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 1ei6_1_A DATA FIRST_RESID 2 DATA SEQUENCE TNLISVNSRS YRLSSAPTIV ICVDGCEQEY INQAIQAGQA PFLAELTGFG DATA SEQUENCE TVLTGDCVVP SFTNPNNLSI VTGAPPSVHG ICGNFFFDQE TQEEVLMNDA DATA SEQUENCE KYLRAPTILA EMAKAGQLVA VVTAKDKLRN LLGHQLKGIC FSAEKADQVN DATA SEQUENCE LEEHGVENIL ARVGMPVPSV YSADLSEFVF AAGLSLLTNE RPDFMYLSTT DATA SEQUENCE DYVQHKHAPG TPEANAFYAM MDSYFKRYHE QGAIVAITAD HGMNAKTDAI DATA SEQUENCE GRPNILFLQD LLDAQYGAQR TRVLLPITDP YVVHHGALGS YATVYLRDAV DATA SEQUENCE PQRDAIDFLA GIAGVEAVLT RSQACQRFEL PEDRIGDLVV LGERLTVLGS DATA SEQUENCE AADKHDLSGL TVPLRSHGGV SEQKVPLIFN RKLVGLDXXG RLRNFDIIDL DATA SEQUENCE ALNHLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.711 174.700 0.019 0.000 1.109 2 T CA 0.000 62.111 62.100 0.018 0.000 1.349 2 T CB 0.000 68.879 68.868 0.018 0.000 0.612 3 N N 2.331 121.045 118.700 0.024 0.000 2.518 3 N HA 0.572 5.312 4.740 -0.001 0.000 0.266 3 N C -0.800 174.730 175.510 0.033 0.000 1.196 3 N CA -0.390 52.675 53.050 0.025 0.000 0.947 3 N CB 0.564 39.065 38.487 0.022 0.000 1.098 3 N HN 0.535 nan 8.380 nan 0.000 0.450 4 L N 4.127 125.367 121.223 0.029 0.000 2.362 4 L HA 0.647 4.986 4.340 -0.001 0.000 0.271 4 L C -0.739 176.155 176.870 0.040 0.000 1.002 4 L CA -0.644 54.217 54.840 0.036 0.000 0.818 4 L CB 1.379 43.449 42.059 0.018 0.000 1.298 4 L HN 0.488 nan 8.230 nan 0.000 0.420 5 I N -0.137 120.474 120.570 0.068 0.000 3.074 5 I HA 0.830 4.999 4.170 -0.001 0.000 0.310 5 I C -1.155 175.020 176.117 0.097 0.000 1.153 5 I CA -0.594 60.750 61.300 0.073 0.000 0.993 5 I CB 2.429 40.470 38.000 0.068 0.000 1.237 5 I HN 0.589 nan 8.210 nan 0.000 0.443 6 S N 3.027 118.777 115.700 0.084 0.000 2.614 6 S HA 0.803 5.272 4.470 -0.001 0.000 0.288 6 S C -1.371 173.291 174.600 0.104 0.000 1.137 6 S CA -0.378 57.865 58.200 0.073 0.000 0.992 6 S CB 1.695 64.906 63.200 0.018 0.000 1.026 6 S HN 0.643 nan 8.310 nan 0.000 0.486 7 V N 4.629 124.644 119.914 0.169 0.000 2.686 7 V HA 0.543 4.662 4.120 -0.001 0.000 0.306 7 V C -0.230 175.950 176.094 0.143 0.000 1.065 7 V CA -1.002 61.390 62.300 0.153 0.000 0.894 7 V CB 1.630 33.562 31.823 0.181 0.000 1.004 7 V HN 1.029 nan 8.190 nan 0.000 0.424 8 N N 2.605 121.354 118.700 0.083 0.000 2.708 8 N HA -0.211 4.528 4.740 -0.001 0.000 0.249 8 N C 0.653 176.197 175.510 0.056 0.000 1.097 8 N CA 1.284 54.375 53.050 0.067 0.000 0.710 8 N CB -0.919 37.617 38.487 0.082 0.000 1.032 8 N HN 1.012 nan 8.380 nan 0.000 0.551 9 S N -2.641 113.081 115.700 0.037 0.000 3.244 9 S HA -0.223 4.247 4.470 -0.001 0.000 0.279 9 S C 0.158 174.743 174.600 -0.024 0.000 1.293 9 S CA 1.061 59.267 58.200 0.009 0.000 0.990 9 S CB -0.600 62.606 63.200 0.011 0.000 1.202 9 S HN 0.609 nan 8.310 nan 0.000 0.666 10 R N 0.558 121.030 120.500 -0.046 0.000 2.686 10 R HA 0.678 5.017 4.340 -0.001 0.000 0.286 10 R C -0.465 175.606 176.300 -0.381 0.000 0.969 10 R CA -0.384 55.572 56.100 -0.241 0.000 0.898 10 R CB 1.820 31.918 30.300 -0.337 0.000 1.183 10 R HN 0.120 nan 8.270 nan 0.000 0.456 11 S N 1.404 116.838 115.700 -0.444 0.000 2.578 11 S HA 0.570 5.039 4.470 -0.001 0.000 0.283 11 S C -1.455 172.835 174.600 -0.516 0.000 1.195 11 S CA -0.331 57.680 58.200 -0.316 0.000 1.050 11 S CB 0.436 63.543 63.200 -0.155 0.000 1.012 11 S HN 0.404 nan 8.310 nan 0.000 0.511 12 Y N 1.301 121.610 120.300 0.015 0.000 2.441 12 Y HA 0.411 4.961 4.550 -0.001 0.000 0.334 12 Y C 0.182 176.090 175.900 0.014 0.000 1.061 12 Y CA -0.906 57.207 58.100 0.021 0.000 1.032 12 Y CB 1.254 39.724 38.460 0.016 0.000 1.266 12 Y HN 0.456 nan 8.280 nan 0.000 0.441 13 R N 3.646 124.252 120.500 0.178 0.000 2.265 13 R HA 0.410 4.750 4.340 -0.001 0.000 0.314 13 R C -0.649 175.723 176.300 0.119 0.000 1.053 13 R CA -0.431 55.734 56.100 0.108 0.000 0.931 13 R CB 0.555 30.898 30.300 0.072 0.000 1.024 13 R HN 0.720 nan 8.270 nan 0.000 0.457 14 L N 3.102 124.377 121.223 0.087 0.000 2.485 14 L HA -0.000 4.339 4.340 -0.001 0.000 0.275 14 L C 0.983 177.909 176.870 0.094 0.000 1.207 14 L CA 0.163 55.051 54.840 0.080 0.000 0.855 14 L CB 0.594 42.685 42.059 0.053 0.000 1.114 14 L HN 0.744 nan 8.230 nan 0.000 0.485 15 S N 1.095 116.869 115.700 0.124 0.000 2.558 15 S HA 0.048 4.517 4.470 -0.001 0.000 0.288 15 S C 0.854 175.503 174.600 0.082 0.000 1.318 15 S CA -0.432 57.841 58.200 0.122 0.000 1.056 15 S CB 1.132 64.428 63.200 0.160 0.000 0.853 15 S HN 0.643 nan 8.310 nan 0.000 0.505 16 S N 1.809 117.549 115.700 0.066 0.000 2.492 16 S HA 0.488 4.957 4.470 -0.001 0.000 0.218 16 S C 0.628 175.251 174.600 0.038 0.000 1.016 16 S CA 0.061 58.289 58.200 0.046 0.000 0.916 16 S CB 0.032 63.255 63.200 0.038 0.000 0.791 16 S HN 1.146 nan 8.310 nan 0.000 0.513 17 A N 2.209 125.053 122.820 0.041 0.000 2.413 17 A HA 0.743 5.062 4.320 -0.001 0.000 0.307 17 A C -3.122 174.477 177.584 0.025 0.000 1.087 17 A CA -2.253 49.800 52.037 0.027 0.000 0.750 17 A CB 0.702 19.715 19.000 0.021 0.000 1.296 17 A HN -0.008 nan 8.150 nan 0.000 0.423 18 P HA 0.189 nan 4.420 nan 0.000 0.263 18 P C -0.350 176.914 177.300 -0.060 0.000 1.195 18 P CA 0.642 63.728 63.100 -0.023 0.000 0.762 18 P CB 0.397 32.072 31.700 -0.040 0.000 0.799 19 T N 4.528 119.013 114.554 -0.115 0.000 2.823 19 T HA 0.608 4.958 4.350 -0.001 0.000 0.279 19 T C 0.163 174.604 174.700 -0.432 0.000 0.998 19 T CA -0.326 61.653 62.100 -0.201 0.000 0.994 19 T CB 0.612 69.403 68.868 -0.127 0.000 0.960 19 T HN 0.201 nan 8.240 nan 0.000 0.448 20 I N 2.718 123.081 120.570 -0.345 0.000 2.439 20 I HA 0.407 4.576 4.170 -0.001 0.000 0.285 20 I C -0.656 175.276 176.117 -0.307 0.000 1.021 20 I CA -0.973 60.089 61.300 -0.397 0.000 1.091 20 I CB 1.900 39.682 38.000 -0.363 0.000 1.242 20 I HN 0.243 nan 8.210 nan 0.000 0.439 21 V N 7.666 127.381 119.914 -0.332 0.000 2.370 21 V HA 0.461 4.580 4.120 -0.001 0.000 0.279 21 V C -0.070 175.933 176.094 -0.152 0.000 1.029 21 V CA -0.328 61.900 62.300 -0.120 0.000 0.870 21 V CB 1.700 33.589 31.823 0.110 0.000 0.984 21 V HN 0.456 nan 8.190 nan 0.000 0.451 22 I N 4.870 125.349 120.570 -0.150 0.000 2.406 22 I HA 0.394 4.563 4.170 -0.001 0.000 0.290 22 I C -0.233 175.789 176.117 -0.158 0.000 0.999 22 I CA -0.194 60.994 61.300 -0.188 0.000 1.124 22 I CB 1.698 39.714 38.000 0.025 0.000 1.289 22 I HN 0.605 nan 8.210 nan 0.000 0.441 23 C N 7.676 126.819 119.300 -0.262 0.000 2.239 23 C HA 0.550 5.009 4.460 -0.001 0.000 0.323 23 C C 0.153 175.093 174.990 -0.083 0.000 1.205 23 C CA -0.439 58.504 59.018 -0.126 0.000 1.584 23 C CB -0.373 27.310 27.740 -0.095 0.000 2.201 23 C HN 0.564 nan 8.230 nan 0.000 0.475 24 V N 7.287 127.197 119.914 -0.007 0.000 2.299 24 V HA 0.161 4.280 4.120 -0.001 0.000 0.255 24 V C 0.639 176.720 176.094 -0.022 0.000 1.100 24 V CA 0.020 62.347 62.300 0.045 0.000 0.938 24 V CB 0.202 32.098 31.823 0.121 0.000 1.139 24 V HN 0.859 nan 8.190 nan 0.000 0.490 25 D N 4.285 124.654 120.400 -0.052 0.000 2.583 25 D HA 0.048 4.688 4.640 -0.001 0.000 0.232 25 D C 1.361 177.543 176.300 -0.197 0.000 1.128 25 D CA 1.778 55.683 54.000 -0.159 0.000 0.859 25 D CB 1.053 41.837 40.800 -0.026 0.000 1.169 25 D HN 0.922 nan 8.370 nan 0.000 0.481 26 G N 3.336 111.816 108.800 -0.533 0.000 2.187 26 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.261 26 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.261 26 G C 0.905 175.786 174.900 -0.032 0.000 1.000 26 G CA 0.335 45.284 45.100 -0.252 0.000 0.718 26 G HN 0.732 nan 8.290 nan 0.000 0.519 27 C N 1.515 120.801 119.300 -0.024 0.000 3.031 27 C HA 0.463 4.922 4.460 -0.001 0.000 0.489 27 C C 1.251 176.368 174.990 0.212 0.000 1.020 27 C CA -0.629 58.475 59.018 0.144 0.000 1.104 27 C CB -1.820 26.026 27.740 0.175 0.000 1.470 27 C HN 0.583 nan 8.230 nan 0.000 0.583 28 E N 1.645 122.048 120.200 0.337 0.000 2.452 28 E HA -0.038 4.312 4.350 -0.001 0.000 0.261 28 E C 1.165 177.896 176.600 0.218 0.000 0.987 28 E CA 0.705 57.262 56.400 0.260 0.000 0.926 28 E CB 0.567 30.415 29.700 0.246 0.000 0.934 28 E HN 0.732 nan 8.360 nan 0.000 0.452 29 Q N 2.552 122.414 119.800 0.105 0.000 2.197 29 Q HA -0.214 4.125 4.340 -0.001 0.000 0.207 29 Q C 1.169 177.181 176.000 0.021 0.000 0.984 29 Q CA 1.386 57.228 55.803 0.065 0.000 0.869 29 Q CB 0.027 28.784 28.738 0.030 0.000 0.906 29 Q HN 0.564 nan 8.270 nan 0.000 0.426 30 E N -0.196 119.982 120.200 -0.037 0.000 2.265 30 E HA -0.152 4.197 4.350 -0.001 0.000 0.196 30 E C 1.401 177.887 176.600 -0.190 0.000 0.996 30 E CA 0.950 57.276 56.400 -0.124 0.000 0.832 30 E CB -0.054 29.543 29.700 -0.171 0.000 0.756 30 E HN 0.527 nan 8.360 nan 0.000 0.491 31 Y N -0.024 120.164 120.300 -0.187 0.000 2.242 31 Y HA -0.102 4.446 4.550 -0.002 0.000 0.291 31 Y C 2.292 177.894 175.900 -0.496 0.000 1.137 31 Y CA 0.918 58.758 58.100 -0.434 0.000 1.181 31 Y CB -0.078 37.956 38.460 -0.710 0.000 0.989 31 Y HN 0.016 nan 8.280 nan 0.000 0.527 32 I N -0.397 120.104 120.570 -0.113 0.000 2.286 32 I HA -0.277 3.893 4.170 -0.001 0.000 0.245 32 I C 2.220 178.319 176.117 -0.031 0.000 1.104 32 I CA 1.311 62.593 61.300 -0.031 0.000 1.397 32 I CB -0.420 37.632 38.000 0.086 0.000 1.072 32 I HN 0.217 nan 8.210 nan 0.000 0.417 33 N N 0.843 119.517 118.700 -0.043 0.000 2.043 33 N HA -0.227 4.513 4.740 -0.001 0.000 0.193 33 N C 1.918 177.399 175.510 -0.049 0.000 1.037 33 N CA 1.637 54.661 53.050 -0.043 0.000 0.851 33 N CB -0.053 38.405 38.487 -0.048 0.000 1.027 33 N HN 0.189 nan 8.380 nan 0.000 0.422 34 Q N -0.022 119.733 119.800 -0.074 0.000 2.124 34 Q HA 0.033 4.372 4.340 -0.001 0.000 0.202 34 Q C 2.058 178.037 176.000 -0.036 0.000 0.977 34 Q CA 1.409 57.174 55.803 -0.064 0.000 0.850 34 Q CB -0.756 27.926 28.738 -0.094 0.000 0.901 34 Q HN 0.528 nan 8.270 nan 0.000 0.429 35 A N 0.468 123.267 122.820 -0.035 0.000 1.972 35 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 35 A C 2.164 179.764 177.584 0.027 0.000 1.169 35 A CA 0.915 52.964 52.037 0.019 0.000 0.635 35 A CB -0.523 18.517 19.000 0.066 0.000 0.810 35 A HN 0.297 nan 8.150 nan 0.000 0.446 36 I N -0.931 119.647 120.570 0.012 0.000 2.233 36 I HA -0.204 3.966 4.170 -0.001 0.000 0.243 36 I C 2.505 178.620 176.117 -0.004 0.000 1.093 36 I CA 0.919 62.223 61.300 0.007 0.000 1.380 36 I CB -0.237 37.759 38.000 -0.007 0.000 1.067 36 I HN 0.248 nan 8.210 nan 0.000 0.413 37 Q N 0.445 120.238 119.800 -0.012 0.000 2.297 37 Q HA -0.132 4.208 4.340 -0.001 0.000 0.208 37 Q C 2.038 178.033 176.000 -0.008 0.000 0.981 37 Q CA 1.575 57.369 55.803 -0.015 0.000 0.876 37 Q CB -0.320 28.405 28.738 -0.022 0.000 0.921 37 Q HN 0.557 nan 8.270 nan 0.000 0.446 38 A N -1.245 121.574 122.820 -0.001 0.000 2.275 38 A HA 0.407 4.726 4.320 -0.001 0.000 0.212 38 A C 1.462 179.051 177.584 0.010 0.000 1.201 38 A CA 0.893 52.933 52.037 0.005 0.000 0.843 38 A CB 0.118 19.124 19.000 0.010 0.000 0.873 38 A HN 0.368 nan 8.150 nan 0.000 0.492 39 G N -1.043 107.763 108.800 0.010 0.000 2.176 39 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.253 39 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.253 39 G C 0.720 175.632 174.900 0.019 0.000 0.979 39 G CA 0.486 45.593 45.100 0.011 0.000 0.641 39 G HN 0.428 nan 8.290 nan 0.000 0.530 40 Q N -0.500 119.317 119.800 0.030 0.000 2.403 40 Q HA 0.502 4.842 4.340 -0.001 0.000 0.203 40 Q C 1.345 177.378 176.000 0.054 0.000 0.932 40 Q CA 1.042 56.869 55.803 0.041 0.000 0.945 40 Q CB 0.724 29.497 28.738 0.057 0.000 1.045 40 Q HN 1.294 nan 8.270 nan 0.000 0.511 41 A N 1.409 124.264 122.820 0.058 0.000 3.410 41 A HA 0.348 4.667 4.320 -0.001 0.000 0.276 41 A C -1.962 175.666 177.584 0.074 0.000 0.995 41 A CA -0.928 51.161 52.037 0.087 0.000 0.934 41 A CB 0.604 19.679 19.000 0.125 0.000 1.191 41 A HN -0.091 nan 8.150 nan 0.000 0.511 42 P HA -0.204 nan 4.420 nan 0.000 0.216 42 P C 1.392 178.738 177.300 0.077 0.000 1.150 42 P CA 1.039 64.172 63.100 0.056 0.000 0.837 42 P CB -0.014 31.721 31.700 0.058 0.000 0.786 43 F N 0.660 120.619 119.950 0.015 0.000 2.084 43 F HA -0.088 4.438 4.527 -0.001 0.000 0.296 43 F C 2.215 178.025 175.800 0.017 0.000 1.111 43 F CA 1.334 59.356 58.000 0.037 0.000 1.224 43 F CB -0.985 38.047 39.000 0.055 0.000 0.991 43 F HN -0.306 nan 8.300 nan 0.000 0.471 44 L N 0.018 121.239 121.223 -0.004 0.000 2.201 44 L HA -0.160 4.179 4.340 -0.001 0.000 0.212 44 L C 2.720 179.459 176.870 -0.218 0.000 1.105 44 L CA 0.954 55.714 54.840 -0.133 0.000 0.775 44 L CB -1.100 41.017 42.059 0.097 0.000 0.913 44 L HN 0.297 nan 8.230 nan 0.000 0.440 45 A N 0.809 123.550 122.820 -0.132 0.000 1.972 45 A HA -0.215 4.104 4.320 -0.001 0.000 0.219 45 A C 1.993 179.460 177.584 -0.195 0.000 1.169 45 A CA 1.901 53.865 52.037 -0.121 0.000 0.635 45 A CB -0.349 18.618 19.000 -0.055 0.000 0.810 45 A HN 0.674 nan 8.150 nan 0.000 0.446 46 E N -0.616 119.409 120.200 -0.292 0.000 2.526 46 E HA 0.224 4.574 4.350 -0.001 0.000 0.208 46 E C 1.511 177.713 176.600 -0.663 0.000 0.997 46 E CA 0.097 56.301 56.400 -0.326 0.000 0.961 46 E CB -0.342 29.253 29.700 -0.175 0.000 1.030 46 E HN 0.481 nan 8.360 nan 0.000 0.483 47 L N 1.261 121.939 121.223 -0.908 0.000 2.191 47 L HA -0.138 4.201 4.340 -0.001 0.000 0.212 47 L C 2.494 178.757 176.870 -1.011 0.000 1.103 47 L CA 1.883 55.875 54.840 -1.413 0.000 0.769 47 L CB -0.396 41.088 42.059 -0.959 0.000 0.908 47 L HN 0.275 nan 8.230 nan 0.000 0.438 48 T N -0.881 113.342 114.554 -0.553 0.000 2.737 48 T HA -0.182 4.168 4.350 -0.001 0.000 0.269 48 T C 1.730 176.260 174.700 -0.283 0.000 1.040 48 T CA 1.594 63.499 62.100 -0.325 0.000 1.142 48 T CB -0.647 68.098 68.868 -0.205 0.000 0.861 48 T HN 0.616 nan 8.240 nan 0.000 0.456 49 G N -0.355 108.253 108.800 -0.319 0.000 2.559 49 G HA2 0.056 4.015 3.960 -0.001 0.000 0.216 49 G HA3 0.056 4.015 3.960 -0.001 0.000 0.216 49 G C 1.056 175.951 174.900 -0.007 0.000 1.126 49 G CA 0.913 45.931 45.100 -0.136 0.000 0.778 49 G HN 0.762 nan 8.290 nan 0.000 0.543 50 F N -2.420 117.507 119.950 -0.038 0.000 2.925 50 F HA 0.511 5.037 4.527 -0.001 0.000 0.359 50 F C 0.930 176.746 175.800 0.026 0.000 1.038 50 F CA -0.320 57.682 58.000 0.004 0.000 1.130 50 F CB 0.227 39.243 39.000 0.027 0.000 1.093 50 F HN 0.067 nan 8.300 nan 0.000 0.561 51 G N 0.633 109.382 108.800 -0.086 0.000 2.971 51 G HA2 0.599 4.558 3.960 -0.001 0.000 0.235 51 G HA3 0.599 4.558 3.960 -0.001 0.000 0.235 51 G C -1.305 173.608 174.900 0.022 0.000 1.351 51 G CA -0.768 44.368 45.100 0.059 0.000 1.039 51 G HN 0.038 nan 8.290 nan 0.000 0.563 52 T N -0.370 114.245 114.554 0.101 0.000 2.921 52 T HA 0.513 4.862 4.350 -0.001 0.000 0.297 52 T C -1.038 173.752 174.700 0.151 0.000 1.013 52 T CA -0.246 61.916 62.100 0.105 0.000 0.990 52 T CB 1.885 70.813 68.868 0.099 0.000 1.023 52 T HN 0.347 nan 8.240 nan 0.000 0.447 53 V N 4.890 124.842 119.914 0.063 0.000 2.409 53 V HA 0.652 4.772 4.120 -0.001 0.000 0.291 53 V C -0.509 175.620 176.094 0.058 0.000 1.020 53 V CA -0.578 61.751 62.300 0.049 0.000 0.848 53 V CB 1.181 32.993 31.823 -0.017 0.000 0.990 53 V HN 0.712 nan 8.190 nan 0.000 0.430 54 L N 3.253 124.526 121.223 0.084 0.000 2.301 54 L HA 0.793 5.132 4.340 -0.001 0.000 0.249 54 L C -0.232 176.663 176.870 0.042 0.000 1.069 54 L CA -0.638 54.239 54.840 0.061 0.000 0.865 54 L CB 2.679 44.788 42.059 0.083 0.000 1.467 54 L HN 0.473 nan 8.230 nan 0.000 0.419 55 T N -0.337 114.232 114.554 0.026 0.000 2.863 55 T HA 0.732 5.081 4.350 -0.001 0.000 0.285 55 T C -0.198 174.507 174.700 0.009 0.000 1.009 55 T CA -0.584 61.526 62.100 0.017 0.000 0.989 55 T CB 1.933 70.807 68.868 0.010 0.000 1.004 55 T HN 0.822 nan 8.240 nan 0.000 0.455 56 G N 0.741 109.544 108.800 0.005 0.000 2.818 56 G HA2 0.662 4.621 3.960 -0.001 0.000 0.286 56 G HA3 0.662 4.621 3.960 -0.001 0.000 0.286 56 G C -1.851 173.046 174.900 -0.006 0.000 1.364 56 G CA -0.675 44.417 45.100 -0.014 0.000 0.938 56 G HN 0.531 nan 8.290 nan 0.000 0.490 57 D N -0.353 120.035 120.400 -0.020 0.000 2.391 57 D HA 0.473 5.113 4.640 -0.001 0.000 0.245 57 D C 0.715 177.027 176.300 0.019 0.000 1.069 57 D CA -0.247 53.759 54.000 0.010 0.000 0.831 57 D CB 1.406 42.218 40.800 0.019 0.000 1.204 57 D HN 0.643 nan 8.370 nan 0.000 0.503 58 C N 0.491 119.826 119.300 0.058 0.000 2.517 58 C HA 0.739 5.198 4.460 -0.001 0.000 0.357 58 C C 0.536 175.607 174.990 0.135 0.000 1.485 58 C CA -0.698 58.385 59.018 0.108 0.000 2.148 58 C CB 0.204 28.003 27.740 0.098 0.000 2.019 58 C HN 0.322 nan 8.230 nan 0.000 0.576 59 V N 1.150 121.164 119.914 0.167 0.000 2.686 59 V HA 0.447 4.566 4.120 -0.001 0.000 0.295 59 V C 0.246 176.291 176.094 -0.081 0.000 1.057 59 V CA -0.182 62.185 62.300 0.113 0.000 1.012 59 V CB 1.368 33.267 31.823 0.126 0.000 1.006 59 V HN 0.784 nan 8.190 nan 0.000 0.477 60 V N 6.383 126.166 119.914 -0.218 0.000 2.483 60 V HA 0.379 4.498 4.120 -0.001 0.000 0.295 60 V C -2.133 173.526 176.094 -0.725 0.000 1.035 60 V CA -1.918 60.039 62.300 -0.570 0.000 0.896 60 V CB 2.008 33.328 31.823 -0.840 0.000 0.986 60 V HN 0.798 nan 8.190 nan 0.000 0.447 61 P HA 0.049 nan 4.420 nan 0.000 0.265 61 P C 0.108 176.824 177.300 -0.972 0.000 1.193 61 P CA -0.029 62.178 63.100 -1.488 0.000 0.765 61 P CB 0.436 30.499 31.700 -2.728 0.000 0.823 62 S N 2.665 117.944 115.700 -0.702 0.000 4.053 62 S HA 0.188 4.657 4.470 -0.001 0.000 0.184 62 S C 0.043 174.612 174.600 -0.052 0.000 1.324 62 S CA -0.390 57.660 58.200 -0.250 0.000 0.956 62 S CB -1.453 61.709 63.200 -0.063 0.000 1.503 62 S HN 0.151 nan 8.310 nan 0.000 0.440 63 F N 0.491 120.441 119.950 -0.001 0.000 2.440 63 F HA 0.465 4.992 4.527 0.000 0.000 0.328 63 F C 1.912 177.823 175.800 0.185 0.000 1.070 63 F CA -1.876 56.164 58.000 0.066 0.000 1.011 63 F CB 0.047 39.058 39.000 0.019 0.000 1.226 63 F HN 0.094 nan 8.300 nan 0.000 0.491 64 T N 0.354 115.182 114.554 0.457 0.000 2.652 64 T HA -0.195 4.155 4.350 -0.001 0.000 0.267 64 T C 1.771 176.612 174.700 0.236 0.000 1.039 64 T CA 2.004 64.322 62.100 0.363 0.000 1.153 64 T CB -0.337 68.727 68.868 0.327 0.000 0.863 64 T HN 0.527 nan 8.240 nan 0.000 0.428 65 N N 0.614 119.434 118.700 0.200 0.000 2.080 65 N HA -0.057 4.682 4.740 -0.001 0.000 0.189 65 N C -1.037 174.530 175.510 0.095 0.000 1.036 65 N CA 0.938 54.065 53.050 0.128 0.000 0.846 65 N CB -0.629 37.923 38.487 0.109 0.000 1.015 65 N HN 0.299 nan 8.380 nan 0.000 0.423 66 P HA -0.151 nan 4.420 nan 0.000 0.215 66 P C 0.737 178.106 177.300 0.115 0.000 1.157 66 P CA 1.377 64.561 63.100 0.140 0.000 0.874 66 P CB -0.052 31.732 31.700 0.139 0.000 0.790 67 N N -0.874 117.909 118.700 0.138 0.000 2.080 67 N HA -0.117 4.622 4.740 -0.001 0.000 0.189 67 N C 1.658 177.243 175.510 0.125 0.000 1.036 67 N CA 1.008 54.150 53.050 0.152 0.000 0.846 67 N CB -0.925 37.666 38.487 0.173 0.000 1.015 67 N HN 0.192 nan 8.380 nan 0.000 0.423 68 N N 1.319 120.087 118.700 0.113 0.000 2.104 68 N HA -0.114 4.625 4.740 -0.001 0.000 0.190 68 N C 1.976 177.480 175.510 -0.010 0.000 1.024 68 N CA 0.710 53.829 53.050 0.115 0.000 0.853 68 N CB -0.211 38.358 38.487 0.135 0.000 1.008 68 N HN 0.211 nan 8.380 nan 0.000 0.424 69 L N 0.821 121.975 121.223 -0.114 0.000 2.083 69 L HA -0.135 4.205 4.340 -0.001 0.000 0.209 69 L C 2.338 179.004 176.870 -0.341 0.000 1.083 69 L CA 0.894 55.530 54.840 -0.339 0.000 0.752 69 L CB -0.210 41.477 42.059 -0.621 0.000 0.899 69 L HN 0.088 nan 8.230 nan 0.000 0.433 70 S N -0.250 115.367 115.700 -0.137 0.000 2.402 70 S HA -0.080 4.389 4.470 -0.001 0.000 0.229 70 S C 1.925 176.556 174.600 0.053 0.000 1.021 70 S CA 0.942 59.133 58.200 -0.014 0.000 0.974 70 S CB -0.218 62.928 63.200 -0.089 0.000 0.800 70 S HN 0.292 nan 8.310 nan 0.000 0.484 71 I N 1.808 122.446 120.570 0.114 0.000 2.208 71 I HA -0.160 4.010 4.170 -0.001 0.000 0.245 71 I C 2.341 178.467 176.117 0.016 0.000 1.097 71 I CA 1.196 62.593 61.300 0.162 0.000 1.363 71 I CB -0.410 37.705 38.000 0.191 0.000 1.051 71 I HN 0.279 nan 8.210 nan 0.000 0.413 72 V N -2.180 117.649 119.914 -0.142 0.000 3.306 72 V HA -0.040 4.079 4.120 -0.001 0.000 0.264 72 V C 1.886 177.885 176.094 -0.158 0.000 1.149 72 V CA 1.667 63.816 62.300 -0.250 0.000 1.143 72 V CB -0.986 30.587 31.823 -0.415 0.000 0.767 72 V HN 0.570 nan 8.190 nan 0.000 0.476 73 T N -4.065 110.447 114.554 -0.071 0.000 3.010 73 T HA 0.391 4.740 4.350 -0.001 0.000 0.257 73 T C 1.681 176.420 174.700 0.065 0.000 1.020 73 T CA 0.685 62.778 62.100 -0.011 0.000 0.938 73 T CB 0.260 69.148 68.868 0.033 0.000 1.049 73 T HN 1.508 nan 8.240 nan 0.000 0.522 74 G N 1.336 110.208 108.800 0.119 0.000 2.258 74 G HA2 0.079 4.038 3.960 -0.001 0.000 0.274 74 G HA3 0.079 4.038 3.960 -0.001 0.000 0.274 74 G C 0.210 175.246 174.900 0.226 0.000 1.021 74 G CA 0.190 45.471 45.100 0.302 0.000 0.798 74 G HN 1.356 nan 8.290 nan 0.000 0.507 75 A N -0.942 121.799 122.820 -0.132 0.000 2.569 75 A HA 0.988 5.308 4.320 -0.001 0.000 0.290 75 A C -2.762 174.373 177.584 -0.748 0.000 1.136 75 A CA -1.204 50.623 52.037 -0.351 0.000 0.710 75 A CB 2.004 20.940 19.000 -0.107 0.000 1.303 75 A HN 0.095 nan 8.150 nan 0.000 0.413 76 P HA 0.319 nan 4.420 nan 0.000 0.276 76 P C -2.160 174.702 177.300 -0.731 0.000 1.261 76 P CA -1.372 61.378 63.100 -0.584 0.000 0.800 76 P CB 0.126 31.663 31.700 -0.272 0.000 1.066 77 P HA -0.143 nan 4.420 nan 0.000 0.220 77 P C 1.560 178.553 177.300 -0.512 0.000 1.148 77 P CA 1.588 64.175 63.100 -0.855 0.000 0.803 77 P CB -0.560 30.997 31.700 -0.239 0.000 0.782 78 S N -1.290 114.227 115.700 -0.304 0.000 2.440 78 S HA -0.111 4.358 4.470 -0.001 0.000 0.238 78 S C 1.816 176.311 174.600 -0.175 0.000 1.010 78 S CA 1.458 59.551 58.200 -0.178 0.000 0.972 78 S CB -1.526 61.611 63.200 -0.105 0.000 0.774 78 S HN 0.020 nan 8.310 nan 0.000 0.501 79 V N 2.218 121.982 119.914 -0.250 0.000 2.521 79 V HA 0.041 4.160 4.120 -0.001 0.000 0.239 79 V C 2.394 178.420 176.094 -0.112 0.000 1.053 79 V CA 1.386 63.591 62.300 -0.159 0.000 1.073 79 V CB -0.830 30.914 31.823 -0.131 0.000 0.746 79 V HN 0.808 nan 8.190 nan 0.000 0.476 80 H N 0.266 119.302 119.070 -0.056 0.000 2.535 80 H HA 0.345 4.901 4.556 -0.001 0.000 0.273 80 H C 1.671 176.988 175.328 -0.018 0.000 0.983 80 H CA 0.845 56.872 56.048 -0.035 0.000 1.238 80 H CB -0.281 29.453 29.762 -0.045 0.000 1.412 80 H HN 0.404 nan 8.280 nan 0.000 0.562 81 G N 0.750 109.553 108.800 0.005 0.000 2.320 81 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.242 81 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.242 81 G C 0.116 175.094 174.900 0.130 0.000 1.033 81 G CA 0.157 45.287 45.100 0.051 0.000 0.620 81 G HN 0.323 nan 8.290 nan 0.000 0.517 82 I N 2.652 123.445 120.570 0.372 0.000 2.389 82 I HA 0.296 4.465 4.170 -0.001 0.000 0.295 82 I C 1.684 177.940 176.117 0.231 0.000 1.117 82 I CA -0.408 61.039 61.300 0.246 0.000 1.317 82 I CB -0.293 37.795 38.000 0.147 0.000 1.431 82 I HN 0.588 nan 8.210 nan 0.000 0.521 83 C N 3.080 122.451 119.300 0.117 0.000 2.994 83 C HA 0.798 5.257 4.460 -0.001 0.000 0.284 83 C C 0.735 175.790 174.990 0.109 0.000 1.404 83 C CA -0.023 59.043 59.018 0.080 0.000 1.775 83 C CB -0.587 27.167 27.740 0.024 0.000 2.458 83 C HN 0.863 nan 8.230 nan 0.000 0.593 84 G N 1.041 109.931 108.800 0.149 0.000 2.323 84 G HA2 0.212 4.171 3.960 -0.001 0.000 0.291 84 G HA3 0.212 4.171 3.960 -0.001 0.000 0.291 84 G C -0.536 174.445 174.900 0.135 0.000 1.278 84 G CA -0.229 44.983 45.100 0.187 0.000 0.860 84 G HN -0.043 nan 8.290 nan 0.000 0.504 85 N N -0.875 117.892 118.700 0.111 0.000 2.395 85 N HA 0.325 5.064 4.740 -0.001 0.000 0.175 85 N C 0.238 175.931 175.510 0.306 0.000 1.029 85 N CA 1.528 54.689 53.050 0.186 0.000 0.897 85 N CB -0.054 38.547 38.487 0.189 0.000 0.991 85 N HN 0.576 nan 8.380 nan 0.000 0.441 86 F N -2.436 117.543 119.950 0.050 0.000 2.858 86 F HA 0.513 5.039 4.527 -0.001 0.000 0.319 86 F C -1.471 174.476 175.800 0.246 0.000 1.166 86 F CA -1.803 56.227 58.000 0.050 0.000 0.899 86 F CB 0.765 39.708 39.000 -0.095 0.000 1.332 86 F HN -0.147 nan 8.300 nan 0.000 0.461 87 F N -0.177 119.807 119.950 0.056 0.000 2.754 87 F HA 0.773 5.299 4.527 -0.001 0.000 0.320 87 F C -2.255 173.681 175.800 0.226 0.000 1.156 87 F CA -1.811 56.219 58.000 0.049 0.000 0.950 87 F CB 1.750 40.809 39.000 0.098 0.000 1.388 87 F HN 0.654 nan 8.300 nan 0.000 0.485 88 F N 1.878 121.849 119.950 0.036 0.000 2.402 88 F HA 0.389 4.915 4.527 -0.001 0.000 0.355 88 F C -0.649 175.085 175.800 -0.110 0.000 1.123 88 F CA -0.597 57.222 58.000 -0.301 0.000 1.021 88 F CB 0.843 39.346 39.000 -0.829 0.000 1.160 88 F HN 0.623 nan 8.300 nan 0.000 0.451 89 D N 4.888 124.821 120.400 -0.778 0.000 2.313 89 D HA 0.203 4.842 4.640 -0.001 0.000 0.239 89 D C 0.485 176.383 176.300 -0.670 0.000 1.142 89 D CA 0.220 53.973 54.000 -0.411 0.000 0.847 89 D CB 1.846 42.508 40.800 -0.230 0.000 1.082 89 D HN 0.748 nan 8.370 nan 0.000 0.480 90 Q N 2.890 122.521 119.800 -0.280 0.000 2.253 90 Q HA 0.155 4.494 4.340 -0.001 0.000 0.210 90 Q C 0.981 176.937 176.000 -0.074 0.000 0.907 90 Q CA 0.535 56.247 55.803 -0.152 0.000 0.948 90 Q CB -0.369 28.435 28.738 0.110 0.000 1.033 90 Q HN 0.744 nan 8.270 nan 0.000 0.471 91 E N -1.295 118.842 120.200 -0.105 0.000 2.290 91 E HA -0.029 4.320 4.350 -0.001 0.000 0.199 91 E C 2.000 178.556 176.600 -0.073 0.000 0.912 91 E CA 1.170 57.540 56.400 -0.050 0.000 0.924 91 E CB 1.097 30.788 29.700 -0.014 0.000 0.901 91 E HN 0.679 nan 8.360 nan 0.000 0.487 92 T N -2.599 111.873 114.554 -0.137 0.000 3.001 92 T HA 0.043 4.392 4.350 -0.001 0.000 0.251 92 T C 0.759 175.353 174.700 -0.178 0.000 1.040 92 T CA 0.080 62.101 62.100 -0.132 0.000 0.985 92 T CB 0.468 69.258 68.868 -0.130 0.000 1.011 92 T HN -0.061 nan 8.240 nan 0.000 0.509 93 Q N 0.650 120.265 119.800 -0.309 0.000 2.494 93 Q HA -0.143 4.196 4.340 -0.001 0.000 0.272 93 Q C -0.454 175.361 176.000 -0.308 0.000 1.145 93 Q CA 0.839 56.456 55.803 -0.309 0.000 0.943 93 Q CB -1.969 26.751 28.738 -0.029 0.000 1.338 93 Q HN 0.846 nan 8.270 nan 0.000 0.492 94 E N -0.443 119.451 120.200 -0.509 0.000 2.320 94 E HA 0.387 4.736 4.350 -0.001 0.000 0.264 94 E C -0.864 175.544 176.600 -0.320 0.000 0.923 94 E CA -0.940 55.299 56.400 -0.267 0.000 0.796 94 E CB 1.182 30.783 29.700 -0.165 0.000 1.262 94 E HN 0.189 nan 8.360 nan 0.000 0.428 95 E N 1.009 121.163 120.200 -0.077 0.000 2.152 95 E HA 0.208 4.558 4.350 -0.001 0.000 0.285 95 E C -1.020 175.463 176.600 -0.195 0.000 1.043 95 E CA -0.342 56.040 56.400 -0.029 0.000 0.839 95 E CB 1.261 30.992 29.700 0.050 0.000 1.069 95 E HN 0.071 nan 8.360 nan 0.000 0.399 96 V N 5.079 124.737 119.914 -0.427 0.000 2.348 96 V HA 0.167 4.286 4.120 -0.001 0.000 0.270 96 V C -0.135 175.759 176.094 -0.333 0.000 1.037 96 V CA -0.724 61.245 62.300 -0.551 0.000 0.872 96 V CB 0.609 31.809 31.823 -1.037 0.000 1.002 96 V HN 0.547 nan 8.190 nan 0.000 0.464 97 L N 6.036 127.133 121.223 -0.210 0.000 2.283 97 L HA 0.407 4.747 4.340 -0.001 0.000 0.287 97 L C 0.662 177.338 176.870 -0.324 0.000 1.073 97 L CA 0.356 55.112 54.840 -0.139 0.000 0.822 97 L CB 1.094 43.099 42.059 -0.090 0.000 1.186 97 L HN 0.616 nan 8.230 nan 0.000 0.436 98 M N 4.103 123.551 119.600 -0.254 0.000 3.742 98 M HA 0.096 4.576 4.480 -0.001 0.000 0.197 98 M C 0.463 176.726 176.300 -0.061 0.000 1.417 98 M CA -0.009 55.082 55.300 -0.348 0.000 1.653 98 M CB -0.610 31.935 32.600 -0.091 0.000 1.079 98 M HN 0.587 nan 8.290 nan 0.000 0.558 99 N N -1.349 117.344 118.700 -0.013 0.000 2.203 99 N HA 0.097 4.836 4.740 -0.001 0.000 0.207 99 N C -0.714 174.876 175.510 0.134 0.000 1.130 99 N CA -0.181 52.913 53.050 0.073 0.000 0.861 99 N CB 0.447 38.973 38.487 0.065 0.000 1.005 99 N HN 0.226 nan 8.380 nan 0.000 0.507 100 D N -1.006 119.545 120.400 0.252 0.000 2.619 100 D HA 0.593 5.232 4.640 -0.001 0.000 0.241 100 D C 0.351 176.763 176.300 0.186 0.000 1.087 100 D CA -0.692 53.447 54.000 0.230 0.000 0.851 100 D CB 1.960 42.909 40.800 0.248 0.000 1.474 100 D HN 0.071 nan 8.370 nan 0.000 0.478 101 A N 3.625 126.433 122.820 -0.020 0.000 2.225 101 A HA -0.140 4.180 4.320 -0.001 0.000 0.215 101 A C 1.769 179.147 177.584 -0.344 0.000 1.164 101 A CA 1.147 53.025 52.037 -0.266 0.000 0.710 101 A CB -0.569 18.143 19.000 -0.480 0.000 0.780 101 A HN 0.572 nan 8.150 nan 0.000 0.473 102 K N -1.146 119.127 120.400 -0.211 0.000 2.365 102 K HA -0.126 4.193 4.320 -0.001 0.000 0.199 102 K C 0.792 177.096 176.600 -0.495 0.000 1.045 102 K CA 1.206 57.293 56.287 -0.333 0.000 0.962 102 K CB -0.290 31.988 32.500 -0.369 0.000 0.759 102 K HN 0.539 nan 8.250 nan 0.000 0.469 103 Y N 1.047 121.331 120.300 -0.028 0.000 2.500 103 Y HA 0.193 4.743 4.550 -0.000 0.000 0.270 103 Y C 0.756 176.657 175.900 0.001 0.000 1.134 103 Y CA -0.298 57.814 58.100 0.020 0.000 1.293 103 Y CB 0.305 38.811 38.460 0.077 0.000 1.063 103 Y HN -0.096 nan 8.280 nan 0.000 0.534 104 L N 1.283 122.523 121.223 0.030 0.000 2.462 104 L HA 0.030 4.369 4.340 -0.001 0.000 0.272 104 L C 0.932 177.826 176.870 0.039 0.000 1.166 104 L CA 0.520 55.376 54.840 0.027 0.000 0.880 104 L CB 0.849 42.871 42.059 -0.062 0.000 1.142 104 L HN 0.195 nan 8.230 nan 0.000 0.473 105 R N 2.412 122.956 120.500 0.074 0.000 2.397 105 R HA 0.373 4.713 4.340 -0.001 0.000 0.241 105 R C -0.238 176.095 176.300 0.055 0.000 0.914 105 R CA -0.026 56.104 56.100 0.050 0.000 1.071 105 R CB 0.747 31.065 30.300 0.030 0.000 1.116 105 R HN 0.690 nan 8.270 nan 0.000 0.524 106 A N 0.903 123.771 122.820 0.080 0.000 2.593 106 A HA 0.667 4.986 4.320 -0.001 0.000 0.290 106 A C -2.761 174.871 177.584 0.080 0.000 1.126 106 A CA -1.530 50.549 52.037 0.070 0.000 0.695 106 A CB 1.380 20.423 19.000 0.072 0.000 1.290 106 A HN -0.127 nan 8.150 nan 0.000 0.414 107 P HA 0.478 nan 4.420 nan 0.000 0.287 107 P C -0.294 177.010 177.300 0.007 0.000 1.270 107 P CA -0.106 63.016 63.100 0.035 0.000 0.844 107 P CB 1.246 32.950 31.700 0.008 0.000 1.068 108 T N -1.537 113.003 114.554 -0.022 0.000 2.909 108 T HA 0.359 4.708 4.350 -0.001 0.000 0.289 108 T C 1.469 176.096 174.700 -0.122 0.000 1.005 108 T CA -0.660 61.395 62.100 -0.075 0.000 1.084 108 T CB 0.278 69.089 68.868 -0.096 0.000 0.975 108 T HN 0.201 nan 8.240 nan 0.000 0.509 109 I N 1.234 121.694 120.570 -0.183 0.000 2.454 109 I HA -0.127 4.042 4.170 -0.001 0.000 0.254 109 I C 2.117 178.035 176.117 -0.331 0.000 1.156 109 I CA 1.012 62.148 61.300 -0.274 0.000 1.433 109 I CB -0.430 37.298 38.000 -0.455 0.000 1.082 109 I HN 0.640 nan 8.210 nan 0.000 0.432 110 L N 0.428 121.455 121.223 -0.326 0.000 2.017 110 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 110 L C 2.855 179.610 176.870 -0.193 0.000 1.073 110 L CA 1.487 56.140 54.840 -0.312 0.000 0.745 110 L CB -0.879 41.044 42.059 -0.228 0.000 0.894 110 L HN 0.201 nan 8.230 nan 0.000 0.432 111 A N -0.238 122.495 122.820 -0.144 0.000 1.908 111 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 111 A C 2.272 179.796 177.584 -0.100 0.000 1.181 111 A CA 1.575 53.547 52.037 -0.107 0.000 0.627 111 A CB -0.373 18.563 19.000 -0.106 0.000 0.818 111 A HN 0.397 nan 8.150 nan 0.000 0.445 112 E N -0.047 120.088 120.200 -0.109 0.000 2.051 112 E HA -0.192 4.157 4.350 -0.001 0.000 0.192 112 E C 2.105 178.653 176.600 -0.087 0.000 0.991 112 E CA 1.462 57.812 56.400 -0.084 0.000 0.799 112 E CB -0.572 29.088 29.700 -0.066 0.000 0.748 112 E HN 0.744 nan 8.360 nan 0.000 0.449 113 M N 0.521 120.039 119.600 -0.137 0.000 2.149 113 M HA -0.158 4.322 4.480 -0.001 0.000 0.261 113 M C 2.400 178.661 176.300 -0.066 0.000 1.064 113 M CA 1.688 56.916 55.300 -0.119 0.000 1.102 113 M CB -0.430 32.042 32.600 -0.212 0.000 1.369 113 M HN 0.064 nan 8.290 nan 0.000 0.408 114 A N 0.391 123.171 122.820 -0.066 0.000 1.897 114 A HA -0.136 4.184 4.320 -0.001 0.000 0.215 114 A C 2.113 179.679 177.584 -0.030 0.000 1.181 114 A CA 1.583 53.599 52.037 -0.035 0.000 0.620 114 A CB -0.442 18.537 19.000 -0.035 0.000 0.821 114 A HN 0.355 nan 8.150 nan 0.000 0.443 115 K N -0.122 120.254 120.400 -0.040 0.000 2.063 115 K HA -0.081 4.238 4.320 -0.001 0.000 0.208 115 K C 1.720 178.308 176.600 -0.021 0.000 1.048 115 K CA 1.272 57.540 56.287 -0.031 0.000 0.928 115 K CB -0.290 32.189 32.500 -0.035 0.000 0.713 115 K HN 0.422 nan 8.250 nan 0.000 0.442 116 A N -0.241 122.566 122.820 -0.021 0.000 2.261 116 A HA 0.204 4.524 4.320 -0.001 0.000 0.208 116 A C 1.220 178.802 177.584 -0.004 0.000 1.223 116 A CA 0.839 52.870 52.037 -0.010 0.000 0.833 116 A CB -0.628 18.367 19.000 -0.008 0.000 0.830 116 A HN 0.459 nan 8.150 nan 0.000 0.483 117 G N -1.682 107.115 108.800 -0.004 0.000 2.175 117 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.244 117 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.244 117 G C 0.144 175.050 174.900 0.010 0.000 0.982 117 G CA 0.248 45.350 45.100 0.003 0.000 0.641 117 G HN 0.593 nan 8.290 nan 0.000 0.527 118 Q N -0.344 119.461 119.800 0.008 0.000 2.293 118 Q HA 0.536 4.875 4.340 -0.001 0.000 0.251 118 Q C -0.110 175.907 176.000 0.030 0.000 0.930 118 Q CA -0.741 55.076 55.803 0.023 0.000 0.893 118 Q CB 1.464 30.219 28.738 0.027 0.000 1.215 118 Q HN 0.334 nan 8.270 nan 0.000 0.425 119 L N 4.157 125.407 121.223 0.046 0.000 2.295 119 L HA 0.282 4.621 4.340 -0.001 0.000 0.288 119 L C -1.294 175.624 176.870 0.080 0.000 1.079 119 L CA -0.013 54.859 54.840 0.052 0.000 0.830 119 L CB 0.708 42.795 42.059 0.047 0.000 1.200 119 L HN 0.288 nan 8.230 nan 0.000 0.438 120 V N 5.469 125.432 119.914 0.081 0.000 2.409 120 V HA 0.820 4.939 4.120 -0.001 0.000 0.291 120 V C 0.307 176.468 176.094 0.112 0.000 1.020 120 V CA -0.405 61.967 62.300 0.120 0.000 0.848 120 V CB 1.116 32.981 31.823 0.070 0.000 0.990 120 V HN 0.954 nan 8.190 nan 0.000 0.430 121 A N 4.661 127.556 122.820 0.125 0.000 2.337 121 A HA 0.918 5.237 4.320 -0.001 0.000 0.329 121 A C -0.913 176.720 177.584 0.082 0.000 1.146 121 A CA -0.600 51.492 52.037 0.091 0.000 0.800 121 A CB 1.748 20.783 19.000 0.059 0.000 1.220 121 A HN 0.674 nan 8.150 nan 0.000 0.472 122 V N 2.563 122.495 119.914 0.029 0.000 2.623 122 V HA 0.505 4.624 4.120 -0.001 0.000 0.304 122 V C -0.936 175.043 176.094 -0.192 0.000 1.054 122 V CA -0.375 61.937 62.300 0.020 0.000 0.882 122 V CB 1.865 33.735 31.823 0.079 0.000 1.002 122 V HN 0.721 nan 8.190 nan 0.000 0.424 123 V N 3.968 123.723 119.914 -0.264 0.000 2.482 123 V HA 0.633 4.752 4.120 -0.001 0.000 0.295 123 V C 0.110 176.012 176.094 -0.320 0.000 1.026 123 V CA -0.486 61.523 62.300 -0.485 0.000 0.856 123 V CB 2.043 33.501 31.823 -0.608 0.000 1.001 123 V HN 0.970 nan 8.190 nan 0.000 0.424 124 T N 1.452 115.861 114.554 -0.241 0.000 2.950 124 T HA 0.767 5.116 4.350 -0.001 0.000 0.288 124 T C 1.009 175.635 174.700 -0.123 0.000 1.035 124 T CA 0.058 62.071 62.100 -0.145 0.000 1.028 124 T CB 2.300 71.139 68.868 -0.048 0.000 1.109 124 T HN 0.673 nan 8.240 nan 0.000 0.514 125 A N 1.105 123.870 122.820 -0.092 0.000 1.874 125 A HA 0.210 4.529 4.320 -0.001 0.000 0.214 125 A C 1.073 178.629 177.584 -0.046 0.000 1.189 125 A CA 0.646 52.648 52.037 -0.059 0.000 0.615 125 A CB -0.355 18.617 19.000 -0.046 0.000 0.830 125 A HN 0.762 nan 8.150 nan 0.000 0.443 126 K N -0.031 120.351 120.400 -0.030 0.000 2.143 126 K HA 0.226 4.545 4.320 -0.001 0.000 0.272 126 K C -0.365 176.236 176.600 0.001 0.000 1.001 126 K CA -0.078 56.198 56.287 -0.019 0.000 0.915 126 K CB 1.456 33.954 32.500 -0.003 0.000 1.047 126 K HN 0.215 nan 8.250 nan 0.000 0.458 127 D N 1.808 122.212 120.400 0.007 0.000 2.234 127 D HA -0.081 4.558 4.640 -0.001 0.000 0.205 127 D C 1.533 177.862 176.300 0.049 0.000 0.962 127 D CA 1.270 55.290 54.000 0.033 0.000 0.855 127 D CB 0.401 41.222 40.800 0.036 0.000 0.951 127 D HN 0.395 nan 8.370 nan 0.000 0.500 128 K N -0.462 119.965 120.400 0.045 0.000 2.097 128 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 128 K C 1.843 178.479 176.600 0.060 0.000 1.049 128 K CA 0.606 56.927 56.287 0.057 0.000 0.933 128 K CB -0.070 32.465 32.500 0.059 0.000 0.717 128 K HN 0.099 nan 8.250 nan 0.000 0.442 129 L N 1.393 122.650 121.223 0.056 0.000 2.027 129 L HA -0.115 4.224 4.340 -0.001 0.000 0.206 129 L C 2.260 179.167 176.870 0.061 0.000 1.074 129 L CA 1.595 56.472 54.840 0.060 0.000 0.745 129 L CB -0.591 41.506 42.059 0.064 0.000 0.898 129 L HN 0.110 nan 8.230 nan 0.000 0.433 130 R N -0.299 120.237 120.500 0.059 0.000 2.133 130 R HA -0.236 4.103 4.340 -0.001 0.000 0.247 130 R C 1.789 178.136 176.300 0.078 0.000 1.151 130 R CA 1.954 58.094 56.100 0.066 0.000 0.971 130 R CB -0.423 29.919 30.300 0.070 0.000 0.866 130 R HN 0.511 nan 8.270 nan 0.000 0.447 131 N N 0.620 119.366 118.700 0.077 0.000 2.188 131 N HA -0.116 4.623 4.740 -0.001 0.000 0.184 131 N C 1.884 177.434 175.510 0.067 0.000 1.018 131 N CA 1.081 54.178 53.050 0.078 0.000 0.858 131 N CB -0.265 38.267 38.487 0.075 0.000 0.989 131 N HN 0.277 nan 8.380 nan 0.000 0.426 132 L N 0.312 121.565 121.223 0.051 0.000 2.109 132 L HA 0.026 4.365 4.340 -0.001 0.000 0.207 132 L C 2.037 178.926 176.870 0.032 0.000 1.086 132 L CA 0.569 55.424 54.840 0.026 0.000 0.760 132 L CB -0.269 41.801 42.059 0.019 0.000 0.910 132 L HN 0.089 nan 8.230 nan 0.000 0.437 133 L N -0.615 120.630 121.223 0.036 0.000 2.156 133 L HA -0.049 4.291 4.340 -0.001 0.000 0.208 133 L C 2.288 179.183 176.870 0.042 0.000 1.095 133 L CA 1.016 55.867 54.840 0.019 0.000 0.770 133 L CB -0.809 41.267 42.059 0.028 0.000 0.914 133 L HN 0.281 nan 8.230 nan 0.000 0.439 134 G N -2.214 106.631 108.800 0.075 0.000 3.026 134 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.208 134 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.208 134 G C 0.264 175.229 174.900 0.108 0.000 1.169 134 G CA -0.273 44.874 45.100 0.079 0.000 0.788 134 G HN 0.253 nan 8.290 nan 0.000 0.533 135 H N 1.584 120.651 119.070 -0.006 0.000 3.157 135 H HA 0.030 4.585 4.556 -0.001 0.000 0.299 135 H C 1.259 176.577 175.328 -0.017 0.000 0.961 135 H CA 0.386 56.429 56.048 -0.008 0.000 1.428 135 H CB 0.188 29.944 29.762 -0.010 0.000 1.459 135 H HN 0.453 nan 8.280 nan 0.000 0.566 136 Q N 1.184 120.719 119.800 -0.441 0.000 2.461 136 Q HA -0.282 4.057 4.340 -0.001 0.000 0.264 136 Q C -0.502 175.408 176.000 -0.151 0.000 1.085 136 Q CA 0.660 56.266 55.803 -0.328 0.000 1.006 136 Q CB -2.051 26.451 28.738 -0.393 0.000 1.437 136 Q HN 0.438 nan 8.270 nan 0.000 0.514 137 L N 0.830 122.004 121.223 -0.082 0.000 2.282 137 L HA 0.347 4.686 4.340 -0.001 0.000 0.288 137 L C -0.306 176.552 176.870 -0.021 0.000 1.033 137 L CA -0.078 54.736 54.840 -0.043 0.000 0.807 137 L CB 0.968 43.015 42.059 -0.020 0.000 1.209 137 L HN -0.099 nan 8.230 nan 0.000 0.423 138 K N 5.307 125.695 120.400 -0.021 0.000 2.334 138 K HA 0.746 5.065 4.320 -0.001 0.000 0.265 138 K C -0.127 176.479 176.600 0.010 0.000 1.039 138 K CA -0.144 56.139 56.287 -0.007 0.000 0.920 138 K CB 1.342 33.833 32.500 -0.015 0.000 1.160 138 K HN 0.947 nan 8.250 nan 0.000 0.451 139 G N 2.228 111.046 108.800 0.030 0.000 2.452 139 G HA2 0.196 4.156 3.960 -0.001 0.000 0.224 139 G HA3 0.196 4.156 3.960 -0.001 0.000 0.224 139 G C -1.431 173.521 174.900 0.087 0.000 1.208 139 G CA -0.900 44.232 45.100 0.053 0.000 0.946 139 G HN 0.346 nan 8.290 nan 0.000 0.481 140 I N 0.599 121.241 120.570 0.120 0.000 2.331 140 I HA 0.563 4.732 4.170 -0.001 0.000 0.292 140 I C -0.429 175.824 176.117 0.226 0.000 0.998 140 I CA -0.510 60.909 61.300 0.199 0.000 1.267 140 I CB 1.489 39.617 38.000 0.213 0.000 1.386 140 I HN 0.536 nan 8.210 nan 0.000 0.476 141 C N 8.628 128.130 119.300 0.337 0.000 2.817 141 C HA 0.704 5.164 4.460 -0.001 0.000 0.385 141 C C -0.909 174.348 174.990 0.446 0.000 1.050 141 C CA -0.551 58.619 59.018 0.252 0.000 1.245 141 C CB -0.102 27.731 27.740 0.156 0.000 1.706 141 C HN 0.759 nan 8.230 nan 0.000 0.488 142 F N 3.375 123.398 119.950 0.122 0.000 2.779 142 F HA 0.873 5.399 4.527 -0.002 0.000 0.316 142 F C -0.573 175.246 175.800 0.032 0.000 1.164 142 F CA -0.361 57.680 58.000 0.068 0.000 0.924 142 F CB 0.881 39.840 39.000 -0.068 0.000 1.348 142 F HN 0.547 nan 8.300 nan 0.000 0.467 143 S N 0.290 116.059 115.700 0.115 0.000 2.600 143 S HA 0.771 5.241 4.470 -0.001 0.000 0.300 143 S C 0.344 175.045 174.600 0.169 0.000 1.087 143 S CA -0.291 57.923 58.200 0.024 0.000 0.965 143 S CB 1.502 64.715 63.200 0.022 0.000 1.089 143 S HN 1.419 nan 8.310 nan 0.000 0.496 144 A N 0.692 123.585 122.820 0.122 0.000 1.968 144 A HA -0.014 4.305 4.320 -0.001 0.000 0.217 144 A C 1.957 179.458 177.584 -0.139 0.000 1.169 144 A CA 1.481 53.603 52.037 0.142 0.000 0.638 144 A CB -1.075 18.045 19.000 0.199 0.000 0.812 144 A HN 1.021 nan 8.150 nan 0.000 0.446 145 E N 0.211 120.358 120.200 -0.090 0.000 2.160 145 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 145 E C 0.422 176.959 176.600 -0.105 0.000 0.991 145 E CA 1.244 57.573 56.400 -0.119 0.000 0.810 145 E CB 0.006 29.653 29.700 -0.089 0.000 0.742 145 E HN 0.468 nan 8.360 nan 0.000 0.466 146 K N -0.586 119.780 120.400 -0.057 0.000 2.934 146 K HA 0.276 4.595 4.320 -0.001 0.000 0.210 146 K C 0.113 176.676 176.600 -0.062 0.000 1.122 146 K CA 0.311 56.566 56.287 -0.054 0.000 1.033 146 K CB 1.503 33.991 32.500 -0.020 0.000 0.779 146 K HN 0.022 nan 8.250 nan 0.000 0.459 147 A N 0.701 123.482 122.820 -0.064 0.000 2.258 147 A HA -0.096 4.223 4.320 -0.001 0.000 0.206 147 A C 1.246 178.786 177.584 -0.073 0.000 1.222 147 A CA 0.951 52.985 52.037 -0.004 0.000 0.822 147 A CB -0.264 18.819 19.000 0.138 0.000 0.804 147 A HN 0.147 nan 8.150 nan 0.000 0.483 148 D N 0.204 120.548 120.400 -0.094 0.000 2.255 148 D HA -0.055 4.584 4.640 -0.001 0.000 0.224 148 D C 1.495 177.755 176.300 -0.066 0.000 0.997 148 D CA 0.991 54.946 54.000 -0.075 0.000 0.906 148 D CB -0.209 40.550 40.800 -0.068 0.000 1.047 148 D HN 0.586 nan 8.370 nan 0.000 0.458 149 Q N 0.578 120.342 119.800 -0.060 0.000 2.292 149 Q HA 0.140 4.479 4.340 -0.001 0.000 0.235 149 Q C -0.340 175.643 176.000 -0.029 0.000 0.910 149 Q CA -0.093 55.700 55.803 -0.017 0.000 0.952 149 Q CB 0.474 29.223 28.738 0.019 0.000 1.089 149 Q HN -0.007 nan 8.270 nan 0.000 0.431 150 V N 3.323 123.154 119.914 -0.139 0.000 2.385 150 V HA 0.115 4.234 4.120 -0.001 0.000 0.269 150 V C -0.288 175.850 176.094 0.073 0.000 1.043 150 V CA -0.474 61.696 62.300 -0.216 0.000 0.906 150 V CB 0.642 32.177 31.823 -0.480 0.000 0.995 150 V HN 0.595 nan 8.190 nan 0.000 0.467 151 N N 4.483 123.413 118.700 0.383 0.000 2.362 151 N HA 0.386 5.126 4.740 -0.001 0.000 0.299 151 N C 0.369 175.946 175.510 0.111 0.000 1.170 151 N CA -0.892 52.254 53.050 0.160 0.000 0.825 151 N CB 1.570 40.114 38.487 0.096 0.000 1.299 151 N HN 0.261 nan 8.380 nan 0.000 0.502 152 L N 0.561 121.808 121.223 0.040 0.000 2.042 152 L HA -0.067 4.272 4.340 -0.001 0.000 0.210 152 L C 1.966 178.836 176.870 0.000 0.000 1.076 152 L CA 1.881 56.733 54.840 0.020 0.000 0.749 152 L CB -0.607 41.456 42.059 0.008 0.000 0.893 152 L HN 0.783 nan 8.230 nan 0.000 0.432 153 E N -1.133 119.056 120.200 -0.018 0.000 2.077 153 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 153 E C 2.082 178.630 176.600 -0.087 0.000 0.989 153 E CA 1.431 57.807 56.400 -0.040 0.000 0.800 153 E CB 0.041 29.721 29.700 -0.034 0.000 0.746 153 E HN 0.543 nan 8.360 nan 0.000 0.452 154 E N -1.043 119.048 120.200 -0.181 0.000 2.127 154 E HA -0.047 4.302 4.350 -0.001 0.000 0.191 154 E C 1.575 177.924 176.600 -0.419 0.000 0.964 154 E CA 0.448 56.629 56.400 -0.366 0.000 0.832 154 E CB 0.216 29.535 29.700 -0.635 0.000 0.790 154 E HN 0.374 nan 8.360 nan 0.000 0.465 155 H N -1.499 117.603 119.070 0.053 0.000 2.547 155 H HA 0.208 4.763 4.556 -0.001 0.000 0.272 155 H C 1.205 176.590 175.328 0.094 0.000 0.971 155 H CA 0.527 56.632 56.048 0.094 0.000 1.245 155 H CB 1.024 30.811 29.762 0.042 0.000 1.440 155 H HN 0.318 nan 8.280 nan 0.000 0.540 156 G N 0.455 109.325 108.800 0.116 0.000 2.179 156 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.260 156 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.260 156 G C 0.078 175.016 174.900 0.062 0.000 0.977 156 G CA 0.429 45.580 45.100 0.085 0.000 0.641 156 G HN 0.416 nan 8.290 nan 0.000 0.533 157 V N -3.365 116.569 119.914 0.033 0.000 3.181 157 V HA 0.935 5.054 4.120 -0.001 0.000 0.308 157 V C -0.498 175.550 176.094 -0.076 0.000 1.214 157 V CA -1.417 60.848 62.300 -0.058 0.000 1.053 157 V CB 2.047 33.749 31.823 -0.203 0.000 1.069 157 V HN 0.282 nan 8.190 nan 0.000 0.441 158 E N 0.392 120.537 120.200 -0.093 0.000 2.366 158 E HA 0.457 4.806 4.350 -0.001 0.000 0.278 158 E C -1.397 175.153 176.600 -0.084 0.000 0.923 158 E CA -1.075 55.281 56.400 -0.074 0.000 0.761 158 E CB 1.703 31.384 29.700 -0.033 0.000 1.231 158 E HN 0.832 nan 8.360 nan 0.000 0.443 159 N N 1.788 120.444 118.700 -0.073 0.000 2.642 159 N HA -0.216 4.523 4.740 -0.001 0.000 0.269 159 N C 0.101 175.576 175.510 -0.058 0.000 1.073 159 N CA 0.439 53.459 53.050 -0.051 0.000 0.748 159 N CB -0.955 37.516 38.487 -0.027 0.000 0.894 159 N HN 0.564 nan 8.380 nan 0.000 0.548 160 I N -0.200 120.319 120.570 -0.086 0.000 2.716 160 I HA 0.039 4.209 4.170 -0.001 0.000 0.259 160 I C 1.861 178.005 176.117 0.045 0.000 1.172 160 I CA 0.806 62.060 61.300 -0.077 0.000 1.478 160 I CB 0.104 37.982 38.000 -0.204 0.000 1.104 160 I HN 0.435 nan 8.210 nan 0.000 0.439 161 L N 0.452 121.746 121.223 0.118 0.000 2.046 161 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 161 L C 2.681 179.614 176.870 0.104 0.000 1.077 161 L CA 1.496 56.449 54.840 0.187 0.000 0.747 161 L CB -0.906 41.225 42.059 0.121 0.000 0.896 161 L HN 0.319 nan 8.230 nan 0.000 0.432 162 A N -0.099 122.750 122.820 0.049 0.000 1.933 162 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 162 A C 2.374 179.970 177.584 0.020 0.000 1.175 162 A CA 1.463 53.517 52.037 0.028 0.000 0.628 162 A CB -0.431 18.576 19.000 0.011 0.000 0.814 162 A HN 0.324 nan 8.150 nan 0.000 0.444 163 R N -0.992 119.511 120.500 0.005 0.000 2.075 163 R HA -0.033 4.307 4.340 -0.001 0.000 0.232 163 R C 1.954 178.246 176.300 -0.014 0.000 1.126 163 R CA 1.387 57.481 56.100 -0.010 0.000 0.963 163 R CB -0.397 29.886 30.300 -0.028 0.000 0.858 163 R HN 0.373 nan 8.270 nan 0.000 0.435 164 V N -0.316 119.582 119.914 -0.027 0.000 2.591 164 V HA 0.026 4.145 4.120 -0.001 0.000 0.249 164 V C 1.217 177.328 176.094 0.029 0.000 1.053 164 V CA 1.457 63.727 62.300 -0.051 0.000 1.068 164 V CB -0.105 31.582 31.823 -0.226 0.000 0.689 164 V HN 0.729 nan 8.190 nan 0.000 0.462 165 G N 0.139 108.976 108.800 0.063 0.000 2.212 165 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.255 165 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.255 165 G C -0.256 174.703 174.900 0.098 0.000 1.062 165 G CA 0.600 45.740 45.100 0.067 0.000 0.815 165 G HN 0.403 nan 8.290 nan 0.000 0.497 166 M N -0.322 119.374 119.600 0.159 0.000 2.631 166 M HA 0.605 5.084 4.480 -0.001 0.000 0.288 166 M C -2.411 173.985 176.300 0.160 0.000 1.260 166 M CA -2.093 53.319 55.300 0.187 0.000 0.842 166 M CB 2.715 35.515 32.600 0.334 0.000 1.743 166 M HN 0.003 nan 8.290 nan 0.000 0.461 167 P HA 0.343 nan 4.420 nan 0.000 0.283 167 P C -1.170 176.058 177.300 -0.119 0.000 1.278 167 P CA -0.583 62.514 63.100 -0.005 0.000 0.834 167 P CB 0.676 32.367 31.700 -0.015 0.000 1.150 168 V N 2.859 122.672 119.914 -0.168 0.000 2.446 168 V HA 0.121 4.240 4.120 -0.001 0.000 0.276 168 V C -1.693 174.258 176.094 -0.239 0.000 1.030 168 V CA -0.705 61.417 62.300 -0.297 0.000 1.033 168 V CB -0.361 31.326 31.823 -0.226 0.000 0.993 168 V HN 0.596 nan 8.190 nan 0.000 0.477 169 P HA 0.230 nan 4.420 nan 0.000 0.276 169 P C -0.312 176.882 177.300 -0.177 0.000 1.244 169 P CA -0.310 62.674 63.100 -0.194 0.000 0.801 169 P CB 0.789 32.387 31.700 -0.169 0.000 1.006 170 S N 0.614 116.230 115.700 -0.140 0.000 2.565 170 S HA 0.104 4.573 4.470 -0.001 0.000 0.276 170 S C 1.364 175.828 174.600 -0.227 0.000 1.326 170 S CA -0.652 57.461 58.200 -0.145 0.000 1.045 170 S CB 0.214 63.359 63.200 -0.092 0.000 0.918 170 S HN 0.171 nan 8.310 nan 0.000 0.505 171 V N 4.420 124.150 119.914 -0.306 0.000 2.392 171 V HA -0.136 3.983 4.120 -0.001 0.000 0.249 171 V C 0.610 176.324 176.094 -0.634 0.000 1.059 171 V CA 1.566 63.570 62.300 -0.494 0.000 1.051 171 V CB -0.782 30.627 31.823 -0.691 0.000 0.658 171 V HN 0.919 nan 8.190 nan 0.000 0.455 172 Y N 1.177 121.306 120.300 -0.285 0.000 2.830 172 Y HA 0.406 4.960 4.550 0.007 0.000 0.371 172 Y C 0.638 175.936 175.900 -1.004 0.000 1.246 172 Y CA 0.115 57.883 58.100 -0.553 0.000 1.890 172 Y CB -0.062 38.295 38.460 -0.172 0.000 1.995 172 Y HN 0.307 nan 8.280 nan 0.000 0.430 173 S N -1.346 113.778 115.700 -0.960 0.000 2.595 173 S HA 0.633 5.102 4.470 -0.001 0.000 0.270 173 S C 0.349 174.769 174.600 -0.300 0.000 1.145 173 S CA -0.475 57.344 58.200 -0.635 0.000 0.825 173 S CB 0.932 63.988 63.200 -0.241 0.000 1.107 173 S HN 0.247 nan 8.310 nan 0.000 0.461 174 A N 0.921 123.721 122.820 -0.035 0.000 2.015 174 A HA 0.028 4.347 4.320 -0.001 0.000 0.219 174 A C 1.524 179.237 177.584 0.215 0.000 1.163 174 A CA 1.609 53.727 52.037 0.134 0.000 0.646 174 A CB -0.970 18.166 19.000 0.227 0.000 0.806 174 A HN 0.873 nan 8.150 nan 0.000 0.448 175 D N -0.055 120.410 120.400 0.109 0.000 2.218 175 D HA -0.153 4.486 4.640 -0.001 0.000 0.204 175 D C 1.763 178.125 176.300 0.103 0.000 0.976 175 D CA 1.119 55.188 54.000 0.115 0.000 0.853 175 D CB -0.288 40.553 40.800 0.068 0.000 0.939 175 D HN 0.400 nan 8.370 nan 0.000 0.481 176 L N 1.271 122.509 121.223 0.024 0.000 2.012 176 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 176 L C 2.233 179.150 176.870 0.079 0.000 1.073 176 L CA 1.659 56.494 54.840 -0.007 0.000 0.748 176 L CB -0.427 41.575 42.059 -0.095 0.000 0.891 176 L HN -0.164 nan 8.230 nan 0.000 0.431 177 S N -1.174 114.617 115.700 0.152 0.000 2.414 177 S HA -0.149 4.320 4.470 -0.001 0.000 0.227 177 S C 1.801 176.509 174.600 0.181 0.000 1.022 177 S CA 0.962 59.267 58.200 0.175 0.000 0.958 177 S CB -0.158 63.289 63.200 0.413 0.000 0.797 177 S HN 0.601 nan 8.310 nan 0.000 0.493 178 E N 0.654 121.003 120.200 0.248 0.000 2.110 178 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 178 E C 1.722 178.381 176.600 0.098 0.000 0.988 178 E CA 0.933 57.450 56.400 0.196 0.000 0.804 178 E CB -0.247 29.564 29.700 0.185 0.000 0.745 178 E HN 0.455 nan 8.360 nan 0.000 0.458 179 F N 0.776 120.712 119.950 -0.023 0.000 2.095 179 F HA -0.247 4.280 4.527 0.000 0.000 0.298 179 F C 2.120 177.850 175.800 -0.117 0.000 1.104 179 F CA 1.512 59.485 58.000 -0.045 0.000 1.232 179 F CB -0.541 38.445 39.000 -0.023 0.000 0.987 179 F HN -0.092 nan 8.300 nan 0.000 0.475 180 V N 0.159 120.044 119.914 -0.049 0.000 2.233 180 V HA -0.393 3.726 4.120 -0.001 0.000 0.252 180 V C 2.333 178.152 176.094 -0.458 0.000 1.063 180 V CA 2.467 64.580 62.300 -0.312 0.000 1.032 180 V CB -0.960 30.586 31.823 -0.462 0.000 0.645 180 V HN 0.295 nan 8.190 nan 0.000 0.446 181 F N 0.463 120.191 119.950 -0.370 0.000 2.134 181 F HA -0.134 4.392 4.527 -0.002 0.000 0.299 181 F C 2.391 177.803 175.800 -0.647 0.000 1.097 181 F CA 1.483 59.144 58.000 -0.565 0.000 1.264 181 F CB -1.147 37.154 39.000 -1.166 0.000 1.001 181 F HN 0.107 nan 8.300 nan 0.000 0.479 182 A N 0.001 122.522 122.820 -0.498 0.000 1.873 182 A HA -0.036 4.283 4.320 -0.001 0.000 0.215 182 A C 2.427 179.885 177.584 -0.210 0.000 1.186 182 A CA 1.697 53.563 52.037 -0.284 0.000 0.616 182 A CB -1.350 17.556 19.000 -0.157 0.000 0.823 182 A HN 0.297 nan 8.150 nan 0.000 0.442 183 A N -0.425 122.174 122.820 -0.370 0.000 1.940 183 A HA 0.069 4.388 4.320 -0.001 0.000 0.219 183 A C 2.384 179.923 177.584 -0.074 0.000 1.176 183 A CA 1.979 53.863 52.037 -0.254 0.000 0.631 183 A CB -1.385 17.465 19.000 -0.251 0.000 0.814 183 A HN 0.778 nan 8.150 nan 0.000 0.446 184 G N -0.496 108.249 108.800 -0.091 0.000 2.432 184 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.219 184 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.219 184 G C 1.463 176.394 174.900 0.052 0.000 1.135 184 G CA 1.142 46.202 45.100 -0.066 0.000 0.767 184 G HN 0.510 nan 8.290 nan 0.000 0.550 185 L N 0.347 121.703 121.223 0.222 0.000 2.109 185 L HA 0.163 4.503 4.340 -0.001 0.000 0.207 185 L C 2.843 179.793 176.870 0.134 0.000 1.086 185 L CA 1.962 56.992 54.840 0.318 0.000 0.760 185 L CB -0.451 41.851 42.059 0.404 0.000 0.910 185 L HN 0.165 nan 8.230 nan 0.000 0.437 186 S N -0.717 115.024 115.700 0.068 0.000 2.348 186 S HA -0.119 4.350 4.470 -0.001 0.000 0.221 186 S C 1.924 176.544 174.600 0.033 0.000 1.033 186 S CA 1.566 59.786 58.200 0.035 0.000 1.010 186 S CB -0.353 62.848 63.200 0.000 0.000 0.891 186 S HN 0.467 nan 8.310 nan 0.000 0.442 187 L N 0.837 122.080 121.223 0.034 0.000 2.012 187 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 187 L C 2.472 179.350 176.870 0.013 0.000 1.073 187 L CA 1.154 56.014 54.840 0.033 0.000 0.748 187 L CB -0.611 41.472 42.059 0.039 0.000 0.891 187 L HN 0.350 nan 8.230 nan 0.000 0.431 188 L N 0.034 121.257 121.223 -0.000 0.000 2.083 188 L HA -0.188 4.152 4.340 -0.001 0.000 0.209 188 L C 2.627 179.506 176.870 0.015 0.000 1.083 188 L CA 2.300 57.134 54.840 -0.011 0.000 0.752 188 L CB -0.516 41.525 42.059 -0.030 0.000 0.899 188 L HN 0.414 nan 8.230 nan 0.000 0.433 189 T N -4.219 110.355 114.554 0.034 0.000 3.088 189 T HA 0.062 4.412 4.350 -0.001 0.000 0.259 189 T C 1.472 176.184 174.700 0.020 0.000 1.122 189 T CA 0.740 62.858 62.100 0.030 0.000 1.095 189 T CB -0.211 68.681 68.868 0.040 0.000 0.930 189 T HN 0.335 nan 8.240 nan 0.000 0.508 190 N N 1.316 120.027 118.700 0.019 0.000 2.831 190 N HA 0.206 4.946 4.740 -0.001 0.000 0.233 190 N C 1.664 177.184 175.510 0.015 0.000 1.031 190 N CA 0.561 53.620 53.050 0.015 0.000 1.198 190 N CB -0.328 38.168 38.487 0.014 0.000 1.595 190 N HN 0.240 nan 8.380 nan 0.000 0.588 191 E N 1.086 121.298 120.200 0.020 0.000 2.204 191 E HA 0.026 4.375 4.350 -0.001 0.000 0.194 191 E C -0.062 176.550 176.600 0.019 0.000 0.989 191 E CA 0.157 56.571 56.400 0.023 0.000 0.824 191 E CB 0.016 29.737 29.700 0.034 0.000 0.756 191 E HN 0.177 nan 8.360 nan 0.000 0.477 192 R N 0.674 121.182 120.500 0.013 0.000 3.059 192 R HA -0.136 4.203 4.340 -0.001 0.000 0.251 192 R C -2.516 173.790 176.300 0.009 0.000 0.886 192 R CA -0.029 56.074 56.100 0.005 0.000 0.634 192 R CB -1.445 28.858 30.300 0.006 0.000 1.282 192 R HN 0.068 nan 8.270 nan 0.000 0.487 193 P HA 0.086 nan 4.420 nan 0.000 0.272 193 P C 0.401 177.721 177.300 0.033 0.000 1.223 193 P CA -0.293 62.825 63.100 0.031 0.000 0.784 193 P CB 0.502 32.226 31.700 0.040 0.000 0.923 194 D N -0.070 120.372 120.400 0.070 0.000 2.117 194 D HA -0.059 4.580 4.640 -0.001 0.000 0.198 194 D C 0.133 176.518 176.300 0.142 0.000 0.982 194 D CA 1.688 55.744 54.000 0.094 0.000 0.828 194 D CB 0.037 40.902 40.800 0.108 0.000 0.967 194 D HN 0.293 nan 8.370 nan 0.000 0.464 195 F N 0.164 120.113 119.950 -0.003 0.000 2.561 195 F HA 0.453 4.979 4.527 -0.001 0.000 0.313 195 F C -1.106 174.691 175.800 -0.004 0.000 1.126 195 F CA -0.936 57.063 58.000 -0.002 0.000 0.918 195 F CB 1.828 40.825 39.000 -0.006 0.000 1.199 195 F HN -0.350 nan 8.300 nan 0.000 0.444 196 M N 6.788 126.197 119.600 -0.319 0.000 2.386 196 M HA 0.409 4.888 4.480 -0.001 0.000 0.293 196 M C -2.323 173.901 176.300 -0.127 0.000 1.120 196 M CA -0.696 54.535 55.300 -0.115 0.000 0.909 196 M CB 2.047 34.538 32.600 -0.182 0.000 1.661 196 M HN 0.717 nan 8.290 nan 0.000 0.452 197 Y N 5.235 125.496 120.300 -0.065 0.000 2.331 197 Y HA 0.642 5.191 4.550 -0.001 0.000 0.334 197 Y C -1.857 173.971 175.900 -0.120 0.000 0.960 197 Y CA -0.804 57.269 58.100 -0.044 0.000 1.130 197 Y CB 1.133 39.650 38.460 0.095 0.000 1.164 197 Y HN 0.596 nan 8.280 nan 0.000 0.458 198 L N 5.430 126.293 121.223 -0.600 0.000 2.322 198 L HA 0.583 4.923 4.340 -0.001 0.000 0.281 198 L C -0.455 175.969 176.870 -0.742 0.000 1.014 198 L CA -0.790 53.704 54.840 -0.578 0.000 0.815 198 L CB 1.871 43.648 42.059 -0.470 0.000 1.247 198 L HN 0.563 nan 8.230 nan 0.000 0.421 199 S N 1.168 116.542 115.700 -0.544 0.000 2.672 199 S HA 0.563 5.032 4.470 -0.001 0.000 0.291 199 S C -0.176 174.276 174.600 -0.247 0.000 1.145 199 S CA -0.534 57.437 58.200 -0.382 0.000 1.013 199 S CB 1.392 64.442 63.200 -0.250 0.000 1.017 199 S HN 0.767 nan 8.310 nan 0.000 0.487 200 T N 1.553 116.001 114.554 -0.176 0.000 2.891 200 T HA 0.666 5.015 4.350 -0.001 0.000 0.294 200 T C 0.330 175.038 174.700 0.013 0.000 1.065 200 T CA -0.466 61.590 62.100 -0.073 0.000 0.936 200 T CB 1.166 70.057 68.868 0.038 0.000 1.415 200 T HN 0.549 nan 8.240 nan 0.000 0.572 201 T N -0.003 114.602 114.554 0.085 0.000 2.907 201 T HA 0.426 4.775 4.350 -0.001 0.000 0.292 201 T C -0.699 174.092 174.700 0.152 0.000 1.043 201 T CA -0.610 61.561 62.100 0.118 0.000 1.003 201 T CB 1.136 70.070 68.868 0.109 0.000 1.084 201 T HN 0.771 nan 8.240 nan 0.000 0.483 202 D N 1.956 122.470 120.400 0.191 0.000 2.460 202 D HA 0.028 4.667 4.640 -0.001 0.000 0.229 202 D C 1.039 177.468 176.300 0.215 0.000 1.170 202 D CA -0.312 53.782 54.000 0.158 0.000 0.827 202 D CB -0.562 40.334 40.800 0.161 0.000 0.973 202 D HN 0.600 nan 8.370 nan 0.000 0.496 203 Y N 1.108 121.468 120.300 0.099 0.000 2.081 203 Y HA -0.307 4.240 4.550 -0.005 0.000 0.280 203 Y C 1.899 177.824 175.900 0.041 0.000 1.163 203 Y CA 1.776 59.944 58.100 0.115 0.000 1.135 203 Y CB -0.193 38.306 38.460 0.064 0.000 0.970 203 Y HN -0.029 nan 8.280 nan 0.000 0.498 204 V N 0.504 120.328 119.914 -0.150 0.000 2.407 204 V HA -0.338 3.782 4.120 -0.001 0.000 0.248 204 V C 2.074 178.107 176.094 -0.102 0.000 1.055 204 V CA 2.328 64.486 62.300 -0.236 0.000 1.049 204 V CB -0.735 30.734 31.823 -0.590 0.000 0.662 204 V HN 0.448 nan 8.190 nan 0.000 0.455 205 Q N -1.378 118.362 119.800 -0.100 0.000 2.297 205 Q HA -0.086 4.253 4.340 -0.001 0.000 0.204 205 Q C 2.158 178.196 176.000 0.063 0.000 0.962 205 Q CA 0.939 56.738 55.803 -0.007 0.000 0.879 205 Q CB -0.249 28.399 28.738 -0.150 0.000 0.947 205 Q HN 0.642 nan 8.270 nan 0.000 0.462 206 H N -0.144 118.936 119.070 0.017 0.000 2.470 206 H HA 0.113 4.670 4.556 0.001 0.000 0.289 206 H C 1.350 176.619 175.328 -0.098 0.000 1.033 206 H CA 0.972 57.033 56.048 0.022 0.000 1.331 206 H CB 0.579 30.363 29.762 0.037 0.000 1.414 206 H HN 0.181 nan 8.280 nan 0.000 0.545 207 K N -0.374 119.934 120.400 -0.154 0.000 2.141 207 K HA 0.028 4.348 4.320 -0.001 0.000 0.202 207 K C 0.063 176.306 176.600 -0.594 0.000 1.045 207 K CA 0.485 56.498 56.287 -0.457 0.000 0.971 207 K CB 0.482 32.520 32.500 -0.770 0.000 0.795 207 K HN 0.255 nan 8.250 nan 0.000 0.459 208 H N -0.653 118.445 119.070 0.048 0.000 2.524 208 H HA 0.407 4.963 4.556 -0.001 0.000 0.353 208 H C -0.619 174.834 175.328 0.209 0.000 1.136 208 H CA -0.836 55.278 56.048 0.110 0.000 1.193 208 H CB 1.791 31.625 29.762 0.120 0.000 1.558 208 H HN 0.108 nan 8.280 nan 0.000 0.515 209 A N 3.577 126.533 122.820 0.226 0.000 2.287 209 A HA 0.437 4.756 4.320 -0.001 0.000 0.273 209 A C -2.316 175.255 177.584 -0.021 0.000 1.091 209 A CA -1.560 50.518 52.037 0.069 0.000 0.817 209 A CB -0.188 18.808 19.000 -0.006 0.000 1.069 209 A HN 0.397 nan 8.150 nan 0.000 0.492 210 P HA 0.298 nan 4.420 nan 0.000 0.269 210 P C 0.892 178.087 177.300 -0.176 0.000 1.209 210 P CA 1.745 64.524 63.100 -0.535 0.000 0.776 210 P CB 0.723 31.956 31.700 -0.779 0.000 0.876 211 G N 1.016 109.769 108.800 -0.079 0.000 2.176 211 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.253 211 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.253 211 G C 0.313 175.221 174.900 0.013 0.000 0.979 211 G CA 0.422 45.503 45.100 -0.032 0.000 0.641 211 G HN 0.822 nan 8.290 nan 0.000 0.530 212 T N -1.266 113.318 114.554 0.050 0.000 2.913 212 T HA 0.617 4.966 4.350 -0.001 0.000 0.287 212 T C -0.667 174.059 174.700 0.044 0.000 1.008 212 T CA -0.959 61.175 62.100 0.057 0.000 1.067 212 T CB 2.283 71.209 68.868 0.097 0.000 0.996 212 T HN -0.044 nan 8.240 nan 0.000 0.513 213 P HA -0.162 nan 4.420 nan 0.000 0.216 213 P C 1.088 178.381 177.300 -0.012 0.000 1.157 213 P CA 1.335 64.439 63.100 0.005 0.000 0.880 213 P CB 0.064 31.762 31.700 -0.004 0.000 0.791 214 E N -0.408 119.720 120.200 -0.120 0.000 2.107 214 E HA -0.045 4.304 4.350 -0.001 0.000 0.191 214 E C 2.194 178.780 176.600 -0.023 0.000 0.982 214 E CA 1.269 57.535 56.400 -0.223 0.000 0.809 214 E CB -1.152 28.070 29.700 -0.798 0.000 0.756 214 E HN 0.178 nan 8.360 nan 0.000 0.459 215 A N 1.600 124.474 122.820 0.091 0.000 1.858 215 A HA -0.233 4.086 4.320 -0.001 0.000 0.216 215 A C 1.869 179.698 177.584 0.409 0.000 1.190 215 A CA 1.748 53.994 52.037 0.348 0.000 0.617 215 A CB -0.655 18.598 19.000 0.422 0.000 0.827 215 A HN 0.147 nan 8.150 nan 0.000 0.443 216 N N 0.555 119.399 118.700 0.241 0.000 2.137 216 N HA -0.146 4.593 4.740 -0.001 0.000 0.190 216 N C 1.818 177.457 175.510 0.214 0.000 1.017 216 N CA 1.624 54.799 53.050 0.208 0.000 0.859 216 N CB -0.628 37.924 38.487 0.107 0.000 1.002 216 N HN 0.506 nan 8.380 nan 0.000 0.428 217 A N 0.593 123.519 122.820 0.176 0.000 1.845 217 A HA -0.127 4.192 4.320 -0.001 0.000 0.215 217 A C 2.176 179.867 177.584 0.178 0.000 1.195 217 A CA 1.125 53.246 52.037 0.140 0.000 0.616 217 A CB -1.198 17.866 19.000 0.108 0.000 0.832 217 A HN 0.320 nan 8.150 nan 0.000 0.443 218 F N -1.000 118.995 119.950 0.075 0.000 2.120 218 F HA -0.275 4.253 4.527 0.002 0.000 0.300 218 F C 2.152 177.898 175.800 -0.091 0.000 1.095 218 F CA 1.952 59.958 58.000 0.009 0.000 1.249 218 F CB -0.194 38.836 39.000 0.050 0.000 0.995 218 F HN 0.327 nan 8.300 nan 0.000 0.480 219 Y N -0.065 120.257 120.300 0.038 0.000 2.293 219 Y HA -0.114 4.435 4.550 -0.002 0.000 0.291 219 Y C 2.449 178.264 175.900 -0.143 0.000 1.137 219 Y CA 1.047 59.100 58.100 -0.077 0.000 1.202 219 Y CB -1.031 37.471 38.460 0.070 0.000 0.990 219 Y HN 0.142 nan 8.280 nan 0.000 0.537 220 A N -0.349 122.487 122.820 0.027 0.000 2.015 220 A HA -0.162 4.157 4.320 -0.001 0.000 0.219 220 A C 2.295 179.766 177.584 -0.187 0.000 1.163 220 A CA 1.416 53.426 52.037 -0.046 0.000 0.646 220 A CB -0.592 18.405 19.000 -0.005 0.000 0.806 220 A HN 0.405 nan 8.150 nan 0.000 0.448 221 M N -0.343 119.107 119.600 -0.250 0.000 2.099 221 M HA -0.094 4.385 4.480 -0.001 0.000 0.262 221 M C 2.005 177.979 176.300 -0.542 0.000 1.067 221 M CA 1.969 57.078 55.300 -0.317 0.000 1.124 221 M CB -0.739 31.726 32.600 -0.225 0.000 1.353 221 M HN 0.479 nan 8.290 nan 0.000 0.410 222 M N -0.139 118.948 119.600 -0.854 0.000 2.117 222 M HA -0.225 4.254 4.480 -0.001 0.000 0.262 222 M C 1.713 177.163 176.300 -1.417 0.000 1.065 222 M CA 2.213 56.652 55.300 -1.435 0.000 1.114 222 M CB -0.976 30.737 32.600 -1.479 0.000 1.361 222 M HN 0.264 nan 8.290 nan 0.000 0.408 223 D N 0.350 120.330 120.400 -0.700 0.000 2.133 223 D HA -0.189 4.451 4.640 -0.001 0.000 0.195 223 D C 2.069 178.148 176.300 -0.369 0.000 0.997 223 D CA 1.938 55.780 54.000 -0.264 0.000 0.840 223 D CB 0.025 40.830 40.800 0.008 0.000 0.947 223 D HN 0.285 nan 8.370 nan 0.000 0.452 224 S N -1.552 113.872 115.700 -0.460 0.000 2.368 224 S HA -0.223 4.247 4.470 -0.001 0.000 0.225 224 S C 2.021 176.195 174.600 -0.709 0.000 1.030 224 S CA 1.031 58.925 58.200 -0.511 0.000 0.999 224 S CB -0.691 62.205 63.200 -0.507 0.000 0.844 224 S HN 0.425 nan 8.310 nan 0.000 0.459 225 Y N 0.693 120.518 120.300 -0.790 0.000 2.220 225 Y HA 0.134 4.683 4.550 -0.001 0.000 0.291 225 Y C 2.103 177.389 175.900 -1.024 0.000 1.129 225 Y CA 1.292 58.816 58.100 -0.961 0.000 1.161 225 Y CB -0.709 37.117 38.460 -1.055 0.000 0.997 225 Y HN 0.322 nan 8.280 nan 0.000 0.522 226 F N 0.250 119.858 119.950 -0.571 0.000 2.192 226 F HA -0.297 4.230 4.527 -0.001 0.000 0.301 226 F C 2.442 177.776 175.800 -0.778 0.000 1.079 226 F CA 1.352 59.086 58.000 -0.443 0.000 1.303 226 F CB -0.191 38.676 39.000 -0.222 0.000 1.024 226 F HN -0.006 nan 8.300 nan 0.000 0.494 227 K N 0.769 120.682 120.400 -0.811 0.000 2.103 227 K HA -0.099 4.220 4.320 -0.001 0.000 0.204 227 K C 2.134 178.491 176.600 -0.406 0.000 1.052 227 K CA 0.814 56.525 56.287 -0.959 0.000 0.945 227 K CB 0.006 32.131 32.500 -0.624 0.000 0.722 227 K HN 0.120 nan 8.250 nan 0.000 0.443 228 R N -0.704 119.564 120.500 -0.388 0.000 2.075 228 R HA -0.104 4.235 4.340 -0.001 0.000 0.232 228 R C 2.165 178.439 176.300 -0.044 0.000 1.126 228 R CA 1.398 57.357 56.100 -0.234 0.000 0.963 228 R CB -0.261 29.852 30.300 -0.311 0.000 0.858 228 R HN 0.233 nan 8.270 nan 0.000 0.435 229 Y N -0.423 119.868 120.300 -0.016 0.000 2.181 229 Y HA -0.213 4.336 4.550 -0.001 0.000 0.288 229 Y C 2.326 178.237 175.900 0.018 0.000 1.146 229 Y CA 1.361 59.477 58.100 0.027 0.000 1.164 229 Y CB -1.105 37.406 38.460 0.086 0.000 0.982 229 Y HN 0.261 nan 8.280 nan 0.000 0.515 230 H N 0.032 119.135 119.070 0.057 0.000 2.389 230 H HA -0.080 4.475 4.556 -0.001 0.000 0.299 230 H C 1.763 177.086 175.328 -0.007 0.000 1.081 230 H CA 1.916 57.981 56.048 0.028 0.000 1.345 230 H CB 0.050 29.821 29.762 0.016 0.000 1.393 230 H HN 0.364 nan 8.280 nan 0.000 0.520 231 E N -0.276 119.925 120.200 0.002 0.000 2.268 231 E HA -0.130 4.220 4.350 -0.001 0.000 0.195 231 E C 1.692 178.249 176.600 -0.071 0.000 0.995 231 E CA 0.448 56.818 56.400 -0.050 0.000 0.836 231 E CB 0.191 29.886 29.700 -0.010 0.000 0.763 231 E HN 0.545 nan 8.360 nan 0.000 0.491 232 Q N -0.754 119.028 119.800 -0.030 0.000 2.451 232 Q HA 0.014 4.353 4.340 -0.001 0.000 0.206 232 Q C 1.245 177.217 176.000 -0.047 0.000 0.947 232 Q CA 0.876 56.672 55.803 -0.013 0.000 0.937 232 Q CB 1.046 29.813 28.738 0.047 0.000 1.025 232 Q HN 0.435 nan 8.270 nan 0.000 0.511 233 G N 0.056 108.792 108.800 -0.108 0.000 2.157 233 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.239 233 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.239 233 G C 0.324 175.184 174.900 -0.068 0.000 0.982 233 G CA 0.159 45.187 45.100 -0.120 0.000 0.650 233 G HN 0.576 nan 8.290 nan 0.000 0.527 234 A N -0.477 122.326 122.820 -0.028 0.000 2.287 234 A HA 0.767 5.086 4.320 -0.001 0.000 0.273 234 A C 0.252 177.857 177.584 0.035 0.000 1.091 234 A CA -0.165 51.868 52.037 -0.005 0.000 0.817 234 A CB 0.430 19.417 19.000 -0.022 0.000 1.069 234 A HN 0.748 nan 8.150 nan 0.000 0.492 235 I N 0.949 121.539 120.570 0.035 0.000 2.325 235 I HA 0.290 4.459 4.170 -0.001 0.000 0.291 235 I C -0.279 175.878 176.117 0.068 0.000 1.019 235 I CA 0.390 61.744 61.300 0.090 0.000 1.302 235 I CB 1.356 39.413 38.000 0.096 0.000 1.401 235 I HN 0.217 nan 8.210 nan 0.000 0.485 236 V N 6.394 126.387 119.914 0.131 0.000 2.384 236 V HA 0.793 4.912 4.120 -0.001 0.000 0.287 236 V C 0.081 176.166 176.094 -0.015 0.000 1.020 236 V CA -0.613 61.727 62.300 0.066 0.000 0.850 236 V CB 1.381 33.305 31.823 0.168 0.000 0.987 236 V HN 0.812 nan 8.190 nan 0.000 0.436 237 A N 6.605 129.340 122.820 -0.142 0.000 2.330 237 A HA 0.927 5.246 4.320 -0.001 0.000 0.313 237 A C -0.934 176.420 177.584 -0.384 0.000 1.124 237 A CA -0.446 51.352 52.037 -0.398 0.000 0.774 237 A CB 0.819 19.664 19.000 -0.259 0.000 1.198 237 A HN 0.751 nan 8.150 nan 0.000 0.465 238 I N 1.453 121.720 120.570 -0.505 0.000 2.545 238 I HA 0.639 4.809 4.170 -0.001 0.000 0.292 238 I C 0.372 176.334 176.117 -0.257 0.000 1.040 238 I CA -0.159 60.941 61.300 -0.334 0.000 1.068 238 I CB 2.548 40.318 38.000 -0.384 0.000 1.251 238 I HN 0.684 nan 8.210 nan 0.000 0.424 239 T N 3.298 117.775 114.554 -0.129 0.000 2.618 239 T HA 0.919 5.268 4.350 -0.001 0.000 0.286 239 T C -1.744 172.943 174.700 -0.021 0.000 1.027 239 T CA -0.468 61.597 62.100 -0.059 0.000 1.063 239 T CB 1.765 70.620 68.868 -0.022 0.000 1.440 239 T HN 0.720 nan 8.240 nan 0.000 0.505 240 A N 0.454 123.269 122.820 -0.009 0.000 2.587 240 A HA 0.624 4.943 4.320 -0.001 0.000 0.293 240 A C 0.085 177.636 177.584 -0.055 0.000 1.087 240 A CA -0.207 51.804 52.037 -0.044 0.000 0.692 240 A CB 1.279 20.254 19.000 -0.041 0.000 1.291 240 A HN 0.822 nan 8.150 nan 0.000 0.407 241 D N -0.111 120.194 120.400 -0.158 0.000 2.234 241 D HA 0.154 4.793 4.640 -0.001 0.000 0.205 241 D C 0.420 176.684 176.300 -0.061 0.000 0.962 241 D CA 1.885 55.826 54.000 -0.099 0.000 0.855 241 D CB -0.273 40.480 40.800 -0.078 0.000 0.951 241 D HN 0.859 nan 8.370 nan 0.000 0.500 242 H N -4.289 114.768 119.070 -0.023 0.000 2.951 242 H HA 0.567 5.122 4.556 -0.001 0.000 0.292 242 H C 0.085 175.388 175.328 -0.043 0.000 1.412 242 H CA -0.920 55.098 56.048 -0.049 0.000 1.206 242 H CB 0.664 30.353 29.762 -0.121 0.000 1.862 242 H HN -0.005 nan 8.280 nan 0.000 0.502 243 G N -0.197 108.710 108.800 0.179 0.000 2.582 243 G HA2 0.518 4.477 3.960 -0.001 0.000 0.232 243 G HA3 0.518 4.477 3.960 -0.001 0.000 0.232 243 G C -0.721 174.333 174.900 0.258 0.000 1.458 243 G CA -0.315 44.890 45.100 0.174 0.000 1.062 243 G HN 0.806 nan 8.290 nan 0.000 0.566 244 M N -0.701 119.032 119.600 0.221 0.000 2.414 244 M HA 0.453 4.932 4.480 -0.001 0.000 0.287 244 M C -1.933 174.460 176.300 0.154 0.000 1.181 244 M CA -0.655 54.776 55.300 0.218 0.000 0.933 244 M CB 2.188 34.939 32.600 0.253 0.000 1.732 244 M HN 0.502 nan 8.290 nan 0.000 0.486 245 N N 1.314 120.094 118.700 0.133 0.000 2.525 245 N HA 0.796 5.535 4.740 -0.001 0.000 0.270 245 N C -1.558 173.995 175.510 0.073 0.000 1.321 245 N CA -0.567 52.531 53.050 0.079 0.000 0.797 245 N CB 2.148 40.670 38.487 0.059 0.000 1.529 245 N HN 0.875 nan 8.380 nan 0.000 0.491 246 A N 0.691 123.535 122.820 0.041 0.000 2.425 246 A HA 0.283 4.602 4.320 -0.001 0.000 0.249 246 A C 0.377 177.977 177.584 0.027 0.000 1.084 246 A CA 0.342 52.398 52.037 0.031 0.000 0.781 246 A CB 0.207 19.214 19.000 0.011 0.000 1.019 246 A HN 0.462 nan 8.150 nan 0.000 0.490 247 K N 1.623 122.035 120.400 0.021 0.000 2.792 247 K HA 0.181 4.501 4.320 -0.001 0.000 0.207 247 K C -0.140 176.454 176.600 -0.010 0.000 1.103 247 K CA 0.236 56.526 56.287 0.006 0.000 1.048 247 K CB 0.266 32.771 32.500 0.009 0.000 0.777 247 K HN 0.912 nan 8.250 nan 0.000 0.468 248 T N -2.073 112.477 114.554 -0.007 0.000 2.831 248 T HA 0.464 4.814 4.350 -0.001 0.000 0.287 248 T C -0.234 174.460 174.700 -0.010 0.000 1.070 248 T CA -0.826 61.267 62.100 -0.012 0.000 1.010 248 T CB 1.990 70.852 68.868 -0.011 0.000 1.264 248 T HN 0.055 nan 8.240 nan 0.000 0.532 249 D N -0.322 120.072 120.400 -0.010 0.000 2.539 249 D HA 0.532 5.171 4.640 -0.001 0.000 0.276 249 D C 1.700 177.995 176.300 -0.007 0.000 1.206 249 D CA -0.389 53.606 54.000 -0.008 0.000 1.081 249 D CB 0.164 40.960 40.800 -0.007 0.000 1.142 249 D HN 0.688 nan 8.370 nan 0.000 0.595 250 A N -0.403 122.413 122.820 -0.006 0.000 2.024 250 A HA -0.105 4.215 4.320 -0.001 0.000 0.220 250 A C 2.099 179.680 177.584 -0.005 0.000 1.164 250 A CA 1.871 53.905 52.037 -0.005 0.000 0.643 250 A CB -1.141 17.857 19.000 -0.004 0.000 0.806 250 A HN 0.632 nan 8.150 nan 0.000 0.451 251 I N -5.540 115.027 120.570 -0.005 0.000 3.956 251 I HA 0.525 4.694 4.170 -0.001 0.000 0.333 251 I C 1.135 177.248 176.117 -0.007 0.000 1.302 251 I CA 0.520 61.817 61.300 -0.005 0.000 1.122 251 I CB 0.076 38.074 38.000 -0.004 0.000 1.013 251 I HN 0.307 nan 8.210 nan 0.000 0.405 252 G N 1.905 110.700 108.800 -0.009 0.000 2.157 252 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.239 252 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.239 252 G C 0.201 175.092 174.900 -0.016 0.000 0.982 252 G CA -0.346 44.746 45.100 -0.013 0.000 0.650 252 G HN 0.497 nan 8.290 nan 0.000 0.527 253 R N 1.156 121.649 120.500 -0.011 0.000 2.490 253 R HA 0.445 4.784 4.340 -0.001 0.000 0.280 253 R C -2.347 173.944 176.300 -0.014 0.000 1.077 253 R CA -1.441 54.653 56.100 -0.010 0.000 1.065 253 R CB 0.702 31.000 30.300 -0.003 0.000 1.003 253 R HN 0.153 nan 8.270 nan 0.000 0.470 254 P HA 0.049 nan 4.420 nan 0.000 0.279 254 P C -1.044 176.233 177.300 -0.038 0.000 1.239 254 P CA -0.336 62.747 63.100 -0.029 0.000 0.789 254 P CB 0.618 32.297 31.700 -0.036 0.000 0.933 255 N N 3.289 121.959 118.700 -0.050 0.000 2.558 255 N HA 0.294 5.033 4.740 -0.001 0.000 0.233 255 N C -0.260 175.180 175.510 -0.116 0.000 1.038 255 N CA -0.055 52.957 53.050 -0.063 0.000 0.934 255 N CB 0.231 38.690 38.487 -0.047 0.000 1.175 255 N HN 0.364 nan 8.380 nan 0.000 0.512 256 I N 2.228 122.699 120.570 -0.166 0.000 2.465 256 I HA 0.380 4.550 4.170 -0.001 0.000 0.291 256 I C -0.230 175.645 176.117 -0.403 0.000 1.014 256 I CA -0.759 60.338 61.300 -0.338 0.000 1.093 256 I CB 1.955 39.654 38.000 -0.502 0.000 1.267 256 I HN 0.055 nan 8.210 nan 0.000 0.431 257 L N 5.893 126.868 121.223 -0.413 0.000 2.287 257 L HA 0.449 4.788 4.340 -0.001 0.000 0.287 257 L C -1.007 175.645 176.870 -0.363 0.000 1.022 257 L CA -0.454 54.215 54.840 -0.286 0.000 0.814 257 L CB 1.098 43.074 42.059 -0.138 0.000 1.217 257 L HN 0.468 nan 8.230 nan 0.000 0.420 258 F N 4.177 124.146 119.950 0.031 0.000 2.384 258 F HA 0.251 4.777 4.527 -0.003 0.000 0.359 258 F C 1.287 177.132 175.800 0.075 0.000 1.143 258 F CA -0.521 57.517 58.000 0.063 0.000 1.216 258 F CB 0.309 39.358 39.000 0.081 0.000 1.512 258 F HN 0.432 nan 8.300 nan 0.000 0.573 259 L N 0.500 121.832 121.223 0.180 0.000 2.129 259 L HA -0.255 4.084 4.340 -0.001 0.000 0.212 259 L C 2.521 179.504 176.870 0.189 0.000 1.087 259 L CA 1.110 56.043 54.840 0.155 0.000 0.757 259 L CB -0.364 41.751 42.059 0.093 0.000 0.896 259 L HN 0.484 nan 8.230 nan 0.000 0.434 260 Q N 0.380 120.299 119.800 0.199 0.000 2.016 260 Q HA -0.188 4.151 4.340 -0.001 0.000 0.200 260 Q C 1.833 177.924 176.000 0.152 0.000 0.978 260 Q CA 1.758 57.654 55.803 0.155 0.000 0.833 260 Q CB -0.131 28.681 28.738 0.122 0.000 0.895 260 Q HN 0.380 nan 8.270 nan 0.000 0.427 261 D N -0.105 120.395 120.400 0.168 0.000 2.116 261 D HA -0.198 4.441 4.640 -0.001 0.000 0.193 261 D C 1.965 178.354 176.300 0.149 0.000 0.998 261 D CA 1.334 55.411 54.000 0.127 0.000 0.836 261 D CB -0.322 40.546 40.800 0.113 0.000 0.951 261 D HN 0.284 nan 8.370 nan 0.000 0.449 262 L N 0.232 121.580 121.223 0.208 0.000 1.989 262 L HA -0.183 4.157 4.340 -0.001 0.000 0.211 262 L C 2.722 179.772 176.870 0.300 0.000 1.071 262 L CA 0.883 55.886 54.840 0.271 0.000 0.749 262 L CB -0.472 41.755 42.059 0.280 0.000 0.890 262 L HN 0.043 nan 8.230 nan 0.000 0.431 263 L N -0.615 120.791 121.223 0.305 0.000 2.046 263 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 263 L C 2.236 179.196 176.870 0.151 0.000 1.077 263 L CA 1.028 56.039 54.840 0.285 0.000 0.747 263 L CB -0.593 41.637 42.059 0.285 0.000 0.896 263 L HN 0.288 nan 8.230 nan 0.000 0.432 264 D N 0.109 120.576 120.400 0.112 0.000 2.178 264 D HA -0.143 4.496 4.640 -0.001 0.000 0.201 264 D C 2.122 178.425 176.300 0.005 0.000 0.980 264 D CA 1.415 55.453 54.000 0.063 0.000 0.842 264 D CB 0.068 40.898 40.800 0.051 0.000 0.948 264 D HN 0.312 nan 8.370 nan 0.000 0.472 265 A N 0.008 122.822 122.820 -0.011 0.000 2.119 265 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 265 A C 2.042 179.515 177.584 -0.184 0.000 1.152 265 A CA 1.058 53.060 52.037 -0.058 0.000 0.708 265 A CB -0.109 18.886 19.000 -0.009 0.000 0.805 265 A HN 0.112 nan 8.150 nan 0.000 0.460 266 Q N -2.019 117.575 119.800 -0.344 0.000 2.324 266 Q HA 0.109 4.448 4.340 -0.001 0.000 0.207 266 Q C 0.969 176.428 176.000 -0.901 0.000 0.928 266 Q CA 1.383 56.719 55.803 -0.779 0.000 0.890 266 Q CB -0.124 27.725 28.738 -1.481 0.000 1.001 266 Q HN 0.697 nan 8.270 nan 0.000 0.517 267 Y N -1.320 118.869 120.300 -0.184 0.000 2.430 267 Y HA 0.507 5.056 4.550 -0.002 0.000 0.254 267 Y C 0.669 176.528 175.900 -0.069 0.000 1.088 267 Y CA 0.045 58.074 58.100 -0.118 0.000 1.267 267 Y CB 1.537 39.937 38.460 -0.100 0.000 1.204 267 Y HN 0.125 nan 8.280 nan 0.000 0.515 268 G N 1.002 109.831 108.800 0.048 0.000 2.663 268 G HA2 0.123 4.082 3.960 -0.001 0.000 0.686 268 G HA3 0.123 4.082 3.960 -0.001 0.000 0.686 268 G C -0.397 174.533 174.900 0.049 0.000 1.246 268 G CA -0.996 44.123 45.100 0.032 0.000 0.795 268 G HN 0.520 nan 8.290 nan 0.000 0.627 269 A N 1.213 124.049 122.820 0.027 0.000 2.561 269 A HA 0.499 4.818 4.320 -0.001 0.000 0.234 269 A C 1.573 179.171 177.584 0.024 0.000 1.055 269 A CA 1.889 53.940 52.037 0.023 0.000 0.756 269 A CB 0.009 19.016 19.000 0.011 0.000 0.986 269 A HN 2.003 nan 8.150 nan 0.000 0.505 270 Q N -0.176 119.635 119.800 0.018 0.000 2.406 270 Q HA -0.206 4.133 4.340 -0.001 0.000 0.236 270 Q C 0.604 176.611 176.000 0.012 0.000 0.799 270 Q CA 1.506 57.315 55.803 0.009 0.000 1.286 270 Q CB -1.138 27.603 28.738 0.006 0.000 1.615 270 Q HN 0.862 nan 8.270 nan 0.000 0.621 271 R N 0.509 121.024 120.500 0.025 0.000 2.317 271 R HA 0.148 4.487 4.340 -0.001 0.000 0.208 271 R C 1.199 177.491 176.300 -0.014 0.000 0.914 271 R CA 1.281 57.388 56.100 0.010 0.000 1.060 271 R CB 0.367 30.679 30.300 0.021 0.000 1.015 271 R HN 0.546 nan 8.270 nan 0.000 0.498 272 T N -2.965 111.590 114.554 0.002 0.000 2.894 272 T HA 0.547 4.896 4.350 -0.001 0.000 0.309 272 T C -0.952 173.746 174.700 -0.005 0.000 1.208 272 T CA -0.933 61.168 62.100 0.001 0.000 1.016 272 T CB 2.732 71.607 68.868 0.012 0.000 1.192 272 T HN 0.008 nan 8.240 nan 0.000 0.491 273 R N 2.049 122.545 120.500 -0.006 0.000 2.451 273 R HA 0.633 4.972 4.340 -0.001 0.000 0.307 273 R C -1.543 174.774 176.300 0.028 0.000 0.965 273 R CA -0.659 55.408 56.100 -0.054 0.000 0.865 273 R CB 1.752 31.893 30.300 -0.264 0.000 1.174 273 R HN 0.643 nan 8.270 nan 0.000 0.455 274 V N 6.315 126.249 119.914 0.033 0.000 2.383 274 V HA 0.363 4.482 4.120 -0.001 0.000 0.275 274 V C -0.388 175.763 176.094 0.094 0.000 1.036 274 V CA -0.648 61.694 62.300 0.071 0.000 0.889 274 V CB 1.377 33.251 31.823 0.084 0.000 0.985 274 V HN 0.583 nan 8.190 nan 0.000 0.459 275 L N 6.237 127.531 121.223 0.119 0.000 2.322 275 L HA 0.558 4.898 4.340 -0.001 0.000 0.281 275 L C -0.326 176.613 176.870 0.115 0.000 1.014 275 L CA 0.002 54.936 54.840 0.157 0.000 0.815 275 L CB 1.764 43.896 42.059 0.122 0.000 1.247 275 L HN 0.493 nan 8.230 nan 0.000 0.421 276 L N 5.513 126.856 121.223 0.200 0.000 2.371 276 L HA 0.376 4.715 4.340 -0.001 0.000 0.262 276 L C -1.667 175.288 176.870 0.142 0.000 1.054 276 L CA -1.342 53.593 54.840 0.159 0.000 0.924 276 L CB 0.802 42.953 42.059 0.153 0.000 1.295 276 L HN 0.422 nan 8.230 nan 0.000 0.441 277 P HA -0.072 nan 4.420 nan 0.000 0.244 277 P C 1.533 178.652 177.300 -0.303 0.000 1.211 277 P CA 0.524 63.541 63.100 -0.138 0.000 0.760 277 P CB 0.203 31.850 31.700 -0.089 0.000 0.961 278 I N -0.579 119.640 120.570 -0.586 0.000 2.335 278 I HA -0.145 4.025 4.170 -0.001 0.000 0.251 278 I C 0.515 176.343 176.117 -0.482 0.000 1.129 278 I CA 1.455 62.092 61.300 -1.104 0.000 1.402 278 I CB 0.098 37.565 38.000 -0.888 0.000 1.069 278 I HN 0.099 nan 8.210 nan 0.000 0.424 279 T N -3.346 111.092 114.554 -0.193 0.000 2.647 279 T HA 0.285 4.634 4.350 -0.001 0.000 0.295 279 T C -0.786 173.890 174.700 -0.040 0.000 1.126 279 T CA -0.981 61.057 62.100 -0.103 0.000 1.040 279 T CB 0.842 69.627 68.868 -0.138 0.000 1.472 279 T HN -0.114 nan 8.240 nan 0.000 0.500 280 D N 2.439 122.693 120.400 -0.243 0.000 2.423 280 D HA 0.187 4.826 4.640 -0.001 0.000 0.238 280 D C -1.244 174.518 176.300 -0.895 0.000 1.142 280 D CA -1.370 52.254 54.000 -0.626 0.000 0.884 280 D CB 1.005 41.218 40.800 -0.978 0.000 1.199 280 D HN 0.270 nan 8.370 nan 0.000 0.438 281 P HA -0.215 nan 4.420 nan 0.000 0.217 281 P C 1.246 178.190 177.300 -0.594 0.000 1.148 281 P CA 1.610 63.956 63.100 -1.256 0.000 0.834 281 P CB -0.192 30.688 31.700 -1.366 0.000 0.783 282 Y N -1.019 119.086 120.300 -0.325 0.000 2.373 282 Y HA 0.134 4.682 4.550 -0.003 0.000 0.293 282 Y C 1.102 176.894 175.900 -0.180 0.000 1.129 282 Y CA -0.827 57.148 58.100 -0.208 0.000 1.226 282 Y CB -1.947 36.418 38.460 -0.158 0.000 1.000 282 Y HN -0.351 nan 8.280 nan 0.000 0.549 283 V N 3.155 123.041 119.914 -0.046 0.000 2.557 283 V HA -0.010 4.109 4.120 -0.001 0.000 0.301 283 V C 1.239 177.220 176.094 -0.189 0.000 1.026 283 V CA 0.445 62.660 62.300 -0.142 0.000 1.137 283 V CB 0.911 32.557 31.823 -0.295 0.000 0.917 283 V HN 0.439 nan 8.190 nan 0.000 0.484 284 V N 1.452 121.269 119.914 -0.161 0.000 3.556 284 V HA 0.246 4.365 4.120 -0.001 0.000 0.287 284 V C 0.860 177.005 176.094 0.085 0.000 1.422 284 V CA 0.258 62.515 62.300 -0.071 0.000 1.038 284 V CB -0.893 30.887 31.823 -0.071 0.000 0.850 284 V HN 0.990 nan 8.190 nan 0.000 0.437 285 H N 0.384 119.494 119.070 0.066 0.000 2.465 285 H HA 0.272 4.828 4.556 -0.000 0.000 0.367 285 H C 1.763 177.104 175.328 0.022 0.000 1.737 285 H CA 0.528 56.599 56.048 0.039 0.000 1.447 285 H CB -0.360 29.361 29.762 -0.068 0.000 1.620 285 H HN 0.396 nan 8.280 nan 0.000 0.587 286 H N -1.610 117.598 119.070 0.230 0.000 2.518 286 H HA -0.038 4.515 4.556 -0.004 0.000 0.289 286 H C 1.844 177.202 175.328 0.049 0.000 1.051 286 H CA 0.945 57.040 56.048 0.078 0.000 1.280 286 H CB -0.948 28.825 29.762 0.019 0.000 1.380 286 H HN 0.810 nan 8.280 nan 0.000 0.566 287 G N 0.526 109.167 108.800 -0.265 0.000 2.535 287 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.218 287 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.218 287 G C 1.581 176.358 174.900 -0.206 0.000 1.122 287 G CA 0.586 45.560 45.100 -0.210 0.000 0.769 287 G HN 0.645 nan 8.290 nan 0.000 0.549 288 A N -0.207 122.502 122.820 -0.185 0.000 2.337 288 A HA 0.586 4.905 4.320 -0.001 0.000 0.227 288 A C 0.542 178.082 177.584 -0.074 0.000 1.259 288 A CA -0.263 51.704 52.037 -0.117 0.000 0.870 288 A CB -0.018 18.960 19.000 -0.036 0.000 0.927 288 A HN 0.268 nan 8.150 nan 0.000 0.497 289 L N 0.334 121.491 121.223 -0.110 0.000 2.280 289 L HA 0.668 5.008 4.340 -0.001 0.000 0.287 289 L C 0.472 177.284 176.870 -0.097 0.000 1.023 289 L CA -0.438 54.333 54.840 -0.115 0.000 0.819 289 L CB 1.600 43.570 42.059 -0.148 0.000 1.212 289 L HN 0.230 nan 8.230 nan 0.000 0.420 290 G N 0.650 109.423 108.800 -0.045 0.000 2.733 290 G HA2 0.398 4.357 3.960 -0.001 0.000 0.288 290 G HA3 0.398 4.357 3.960 -0.001 0.000 0.288 290 G C -0.228 174.724 174.900 0.087 0.000 1.373 290 G CA -0.383 44.730 45.100 0.021 0.000 0.895 290 G HN 0.382 nan 8.290 nan 0.000 0.479 291 S N -0.496 115.277 115.700 0.121 0.000 2.743 291 S HA 0.229 4.698 4.470 -0.001 0.000 0.230 291 S C -0.719 173.969 174.600 0.147 0.000 0.950 291 S CA -0.006 58.248 58.200 0.091 0.000 0.976 291 S CB -0.575 62.660 63.200 0.058 0.000 0.779 291 S HN 0.460 nan 8.310 nan 0.000 0.487 292 Y N 0.767 121.103 120.300 0.060 0.000 2.470 292 Y HA 0.666 5.215 4.550 -0.002 0.000 0.341 292 Y C -1.053 174.932 175.900 0.141 0.000 1.021 292 Y CA -1.211 56.910 58.100 0.035 0.000 1.025 292 Y CB 0.836 39.199 38.460 -0.161 0.000 1.266 292 Y HN -0.007 nan 8.280 nan 0.000 0.448 293 A N 3.279 125.906 122.820 -0.323 0.000 2.606 293 A HA 0.718 5.038 4.320 -0.001 0.000 0.293 293 A C -1.437 175.846 177.584 -0.502 0.000 1.082 293 A CA -0.573 51.314 52.037 -0.249 0.000 0.685 293 A CB 1.860 20.815 19.000 -0.075 0.000 1.284 293 A HN 0.722 nan 8.150 nan 0.000 0.408 294 T N 0.257 114.649 114.554 -0.270 0.000 2.863 294 T HA 0.652 5.001 4.350 -0.001 0.000 0.285 294 T C -1.362 173.267 174.700 -0.118 0.000 1.009 294 T CA -0.280 61.677 62.100 -0.238 0.000 0.989 294 T CB 1.045 69.809 68.868 -0.173 0.000 1.004 294 T HN 0.996 nan 8.240 nan 0.000 0.455 295 V N 4.890 124.702 119.914 -0.170 0.000 2.638 295 V HA 0.494 4.614 4.120 -0.001 0.000 0.306 295 V C -1.407 174.584 176.094 -0.171 0.000 1.052 295 V CA -0.987 61.265 62.300 -0.080 0.000 0.885 295 V CB 1.578 33.374 31.823 -0.046 0.000 0.999 295 V HN 0.891 nan 8.190 nan 0.000 0.424 296 Y N 4.200 124.471 120.300 -0.047 0.000 2.331 296 Y HA 0.642 5.191 4.550 -0.002 0.000 0.338 296 Y C -0.182 175.688 175.900 -0.050 0.000 0.992 296 Y CA -0.719 57.364 58.100 -0.028 0.000 1.121 296 Y CB 1.608 40.050 38.460 -0.030 0.000 1.184 296 Y HN 0.394 nan 8.280 nan 0.000 0.469 297 L N 4.062 125.333 121.223 0.080 0.000 2.334 297 L HA 0.479 4.818 4.340 -0.001 0.000 0.275 297 L C 0.205 177.093 176.870 0.030 0.000 1.036 297 L CA -0.847 53.996 54.840 0.005 0.000 0.807 297 L CB 1.203 43.234 42.059 -0.047 0.000 1.231 297 L HN 0.600 nan 8.230 nan 0.000 0.438 298 R N 1.236 121.734 120.500 -0.004 0.000 2.637 298 R HA 0.104 4.443 4.340 -0.001 0.000 0.269 298 R C 0.543 176.845 176.300 0.002 0.000 1.089 298 R CA -0.648 55.462 56.100 0.016 0.000 1.177 298 R CB 0.563 30.867 30.300 0.006 0.000 1.091 298 R HN 0.608 nan 8.270 nan 0.000 0.540 299 D N 1.443 121.853 120.400 0.018 0.000 2.158 299 D HA -0.202 4.437 4.640 -0.001 0.000 0.197 299 D C 1.640 177.937 176.300 -0.005 0.000 0.995 299 D CA 1.791 55.798 54.000 0.011 0.000 0.846 299 D CB -0.128 40.685 40.800 0.021 0.000 0.941 299 D HN 0.634 nan 8.370 nan 0.000 0.456 300 A N 1.050 123.866 122.820 -0.007 0.000 1.908 300 A HA -0.121 4.199 4.320 -0.001 0.000 0.218 300 A C 1.411 178.975 177.584 -0.033 0.000 1.181 300 A CA 0.700 52.731 52.037 -0.010 0.000 0.627 300 A CB -0.581 18.419 19.000 0.000 0.000 0.818 300 A HN 0.130 nan 8.150 nan 0.000 0.445 301 V N 2.330 122.197 119.914 -0.079 0.000 2.450 301 V HA 0.168 4.287 4.120 -0.001 0.000 0.281 301 V C -2.271 173.746 176.094 -0.127 0.000 1.019 301 V CA -1.116 61.082 62.300 -0.170 0.000 1.062 301 V CB 0.133 31.751 31.823 -0.342 0.000 0.979 301 V HN 0.335 nan 8.190 nan 0.000 0.477 302 P HA 0.136 nan 4.420 nan 0.000 0.274 302 P C 0.604 177.870 177.300 -0.056 0.000 1.291 302 P CA -0.064 63.010 63.100 -0.045 0.000 0.815 302 P CB 0.828 32.528 31.700 0.000 0.000 0.897 303 Q N 3.811 123.583 119.800 -0.047 0.000 2.118 303 Q HA -0.284 4.055 4.340 -0.001 0.000 0.211 303 Q C 2.126 178.122 176.000 -0.007 0.000 0.998 303 Q CA 1.834 57.614 55.803 -0.038 0.000 0.872 303 Q CB -0.065 28.657 28.738 -0.027 0.000 0.925 303 Q HN 0.299 nan 8.270 nan 0.000 0.414 304 R N -0.092 120.413 120.500 0.008 0.000 2.091 304 R HA -0.172 4.167 4.340 -0.001 0.000 0.238 304 R C 1.662 177.996 176.300 0.058 0.000 1.136 304 R CA 1.926 58.043 56.100 0.027 0.000 0.959 304 R CB -0.072 30.243 30.300 0.025 0.000 0.856 304 R HN 0.398 nan 8.270 nan 0.000 0.437 305 D N 0.130 120.572 120.400 0.070 0.000 2.117 305 D HA -0.156 4.483 4.640 -0.001 0.000 0.197 305 D C 1.719 178.152 176.300 0.222 0.000 0.987 305 D CA 1.586 55.670 54.000 0.139 0.000 0.829 305 D CB -0.277 40.619 40.800 0.160 0.000 0.961 305 D HN 0.402 nan 8.370 nan 0.000 0.460 306 A N 0.714 123.617 122.820 0.140 0.000 1.933 306 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 306 A C 2.385 180.090 177.584 0.202 0.000 1.175 306 A CA 0.733 52.886 52.037 0.193 0.000 0.628 306 A CB -0.633 18.345 19.000 -0.037 0.000 0.814 306 A HN 0.177 nan 8.150 nan 0.000 0.444 307 I N -0.133 120.501 120.570 0.107 0.000 2.179 307 I HA -0.237 3.932 4.170 -0.001 0.000 0.242 307 I C 1.854 178.023 176.117 0.086 0.000 1.088 307 I CA 1.533 62.877 61.300 0.072 0.000 1.357 307 I CB -0.409 37.613 38.000 0.037 0.000 1.051 307 I HN 0.240 nan 8.210 nan 0.000 0.409 308 D N 0.572 121.041 120.400 0.114 0.000 2.117 308 D HA -0.209 4.430 4.640 -0.001 0.000 0.197 308 D C 1.863 178.245 176.300 0.137 0.000 0.987 308 D CA 1.172 55.236 54.000 0.107 0.000 0.829 308 D CB -0.424 40.438 40.800 0.104 0.000 0.961 308 D HN 0.240 nan 8.370 nan 0.000 0.460 309 F N 1.391 121.387 119.950 0.077 0.000 2.046 309 F HA -0.161 4.365 4.527 -0.002 0.000 0.297 309 F C 2.065 177.900 175.800 0.059 0.000 1.123 309 F CA 1.324 59.370 58.000 0.076 0.000 1.199 309 F CB -0.572 38.514 39.000 0.143 0.000 0.972 309 F HN -0.106 nan 8.300 nan 0.000 0.474 310 L N 0.135 121.251 121.223 -0.179 0.000 2.017 310 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 310 L C 2.814 179.561 176.870 -0.206 0.000 1.073 310 L CA 1.298 55.971 54.840 -0.278 0.000 0.745 310 L CB -1.231 40.803 42.059 -0.042 0.000 0.894 310 L HN 0.283 nan 8.230 nan 0.000 0.432 311 A N 0.063 122.826 122.820 -0.094 0.000 2.024 311 A HA -0.146 4.173 4.320 -0.001 0.000 0.220 311 A C 2.236 179.771 177.584 -0.082 0.000 1.164 311 A CA 1.720 53.720 52.037 -0.063 0.000 0.643 311 A CB -1.032 17.956 19.000 -0.019 0.000 0.806 311 A HN 0.484 nan 8.150 nan 0.000 0.451 312 G N -1.035 107.696 108.800 -0.116 0.000 2.813 312 G HA2 0.287 4.247 3.960 -0.001 0.000 0.209 312 G HA3 0.287 4.247 3.960 -0.001 0.000 0.209 312 G C 0.507 175.318 174.900 -0.148 0.000 1.150 312 G CA -0.162 44.875 45.100 -0.105 0.000 0.785 312 G HN 0.443 nan 8.290 nan 0.000 0.535 313 I N 1.951 122.389 120.570 -0.219 0.000 2.416 313 I HA 0.306 4.475 4.170 -0.001 0.000 0.288 313 I C 0.931 176.980 176.117 -0.113 0.000 1.051 313 I CA -0.701 60.483 61.300 -0.194 0.000 1.375 313 I CB 1.428 39.268 38.000 -0.267 0.000 1.407 313 I HN 0.054 nan 8.210 nan 0.000 0.516 314 A N 5.031 127.804 122.820 -0.079 0.000 2.548 314 A HA 0.429 4.749 4.320 -0.001 0.000 0.247 314 A C 1.195 178.746 177.584 -0.054 0.000 1.067 314 A CA 0.723 52.728 52.037 -0.054 0.000 0.757 314 A CB -0.346 18.631 19.000 -0.037 0.000 0.996 314 A HN 1.198 nan 8.150 nan 0.000 0.504 315 G N 1.149 109.921 108.800 -0.047 0.000 2.231 315 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.206 315 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.206 315 G C 0.113 174.984 174.900 -0.047 0.000 0.996 315 G CA -0.026 45.046 45.100 -0.046 0.000 0.645 315 G HN 1.348 nan 8.290 nan 0.000 0.498 316 V N 1.935 121.816 119.914 -0.055 0.000 2.385 316 V HA 0.378 4.497 4.120 -0.001 0.000 0.269 316 V C 1.414 177.489 176.094 -0.032 0.000 1.043 316 V CA 0.596 62.865 62.300 -0.051 0.000 0.906 316 V CB 1.494 33.273 31.823 -0.074 0.000 0.995 316 V HN 0.474 nan 8.190 nan 0.000 0.467 317 E N 4.030 124.221 120.200 -0.015 0.000 2.076 317 E HA 0.147 4.496 4.350 -0.001 0.000 0.190 317 E C 0.610 177.214 176.600 0.007 0.000 0.979 317 E CA 1.053 57.453 56.400 0.000 0.000 0.807 317 E CB 0.401 30.110 29.700 0.015 0.000 0.761 317 E HN 0.814 nan 8.360 nan 0.000 0.454 318 A N -0.192 122.634 122.820 0.010 0.000 2.604 318 A HA 0.513 4.832 4.320 -0.001 0.000 0.295 318 A C -1.516 176.073 177.584 0.008 0.000 1.067 318 A CA -0.687 51.361 52.037 0.018 0.000 0.683 318 A CB 1.989 21.020 19.000 0.053 0.000 1.281 318 A HN -0.014 nan 8.150 nan 0.000 0.407 319 V N 2.130 122.046 119.914 0.003 0.000 2.443 319 V HA 0.608 4.727 4.120 -0.001 0.000 0.293 319 V C -0.478 175.618 176.094 0.003 0.000 1.021 319 V CA -0.264 62.032 62.300 -0.007 0.000 0.848 319 V CB 0.923 32.739 31.823 -0.012 0.000 0.998 319 V HN 0.745 nan 8.190 nan 0.000 0.424 320 L N 3.279 124.505 121.223 0.005 0.000 2.354 320 L HA 0.744 5.083 4.340 -0.001 0.000 0.264 320 L C 0.564 177.427 176.870 -0.012 0.000 1.008 320 L CA -0.714 54.130 54.840 0.007 0.000 0.819 320 L CB 2.440 44.519 42.059 0.033 0.000 1.339 320 L HN 0.715 nan 8.230 nan 0.000 0.420 321 T N -2.485 112.059 114.554 -0.018 0.000 2.849 321 T HA 0.214 4.563 4.350 -0.001 0.000 0.284 321 T C 1.057 175.741 174.700 -0.025 0.000 1.004 321 T CA -0.381 61.702 62.100 -0.028 0.000 1.021 321 T CB 1.604 70.458 68.868 -0.024 0.000 1.013 321 T HN 0.762 nan 8.240 nan 0.000 0.527 322 R N 0.933 121.411 120.500 -0.037 0.000 2.122 322 R HA -0.202 4.137 4.340 -0.001 0.000 0.236 322 R C 2.639 178.931 176.300 -0.014 0.000 1.129 322 R CA 2.576 58.659 56.100 -0.029 0.000 0.925 322 R CB -1.068 29.208 30.300 -0.039 0.000 0.850 322 R HN 0.880 nan 8.270 nan 0.000 0.431 323 S N 0.108 115.796 115.700 -0.020 0.000 2.368 323 S HA -0.289 4.181 4.470 -0.001 0.000 0.226 323 S C 1.982 176.561 174.600 -0.035 0.000 1.044 323 S CA 1.876 60.062 58.200 -0.023 0.000 1.062 323 S CB -0.479 62.709 63.200 -0.021 0.000 0.931 323 S HN 0.628 nan 8.310 nan 0.000 0.440 324 Q N 1.212 120.988 119.800 -0.041 0.000 2.084 324 Q HA 0.039 4.378 4.340 -0.001 0.000 0.202 324 Q C 2.700 178.636 176.000 -0.106 0.000 0.978 324 Q CA 1.473 57.234 55.803 -0.071 0.000 0.844 324 Q CB -0.598 28.103 28.738 -0.063 0.000 0.898 324 Q HN 0.796 nan 8.270 nan 0.000 0.426 325 A N 0.428 123.226 122.820 -0.037 0.000 1.933 325 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 325 A C 2.284 179.896 177.584 0.048 0.000 1.175 325 A CA 1.259 53.323 52.037 0.046 0.000 0.628 325 A CB -0.879 18.220 19.000 0.166 0.000 0.814 325 A HN 0.502 nan 8.150 nan 0.000 0.444 326 C N -1.195 118.116 119.300 0.019 0.000 2.440 326 C HA -0.059 4.401 4.460 -0.001 0.000 0.278 326 C C 2.847 177.825 174.990 -0.021 0.000 1.295 326 C CA 1.226 60.255 59.018 0.018 0.000 1.738 326 C CB -1.130 26.611 27.740 0.001 0.000 1.987 326 C HN 0.817 nan 8.230 nan 0.000 0.492 327 Q N 0.933 120.694 119.800 -0.065 0.000 2.049 327 Q HA -0.166 4.173 4.340 -0.001 0.000 0.198 327 Q C 2.446 178.367 176.000 -0.132 0.000 0.971 327 Q CA 1.367 57.122 55.803 -0.080 0.000 0.833 327 Q CB -0.246 28.442 28.738 -0.083 0.000 0.896 327 Q HN 0.625 nan 8.270 nan 0.000 0.434 328 R N -0.939 119.402 120.500 -0.265 0.000 2.073 328 R HA -0.116 4.223 4.340 -0.001 0.000 0.234 328 R C 1.036 177.071 176.300 -0.441 0.000 1.134 328 R CA 1.743 57.560 56.100 -0.471 0.000 0.952 328 R CB -0.060 29.742 30.300 -0.829 0.000 0.850 328 R HN 0.308 nan 8.270 nan 0.000 0.433 329 F N 0.644 120.601 119.950 0.012 0.000 2.678 329 F HA 0.309 4.836 4.527 -0.000 0.000 0.305 329 F C -0.309 175.491 175.800 -0.000 0.000 1.090 329 F CA -0.340 57.666 58.000 0.011 0.000 1.272 329 F CB 0.262 39.264 39.000 0.004 0.000 1.060 329 F HN 0.016 nan 8.300 nan 0.000 0.576 330 E N 1.322 121.588 120.200 0.110 0.000 2.260 330 E HA -0.187 4.162 4.350 -0.001 0.000 0.204 330 E C -0.783 175.825 176.600 0.013 0.000 1.319 330 E CA 0.056 56.482 56.400 0.043 0.000 0.679 330 E CB -1.782 27.942 29.700 0.039 0.000 1.158 330 E HN 0.348 nan 8.360 nan 0.000 0.376 331 L N 0.516 121.756 121.223 0.028 0.000 2.303 331 L HA 0.636 4.975 4.340 -0.001 0.000 0.266 331 L C -2.079 174.772 176.870 -0.031 0.000 1.011 331 L CA -2.553 52.286 54.840 -0.001 0.000 0.818 331 L CB 1.157 43.256 42.059 0.066 0.000 1.326 331 L HN -0.073 nan 8.230 nan 0.000 0.435 332 P HA 0.088 nan 4.420 nan 0.000 0.282 332 P C -0.125 177.145 177.300 -0.050 0.000 1.274 332 P CA -0.369 62.691 63.100 -0.066 0.000 0.770 332 P CB 0.666 32.308 31.700 -0.097 0.000 0.867 333 E N 2.919 123.098 120.200 -0.035 0.000 2.265 333 E HA -0.217 4.133 4.350 -0.001 0.000 0.196 333 E C 0.688 177.278 176.600 -0.017 0.000 0.996 333 E CA 1.042 57.430 56.400 -0.020 0.000 0.832 333 E CB -0.381 29.312 29.700 -0.011 0.000 0.756 333 E HN 0.419 nan 8.360 nan 0.000 0.491 334 D N 1.106 121.480 120.400 -0.043 0.000 2.347 334 D HA -0.122 4.518 4.640 -0.001 0.000 0.213 334 D C 1.300 177.533 176.300 -0.112 0.000 0.985 334 D CA 0.310 54.287 54.000 -0.039 0.000 0.879 334 D CB -0.128 40.647 40.800 -0.042 0.000 0.919 334 D HN 0.252 nan 8.370 nan 0.000 0.526 335 R N 0.508 120.891 120.500 -0.196 0.000 2.546 335 R HA 0.357 4.696 4.340 -0.001 0.000 0.320 335 R C 0.561 176.852 176.300 -0.015 0.000 1.021 335 R CA -0.235 55.638 56.100 -0.378 0.000 1.088 335 R CB 0.588 30.485 30.300 -0.671 0.000 1.278 335 R HN 0.329 nan 8.270 nan 0.000 0.557 336 I N -3.824 116.769 120.570 0.039 0.000 3.023 336 I HA 0.722 4.892 4.170 -0.001 0.000 0.312 336 I C 0.367 176.421 176.117 -0.105 0.000 1.056 336 I CA -1.320 60.005 61.300 0.041 0.000 1.033 336 I CB 1.385 39.404 38.000 0.032 0.000 1.233 336 I HN -0.117 nan 8.210 nan 0.000 0.462 337 G N 0.703 109.260 108.800 -0.404 0.000 2.588 337 G HA2 0.142 4.101 3.960 -0.001 0.000 0.281 337 G HA3 0.142 4.101 3.960 -0.001 0.000 0.281 337 G C 0.154 174.736 174.900 -0.529 0.000 1.236 337 G CA -0.287 44.146 45.100 -1.112 0.000 0.969 337 G HN 0.828 nan 8.290 nan 0.000 0.504 338 D N -1.432 118.678 120.400 -0.484 0.000 2.219 338 D HA -0.029 4.610 4.640 -0.001 0.000 0.205 338 D C 0.290 176.498 176.300 -0.153 0.000 0.970 338 D CA 1.028 54.908 54.000 -0.199 0.000 0.851 338 D CB 0.217 40.952 40.800 -0.109 0.000 0.943 338 D HN -0.127 nan 8.370 nan 0.000 0.488 339 L N -0.190 120.918 121.223 -0.192 0.000 2.393 339 L HA 0.365 4.704 4.340 -0.001 0.000 0.260 339 L C -0.696 176.076 176.870 -0.163 0.000 1.002 339 L CA -0.993 53.768 54.840 -0.132 0.000 0.818 339 L CB 2.612 44.613 42.059 -0.096 0.000 1.369 339 L HN -0.384 nan 8.230 nan 0.000 0.412 340 V N 2.628 122.467 119.914 -0.125 0.000 2.531 340 V HA 0.632 4.751 4.120 -0.001 0.000 0.301 340 V C -0.782 175.217 176.094 -0.159 0.000 1.034 340 V CA -0.687 61.502 62.300 -0.185 0.000 0.865 340 V CB 2.224 33.999 31.823 -0.080 0.000 0.995 340 V HN 0.434 nan 8.190 nan 0.000 0.424 341 V N 6.785 126.548 119.914 -0.251 0.000 2.459 341 V HA 0.567 4.687 4.120 -0.001 0.000 0.295 341 V C -0.341 175.660 176.094 -0.156 0.000 1.029 341 V CA -0.556 61.650 62.300 -0.156 0.000 0.874 341 V CB 1.752 33.504 31.823 -0.119 0.000 0.985 341 V HN 0.627 nan 8.190 nan 0.000 0.438 342 L N 3.729 124.920 121.223 -0.053 0.000 2.346 342 L HA 0.858 5.197 4.340 -0.001 0.000 0.276 342 L C 0.610 177.477 176.870 -0.005 0.000 1.006 342 L CA -0.344 54.495 54.840 -0.002 0.000 0.817 342 L CB 2.042 44.131 42.059 0.051 0.000 1.272 342 L HN 0.768 nan 8.230 nan 0.000 0.421 343 G N 0.983 109.785 108.800 0.004 0.000 2.471 343 G HA2 0.500 4.460 3.960 -0.001 0.000 0.332 343 G HA3 0.500 4.460 3.960 -0.001 0.000 0.332 343 G C -0.586 174.315 174.900 0.001 0.000 1.176 343 G CA -0.486 44.609 45.100 -0.009 0.000 0.949 343 G HN 0.600 nan 8.290 nan 0.000 0.488 344 E N -0.284 119.912 120.200 -0.007 0.000 2.455 344 E HA -0.009 4.340 4.350 -0.001 0.000 0.259 344 E C 1.431 178.034 176.600 0.005 0.000 1.245 344 E CA -0.361 56.039 56.400 -0.001 0.000 1.013 344 E CB 1.151 30.846 29.700 -0.008 0.000 0.978 344 E HN 0.560 nan 8.360 nan 0.000 0.479 345 R N 0.667 121.173 120.500 0.009 0.000 2.113 345 R HA -0.208 4.131 4.340 -0.001 0.000 0.244 345 R C 1.621 177.929 176.300 0.013 0.000 1.142 345 R CA 1.646 57.755 56.100 0.015 0.000 0.953 345 R CB -0.186 30.121 30.300 0.012 0.000 0.860 345 R HN 0.484 nan 8.270 nan 0.000 0.438 346 L N 0.118 121.343 121.223 0.003 0.000 2.667 346 L HA 0.226 4.565 4.340 -0.001 0.000 0.232 346 L C -0.108 176.755 176.870 -0.012 0.000 1.138 346 L CA -0.234 54.605 54.840 -0.001 0.000 0.921 346 L CB 0.927 42.983 42.059 -0.004 0.000 1.180 346 L HN 0.012 nan 8.230 nan 0.000 0.487 347 T N 0.943 115.487 114.554 -0.016 0.000 2.856 347 T HA 0.562 4.912 4.350 -0.001 0.000 0.283 347 T C -0.175 174.502 174.700 -0.039 0.000 1.008 347 T CA -0.461 61.617 62.100 -0.037 0.000 0.997 347 T CB 2.742 71.584 68.868 -0.043 0.000 0.992 347 T HN -0.019 nan 8.240 nan 0.000 0.454 348 V N 0.941 120.810 119.914 -0.074 0.000 3.019 348 V HA 0.818 4.938 4.120 -0.001 0.000 0.317 348 V C -1.109 174.902 176.094 -0.138 0.000 1.094 348 V CA -1.235 61.014 62.300 -0.085 0.000 1.000 348 V CB 1.421 33.185 31.823 -0.097 0.000 1.060 348 V HN 0.775 nan 8.190 nan 0.000 0.443 349 L N 2.493 123.647 121.223 -0.114 0.000 2.356 349 L HA 0.909 5.248 4.340 -0.001 0.000 0.277 349 L C 0.539 177.325 176.870 -0.139 0.000 0.996 349 L CA -0.245 54.517 54.840 -0.131 0.000 0.822 349 L CB 1.481 43.508 42.059 -0.055 0.000 1.256 349 L HN 0.997 nan 8.230 nan 0.000 0.413 350 G N 0.528 109.197 108.800 -0.218 0.000 2.932 350 G HA2 0.601 4.560 3.960 -0.001 0.000 0.283 350 G HA3 0.601 4.560 3.960 -0.001 0.000 0.283 350 G C 0.238 175.283 174.900 0.241 0.000 1.336 350 G CA 0.230 45.284 45.100 -0.077 0.000 1.056 350 G HN 0.619 nan 8.290 nan 0.000 0.522 351 S N -0.813 115.246 115.700 0.599 0.000 2.650 351 S HA 0.626 5.095 4.470 -0.001 0.000 0.182 351 S C 0.853 175.715 174.600 0.437 0.000 0.832 351 S CA 0.740 59.170 58.200 0.383 0.000 0.860 351 S CB -0.104 63.227 63.200 0.219 0.000 0.818 351 S HN 1.537 nan 8.310 nan 0.000 0.600 352 A N 0.299 123.317 122.820 0.330 0.000 2.371 352 A HA 0.883 5.203 4.320 -0.001 0.000 0.311 352 A C 0.985 178.522 177.584 -0.078 0.000 1.068 352 A CA -0.330 51.771 52.037 0.106 0.000 0.744 352 A CB 1.134 20.137 19.000 0.005 0.000 1.239 352 A HN 0.839 nan 8.150 nan 0.000 0.435 353 A N 1.058 123.489 122.820 -0.649 0.000 1.892 353 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 353 A C 1.719 179.140 177.584 -0.272 0.000 1.188 353 A CA 2.247 53.764 52.037 -0.867 0.000 0.631 353 A CB -0.714 17.732 19.000 -0.924 0.000 0.822 353 A HN 0.904 nan 8.150 nan 0.000 0.447 354 D N -0.646 119.632 120.400 -0.203 0.000 2.191 354 D HA -0.201 4.439 4.640 -0.001 0.000 0.195 354 D C 1.932 178.180 176.300 -0.086 0.000 1.003 354 D CA 1.695 55.627 54.000 -0.113 0.000 0.867 354 D CB -0.034 40.708 40.800 -0.096 0.000 0.926 354 D HN 0.541 nan 8.370 nan 0.000 0.450 355 K N -0.511 119.821 120.400 -0.114 0.000 2.021 355 K HA -0.035 4.284 4.320 -0.001 0.000 0.205 355 K C 1.061 177.554 176.600 -0.179 0.000 1.047 355 K CA 0.416 56.598 56.287 -0.175 0.000 0.943 355 K CB -0.070 32.262 32.500 -0.280 0.000 0.725 355 K HN 0.313 nan 8.250 nan 0.000 0.439 356 H N 0.860 119.960 119.070 0.050 0.000 2.771 356 H HA 0.018 4.571 4.556 -0.004 0.000 0.364 356 H C -0.605 174.767 175.328 0.073 0.000 1.133 356 H CA 0.495 56.598 56.048 0.092 0.000 1.423 356 H CB 0.842 30.725 29.762 0.202 0.000 1.425 356 H HN 0.088 nan 8.280 nan 0.000 0.606 357 D N 2.655 123.196 120.400 0.236 0.000 2.438 357 D HA 0.159 4.798 4.640 -0.001 0.000 0.257 357 D C 0.256 176.678 176.300 0.204 0.000 1.148 357 D CA -0.406 53.696 54.000 0.170 0.000 0.902 357 D CB 0.037 40.917 40.800 0.135 0.000 1.062 357 D HN 0.371 nan 8.370 nan 0.000 0.518 358 L N 2.273 123.597 121.223 0.168 0.000 2.629 358 L HA 0.087 4.427 4.340 -0.001 0.000 0.230 358 L C 2.018 178.933 176.870 0.074 0.000 1.151 358 L CA 0.023 54.947 54.840 0.140 0.000 0.924 358 L CB -0.271 41.858 42.059 0.118 0.000 1.137 358 L HN 0.329 nan 8.230 nan 0.000 0.457 359 S N -0.187 115.557 115.700 0.074 0.000 2.399 359 S HA -0.119 4.350 4.470 -0.001 0.000 0.231 359 S C 1.963 176.567 174.600 0.007 0.000 1.022 359 S CA 1.040 59.259 58.200 0.033 0.000 0.983 359 S CB -0.582 62.638 63.200 0.033 0.000 0.803 359 S HN 0.451 nan 8.310 nan 0.000 0.480 360 G N 0.727 109.553 108.800 0.044 0.000 2.598 360 G HA2 0.206 4.165 3.960 -0.001 0.000 0.215 360 G HA3 0.206 4.165 3.960 -0.001 0.000 0.215 360 G C 0.441 175.219 174.900 -0.203 0.000 1.131 360 G CA -0.215 44.892 45.100 0.011 0.000 0.785 360 G HN 0.509 nan 8.290 nan 0.000 0.539 361 L N 2.262 123.308 121.223 -0.294 0.000 2.454 361 L HA 0.156 4.495 4.340 -0.001 0.000 0.284 361 L C 1.599 178.323 176.870 -0.243 0.000 1.139 361 L CA -0.459 54.100 54.840 -0.468 0.000 0.911 361 L CB 0.841 42.698 42.059 -0.337 0.000 1.262 361 L HN 0.094 nan 8.230 nan 0.000 0.453 362 T N 0.962 115.379 114.554 -0.228 0.000 2.770 362 T HA -0.022 4.327 4.350 -0.001 0.000 0.258 362 T C 0.732 175.362 174.700 -0.116 0.000 1.039 362 T CA 0.642 62.663 62.100 -0.131 0.000 1.143 362 T CB 0.005 68.811 68.868 -0.103 0.000 0.866 362 T HN 0.403 nan 8.240 nan 0.000 0.428 363 V N -0.232 119.595 119.914 -0.145 0.000 2.966 363 V HA 0.587 4.706 4.120 -0.001 0.000 0.317 363 V C -2.880 173.144 176.094 -0.118 0.000 1.070 363 V CA -3.050 59.180 62.300 -0.117 0.000 1.008 363 V CB 0.526 32.266 31.823 -0.139 0.000 1.070 363 V HN -0.024 nan 8.190 nan 0.000 0.457 364 P HA 0.191 nan 4.420 nan 0.000 0.268 364 P C -0.431 176.840 177.300 -0.049 0.000 1.205 364 P CA -0.242 62.825 63.100 -0.056 0.000 0.771 364 P CB 0.268 31.949 31.700 -0.031 0.000 0.858 365 L N 4.589 125.789 121.223 -0.037 0.000 2.559 365 L HA 0.035 4.375 4.340 -0.001 0.000 0.274 365 L C 0.349 177.248 176.870 0.048 0.000 1.205 365 L CA 1.061 55.901 54.840 0.000 0.000 0.907 365 L CB -0.453 41.602 42.059 -0.008 0.000 1.153 365 L HN 0.315 nan 8.230 nan 0.000 0.490 366 R N 4.019 124.594 120.500 0.124 0.000 2.532 366 R HA 0.657 4.996 4.340 -0.001 0.000 0.297 366 R C -0.861 175.636 176.300 0.327 0.000 0.984 366 R CA -0.600 55.607 56.100 0.178 0.000 0.884 366 R CB 1.905 32.307 30.300 0.169 0.000 1.182 366 R HN 0.743 nan 8.270 nan 0.000 0.442 367 S N 0.476 116.313 115.700 0.229 0.000 2.790 367 S HA 0.582 5.052 4.470 -0.001 0.000 0.292 367 S C -1.601 173.114 174.600 0.192 0.000 1.197 367 S CA -0.611 57.742 58.200 0.255 0.000 0.851 367 S CB 1.024 64.287 63.200 0.105 0.000 1.217 367 S HN 0.866 nan 8.310 nan 0.000 0.526 368 H N -2.391 116.753 119.070 0.123 0.000 3.318 368 H HA 0.776 5.331 4.556 -0.001 0.000 0.291 368 H C 0.612 176.004 175.328 0.107 0.000 1.628 368 H CA -0.224 55.855 56.048 0.051 0.000 1.202 368 H CB 0.432 30.139 29.762 -0.092 0.000 1.802 368 H HN 1.366 nan 8.280 nan 0.000 0.671 369 G N -1.514 107.417 108.800 0.218 0.000 2.253 369 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.209 369 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.209 369 G C 0.529 175.318 174.900 -0.185 0.000 0.997 369 G CA 0.091 45.181 45.100 -0.016 0.000 0.640 369 G HN 1.085 nan 8.290 nan 0.000 0.496 370 G N -0.741 108.038 108.800 -0.034 0.000 2.642 370 G HA2 0.584 4.543 3.960 -0.001 0.000 0.291 370 G HA3 0.584 4.543 3.960 -0.001 0.000 0.291 370 G C 1.147 176.011 174.900 -0.060 0.000 1.345 370 G CA 0.471 45.544 45.100 -0.046 0.000 1.043 370 G HN 0.653 nan 8.290 nan 0.000 0.528 371 V N 0.780 120.677 119.914 -0.030 0.000 2.594 371 V HA -0.153 3.967 4.120 -0.001 0.000 0.253 371 V C 3.008 179.116 176.094 0.024 0.000 1.069 371 V CA 2.339 64.640 62.300 0.002 0.000 1.082 371 V CB -0.312 31.545 31.823 0.057 0.000 0.680 371 V HN 0.785 nan 8.190 nan 0.000 0.469 372 S N 0.101 115.818 115.700 0.029 0.000 2.547 372 S HA -0.094 4.375 4.470 -0.001 0.000 0.235 372 S C 1.141 175.773 174.600 0.052 0.000 0.980 372 S CA 0.910 59.133 58.200 0.038 0.000 0.941 372 S CB -0.224 62.997 63.200 0.035 0.000 0.763 372 S HN 0.675 nan 8.310 nan 0.000 0.532 373 E N 0.375 120.611 120.200 0.059 0.000 2.651 373 E HA 0.244 4.593 4.350 -0.001 0.000 0.208 373 E C 1.247 177.892 176.600 0.076 0.000 0.997 373 E CA -0.139 56.315 56.400 0.090 0.000 1.020 373 E CB 0.270 30.059 29.700 0.149 0.000 1.052 373 E HN 0.607 nan 8.360 nan 0.000 0.465 374 Q N 0.668 120.496 119.800 0.047 0.000 2.212 374 Q HA 0.015 4.354 4.340 -0.001 0.000 0.199 374 Q C 0.227 176.255 176.000 0.047 0.000 0.950 374 Q CA 0.700 56.527 55.803 0.041 0.000 0.863 374 Q CB 0.435 29.193 28.738 0.033 0.000 0.944 374 Q HN -0.100 nan 8.270 nan 0.000 0.465 375 K N 1.503 121.929 120.400 0.045 0.000 2.368 375 K HA 0.150 4.469 4.320 -0.001 0.000 0.282 375 K C -0.318 176.307 176.600 0.042 0.000 1.035 375 K CA 0.022 56.331 56.287 0.037 0.000 0.973 375 K CB 1.079 33.597 32.500 0.031 0.000 0.957 375 K HN 0.150 nan 8.250 nan 0.000 0.474 376 V N 0.302 120.236 119.914 0.034 0.000 3.114 376 V HA 0.681 4.801 4.120 -0.001 0.000 0.308 376 V C -2.771 173.337 176.094 0.025 0.000 1.168 376 V CA -2.498 59.822 62.300 0.033 0.000 1.015 376 V CB 2.324 34.163 31.823 0.027 0.000 1.050 376 V HN 0.486 nan 8.190 nan 0.000 0.433 377 P HA 0.536 nan 4.420 nan 0.000 0.278 377 P C -1.430 175.864 177.300 -0.009 0.000 1.258 377 P CA -0.496 62.611 63.100 0.012 0.000 0.811 377 P CB 1.105 32.814 31.700 0.015 0.000 1.063 378 L N 2.561 123.778 121.223 -0.009 0.000 2.518 378 L HA 0.478 4.818 4.340 -0.001 0.000 0.262 378 L C -0.300 176.523 176.870 -0.078 0.000 0.982 378 L CA -0.202 54.621 54.840 -0.028 0.000 0.873 378 L CB 0.963 43.112 42.059 0.151 0.000 1.198 378 L HN 0.374 nan 8.230 nan 0.000 0.427 379 I N 3.038 123.390 120.570 -0.365 0.000 2.509 379 I HA 0.564 4.734 4.170 -0.001 0.000 0.293 379 I C -0.929 174.828 176.117 -0.600 0.000 1.020 379 I CA -0.454 60.678 61.300 -0.281 0.000 1.088 379 I CB 2.216 40.096 38.000 -0.200 0.000 1.267 379 I HN 0.221 nan 8.210 nan 0.000 0.430 380 F N 3.082 123.033 119.950 0.002 0.000 2.578 380 F HA 0.308 4.835 4.527 -0.001 0.000 0.311 380 F C 0.568 176.437 175.800 0.114 0.000 1.094 380 F CA -1.030 57.005 58.000 0.058 0.000 0.923 380 F CB 1.316 40.357 39.000 0.068 0.000 1.230 380 F HN 0.479 nan 8.300 nan 0.000 0.450 381 N N 1.211 120.144 118.700 0.390 0.000 2.322 381 N HA 0.184 4.924 4.740 -0.001 0.000 0.216 381 N C -0.234 175.582 175.510 0.511 0.000 1.144 381 N CA -0.120 53.246 53.050 0.528 0.000 0.830 381 N CB 0.202 39.086 38.487 0.662 0.000 1.034 381 N HN 0.631 nan 8.380 nan 0.000 0.484 382 R N -0.263 120.472 120.500 0.391 0.000 2.774 382 R HA 0.364 4.703 4.340 -0.001 0.000 0.272 382 R C -0.857 175.553 176.300 0.184 0.000 1.000 382 R CA -0.723 55.544 56.100 0.278 0.000 0.906 382 R CB 1.487 31.918 30.300 0.219 0.000 1.227 382 R HN -0.115 nan 8.270 nan 0.000 0.468 383 K N 1.827 122.303 120.400 0.128 0.000 2.237 383 K HA 0.305 4.624 4.320 -0.001 0.000 0.270 383 K C -0.582 176.024 176.600 0.010 0.000 1.015 383 K CA -0.397 55.928 56.287 0.063 0.000 0.949 383 K CB 0.750 33.286 32.500 0.060 0.000 0.976 383 K HN 0.219 nan 8.250 nan 0.000 0.472 384 L N 0.958 122.161 121.223 -0.034 0.000 2.301 384 L HA 0.519 4.858 4.340 -0.001 0.000 0.264 384 L C -0.567 176.294 176.870 -0.015 0.000 1.016 384 L CA -0.831 53.970 54.840 -0.066 0.000 0.821 384 L CB 2.017 43.955 42.059 -0.201 0.000 1.346 384 L HN 0.497 nan 8.230 nan 0.000 0.429 385 V N -1.851 118.082 119.914 0.033 0.000 3.159 385 V HA 0.932 5.051 4.120 -0.001 0.000 0.308 385 V C 0.205 176.393 176.094 0.157 0.000 1.190 385 V CA -0.320 62.012 62.300 0.054 0.000 1.037 385 V CB 1.371 33.209 31.823 0.025 0.000 1.060 385 V HN 1.121 nan 8.190 nan 0.000 0.437 386 G N 1.407 110.270 108.800 0.104 0.000 2.212 386 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.255 386 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.255 386 G C -0.288 174.690 174.900 0.129 0.000 1.062 386 G CA 0.261 45.443 45.100 0.136 0.000 0.815 386 G HN 1.225 nan 8.290 nan 0.000 0.497 387 L N 0.913 122.157 121.223 0.036 0.000 2.342 387 L HA 0.398 4.737 4.340 -0.001 0.000 0.285 387 L C 0.686 177.542 176.870 -0.023 0.000 1.095 387 L CA -0.531 54.288 54.840 -0.035 0.000 0.843 387 L CB 0.526 42.537 42.059 -0.081 0.000 1.201 387 L HN 0.268 nan 8.230 nan 0.000 0.445 392 R N 0.454 120.935 120.500 -0.032 0.000 3.090 392 R HA 0.438 4.778 4.340 -0.001 0.000 0.279 392 R C -1.704 174.557 176.300 -0.066 0.000 1.462 392 R CA -0.639 55.439 56.100 -0.037 0.000 1.044 392 R CB 0.386 30.673 30.300 -0.021 0.000 1.365 392 R HN 0.191 nan 8.270 nan 0.000 0.399 393 L N 3.444 124.625 121.223 -0.069 0.000 2.456 393 L HA 0.367 4.707 4.340 -0.001 0.000 0.272 393 L C -0.057 176.728 176.870 -0.142 0.000 1.189 393 L CA 0.600 55.382 54.840 -0.096 0.000 0.846 393 L CB 0.513 42.538 42.059 -0.058 0.000 1.111 393 L HN 0.563 nan 8.230 nan 0.000 0.475 394 R N 2.257 122.604 120.500 -0.254 0.000 2.854 394 R HA 0.313 4.653 4.340 -0.001 0.000 0.271 394 R C 0.821 176.934 176.300 -0.311 0.000 0.996 394 R CA -0.706 55.146 56.100 -0.414 0.000 0.961 394 R CB 0.721 30.398 30.300 -1.038 0.000 1.182 394 R HN 0.686 nan 8.270 nan 0.000 0.479 395 N N 1.273 119.858 118.700 -0.193 0.000 2.309 395 N HA -0.149 4.591 4.740 -0.001 0.000 0.182 395 N C 1.104 176.644 175.510 0.050 0.000 1.018 395 N CA 1.210 54.249 53.050 -0.018 0.000 0.876 395 N CB -0.437 38.093 38.487 0.071 0.000 0.972 395 N HN 0.628 nan 8.380 nan 0.000 0.434 396 F N -0.774 119.237 119.950 0.103 0.000 2.769 396 F HA 0.419 4.946 4.527 -0.002 0.000 0.304 396 F C 0.212 176.093 175.800 0.135 0.000 1.158 396 F CA -0.622 57.447 58.000 0.115 0.000 1.398 396 F CB -0.098 38.969 39.000 0.112 0.000 1.094 396 F HN -0.210 nan 8.300 nan 0.000 0.553 397 D N 0.519 120.910 120.400 -0.015 0.000 2.398 397 D HA 0.094 4.733 4.640 -0.001 0.000 0.210 397 D C 2.119 178.520 176.300 0.168 0.000 1.094 397 D CA 0.178 54.221 54.000 0.071 0.000 0.839 397 D CB 0.234 41.001 40.800 -0.054 0.000 0.963 397 D HN 0.488 nan 8.370 nan 0.000 0.506 398 I N 0.635 121.323 120.570 0.196 0.000 2.163 398 I HA -0.268 3.901 4.170 -0.001 0.000 0.243 398 I C 1.995 178.314 176.117 0.336 0.000 1.085 398 I CA 1.242 62.708 61.300 0.278 0.000 1.347 398 I CB 0.195 38.316 38.000 0.202 0.000 1.044 398 I HN -0.125 nan 8.210 nan 0.000 0.408 399 I N 0.753 121.501 120.570 0.297 0.000 2.226 399 I HA -0.317 3.852 4.170 -0.001 0.000 0.245 399 I C 2.218 178.560 176.117 0.375 0.000 1.100 399 I CA 1.680 63.156 61.300 0.293 0.000 1.374 399 I CB -0.589 37.476 38.000 0.107 0.000 1.057 399 I HN 0.383 nan 8.210 nan 0.000 0.413 400 D N 1.288 121.969 120.400 0.469 0.000 2.092 400 D HA -0.195 4.444 4.640 -0.001 0.000 0.193 400 D C 2.212 178.755 176.300 0.404 0.000 0.994 400 D CA 1.719 56.017 54.000 0.496 0.000 0.828 400 D CB -0.216 40.794 40.800 0.350 0.000 0.963 400 D HN 0.260 nan 8.370 nan 0.000 0.450 401 L N 0.085 121.474 121.223 0.278 0.000 2.012 401 L HA -0.140 4.200 4.340 -0.001 0.000 0.210 401 L C 2.686 179.662 176.870 0.177 0.000 1.073 401 L CA 1.407 56.331 54.840 0.140 0.000 0.748 401 L CB -0.619 41.385 42.059 -0.091 0.000 0.891 401 L HN 0.080 nan 8.230 nan 0.000 0.431 402 A N -0.662 122.361 122.820 0.338 0.000 2.066 402 A HA -0.036 4.283 4.320 -0.001 0.000 0.218 402 A C 2.187 179.932 177.584 0.268 0.000 1.157 402 A CA 1.152 53.406 52.037 0.362 0.000 0.670 402 A CB -0.278 18.986 19.000 0.439 0.000 0.804 402 A HN 0.389 nan 8.150 nan 0.000 0.453 403 L N -1.442 119.950 121.223 0.282 0.000 2.388 403 L HA 0.097 4.436 4.340 -0.001 0.000 0.209 403 L C 1.322 178.293 176.870 0.168 0.000 1.061 403 L CA 0.452 55.436 54.840 0.240 0.000 0.834 403 L CB -0.127 42.102 42.059 0.284 0.000 1.029 403 L HN 0.267 nan 8.230 nan 0.000 0.473 404 N N -1.612 117.193 118.700 0.175 0.000 2.205 404 N HA 0.041 4.780 4.740 -0.001 0.000 0.201 404 N C 0.826 176.188 175.510 -0.247 0.000 1.128 404 N CA 0.409 53.454 53.050 -0.009 0.000 0.867 404 N CB 0.414 38.878 38.487 -0.038 0.000 0.996 404 N HN 0.333 nan 8.380 nan 0.000 0.503 405 H N -0.212 118.858 119.070 0.000 0.000 2.581 405 H HA 0.192 4.748 4.556 -0.001 0.000 0.275 405 H C -0.125 175.163 175.328 -0.067 0.000 1.126 405 H CA -0.539 55.478 56.048 -0.051 0.000 1.097 405 H CB 1.065 30.765 29.762 -0.103 0.000 1.626 405 H HN -0.005 nan 8.280 nan 0.000 0.565 406 L N 1.811 123.051 121.223 0.029 0.000 2.453 406 L HA 0.193 4.532 4.340 -0.001 0.000 0.272 406 L C 0.764 177.641 176.870 0.012 0.000 1.182 406 L CA 0.224 55.078 54.840 0.025 0.000 0.858 406 L CB 0.442 42.528 42.059 0.046 0.000 1.120 406 L HN 0.179 nan 8.230 nan 0.000 0.474 407 A N 0.000 122.832 122.820 0.020 0.000 2.254 407 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 407 A CA 0.000 52.048 52.037 0.018 0.000 0.836 407 A CB 0.000 19.013 19.000 0.021 0.000 0.831 407 A HN 0.000 nan 8.150 nan 0.000 0.486