56.048 -0.129 0.000 1.345 120 H CB 0.183 29.866 29.762 -0.130 0.000 1.393 120 H HN 0.142 nan 8.280 nan 0.000 0.520 121 I N 0.127 120.564 120.570 -0.221 0.000 2.546 121 I HA -0.101 4.045 4.170 -0.039 0.000 0.255 121 I C 2.281 178.286 176.117 -0.186 0.000 1.163 121 I CA 0.822 61.963 61.300 -0.265 0.000 1.457 121 I CB -0.056 37.714 38.000 -0.382 0.000 1.092 121 I HN 0.193 nan 8.210 nan 0.000 0.434 122 A N 0.350 123.073 122.820 -0.163 0.000 2.348 122 A HA 0.461 4.758 4.320 -0.039 0.000 0.224 122 A C 1.951 179.530 177.584 -0.009 0.000 1.227 122 A CA 0.538 52.578 52.037 0.004 0.000 0.885 122 A CB -0.310 18.770 19.000 0.133 0.000 0.933 122 A HN 0.481 nan 8.150 nan 0.000 0.506 123 G N -0.044 108.725 108.800 -0.052 0.000 2.343 123 G HA2 -0.353 3.584 3.960 -0.039 0.000 0.264 123 G HA3 -0.353 3.584 3.960 -0.039 0.000 0.264 123 G C 0.550 175.450 174.900 -0.001 0.000 0.989 123 G CA 1.074 46.155 45.100 -0.032 0.000 0.627 123 G HN 0.674 nan 8.290 nan 0.000 0.549 124 R N 0.024 120.530 120.500 0.008 0.000 2.598 124 R HA 0.721 5.038 4.340 -0.039 0.000 0.279 124 R C 0.046 176.356 176.300 0.017 0.000 0.984 124 R CA -0.639 55.471 56.100 0.017 0.000 0.999 124 R CB 1.483 31.799 30.300 0.027 0.000 1.114 124 R HN 0.178 nan 8.270 nan 0.000 0.493 125 K N 1.450 121.860 120.400 0.016 0.000 2.371 125 K HA 0.297 4.593 4.320 -0.039 0.000 0.251 125 K C -1.360 175.252 176.600 0.020 0.000 0.934 125 K CA -0.761 55.533 56.287 0.012 0.000 0.798 125 K CB 1.575 34.076 32.500 0.002 0.000 1.204 125 K HN 0.396 nan 8.250 nan 0.000 0.427 126 N N 4.531 123.247 118.700 0.026 0.000 2.577 126 N HA 0.270 4.986 4.740 -0.039 0.000 0.275 126 N C -2.097 173.443 175.510 0.050 0.000 1.091 126 N CA -1.975 51.097 53.050 0.037 0.000 0.843 126 N CB 1.704 40.215 38.487 0.041 0.000 1.295 126 N HN 0.324 nan 8.380 nan 0.000 0.530 127 P HA -0.161 nan 4.420 nan 0.000 0.215 127 P C 0.965 178.320 177.300 0.092 0.000 1.157 127 P CA 1.111 64.246 63.100 0.058 0.000 0.874 127 P CB 0.658 32.383 31.700 0.040 0.000 0.790 128 E N -0.329 119.912 120.200 0.068 0.000 2.049 128 E HA -0.192 4.135 4.350 -0.039 0.000 0.198 128 E C 1.959 178.601 176.600 0.069 0.000 1.007 128 E CA 0.808 57.245 56.400 0.061 0.000 0.809 128 E CB -1.241 28.486 29.700 0.046 0.000 0.749 128 E HN -0.038 nan 8.360 nan 0.000 0.450 129 L N 0.118 121.386 121.223 0.075 0.000 2.021 129 L HA -0.243 4.074 4.340 -0.039 0.000 0.215 129 L C 2.145 179.074 176.870 0.098 0.000 1.074 129 L CA 2.161 57.047 54.840 0.077 0.000 0.760 129 L CB -1.357 40.747 42.059 0.076 0.000 0.889 129 L HN 0.366 nan 8.230 nan 0.000 0.433 130 Y N 0.965 121.266 120.300 0.002 0.000 2.053 130 Y HA -0.261 4.260 4.550 -0.048 0.000 0.277 130 Y C 2.489 178.391 175.900 0.004 0.000 1.159 130 Y CA 2.397 60.492 58.100 -0.008 0.000 1.125 130 Y CB -0.334 38.115 38.460 -0.018 0.000 0.969 130 Y HN 0.399 nan 8.280 nan 0.000 0.492 131 E N 0.063 120.235 120.200 -0.046 0.000 2.204 131 E HA -0.226 4.100 4.350 -0.039 0.000 0.194 131 E C 2.069 178.594 176.600 -0.124 0.000 0.989 131 E CA 1.317 57.633 56.400 -0.140 0.000 0.824 131 E CB -0.414 29.284 29.700 -0.003 0.000 0.756 131 E HN 0.698 nan 8.360 nan 0.000 0.477 132 Q N 0.511 120.275 119.800 -0.060 0.000 2.096 132 Q HA -0.113 4.203 4.340 -0.039 0.000 0.204 132 Q C 2.403 178.373 176.000 -0.050 0.000 0.982 132 Q CA 1.231 57.010 55.803 -0.041 0.000 0.850 132 Q CB -0.222 28.517 28.738 0.002 0.000 0.901 132 Q HN 0.333 nan 8.270 nan 0.000 0.422 133 I N 0.457 120.982 120.570 -0.076 0.000 2.226 133 I HA -0.280 3.866 4.170 -0.039 0.000 0.245 133 I C 1.995 178.092 176.117 -0.033 0.000 1.100 133 I CA 1.098 62.374 61.300 -0.040 0.000 1.374 133 I CB -0.382 37.594 38.000 -0.041 0.000 1.057 133 I HN 0.191 nan 8.210 nan 0.000 0.413 134 L N -0.008 121.113 121.223 -0.170 0.000 2.201 134 L HA -0.165 4.152 4.340 -0.039 0.000 0.212 134 L C 2.608 179.469 176.870 -0.015 0.000 1.105 134 L CA 1.030 55.826 54.840 -0.073 0.000 0.775 134 L CB -0.628 41.306 42.059 -0.209 0.000 0.913 134 L HN 0.339 nan 8.230 nan 0.000 0.440 135 Q N -0.422 119.351 119.800 -0.045 0.000 2.137 135 Q HA -0.159 4.158 4.340 -0.039 0.000 0.198 135 Q C 2.462 178.454 176.000 -0.012 0.000 0.960 135 Q CA 1.373 57.157 55.803 -0.032 0.000 0.847 135 Q CB 0.132 28.837 28.738 -0.056 0.000 0.915 135 Q HN 0.410 nan 8.270 nan 0.000 0.448 136 S N 0.282 115.982 115.700 0.000 0.000 2.370 136 S HA -0.216 4.231 4.470 -0.039 0.000 0.226 136 S C 1.885 176.519 174.600 0.057 0.000 1.033 136 S CA 1.563 59.778 58.200 0.025 0.000 1.011 136 S CB -0.162 63.067 63.200 0.048 0.000 0.852 136 S HN 0.398 nan 8.310 nan 0.000 0.457 137 Q N 0.620 120.470 119.800 0.083 0.000 2.123 137 Q HA -0.016 4.301 4.340 -0.039 0.000 0.199 137 Q C 2.274 178.288 176.000 0.022 0.000 0.966 137 Q CA 1.078 56.925 55.803 0.072 0.000 0.845 137 Q CB -0.236 28.589 28.738 0.145 0.000 0.907 137 Q HN 0.556 nan 8.270 nan 0.000 0.439 138 R N -0.057 120.460 120.500 0.028 0.000 2.090 138 R HA -0.099 4.218 4.340 -0.039 0.000 0.228 138 R C 2.386 178.701 176.300 0.026 0.000 1.110 138 R CA 0.739 56.849 56.100 0.017 0.000 0.973 138 R CB -0.303 30.007 30.300 0.017 0.000 0.869 138 R HN 0.190 nan 8.270 nan 0.000 0.440 139 L N 0.985 122.227 121.223 0.031 0.000 1.989 139 L HA -0.166 4.151 4.340 -0.039 0.000 0.211 139 L C 2.230 179.140 176.870 0.067 0.000 1.071 139 L CA 1.594 56.470 54.840 0.060 0.000 0.749 139 L CB -0.724 41.365 42.059 0.050 0.000 0.890 139 L HN -0.109 nan 8.230 nan 0.000 0.431 140 V N -1.001 118.940 119.914 0.045 0.000 2.317 140 V HA -0.365 3.732 4.120 -0.039 0.000 0.251 140 V C 2.729 178.814 176.094 -0.015 0.000 1.065 140 V CA 1.856 64.169 62.300 0.021 0.000 1.049 140 V CB -1.238 30.633 31.823 0.080 0.000 0.651 140 V HN 0.636 nan 8.190 nan 0.000 0.450 141 S N -0.084 115.612 115.700 -0.006 0.000 2.444 141 S HA -0.332 4.115 4.470 -0.039 0.000 0.225 141 S C 2.230 176.826 174.600 -0.008 0.000 1.042 141 S CA 2.449 60.637 58.200 -0.021 0.000 1.132 141 S CB -0.766 62.421 63.200 -0.022 0.000 1.099 141 S HN 0.768 nan 8.310 nan 0.000 0.417 142 A N 1.279 124.134 122.820 0.057 0.000 1.957 142 A HA -0.264 4.032 4.320 -0.039 0.000 0.224 142 A C 2.163 179.843 177.584 0.160 0.000 1.287 142 A CA 2.493 54.632 52.037 0.169 0.000 0.682 142 A CB -1.363 17.780 19.000 0.239 0.000 0.833 142 A HN 0.687 nan 8.150 nan 0.000 0.482 143 I N -1.077 119.495 120.570 0.003 0.000 2.133 143 I HA -0.210 3.937 4.170 -0.039 0.000 0.238 143 I C 2.403 178.245 176.117 -0.458 0.000 1.074 143 I CA 1.426 62.529 61.300 -0.329 0.000 1.342 143 I CB -0.474 37.400 38.000 -0.210 0.000 1.053 143 I HN 0.213 nan 8.210 nan 0.000 0.404 144 V N 0.024 119.695 119.914 -0.406 0.000 2.282 144 V HA -0.347 3.749 4.120 -0.039 0.000 0.249 144 V C 2.609 178.496 176.094 -0.345 0.000 1.057 144 V CA 2.359 64.374 62.300 -0.475 0.000 1.032 144 V CB -0.814 30.849 31.823 -0.268 0.000 0.645 144 V HN 0.491 nan 8.190 nan 0.000 0.447 145 S N -0.710 114.879 115.700 -0.185 0.000 2.368 145 S HA -0.294 4.152 4.470 -0.039 0.000 0.225 145 S C 2.081 176.628 174.600 -0.089 0.000 1.030 145 S CA 2.125 60.262 58.200 -0.105 0.000 0.999 145 S CB -0.442 62.746 63.200 -0.021 0.000 0.844 145 S HN 0.896 nan 8.310 nan 0.000 0.459 146 H N 0.596 119.548 119.070 -0.197 0.000 2.436 146 H HA 0.218 4.750 4.556 -0.039 0.000 0.294 146 H C 1.736 176.882 175.328 -0.303 0.000 1.048 146 H CA 1.618 57.555 56.048 -0.184 0.000 1.353 146 H CB -0.119 29.583 29.762 -0.101 0.000 1.414 146 H HN 0.405 nan 8.280 nan 0.000 0.536 147 N N 0.089 118.519 118.700 -0.450 0.000 2.336 147 N HA -0.000 4.716 4.740 -0.039 0.000 0.189 147 N C 1.473 176.696 175.510 -0.479 0.000 1.113 147 N CA 0.626 53.327 53.050 -0.582 0.000 0.858 147 N CB 0.447 38.287 38.487 -1.078 0.000 0.970 147 N HN 0.452 nan 8.380 nan 0.000 0.471 148 G N 0.801 109.370 108.800 -0.384 0.000 2.916 148 G HA2 -0.134 3.802 3.960 -0.039 0.000 0.205 148 G HA3 -0.134 3.802 3.960 -0.039 0.000 0.205 148 G C 1.310 176.097 174.900 -0.189 0.000 1.163 148 G CA 0.040 44.972 45.100 -0.279 0.000 0.821 148 G HN 0.282 nan 8.290 nan 0.000 0.515 149 R N -0.771 119.615 120.500 -0.190 0.000 2.509 149 R HA 0.162 4.478 4.340 -0.039 0.000 0.297 149 R C 0.953 177.191 176.300 -0.102 0.000 0.951 149 R CA -0.214 55.807 56.100 -0.131 0.000 1.103 149 R CB 0.368 30.591 30.300 -0.130 0.000 1.283 149 R HN 0.569 nan 8.270 nan 0.000 0.534 150 Q N 1.099 120.837 119.800 -0.103 0.000 2.180 150 Q HA 0.288 4.605 4.340 -0.039 0.000 0.241 150 Q C -0.394 175.598 176.000 -0.015 0.000 0.970 150 Q CA -0.899 54.874 55.803 -0.049 0.000 0.919 150 Q CB 1.171 29.894 28.738 -0.024 0.000 1.222 150 Q HN -0.076 nan 8.270 nan 0.000 0.482 151 R N 0.131 120.635 120.500 0.008 0.000 2.504 151 R HA -0.033 4.283 4.340 -0.039 0.000 0.291 151 R C 0.831 177.163 176.300 0.053 0.000 0.974 151 R CA 0.811 56.925 56.100 0.023 0.000 1.077 151 R CB 0.217 30.532 30.300 0.025 0.000 0.926 151 R HN 0.853 nan 8.270 nan 0.000 0.407 152 A N 4.044 126.893 122.820 0.048 0.000 2.009 152 A HA -0.230 4.067 4.320 -0.039 0.000 0.222 152 A C 0.988 178.646 177.584 0.123 0.000 1.175 152 A CA 2.106 54.192 52.037 0.080 0.000 0.651 152 A CB -0.269 18.765 19.000 0.058 0.000 0.815 152 A HN 0.936 nan 8.150 nan 0.000 0.459 153 D N -2.136 118.323 120.400 0.097 0.000 2.513 153 D HA 0.440 5.056 4.640 -0.039 0.000 0.222 153 D C 1.250 177.608 176.300 0.096 0.000 1.210 153 D CA 0.555 54.612 54.000 0.095 0.000 0.825 153 D CB -0.526 40.330 40.800 0.094 0.000 1.037 153 D HN 0.289 nan 8.370 nan 0.000 0.506 154 A N 1.896 124.775 122.820 0.098 0.000 1.948 154 A HA -0.108 4.188 4.320 -0.039 0.000 0.220 154 A C -0.153 177.474 177.584 0.071 0.000 1.177 154 A CA 1.289 53.380 52.037 0.089 0.000 0.636 154 A CB -1.465 17.585 19.000 0.084 0.000 0.815 154 A HN 0.220 nan 8.150 nan 0.000 0.449 155 P HA -0.174 nan 4.420 nan 0.000 0.217 155 P C 1.176 178.446 177.300 -0.051 0.000 1.148 155 P CA 1.010 64.059 63.100 -0.085 0.000 0.834 155 P CB -0.169 31.387 31.700 -0.240 0.000 0.783 156 L N -1.538 119.683 121.223 -0.004 0.000 2.395 156 L HA -0.072 4.244 4.340 -0.039 0.000 0.218 156 L C 2.035 179.025 176.870 0.200 0.000 1.130 156 L CA 0.714 55.557 54.840 0.006 0.000 0.826 156 L CB -0.766 41.234 42.059 -0.099 0.000 0.941 156 L HN -0.064 nan 8.230 nan 0.000 0.451 157 Q N -0.979 118.946 119.800 0.209 0.000 2.437 157 Q HA 0.031 4.347 4.340 -0.039 0.000 0.210 157 Q C 0.261 176.423 176.000 0.269 0.000 0.972 157 Q CA 0.895 56.848 55.803 0.250 0.000 0.903 157 Q CB -0.174 28.673 28.738 0.182 0.000 0.967 157 Q HN 0.371 nan 8.270 nan 0.000 0.486 158 H N -1.900 117.240 119.070 0.116 0.000 3.123 158 H HA -0.006 4.527 4.556 -0.040 0.000 0.346 158 H C -0.361 175.002 175.328 0.059 0.000 1.138 158 H CA -0.611 55.495 56.048 0.096 0.000 1.273 158 H CB 0.541 30.337 29.762 0.058 0.000 1.926 158 H HN 0.003 nan 8.280 nan 0.000 0.524 159 Y N 4.286 124.595 120.300 0.015 0.000 2.014 159 Y HA -0.337 4.189 4.550 -0.039 0.000 0.272 159 Y C 2.029 177.904 175.900 -0.041 0.000 1.164 159 Y CA 2.580 60.673 58.100 -0.012 0.000 1.114 159 Y CB 0.018 38.423 38.460 -0.090 0.000 0.961 159 Y HN 0.537 nan 8.280 nan 0.000 0.489 160 L N 1.010 122.082 121.223 -0.251 0.000 2.081 160 L HA -0.268 4.049 4.340 -0.039 0.000 0.212 160 L C 2.003 178.673 176.870 -0.334 0.000 1.080 160 L CA 1.980 56.518 54.840 -0.502 0.000 0.754 160 L CB -1.019 40.914 42.059 -0.210 0.000 0.893 160 L HN 0.373 nan 8.230 nan 0.000 0.433 161 Q N -0.735 118.965 119.800 -0.165 0.000 2.230 161 Q HA -0.076 4.241 4.340 -0.039 0.000 0.202 161 Q C 2.488 178.343 176.000 -0.242 0.000 0.963 161 Q CA 1.431 57.140 55.803 -0.157 0.000 0.866 161 Q CB -0.470 28.230 28.738 -0.062 0.000 0.931 161 Q HN 0.780 nan 8.270 nan 0.000 0.452 162 S N -0.395 115.156 115.700 -0.248 0.000 2.446 162 S HA -0.021 4.426 4.470 -0.039 0.000 0.225 162 S C 1.587 175.978 174.600 -0.347 0.000 1.016 162 S CA 0.377 58.410 58.200 -0.278 0.000 0.943 162 S CB 0.026 63.120 63.200 -0.176 0.000 0.786 162 S HN 0.155 nan 8.310 nan 0.000 0.508 163 E N 1.359 121.293 120.200 -0.444 0.000 2.274 163 E HA 0.018 4.344 4.350 -0.039 0.000 0.194 163 E C 1.589 178.001 176.600 -0.314 0.000 0.996 163 E CA 0.669 56.827 56.400 -0.404 0.000 0.840 163 E CB -0.125 29.229 29.700 -0.577 0.000 0.772 163 E HN 0.727 nan 8.360 nan 0.000 0.491 164 Q N -0.981 118.620 119.800 -0.331 0.000 2.280 164 Q HA 0.131 4.448 4.340 -0.039 0.000 0.201 164 Q C 1.189 176.853 176.000 -0.561 0.000 0.890 164 Q CA 0.221 55.844 55.803 -0.300 0.000 0.947 164 Q CB 1.024 29.649 28.738 -0.189 0.000 1.081 164 Q HN 0.111 nan 8.270 nan 0.000 0.502 165 G N 0.181 108.513 108.800 -0.780 0.000 3.274 165 G HA2 0.072 4.008 3.960 -0.039 0.000 0.250 165 G HA3 0.072 4.008 3.960 -0.039 0.000 0.250 165 G C 0.034 174.118 174.900 -1.360 0.000 1.024 165 G CA -0.254 43.919 45.100 -1.544 0.000 0.840 165 G HN 0.175 nan 8.290 nan 0.000 0.522 166 L N 1.545 122.355 121.223 -0.689 0.000 2.505 166 L HA 0.363 4.680 4.340 -0.039 0.000 0.279 166 L C 0.838 177.522 176.870 -0.311 0.000 1.211 166 L CA -0.501 54.097 54.840 -0.404 0.000 1.059 166 L CB -0.475 41.458 42.059 -0.211 0.000 1.340 166 L HN 0.338 nan 8.230 nan 0.000 0.447 167 W N 2.375 123.542 121.300 -0.222 0.000 2.453 167 W HA -0.011 4.624 4.660 -0.042 0.000 0.289 167 W C 1.367 177.610 176.519 -0.460 0.000 1.215 167 W CA 0.036 57.110 57.345 -0.452 0.000 1.297 167 W CB -0.317 28.637 29.460 -0.844 0.000 1.113 167 W HN 0.417 nan 8.180 nan 0.000 0.551 168 F N 0.041 120.127 119.950 0.226 0.000 2.619 168 F HA 0.379 4.881 4.527 -0.041 0.000 0.293 168 F C 1.934 177.797 175.800 0.105 0.000 1.119 168 F CA 0.824 58.914 58.000 0.151 0.000 1.445 168 F CB -0.817 38.270 39.000 0.145 0.000 1.119 168 F HN -0.015 nan 8.300 nan 0.000 0.573 169 G N -0.237 108.690 108.800 0.211 0.000 2.525 169 G HA2 -0.297 3.640 3.960 -0.039 0.000 0.248 169 G HA3 -0.297 3.640 3.960 -0.039 0.000 0.248 169 G C -0.420 174.578 174.900 0.163 0.000 1.238 169 G CA -0.267 44.903 45.100 0.118 0.000 0.926 169 G HN 0.373 nan 8.290 nan 0.000 0.574 170 H N 3.785 122.874 119.070 0.031 0.000 3.187 170 H HA 0.201 4.738 4.556 -0.031 0.000 0.286 170 H C -0.645 174.757 175.328 0.123 0.000 0.944 170 H CA -0.340 55.738 56.048 0.050 0.000 1.429 170 H CB 1.139 30.906 29.762 0.009 0.000 1.483 170 H HN 0.279 nan 8.280 nan 0.000 0.555 171 P HA 0.013 nan 4.420 nan 0.000 0.236 171 P C -0.066 177.414 177.300 0.300 0.000 1.177 171 P CA 0.343 63.621 63.100 0.298 0.000 0.773 171 P CB 0.731 32.554 31.700 0.205 0.000 0.878 172 S N -0.466 115.469 115.700 0.392 0.000 2.617 172 S HA 0.211 4.657 4.470 -0.039 0.000 0.237 172 S C -0.509 174.025 174.600 -0.111 0.000 1.142 172 S CA -0.344 57.951 58.200 0.159 0.000 1.167 172 S CB -0.156 63.170 63.200 0.210 0.000 1.068 172 S HN 0.212 nan 8.310 nan 0.000 0.470 173 H N 1.711 120.662 119.070 -0.199 0.000 2.894 173 H HA 0.346 4.885 4.556 -0.029 0.000 0.367 173 H C -2.671 172.607 175.328 -0.084 0.000 1.144 173 H CA -1.511 54.356 56.048 -0.302 0.000 1.180 173 H CB 2.607 32.032 29.762 -0.560 0.000 1.758 173 H HN -0.053 nan 8.280 nan 0.000 0.541 174 P HA 0.070 nan 4.420 nan 0.000 0.218 174 P C 0.057 177.496 177.300 0.231 0.000 1.152 174 P CA 0.595 63.778 63.100 0.137 0.000 0.826 174 P CB 0.633 32.350 31.700 0.028 0.000 0.790 175 A N 0.705 123.755 122.820 0.383 0.000 3.165 175 A HA 0.416 4.713 4.320 -0.039 0.000 0.331 175 A C -1.603 175.964 177.584 -0.028 0.000 1.034 175 A CA -1.303 50.831 52.037 0.162 0.000 0.906 175 A CB 0.166 19.235 19.000 0.115 0.000 1.054 175 A HN 0.019 nan 8.150 nan 0.000 0.484 176 P HA -0.144 nan 4.420 nan 0.000 0.219 176 P C 0.494 177.743 177.300 -0.085 0.000 1.146 176 P CA 1.394 64.428 63.100 -0.110 0.000 0.808 176 P CB 0.313 32.059 31.700 0.078 0.000 0.779 177 K N -1.091 119.289 120.400 -0.032 0.000 2.506 177 K HA 0.314 4.610 4.320 -0.039 0.000 0.204 177 K C 0.379 176.935 176.600 -0.073 0.000 1.045 177 K CA -0.409 55.858 56.287 -0.032 0.000 1.074 177 K CB 0.822 33.331 32.500 0.016 0.000 0.842 177 K HN -0.037 nan 8.250 nan 0.000 0.514 178 A N 2.169 124.938 122.820 -0.084 0.000 2.655 178 A HA 0.206 4.503 4.320 -0.039 0.000 0.297 178 A C -0.180 177.297 177.584 -0.178 0.000 1.461 178 A CA -0.037 51.935 52.037 -0.109 0.000 1.146 178 A CB -0.321 18.646 19.000 -0.054 0.000 1.108 178 A HN 0.166 nan 8.150 nan 0.000 0.550 179 R N 1.531 121.844 120.500 -0.312 0.000 2.514 179 R HA 0.641 4.957 4.340 -0.039 0.000 0.301 179 R C -1.202 174.681 176.300 -0.696 0.000 0.962 179 R CA -0.509 55.255 56.100 -0.560 0.000 0.882 179 R CB 1.533 31.288 30.300 -0.908 0.000 1.143 179 R HN 0.544 nan 8.270 nan 0.000 0.452 180 L N 3.336 124.226 121.223 -0.556 0.000 2.502 180 L HA 0.434 4.750 4.340 -0.039 0.000 0.249 180 L C -1.401 175.408 176.870 -0.101 0.000 1.446 180 L CA -0.495 54.167 54.840 -0.297 0.000 0.887 180 L CB 0.096 42.078 42.059 -0.128 0.000 1.126 180 L HN 0.588 nan 8.230 nan 0.000 0.509 181 W N 0.340 121.648 121.300 0.013 0.000 2.799 181 W HA 0.811 5.450 4.660 -0.034 0.000 0.349 181 W C -2.607 173.933 176.519 0.035 0.000 1.100 181 W CA -3.379 53.964 57.345 -0.004 0.000 1.174 181 W CB -0.612 28.805 29.460 -0.071 0.000 1.427 181 W HN -0.103 nan 8.180 nan 0.000 0.547 182 P HA 0.103 nan 4.420 nan 0.000 0.256 182 P C 0.641 178.165 177.300 0.374 0.000 1.173 182 P CA 0.602 63.918 63.100 0.360 0.000 0.768 182 P CB 0.374 32.366 31.700 0.486 0.000 0.758 183 A N 3.530 126.573 122.820 0.372 0.000 2.255 183 A HA -0.114 4.183 4.320 -0.039 0.000 0.206 183 A C 1.300 179.060 177.584 0.293 0.000 1.193 183 A CA 0.438 52.659 52.037 0.307 0.000 0.794 183 A CB -1.052 18.063 19.000 0.192 0.000 0.794 183 A HN 0.703 nan 8.150 nan 0.000 0.481 184 H N -1.819 117.345 119.070 0.156 0.000 2.526 184 H HA 0.278 4.810 4.556 -0.040 0.000 0.274 184 H C 0.999 176.418 175.328 0.150 0.000 0.999 184 H CA -0.006 56.116 56.048 0.124 0.000 1.157 184 H CB -0.428 29.389 29.762 0.091 0.000 1.407 184 H HN 0.442 nan 8.280 nan 0.000 0.568 185 L N 0.296 121.428 121.223 -0.152 0.000 2.616 185 L HA 0.266 4.582 4.340 -0.039 0.000 0.229 185 L C 1.001 178.051 176.870 0.300 0.000 1.110 185 L CA 0.350 55.185 54.840 -0.009 0.000 0.884 185 L CB 0.218 42.170 42.059 -0.179 0.000 1.115 185 L HN 0.554 nan 8.230 nan 0.000 0.481 186 G N -0.065 108.914 108.800 0.297 0.000 2.877 186 G HA2 -0.250 3.686 3.960 -0.039 0.000 0.279 186 G HA3 -0.250 3.686 3.960 -0.039 0.000 0.279 186 G C 0.089 175.314 174.900 0.542 0.000 1.431 186 G CA -0.041 45.231 45.100 0.287 0.000 0.883 186 G HN 0.141 nan 8.290 nan 0.000 0.547 187 Q N -0.394 119.587 119.800 0.302 0.000 2.642 187 Q HA 0.077 4.394 4.340 -0.039 0.000 0.202 187 Q C 2.550 178.615 176.000 0.109 0.000 0.845 187 Q CA 1.077 57.113 55.803 0.389 0.000 0.873 187 Q CB -0.252 28.587 28.738 0.168 0.000 1.190 187 Q HN 0.933 nan 8.270 nan 0.000 0.642 188 E N 1.074 121.119 120.200 -0.259 0.000 2.510 188 E HA -0.175 4.152 4.350 -0.039 0.000 0.202 188 E C 1.296 177.654 176.600 -0.404 0.000 1.072 188 E CA 0.752 56.822 56.400 -0.550 0.000 0.883 188 E CB -0.025 28.877 29.700 -1.331 0.000 0.818 188 E HN 0.216 nan 8.360 nan 0.000 0.548 189 Q N -0.398 119.068 119.800 -0.557 0.000 2.331 189 Q HA 0.014 4.330 4.340 -0.039 0.000 0.203 189 Q C 0.370 175.897 176.000 -0.789 0.000 0.944 189 Q CA 1.062 56.370 55.803 -0.825 0.000 0.892 189 Q CB 0.011 27.961 28.738 -1.313 0.000 0.983 189 Q HN 0.550 nan 8.270 nan 0.000 0.482 190 W N -0.301 121.038 121.300 0.066 0.000 2.966 190 W HA 0.588 5.224 4.660 -0.040 0.000 0.406 190 W C -0.168 176.429 176.519 0.129 0.000 1.027 190 W CA -0.671 56.724 57.345 0.083 0.000 1.930 190 W CB 0.730 30.204 29.460 0.023 0.000 1.144 190 W HN -0.165 nan 8.180 nan 0.000 0.626 191 A N 1.018 123.987 122.820 0.247 0.000 2.318 191 A HA 0.504 4.800 4.320 -0.039 0.000 0.317 191 A C -1.794 175.895 177.584 0.174 0.000 1.159 191 A CA -1.485 50.709 52.037 0.261 0.000 0.799 191 A CB 1.341 20.563 19.000 0.370 0.000 1.194 191 A HN -0.114 nan 8.150 nan 0.000 0.479 192 P HA -0.119 nan 4.420 nan 0.000 0.221 192 P C 0.509 177.828 177.300 0.032 0.000 1.145 192 P CA 1.264 64.374 63.100 0.018 0.000 0.795 192 P CB 0.324 31.994 31.700 -0.050 0.000 0.775 193 E N -2.175 118.069 120.200 0.073 0.000 2.502 193 E HA 0.070 4.396 4.350 -0.039 0.000 0.194 193 E C 0.427 176.870 176.600 -0.262 0.000 1.062 193 E CA 0.403 56.821 56.400 0.031 0.000 0.867 193 E CB -0.666 29.052 29.700 0.029 0.000 0.888 193 E HN 0.335 nan 8.360 nan 0.000 0.510 194 F N -0.044 119.879 119.950 -0.044 0.000 2.764 194 F HA 0.155 4.657 4.527 -0.041 0.000 0.310 194 F C -0.021 175.740 175.800 -0.064 0.000 1.124 194 F CA -0.528 57.334 58.000 -0.230 0.000 1.252 194 F CB 0.436 39.244 39.000 -0.320 0.000 1.010 194 F HN -0.247 nan 8.300 nan 0.000 0.518 195 Q N -0.374 119.498 119.800 0.120 0.000 2.461 195 Q HA -0.230 4.087 4.340 -0.039 0.000 0.264 195 Q C 0.443 176.490 176.000 0.078 0.000 1.085 195 Q CA 0.762 56.620 55.803 0.092 0.000 1.006 195 Q CB -2.072 26.731 28.738 0.108 0.000 1.437 195 Q HN 0.421 nan 8.270 nan 0.000 0.514 196 A N 0.612 123.478 122.820 0.077 0.000 2.520 196 A HA 0.446 4.743 4.320 -0.039 0.000 0.235 196 A C 0.360 177.981 177.584 0.062 0.000 1.065 196 A CA 0.350 52.411 52.037 0.039 0.000 0.764 196 A CB 0.456 19.462 19.000 0.011 0.000 1.002 196 A HN 0.318 nan 8.150 nan 0.000 0.502 197 R N 0.288 120.822 120.500 0.056 0.000 2.673 197 R HA 0.684 5.001 4.340 -0.039 0.000 0.281 197 R C -0.885 175.490 176.300 0.125 0.000 0.991 197 R CA -0.323 55.846 56.100 0.115 0.000 0.896 197 R CB 2.483 32.822 30.300 0.066 0.000 1.201 197 R HN 0.962 nan 8.270 nan 0.000 0.457 198 A N 1.218 124.183 122.820 0.242 0.000 2.539 198 A HA 0.786 5.083 4.320 -0.039 0.000 0.296 198 A C -1.185 176.417 177.584 0.029 0.000 1.073 198 A CA -0.719 51.419 52.037 0.168 0.000 0.700 198 A CB 1.841 21.078 19.000 0.394 0.000 1.296 198 A HN 0.748 nan 8.150 nan 0.000 0.405 199 A N 1.336 124.137 122.820 -0.032 0.000 2.366 199 A HA 0.606 4.903 4.320 -0.039 0.000 0.272 199 A C 0.012 177.476 177.584 -0.200 0.000 1.135 199 A CA -0.198 51.768 52.037 -0.119 0.000 0.804 199 A CB -0.248 18.697 19.000 -0.092 0.000 1.064 199 A HN 0.840 nan 8.150 nan 0.000 0.499 200 L N 2.243 123.260 121.223 -0.344 0.000 2.453 200 L HA 0.166 4.482 4.340 -0.039 0.000 0.261 200 L C 1.129 177.854 176.870 -0.242 0.000 1.179 200 L CA -0.280 54.296 54.840 -0.441 0.000 0.813 200 L CB 0.390 42.098 42.059 -0.585 0.000 1.110 200 L HN 0.751 nan 8.230 nan 0.000 0.466 201 H N 2.654 121.558 119.070 -0.276 0.000 2.690 201 H HA 0.228 4.760 4.556 -0.039 0.000 0.314 201 H C -0.850 174.312 175.328 -0.277 0.000 1.069 201 H CA -0.221 55.678 56.048 -0.249 0.000 1.436 201 H CB 0.881 30.522 29.762 -0.202 0.000 1.462 201 H HN 0.574 nan 8.280 nan 0.000 0.511 202 Q N 3.472 122.885 119.800 -0.645 0.000 2.241 202 Q HA 0.412 4.728 4.340 -0.039 0.000 0.262 202 Q C -1.153 174.482 176.000 -0.608 0.000 1.014 202 Q CA -0.776 54.775 55.803 -0.420 0.000 0.885 202 Q CB 2.146 30.717 28.738 -0.278 0.000 1.311 202 Q HN 0.480 nan 8.270 nan 0.000 0.461 203 F N 0.056 119.918 119.950 -0.147 0.000 2.591 203 F HA 0.214 4.717 4.527 -0.040 0.000 0.309 203 F C -0.426 175.292 175.800 -0.136 0.000 1.098 203 F CA -0.770 57.154 58.000 -0.127 0.000 0.937 203 F CB 2.095 41.022 39.000 -0.122 0.000 1.250 203 F HN 0.443 nan 8.300 nan 0.000 0.447 204 E N 3.279 123.532 120.200 0.089 0.000 2.115 204 E HA 0.586 4.912 4.350 -0.039 0.000 0.282 204 E C -1.526 175.077 176.600 0.006 0.000 0.987 204 E CA -0.630 55.788 56.400 0.031 0.000 0.797 204 E CB 1.305 31.007 29.700 0.003 0.000 1.086 204 E HN 0.501 nan 8.360 nan 0.000 0.397 205 V N 1.945 121.829 119.914 -0.050 0.000 2.914 205 V HA 0.716 4.813 4.120 -0.039 0.000 0.314 205 V C -2.737 173.313 176.094 -0.072 0.000 1.084 205 V CA -2.713 59.440 62.300 -0.246 0.000 0.963 205 V CB 1.693 33.009 31.823 -0.845 0.000 1.025 205 V HN 0.603 nan 8.190 nan 0.000 0.432 206 P HA 0.166 nan 4.420 nan 0.000 0.276 206 P C 1.105 178.350 177.300 -0.092 0.000 1.230 206 P CA 0.226 63.055 63.100 -0.451 0.000 0.776 206 P CB 1.602 33.122 31.700 -0.299 0.000 0.888 207 V N -0.173 119.648 119.914 -0.153 0.000 2.982 207 V HA -0.223 3.874 4.120 -0.039 0.000 0.265 207 V C 1.496 177.556 176.094 -0.056 0.000 1.122 207 V CA 1.650 63.918 62.300 -0.052 0.000 1.143 207 V CB -1.409 30.382 31.823 -0.055 0.000 0.726 207 V HN 0.349 nan 8.190 nan 0.000 0.507 208 D N 2.201 122.560 120.400 -0.068 0.000 2.172 208 D HA -0.141 4.476 4.640 -0.039 0.000 0.196 208 D C 1.934 178.118 176.300 -0.193 0.000 0.999 208 D CA 2.241 56.179 54.000 -0.103 0.000 0.856 208 D CB -0.221 40.531 40.800 -0.079 0.000 0.934 208 D HN 0.674 nan 8.370 nan 0.000 0.453 209 G N -0.611 108.065 108.800 -0.207 0.000 3.192 209 G HA2 0.235 4.171 3.960 -0.039 0.000 0.239 209 G HA3 0.235 4.171 3.960 -0.039 0.000 0.239 209 G C 0.607 175.220 174.900 -0.479 0.000 1.084 209 G CA -0.333 44.429 45.100 -0.563 0.000 0.784 209 G HN 0.104 nan 8.290 nan 0.000 0.540 210 L N 1.952 123.074 121.223 -0.168 0.000 2.490 210 L HA 0.211 4.528 4.340 -0.039 0.000 0.274 210 L C 0.011 176.693 176.870 -0.314 0.000 1.201 210 L CA -0.017 54.773 54.840 -0.083 0.000 0.869 210 L CB 0.457 42.507 42.059 -0.015 0.000 1.123 210 L HN 0.196 nan 8.230 nan 0.000 0.484 211 H N 4.967 124.017 119.070 -0.033 0.000 2.587 211 H HA 0.423 4.956 4.556 -0.039 0.000 0.325 211 H C -0.558 174.760 175.328 -0.016 0.000 1.012 211 H CA -0.665 55.368 56.048 -0.024 0.000 1.213 211 H CB 1.593 31.348 29.762 -0.012 0.000 1.431 211 H HN 0.299 nan 8.280 nan 0.000 0.492 212 I N 2.261 122.876 120.570 0.075 0.000 2.378 212 I HA 0.258 4.404 4.170 -0.039 0.000 0.291 212 I C 0.884 177.044 176.117 0.071 0.000 0.992 212 I CA -0.486 60.842 61.300 0.047 0.000 1.154 212 I CB 1.678 39.686 38.000 0.014 0.000 1.315 212 I HN 0.598 nan 8.210 nan 0.000 0.448 213 G N 4.723 113.570 108.800 0.079 0.000 2.437 213 G HA2 0.683 4.619 3.960 -0.039 0.000 0.315 213 G HA3 0.683 4.619 3.960 -0.039 0.000 0.315 213 G C -0.632 174.318 174.900 0.084 0.000 1.210 213 G CA -0.302 44.850 45.100 0.087 0.000 0.943 213 G HN 0.784 nan 8.290 nan 0.000 0.471 214 A N 2.799 125.665 122.820 0.076 0.000 2.380 214 A HA 0.842 5.138 4.320 -0.039 0.000 0.315 214 A C -0.642 176.989 177.584 0.079 0.000 1.101 214 A CA -0.948 51.134 52.037 0.075 0.000 0.771 214 A CB 1.709 20.745 19.000 0.061 0.000 1.287 214 A HN 0.555 nan 8.150 nan 0.000 0.436 215 N N 0.078 118.830 118.700 0.087 0.000 2.504 215 N HA 0.507 5.224 4.740 -0.039 0.000 0.280 215 N C 0.379 175.939 175.510 0.084 0.000 1.052 215 N CA 0.647 53.749 53.050 0.087 0.000 0.887 215 N CB 1.753 40.302 38.487 0.103 0.000 1.323 215 N HN 1.430 nan 8.380 nan 0.000 0.509 216 G N 1.153 109.994 108.800 0.069 0.000 2.187 216 G HA2 -0.262 3.675 3.960 -0.039 0.000 0.261 216 G HA3 -0.262 3.675 3.960 -0.039 0.000 0.261 216 G C -0.398 174.544 174.900 0.069 0.000 1.000 216 G CA 0.383 45.522 45.100 0.064 0.000 0.718 216 G HN 0.433 nan 8.290 nan 0.000 0.519 217 L N 0.235 121.500 121.223 0.069 0.000 2.370 217 L HA 0.616 4.932 4.340 -0.039 0.000 0.266 217 L C 0.904 177.807 176.870 0.056 0.000 1.002 217 L CA -0.602 54.279 54.840 0.068 0.000 0.818 217 L CB 2.232 44.335 42.059 0.073 0.000 1.325 217 L HN 0.283 nan 8.230 nan 0.000 0.418 218 T N -1.529 113.055 114.554 0.051 0.000 2.901 218 T HA 0.196 4.522 4.350 -0.039 0.000 0.301 218 T C -1.922 172.803 174.700 0.041 0.000 1.012 218 T CA -1.349 60.776 62.100 0.042 0.000 1.135 218 T CB 1.255 70.146 68.868 0.037 0.000 0.936 218 T HN 0.323 nan 8.240 nan 0.000 0.539 219 P HA -0.191 nan 4.420 nan 0.000 0.216 219 P C 1.686 179.003 177.300 0.028 0.000 1.154 219 P CA 1.113 64.230 63.100 0.029 0.000 0.865 219 P CB 0.078 31.789 31.700 0.019 0.000 0.789 220 Q N -0.137 119.680 119.800 0.029 0.000 2.096 220 Q HA -0.236 4.080 4.340 -0.039 0.000 0.204 220 Q C 2.265 178.296 176.000 0.050 0.000 0.982 220 Q CA 1.834 57.657 55.803 0.034 0.000 0.850 220 Q CB -0.916 27.840 28.738 0.030 0.000 0.901 220 Q HN 0.268 nan 8.270 nan 0.000 0.422 221 Q N -1.220 118.613 119.800 0.055 0.000 2.224 221 Q HA -0.091 4.226 4.340 -0.039 0.000 0.203 221 Q C 1.924 177.971 176.000 0.079 0.000 0.970 221 Q CA 1.174 57.019 55.803 0.071 0.000 0.865 221 Q CB 0.176 28.955 28.738 0.069 0.000 0.922 221 Q HN 0.301 nan 8.270 nan 0.000 0.445 222 V N 0.791 120.748 119.914 0.071 0.000 2.237 222 V HA -0.307 3.789 4.120 -0.039 0.000 0.245 222 V C 2.185 178.410 176.094 0.218 0.000 1.046 222 V CA 1.712 64.077 62.300 0.108 0.000 1.007 222 V CB -0.564 31.318 31.823 0.097 0.000 0.638 222 V HN 0.382 nan 8.190 nan 0.000 0.445 223 L N -0.163 121.131 121.223 0.118 0.000 1.990 223 L HA -0.250 4.067 4.340 -0.039 0.000 0.213 223 L C 2.363 179.340 176.870 0.179 0.000 1.072 223 L CA 1.979 56.884 54.840 0.108 0.000 0.755 223 L CB -0.980 41.098 42.059 0.032 0.000 0.889 223 L HN 0.368 nan 8.230 nan 0.000 0.432 224 D N 0.131 120.613 120.400 0.137 0.000 2.218 224 D HA -0.134 4.483 4.640 -0.039 0.000 0.204 224 D C 2.097 178.523 176.300 0.210 0.000 0.976 224 D CA 1.464 55.548 54.000 0.139 0.000 0.853 224 D CB -0.100 40.760 40.800 0.100 0.000 0.939 224 D HN 0.469 nan 8.370 nan 0.000 0.481 225 G N 0.103 109.042 108.800 0.231 0.000 2.418 225 G HA2 -0.225 3.712 3.960 -0.039 0.000 0.217 225 G HA3 -0.225 3.712 3.960 -0.039 0.000 0.217 225 G C 1.437 176.450 174.900 0.187 0.000 1.158 225 G CA 0.200 45.466 45.100 0.275 0.000 0.771 225 G HN 0.229 nan 8.290 nan 0.000 0.545 226 F N 1.130 121.101 119.950 0.035 0.000 2.187 226 F HA 0.460 4.963 4.527 -0.040 0.000 0.295 226 F C 1.478 177.241 175.800 -0.061 0.000 1.091 226 F CA 0.817 58.801 58.000 -0.027 0.000 1.308 226 F CB 0.251 39.230 39.000 -0.035 0.000 1.030 226 F HN 0.254 nan 8.300 nan 0.000 0.487 227 A N -0.526 122.405 122.820 0.184 0.000 2.520 227 A HA 0.358 4.654 4.320 -0.039 0.000 0.298 227 A C -1.476 176.142 177.584 0.056 0.000 1.051 227 A CA -0.727 51.349 52.037 0.065 0.000 0.690 227 A CB 0.560 19.582 19.000 0.037 0.000 1.281 227 A HN -0.007 nan 8.150 nan 0.000 0.402 228 D N 1.658 122.069 120.400 0.019 0.000 2.376 228 D HA 0.036 4.652 4.640 -0.039 0.000 0.278 228 D C 1.041 177.348 176.300 0.011 0.000 1.384 228 D CA 0.487 54.497 54.000 0.017 0.000 1.033 228 D CB 0.632 41.429 40.800 -0.006 0.000 1.102 228 D HN 0.363 nan 8.370 nan 0.000 0.530 229 Q N 2.574 122.390 119.800 0.027 0.000 2.439 229 Q HA -0.185 4.131 4.340 -0.039 0.000 0.211 229 Q C 1.610 177.617 176.000 0.011 0.000 0.978 229 Q CA 0.601 56.417 55.803 0.022 0.000 0.897 229 Q CB -0.058 28.700 28.738 0.032 0.000 0.956 229 Q HN 0.760 nan 8.270 nan 0.000 0.483 230 Q N 0.876 120.680 119.800 0.005 0.000 2.030 230 Q HA -0.131 4.185 4.340 -0.039 0.000 0.204 230 Q C -0.957 175.038 176.000 -0.008 0.000 0.986 230 Q CA 1.399 57.202 55.803 0.000 0.000 0.843 230 Q CB -0.943 27.793 28.738 -0.003 0.000 0.904 230 Q HN 0.212 nan 8.270 nan 0.000 0.420 231 P HA -0.042 nan 4.420 nan 0.000 0.231 231 P C -0.855 176.428 177.300 -0.029 0.000 1.154 231 P CA 1.136 64.218 63.100 -0.030 0.000 0.762 231 P CB -0.258 31.416 31.700 -0.044 0.000 0.790 232 A N 0.050 122.863 122.820 -0.011 0.000 2.320 232 A HA 0.440 4.736 4.320 -0.039 0.000 0.287 232 A C 0.667 178.253 177.584 0.002 0.000 1.181 232 A CA -0.333 51.706 52.037 0.003 0.000 0.831 232 A CB 0.064 19.090 19.000 0.043 0.000 1.102 232 A HN 0.177 nan 8.150 nan 0.000 0.513 233 S N 3.132 118.811 115.700 -0.036 0.000 2.573 233 S HA 0.359 4.805 4.470 -0.039 0.000 0.277 233 S C -2.510 172.123 174.600 0.054 0.000 1.346 233 S CA -0.865 57.311 58.200 -0.039 0.000 1.034 233 S CB -0.253 62.856 63.200 -0.151 0.000 0.879 233 S HN 0.526 nan 8.310 nan 0.000 0.528 234 P HA 0.289 nan 4.420 nan 0.000 0.270 234 P C 1.159 178.579 177.300 0.201 0.000 1.223 234 P CA 0.884 64.043 63.100 0.099 0.000 0.785 234 P CB -0.009 31.726 31.700 0.058 0.000 0.923 235 G N -0.657 108.217 108.800 0.124 0.000 2.189 235 G HA2 -0.232 3.705 3.960 -0.039 0.000 0.267 235 G HA3 -0.232 3.705 3.960 -0.039 0.000 0.267 235 G C 0.078 174.924 174.900 -0.090 0.000 0.975 235 G CA 0.406 45.537 45.100 0.051 0.000 0.644 235 G HN 0.674 nan 8.290 nan 0.000 0.537 236 H N -0.399 118.676 119.070 0.008 0.000 2.812 236 H HA 0.877 5.409 4.556 -0.039 0.000 0.355 236 H C 0.315 175.641 175.328 -0.003 0.000 1.207 236 H CA 0.232 56.282 56.048 0.004 0.000 1.217 236 H CB 1.974 31.732 29.762 -0.007 0.000 1.874 236 H HN 0.872 nan 8.280 nan 0.000 0.581 237 A N 0.484 123.367 122.820 0.105 0.000 2.612 237 A HA 0.595 4.892 4.320 -0.039 0.000 0.293 237 A C -1.591 176.003 177.584 0.017 0.000 1.075 237 A CA -0.615 51.446 52.037 0.040 0.000 0.680 237 A CB 1.052 20.059 19.000 0.012 0.000 1.279 237 A HN 0.546 nan 8.150 nan 0.000 0.411 238 I N 2.829 123.400 120.570 0.002 0.000 2.390 238 I HA 0.379 4.526 4.170 -0.039 0.000 0.283 238 I C 0.030 176.135 176.117 -0.020 0.000 1.016 238 I CA -0.382 60.912 61.300 -0.010 0.000 1.151 238 I CB 1.082 39.073 38.000 -0.015 0.000 1.293 238 I HN 0.678 nan 8.210 nan 0.000 0.458 239 I N 4.445 125.000 120.570 -0.026 0.000 2.677 239 I HA 0.742 4.888 4.170 -0.039 0.000 0.305 239 I C -0.086 176.043 176.117 0.020 0.000 0.988 239 I CA -0.353 60.922 61.300 -0.042 0.000 1.260 239 I CB 1.748 39.705 38.000 -0.072 0.000 1.410 239 I HN 0.718 nan 8.210 nan 0.000 0.523 240 C N 4.504 123.824 119.300 0.033 0.000 2.802 240 C HA 0.822 5.258 4.460 -0.039 0.000 0.307 240 C C -0.450 174.568 174.990 0.047 0.000 1.222 240 C CA -0.792 58.243 59.018 0.029 0.000 1.580 240 C CB 1.466 29.190 27.740 -0.027 0.000 2.119 240 C HN 1.021 nan 8.230 nan 0.000 0.479 241 M N 1.778 121.404 119.600 0.043 0.000 2.727 241 M HA 0.390 4.846 4.480 -0.039 0.000 0.300 241 M C -0.388 175.903 176.300 -0.015 0.000 1.246 241 M CA -0.450 54.881 55.300 0.051 0.000 0.835 241 M CB 1.596 34.264 32.600 0.113 0.000 1.755 241 M HN 0.955 nan 8.290 nan 0.000 0.473 242 H N 2.440 121.498 119.070 -0.019 0.000 3.004 242 H HA 0.081 4.614 4.556 -0.038 0.000 0.316 242 H C -2.056 173.174 175.328 -0.163 0.000 1.014 242 H CA -0.904 55.156 56.048 0.020 0.000 1.454 242 H CB 0.801 30.667 29.762 0.174 0.000 1.472 242 H HN 0.244 nan 8.280 nan 0.000 0.571 243 P HA -0.167 nan 4.420 nan 0.000 0.219 243 P C 1.652 178.736 177.300 -0.359 0.000 1.146 243 P CA 0.674 63.664 63.100 -0.183 0.000 0.808 243 P CB 0.390 32.016 31.700 -0.123 0.000 0.779 244 V N -0.297 119.319 119.914 -0.497 0.000 2.323 244 V HA -0.230 3.866 4.120 -0.039 0.000 0.244 244 V C 2.650 178.520 176.094 -0.373 0.000 1.041 244 V CA 1.840 63.715 62.300 -0.709 0.000 1.025 244 V CB -1.254 29.758 31.823 -1.353 0.000 0.656 244 V HN 0.093 nan 8.190 nan 0.000 0.451 245 Q N 0.684 120.324 119.800 -0.267 0.000 2.234 245 Q HA -0.141 4.175 4.340 -0.039 0.000 0.206 245 Q C 1.972 177.974 176.000 0.004 0.000 0.980 245 Q CA 1.984 57.727 55.803 -0.099 0.000 0.869 245 Q CB -0.460 28.253 28.738 -0.041 0.000 0.912 245 Q HN 0.625 nan 8.270 nan 0.000 0.436 246 A N -0.512 122.273 122.820 -0.058 0.000 1.970 246 A HA -0.112 4.184 4.320 -0.039 0.000 0.216 246 A C 1.855 179.441 177.584 0.004 0.000 1.170 246 A CA 0.996 53.032 52.037 -0.002 0.000 0.645 246 A CB -0.239 18.500 19.000 -0.434 0.000 0.816 246 A HN 0.353 nan 8.150 nan 0.000 0.447 247 Q N 0.185 119.923 119.800 -0.104 0.000 2.083 247 Q HA -0.033 4.284 4.340 -0.039 0.000 0.198 247 Q C 2.140 178.164 176.000 0.041 0.000 0.969 247 Q CA 1.201 56.982 55.803 -0.035 0.000 0.838 247 Q CB -0.660 28.028 28.738 -0.084 0.000 0.900 247 Q HN 0.694 nan 8.270 nan 0.000 0.436 248 L N -0.193 121.054 121.223 0.040 0.000 1.976 248 L HA -0.158 4.159 4.340 -0.039 0.000 0.209 248 L C 2.390 179.342 176.870 0.138 0.000 1.071 248 L CA 1.450 56.342 54.840 0.086 0.000 0.746 248 L CB -0.788 41.319 42.059 0.080 0.000 0.890 248 L HN 0.073 nan 8.230 nan 0.000 0.432 249 F N 0.390 120.356 119.950 0.027 0.000 2.141 249 F HA -0.309 4.194 4.527 -0.040 0.000 0.300 249 F C 2.267 178.122 175.800 0.091 0.000 1.079 249 F CA 1.661 59.682 58.000 0.036 0.000 1.264 249 F CB -0.096 38.877 39.000 -0.044 0.000 1.011 249 F HN -0.010 nan 8.300 nan 0.000 0.487 250 M N -0.471 119.131 119.600 0.003 0.000 2.563 250 M HA -0.023 4.434 4.480 -0.039 0.000 0.231 250 M C 1.170 177.441 176.300 -0.049 0.000 1.136 250 M CA 0.545 55.811 55.300 -0.057 0.000 1.026 250 M CB 0.087 32.777 32.600 0.149 0.000 1.597 250 M HN 0.236 nan 8.290 nan 0.000 0.495 251 Q N -0.331 119.446 119.800 -0.039 0.000 2.356 251 Q HA 0.043 4.359 4.340 -0.039 0.000 0.205 251 Q C 0.153 176.115 176.000 -0.062 0.000 0.901 251 Q CA 0.001 55.793 55.803 -0.018 0.000 0.938 251 Q CB 0.617 29.371 28.738 0.026 0.000 1.081 251 Q HN 0.275 nan 8.270 nan 0.000 0.517 252 D N -0.416 119.910 120.400 -0.123 0.000 2.351 252 D HA 0.097 4.713 4.640 -0.039 0.000 0.251 252 D C 0.530 176.726 176.300 -0.172 0.000 1.137 252 D CA 0.030 53.913 54.000 -0.196 0.000 0.879 252 D CB 1.537 42.158 40.800 -0.298 0.000 1.181 252 D HN 0.184 nan 8.370 nan 0.000 0.448 253 A N 5.307 128.038 122.820 -0.149 0.000 2.019 253 A HA -0.200 4.097 4.320 -0.039 0.000 0.219 253 A C 2.089 179.635 177.584 -0.064 0.000 1.164 253 A CA 1.103 53.087 52.037 -0.088 0.000 0.644 253 A CB -0.148 18.806 19.000 -0.076 0.000 0.805 253 A HN 0.707 nan 8.150 nan 0.000 0.449 254 R N -0.545 119.893 120.500 -0.102 0.000 2.083 254 R HA -0.117 4.199 4.340 -0.039 0.000 0.237 254 R C 1.961 178.350 176.300 0.147 0.000 1.137 254 R CA 1.708 57.830 56.100 0.036 0.000 0.951 254 R CB -0.656 29.665 30.300 0.035 0.000 0.851 254 R HN 0.430 nan 8.270 nan 0.000 0.434 255 V N 1.384 121.307 119.914 0.016 0.000 2.379 255 V HA -0.207 3.889 4.120 -0.039 0.000 0.245 255 V C 2.356 178.455 176.094 0.009 0.000 1.044 255 V CA 1.483 63.775 62.300 -0.014 0.000 1.036 255 V CB -0.697 30.845 31.823 -0.469 0.000 0.664 255 V HN 0.294 nan 8.190 nan 0.000 0.453 256 Q N 0.235 120.025 119.800 -0.017 0.000 2.062 256 Q HA -0.351 3.965 4.340 -0.039 0.000 0.209 256 Q C 2.299 178.325 176.000 0.043 0.000 0.996 256 Q CA 2.253 58.066 55.803 0.017 0.000 0.859 256 Q CB -0.530 28.210 28.738 0.003 0.000 0.920 256 Q HN 0.586 nan 8.270 nan 0.000 0.415 257 Q N 0.862 120.690 119.800 0.048 0.000 2.014 257 Q HA -0.128 4.188 4.340 -0.039 0.000 0.207 257 Q C 2.244 178.293 176.000 0.080 0.000 0.993 257 Q CA 1.549 57.387 55.803 0.059 0.000 0.850 257 Q CB -0.586 28.189 28.738 0.062 0.000 0.916 257 Q HN 0.432 nan 8.270 nan 0.000 0.417 258 L N -0.556 120.736 121.223 0.116 0.000 2.081 258 L HA -0.232 4.085 4.340 -0.039 0.000 0.212 258 L C 2.368 179.297 176.870 0.098 0.000 1.080 258 L CA 1.075 55.993 54.840 0.131 0.000 0.754 258 L CB -0.464 41.714 42.059 0.197 0.000 0.893 258 L HN 0.232 nan 8.230 nan 0.000 0.433 259 L N -0.997 120.281 121.223 0.092 0.000 2.044 259 L HA -0.143 4.173 4.340 -0.039 0.000 0.205 259 L C 2.761 179.673 176.870 0.070 0.000 1.075 259 L CA 0.951 55.847 54.840 0.092 0.000 0.747 259 L CB -0.387 41.740 42.059 0.112 0.000 0.903 259 L HN 0.148 nan 8.230 nan 0.000 0.435 260 R N -0.006 120.530 120.500 0.059 0.000 2.170 260 R HA -0.180 4.136 4.340 -0.039 0.000 0.242 260 R C 0.728 177.054 176.300 0.044 0.000 1.145 260 R CA 1.550 57.677 56.100 0.046 0.000 0.984 260 R CB -0.003 30.321 30.300 0.039 0.000 0.869 260 R HN 0.360 nan 8.270 nan 0.000 0.455 261 D N -0.647 119.785 120.400 0.053 0.000 2.431 261 D HA 0.050 4.667 4.640 -0.039 0.000 0.213 261 D C -0.481 175.852 176.300 0.055 0.000 1.130 261 D CA -0.027 54.004 54.000 0.050 0.000 0.834 261 D CB 0.174 41.008 40.800 0.057 0.000 0.985 261 D HN 0.172 nan 8.370 nan 0.000 0.504 262 N N 0.020 118.753 118.700 0.055 0.000 2.701 262 N HA -0.180 4.536 4.740 -0.039 0.000 0.252 262 N C 0.969 176.520 175.510 0.068 0.000 1.002 262 N CA -0.045 53.036 53.050 0.052 0.000 0.758 262 N CB -0.673 37.833 38.487 0.032 0.000 0.937 262 N HN 0.033 nan 8.380 nan 0.000 0.538 263 V N -0.583 119.382 119.914 0.085 0.000 2.649 263 V HA 0.023 4.119 4.120 -0.039 0.000 0.248 263 V C 0.919 177.065 176.094 0.087 0.000 1.054 263 V CA 1.691 64.061 62.300 0.116 0.000 1.073 263 V CB -0.364 31.544 31.823 0.142 0.000 0.699 263 V HN 0.485 nan 8.190 nan 0.000 0.463 264 I N -2.882 117.710 120.570 0.038 0.000 2.686 264 I HA 0.587 4.734 4.170 -0.039 0.000 0.295 264 I C -0.493 175.666 176.117 0.071 0.000 1.114 264 I CA -0.912 60.379 61.300 -0.015 0.000 1.038 264 I CB 2.111 39.989 38.000 -0.203 0.000 1.238 264 I HN -0.259 nan 8.210 nan 0.000 0.420 265 R N 2.301 122.855 120.500 0.090 0.000 2.393 265 R HA 0.268 4.584 4.340 -0.039 0.000 0.310 265 R C -1.054 175.365 176.300 0.198 0.000 0.968 265 R CA -0.768 55.393 56.100 0.102 0.000 0.867 265 R CB 1.339 31.648 30.300 0.015 0.000 1.124 265 R HN 0.721 nan 8.270 nan 0.000 0.450 266 D N 4.784 125.294 120.400 0.184 0.000 2.359 266 D HA 0.072 4.689 4.640 -0.039 0.000 0.250 266 D C 0.132 176.308 176.300 -0.208 0.000 1.264 266 D CA 0.022 54.025 54.000 0.005 0.000 0.911 266 D CB 0.309 41.181 40.800 0.121 0.000 1.056 266 D HN 0.312 nan 8.370 nan 0.000 0.499 267 L N 2.234 123.224 121.223 -0.388 0.000 2.482 267 L HA 0.451 4.768 4.340 -0.039 0.000 0.242 267 L C 1.851 178.414 176.870 -0.511 0.000 1.210 267 L CA -0.944 53.680 54.840 -0.361 0.000 0.819 267 L CB -0.050 41.822 42.059 -0.311 0.000 1.203 267 L HN 0.349 nan 8.230 nan 0.000 0.495 268 G N -0.753 107.824 108.800 -0.371 0.000 2.447 268 G HA2 0.073 4.009 3.960 -0.039 0.000 0.269 268 G HA3 0.073 4.009 3.960 -0.039 0.000 0.269 268 G C -0.258 174.329 174.900 -0.520 0.000 1.455 268 G CA -0.518 44.383 45.100 -0.331 0.000 1.061 268 G HN 0.651 nan 8.290 nan 0.000 0.545 269 Q N 0.234 119.903 119.800 -0.219 0.000 2.534 269 Q HA 0.212 4.529 4.340 -0.039 0.000 0.223 269 Q C 0.423 176.324 176.000 -0.165 0.000 1.239 269 Q CA 0.059 55.775 55.803 -0.146 0.000 0.936 269 Q CB 0.521 29.275 28.738 0.028 0.000 1.457 269 Q HN 0.500 nan 8.270 nan 0.000 0.547 270 S N -0.704 114.858 115.700 -0.231 0.000 2.666 270 S HA 0.183 4.629 4.470 -0.039 0.000 0.239 270 S C 0.955 175.456 174.600 -0.164 0.000 1.031 270 S CA -0.156 57.936 58.200 -0.180 0.000 1.015 270 S CB 0.686 63.768 63.200 -0.197 0.000 0.981 270 S HN 0.502 nan 8.310 nan 0.000 0.547 271 G N 1.954 110.640 108.800 -0.189 0.000 2.525 271 G HA2 0.416 4.353 3.960 -0.039 0.000 0.276 271 G HA3 0.416 4.353 3.960 -0.039 0.000 0.276 271 G C -0.215 174.585 174.900 -0.168 0.000 1.388 271 G CA -1.093 43.901 45.100 -0.177 0.000 1.050 271 G HN 0.456 nan 8.290 nan 0.000 0.520 272 R N -1.420 118.968 120.500 -0.187 0.000 2.643 272 R HA 0.271 4.588 4.340 -0.039 0.000 0.270 272 R C -0.532 175.658 176.300 -0.183 0.000 1.061 272 R CA -0.517 55.475 56.100 -0.180 0.000 1.107 272 R CB 0.751 30.915 30.300 -0.228 0.000 0.999 272 R HN 0.133 nan 8.270 nan 0.000 0.460 273 V N 2.470 122.309 119.914 -0.126 0.000 2.405 273 V HA 0.366 4.463 4.120 -0.039 0.000 0.264 273 V C 0.430 176.492 176.094 -0.054 0.000 1.048 273 V CA -0.120 62.132 62.300 -0.080 0.000 0.966 273 V CB 0.323 32.116 31.823 -0.050 0.000 1.015 273 V HN 0.907 nan 8.190 nan 0.000 0.477 274 A N 4.173 127.004 122.820 0.017 0.000 2.435 274 A HA 0.880 5.177 4.320 -0.039 0.000 0.296 274 A C -0.179 177.614 177.584 0.349 0.000 1.147 274 A CA -0.640 51.474 52.037 0.130 0.000 0.775 274 A CB 1.799 20.886 19.000 0.145 0.000 1.340 274 A HN 0.597 nan 8.150 nan 0.000 0.427 275 S N 2.308 118.199 115.700 0.317 0.000 2.437 275 S HA 0.606 5.053 4.470 -0.039 0.000 0.305 275 S C -2.663 172.022 174.600 0.141 0.000 1.109 275 S CA -1.046 57.303 58.200 0.247 0.000 1.099 275 S CB 1.139 64.452 63.200 0.187 0.000 1.004 275 S HN 0.562 nan 8.310 nan 0.000 0.475 276 P HA 0.117 nan 4.420 nan 0.000 0.268 276 P C 0.141 177.323 177.300 -0.197 0.000 1.205 276 P CA -0.191 62.555 63.100 -0.590 0.000 0.771 276 P CB 0.259 31.507 31.700 -0.754 0.000 0.858 277 T N -1.222 113.256 114.554 -0.127 0.000 2.852 277 T HA 0.474 4.800 4.350 -0.039 0.000 0.281 277 T C 1.578 176.239 174.700 -0.064 0.000 0.993 277 T CA -0.128 61.946 62.100 -0.045 0.000 0.933 277 T CB 0.176 69.097 68.868 0.089 0.000 1.187 277 T HN 0.303 nan 8.240 nan 0.000 0.559 278 A N 0.762 123.544 122.820 -0.063 0.000 1.978 278 A HA -0.010 4.286 4.320 -0.039 0.000 0.220 278 A C 2.230 179.802 177.584 -0.020 0.000 1.170 278 A CA 1.735 53.735 52.037 -0.061 0.000 0.636 278 A CB -1.341 17.610 19.000 -0.082 0.000 0.810 278 A HN 1.115 nan 8.150 nan 0.000 0.448 279 S N -1.028 114.672 115.700 -0.001 0.000 2.763 279 S HA 0.310 4.757 4.470 -0.039 0.000 0.237 279 S C 0.981 175.597 174.600 0.027 0.000 0.966 279 S CA 0.207 58.420 58.200 0.023 0.000 1.017 279 S CB -0.481 62.743 63.200 0.039 0.000 0.780 279 S HN 0.440 nan 8.310 nan 0.000 0.476 280 I N 0.683 121.256 120.570 0.006 0.000 4.352 280 I HA -0.410 3.736 4.170 -0.039 0.000 0.074 280 I C 1.689 177.778 176.117 -0.047 0.000 0.580 280 I CA 2.582 63.897 61.300 0.025 0.000 1.060 280 I CB -1.910 36.178 38.000 0.147 0.000 0.947 280 I HN 0.676 nan 8.210 nan 0.000 0.174 281 R N 0.703 121.228 120.500 0.042 0.000 2.317 281 R HA 0.323 4.640 4.340 -0.039 0.000 0.208 281 R C 0.500 176.904 176.300 0.174 0.000 0.914 281 R CA 0.627 56.826 56.100 0.165 0.000 1.060 281 R CB -0.485 29.931 30.300 0.194 0.000 1.015 281 R HN 0.385 nan 8.270 nan 0.000 0.498 282 T N 0.288 114.876 114.554 0.057 0.000 2.928 282 T HA 0.443 4.769 4.350 -0.039 0.000 0.284 282 T C -1.069 173.678 174.700 0.079 0.000 1.008 282 T CA -0.275 61.944 62.100 0.197 0.000 1.057 282 T CB 0.879 69.855 68.868 0.179 0.000 1.018 282 T HN 0.207 nan 8.240 nan 0.000 0.493 283 W N 1.401 122.848 121.300 0.245 0.000 2.864 283 W HA 0.647 5.284 4.660 -0.038 0.000 0.343 283 W C -1.084 175.564 176.519 0.214 0.000 1.109 283 W CA -1.074 56.379 57.345 0.180 0.000 1.192 283 W CB 1.272 30.763 29.460 0.051 0.000 1.426 283 W HN 0.588 nan 8.180 nan 0.000 0.529 284 F N 4.116 124.159 119.950 0.156 0.000 2.496 284 F HA 0.647 5.151 4.527 -0.039 0.000 0.341 284 F C -0.981 174.767 175.800 -0.086 0.000 1.134 284 F CA -0.889 57.027 58.000 -0.140 0.000 0.968 284 F CB 0.428 39.319 39.000 -0.181 0.000 1.205 284 F HN 0.127 nan 8.300 nan 0.000 0.436 285 I N 5.112 125.264 120.570 -0.696 0.000 2.336 285 I HA 0.220 4.367 4.170 -0.039 0.000 0.292 285 I C -0.149 175.380 176.117 -0.981 0.000 0.991 285 I CA -0.636 60.290 61.300 -0.625 0.000 1.227 285 I CB 0.901 38.666 38.000 -0.392 0.000 1.366 285 I HN 0.465 nan 8.210 nan 0.000 0.466 286 D N 6.486 126.414 120.400 -0.787 0.000 2.383 286 D HA -0.027 4.589 4.640 -0.039 0.000 0.252 286 D C -0.129 175.994 176.300 -0.295 0.000 1.166 286 D CA 0.396 54.052 54.000 -0.574 0.000 0.879 286 D CB 0.525 41.215 40.800 -0.183 0.000 1.164 286 D HN 0.501 nan 8.370 nan 0.000 0.462 287 D N 2.332 122.587 120.400 -0.242 0.000 2.890 287 D HA -0.259 4.358 4.640 -0.039 0.000 0.226 287 D C -0.247 175.954 176.300 -0.165 0.000 1.207 287 D CA 0.851 54.746 54.000 -0.176 0.000 0.764 287 D CB -0.849 39.887 40.800 -0.108 0.000 0.948 287 D HN 0.537 nan 8.370 nan 0.000 0.404 288 H N 0.528 119.399 119.070 -0.331 0.000 2.747 288 H HA 0.156 4.688 4.556 -0.039 0.000 0.371 288 H C 0.443 175.549 175.328 -0.370 0.000 1.161 288 H CA -0.614 55.264 56.048 -0.284 0.000 1.167 288 H CB 1.601 31.211 29.762 -0.254 0.000 1.732 288 H HN -0.230 nan 8.280 nan 0.000 0.544 289 D N 2.218 122.026 120.400 -0.986 0.000 2.309 289 D HA -0.054 4.562 4.640 -0.039 0.000 0.212 289 D C -0.346 175.216 176.300 -1.229 0.000 0.968 289 D CA 1.363 54.717 54.000 -1.078 0.000 0.882 289 D CB 0.081 40.135 40.800 -1.243 0.000 0.918 289 D HN 0.336 nan 8.370 nan 0.000 0.503 290 Y N -1.861 118.440 120.300 0.002 0.000 2.581 290 Y HA 0.404 4.930 4.550 -0.040 0.000 0.345 290 Y C -0.098 175.861 175.900 0.098 0.000 1.036 290 Y CA -1.332 56.837 58.100 0.114 0.000 1.042 290 Y CB 0.888 39.393 38.460 0.074 0.000 1.289 290 Y HN -0.340 nan 8.280 nan 0.000 0.471 291 F N 1.316 121.370 119.950 0.174 0.000 2.370 291 F HA 0.517 5.020 4.527 -0.039 0.000 0.324 291 F C -0.024 175.821 175.800 0.074 0.000 1.116 291 F CA -0.592 57.496 58.000 0.147 0.000 1.123 291 F CB 0.681 39.776 39.000 0.157 0.000 1.238 291 F HN 0.126 nan 8.300 nan 0.000 0.536 292 I N 2.061 122.786 120.570 0.258 0.000 2.354 292 I HA 0.204 4.351 4.170 -0.039 0.000 0.286 292 I C -0.240 176.038 176.117 0.269 0.000 1.007 292 I CA -0.543 60.802 61.300 0.075 0.000 1.167 292 I CB 1.231 39.194 38.000 -0.061 0.000 1.320 292 I HN 0.445 nan 8.210 nan 0.000 0.458 293 K N 6.043 126.561 120.400 0.196 0.000 2.206 293 K HA 0.421 4.717 4.320 -0.039 0.000 0.268 293 K C 0.150 176.890 176.600 0.233 0.000 1.111 293 K CA -0.204 56.210 56.287 0.213 0.000 0.955 293 K CB 0.510 33.083 32.500 0.122 0.000 1.406 293 K HN 0.839 nan 8.250 nan 0.000 0.427 294 G N 1.493 110.471 108.800 0.296 0.000 2.502 294 G HA2 0.237 4.173 3.960 -0.039 0.000 0.305 294 G HA3 0.237 4.173 3.960 -0.039 0.000 0.305 294 G C -0.557 174.455 174.900 0.186 0.000 1.190 294 G CA -0.564 44.687 45.100 0.250 0.000 0.933 294 G HN 0.534 nan 8.290 nan 0.000 0.503 295 S N -1.372 114.396 115.700 0.114 0.000 2.655 295 S HA 0.640 5.087 4.470 -0.039 0.000 0.265 295 S C -0.660 173.977 174.600 0.062 0.000 1.240 295 S CA -0.240 57.995 58.200 0.059 0.000 0.986 295 S CB 1.377 64.571 63.200 -0.010 0.000 0.985 295 S HN 0.688 nan 8.310 nan 0.000 0.562 296 L N 1.763 123.003 121.223 0.028 0.000 2.847 296 L HA 0.367 4.683 4.340 -0.039 0.000 0.261 296 L C -1.426 175.456 176.870 0.020 0.000 0.926 296 L CA -0.202 54.637 54.840 -0.001 0.000 1.010 296 L CB 1.442 43.495 42.059 -0.011 0.000 1.538 296 L HN 0.529 nan 8.230 nan 0.000 0.465 297 N N 3.050 121.763 118.700 0.021 0.000 3.303 297 N HA 0.534 5.251 4.740 -0.039 0.000 0.304 297 N C -1.484 174.075 175.510 0.081 0.000 1.302 297 N CA 0.260 53.343 53.050 0.055 0.000 1.213 297 N CB 0.022 38.550 38.487 0.068 0.000 1.481 297 N HN 0.333 nan 8.380 nan 0.000 0.546 298 V N 0.835 120.801 119.914 0.086 0.000 2.777 298 V HA 0.352 4.449 4.120 -0.039 0.000 0.306 298 V C 0.098 176.232 176.094 0.066 0.000 1.112 298 V CA -1.136 61.225 62.300 0.101 0.000 0.917 298 V CB 2.173 34.113 31.823 0.195 0.000 1.018 298 V HN 0.181 nan 8.190 nan 0.000 0.426 299 R N 4.204 124.729 120.500 0.042 0.000 2.480 299 R HA 0.263 4.579 4.340 -0.039 0.000 0.303 299 R C -0.866 175.433 176.300 -0.002 0.000 0.985 299 R CA 0.352 56.468 56.100 0.027 0.000 1.051 299 R CB 0.130 30.441 30.300 0.018 0.000 0.935 299 R HN 0.524 nan 8.270 nan 0.000 0.410 300 I N 3.886 124.464 120.570 0.013 0.000 2.476 300 I HA 0.042 4.188 4.170 -0.039 0.000 0.281 300 I C 1.195 177.299 176.117 -0.022 0.000 1.040 300 I CA -0.160 61.130 61.300 -0.016 0.000 1.094 300 I CB 1.155 39.165 38.000 0.016 0.000 1.219 300 I HN 0.887 nan 8.210 nan 0.000 0.450 301 T N 3.965 118.465 114.554 -0.090 0.000 14.064 301 T HA -0.370 3.956 4.350 -0.039 0.000 0.419 301 T C 1.287 176.056 174.700 0.115 0.000 1.441 301 T CA 1.727 63.720 62.100 -0.178 0.000 2.335 301 T CB -0.912 67.784 68.868 -0.287 0.000 2.764 301 T HN 0.434 nan 8.240 nan 0.000 0.314 302 N N 1.948 120.792 118.700 0.241 0.000 2.058 302 N HA 0.083 4.799 4.740 -0.039 0.000 0.191 302 N C 1.207 176.780 175.510 0.104 0.000 1.037 302 N CA 1.719 54.884 53.050 0.193 0.000 0.848 302 N CB -0.911 37.672 38.487 0.161 0.000 1.021 302 N HN 0.864 nan 8.380 nan 0.000 0.422 303 C N -1.506 117.848 119.300 0.090 0.000 2.711 303 C HA 0.665 5.101 4.460 -0.039 0.000 0.410 303 C C 0.125 175.155 174.990 0.067 0.000 1.553 303 C CA -1.056 58.008 59.018 0.077 0.000 1.759 303 C CB 1.323 29.111 27.740 0.081 0.000 2.077 303 C HN -0.044 nan 8.230 nan 0.000 0.483 304 V N 2.463 122.417 119.914 0.067 0.000 2.334 304 V HA 0.320 4.417 4.120 -0.039 0.000 0.281 304 V C 0.495 176.625 176.094 0.059 0.000 1.016 304 V CA -0.259 62.079 62.300 0.064 0.000 0.832 304 V CB 0.916 32.779 31.823 0.067 0.000 0.999 304 V HN 0.706 nan 8.190 nan 0.000 0.439 305 R N 2.946 123.481 120.500 0.060 0.000 3.907 305 R HA 0.166 4.483 4.340 -0.039 0.000 0.241 305 R C 0.402 176.728 176.300 0.043 0.000 1.784 305 R CA -0.233 55.902 56.100 0.058 0.000 1.509 305 R CB -0.543 29.799 30.300 0.070 0.000 1.275 305 R HN 0.576 nan 8.270 nan 0.000 0.642 306 K N 1.594 122.009 120.400 0.026 0.000 2.518 306 K HA -0.008 4.289 4.320 -0.039 0.000 0.276 306 K C 0.185 176.774 176.600 -0.018 0.000 0.974 306 K CA 0.392 56.676 56.287 -0.006 0.000 0.986 306 K CB 0.396 32.886 32.500 -0.016 0.000 0.901 306 K HN 0.059 nan 8.250 nan 0.000 0.497 307 N N 1.780 120.459 118.700 -0.035 0.000 2.462 307 N HA 0.126 4.842 4.740 -0.039 0.000 0.242 307 N C -0.646 174.775 175.510 -0.149 0.000 1.010 307 N CA -0.128 52.885 53.050 -0.062 0.000 0.939 307 N CB 1.462 39.939 38.487 -0.017 0.000 1.127 307 N HN 0.547 nan 8.380 nan 0.000 0.509 308 A N 2.905 125.556 122.820 -0.282 0.000 2.445 308 A HA 0.024 4.321 4.320 -0.039 0.000 0.242 308 A C 1.581 178.781 177.584 -0.640 0.000 1.075 308 A CA -0.691 51.013 52.037 -0.556 0.000 0.777 308 A CB 0.063 18.456 19.000 -1.011 0.000 1.013 308 A HN 0.897 nan 8.150 nan 0.000 0.493 309 W N 2.756 123.731 121.300 -0.542 0.000 2.305 309 W HA -0.363 4.274 4.660 -0.039 0.000 0.308 309 W C 1.233 177.586 176.519 -0.276 0.000 1.226 309 W CA 2.175 59.333 57.345 -0.312 0.000 1.253 309 W CB -0.928 28.441 29.460 -0.152 0.000 1.146 309 W HN 0.907 nan 8.180 nan 0.000 0.507 310 Y N 0.052 119.591 120.300 -1.268 0.000 2.395 310 Y HA 0.197 4.722 4.550 -0.041 0.000 0.293 310 Y C 2.291 177.876 175.900 -0.524 0.000 1.123 310 Y CA 1.188 58.473 58.100 -1.358 0.000 1.227 310 Y CB -1.351 36.150 38.460 -1.599 0.000 1.012 310 Y HN 0.019 nan 8.280 nan 0.000 0.552 311 E N 1.042 120.929 120.200 -0.521 0.000 2.150 311 E HA -0.113 4.213 4.350 -0.039 0.000 0.193 311 E C 1.919 178.459 176.600 -0.100 0.000 0.985 311 E CA 1.191 57.480 56.400 -0.185 0.000 0.814 311 E CB -0.182 29.392 29.700 -0.209 0.000 0.752 311 E HN 0.543 nan 8.360 nan 0.000 0.466 312 L N 1.066 122.213 121.223 -0.126 0.000 2.141 312 L HA -0.161 4.156 4.340 -0.039 0.000 0.209 312 L C 2.330 179.223 176.870 0.038 0.000 1.094 312 L CA 0.819 55.654 54.840 -0.009 0.000 0.763 312 L CB -0.225 41.841 42.059 0.012 0.000 0.908 312 L HN 0.035 nan 8.230 nan 0.000 0.437 313 E N 0.037 120.254 120.200 0.028 0.000 2.072 313 E HA -0.158 4.169 4.350 -0.039 0.000 0.191 313 E C 2.378 179.014 176.600 0.060 0.000 0.985 313 E CA 1.586 58.029 56.400 0.072 0.000 0.801 313 E CB -0.319 29.445 29.700 0.108 0.000 0.750 313 E HN 0.561 nan 8.360 nan 0.000 0.452 314 S N 0.731 116.448 115.700 0.029 0.000 2.423 314 S HA -0.109 4.338 4.470 -0.039 0.000 0.231 314 S C 2.113 176.753 174.600 0.066 0.000 1.014 314 S CA 1.448 59.669 58.200 0.034 0.000 0.965 314 S CB -0.609 62.602 63.200 0.019 0.000 0.785 314 S HN 0.106 nan 8.310 nan 0.000 0.495 315 T N 3.025 117.643 114.554 0.105 0.000 2.622 315 T HA -0.094 4.232 4.350 -0.039 0.000 0.266 315 T C 1.968 176.797 174.700 0.215 0.000 1.047 315 T CA 1.712 63.933 62.100 0.201 0.000 1.159 315 T CB -0.890 68.091 68.868 0.189 0.000 0.863 315 T HN 0.329 nan 8.240 nan 0.000 0.422 316 V N 1.874 121.883 119.914 0.159 0.000 2.233 316 V HA -0.253 3.844 4.120 -0.039 0.000 0.252 316 V C 2.414 178.569 176.094 0.101 0.000 1.063 316 V CA 2.058 64.440 62.300 0.137 0.000 1.032 316 V CB -1.017 30.872 31.823 0.109 0.000 0.645 316 V HN 0.387 nan 8.190 nan 0.000 0.446 317 L N -0.855 120.408 121.223 0.067 0.000 2.012 317 L HA -0.182 4.134 4.340 -0.039 0.000 0.210 317 L C 2.473 179.328 176.870 -0.025 0.000 1.073 317 L CA 1.650 56.507 54.840 0.029 0.000 0.748 317 L CB -0.282 41.792 42.059 0.026 0.000 0.891 317 L HN 0.227 nan 8.230 nan 0.000 0.431 318 I N 0.148 120.679 120.570 -0.066 0.000 2.163 318 I HA -0.346 3.801 4.170 -0.039 0.000 0.243 318 I C 2.255 178.219 176.117 -0.255 0.000 1.085 318 I CA 1.781 62.944 61.300 -0.227 0.000 1.347 318 I CB -1.459 36.328 38.000 -0.355 0.000 1.044 318 I HN 0.408 nan 8.210 nan 0.000 0.408 319 D N 0.653 121.002 120.400 -0.085 0.000 2.104 319 D HA -0.252 4.364 4.640 -0.039 0.000 0.194 319 D C 2.428 178.802 176.300 0.123 0.000 0.994 319 D CA 1.371 55.480 54.000 0.182 0.000 0.830 319 D CB -0.074 40.960 40.800 0.390 0.000 0.959 319 D HN 0.145 nan 8.370 nan 0.000 0.452 320 R N -0.593 119.948 120.500 0.069 0.000 2.152 320 R HA -0.112 4.204 4.340 -0.039 0.000 0.232 320 R C 2.146 178.435 176.300 -0.017 0.000 1.117 320 R CA 0.896 57.021 56.100 0.041 0.000 0.981 320 R CB -0.277 30.047 30.300 0.039 0.000 0.870 320 R HN 0.295 nan 8.270 nan 0.000 0.451 321 L N -0.312 120.860 121.223 -0.086 0.000 2.095 321 L HA 0.037 4.353 4.340 -0.039 0.000 0.204 321 L C 1.595 178.295 176.870 -0.283 0.000 1.080 321 L CA 1.609 56.318 54.840 -0.218 0.000 0.759 321 L CB -0.537 41.328 42.059 -0.324 0.000 0.914 321 L HN 0.067 nan 8.230 nan 0.000 0.439 322 F N 0.205 120.021 119.950 -0.224 0.000 2.216 322 F HA -0.142 4.361 4.527 -0.040 0.000 0.300 322 F C 2.580 178.324 175.800 -0.094 0.000 1.085 322 F CA 1.433 59.328 58.000 -0.174 0.000 1.326 322 F CB -0.286 38.634 39.000 -0.134 0.000 1.027 322 F HN 0.045 nan 8.300 nan 0.000 0.497 323 R N -0.312 120.256 120.500 0.112 0.000 2.061 323 R HA -0.198 4.119 4.340 -0.039 0.000 0.230 323 R C 2.302 178.588 176.300 -0.022 0.000 1.140 323 R CA 1.542 57.675 56.100 0.056 0.000 0.940 323 R CB -0.738 29.599 30.300 0.062 0.000 0.839 323 R HN 0.285 nan 8.270 nan 0.000 0.429 324 Q N 0.954 120.720 119.800 -0.056 0.000 2.133 324 Q HA -0.230 4.086 4.340 -0.039 0.000 0.208 324 Q C 2.047 177.959 176.000 -0.147 0.000 0.991 324 Q CA 1.669 57.418 55.803 -0.090 0.000 0.867 324 Q CB -0.079 28.616 28.738 -0.071 0.000 0.911 324 Q HN 0.386 nan 8.270 nan 0.000 0.417 325 L N 0.110 121.222 121.223 -0.186 0.000 1.988 325 L HA -0.218 4.098 4.340 -0.039 0.000 0.207 325 L C 2.666 179.467 176.870 -0.114 0.000 1.071 325 L CA 0.929 55.661 54.840 -0.180 0.000 0.744 325 L CB -0.629 41.181 42.059 -0.414 0.000 0.893 325 L HN 0.308 nan 8.230 nan 0.000 0.433 326 L N -0.078 121.110 121.223 -0.059 0.000 1.990 326 L HA -0.306 4.011 4.340 -0.039 0.000 0.213 326 L C 2.325 179.174 176.870 -0.035 0.000 1.072 326 L CA 1.535 56.370 54.840 -0.009 0.000 0.755 326 L CB -0.533 41.552 42.059 0.044 0.000 0.889 326 L HN 0.320 nan 8.230 nan 0.000 0.432 327 D N -1.183 119.186 120.400 -0.051 0.000 2.158 327 D HA -0.253 4.364 4.640 -0.039 0.000 0.197 327 D C 2.075 178.316 176.300 -0.098 0.000 0.995 327 D CA 1.379 55.344 54.000 -0.060 0.000 0.846 327 D CB 0.106 40.871 40.800 -0.059 0.000 0.941 327 D HN 0.424 nan 8.370 nan 0.000 0.456 328 Q N -1.627 118.065 119.800 -0.180 0.000 2.384 328 Q HA 0.036 4.352 4.340 -0.039 0.000 0.264 328 Q C 0.020 175.778 176.000 -0.403 0.000 0.825 328 Q CA 0.012 55.624 55.803 -0.318 0.000 0.984 328 Q CB 0.629 29.088 28.738 -0.464 0.000 1.183 328 Q HN 0.315 nan 8.270 nan 0.000 0.537 329 H N -0.676 118.379 119.070 -0.026 0.000 2.528 329 H HA 0.462 4.994 4.556 -0.039 0.000 0.256 329 H C 0.765 176.103 175.328 0.018 0.000 1.204 329 H CA 0.243 56.303 56.048 0.019 0.000 0.955 329 H CB 1.024 30.825 29.762 0.065 0.000 1.817 329 H HN 0.303 nan 8.280 nan 0.000 0.579 330 A N 1.437 124.294 122.820 0.062 0.000 1.869 330 A HA -0.322 3.974 4.320 -0.039 0.000 0.218 330 A C 2.138 179.769 177.584 0.079 0.000 1.203 330 A CA 2.148 54.217 52.037 0.052 0.000 0.638 330 A CB -0.429 18.585 19.000 0.024 0.000 0.831 330 A HN 0.696 nan 8.150 nan 0.000 0.450 331 D N 0.184 120.634 120.400 0.082 0.000 2.157 331 D HA -0.219 4.397 4.640 -0.039 0.000 0.191 331 D C 1.545 177.908 176.300 0.105 0.000 1.004 331 D CA 2.223 56.271 54.000 0.080 0.000 0.854 331 D CB -1.580 39.265 40.800 0.074 0.000 0.936 331 D HN 0.547 nan 8.370 nan 0.000 0.446 332 T N -1.893 112.760 114.554 0.165 0.000 3.219 332 T HA 0.295 4.622 4.350 -0.039 0.000 0.249 332 T C 1.712 176.565 174.700 0.255 0.000 1.099 332 T CA -0.223 61.997 62.100 0.199 0.000 0.988 332 T CB -0.354 68.638 68.868 0.208 0.000 0.999 332 T HN 0.178 nan 8.240 nan 0.000 0.550 333 L N 0.325 121.655 121.223 0.178 0.000 2.693 333 L HA 0.446 4.762 4.340 -0.039 0.000 0.235 333 L C 1.850 178.784 176.870 0.107 0.000 1.127 333 L CA -0.096 54.831 54.840 0.144 0.000 0.914 333 L CB -0.334 41.772 42.059 0.079 0.000 1.193 333 L HN 0.433 nan 8.230 nan 0.000 0.502 334 G N 0.914 109.767 108.800 0.089 0.000 2.321 334 G HA2 -0.207 3.729 3.960 -0.039 0.000 0.287 334 G HA3 -0.207 3.729 3.960 -0.039 0.000 0.287 334 G C 0.921 175.839 174.900 0.029 0.000 1.018 334 G CA 0.518 45.652 45.100 0.056 0.000 0.855 334 G HN 0.770 nan 8.290 nan 0.000 0.507 335 G N -2.103 106.714 108.800 0.028 0.000 2.141 335 G HA2 0.048 3.984 3.960 -0.039 0.000 0.195 335 G HA3 0.048 3.984 3.960 -0.039 0.000 0.195 335 G C 0.364 175.265 174.900 0.001 0.000 1.012 335 G CA 0.284 45.387 45.100 0.006 0.000 0.696 335 G HN 1.750 nan 8.290 nan 0.000 0.508 336 L N 1.047 122.286 121.223 0.026 0.000 2.559 336 L HA 0.472 4.788 4.340 -0.039 0.000 0.274 336 L C 0.477 177.349 176.870 0.004 0.000 1.205 336 L CA 0.310 55.168 54.840 0.030 0.000 0.907 336 L CB 0.901 43.013 42.059 0.088 0.000 1.153 336 L HN 0.185 nan 8.230 nan 0.000 0.490 337 V N 5.311 125.204 119.914 -0.035 0.000 2.417 337 V HA 0.870 4.967 4.120 -0.039 0.000 0.291 337 V C 0.120 176.150 176.094 -0.106 0.000 1.024 337 V CA -0.190 62.071 62.300 -0.066 0.000 0.861 337 V CB 0.971 32.734 31.823 -0.100 0.000 0.985 337 V HN 0.986 nan 8.190 nan 0.000 0.436 338 A N 3.506 126.261 122.820 -0.108 0.000 2.486 338 A HA 0.919 5.216 4.320 -0.039 0.000 0.300 338 A C -0.225 177.264 177.584 -0.158 0.000 1.048 338 A CA -0.384 51.547 52.037 -0.178 0.000 0.696 338 A CB 1.678 20.548 19.000 -0.217 0.000 1.278 338 A HN 1.399 nan 8.150 nan 0.000 0.405 339 A N 1.507 124.190 122.820 -0.228 0.000 2.362 339 A HA 0.646 4.942 4.320 -0.039 0.000 0.276 339 A C 0.859 178.315 177.584 -0.213 0.000 1.153 339 A CA 0.274 52.227 52.037 -0.140 0.000 0.813 339 A CB -0.223 18.716 19.000 -0.102 0.000 1.081 339 A HN 2.378 nan 8.150 nan 0.000 0.507 340 A N 2.630 125.426 122.820 -0.040 0.000 2.583 340 A HA 0.299 4.595 4.320 -0.039 0.000 0.231 340 A C 0.345 177.833 177.584 -0.161 0.000 1.065 340 A CA 0.453 52.502 52.037 0.020 0.000 0.760 340 A CB -0.041 19.032 19.000 0.122 0.000 1.001 340 A HN 0.812 nan 8.150 nan 0.000 0.509 341 E N 1.818 121.970 120.200 -0.079 0.000 3.037 341 E HA 0.206 4.533 4.350 -0.039 0.000 0.220 341 E C -1.953 174.737 176.600 0.151 0.000 1.142 341 E CA -1.552 54.822 56.400 -0.042 0.000 0.888 341 E CB 1.200 30.784 29.700 -0.193 0.000 1.329 341 E HN 0.538 nan 8.360 nan 0.000 0.409 342 P HA -0.021 nan 4.420 nan 0.000 0.229 342 P C 0.330 177.691 177.300 0.102 0.000 1.160 342 P CA 0.518 63.700 63.100 0.136 0.000 0.777 342 P CB 0.617 32.405 31.700 0.146 0.000 0.814 343 G N -1.087 107.764 108.800 0.084 0.000 2.766 343 G HA2 0.510 4.446 3.960 -0.039 0.000 0.297 343 G HA3 0.510 4.446 3.960 -0.039 0.000 0.297 343 G C -1.937 173.077 174.900 0.190 0.000 1.431 343 G CA -0.233 44.927 45.100 0.100 0.000 1.042 343 G HN -0.108 nan 8.290 nan 0.000 0.542 344 V N 0.738 120.755 119.914 0.171 0.000 2.808 344 V HA 0.814 4.910 4.120 -0.039 0.000 0.308 344 V C -0.766 175.339 176.094 0.018 0.000 1.099 344 V CA -0.975 61.418 62.300 0.155 0.000 0.920 344 V CB 1.623 33.520 31.823 0.124 0.000 1.014 344 V HN 1.098 nan 8.190 nan 0.000 0.425 345 V N 3.577 123.418 119.914 -0.121 0.000 2.733 345 V HA 0.946 5.043 4.120 -0.039 0.000 0.306 345 V C -0.477 175.545 176.094 -0.119 0.000 1.084 345 V CA 0.307 62.478 62.300 -0.216 0.000 0.905 345 V CB 2.287 33.776 31.823 -0.556 0.000 1.010 345 V HN 1.281 nan 8.190 nan 0.000 0.424 346 S N 4.972 120.683 115.700 0.018 0.000 2.627 346 S HA 0.819 5.265 4.470 -0.039 0.000 0.283 346 S C -1.430 173.306 174.600 0.227 0.000 1.127 346 S CA -0.741 57.514 58.200 0.091 0.000 0.863 346 S CB 1.904 65.157 63.200 0.088 0.000 1.121 346 S HN 1.274 nan 8.310 nan 0.000 0.479 347 W N 1.523 122.849 121.300 0.044 0.000 2.864 347 W HA 0.744 5.380 4.660 -0.040 0.000 0.343 347 W C -1.114 175.462 176.519 0.094 0.000 1.109 347 W CA -0.095 57.275 57.345 0.042 0.000 1.192 347 W CB 2.100 31.539 29.460 -0.034 0.000 1.426 347 W HN 1.163 nan 8.180 nan 0.000 0.529 348 S N 3.456 118.578 115.700 -0.963 0.000 2.543 348 S HA 0.521 4.967 4.470 -0.039 0.000 0.274 348 S C -3.082 170.387 174.600 -1.885 0.000 1.149 348 S CA -1.508 55.975 58.200 -1.195 0.000 0.866 348 S CB 1.783 64.755 63.200 -0.380 0.000 1.111 348 S HN 0.234 nan 8.310 nan 0.000 0.457 349 P HA 0.226 nan 4.420 nan 0.000 0.264 349 P C 0.918 177.840 177.300 -0.629 0.000 1.183 349 P CA 0.188 62.650 63.100 -1.062 0.000 0.763 349 P CB 0.300 31.633 31.700 -0.611 0.000 0.807 350 A N 5.249 127.816 122.820 -0.422 0.000 1.842 350 A HA -0.216 4.080 4.320 -0.039 0.000 0.217 350 A C 2.142 179.586 177.584 -0.233 0.000 1.206 350 A CA 2.780 54.640 52.037 -0.295 0.000 0.630 350 A CB -1.764 17.126 19.000 -0.183 0.000 0.839 350 A HN 0.569 nan 8.150 nan 0.000 0.447 351 A N -0.244 122.470 122.820 -0.177 0.000 1.855 351 A HA -0.096 4.201 4.320 -0.039 0.000 0.290 351 A C 1.832 179.325 177.584 -0.151 0.000 3.052 351 A CA 3.031 54.982 52.037 -0.142 0.000 0.951 351 A CB -1.805 17.124 19.000 -0.118 0.000 0.770 351 A HN 2.033 nan 8.150 nan 0.000 0.505 352 A N -1.044 121.660 122.820 -0.192 0.000 2.448 352 A HA 0.485 4.781 4.320 -0.039 0.000 0.239 352 A C 0.807 178.312 177.584 -0.132 0.000 1.080 352 A CA 0.316 52.267 52.037 -0.143 0.000 0.779 352 A CB -0.441 18.471 19.000 -0.147 0.000 1.026 352 A HN 1.759 nan 8.150 nan 0.000 0.499 353 G N -0.892 107.852 108.800 -0.093 0.000 2.389 353 G HA2 0.460 4.396 3.960 -0.039 0.000 0.328 353 G HA3 0.460 4.396 3.960 -0.039 0.000 0.328 353 G C 0.527 175.354 174.900 -0.122 0.000 1.133 353 G CA 0.192 45.230 45.100 -0.103 0.000 0.891 353 G HN 0.924 nan 8.290 nan 0.000 0.485 354 E N 1.575 121.657 120.200 -0.197 0.000 2.533 354 E HA -0.134 4.192 4.350 -0.039 0.000 0.203 354 E C 1.628 178.080 176.600 -0.247 0.000 1.101 354 E CA 0.153 56.321 56.400 -0.386 0.000 0.894 354 E CB -0.026 29.332 29.700 -0.569 0.000 0.843 354 E HN 0.369 nan 8.360 nan 0.000 0.552 355 L N 1.092 122.296 121.223 -0.033 0.000 2.044 355 L HA -0.102 4.214 4.340 -0.039 0.000 0.205 355 L C 1.498 178.465 176.870 0.162 0.000 1.075 355 L CA 1.944 56.844 54.840 0.101 0.000 0.747 355 L CB -0.221 41.886 42.059 0.081 0.000 0.903 355 L HN 0.001 nan 8.230 nan 0.000 0.435 356 D N -0.833 119.644 120.400 0.128 0.000 2.077 356 D HA -0.193 4.423 4.640 -0.039 0.000 0.197 356 D C 2.262 178.761 176.300 0.331 0.000 0.983 356 D CA 1.591 55.767 54.000 0.295 0.000 0.841 356 D CB -0.657 40.289 40.800 0.243 0.000 0.992 356 D HN 0.370 nan 8.370 nan 0.000 0.450 357 S N -0.247 115.482 115.700 0.048 0.000 2.407 357 S HA -0.316 4.130 4.470 -0.039 0.000 0.244 357 S C 1.776 176.395 174.600 0.030 0.000 1.077 357 S CA 2.095 60.256 58.200 -0.065 0.000 1.159 357 S CB -0.597 62.436 63.200 -0.277 0.000 1.045 357 S HN 0.380 nan 8.310 nan 0.000 0.438 358 H N -1.632 117.406 119.070 -0.053 0.000 2.296 358 H HA -0.234 4.299 4.556 -0.039 0.000 0.291 358 H C 1.832 177.246 175.328 0.144 0.000 1.074 358 H CA 2.054 58.059 56.048 -0.070 0.000 1.176 358 H CB -0.639 29.059 29.762 -0.107 0.000 1.357 358 H HN 0.643 nan 8.280 nan 0.000 0.520 359 W N 1.115 122.552 121.300 0.228 0.000 2.274 359 W HA -0.348 4.288 4.660 -0.041 0.000 0.314 359 W C 1.859 178.464 176.519 0.143 0.000 1.254 359 W CA 2.090 59.525 57.345 0.149 0.000 1.265 359 W CB -0.780 28.724 29.460 0.074 0.000 1.141 359 W HN 0.119 nan 8.180 nan 0.000 0.505 360 F N -0.045 119.962 119.950 0.094 0.000 2.098 360 F HA -0.084 4.421 4.527 -0.038 0.000 0.294 360 F C 2.618 178.354 175.800 -0.106 0.000 1.107 360 F CA 2.172 60.157 58.000 -0.025 0.000 1.234 360 F CB -1.012 38.127 39.000 0.231 0.000 1.002 360 F HN -0.328 nan 8.300 nan 0.000 0.472 361 R N 0.059 120.666 120.500 0.177 0.000 2.244 361 R HA -0.259 4.058 4.340 -0.039 0.000 0.252 361 R C 1.724 178.022 176.300 -0.003 0.000 1.177 361 R CA 1.809 57.953 56.100 0.073 0.000 1.004 361 R CB -0.553 29.764 30.300 0.028 0.000 0.873 361 R HN 0.412 nan 8.270 nan 0.000 0.469 362 E N -0.537 119.609 120.200 -0.090 0.000 2.400 362 E HA -0.033 4.293 4.350 -0.039 0.000 0.195 362 E C 1.736 178.190 176.600 -0.244 0.000 1.012 362 E CA 0.196 56.507 56.400 -0.148 0.000 0.875 362 E CB 0.485 30.097 29.700 -0.147 0.000 0.859 362 E HN 0.210 nan 8.360 nan 0.000 0.498 363 Q N -1.005 118.566 119.800 -0.381 0.000 2.394 363 Q HA 0.011 4.328 4.340 -0.039 0.000 0.218 363 Q C 1.951 177.727 176.000 -0.372 0.000 0.907 363 Q CA 1.434 56.983 55.803 -0.424 0.000 0.919 363 Q CB 0.681 29.021 28.738 -0.664 0.000 1.051 363 Q HN 0.309 nan 8.270 nan 0.000 0.538 364 T N -2.083 112.286 114.554 -0.308 0.000 3.100 364 T HA 0.186 4.512 4.350 -0.039 0.000 0.253 364 T C 1.037 175.674 174.700 -0.106 0.000 1.118 364 T CA 0.226 62.180 62.100 -0.243 0.000 1.058 364 T CB -0.121 68.702 68.868 -0.075 0.000 0.953 364 T HN 0.125 nan 8.240 nan 0.000 0.515 365 G N 0.273 109.031 108.800 -0.070 0.000 2.353 365 G HA2 0.467 4.404 3.960 -0.039 0.000 0.239 365 G HA3 0.467 4.404 3.960 -0.039 0.000 0.239 365 G C 0.052 174.978 174.900 0.043 0.000 1.295 365 G CA -0.125 44.967 45.100 -0.014 0.000 0.884 365 G HN 0.666 nan 8.290 nan 0.000 0.537 366 G N 0.185 109.032 108.800 0.078 0.000 2.719 366 G HA2 0.569 4.506 3.960 -0.039 0.000 0.298 366 G HA3 0.569 4.506 3.960 -0.039 0.000 0.298 366 G C -1.144 174.001 174.900 0.407 0.000 1.411 366 G CA -0.712 44.571 45.100 0.305 0.000 0.991 366 G HN 0.658 nan 8.290 nan 0.000 0.509 367 I N 1.440 122.251 120.570 0.401 0.000 2.498 367 I HA 0.360 4.507 4.170 -0.039 0.000 0.290 367 I C -0.121 176.061 176.117 0.109 0.000 1.032 367 I CA -0.651 60.820 61.300 0.286 0.000 1.073 367 I CB 2.271 40.361 38.000 0.151 0.000 1.251 367 I HN 0.180 nan 8.210 nan 0.000 0.426 368 L N 5.830 127.051 121.223 -0.003 0.000 2.349 368 L HA 0.506 4.822 4.340 -0.039 0.000 0.275 368 L C 0.174 177.061 176.870 0.029 0.000 1.115 368 L CA -0.321 54.410 54.840 -0.183 0.000 0.820 368 L CB 0.875 42.623 42.059 -0.519 0.000 1.135 368 L HN 0.590 nan 8.230 nan 0.000 0.445 369 R N 2.457 123.054 120.500 0.161 0.000 2.637 369 R HA 0.196 4.512 4.340 -0.039 0.000 0.291 369 R C -0.298 176.235 176.300 0.387 0.000 0.963 369 R CA -0.751 55.448 56.100 0.165 0.000 0.901 369 R CB 1.480 31.755 30.300 -0.040 0.000 1.160 369 R HN 0.578 nan 8.270 nan 0.000 0.457 370 E N 2.976 123.347 120.200 0.285 0.000 2.729 370 E HA -0.228 4.099 4.350 -0.039 0.000 0.246 370 E C -0.596 176.153 176.600 0.249 0.000 0.984 370 E CA 0.471 57.000 56.400 0.216 0.000 0.951 370 E CB 0.185 29.984 29.700 0.166 0.000 0.914 370 E HN 0.495 nan 8.360 nan 0.000 0.509 371 N N 5.394 124.126 118.700 0.054 0.000 2.410 371 N HA -0.062 4.655 4.740 -0.039 0.000 0.281 371 N C 0.674 176.099 175.510 -0.141 0.000 1.241 371 N CA -0.292 52.688 53.050 -0.117 0.000 0.998 371 N CB 0.104 38.420 38.487 -0.286 0.000 1.376 371 N HN 0.405 nan 8.380 nan 0.000 0.490 372 F N 0.992 121.022 119.950 0.135 0.000 2.661 372 F HA 0.141 4.644 4.527 -0.040 0.000 0.298 372 F C 1.775 177.534 175.800 -0.067 0.000 1.137 372 F CA -0.568 57.428 58.000 -0.005 0.000 1.454 372 F CB -0.585 38.391 39.000 -0.041 0.000 1.103 372 F HN 0.302 nan 8.300 nan 0.000 0.577 373 C N 0.773 120.009 119.300 -0.107 0.000 2.511 373 C HA 0.050 4.486 4.460 -0.039 0.000 0.277 373 C C 2.498 177.471 174.990 -0.028 0.000 1.451 373 C CA 0.162 59.147 59.018 -0.055 0.000 1.735 373 C CB -1.877 25.793 27.740 -0.118 0.000 1.704 373 C HN 0.506 nan 8.230 nan 0.000 0.571 374 R N 0.775 121.252 120.500 -0.038 0.000 2.140 374 R HA 0.009 4.326 4.340 -0.039 0.000 0.213 374 R C 2.408 178.694 176.300 -0.023 0.000 1.059 374 R CA 0.540 56.613 56.100 -0.044 0.000 1.000 374 R CB -0.162 30.087 30.300 -0.086 0.000 0.910 374 R HN 0.535 nan 8.270 nan 0.000 0.455 375 R N 0.652 121.154 120.500 0.003 0.000 2.210 375 R HA -0.023 4.293 4.340 -0.039 0.000 0.203 375 R C 1.371 177.676 176.300 0.008 0.000 1.010 375 R CA 1.773 57.879 56.100 0.010 0.000 1.008 375 R CB 0.234 30.550 30.300 0.027 0.000 0.923 375 R HN 0.176 nan 8.270 nan 0.000 0.469 376 T N -3.840 110.726 114.554 0.020 0.000 2.975 376 T HA 0.295 4.621 4.350 -0.039 0.000 0.257 376 T C 0.559 175.242 174.700 -0.027 0.000 1.003 376 T CA 0.190 62.291 62.100 0.002 0.000 0.932 376 T CB 0.798 69.681 68.868 0.026 0.000 1.087 376 T HN 0.349 nan 8.240 nan 0.000 0.512 377 G N 1.083 109.867 108.800 -0.028 0.000 3.421 377 G HA2 0.198 4.134 3.960 -0.039 0.000 0.656 377 G HA3 0.198 4.134 3.960 -0.039 0.000 0.656 377 G C 0.824 175.680 174.900 -0.074 0.000 1.007 377 G CA -0.403 44.667 45.100 -0.049 0.000 0.811 377 G HN 0.918 nan 8.290 nan 0.000 0.433 378 A N 1.914 124.691 122.820 -0.072 0.000 1.958 378 A HA -0.082 4.214 4.320 -0.039 0.000 0.221 378 A C 1.890 179.306 177.584 -0.280 0.000 1.178 378 A CA 2.192 54.159 52.037 -0.117 0.000 0.642 378 A CB -0.203 18.777 19.000 -0.033 0.000 0.816 378 A HN 0.871 nan 8.150 nan 0.000 0.453 379 E N -1.100 118.928 120.200 -0.287 0.000 2.463 379 E HA 0.056 4.382 4.350 -0.039 0.000 0.191 379 E C 0.753 177.287 176.600 -0.111 0.000 1.083 379 E CA 0.014 56.284 56.400 -0.216 0.000 0.872 379 E CB 0.075 29.704 29.700 -0.119 0.000 0.966 379 E HN 0.543 nan 8.360 nan 0.000 0.491 380 R N -0.233 120.162 120.500 -0.175 0.000 2.549 380 R HA 0.212 4.529 4.340 -0.039 0.000 0.361 380 R C -0.341 175.760 176.300 -0.331 0.000 0.969 380 R CA 0.013 55.869 56.100 -0.407 0.000 1.158 380 R CB 1.270 31.392 30.300 -0.298 0.000 1.456 380 R HN -0.150 nan 8.270 nan 0.000 0.540 381 S N 1.045 116.715 115.700 -0.051 0.000 2.647 381 S HA 0.551 4.997 4.470 -0.039 0.000 0.300 381 S C -0.822 173.921 174.600 0.237 0.000 1.129 381 S CA -0.506 57.742 58.200 0.080 0.000 1.029 381 S CB 1.860 65.081 63.200 0.034 0.000 1.007 381 S HN 0.078 nan 8.310 nan 0.000 0.484 382 I N 3.045 123.757 120.570 0.237 0.000 2.569 382 I HA 0.379 4.525 4.170 -0.039 0.000 0.290 382 I C -0.184 176.016 176.117 0.138 0.000 1.088 382 I CA -0.499 60.906 61.300 0.176 0.000 1.047 382 I CB 1.968 39.992 38.000 0.041 0.000 1.237 382 I HN 0.534 nan 8.210 nan 0.000 0.421 383 M N 5.525 125.197 119.600 0.118 0.000 2.219 383 M HA 0.267 4.724 4.480 -0.039 0.000 0.353 383 M C 1.077 177.387 176.300 0.018 0.000 1.304 383 M CA 0.242 55.599 55.300 0.095 0.000 1.115 383 M CB 1.480 34.112 32.600 0.054 0.000 1.664 383 M HN 0.913 nan 8.290 nan 0.000 0.459 384 A N 5.251 128.126 122.820 0.091 0.000 1.873 384 A HA -0.121 4.175 4.320 -0.039 0.000 0.218 384 A C 1.888 179.561 177.584 0.148 0.000 1.193 384 A CA 2.352 54.505 52.037 0.193 0.000 0.629 384 A CB -1.754 17.466 19.000 0.366 0.000 0.826 384 A HN 1.112 nan 8.150 nan 0.000 0.447 385 G N -1.195 107.638 108.800 0.055 0.000 2.513 385 G HA2 -0.269 3.668 3.960 -0.039 0.000 0.219 385 G HA3 -0.269 3.668 3.960 -0.039 0.000 0.219 385 G C 1.586 176.486 174.900 -0.000 0.000 1.160 385 G CA 1.901 47.013 45.100 0.019 0.000 0.767 385 G HN 0.489 nan 8.290 nan 0.000 0.571 386 T N 1.009 115.513 114.554 -0.084 0.000 2.857 386 T HA -0.060 4.266 4.350 -0.039 0.000 0.266 386 T C 2.228 176.799 174.700 -0.214 0.000 1.048 386 T CA 0.980 62.981 62.100 -0.166 0.000 1.139 386 T CB -0.239 68.485 68.868 -0.241 0.000 0.874 386 T HN 0.138 nan 8.240 nan 0.000 0.455 387 L N 0.678 121.722 121.223 -0.299 0.000 2.129 387 L HA -0.028 4.289 4.340 -0.039 0.000 0.212 387 L C 1.005 177.454 176.870 -0.702 0.000 1.087 387 L CA 1.790 56.259 54.840 -0.618 0.000 0.757 387 L CB -0.673 40.886 42.059 -0.833 0.000 0.896 387 L HN 0.222 nan 8.230 nan 0.000 0.434 388 F N -0.615 119.264 119.950 -0.119 0.000 2.654 388 F HA 0.512 5.015 4.527 -0.039 0.000 0.303 388 F C 1.054 176.837 175.800 -0.028 0.000 1.099 388 F CA -0.090 57.861 58.000 -0.081 0.000 1.270 388 F CB -0.805 38.174 39.000 -0.036 0.000 1.024 388 F HN 0.052 nan 8.300 nan 0.000 0.548 389 A N 0.363 123.231 122.820 0.080 0.000 2.242 389 A HA 0.750 5.047 4.320 -0.039 0.000 0.304 389 A C 0.259 177.927 177.584 0.140 0.000 1.100 389 A CA -0.675 51.435 52.037 0.122 0.000 0.860 389 A CB 0.686 19.750 19.000 0.107 0.000 1.168 389 A HN 0.028 nan 8.150 nan 0.000 0.503 390 R N 0.297 120.927 120.500 0.217 0.000 2.254 390 R HA 0.410 4.726 4.340 -0.039 0.000 0.318 390 R C 0.693 177.253 176.300 0.434 0.000 1.031 390 R CA 0.038 56.266 56.100 0.213 0.000 0.905 390 R CB 0.342 30.677 30.300 0.058 0.000 1.050 390 R HN 0.863 nan 8.270 nan 0.000 0.456 391 G N 0.381 109.378 108.800 0.329 0.000 2.631 391 G HA2 0.138 4.075 3.960 -0.039 0.000 0.271 391 G HA3 0.138 4.075 3.960 -0.039 0.000 0.271 391 G C 1.175 176.352 174.900 0.462 0.000 1.302 391 G CA -0.083 45.275 45.100 0.430 0.000 1.002 391 G HN 0.378 nan 8.290 nan 0.000 0.519 392 V N -1.364 118.707 119.914 0.262 0.000 2.546 392 V HA -0.156 3.941 4.120 -0.039 0.000 0.254 392 V C 1.752 177.896 176.094 0.082 0.000 1.076 392 V CA 2.399 64.702 62.300 0.006 0.000 1.087 392 V CB -0.850 30.817 31.823 -0.261 0.000 0.674 392 V HN 0.654 nan 8.190 nan 0.000 0.470 393 D N -0.028 120.424 120.400 0.087 0.000 2.325 393 D HA 0.117 4.734 4.640 -0.039 0.000 0.225 393 D C 0.850 177.168 176.300 0.030 0.000 1.096 393 D CA -0.399 53.626 54.000 0.041 0.000 0.844 393 D CB -0.607 40.206 40.800 0.022 0.000 0.925 393 D HN 0.469 nan 8.370 nan 0.000 0.513 394 L N -0.365 120.892 121.223 0.058 0.000 3.660 394 L HA -0.231 4.085 4.340 -0.039 0.000 0.440 394 L C -0.746 176.115 176.870 -0.015 0.000 1.262 394 L CA 0.651 55.468 54.840 -0.037 0.000 0.837 394 L CB -1.350 40.618 42.059 -0.151 0.000 1.689 394 L HN 0.229 nan 8.230 nan 0.000 0.890 395 Q N 0.498 120.317 119.800 0.032 0.000 2.304 395 Q HA 0.422 4.738 4.340 -0.039 0.000 0.270 395 Q C -2.278 173.746 176.000 0.040 0.000 1.035 395 Q CA -1.882 53.927 55.803 0.011 0.000 0.781 395 Q CB 2.163 30.904 28.738 0.004 0.000 1.261 395 Q HN -0.078 nan 8.270 nan 0.000 0.444 396 P HA -0.028 nan 4.420 nan 0.000 0.255 396 P C 0.442 177.746 177.300 0.008 0.000 1.173 396 P CA 0.479 63.603 63.100 0.039 0.000 0.780 396 P CB 0.375 32.097 31.700 0.037 0.000 0.758 397 M N 3.354 122.957 119.600 0.006 0.000 2.358 397 M HA -0.165 4.291 4.480 -0.039 0.000 0.264 397 M C 1.896 178.159 176.300 -0.063 0.000 1.064 397 M CA 1.339 56.632 55.300 -0.013 0.000 1.093 397 M CB -0.586 32.002 32.600 -0.021 0.000 1.401 397 M HN 0.265 nan 8.290 nan 0.000 0.440 398 I N 0.724 121.206 120.570 -0.148 0.000 2.264 398 I HA -0.305 3.842 4.170 -0.039 0.000 0.248 398 I C 2.349 178.394 176.117 -0.119 0.000 1.111 398 I CA 1.716 62.866 61.300 -0.250 0.000 1.382 398 I CB -0.291 37.510 38.000 -0.332 0.000 1.060 398 I HN 0.310 nan 8.210 nan 0.000 0.418 399 Q N 0.411 120.163 119.800 -0.079 0.000 1.927 399 Q HA -0.266 4.051 4.340 -0.039 0.000 0.210 399 Q C 2.318 178.303 176.000 -0.025 0.000 1.001 399 Q CA 2.992 58.761 55.803 -0.057 0.000 0.862 399 Q CB -1.757 26.959 28.738 -0.038 0.000 0.934 399 Q HN 0.688 nan 8.270 nan 0.000 0.420 400 T N -0.791 113.764 114.554 0.002 0.000 2.778 400 T HA -0.202 4.125 4.350 -0.039 0.000 0.269 400 T C 1.722 176.435 174.700 0.023 0.000 1.050 400 T CA 1.457 63.562 62.100 0.007 0.000 1.137 400 T CB -0.658 68.221 68.868 0.019 0.000 0.860 400 T HN 0.264 nan 8.240 nan 0.000 0.468 401 F N 1.976 121.858 119.950 -0.113 0.000 2.102 401 F HA 0.079 4.583 4.527 -0.038 0.000 0.298 401 F C 2.003 177.740 175.800 -0.105 0.000 1.105 401 F CA 1.216 59.154 58.000 -0.103 0.000 1.239 401 F CB -0.281 38.631 39.000 -0.146 0.000 0.991 401 F HN 0.084 nan 8.300 nan 0.000 0.474 402 L N -0.168 121.003 121.223 -0.086 0.000 2.131 402 L HA -0.082 4.234 4.340 -0.039 0.000 0.206 402 L C 2.589 179.299 176.870 -0.266 0.000 1.087 402 L CA 0.925 55.555 54.840 -0.350 0.000 0.767 402 L CB -0.712 41.133 42.059 -0.356 0.000 0.917 402 L HN 0.031 nan 8.230 nan 0.000 0.441 403 R N -0.003 120.422 120.500 -0.126 0.000 2.127 403 R HA -0.156 4.160 4.340 -0.039 0.000 0.238 403 R C 2.268 178.524 176.300 -0.074 0.000 1.134 403 R CA 1.963 58.028 56.100 -0.057 0.000 0.975 403 R CB -0.527 29.753 30.300 -0.034 0.000 0.865 403 R HN 0.534 nan 8.270 nan 0.000 0.447 404 T N -3.056 111.405 114.554 -0.154 0.000 3.054 404 T HA -0.001 4.325 4.350 -0.039 0.000 0.259 404 T C 1.653 176.198 174.700 -0.257 0.000 1.092 404 T CA 0.525 62.509 62.100 -0.192 0.000 1.121 404 T CB -0.051 68.687 68.868 -0.217 0.000 0.912 404 T HN 0.247 nan 8.240 nan 0.000 0.489 405 H N -0.347 118.512 119.070 -0.351 0.000 2.482 405 H HA 0.138 4.671 4.556 -0.039 0.000 0.286 405 H C 0.396 175.741 175.328 0.027 0.000 1.017 405 H CA 0.915 56.773 56.048 -0.317 0.000 1.322 405 H CB 0.209 29.569 29.762 -0.670 0.000 1.426 405 H HN 0.369 nan 8.280 nan 0.000 0.546 406 Y N 0.190 120.522 120.300 0.053 0.000 2.708 406 Y HA 0.279 4.806 4.550 -0.039 0.000 0.287 406 Y C 1.812 177.726 175.900 0.025 0.000 1.145 406 Y CA -0.166 57.968 58.100 0.056 0.000 1.249 406 Y CB 0.193 38.698 38.460 0.075 0.000 1.152 406 Y HN 0.296 nan 8.280 nan 0.000 0.532 407 G N 0.986 109.872 108.800 0.144 0.000 5.431 407 G HA2 -0.369 3.567 3.960 -0.039 0.000 0.322 407 G HA3 -0.369 3.567 3.960 -0.039 0.000 0.322 407 G C 0.695 175.627 174.900 0.052 0.000 1.370 407 G CA 0.759 45.902 45.100 0.072 0.000 0.963 407 G HN 0.480 nan 8.290 nan 0.000 0.797 408 E N 1.161 121.403 120.200 0.069 0.000 2.561 408 E HA 0.715 5.042 4.350 -0.039 0.000 0.254 408 E C 0.556 177.191 176.600 0.058 0.000 1.213 408 E CA -0.444 55.985 56.400 0.049 0.000 0.995 408 E CB 0.994 30.718 29.700 0.040 0.000 1.233 408 E HN 1.289 nan 8.360 nan 0.000 0.556 409 A N 0.534 123.378 122.820 0.040 0.000 2.445 409 A HA 0.269 4.566 4.320 -0.039 0.000 0.242 409 A C -0.515 177.106 177.584 0.062 0.000 1.075 409 A CA -0.387 51.673 52.037 0.038 0.000 0.777 409 A CB -0.065 18.948 19.000 0.022 0.000 1.013 409 A HN 0.384 nan 8.150 nan 0.000 0.493 410 L N 3.443 124.708 121.223 0.069 0.000 2.257 410 L HA 0.246 4.562 4.340 -0.039 0.000 0.290 410 L C 0.397 177.313 176.870 0.077 0.000 1.044 410 L CA -0.233 54.669 54.840 0.103 0.000 0.810 410 L CB 1.100 43.240 42.059 0.136 0.000 1.193 410 L HN 0.815 nan 8.230 nan 0.000 0.425 411 D N 1.663 122.107 120.400 0.074 0.000 2.362 411 D HA -0.075 4.542 4.640 -0.039 0.000 0.238 411 D C 0.411 176.755 176.300 0.073 0.000 1.212 411 D CA -0.286 53.749 54.000 0.060 0.000 0.902 411 D CB 0.938 41.767 40.800 0.049 0.000 1.180 411 D HN 0.424 nan 8.370 nan 0.000 0.445 412 D N 0.827 121.262 120.400 0.058 0.000 2.160 412 D HA -0.221 4.395 4.640 -0.039 0.000 0.189 412 D C 1.519 177.876 176.300 0.096 0.000 1.003 412 D CA 1.267 55.305 54.000 0.064 0.000 0.846 412 D CB -0.334 40.492 40.800 0.044 0.000 0.949 412 D HN 0.440 nan 8.370 nan 0.000 0.446 413 N N 0.618 119.371 118.700 0.089 0.000 2.137 413 N HA -0.153 4.564 4.740 -0.039 0.000 0.190 413 N C 1.727 177.344 175.510 0.179 0.000 1.017 413 N CA 1.362 54.479 53.050 0.112 0.000 0.859 413 N CB -0.385 38.144 38.487 0.069 0.000 1.002 413 N HN 0.198 nan 8.380 nan 0.000 0.428 414 A N 1.193 124.117 122.820 0.174 0.000 1.858 414 A HA -0.082 4.214 4.320 -0.039 0.000 0.216 414 A C 2.447 180.243 177.584 0.353 0.000 1.190 414 A CA 0.992 53.186 52.037 0.262 0.000 0.617 414 A CB -0.862 18.274 19.000 0.226 0.000 0.827 414 A HN 0.244 nan 8.150 nan 0.000 0.443 415 L N -0.811 120.567 121.223 0.258 0.000 2.043 415 L HA -0.227 4.089 4.340 -0.039 0.000 0.212 415 L C 2.645 179.713 176.870 0.330 0.000 1.075 415 L CA 1.301 56.293 54.840 0.254 0.000 0.752 415 L CB -0.494 41.640 42.059 0.123 0.000 0.891 415 L HN 0.398 nan 8.230 nan 0.000 0.432 416 L N -1.929 119.452 121.223 0.264 0.000 2.056 416 L HA -0.261 4.055 4.340 -0.039 0.000 0.207 416 L C 2.572 179.657 176.870 0.358 0.000 1.078 416 L CA 1.166 56.172 54.840 0.276 0.000 0.749 416 L CB -0.556 41.616 42.059 0.187 0.000 0.901 416 L HN 0.205 nan 8.230 nan 0.000 0.433 417 Y N -0.453 119.984 120.300 0.229 0.000 2.070 417 Y HA -0.354 4.172 4.550 -0.039 0.000 0.280 417 Y C 2.373 178.426 175.900 0.257 0.000 1.148 417 Y CA 1.643 59.860 58.100 0.195 0.000 1.125 417 Y CB -0.793 37.745 38.460 0.131 0.000 0.975 417 Y HN 0.198 nan 8.280 nan 0.000 0.492 418 W N 0.116 121.473 121.300 0.095 0.000 2.289 418 W HA -0.402 4.234 4.660 -0.040 0.000 0.331 418 W C 2.452 179.009 176.519 0.065 0.000 1.283 418 W CA 2.945 60.331 57.345 0.070 0.000 1.252 418 W CB -1.170 28.420 29.460 0.217 0.000 1.153 418 W HN 0.236 nan 8.180 nan 0.000 0.467 419 F N 1.330 121.602 119.950 0.536 0.000 2.184 419 F HA -0.306 4.197 4.527 -0.040 0.000 0.301 419 F C 1.939 177.813 175.800 0.123 0.000 1.076 419 F CA 2.490 60.732 58.000 0.403 0.000 1.295 419 F CB -0.598 38.556 39.000 0.257 0.000 1.026 419 F HN -0.136 nan 8.300 nan 0.000 0.494 420 D N -0.155 120.277 120.400 0.054 0.000 2.234 420 D HA -0.122 4.495 4.640 -0.039 0.000 0.205 420 D C 1.795 177.928 176.300 -0.279 0.000 0.962 420 D CA 1.056 55.007 54.000 -0.083 0.000 0.855 420 D CB -0.211 40.614 40.800 0.043 0.000 0.951 420 D HN 0.341 nan 8.370 nan 0.000 0.500 421 D N -0.981 119.172 120.400 -0.411 0.000 2.137 421 D HA -0.134 4.482 4.640 -0.039 0.000 0.202 421 D C 1.732 177.783 176.300 -0.414 0.000 0.970 421 D CA 0.414 54.149 54.000 -0.441 0.000 0.837 421 D CB -0.234 40.235 40.800 -0.552 0.000 0.981 421 D HN 0.295 nan 8.370 nan 0.000 0.475 422 Y N 2.334 122.223 120.300 -0.685 0.000 2.030 422 Y HA -0.370 4.155 4.550 -0.040 0.000 0.274 422 Y C 2.620 178.231 175.900 -0.482 0.000 1.153 422 Y CA 2.848 60.571 58.100 -0.628 0.000 1.115 422 Y CB -0.120 37.899 38.460 -0.735 0.000 0.969 422 Y HN -0.050 nan 8.280 nan 0.000 0.488 423 Q N -0.870 118.596 119.800 -0.556 0.000 2.224 423 Q HA -0.106 4.211 4.340 -0.039 0.000 0.203 423 Q C 1.710 177.485 176.000 -0.375 0.000 0.970 423 Q CA 2.100 57.566 55.803 -0.563 0.000 0.865 423 Q CB -1.162 27.206 28.738 -0.618 0.000 0.922 423 Q HN 0.356 nan 8.270 nan 0.000 0.445 424 T N 0.672 115.044 114.554 -0.302 0.000 2.759 424 T HA -0.111 4.216 4.350 -0.039 0.000 0.269 424 T C 1.605 176.180 174.700 -0.209 0.000 1.042 424 T CA 1.650 63.631 62.100 -0.198 0.000 1.140 424 T CB -0.151 68.622 68.868 -0.157 0.000 0.864 424 T HN 0.380 nan 8.240 nan 0.000 0.455 425 R N -0.050 120.276 120.500 -0.289 0.000 2.240 425 R HA 0.225 4.541 4.340 -0.039 0.000 0.203 425 R C 2.148 178.267 176.300 -0.301 0.000 1.011 425 R CA 0.289 56.229 56.100 -0.267 0.000 1.007 425 R CB -0.158 29.971 30.300 -0.286 0.000 0.911 425 R HN 0.262 nan 8.270 nan 0.000 0.468 426 L N 0.054 121.027 121.223 -0.416 0.000 2.253 426 L HA 0.074 4.391 4.340 -0.039 0.000 0.205 426 L C 1.637 178.367 176.870 -0.234 0.000 1.078 426 L CA 1.359 55.968 54.840 -0.384 0.000 0.805 426 L CB 0.001 41.695 42.059 -0.607 0.000 0.963 426 L HN 0.028 nan 8.230 nan 0.000 0.459 427 L N -0.772 120.332 121.223 -0.198 0.000 2.023 427 L HA -0.076 4.240 4.340 -0.039 0.000 0.205 427 L C 2.751 179.613 176.870 -0.014 0.000 1.073 427 L CA 1.020 55.813 54.840 -0.079 0.000 0.745 427 L CB -0.606 41.446 42.059 -0.011 0.000 0.900 427 L HN 0.187 nan 8.230 nan 0.000 0.435 428 R N 0.039 120.520 120.500 -0.032 0.000 2.136 428 R HA -0.227 4.089 4.340 -0.039 0.000 0.242 428 R C -0.196 176.127 176.300 0.039 0.000 1.131 428 R CA 2.543 58.644 56.100 0.003 0.000 0.937 428 R CB -1.526 28.761 30.300 -0.022 0.000 0.863 428 R HN 0.312 nan 8.270 nan 0.000 0.435 429 P HA -0.072 nan 4.420 nan 0.000 0.215 429 P C 1.418 178.777 177.300 0.097 0.000 1.157 429 P CA 0.906 64.036 63.100 0.050 0.000 0.859 429 P CB 0.046 31.750 31.700 0.007 0.000 0.786 430 V N -0.356 119.601 119.914 0.071 0.000 2.295 430 V HA -0.227 3.869 4.120 -0.039 0.000 0.246 430 V C 2.423 178.654 176.094 0.228 0.000 1.049 430 V CA 1.772 64.143 62.300 0.118 0.000 1.024 430 V CB -1.192 30.657 31.823 0.042 0.000 0.648 430 V HN 0.049 nan 8.190 nan 0.000 0.447 431 L N -0.526 120.843 121.223 0.243 0.000 2.109 431 L HA -0.090 4.226 4.340 -0.039 0.000 0.207 431 L C 2.589 179.728 176.870 0.447 0.000 1.086 431 L CA 1.370 56.458 54.840 0.412 0.000 0.760 431 L CB -0.609 41.648 42.059 0.331 0.000 0.910 431 L HN 0.299 nan 8.230 nan 0.000 0.437 432 S N 0.376 116.244 115.700 0.280 0.000 2.356 432 S HA -0.167 4.279 4.470 -0.039 0.000 0.223 432 S C 2.006 176.790 174.600 0.306 0.000 1.032 432 S CA 1.201 59.555 58.200 0.257 0.000 1.005 432 S CB -0.411 62.896 63.200 0.179 0.000 0.867 432 S HN 0.278 nan 8.310 nan 0.000 0.449 433 L N -0.173 121.219 121.223 0.281 0.000 2.042 433 L HA -0.156 4.160 4.340 -0.039 0.000 0.210 433 L C 2.253 179.276 176.870 0.256 0.000 1.076 433 L CA 1.523 56.515 54.840 0.254 0.000 0.749 433 L CB -0.375 41.798 42.059 0.191 0.000 0.893 433 L HN 0.269 nan 8.230 nan 0.000 0.432 434 F N 0.032 120.071 119.950 0.148 0.000 2.022 434 F HA -0.222 4.281 4.527 -0.039 0.000 0.293 434 F C 2.136 177.909 175.800 -0.045 0.000 1.142 434 F CA 1.634 59.642 58.000 0.015 0.000 1.177 434 F CB -0.502 38.459 39.000 -0.064 0.000 0.982 434 F HN -0.144 nan 8.300 nan 0.000 0.473 435 F N 0.635 120.837 119.950 0.421 0.000 2.234 435 F HA -0.154 4.350 4.527 -0.040 0.000 0.299 435 F C 2.102 177.906 175.800 0.006 0.000 1.087 435 F CA 1.081 59.220 58.000 0.233 0.000 1.340 435 F CB -0.726 38.394 39.000 0.200 0.000 1.031 435 F HN 0.059 nan 8.300 nan 0.000 0.500 436 N N -1.603 117.162 118.700 0.107 0.000 2.446 436 N HA -0.063 4.653 4.740 -0.039 0.000 0.179 436 N C 1.095 176.275 175.510 -0.550 0.000 1.054 436 N CA 0.968 53.873 53.050 -0.242 0.000 0.905 436 N CB -0.068 38.217 38.487 -0.337 0.000 0.973 436 N HN 0.370 nan 8.380 nan 0.000 0.448 437 H N -2.293 116.781 119.070 0.007 0.000 3.899 437 H HA 0.207 4.739 4.556 -0.040 0.000 0.260 437 H C 0.888 176.203 175.328 -0.022 0.000 1.122 437 H CA 0.703 56.766 56.048 0.025 0.000 1.165 437 H CB 0.874 30.610 29.762 -0.044 0.000 1.503 437 H HN 0.163 nan 8.280 nan 0.000 0.671 438 G N 1.794 110.528 108.800 -0.110 0.000 2.153 438 G HA2 -0.287 3.649 3.960 -0.039 0.000 0.252 438 G HA3 -0.287 3.649 3.960 -0.039 0.000 0.252 438 G C 0.255 175.029 174.900 -0.210 0.000 0.994 438 G CA 0.566 45.472 45.100 -0.323 0.000 0.698 438 G HN 0.205 nan 8.290 nan 0.000 0.521 439 V N 1.256 121.114 119.914 -0.094 0.000 2.405 439 V HA 0.354 4.451 4.120 -0.039 0.000 0.264 439 V C 0.852 176.965 176.094 0.033 0.000 1.048 439 V CA -0.304 61.950 62.300 -0.078 0.000 0.966 439 V CB 1.486 33.206 31.823 -0.170 0.000 1.015 439 V HN 0.279 nan 8.190 nan 0.000 0.477 440 V N 7.336 127.284 119.914 0.057 0.000 2.368 440 V HA 0.341 4.437 4.120 -0.039 0.000 0.266 440 V C 0.512 176.704 176.094 0.163 0.000 1.045 440 V CA -0.370 62.050 62.300 0.199 0.000 0.899 440 V CB 0.901 32.864 31.823 0.234 0.000 1.006 440 V HN 0.704 nan 8.190 nan 0.000 0.470 441 M N 3.073 122.788 119.600 0.192 0.000 2.369 441 M HA 0.449 4.905 4.480 -0.039 0.000 0.291 441 M C 0.361 176.731 176.300 0.118 0.000 1.178 441 M CA -0.177 55.215 55.300 0.153 0.000 0.996 441 M CB 0.906 33.590 32.600 0.141 0.000 1.472 441 M HN 0.641 nan 8.290 nan 0.000 0.496 442 E N 2.678 122.916 120.200 0.063 0.000 3.167 442 E HA 0.266 4.592 4.350 -0.039 0.000 0.212 442 E C -2.190 174.353 176.600 -0.094 0.000 1.143 442 E CA -1.597 54.831 56.400 0.046 0.000 1.002 442 E CB 0.757 30.497 29.700 0.066 0.000 1.315 442 E HN 0.209 nan 8.360 nan 0.000 0.422 443 P HA 0.091 nan 4.420 nan 0.000 0.212 443 P C -0.649 176.659 177.300 0.013 0.000 1.816 443 P CA -0.217 62.849 63.100 -0.057 0.000 0.944 443 P CB -0.561 31.136 31.700 -0.005 0.000 1.896 444 H N -1.081 117.982 119.070 -0.011 0.000 2.408 444 H HA 0.237 4.771 4.556 -0.037 0.000 0.345 444 H C 1.403 176.557 175.328 -0.290 0.000 1.547 444 H CA -0.763 55.199 56.048 -0.142 0.000 1.447 444 H CB -0.294 29.392 29.762 -0.127 0.000 1.686 444 H HN -0.147 nan 8.280 nan 0.000 0.625 445 L N -1.258 119.899 121.223 -0.109 0.000 2.131 445 L HA -0.151 4.165 4.340 -0.039 0.000 0.210 445 L C 2.667 179.528 176.870 -0.014 0.000 1.092 445 L CA 1.505 56.175 54.840 -0.283 0.000 0.759 445 L CB -0.483 41.446 42.059 -0.215 0.000 0.903 445 L HN 0.684 nan 8.230 nan 0.000 0.435 446 Q N 0.336 120.281 119.800 0.242 0.000 2.187 446 Q HA -0.106 4.211 4.340 -0.039 0.000 0.199 446 Q C 1.102 177.114 176.000 0.019 0.000 0.957 446 Q CA 1.052 56.944 55.803 0.149 0.000 0.857 446 Q CB 0.012 28.882 28.738 0.221 0.000 0.929 446 Q HN 0.503 nan 8.270 nan 0.000 0.453 447 N N 0.547 119.121 118.700 -0.211 0.000 2.413 447 N HA 0.047 4.763 4.740 -0.039 0.000 0.207 447 N C -0.770 174.642 175.510 -0.163 0.000 1.206 447 N CA 0.140 53.035 53.050 -0.259 0.000 0.832 447 N CB 0.520 38.739 38.487 -0.447 0.000 1.037 447 N HN -0.054 nan 8.380 nan 0.000 0.467 448 S N -0.134 115.518 115.700 -0.079 0.000 2.619 448 S HA 0.483 4.929 4.470 -0.039 0.000 0.280 448 S C -0.431 174.183 174.600 0.024 0.000 1.150 448 S CA -0.679 57.514 58.200 -0.011 0.000 0.978 448 S CB 2.608 65.893 63.200 0.142 0.000 1.041 448 S HN -0.179 nan 8.310 nan 0.000 0.485 449 V N 3.577 123.469 119.914 -0.036 0.000 2.540 449 V HA 0.492 4.589 4.120 -0.039 0.000 0.302 449 V C -0.531 175.577 176.094 0.023 0.000 1.035 449 V CA -0.828 61.473 62.300 0.001 0.000 0.873 449 V CB 1.649 33.390 31.823 -0.137 0.000 0.992 449 V HN 0.763 nan 8.190 nan 0.000 0.428 450 L N 6.177 127.472 121.223 0.120 0.000 2.349 450 L HA 0.593 4.909 4.340 -0.039 0.000 0.275 450 L C -0.290 176.651 176.870 0.118 0.000 1.115 450 L CA 0.429 55.364 54.840 0.157 0.000 0.820 450 L CB 1.429 43.631 42.059 0.237 0.000 1.135 450 L HN 0.482 nan 8.230 nan 0.000 0.445 451 V N 5.008 124.963 119.914 0.069 0.000 2.417 451 V HA 0.520 4.617 4.120 -0.039 0.000 0.291 451 V C -0.858 175.286 176.094 0.083 0.000 1.024 451 V CA -0.579 61.737 62.300 0.027 0.000 0.861 451 V CB 1.207 33.008 31.823 -0.038 0.000 0.985 451 V HN 1.010 nan 8.190 nan 0.000 0.436 452 H N 1.946 121.042 119.070 0.042 0.000 2.865 452 H HA 0.654 5.186 4.556 -0.039 0.000 0.362 452 H C -0.710 174.644 175.328 0.043 0.000 1.114 452 H CA -1.062 55.014 56.048 0.046 0.000 1.208 452 H CB 1.574 31.392 29.762 0.094 0.000 1.727 452 H HN 0.405 nan 8.280 nan 0.000 0.534 453 Q N 2.843 122.728 119.800 0.142 0.000 2.553 453 Q HA 0.193 4.509 4.340 -0.039 0.000 0.221 453 Q C -0.645 175.495 176.000 0.233 0.000 1.219 453 Q CA 0.184 56.062 55.803 0.126 0.000 0.955 453 Q CB -0.243 28.544 28.738 0.081 0.000 1.399 453 Q HN 0.787 nan 8.270 nan 0.000 0.551 454 Q N 2.000 122.009 119.800 0.348 0.000 2.457 454 Q HA -0.296 4.021 4.340 -0.039 0.000 0.333 454 Q C 0.672 176.618 176.000 -0.090 0.000 1.448 454 Q CA 0.532 56.497 55.803 0.269 0.000 0.891 454 Q CB -1.800 27.122 28.738 0.306 0.000 1.142 454 Q HN 1.083 nan 8.270 nan 0.000 0.375 455 G N 0.050 108.539 108.800 -0.519 0.000 2.363 455 G HA2 -0.389 3.547 3.960 -0.039 0.000 0.238 455 G HA3 -0.389 3.547 3.960 -0.039 0.000 0.238 455 G C 0.193 175.210 174.900 0.195 0.000 1.062 455 G CA 0.320 45.148 45.100 -0.453 0.000 0.629 455 G HN 0.392 nan 8.290 nan 0.000 0.514 456 R N 2.119 122.767 120.500 0.245 0.000 2.351 456 R HA 0.406 4.722 4.340 -0.039 0.000 0.318 456 R C -2.457 173.883 176.300 0.066 0.000 1.055 456 R CA -1.340 54.868 56.100 0.180 0.000 0.968 456 R CB 0.592 30.998 30.300 0.177 0.000 0.974 456 R HN 0.213 nan 8.270 nan 0.000 0.439 457 P HA -0.009 nan 4.420 nan 0.000 0.271 457 P C -0.280 176.976 177.300 -0.074 0.000 1.220 457 P CA -0.009 63.022 63.100 -0.115 0.000 0.768 457 P CB 1.097 32.584 31.700 -0.356 0.000 0.848 458 Q N 1.426 121.215 119.800 -0.019 0.000 2.499 458 Q HA 0.150 4.466 4.340 -0.039 0.000 0.213 458 Q C 0.233 176.193 176.000 -0.066 0.000 0.929 458 Q CA 1.188 56.968 55.803 -0.037 0.000 0.904 458 Q CB 0.173 28.901 28.738 -0.015 0.000 1.052 458 Q HN 0.537 nan 8.270 nan 0.000 0.589 459 Q N -0.820 118.942 119.800 -0.063 0.000 2.456 459 Q HA 0.509 4.826 4.340 -0.039 0.000 0.283 459 Q C -1.380 174.557 176.000 -0.105 0.000 1.084 459 Q CA -0.417 55.329 55.803 -0.095 0.000 0.801 459 Q CB 3.129 31.814 28.738 -0.088 0.000 1.434 459 Q HN -0.126 nan 8.270 nan 0.000 0.419 460 V N 2.273 122.094 119.914 -0.154 0.000 2.259 460 V HA 0.273 4.370 4.120 -0.039 0.000 0.267 460 V C -0.428 175.578 176.094 -0.147 0.000 1.051 460 V CA -0.544 61.666 62.300 -0.149 0.000 0.830 460 V CB 0.492 32.164 31.823 -0.252 0.000 1.080 460 V HN 0.667 nan 8.190 nan 0.000 0.467 461 L N 6.269 127.388 121.223 -0.172 0.000 2.499 461 L HA 0.314 4.631 4.340 -0.039 0.000 0.273 461 L C -0.517 176.203 176.870 -0.250 0.000 1.195 461 L CA 0.513 55.197 54.840 -0.259 0.000 0.882 461 L CB 0.310 42.103 42.059 -0.442 0.000 1.133 461 L HN 0.466 nan 8.230 nan 0.000 0.483 462 L N 5.929 127.016 121.223 -0.228 0.000 2.330 462 L HA 0.733 5.049 4.340 -0.039 0.000 0.271 462 L C -0.194 176.521 176.870 -0.258 0.000 1.013 462 L CA -0.884 53.837 54.840 -0.199 0.000 0.816 462 L CB 1.780 43.768 42.059 -0.118 0.000 1.287 462 L HN 0.716 nan 8.230 nan 0.000 0.435 463 R N -0.048 120.308 120.500 -0.239 0.000 2.795 463 R HA 0.625 4.942 4.340 -0.039 0.000 0.268 463 R C -1.845 174.328 176.300 -0.212 0.000 1.041 463 R CA -0.768 55.161 56.100 -0.285 0.000 0.927 463 R CB 1.780 31.902 30.300 -0.297 0.000 1.235 463 R HN 0.528 nan 8.270 nan 0.000 0.463 464 D N -0.126 120.107 120.400 -0.280 0.000 3.453 464 D HA -0.097 4.519 4.640 -0.039 0.000 0.216 464 D C -0.793 175.563 176.300 0.094 0.000 1.223 464 D CA 0.095 54.011 54.000 -0.140 0.000 0.689 464 D CB -0.498 40.255 40.800 -0.078 0.000 0.449 464 D HN 0.481 nan 8.370 nan 0.000 0.193 465 F N 1.874 121.797 119.950 -0.045 0.000 2.615 465 F HA 0.132 4.634 4.527 -0.040 0.000 0.297 465 F C 2.336 178.145 175.800 0.015 0.000 1.124 465 F CA 0.861 58.862 58.000 0.001 0.000 1.451 465 F CB -0.335 38.679 39.000 0.023 0.000 1.103 465 F HN 0.512 nan 8.300 nan 0.000 0.569 466 E N 0.317 120.627 120.200 0.183 0.000 2.097 466 E HA -0.181 4.145 4.350 -0.039 0.000 0.196 466 E C 2.510 179.161 176.600 0.085 0.000 1.000 466 E CA 1.521 57.985 56.400 0.107 0.000 0.804 466 E CB -0.452 29.295 29.700 0.079 0.000 0.740 466 E HN 0.343 nan 8.360 nan 0.000 0.454 467 G N -0.154 108.704 108.800 0.096 0.000 2.572 467 G HA2 -0.034 3.902 3.960 -0.039 0.000 0.216 467 G HA3 -0.034 3.902 3.960 -0.039 0.000 0.216 467 G C 0.366 175.289 174.900 0.038 0.000 1.133 467 G CA 0.099 45.242 45.100 0.072 0.000 0.791 467 G HN 0.100 nan 8.290 nan 0.000 0.538 468 V N 2.189 122.149 119.914 0.076 0.000 2.439 468 V HA 0.263 4.359 4.120 -0.039 0.000 0.271 468 V C 0.022 176.075 176.094 -0.068 0.000 1.040 468 V CA -0.142 62.192 62.300 0.057 0.000 1.002 468 V CB 0.902 32.821 31.823 0.160 0.000 1.000 468 V HN 0.126 nan 8.190 nan 0.000 0.477 469 K N 5.076 125.385 120.400 -0.152 0.000 2.313 469 K HA 0.750 5.047 4.320 -0.039 0.000 0.235 469 K C -1.033 175.488 176.600 -0.133 0.000 1.035 469 K CA -0.837 55.285 56.287 -0.274 0.000 0.868 469 K CB 2.671 34.712 32.500 -0.765 0.000 1.232 469 K HN 0.397 nan 8.250 nan 0.000 0.459 470 L N 1.206 122.370 121.223 -0.099 0.000 2.409 470 L HA 0.265 4.582 4.340 -0.039 0.000 0.272 470 L C 0.279 177.132 176.870 -0.029 0.000 0.980 470 L CA -0.953 53.850 54.840 -0.061 0.000 0.826 470 L CB 2.156 44.184 42.059 -0.053 0.000 1.268 470 L HN 0.773 nan 8.230 nan 0.000 0.407 471 T N -2.616 111.889 114.554 -0.082 0.000 2.926 471 T HA 0.054 4.380 4.350 -0.039 0.000 0.307 471 T C 0.861 175.520 174.700 -0.069 0.000 1.059 471 T CA -0.168 61.879 62.100 -0.089 0.000 1.122 471 T CB 1.043 69.758 68.868 -0.254 0.000 0.972 471 T HN 0.749 nan 8.240 nan 0.000 0.545 472 D N 1.232 121.610 120.400 -0.038 0.000 2.219 472 D HA -0.167 4.449 4.640 -0.039 0.000 0.205 472 D C 1.423 177.686 176.300 -0.063 0.000 0.970 472 D CA 1.147 55.124 54.000 -0.038 0.000 0.851 472 D CB -0.141 40.648 40.800 -0.019 0.000 0.943 472 D HN 0.755 nan 8.370 nan 0.000 0.488 473 D N -0.513 119.839 120.400 -0.080 0.000 2.289 473 D HA -0.039 4.577 4.640 -0.039 0.000 0.207 473 D C 1.548 177.779 176.300 -0.115 0.000 0.966 473 D CA 0.350 54.298 54.000 -0.087 0.000 0.868 473 D CB 0.151 40.904 40.800 -0.078 0.000 0.943 473 D HN 0.373 nan 8.370 nan 0.000 0.514 474 L N -0.502 120.638 121.223 -0.140 0.000 3.202 474 L HA 0.319 4.635 4.340 -0.039 0.000 0.166 474 L C 2.340 179.118 176.870 -0.154 0.000 1.204 474 L CA 0.909 55.652 54.840 -0.162 0.000 0.894 474 L CB -0.611 41.348 42.059 -0.168 0.000 1.719 474 L HN 0.025 nan 8.230 nan 0.000 0.562 475 G N 0.610 109.347 108.800 -0.106 0.000 2.597 475 G HA2 -0.371 3.566 3.960 -0.039 0.000 0.222 475 G HA3 -0.371 3.566 3.960 -0.039 0.000 0.222 475 G C 1.478 176.382 174.900 0.007 0.000 1.135 475 G CA 1.760 46.861 45.100 0.002 0.000 0.759 475 G HN 0.347 nan 8.290 nan 0.000 0.595 476 I N 1.716 122.249 120.570 -0.062 0.000 2.567 476 I HA -0.126 4.020 4.170 -0.039 0.000 0.257 476 I C 2.882 178.943 176.117 -0.094 0.000 1.184 476 I CA 1.302 62.568 61.300 -0.056 0.000 1.451 476 I CB -0.179 37.788 38.000 -0.054 0.000 1.089 476 I HN 0.399 nan 8.210 nan 0.000 0.441 477 R N -0.678 119.698 120.500 -0.206 0.000 2.249 477 R HA -0.214 4.102 4.340 -0.039 0.000 0.230 477 R C 1.530 177.638 176.300 -0.321 0.000 1.121 477 R CA 1.722 57.641 56.100 -0.302 0.000 0.997 477 R CB -1.157 28.879 30.300 -0.440 0.000 0.867 477 R HN 0.394 nan 8.270 nan 0.000 0.465 478 Y N 1.052 121.313 120.300 -0.064 0.000 2.529 478 Y HA 0.224 4.750 4.550 -0.040 0.000 0.290 478 Y C 0.691 176.558 175.900 -0.054 0.000 1.177 478 Y CA -0.462 57.600 58.100 -0.063 0.000 1.305 478 Y CB 0.290 38.689 38.460 -0.101 0.000 1.047 478 Y HN -0.045 nan 8.280 nan 0.000 0.522 479 I N 2.344 122.943 120.570 0.047 0.000 2.421 479 I HA -0.042 4.104 4.170 -0.039 0.000 0.291 479 I C -0.217 175.912 176.117 0.021 0.000 1.089 479 I CA -0.397 60.919 61.300 0.028 0.000 1.354 479 I CB 0.205 38.209 38.000 0.006 0.000 1.413 479 I HN 0.233 nan 8.210 nan 0.000 0.513 480 D N 5.345 125.766 120.400 0.034 0.000 2.429 480 D HA 0.084 4.701 4.640 -0.039 0.000 0.253 480 D C 0.288 176.604 176.300 0.027 0.000 1.294 480 D CA -0.141 53.878 54.000 0.031 0.000 1.063 480 D CB 0.356 41.179 40.800 0.038 0.000 1.096 480 D HN 0.585 nan 8.370 nan 0.000 0.516 481 D N 1.681 122.091 120.400 0.016 0.000 3.608 481 D HA -0.312 4.304 4.640 -0.039 0.000 0.152 481 D C -0.150 176.165 176.300 0.025 0.000 0.971 481 D CA 2.374 56.383 54.000 0.016 0.000 1.072 481 D CB -0.681 40.130 40.800 0.020 0.000 0.507 481 D HN 0.743 nan 8.370 nan 0.000 0.520 482 D N 0.627 121.045 120.400 0.031 0.000 4.046 482 D HA -0.140 4.477 4.640 -0.039 0.000 0.211 482 D C -0.103 176.238 176.300 0.069 0.000 1.021 482 D CA 0.580 54.608 54.000 0.046 0.000 1.578 482 D CB -0.973 39.856 40.800 0.048 0.000 1.240 482 D HN 0.343 nan 8.370 nan 0.000 0.552 483 I N 0.387 120.997 120.570 0.067 0.000 2.562 483 I HA 0.156 4.303 4.170 -0.039 0.000 0.301 483 I C 0.739 176.931 176.117 0.125 0.000 1.003 483 I CA -1.332 60.028 61.300 0.100 0.000 1.127 483 I CB 1.230 39.273 38.000 0.071 0.000 1.304 483 I HN 0.222 nan 8.210 nan 0.000 0.446 484 H N 7.504 126.638 119.070 0.107 0.000 2.964 484 H HA 0.067 4.599 4.556 -0.040 0.000 0.328 484 H C -1.505 173.879 175.328 0.094 0.000 1.030 484 H CA -0.746 55.388 56.048 0.142 0.000 1.445 484 H CB 1.443 31.371 29.762 0.276 0.000 1.449 484 H HN 0.279 nan 8.280 nan 0.000 0.581 485 P HA -0.162 nan 4.420 nan 0.000 0.221 485 P C 1.430 178.717 177.300 -0.022 0.000 1.145 485 P CA 0.963 63.989 63.100 -0.124 0.000 0.795 485 P CB 0.258 31.850 31.700 -0.180 0.000 0.775 486 R N 0.275 120.870 120.500 0.159 0.000 2.115 486 R HA -0.004 4.312 4.340 -0.039 0.000 0.226 486 R C 2.054 178.304 176.300 -0.084 0.000 1.100 486 R CA 1.113 57.294 56.100 0.135 0.000 0.980 486 R CB -1.378 29.193 30.300 0.451 0.000 0.875 486 R HN -0.019 nan 8.270 nan 0.000 0.445 487 V N 0.428 120.366 119.914 0.040 0.000 2.346 487 V HA -0.074 4.022 4.120 -0.039 0.000 0.244 487 V C 2.425 178.496 176.094 -0.039 0.000 1.037 487 V CA 1.818 64.089 62.300 -0.048 0.000 1.029 487 V CB -0.521 31.324 31.823 0.038 0.000 0.663 487 V HN 0.350 nan 8.190 nan 0.000 0.454 488 R N 0.018 120.517 120.500 -0.002 0.000 2.154 488 R HA -0.306 4.010 4.340 -0.039 0.000 0.248 488 R C 2.331 178.608 176.300 -0.038 0.000 1.155 488 R CA 2.443 58.534 56.100 -0.016 0.000 0.979 488 R CB -0.214 30.080 30.300 -0.010 0.000 0.869 488 R HN 0.692 nan 8.270 nan 0.000 0.452 489 Q N -0.653 119.109 119.800 -0.064 0.000 2.187 489 Q HA -0.086 4.230 4.340 -0.039 0.000 0.199 489 Q C 1.891 177.838 176.000 -0.089 0.000 0.957 489 Q CA 1.655 57.413 55.803 -0.074 0.000 0.857 489 Q CB -0.042 28.635 28.738 -0.102 0.000 0.929 489 Q HN 0.238 nan 8.270 nan 0.000 0.453 490 S N -0.320 115.293 115.700 -0.145 0.000 2.428 490 S HA -0.001 4.445 4.470 -0.039 0.000 0.230 490 S C 1.686 176.241 174.600 -0.074 0.000 1.014 490 S CA 0.639 58.768 58.200 -0.117 0.000 0.957 490 S CB -0.097 63.043 63.200 -0.100 0.000 0.784 490 S HN 0.531 nan 8.310 nan 0.000 0.499 491 L N 0.661 121.844 121.223 -0.068 0.000 2.446 491 L HA 0.282 4.598 4.340 -0.039 0.000 0.219 491 L C 0.244 177.068 176.870 -0.077 0.000 1.116 491 L CA -0.147 54.641 54.840 -0.086 0.000 0.844 491 L CB -0.175 41.850 42.059 -0.057 0.000 0.970 491 L HN 0.271 nan 8.230 nan 0.000 0.457 492 L N 0.611 121.829 121.223 -0.008 0.000 2.283 492 L HA 0.263 4.579 4.340 -0.039 0.000 0.287 492 L C -0.782 176.233 176.870 0.241 0.000 1.073 492 L CA 0.004 54.880 54.840 0.061 0.000 0.822 492 L CB -0.065 42.018 42.059 0.039 0.000 1.186 492 L HN -0.142 nan 8.230 nan 0.000 0.436 493 Y N 2.519 122.813 120.300 -0.009 0.000 2.360 493 Y HA 0.385 4.911 4.550 -0.040 0.000 0.337 493 Y C 0.732 176.628 175.900 -0.008 0.000 1.039 493 Y CA -1.351 56.752 58.100 0.004 0.000 1.109 493 Y CB 1.863 40.342 38.460 0.032 0.000 1.201 493 Y HN 0.702 nan 8.280 nan 0.000 0.458 494 S N 3.302 119.039 115.700 0.061 0.000 2.569 494 S HA 0.046 4.492 4.470 -0.039 0.000 0.274 494 S C 1.413 176.040 174.600 0.044 0.000 1.353 494 S CA -0.249 57.957 58.200 0.010 0.000 1.023 494 S CB 0.723 63.897 63.200 -0.045 0.000 0.876 494 S HN 0.862 nan 8.310 nan 0.000 0.540 495 R N 0.659 121.187 120.500 0.047 0.000 2.115 495 R HA -0.066 4.250 4.340 -0.039 0.000 0.230 495 R C 2.287 178.713 176.300 0.210 0.000 1.111 495 R CA 1.533 57.707 56.100 0.122 0.000 0.976 495 R CB -0.261 30.079 30.300 0.066 0.000 0.870 495 R HN 0.928 nan 8.270 nan 0.000 0.445 496 E N 0.356 120.612 120.200 0.093 0.000 2.051 496 E HA -0.203 4.123 4.350 -0.039 0.000 0.189 496 E C 1.781 178.364 176.600 -0.029 0.000 0.979 496 E CA 0.981 57.426 56.400 0.076 0.000 0.803 496 E CB 0.051 29.759 29.700 0.014 0.000 0.761 496 E HN 0.423 nan 8.360 nan 0.000 0.451 497 Q N -0.239 119.471 119.800 -0.150 0.000 2.133 497 Q HA -0.179 4.138 4.340 -0.039 0.000 0.208 497 Q C 2.075 177.892 176.000 -0.305 0.000 0.991 497 Q CA 1.726 57.302 55.803 -0.377 0.000 0.867 497 Q CB -0.295 28.072 28.738 -0.619 0.000 0.911 497 Q HN 0.402 nan 8.270 nan 0.000 0.417 498 G N -0.116 108.686 108.800 0.004 0.000 2.395 498 G HA2 -0.238 3.698 3.960 -0.039 0.000 0.214 498 G HA3 -0.238 3.698 3.960 -0.039 0.000 0.214 498 G C 0.977 176.120 174.900 0.406 0.000 1.177 498 G CA 0.234 45.554 45.100 0.367 0.000 0.794 498 G HN 0.524 nan 8.290 nan 0.000 0.532 499 W N 1.861 123.256 121.300 0.159 0.000 2.374 499 W HA -0.139 4.498 4.660 -0.037 0.000 0.288 499 W C 1.832 178.300 176.519 -0.086 0.000 1.218 499 W CA 1.136 58.386 57.345 -0.160 0.000 1.245 499 W CB -0.046 29.302 29.460 -0.187 0.000 1.126 499 W HN 0.195 nan 8.180 nan 0.000 0.545 500 N N 0.492 119.058 118.700 -0.224 0.000 2.069 500 N HA -0.230 4.486 4.740 -0.039 0.000 0.191 500 N C 1.963 177.386 175.510 -0.144 0.000 1.031 500 N CA 2.041 54.841 53.050 -0.417 0.000 0.852 500 N CB -0.898 37.063 38.487 -0.878 0.000 1.018 500 N HN 0.114 nan 8.380 nan 0.000 0.423 501 R N 0.559 121.072 120.500 0.021 0.000 2.062 501 R HA -0.009 4.307 4.340 -0.039 0.000 0.231 501 R C 1.813 178.180 176.300 0.110 0.000 1.136 501 R CA 0.961 57.230 56.100 0.282 0.000 0.948 501 R CB -0.288 30.245 30.300 0.389 0.000 0.845 501 R HN 0.177 nan 8.270 nan 0.000 0.430 502 I N 0.968 121.510 120.570 -0.046 0.000 2.248 502 I HA -0.333 3.813 4.170 -0.039 0.000 0.248 502 I C 2.465 178.365 176.117 -0.361 0.000 1.107 502 I CA 1.404 62.599 61.300 -0.174 0.000 1.373 502 I CB -0.728 37.140 38.000 -0.220 0.000 1.055 502 I HN 0.359 nan 8.210 nan 0.000 0.418 503 M N 0.019 119.302 119.600 -0.529 0.000 2.064 503 M HA -0.278 4.179 4.480 -0.039 0.000 0.260 503 M C 2.567 178.838 176.300 -0.047 0.000 1.073 503 M CA 1.807 56.886 55.300 -0.370 0.000 1.124 503 M CB -0.566 31.698 32.600 -0.561 0.000 1.326 503 M HN 0.190 nan 8.290 nan 0.000 0.410 504 Y N 0.206 120.468 120.300 -0.063 0.000 2.165 504 Y HA -0.305 4.223 4.550 -0.036 0.000 0.286 504 Y C 2.143 178.035 175.900 -0.013 0.000 1.155 504 Y CA 1.876 59.962 58.100 -0.023 0.000 1.164 504 Y CB -0.955 37.524 38.460 0.031 0.000 0.978 504 Y HN 0.376 nan 8.280 nan 0.000 0.513 505 C N 0.391 119.554 119.300 -0.229 0.000 2.473 505 C HA -0.129 4.307 4.460 -0.039 0.000 0.279 505 C C 2.840 177.693 174.990 -0.227 0.000 1.250 505 C CA 1.273 60.115 59.018 -0.292 0.000 1.713 505 C CB -1.392 26.337 27.740 -0.018 0.000 2.066 505 C HN 0.670 nan 8.230 nan 0.000 0.474 506 L N -0.710 120.325 121.223 -0.313 0.000 2.042 506 L HA -0.166 4.151 4.340 -0.039 0.000 0.210 506 L C 2.205 178.885 176.870 -0.317 0.000 1.076 506 L CA 1.919 56.474 54.840 -0.476 0.000 0.749 506 L CB -0.548 40.903 42.059 -1.014 0.000 0.893 506 L HN 0.382 nan 8.230 nan 0.000 0.432 507 F N -1.628 118.357 119.950 0.058 0.000 2.419 507 F HA 0.082 4.584 4.527 -0.041 0.000 0.283 507 F C 2.249 178.144 175.800 0.157 0.000 1.044 507 F CA 0.225 58.361 58.000 0.227 0.000 1.376 507 F CB 0.155 39.285 39.000 0.216 0.000 1.131 507 F HN -0.194 nan 8.300 nan 0.000 0.585 508 I N -0.054 120.505 120.570 -0.018 0.000 2.867 508 I HA -0.132 4.014 4.170 -0.039 0.000 0.265 508 I C 2.008 178.060 176.117 -0.110 0.000 1.162 508 I CA 0.558 61.744 61.300 -0.191 0.000 1.471 508 I CB -0.181 37.584 38.000 -0.392 0.000 1.123 508 I HN 0.180 nan 8.210 nan 0.000 0.440 509 N N 0.151 118.657 118.700 -0.324 0.000 2.336 509 N HA -0.140 4.576 4.740 -0.039 0.000 0.177 509 N C 1.674 177.149 175.510 -0.058 0.000 1.018 509 N CA 1.422 54.309 53.050 -0.273 0.000 0.878 509 N CB 0.191 38.285 38.487 -0.655 0.000 0.997 509 N HN 0.432 nan 8.380 nan 0.000 0.433 510 H N -0.802 118.213 119.070 -0.092 0.000 2.332 510 H HA 0.265 4.797 4.556 -0.039 0.000 0.316 510 H C 1.918 177.250 175.328 0.007 0.000 1.069 510 H CA 0.494 56.525 56.048 -0.029 0.000 1.484 510 H CB 0.226 29.961 29.762 -0.044 0.000 1.496 510 H HN -0.027 nan 8.280 nan 0.000 0.623 511 L N 0.659 122.051 121.223 0.281 0.000 2.109 511 L HA -0.108 4.208 4.340 -0.039 0.000 0.207 511 L C 2.749 179.716 176.870 0.160 0.000 1.086 511 L CA 1.074 56.050 54.840 0.227 0.000 0.760 511 L CB -0.406 41.851 42.059 0.330 0.000 0.910 511 L HN 0.371 nan 8.230 nan 0.000 0.437 512 S N -0.369 115.582 115.700 0.420 0.000 2.380 512 S HA -0.258 4.189 4.470 -0.039 0.000 0.229 512 S C 1.853 176.539 174.600 0.143 0.000 1.043 512 S CA 1.464 59.950 58.200 0.477 0.000 1.038 512 S CB -0.465 63.127 63.200 0.655 0.000 0.872 512 S HN 0.433 nan 8.310 nan 0.000 0.456 513 E N 1.207 121.460 120.200 0.089 0.000 2.047 513 E HA -0.070 4.256 4.350 -0.039 0.000 0.191 513 E C 2.446 178.954 176.600 -0.154 0.000 0.987 513 E CA 1.590 57.987 56.400 -0.004 0.000 0.799 513 E CB -0.994 28.715 29.700 0.016 0.000 0.752 513 E HN 0.674 nan 8.360 nan 0.000 0.449 514 T N 2.208 116.542 114.554 -0.365 0.000 2.624 514 T HA -0.201 4.126 4.350 -0.039 0.000 0.268 514 T C 2.152 176.714 174.700 -0.231 0.000 1.041 514 T CA 1.502 63.156 62.100 -0.743 0.000 1.159 514 T CB -0.392 68.187 68.868 -0.483 0.000 0.863 514 T HN 0.080 nan 8.240 nan 0.000 0.434 515 I N 0.497 120.942 120.570 -0.209 0.000 2.045 515 I HA -0.162 3.984 4.170 -0.039 0.000 0.233 515 I C 2.359 178.375 176.117 -0.168 0.000 1.048 515 I CA 1.011 62.109 61.300 -0.337 0.000 1.313 515 I CB -0.577 37.031 38.000 -0.653 0.000 1.043 515 I HN 0.107 nan 8.210 nan 0.000 0.393 516 L N 0.879 122.036 121.223 -0.109 0.000 2.171 516 L HA -0.317 4.000 4.340 -0.039 0.000 0.216 516 L C 2.286 179.206 176.870 0.085 0.000 1.084 516 L CA 2.274 57.082 54.840 -0.054 0.000 0.771 516 L CB -0.654 41.318 42.059 -0.144 0.000 0.890 516 L HN 0.337 nan 8.230 nan 0.000 0.437 517 A N -1.321 121.540 122.820 0.068 0.000 1.878 517 A HA -0.007 4.290 4.320 -0.039 0.000 0.213 517 A C 2.162 179.793 177.584 0.077 0.000 1.192 517 A CA 1.297 53.415 52.037 0.136 0.000 0.619 517 A CB -0.599 18.534 19.000 0.221 0.000 0.837 517 A HN 0.428 nan 8.150 nan 0.000 0.446 518 L N 0.613 121.855 121.223 0.031 0.000 2.141 518 L HA -0.117 4.199 4.340 -0.039 0.000 0.209 518 L C 2.532 179.390 176.870 -0.019 0.000 1.094 518 L CA 1.551 56.380 54.840 -0.018 0.000 0.763 518 L CB -0.298 41.751 42.059 -0.017 0.000 0.908 518 L HN 0.573 nan 8.230 nan 0.000 0.437 519 S N -1.932 113.760 115.700 -0.014 0.000 2.575 519 S HA -0.026 4.420 4.470 -0.039 0.000 0.215 519 S C 0.948 175.577 174.600 0.049 0.000 0.966 519 S CA -0.363 57.831 58.200 -0.010 0.000 0.911 519 S CB -0.123 63.046 63.200 -0.053 0.000 0.780 519 S HN 0.303 nan 8.310 nan 0.000 0.514 520 Q N 1.465 121.318 119.800 0.088 0.000 2.286 520 Q HA 0.251 4.567 4.340 -0.039 0.000 0.290 520 Q C 1.328 177.296 176.000 -0.054 0.000 1.049 520 Q CA 1.521 57.323 55.803 -0.002 0.000 0.923 520 Q CB 0.198 28.843 28.738 -0.156 0.000 1.183 520 Q HN 0.691 nan 8.270 nan 0.000 0.383 521 G N 4.770 113.534 108.800 -0.060 0.000 2.304 521 G HA2 -0.242 3.694 3.960 -0.039 0.000 0.252 521 G HA3 -0.242 3.694 3.960 -0.039 0.000 0.252 521 G C 0.206 175.103 174.900 -0.004 0.000 1.014 521 G CA 0.397 45.477 45.100 -0.034 0.000 0.619 521 G HN 0.610 nan 8.290 nan 0.000 0.525 522 R N 0.187 120.689 120.500 0.005 0.000 2.718 522 R HA 0.259 4.576 4.340 -0.039 0.000 0.307 522 R C -1.914 174.390 176.300 0.008 0.000 1.244 522 R CA -0.745 55.359 56.100 0.007 0.000 1.348 522 R CB 1.025 31.326 30.300 0.002 0.000 1.304 522 R HN 0.339 nan 8.270 nan 0.000 0.663 523 P HA -0.241 nan 4.420 nan 0.000 0.219 523 P C 1.314 178.615 177.300 0.001 0.000 1.146 523 P CA 1.214 64.323 63.100 0.015 0.000 0.808 523 P CB 0.317 32.032 31.700 0.024 0.000 0.779 524 Q N 0.322 120.125 119.800 0.005 0.000 2.308 524 Q HA -0.154 4.163 4.340 -0.039 0.000 0.209 524 Q C 2.103 178.099 176.000 -0.005 0.000 0.985 524 Q CA 1.221 57.027 55.803 0.005 0.000 0.881 524 Q CB -1.468 27.277 28.738 0.011 0.000 0.917 524 Q HN 0.311 nan 8.270 nan 0.000 0.443 525 L N 0.508 121.719 121.223 -0.020 0.000 2.131 525 L HA -0.143 4.174 4.340 -0.039 0.000 0.210 525 L C 2.605 179.412 176.870 -0.104 0.000 1.092 525 L CA 0.863 55.672 54.840 -0.051 0.000 0.759 525 L CB -0.653 41.374 42.059 -0.054 0.000 0.903 525 L HN 0.325 nan 8.230 nan 0.000 0.435 526 A N 1.232 123.995 122.820 -0.095 0.000 1.859 526 A HA -0.236 4.060 4.320 -0.039 0.000 0.218 526 A C -0.090 177.480 177.584 -0.023 0.000 1.242 526 A CA 2.474 54.441 52.037 -0.118 0.000 0.661 526 A CB -2.240 16.756 19.000 -0.006 0.000 0.842 526 A HN 0.310 nan 8.150 nan 0.000 0.455 527 P HA -0.182 nan 4.420 nan 0.000 0.215 527 P C 1.773 179.149 177.300 0.126 0.000 1.157 527 P CA 1.318 64.523 63.100 0.175 0.000 0.874 527 P CB -0.302 31.456 31.700 0.096 0.000 0.790 528 L N -1.620 119.626 121.223 0.038 0.000 1.978 528 L HA -0.229 4.087 4.340 -0.039 0.000 0.218 528 L C 2.969 179.837 176.870 -0.004 0.000 1.075 528 L CA 1.972 56.824 54.840 0.020 0.000 0.767 528 L CB -0.780 41.279 42.059 0.000 0.000 0.890 528 L HN -0.054 nan 8.230 nan 0.000 0.434 529 M N -1.711 117.806 119.600 -0.138 0.000 2.073 529 M HA -0.295 4.162 4.480 -0.039 0.000 0.258 529 M C 2.124 178.353 176.300 -0.118 0.000 1.070 529 M CA 2.354 57.459 55.300 -0.324 0.000 1.103 529 M CB -0.572 31.489 32.600 -0.898 0.000 1.321 529 M HN 0.245 nan 8.290 nan 0.000 0.405 530 W N -0.191 121.105 121.300 -0.007 0.000 2.325 530 W HA -0.264 4.372 4.660 -0.040 0.000 0.299 530 W C 2.642 179.208 176.519 0.079 0.000 1.215 530 W CA 0.860 58.317 57.345 0.186 0.000 1.244 530 W CB -0.352 29.261 29.460 0.254 0.000 1.140 530 W HN 0.206 nan 8.180 nan 0.000 0.523 531 R N 1.065 121.702 120.500 0.229 0.000 2.081 531 R HA -0.096 4.221 4.340 -0.039 0.000 0.235 531 R C 2.040 178.323 176.300 -0.029 0.000 1.131 531 R CA 1.544 57.655 56.100 0.018 0.000 0.960 531 R CB -0.640 29.678 30.300 0.029 0.000 0.856 531 R HN 0.029 nan 8.270 nan 0.000 0.436 532 R N -0.278 120.259 120.500 0.062 0.000 2.152 532 R HA -0.049 4.267 4.340 -0.039 0.000 0.232 532 R C 2.095 178.472 176.300 0.129 0.000 1.117 532 R CA 1.264 57.421 56.100 0.096 0.000 0.981 532 R CB -0.283 30.113 30.300 0.161 0.000 0.870 532 R HN 0.133 nan 8.270 nan 0.000 0.451 533 V N 0.925 120.963 119.914 0.206 0.000 2.295 533 V HA -0.278 3.818 4.120 -0.039 0.000 0.246 533 V C 2.451 178.523 176.094 -0.037 0.000 1.049 533 V CA 1.786 64.239 62.300 0.254 0.000 1.024 533 V CB -0.462 31.729 31.823 0.613 0.000 0.648 533 V HN 0.380 nan 8.190 nan 0.000 0.447 534 Q N -0.947 118.599 119.800 -0.424 0.000 2.297 534 Q HA -0.224 4.092 4.340 -0.039 0.000 0.204 534 Q C 2.266 178.061 176.000 -0.341 0.000 0.962 534 Q CA 1.339 56.701 55.803 -0.735 0.000 0.879 534 Q CB 0.107 27.955 28.738 -1.485 0.000 0.947 534 Q HN 0.696 nan 8.270 nan 0.000 0.462 535 Q N -0.535 119.147 119.800 -0.197 0.000 2.020 535 Q HA -0.159 4.158 4.340 -0.039 0.000 0.198 535 Q C 2.190 178.154 176.000 -0.060 0.000 0.974 535 Q CA 1.167 56.907 55.803 -0.105 0.000 0.829 535 Q CB 0.124 28.828 28.738 -0.057 0.000 0.894 535 Q HN 0.270 nan 8.270 nan 0.000 0.433 536 Q N 0.380 120.165 119.800 -0.025 0.000 2.077 536 Q HA -0.181 4.136 4.340 -0.039 0.000 0.206 536 Q C 2.209 178.218 176.000 0.014 0.000 0.989 536 Q CA 1.276 57.081 55.803 0.003 0.000 0.853 536 Q CB -0.379 28.375 28.738 0.026 0.000 0.907 536 Q HN 0.445 nan 8.270 nan 0.000 0.418 537 L N -0.012 121.230 121.223 0.032 0.000 2.081 537 L HA -0.237 4.080 4.340 -0.039 0.000 0.212 537 L C 2.723 179.589 176.870 -0.006 0.000 1.080 537 L CA 1.373 56.250 54.840 0.061 0.000 0.754 537 L CB -0.433 41.682 42.059 0.093 0.000 0.893 537 L HN 0.228 nan 8.230 nan 0.000 0.433 538 R N -0.238 120.235 120.500 -0.045 0.000 2.062 538 R HA -0.081 4.236 4.340 -0.039 0.000 0.226 538 R C 2.426 178.698 176.300 -0.046 0.000 1.125 538 R CA 1.177 57.244 56.100 -0.056 0.000 0.966 538 R CB -0.189 30.069 30.300 -0.070 0.000 0.861 538 R HN 0.313 nan 8.270 nan 0.000 0.433 539 A N 1.168 123.966 122.820 -0.035 0.000 1.883 539 A HA -0.187 4.110 4.320 -0.039 0.000 0.217 539 A C 2.132 179.701 177.584 -0.025 0.000 1.186 539 A CA 1.404 53.425 52.037 -0.027 0.000 0.624 539 A CB -0.575 18.413 19.000 -0.019 0.000 0.822 539 A HN 0.327 nan 8.150 nan 0.000 0.444 540 I N -0.695 119.863 120.570 -0.020 0.000 2.208 540 I HA -0.337 3.809 4.170 -0.039 0.000 0.245 540 I C 2.804 178.894 176.117 -0.046 0.000 1.097 540 I CA 1.957 63.248 61.300 -0.016 0.000 1.363 540 I CB -0.237 37.769 38.000 0.010 0.000 1.051 540 I HN 0.589 nan 8.210 nan 0.000 0.413 541 Q N 0.800 120.555 119.800 -0.075 0.000 2.030 541 Q HA -0.210 4.107 4.340 -0.039 0.000 0.204 541 Q C 2.219 178.164 176.000 -0.092 0.000 0.986 541 Q CA 2.315 58.041 55.803 -0.129 0.000 0.843 541 Q CB -0.617 28.036 28.738 -0.141 0.000 0.904 541 Q HN 0.513 nan 8.270 nan 0.000 0.420 542 G N 0.098 108.860 108.800 -0.064 0.000 2.507 542 G HA2 -0.347 3.589 3.960 -0.039 0.000 0.221 542 G HA3 -0.347 3.589 3.960 -0.039 0.000 0.221 542 G C 1.237 176.115 174.900 -0.036 0.000 1.119 542 G CA 1.085 46.157 45.100 -0.046 0.000 0.751 542 G HN 0.557 nan 8.290 nan 0.000 0.574 543 E N -0.710 119.471 120.200 -0.032 0.000 2.170 543 E HA 0.133 4.460 4.350 -0.039 0.000 0.191 543 E C 0.940 177.532 176.600 -0.013 0.000 0.981 543 E CA -0.518 55.872 56.400 -0.016 0.000 0.830 543 E CB -0.082 29.614 29.700 -0.007 0.000 0.775 543 E HN 0.340 nan 8.360 nan 0.000 0.470 544 L N 1.273 122.479 121.223 -0.028 0.000 2.558 544 L HA -0.118 4.199 4.340 -0.039 0.000 0.301 544 L C 0.795 177.656 176.870 -0.015 0.000 1.267 544 L CA 1.019 55.847 54.840 -0.020 0.000 0.854 544 L CB 0.238 42.257 42.059 -0.068 0.000 1.103 544 L HN -0.027 nan 8.230 nan 0.000 0.522 545 K N 1.809 122.204 120.400 -0.008 0.000 2.726 545 K HA 0.248 4.545 4.320 -0.039 0.000 0.209 545 K C -0.733 175.853 176.600 -0.024 0.000 1.082 545 K CA -0.165 56.111 56.287 -0.019 0.000 1.081 545 K CB 0.514 33.002 32.500 -0.020 0.000 0.830 545 K HN 0.424 nan 8.250 nan 0.000 0.470 546 Q N 0.340 120.139 119.800 -0.002 0.000 2.522 546 Q HA 0.311 4.628 4.340 -0.039 0.000 0.285 546 Q C -2.774 173.250 176.000 0.041 0.000 0.982 546 Q CA -1.938 53.874 55.803 0.015 0.000 0.805 546 Q CB 1.735 30.490 28.738 0.028 0.000 1.457 546 Q HN 0.015 nan 8.270 nan 0.000 0.394 547 P HA 0.062 nan 4.420 nan 0.000 0.267 547 P C -0.350 177.028 177.300 0.131 0.000 1.201 547 P CA 0.144 63.268 63.100 0.041 0.000 0.775 547 P CB 0.420 32.135 31.700 0.025 0.000 0.854 548 S N -0.283 115.444 115.700 0.045 0.000 2.686 548 S HA 0.259 4.705 4.470 -0.039 0.000 0.223 548 S C -2.178 172.380 174.600 -0.071 0.000 0.885 548 S CA -0.850 57.364 58.200 0.023 0.000 1.115 548 S CB 0.336 63.230 63.200 -0.510 0.000 1.459 548 S HN 0.146 nan 8.310 nan 0.000 0.444 549 P HA -0.181 nan 4.420 nan 0.000 0.215 549 P C 1.154 178.347 177.300 -0.178 0.000 1.163 549 P CA 1.729 64.769 63.100 -0.101 0.000 0.894 549 P CB -0.013 31.640 31.700 -0.078 0.000 0.791 550 E N -1.181 118.854 120.200 -0.274 0.000 2.267 550 E HA -0.156 4.170 4.350 -0.039 0.000 0.197 550 E C 1.818 178.134 176.600 -0.474 0.000 0.998 550 E CA 0.590 56.673 56.400 -0.528 0.000 0.830 550 E CB -0.981 27.968 29.700 -1.252 0.000 0.751 550 E HN 0.143 nan 8.360 nan 0.000 0.491 551 L N 1.027 122.011 121.223 -0.398 0.000 2.023 551 L HA -0.126 4.190 4.340 -0.039 0.000 0.205 551 L C 1.269 178.089 176.870 -0.084 0.000 1.073 551 L CA 1.884 56.589 54.840 -0.225 0.000 0.745 551 L CB -0.490 41.277 42.059 -0.487 0.000 0.900 551 L HN -0.029 nan 8.230 nan 0.000 0.435 552 D N 0.007 120.329 120.400 -0.129 0.000 2.123 552 D HA -0.210 4.407 4.640 -0.039 0.000 0.196 552 D C 2.198 178.466 176.300 -0.053 0.000 0.992 552 D CA 1.568 55.521 54.000 -0.078 0.000 0.833 552 D CB -0.348 40.396 40.800 -0.092 0.000 0.954 552 D HN 0.463 nan 8.370 nan 0.000 0.455 553 A N 0.844 123.591 122.820 -0.120 0.000 1.869 553 A HA -0.219 4.077 4.320 -0.039 0.000 0.218 553 A C 2.278 179.883 177.584 0.035 0.000 1.203 553 A CA 1.515 53.418 52.037 -0.223 0.000 0.638 553 A CB -1.048 17.808 19.000 -0.239 0.000 0.831 553 A HN 0.232 nan 8.150 nan 0.000 0.450 554 L N -0.067 121.251 121.223 0.159 0.000 1.989 554 L HA -0.176 4.140 4.340 -0.039 0.000 0.211 554 L C 2.462 179.554 176.870 0.370 0.000 1.071 554 L CA 1.918 56.931 54.840 0.288 0.000 0.749 554 L CB -0.379 41.926 42.059 0.409 0.000 0.890 554 L HN 0.502 nan 8.230 nan 0.000 0.431 555 I N -0.474 120.261 120.570 0.274 0.000 2.151 555 I HA -0.332 3.814 4.170 -0.039 0.000 0.243 555 I C 2.088 178.371 176.117 0.277 0.000 1.080 555 I CA 1.358 62.796 61.300 0.230 0.000 1.339 555 I CB -0.772 37.260 38.000 0.054 0.000 1.039 555 I HN 0.312 nan 8.210 nan 0.000 0.409 556 A N 0.788 123.735 122.820 0.212 0.000 2.215 556 A HA 0.259 4.555 4.320 -0.039 0.000 0.208 556 A C 1.765 179.537 177.584 0.313 0.000 1.296 556 A CA 0.833 53.006 52.037 0.227 0.000 0.918 556 A CB -1.289 17.813 19.000 0.169 0.000 0.806 556 A HN 0.728 nan 8.150 nan 0.000 0.490 557 G N -1.369 107.650 108.800 0.366 0.000 2.162 557 G HA2 -0.285 3.652 3.960 -0.039 0.000 0.260 557 G HA3 -0.285 3.652 3.960 -0.039 0.000 0.260 557 G C 0.151 175.072 174.900 0.035 0.000 0.976 557 G CA 0.458 45.646 45.100 0.146 0.000 0.655 557 G HN 0.754 nan 8.290 nan 0.000 0.533 558 H N 2.113 121.192 119.070 0.014 0.000 2.948 558 H HA 0.337 4.869 4.556 -0.040 0.000 0.351 558 H C -1.474 173.835 175.328 -0.031 0.000 1.079 558 H CA 0.065 56.117 56.048 0.006 0.000 1.407 558 H CB 0.373 30.168 29.762 0.053 0.000 1.373 558 H HN 0.224 nan 8.280 nan 0.000 0.605 559 P HA -0.051 nan 4.420 nan 0.000 0.267 559 P C -0.643 176.687 177.300 0.050 0.000 1.201 559 P CA 0.075 63.177 63.100 0.004 0.000 0.775 559 P CB 0.690 32.390 31.700 -0.000 0.000 0.854 560 V N 1.999 121.924 119.914 0.017 0.000 2.398 560 V HA 0.431 4.527 4.120 -0.039 0.000 0.286 560 V C 0.738 176.817 176.094 -0.026 0.000 1.026 560 V CA -0.891 61.407 62.300 -0.003 0.000 0.868 560 V CB 1.135 32.931 31.823 -0.047 0.000 0.982 560 V HN 0.755 nan 8.190 nan 0.000 0.443 561 A N 3.619 126.447 122.820 0.014 0.000 2.498 561 A HA 0.404 4.701 4.320 -0.039 0.000 0.239 561 A C 0.078 177.742 177.584 0.133 0.000 1.068 561 A CA 0.087 52.186 52.037 0.103 0.000 0.766 561 A CB 0.133 19.195 19.000 0.102 0.000 1.003 561 A HN 1.124 nan 8.150 nan 0.000 0.497 562 C N 3.682 123.054 119.300 0.119 0.000 2.679 562 C HA 0.478 4.914 4.460 -0.039 0.000 0.354 562 C C 0.006 174.718 174.990 -0.464 0.000 1.067 562 C CA -0.866 58.120 59.018 -0.054 0.000 1.317 562 C CB -0.276 27.402 27.740 -0.104 0.000 1.843 562 C HN 1.029 nan 8.230 nan 0.000 0.459 563 K N 3.108 122.853 120.400 -1.092 0.000 2.485 563 K HA 0.221 4.517 4.320 -0.039 0.000 0.277 563 K C 0.521 176.649 176.600 -0.787 0.000 0.990 563 K CA 0.771 56.199 56.287 -1.432 0.000 0.994 563 K CB 0.580 31.896 32.500 -1.974 0.000 0.906 563 K HN 0.812 nan 8.250 nan 0.000 0.488 564 T N 1.558 115.750 114.554 -0.604 0.000 3.149 564 T HA 0.200 4.526 4.350 -0.039 0.000 0.373 564 T C 0.532 175.014 174.700 -0.365 0.000 1.364 564 T CA -1.017 60.828 62.100 -0.424 0.000 1.110 564 T CB 0.395 69.045 68.868 -0.364 0.000 1.127 564 T HN 0.492 nan 8.240 nan 0.000 0.576 565 N N 1.852 120.328 118.700 -0.373 0.000 2.018 565 N HA -0.122 4.594 4.740 -0.039 0.000 0.196 565 N C 1.701 176.991 175.510 -0.367 0.000 1.043 565 N CA 1.220 54.028 53.050 -0.405 0.000 0.856 565 N CB -0.510 37.634 38.487 -0.573 0.000 1.042 565 N HN 0.544 nan 8.380 nan 0.000 0.423 566 L N 1.351 122.381 121.223 -0.321 0.000 2.017 566 L HA -0.094 4.223 4.340 -0.039 0.000 0.208 566 L C 2.216 179.028 176.870 -0.097 0.000 1.073 566 L CA 1.821 56.547 54.840 -0.190 0.000 0.745 566 L CB -0.548 41.449 42.059 -0.102 0.000 0.894 566 L HN 0.079 nan 8.230 nan 0.000 0.432 567 K N -0.809 119.506 120.400 -0.142 0.000 2.063 567 K HA -0.171 4.125 4.320 -0.039 0.000 0.208 567 K C 1.842 178.418 176.600 -0.040 0.000 1.048 567 K CA 2.058 58.315 56.287 -0.051 0.000 0.928 567 K CB -0.209 32.178 32.500 -0.188 0.000 0.713 567 K HN 0.342 nan 8.250 nan 0.000 0.442 568 V N 1.874 121.728 119.914 -0.101 0.000 2.252 568 V HA -0.320 3.776 4.120 -0.039 0.000 0.249 568 V C 2.391 178.464 176.094 -0.034 0.000 1.056 568 V CA 2.129 64.387 62.300 -0.071 0.000 1.022 568 V CB -0.680 31.084 31.823 -0.098 0.000 0.641 568 V HN 0.375 nan 8.190 nan 0.000 0.445 569 R N -0.437 120.035 120.500 -0.047 0.000 2.120 569 R HA -0.064 4.253 4.340 -0.039 0.000 0.234 569 R C 2.190 178.497 176.300 0.013 0.000 1.123 569 R CA 1.046 57.137 56.100 -0.015 0.000 0.975 569 R CB -0.600 29.683 30.300 -0.028 0.000 0.866 569 R HN 0.362 nan 8.270 nan 0.000 0.446 570 L N 0.693 121.931 121.223 0.025 0.000 2.023 570 L HA 0.024 4.340 4.340 -0.039 0.000 0.205 570 L C 2.546 179.438 176.870 0.036 0.000 1.073 570 L CA 1.661 56.527 54.840 0.044 0.000 0.745 570 L CB -1.591 40.516 42.059 0.080 0.000 0.900 570 L HN 0.117 nan 8.230 nan 0.000 0.435 571 A N -0.365 122.476 122.820 0.035 0.000 2.093 571 A HA 0.076 4.372 4.320 -0.039 0.000 0.222 571 A C 1.191 178.788 177.584 0.021 0.000 1.162 571 A CA 1.532 53.585 52.037 0.026 0.000 0.655 571 A CB -0.562 18.447 19.000 0.016 0.000 0.805 571 A HN 0.810 nan 8.150 nan 0.000 0.461 577 Q N 1.543 121.393 119.800 0.083 0.000 2.426 577 Q HA -0.164 4.152 4.340 -0.039 0.000 0.359 577 Q C -0.170 175.875 176.000 0.074 0.000 1.381 577 Q CA 0.639 56.501 55.803 0.098 0.000 1.060 577 Q CB -1.256 27.531 28.738 0.083 0.000 1.253 577 Q HN 0.474 nan 8.270 nan 0.000 0.363 578 A N 1.160 124.010 122.820 0.049 0.000 2.455 578 A HA 0.304 4.601 4.320 -0.039 0.000 0.244 578 A C 0.679 178.266 177.584 0.004 0.000 1.099 578 A CA 0.335 52.358 52.037 -0.024 0.000 0.786 578 A CB 0.340 19.260 19.000 -0.133 0.000 1.051 578 A HN 0.678 nan 8.150 nan 0.000 0.508 579 S N -0.563 115.102 115.700 -0.058 0.000 2.528 579 S HA 0.469 4.915 4.470 -0.039 0.000 0.277 579 S C -0.836 173.700 174.600 -0.107 0.000 1.297 579 S CA -0.129 58.056 58.200 -0.024 0.000 1.052 579 S CB 0.081 63.254 63.200 -0.045 0.000 0.917 579 S HN 0.422 nan 8.310 nan 0.000 0.492 580 Y N 1.814 122.036 120.300 -0.130 0.000 2.328 580 Y HA 0.470 4.999 4.550 -0.035 0.000 0.337 580 Y C 0.622 176.449 175.900 -0.122 0.000 1.008 580 Y CA -0.905 57.106 58.100 -0.147 0.000 1.129 580 Y CB 1.493 39.881 38.460 -0.120 0.000 1.185 580 Y HN 0.737 nan 8.280 nan 0.000 0.476 581 V N 1.451 121.336 119.914 -0.048 0.000 3.109 581 V HA 0.627 4.723 4.120 -0.039 0.000 0.317 581 V C -0.268 175.816 176.094 -0.017 0.000 1.074 581 V CA -1.368 60.902 62.300 -0.050 0.000 1.033 581 V CB 1.456 33.204 31.823 -0.124 0.000 1.111 581 V HN 0.617 nan 8.190 nan 0.000 0.458 582 R N 1.861 122.348 120.500 -0.023 0.000 2.295 582 R HA 0.644 4.960 4.340 -0.039 0.000 0.324 582 R C -1.212 175.070 176.300 -0.031 0.000 0.968 582 R CA -0.427 55.665 56.100 -0.013 0.000 0.837 582 R CB 1.451 31.750 30.300 -0.001 0.000 1.133 582 R HN 0.691 nan 8.270 nan 0.000 0.450 583 L N 4.887 126.092 121.223 -0.029 0.000 2.329 583 L HA 0.455 4.771 4.340 -0.039 0.000 0.279 583 L C -2.016 174.876 176.870 0.037 0.000 1.014 583 L CA -2.404 52.438 54.840 0.004 0.000 0.814 583 L CB 2.218 44.285 42.059 0.013 0.000 1.257 583 L HN 0.233 nan 8.230 nan 0.000 0.424 584 P HA -0.040 nan 4.420 nan 0.000 0.266 584 P C -0.090 177.104 177.300 -0.175 0.000 1.195 584 P CA 0.095 63.144 63.100 -0.084 0.000 0.768 584 P CB 0.929 32.569 31.700 -0.100 0.000 0.838 585 S N 3.223 118.729 115.700 -0.323 0.000 2.569 585 S HA 0.095 4.541 4.470 -0.039 0.000 0.274 585 S C -1.576 172.461 174.600 -0.938 0.000 1.353 585 S CA -0.888 56.885 58.200 -0.712 0.000 1.023 585 S CB -0.529 62.189 63.200 -0.804 0.000 0.876 585 S HN 0.317 nan 8.310 nan 0.000 0.540 586 P HA 0.284 nan 4.420 nan 0.000 0.253 586 P C -0.987 176.020 177.300 -0.488 0.000 1.459 586 P CA 0.025 62.456 63.100 -1.115 0.000 0.908 586 P CB -0.496 30.089 31.700 -1.858 0.000 1.470 587 W N 0.000 121.111 121.300 -0.315 0.000 2.388 587 W HA 0.000 4.639 4.660 -0.036 0.000 0.303 587 W CA 0.000 57.244 57.345 -0.168 0.000 1.226 587 W CB 0.000 29.390 29.460 -0.117 0.000 1.126 587 W HN 0.000 nan 8.180 nan 0.000 0.535