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 3i39_1_X DATA FIRST_RESID 2 DATA SEQUENCE ARQNLKSTDR AVQQMLDKAK REGIQTVWDR YEAMKPQCGF GETGLCCRHC DATA SEQUENCE LQGPCRINPF GDEPKVGICG ATAEVIVARG LDRSIAAGAA GHSGHAKHLA DATA SEQUENCE HTLKKAVQGK AASYMIKDRT KLHSIAKRLG IPTEGQKDED IALEVAKAAL DATA SEQUENCE ADFHEKDTPV LWVTTVLPPS RVKVLSAHGL IPAGIDHEIA EIMHRTSMGC DATA SEQUENCE DADAQNLLLG GLRCSLADLA GCYMGTDLAD ILFGTPAPVV TESNLGVLKA DATA SEQUENCE DAVNVAVHGH NPVLSDIIVS VSKEMENEAR AAGATGINVV GICCTGNEVL DATA SEQUENCE MRHGIPACTH SVSQEMAMIT GALDAMILDY QCIQPSVATI AECTGTTVIT DATA SEQUENCE TMEMSKITGA THVNFAEEAA VENAKQILRL AIDTFKRRKG KPVEIPNIKT DATA SEQUENCE KVVAGFSTEA IINALSKLNA NDPLKPLIDN VVNGNIRGVC LFAGCNNVKV DATA SEQUENCE PQDQNFTTIA RKLLKQNVLV VATGCGAGAL MRHGFMDPAN VDELCGDGLK DATA SEQUENCE AVLTAIGEAN GLGGPLPPVL HMGSCVDNSR AVALVAALAN RLGVDLDRLP DATA SEQUENCE VVASAAEAMH EKAVAIGTWA VTIGLPTHIG VLPPITGSLP VTQILTSSVK DATA SEQUENCE DITGGYFIVE LDPETAADKL LAAINERRAG LGLPW 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.563 177.584 -0.034 0.000 1.274 2 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 2 A CB 0.000 18.984 19.000 -0.026 0.000 0.831 3 R N 2.444 122.924 120.500 -0.034 0.000 2.441 3 R HA 0.138 4.478 4.340 -0.000 0.000 0.300 3 R C 0.420 176.679 176.300 -0.068 0.000 1.284 3 R CA -0.307 55.769 56.100 -0.039 0.000 1.069 3 R CB 0.467 30.752 30.300 -0.025 0.000 1.087 3 R HN 0.698 nan 8.270 nan 0.000 0.519 4 Q N 1.371 121.118 119.800 -0.088 0.000 2.435 4 Q HA -0.120 4.219 4.340 -0.000 0.000 0.207 4 Q C 1.212 177.116 176.000 -0.160 0.000 0.956 4 Q CA 0.755 56.466 55.803 -0.154 0.000 0.917 4 Q CB 0.050 28.695 28.738 -0.155 0.000 0.997 4 Q HN 0.642 nan 8.270 nan 0.000 0.497 5 N N 0.567 119.213 118.700 -0.091 0.000 2.459 5 N HA -0.106 4.634 4.740 -0.000 0.000 0.181 5 N C 1.621 177.100 175.510 -0.052 0.000 1.046 5 N CA 0.520 53.533 53.050 -0.061 0.000 0.904 5 N CB -0.263 38.208 38.487 -0.027 0.000 0.964 5 N HN 0.274 nan 8.380 nan 0.000 0.444 6 L N 0.121 121.310 121.223 -0.057 0.000 2.291 6 L HA 0.020 4.360 4.340 -0.000 0.000 0.214 6 L C 2.291 179.144 176.870 -0.027 0.000 1.120 6 L CA 0.868 55.695 54.840 -0.022 0.000 0.799 6 L CB -0.152 41.905 42.059 -0.004 0.000 0.925 6 L HN 0.103 nan 8.230 nan 0.000 0.446 7 K N -0.962 119.334 120.400 -0.174 0.000 2.099 7 K HA 0.084 4.404 4.320 -0.000 0.000 0.203 7 K C 0.823 177.264 176.600 -0.266 0.000 1.047 7 K CA 0.471 56.514 56.287 -0.406 0.000 0.963 7 K CB 0.328 32.156 32.500 -1.121 0.000 0.759 7 K HN 0.058 nan 8.250 nan 0.000 0.451 8 S N -0.157 115.381 115.700 -0.271 0.000 2.548 8 S HA 0.121 4.590 4.470 -0.000 0.000 0.276 8 S C 0.389 174.986 174.600 -0.005 0.000 1.129 8 S CA -0.729 57.434 58.200 -0.062 0.000 0.931 8 S CB 1.676 64.812 63.200 -0.106 0.000 1.068 8 S HN 0.289 nan 8.310 nan 0.000 0.480 9 T N -0.037 114.569 114.554 0.087 0.000 3.113 9 T HA 0.116 4.466 4.350 -0.000 0.000 0.256 9 T C 0.305 175.147 174.700 0.235 0.000 1.131 9 T CA 0.238 62.412 62.100 0.122 0.000 1.074 9 T CB -0.266 68.649 68.868 0.078 0.000 0.944 9 T HN 0.507 nan 8.240 nan 0.000 0.516 10 D N 1.259 121.777 120.400 0.198 0.000 2.317 10 D HA 0.203 4.843 4.640 -0.000 0.000 0.252 10 D C 1.098 177.413 176.300 0.025 0.000 1.174 10 D CA -0.428 53.631 54.000 0.099 0.000 0.866 10 D CB 1.035 41.882 40.800 0.078 0.000 1.127 10 D HN 0.186 nan 8.370 nan 0.000 0.467 11 R N 2.770 123.274 120.500 0.005 0.000 2.115 11 R HA -0.097 4.243 4.340 -0.000 0.000 0.230 11 R C 1.841 178.130 176.300 -0.018 0.000 1.111 11 R CA 1.172 57.268 56.100 -0.007 0.000 0.976 11 R CB -0.024 30.274 30.300 -0.004 0.000 0.870 11 R HN 0.476 nan 8.270 nan 0.000 0.445 12 A N 0.839 123.647 122.820 -0.021 0.000 1.877 12 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 12 A C 2.360 179.939 177.584 -0.008 0.000 1.186 12 A CA 1.296 53.324 52.037 -0.015 0.000 0.620 12 A CB -0.530 18.460 19.000 -0.016 0.000 0.822 12 A HN 0.091 nan 8.150 nan 0.000 0.443 13 V N 0.187 120.100 119.914 -0.001 0.000 2.255 13 V HA -0.372 3.747 4.120 -0.000 0.000 0.247 13 V C 2.651 178.708 176.094 -0.062 0.000 1.051 13 V CA 2.390 64.689 62.300 -0.002 0.000 1.018 13 V CB -1.126 30.717 31.823 0.033 0.000 0.641 13 V HN 0.665 nan 8.190 nan 0.000 0.445 14 Q N -0.443 119.309 119.800 -0.080 0.000 2.152 14 Q HA -0.330 4.010 4.340 -0.000 0.000 0.206 14 Q C 2.352 178.313 176.000 -0.065 0.000 0.985 14 Q CA 2.140 57.883 55.803 -0.100 0.000 0.863 14 Q CB -0.265 28.427 28.738 -0.076 0.000 0.904 14 Q HN 0.711 nan 8.270 nan 0.000 0.422 15 Q N -0.243 119.534 119.800 -0.038 0.000 2.119 15 Q HA -0.140 4.199 4.340 -0.000 0.000 0.201 15 Q C 1.839 177.828 176.000 -0.017 0.000 0.972 15 Q CA 0.985 56.773 55.803 -0.024 0.000 0.847 15 Q CB 0.198 28.927 28.738 -0.015 0.000 0.903 15 Q HN 0.329 nan 8.270 nan 0.000 0.433 16 M N -0.091 119.502 119.600 -0.011 0.000 2.419 16 M HA -0.030 4.450 4.480 -0.000 0.000 0.264 16 M C 1.953 178.258 176.300 0.008 0.000 1.082 16 M CA 0.801 56.105 55.300 0.007 0.000 1.119 16 M CB -0.417 32.198 32.600 0.026 0.000 1.398 16 M HN 0.285 nan 8.290 nan 0.000 0.453 17 L N -0.100 121.107 121.223 -0.025 0.000 2.056 17 L HA -0.223 4.116 4.340 -0.000 0.000 0.207 17 L C 2.023 178.879 176.870 -0.024 0.000 1.078 17 L CA 0.979 55.797 54.840 -0.038 0.000 0.749 17 L CB -0.593 41.377 42.059 -0.149 0.000 0.901 17 L HN 0.231 nan 8.230 nan 0.000 0.433 18 D N -0.028 120.354 120.400 -0.030 0.000 2.117 18 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 18 D C 2.086 178.383 176.300 -0.004 0.000 0.987 18 D CA 1.121 55.110 54.000 -0.018 0.000 0.829 18 D CB 0.032 40.819 40.800 -0.021 0.000 0.961 18 D HN 0.228 nan 8.370 nan 0.000 0.460 19 K N 0.760 121.161 120.400 0.001 0.000 2.026 19 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 19 K C 2.059 178.669 176.600 0.016 0.000 1.048 19 K CA 1.296 57.587 56.287 0.008 0.000 0.929 19 K CB -0.063 32.443 32.500 0.009 0.000 0.713 19 K HN -0.005 nan 8.250 nan 0.000 0.439 20 A N 1.658 124.493 122.820 0.026 0.000 1.908 20 A HA -0.248 4.071 4.320 -0.000 0.000 0.218 20 A C 2.068 179.672 177.584 0.034 0.000 1.181 20 A CA 2.049 54.109 52.037 0.039 0.000 0.627 20 A CB -0.564 18.475 19.000 0.064 0.000 0.818 20 A HN 0.445 nan 8.150 nan 0.000 0.445 21 K N -0.551 119.864 120.400 0.025 0.000 2.057 21 K HA -0.127 4.192 4.320 -0.000 0.000 0.206 21 K C 2.278 178.888 176.600 0.016 0.000 1.050 21 K CA 1.087 57.387 56.287 0.022 0.000 0.935 21 K CB -0.204 32.303 32.500 0.012 0.000 0.715 21 K HN 0.440 nan 8.250 nan 0.000 0.439 22 R N 0.733 121.240 120.500 0.011 0.000 2.096 22 R HA -0.153 4.187 4.340 -0.000 0.000 0.240 22 R C 1.972 178.279 176.300 0.012 0.000 1.139 22 R CA 2.017 58.122 56.100 0.009 0.000 0.952 22 R CB -0.252 30.051 30.300 0.006 0.000 0.854 22 R HN 0.410 nan 8.270 nan 0.000 0.436 23 E N -0.702 119.507 120.200 0.015 0.000 2.482 23 E HA 0.027 4.377 4.350 -0.000 0.000 0.196 23 E C 0.802 177.414 176.600 0.019 0.000 1.047 23 E CA 0.369 56.779 56.400 0.016 0.000 0.869 23 E CB 0.344 30.054 29.700 0.016 0.000 0.836 23 E HN 0.578 nan 8.360 nan 0.000 0.520 24 G N 1.875 110.689 108.800 0.022 0.000 2.143 24 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.248 24 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.248 24 G C 0.171 175.090 174.900 0.032 0.000 0.991 24 G CA -0.047 45.068 45.100 0.025 0.000 0.689 24 G HN 0.232 nan 8.290 nan 0.000 0.522 25 I N 1.092 121.684 120.570 0.038 0.000 2.337 25 I HA 0.213 4.383 4.170 -0.000 0.000 0.291 25 I C 0.929 177.083 176.117 0.061 0.000 1.046 25 I CA -0.386 60.941 61.300 0.046 0.000 1.324 25 I CB 1.302 39.330 38.000 0.046 0.000 1.409 25 I HN 0.262 nan 8.210 nan 0.000 0.494 26 Q N 5.577 125.414 119.800 0.061 0.000 2.332 26 Q HA 0.194 4.534 4.340 -0.000 0.000 0.263 26 Q C -0.086 175.972 176.000 0.096 0.000 0.979 26 Q CA -0.174 55.675 55.803 0.076 0.000 0.885 26 Q CB 1.030 29.805 28.738 0.061 0.000 1.218 26 Q HN 0.780 nan 8.270 nan 0.000 0.405 27 T N -0.753 113.882 114.554 0.136 0.000 2.938 27 T HA 0.209 4.559 4.350 -0.000 0.000 0.285 27 T C 0.826 175.607 174.700 0.136 0.000 1.028 27 T CA -0.431 61.773 62.100 0.174 0.000 1.005 27 T CB 1.004 70.066 68.868 0.323 0.000 1.157 27 T HN 0.442 nan 8.240 nan 0.000 0.550 28 V N 0.210 120.151 119.914 0.045 0.000 2.392 28 V HA -0.090 4.030 4.120 -0.000 0.000 0.249 28 V C 1.826 177.885 176.094 -0.059 0.000 1.059 28 V CA 1.574 63.804 62.300 -0.116 0.000 1.051 28 V CB -0.915 30.683 31.823 -0.375 0.000 0.658 28 V HN 0.837 nan 8.190 nan 0.000 0.455 29 W N -0.085 121.278 121.300 0.105 0.000 2.388 29 W HA -0.092 4.567 4.660 -0.000 0.000 0.294 29 W C 2.309 178.913 176.519 0.142 0.000 1.212 29 W CA 1.298 58.735 57.345 0.154 0.000 1.271 29 W CB -0.709 28.822 29.460 0.119 0.000 1.126 29 W HN 0.408 nan 8.180 nan 0.000 0.535 30 D N -0.166 120.418 120.400 0.307 0.000 2.144 30 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 30 D C 2.092 178.469 176.300 0.129 0.000 0.978 30 D CA 1.225 55.332 54.000 0.179 0.000 0.833 30 D CB -0.382 40.501 40.800 0.138 0.000 0.961 30 D HN 0.224 nan 8.370 nan 0.000 0.470 31 R N -0.392 120.183 120.500 0.125 0.000 2.115 31 R HA -0.123 4.217 4.340 -0.000 0.000 0.230 31 R C 2.283 178.660 176.300 0.128 0.000 1.111 31 R CA 0.556 56.711 56.100 0.093 0.000 0.976 31 R CB -0.346 29.992 30.300 0.063 0.000 0.870 31 R HN 0.238 nan 8.270 nan 0.000 0.445 32 Y N 2.363 122.669 120.300 0.010 0.000 2.145 32 Y HA -0.201 4.349 4.550 -0.001 0.000 0.286 32 Y C 2.113 178.036 175.900 0.039 0.000 1.145 32 Y CA 1.449 59.555 58.100 0.011 0.000 1.148 32 Y CB -0.150 38.305 38.460 -0.008 0.000 0.981 32 Y HN -0.092 nan 8.280 nan 0.000 0.507 33 E N 0.432 120.584 120.200 -0.080 0.000 2.085 33 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 33 E C 2.366 178.901 176.600 -0.108 0.000 0.994 33 E CA 1.278 57.576 56.400 -0.170 0.000 0.801 33 E CB -0.761 28.917 29.700 -0.036 0.000 0.743 33 E HN 0.563 nan 8.360 nan 0.000 0.453 34 A N 0.192 122.995 122.820 -0.028 0.000 2.067 34 A HA -0.112 4.207 4.320 -0.000 0.000 0.219 34 A C 2.064 179.638 177.584 -0.016 0.000 1.158 34 A CA 1.256 53.286 52.037 -0.011 0.000 0.661 34 A CB -0.271 18.739 19.000 0.017 0.000 0.801 34 A HN 0.163 nan 8.150 nan 0.000 0.452 35 M N -0.355 119.233 119.600 -0.020 0.000 2.506 35 M HA 0.164 4.643 4.480 -0.000 0.000 0.260 35 M C 0.400 176.680 176.300 -0.032 0.000 1.104 35 M CA 0.694 55.994 55.300 0.001 0.000 1.112 35 M CB -0.202 32.438 32.600 0.067 0.000 1.401 35 M HN 0.133 nan 8.290 nan 0.000 0.473 36 K N 2.023 122.361 120.400 -0.104 0.000 2.270 36 K HA 0.244 4.564 4.320 -0.000 0.000 0.276 36 K C -2.179 174.386 176.600 -0.058 0.000 1.023 36 K CA -1.455 54.767 56.287 -0.108 0.000 0.955 36 K CB -0.053 32.333 32.500 -0.189 0.000 0.975 36 K HN 0.143 nan 8.250 nan 0.000 0.471 37 P HA 0.070 nan 4.420 nan 0.000 0.280 37 P C -0.959 176.338 177.300 -0.006 0.000 1.244 37 P CA -0.381 62.702 63.100 -0.028 0.000 0.784 37 P CB 0.865 32.553 31.700 -0.020 0.000 0.913 38 Q N 0.477 120.282 119.800 0.009 0.000 2.368 38 Q HA 0.180 4.519 4.340 -0.000 0.000 0.237 38 Q C 0.076 176.088 176.000 0.020 0.000 0.987 38 Q CA -0.394 55.427 55.803 0.031 0.000 0.896 38 Q CB 0.832 29.606 28.738 0.061 0.000 1.241 38 Q HN 0.559 nan 8.270 nan 0.000 0.485 39 C N 1.976 121.298 119.300 0.037 0.000 2.638 39 C HA 0.147 4.607 4.460 -0.000 0.000 0.410 39 C C 1.757 176.746 174.990 -0.001 0.000 1.404 39 C CA 0.097 59.146 59.018 0.052 0.000 1.651 39 C CB -0.969 26.838 27.740 0.111 0.000 2.495 39 C HN 0.983 nan 8.230 nan 0.000 0.606 40 G N 3.980 112.711 108.800 -0.114 0.000 2.484 40 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.218 40 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.218 40 G C 0.987 175.708 174.900 -0.297 0.000 1.130 40 G CA 0.534 45.495 45.100 -0.233 0.000 0.784 40 G HN 0.764 nan 8.290 nan 0.000 0.543 41 F N 1.506 121.443 119.950 -0.022 0.000 2.084 41 F HA 0.091 4.618 4.527 0.000 0.000 0.296 41 F C 2.872 178.649 175.800 -0.037 0.000 1.111 41 F CA 1.080 59.058 58.000 -0.036 0.000 1.224 41 F CB -0.845 38.135 39.000 -0.033 0.000 0.991 41 F HN 0.142 nan 8.300 nan 0.000 0.471 42 G N -0.465 108.427 108.800 0.153 0.000 2.422 42 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 42 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 42 G C 1.524 176.437 174.900 0.021 0.000 1.146 42 G CA 0.762 45.904 45.100 0.071 0.000 0.769 42 G HN 0.364 nan 8.290 nan 0.000 0.547 43 E N -0.022 120.180 120.200 0.002 0.000 2.110 43 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 43 E C 2.693 179.273 176.600 -0.033 0.000 0.988 43 E CA 1.518 57.906 56.400 -0.020 0.000 0.804 43 E CB -0.129 29.555 29.700 -0.027 0.000 0.745 43 E HN 0.598 nan 8.360 nan 0.000 0.458 44 T N -3.457 111.073 114.554 -0.041 0.000 3.107 44 T HA 0.276 4.625 4.350 -0.000 0.000 0.249 44 T C 1.460 176.136 174.700 -0.041 0.000 1.096 44 T CA 0.400 62.469 62.100 -0.052 0.000 1.012 44 T CB 0.749 69.567 68.868 -0.083 0.000 0.977 44 T HN 0.282 nan 8.240 nan 0.000 0.527 45 G N 1.533 110.321 108.800 -0.020 0.000 2.176 45 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.253 45 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.253 45 G C 0.222 175.117 174.900 -0.008 0.000 0.979 45 G CA 0.115 45.203 45.100 -0.020 0.000 0.641 45 G HN 0.586 nan 8.290 nan 0.000 0.530 46 L N 0.866 122.105 121.223 0.027 0.000 2.865 46 L HA 0.527 4.867 4.340 -0.000 0.000 0.233 46 L C 0.588 177.507 176.870 0.082 0.000 1.320 46 L CA -0.416 54.453 54.840 0.048 0.000 1.225 46 L CB 0.361 42.467 42.059 0.078 0.000 1.542 46 L HN 0.354 nan 8.230 nan 0.000 0.432 47 C N 0.402 119.712 119.300 0.016 0.000 2.782 47 C HA 0.663 5.122 4.460 -0.000 0.000 0.328 47 C C -0.585 174.366 174.990 -0.066 0.000 1.145 47 C CA -0.986 58.019 59.018 -0.023 0.000 1.358 47 C CB 1.096 28.846 27.740 0.018 0.000 1.841 47 C HN 0.701 nan 8.230 nan 0.000 0.477 48 C N 5.921 125.165 119.300 -0.094 0.000 2.547 48 C HA 0.771 5.230 4.460 -0.000 0.000 0.313 48 C C 0.289 175.249 174.990 -0.051 0.000 1.191 48 C CA -0.404 58.532 59.018 -0.137 0.000 1.474 48 C CB 0.999 28.606 27.740 -0.221 0.000 2.081 48 C HN 1.050 nan 8.230 nan 0.000 0.476 49 R N 2.399 122.930 120.500 0.051 0.000 2.668 49 R HA 0.215 4.555 4.340 -0.000 0.000 0.435 49 R C 0.670 177.085 176.300 0.191 0.000 1.059 49 R CA -0.172 55.983 56.100 0.091 0.000 1.073 49 R CB -0.119 30.222 30.300 0.069 0.000 1.401 49 R HN 0.819 nan 8.270 nan 0.000 0.590 50 H N -0.614 118.446 119.070 -0.017 0.000 2.547 50 H HA 0.057 4.612 4.556 -0.001 0.000 0.266 50 H C 0.884 176.207 175.328 -0.008 0.000 0.988 50 H CA 0.062 56.104 56.048 -0.010 0.000 1.147 50 H CB 0.361 30.119 29.762 -0.006 0.000 1.365 50 H HN 0.335 nan 8.280 nan 0.000 0.589 51 C N -1.925 117.437 119.300 0.103 0.000 3.332 51 C HA 0.313 4.773 4.460 -0.000 0.000 0.329 51 C C 1.047 176.052 174.990 0.025 0.000 1.434 51 C CA -1.038 58.010 59.018 0.050 0.000 1.314 51 C CB 0.608 28.372 27.740 0.041 0.000 1.664 51 C HN 0.227 nan 8.230 nan 0.000 0.457 52 L N 1.061 122.292 121.223 0.013 0.000 2.627 52 L HA 0.073 4.413 4.340 -0.000 0.000 0.233 52 L C 2.335 179.203 176.870 -0.002 0.000 1.144 52 L CA 0.562 55.404 54.840 0.003 0.000 0.892 52 L CB -0.621 41.439 42.059 0.000 0.000 1.039 52 L HN 0.788 nan 8.230 nan 0.000 0.442 53 Q N 0.263 120.062 119.800 -0.002 0.000 2.245 53 Q HA 0.029 4.369 4.340 -0.000 0.000 0.201 53 Q C 1.531 177.520 176.000 -0.018 0.000 0.955 53 Q CA 0.576 56.373 55.803 -0.010 0.000 0.870 53 Q CB 0.051 28.783 28.738 -0.010 0.000 0.945 53 Q HN 0.562 nan 8.270 nan 0.000 0.461 54 G N 2.136 110.926 108.800 -0.015 0.000 2.570 54 G HA2 0.199 4.159 3.960 -0.000 0.000 0.276 54 G HA3 0.199 4.159 3.960 -0.000 0.000 0.276 54 G C -2.202 172.680 174.900 -0.030 0.000 1.346 54 G CA -0.826 44.257 45.100 -0.028 0.000 1.034 54 G HN 0.048 nan 8.290 nan 0.000 0.512 55 P HA 0.318 nan 4.420 nan 0.000 0.280 55 P C -0.681 176.566 177.300 -0.089 0.000 1.244 55 P CA -0.298 62.768 63.100 -0.057 0.000 0.784 55 P CB 1.021 32.683 31.700 -0.062 0.000 0.913 56 C N 3.599 122.842 119.300 -0.094 0.000 2.365 56 C HA 0.743 5.203 4.460 -0.000 0.000 0.349 56 C C 0.754 175.646 174.990 -0.164 0.000 1.191 56 C CA -0.286 58.661 59.018 -0.119 0.000 2.114 56 C CB 1.012 28.697 27.740 -0.092 0.000 2.367 56 C HN 0.738 nan 8.230 nan 0.000 0.530 57 R N 1.547 121.919 120.500 -0.213 0.000 2.764 57 R HA 0.828 5.168 4.340 -0.000 0.000 0.270 57 R C -2.132 174.076 176.300 -0.153 0.000 1.014 57 R CA -0.655 55.284 56.100 -0.269 0.000 0.904 57 R CB 1.095 30.947 30.300 -0.747 0.000 1.236 57 R HN 0.662 nan 8.270 nan 0.000 0.466 58 I N 1.776 122.343 120.570 -0.006 0.000 2.498 58 I HA 0.257 4.427 4.170 -0.000 0.000 0.290 58 I C -0.654 175.588 176.117 0.208 0.000 1.032 58 I CA -1.328 60.003 61.300 0.051 0.000 1.073 58 I CB 2.213 40.215 38.000 0.002 0.000 1.251 58 I HN 0.531 nan 8.210 nan 0.000 0.426 59 N N 7.471 126.286 118.700 0.192 0.000 2.454 59 N HA 0.075 4.815 4.740 -0.000 0.000 0.260 59 N C -1.703 173.779 175.510 -0.046 0.000 1.218 59 N CA -1.053 52.106 53.050 0.182 0.000 0.904 59 N CB 0.954 39.521 38.487 0.133 0.000 1.065 59 N HN 0.335 nan 8.380 nan 0.000 0.462 60 P HA -0.016 nan 4.420 nan 0.000 0.218 60 P C -0.522 176.194 177.300 -0.973 0.000 1.148 60 P CA 1.424 64.210 63.100 -0.523 0.000 0.822 60 P CB 0.261 31.673 31.700 -0.480 0.000 0.784 61 F N -3.323 116.625 119.950 -0.004 0.000 2.631 61 F HA 0.583 5.109 4.527 -0.000 0.000 0.308 61 F C 0.982 176.788 175.800 0.010 0.000 1.097 61 F CA -0.056 57.944 58.000 -0.000 0.000 0.952 61 F CB 1.498 40.490 39.000 -0.012 0.000 1.307 61 F HN 0.014 nan 8.300 nan 0.000 0.450 62 G N 1.412 110.338 108.800 0.209 0.000 2.545 62 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.211 62 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.211 62 G C -1.331 173.619 174.900 0.084 0.000 1.167 62 G CA -0.371 44.803 45.100 0.123 0.000 1.151 62 G HN 0.560 nan 8.290 nan 0.000 0.581 63 D N 1.414 121.854 120.400 0.067 0.000 2.627 63 D HA 0.500 5.139 4.640 -0.000 0.000 0.259 63 D C 0.559 176.885 176.300 0.044 0.000 1.164 63 D CA 0.093 54.122 54.000 0.048 0.000 1.087 63 D CB 0.313 41.136 40.800 0.039 0.000 1.217 63 D HN 0.829 nan 8.370 nan 0.000 0.630 64 E N 0.855 121.073 120.200 0.030 0.000 2.415 64 E HA 0.213 4.563 4.350 -0.000 0.000 0.262 64 E C -2.172 174.443 176.600 0.025 0.000 1.038 64 E CA -1.163 55.249 56.400 0.020 0.000 0.921 64 E CB -0.328 29.377 29.700 0.009 0.000 0.950 64 E HN 0.092 nan 8.360 nan 0.000 0.438 65 P HA 0.111 nan 4.420 nan 0.000 0.279 65 P C -0.725 176.577 177.300 0.003 0.000 1.239 65 P CA -0.405 62.691 63.100 -0.007 0.000 0.789 65 P CB 1.215 32.890 31.700 -0.042 0.000 0.933 66 K N 0.270 120.667 120.400 -0.005 0.000 2.391 66 K HA 0.309 4.628 4.320 -0.000 0.000 0.197 66 K C 0.052 176.641 176.600 -0.018 0.000 1.087 66 K CA 0.091 56.373 56.287 -0.007 0.000 1.012 66 K CB 0.827 33.326 32.500 -0.002 0.000 0.925 66 K HN 0.205 nan 8.250 nan 0.000 0.547 67 V N 0.059 119.959 119.914 -0.024 0.000 3.120 67 V HA 0.337 4.457 4.120 -0.000 0.000 0.303 67 V C -0.153 175.918 176.094 -0.038 0.000 1.238 67 V CA -1.243 61.039 62.300 -0.029 0.000 1.008 67 V CB 1.865 33.675 31.823 -0.022 0.000 1.064 67 V HN 0.273 nan 8.190 nan 0.000 0.434 68 G N 1.180 109.953 108.800 -0.044 0.000 2.636 68 G HA2 0.376 4.335 3.960 -0.000 0.000 0.246 68 G HA3 0.376 4.335 3.960 -0.000 0.000 0.246 68 G C 0.926 175.802 174.900 -0.039 0.000 1.216 68 G CA -0.226 44.843 45.100 -0.051 0.000 0.854 68 G HN 0.729 nan 8.290 nan 0.000 0.572 69 I N 0.325 120.872 120.570 -0.040 0.000 2.286 69 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 69 I C 2.788 178.892 176.117 -0.022 0.000 1.115 69 I CA 1.541 62.823 61.300 -0.030 0.000 1.392 69 I CB -0.173 37.809 38.000 -0.029 0.000 1.065 69 I HN 0.654 nan 8.210 nan 0.000 0.418 70 C N 0.078 119.365 119.300 -0.021 0.000 2.491 70 C HA 0.404 4.864 4.460 -0.000 0.000 0.277 70 C C 1.813 176.794 174.990 -0.014 0.000 1.455 70 C CA -0.050 58.960 59.018 -0.014 0.000 1.758 70 C CB -1.059 26.676 27.740 -0.009 0.000 1.745 70 C HN 0.735 nan 8.230 nan 0.000 0.558 71 G N -0.066 108.723 108.800 -0.019 0.000 2.179 71 G HA2 0.138 4.098 3.960 -0.000 0.000 0.220 71 G HA3 0.138 4.098 3.960 -0.000 0.000 0.220 71 G C 0.213 175.100 174.900 -0.022 0.000 0.990 71 G CA 0.100 45.189 45.100 -0.018 0.000 0.646 71 G HN 1.510 nan 8.290 nan 0.000 0.517 72 A N 1.367 124.169 122.820 -0.030 0.000 2.492 72 A HA 0.615 4.935 4.320 -0.000 0.000 0.254 72 A C 1.140 178.701 177.584 -0.039 0.000 1.091 72 A CA 1.282 53.297 52.037 -0.037 0.000 0.768 72 A CB -0.033 18.935 19.000 -0.053 0.000 1.028 72 A HN 1.749 nan 8.150 nan 0.000 0.498 73 T N 0.012 114.546 114.554 -0.034 0.000 2.754 73 T HA 0.479 4.829 4.350 -0.000 0.000 0.286 73 T C 1.483 176.159 174.700 -0.041 0.000 0.997 73 T CA -0.054 62.027 62.100 -0.032 0.000 0.982 73 T CB 0.947 69.801 68.868 -0.025 0.000 1.027 73 T HN 1.177 nan 8.240 nan 0.000 0.529 74 A N 0.252 123.048 122.820 -0.041 0.000 1.908 74 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 74 A C 2.299 179.856 177.584 -0.044 0.000 1.181 74 A CA 1.971 53.979 52.037 -0.047 0.000 0.627 74 A CB -1.178 17.790 19.000 -0.054 0.000 0.818 74 A HN 0.991 nan 8.150 nan 0.000 0.445 75 E N -0.594 119.585 120.200 -0.035 0.000 2.038 75 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 75 E C 2.042 178.625 176.600 -0.029 0.000 1.000 75 E CA 1.546 57.929 56.400 -0.028 0.000 0.803 75 E CB -0.271 29.418 29.700 -0.018 0.000 0.750 75 E HN 0.408 nan 8.360 nan 0.000 0.448 76 V N 1.265 121.159 119.914 -0.033 0.000 2.261 76 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 76 V C 2.266 178.326 176.094 -0.057 0.000 1.047 76 V CA 1.599 63.877 62.300 -0.036 0.000 1.015 76 V CB -0.405 31.398 31.823 -0.034 0.000 0.642 76 V HN 0.283 nan 8.190 nan 0.000 0.446 77 I N -0.302 120.222 120.570 -0.077 0.000 2.163 77 I HA -0.236 3.934 4.170 -0.000 0.000 0.243 77 I C 2.393 178.455 176.117 -0.092 0.000 1.085 77 I CA 1.391 62.622 61.300 -0.115 0.000 1.347 77 I CB -0.420 37.514 38.000 -0.109 0.000 1.044 77 I HN 0.153 nan 8.210 nan 0.000 0.408 78 V N 0.924 120.801 119.914 -0.062 0.000 2.295 78 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 78 V C 2.667 178.739 176.094 -0.036 0.000 1.049 78 V CA 2.035 64.306 62.300 -0.049 0.000 1.024 78 V CB -0.944 30.852 31.823 -0.045 0.000 0.648 78 V HN 0.501 nan 8.190 nan 0.000 0.447 79 A N -0.227 122.577 122.820 -0.027 0.000 1.930 79 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 79 A C 2.373 179.961 177.584 0.005 0.000 1.175 79 A CA 1.511 53.542 52.037 -0.009 0.000 0.627 79 A CB -0.431 18.567 19.000 -0.002 0.000 0.815 79 A HN 0.501 nan 8.150 nan 0.000 0.443 80 R N -0.841 119.659 120.500 -0.001 0.000 2.075 80 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 80 R C 2.430 178.785 176.300 0.093 0.000 1.126 80 R CA 1.104 57.234 56.100 0.050 0.000 0.963 80 R CB -0.664 29.651 30.300 0.025 0.000 0.858 80 R HN 0.520 nan 8.270 nan 0.000 0.435 81 G N 1.619 110.439 108.800 0.034 0.000 2.446 81 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 81 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 81 G C 1.367 176.290 174.900 0.038 0.000 1.168 81 G CA 0.527 45.662 45.100 0.059 0.000 0.771 81 G HN 0.185 nan 8.290 nan 0.000 0.551 82 L N 0.805 122.034 121.223 0.010 0.000 2.046 82 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 82 L C 2.171 179.055 176.870 0.023 0.000 1.077 82 L CA 2.212 57.052 54.840 0.000 0.000 0.747 82 L CB -0.526 41.522 42.059 -0.018 0.000 0.896 82 L HN 0.079 nan 8.230 nan 0.000 0.432 83 D N -0.394 120.028 120.400 0.037 0.000 2.133 83 D HA -0.191 4.448 4.640 -0.000 0.000 0.195 83 D C 2.338 178.665 176.300 0.045 0.000 0.997 83 D CA 1.264 55.291 54.000 0.046 0.000 0.840 83 D CB -0.090 40.738 40.800 0.047 0.000 0.947 83 D HN 0.353 nan 8.370 nan 0.000 0.452 84 R N 0.137 120.666 120.500 0.049 0.000 2.115 84 R HA 0.015 4.354 4.340 -0.000 0.000 0.230 84 R C 2.349 178.658 176.300 0.016 0.000 1.111 84 R CA 0.826 56.943 56.100 0.028 0.000 0.976 84 R CB -0.060 30.256 30.300 0.026 0.000 0.870 84 R HN 0.059 nan 8.270 nan 0.000 0.445 85 S N 1.103 116.812 115.700 0.015 0.000 2.368 85 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 85 S C 1.954 176.568 174.600 0.023 0.000 1.030 85 S CA 1.070 59.270 58.200 -0.000 0.000 0.999 85 S CB -0.139 63.052 63.200 -0.015 0.000 0.844 85 S HN 0.218 nan 8.310 nan 0.000 0.459 86 I N 1.788 122.384 120.570 0.044 0.000 2.179 86 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 86 I C 2.743 178.907 176.117 0.078 0.000 1.088 86 I CA 1.123 62.469 61.300 0.077 0.000 1.357 86 I CB -0.553 37.502 38.000 0.092 0.000 1.051 86 I HN 0.262 nan 8.210 nan 0.000 0.409 87 A N 0.845 123.699 122.820 0.057 0.000 1.908 87 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 87 A C 2.556 180.165 177.584 0.041 0.000 1.181 87 A CA 2.020 54.088 52.037 0.051 0.000 0.627 87 A CB -0.917 18.103 19.000 0.032 0.000 0.818 87 A HN 0.443 nan 8.150 nan 0.000 0.445 88 A N -0.508 122.325 122.820 0.022 0.000 1.883 88 A HA 0.088 4.407 4.320 -0.000 0.000 0.217 88 A C 2.449 180.043 177.584 0.017 0.000 1.186 88 A CA 2.046 54.088 52.037 0.007 0.000 0.624 88 A CB -1.463 17.527 19.000 -0.018 0.000 0.822 88 A HN 0.776 nan 8.150 nan 0.000 0.444 89 G N -0.567 108.254 108.800 0.035 0.000 2.418 89 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.217 89 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.217 89 G C 1.739 176.649 174.900 0.017 0.000 1.158 89 G CA 1.482 46.592 45.100 0.016 0.000 0.771 89 G HN 0.843 nan 8.290 nan 0.000 0.545 90 A N 1.062 123.948 122.820 0.111 0.000 1.972 90 A HA 0.266 4.586 4.320 -0.000 0.000 0.219 90 A C 2.777 180.429 177.584 0.113 0.000 1.169 90 A CA 2.186 54.315 52.037 0.153 0.000 0.635 90 A CB -0.645 18.437 19.000 0.136 0.000 0.810 90 A HN 0.769 nan 8.150 nan 0.000 0.446 91 A N -0.551 122.308 122.820 0.064 0.000 1.930 91 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 91 A C 2.355 179.946 177.584 0.012 0.000 1.175 91 A CA 1.791 53.859 52.037 0.051 0.000 0.627 91 A CB -1.207 17.805 19.000 0.020 0.000 0.815 91 A HN 0.653 nan 8.150 nan 0.000 0.443 92 G N -1.061 107.706 108.800 -0.055 0.000 2.414 92 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 92 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 92 G C 1.396 176.271 174.900 -0.043 0.000 1.188 92 G CA 1.138 46.156 45.100 -0.136 0.000 0.783 92 G HN 0.734 nan 8.290 nan 0.000 0.537 93 H N 0.500 119.602 119.070 0.053 0.000 2.353 93 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 93 H C 2.962 178.334 175.328 0.072 0.000 1.090 93 H CA 1.491 57.571 56.048 0.053 0.000 1.327 93 H CB 0.183 29.983 29.762 0.063 0.000 1.383 93 H HN 0.535 nan 8.280 nan 0.000 0.508 94 S N -0.004 115.843 115.700 0.244 0.000 2.489 94 S HA -0.014 4.455 4.470 -0.000 0.000 0.228 94 S C 2.282 177.082 174.600 0.334 0.000 0.995 94 S CA 0.554 58.929 58.200 0.292 0.000 0.934 94 S CB -0.200 63.174 63.200 0.290 0.000 0.771 94 S HN 0.464 nan 8.310 nan 0.000 0.522 95 G N 0.982 109.895 108.800 0.188 0.000 2.394 95 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.214 95 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.214 95 G C 1.247 176.270 174.900 0.205 0.000 1.176 95 G CA 0.811 45.967 45.100 0.095 0.000 0.786 95 G HN 0.741 nan 8.290 nan 0.000 0.533 96 H N 0.680 119.828 119.070 0.130 0.000 2.319 96 H HA -0.064 4.491 4.556 -0.000 0.000 0.297 96 H C 2.784 178.263 175.328 0.252 0.000 1.097 96 H CA 1.406 57.619 56.048 0.275 0.000 1.285 96 H CB 0.036 29.972 29.762 0.289 0.000 1.368 96 H HN 0.334 nan 8.280 nan 0.000 0.495 97 A N 1.036 124.056 122.820 0.332 0.000 1.877 97 A HA -0.188 4.131 4.320 -0.000 0.000 0.216 97 A C 2.320 180.021 177.584 0.194 0.000 1.186 97 A CA 1.673 53.837 52.037 0.211 0.000 0.620 97 A CB -0.639 18.424 19.000 0.103 0.000 0.822 97 A HN 0.518 nan 8.150 nan 0.000 0.443 98 K N -1.045 119.455 120.400 0.167 0.000 2.074 98 K HA -0.281 4.039 4.320 -0.000 0.000 0.209 98 K C 2.137 178.775 176.600 0.063 0.000 1.048 98 K CA 1.784 58.009 56.287 -0.104 0.000 0.926 98 K CB -0.411 31.850 32.500 -0.398 0.000 0.713 98 K HN 0.709 nan 8.250 nan 0.000 0.444 99 H N 0.844 120.003 119.070 0.148 0.000 2.352 99 H HA -0.127 4.428 4.556 -0.000 0.000 0.299 99 H C 2.054 177.479 175.328 0.162 0.000 1.097 99 H CA 1.829 58.003 56.048 0.210 0.000 1.311 99 H CB -0.122 29.796 29.762 0.259 0.000 1.377 99 H HN 0.223 nan 8.280 nan 0.000 0.504 100 L N 0.229 121.660 121.223 0.346 0.000 2.093 100 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 100 L C 3.097 179.992 176.870 0.042 0.000 1.085 100 L CA 0.955 55.936 54.840 0.235 0.000 0.755 100 L CB -0.456 41.767 42.059 0.273 0.000 0.904 100 L HN 0.290 nan 8.230 nan 0.000 0.435 101 A N -0.939 121.862 122.820 -0.032 0.000 1.898 101 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 101 A C 2.135 179.598 177.584 -0.201 0.000 1.181 101 A CA 1.366 53.317 52.037 -0.144 0.000 0.620 101 A CB -0.703 18.164 19.000 -0.222 0.000 0.819 101 A HN 0.409 nan 8.150 nan 0.000 0.442 102 H N -0.238 118.775 119.070 -0.094 0.000 2.353 102 H HA -0.085 4.471 4.556 -0.000 0.000 0.300 102 H C 2.347 177.582 175.328 -0.155 0.000 1.090 102 H CA 1.920 57.889 56.048 -0.131 0.000 1.327 102 H CB -0.763 28.892 29.762 -0.178 0.000 1.383 102 H HN 0.452 nan 8.280 nan 0.000 0.508 103 T N 1.958 116.451 114.554 -0.100 0.000 2.684 103 T HA -0.141 4.208 4.350 -0.000 0.000 0.267 103 T C 2.228 176.853 174.700 -0.124 0.000 1.036 103 T CA 1.162 63.154 62.100 -0.181 0.000 1.148 103 T CB -0.489 68.250 68.868 -0.215 0.000 0.863 103 T HN 0.080 nan 8.240 nan 0.000 0.436 104 L N 1.231 122.407 121.223 -0.078 0.000 2.017 104 L HA -0.044 4.295 4.340 -0.000 0.000 0.208 104 L C 2.238 179.095 176.870 -0.023 0.000 1.073 104 L CA 1.816 56.628 54.840 -0.046 0.000 0.745 104 L CB -0.555 41.483 42.059 -0.035 0.000 0.894 104 L HN 0.098 nan 8.230 nan 0.000 0.432 105 K N -0.367 120.018 120.400 -0.024 0.000 2.020 105 K HA -0.242 4.077 4.320 -0.000 0.000 0.212 105 K C 2.114 178.716 176.600 0.004 0.000 1.050 105 K CA 2.136 58.421 56.287 -0.003 0.000 0.929 105 K CB -0.235 32.269 32.500 0.008 0.000 0.714 105 K HN 0.344 nan 8.250 nan 0.000 0.443 106 K N 0.477 120.873 120.400 -0.006 0.000 2.020 106 K HA -0.198 4.122 4.320 -0.000 0.000 0.212 106 K C 2.261 178.873 176.600 0.021 0.000 1.050 106 K CA 1.512 57.797 56.287 -0.004 0.000 0.929 106 K CB -0.318 32.161 32.500 -0.035 0.000 0.714 106 K HN 0.175 nan 8.250 nan 0.000 0.443 107 A N 1.154 123.992 122.820 0.029 0.000 1.884 107 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 107 A C 2.357 179.972 177.584 0.053 0.000 1.197 107 A CA 2.517 54.599 52.037 0.076 0.000 0.637 107 A CB -1.008 18.045 19.000 0.089 0.000 0.827 107 A HN 0.259 nan 8.150 nan 0.000 0.450 108 V N -3.453 116.482 119.914 0.034 0.000 3.541 108 V HA 0.035 4.155 4.120 -0.000 0.000 0.267 108 V C 1.615 177.725 176.094 0.026 0.000 1.213 108 V CA 1.482 63.800 62.300 0.030 0.000 1.149 108 V CB -0.582 31.255 31.823 0.024 0.000 0.822 108 V HN 0.567 nan 8.190 nan 0.000 0.462 109 Q N 1.116 120.930 119.800 0.024 0.000 2.403 109 Q HA 0.323 4.662 4.340 -0.000 0.000 0.203 109 Q C 1.666 177.679 176.000 0.022 0.000 0.932 109 Q CA 0.569 56.384 55.803 0.020 0.000 0.945 109 Q CB 0.417 29.165 28.738 0.016 0.000 1.045 109 Q HN 0.909 nan 8.270 nan 0.000 0.511 110 G N 1.522 110.339 108.800 0.029 0.000 2.136 110 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.242 110 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.242 110 G C 0.495 175.414 174.900 0.032 0.000 0.989 110 G CA 0.433 45.552 45.100 0.031 0.000 0.682 110 G HN 0.332 nan 8.290 nan 0.000 0.522 111 K N -0.245 120.174 120.400 0.032 0.000 2.374 111 K HA 0.563 4.882 4.320 -0.000 0.000 0.196 111 K C 0.819 177.446 176.600 0.044 0.000 1.023 111 K CA 0.679 56.981 56.287 0.026 0.000 1.103 111 K CB 0.933 33.438 32.500 0.008 0.000 0.848 111 K HN 0.989 nan 8.250 nan 0.000 0.528 112 A N 0.892 123.761 122.820 0.082 0.000 3.044 112 A HA 0.484 4.803 4.320 -0.000 0.000 0.289 112 A C 0.227 177.928 177.584 0.195 0.000 1.236 112 A CA -0.541 51.588 52.037 0.153 0.000 0.871 112 A CB 0.402 19.516 19.000 0.190 0.000 1.424 112 A HN 0.128 nan 8.150 nan 0.000 0.564 113 A N 0.083 122.971 122.820 0.114 0.000 2.235 113 A HA 0.209 4.528 4.320 -0.000 0.000 0.208 113 A C 1.753 179.364 177.584 0.046 0.000 1.172 113 A CA 1.577 53.660 52.037 0.077 0.000 0.786 113 A CB -0.197 18.829 19.000 0.044 0.000 0.804 113 A HN 0.730 nan 8.150 nan 0.000 0.479 114 S N -1.166 114.555 115.700 0.036 0.000 2.522 114 S HA 0.145 4.615 4.470 -0.000 0.000 0.227 114 S C -0.267 174.104 174.600 -0.382 0.000 0.986 114 S CA 0.434 58.534 58.200 -0.167 0.000 0.929 114 S CB -0.246 62.800 63.200 -0.256 0.000 0.769 114 S HN 0.597 nan 8.310 nan 0.000 0.529 115 Y N 0.893 121.248 120.300 0.093 0.000 2.524 115 Y HA 0.703 5.253 4.550 -0.000 0.000 0.344 115 Y C 0.098 176.015 175.900 0.028 0.000 1.012 115 Y CA -1.246 56.899 58.100 0.076 0.000 1.068 115 Y CB 1.191 39.700 38.460 0.081 0.000 1.249 115 Y HN 0.034 nan 8.280 nan 0.000 0.468 116 M N 0.527 120.208 119.600 0.134 0.000 2.949 116 M HA 0.552 5.032 4.480 -0.000 0.000 0.270 116 M C -2.022 174.295 176.300 0.027 0.000 1.221 116 M CA -0.841 54.501 55.300 0.069 0.000 0.818 116 M CB 1.880 34.511 32.600 0.051 0.000 1.635 116 M HN 0.491 nan 8.290 nan 0.000 0.492 117 I N 2.507 123.094 120.570 0.028 0.000 2.389 117 I HA 0.133 4.302 4.170 -0.000 0.000 0.295 117 I C 0.892 177.025 176.117 0.027 0.000 1.117 117 I CA -0.038 61.275 61.300 0.021 0.000 1.317 117 I CB 0.352 38.377 38.000 0.041 0.000 1.431 117 I HN 0.691 nan 8.210 nan 0.000 0.521 118 K N 2.858 123.268 120.400 0.018 0.000 2.166 118 K HA -0.002 4.317 4.320 -0.000 0.000 0.201 118 K C 0.458 177.081 176.600 0.037 0.000 1.052 118 K CA 0.649 56.958 56.287 0.036 0.000 0.969 118 K CB 0.207 32.743 32.500 0.059 0.000 0.761 118 K HN 0.476 nan 8.250 nan 0.000 0.459 119 D N 1.220 121.642 120.400 0.036 0.000 2.485 119 D HA 0.059 4.699 4.640 -0.000 0.000 0.229 119 D C 0.571 176.906 176.300 0.058 0.000 1.101 119 D CA -0.071 53.954 54.000 0.042 0.000 0.906 119 D CB 0.729 41.555 40.800 0.044 0.000 1.019 119 D HN -0.025 nan 8.370 nan 0.000 0.516 120 R N 1.777 122.310 120.500 0.053 0.000 2.115 120 R HA -0.069 4.270 4.340 -0.000 0.000 0.226 120 R C 1.177 177.537 176.300 0.099 0.000 1.100 120 R CA 1.109 57.262 56.100 0.087 0.000 0.980 120 R CB 0.289 30.609 30.300 0.033 0.000 0.875 120 R HN 0.232 nan 8.270 nan 0.000 0.445 121 T N 0.787 115.362 114.554 0.035 0.000 2.821 121 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 121 T C 1.596 176.346 174.700 0.084 0.000 1.046 121 T CA 1.585 63.704 62.100 0.032 0.000 1.139 121 T CB -0.074 68.801 68.868 0.011 0.000 0.871 121 T HN 0.209 nan 8.240 nan 0.000 0.454 122 K N 0.915 121.363 120.400 0.080 0.000 2.057 122 K HA 0.003 4.322 4.320 -0.000 0.000 0.206 122 K C 2.078 178.742 176.600 0.108 0.000 1.050 122 K CA 0.756 57.096 56.287 0.087 0.000 0.935 122 K CB -0.577 31.969 32.500 0.077 0.000 0.715 122 K HN 0.177 nan 8.250 nan 0.000 0.439 123 L N 0.547 121.844 121.223 0.124 0.000 1.989 123 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 123 L C 1.739 178.663 176.870 0.090 0.000 1.071 123 L CA 2.081 56.988 54.840 0.111 0.000 0.749 123 L CB -0.876 41.258 42.059 0.124 0.000 0.890 123 L HN 0.326 nan 8.230 nan 0.000 0.431 124 H N -0.737 118.346 119.070 0.021 0.000 2.389 124 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 124 H C 2.496 177.826 175.328 0.003 0.000 1.081 124 H CA 1.585 57.639 56.048 0.010 0.000 1.345 124 H CB -0.326 29.441 29.762 0.008 0.000 1.393 124 H HN 0.621 nan 8.280 nan 0.000 0.520 125 S N -0.071 115.701 115.700 0.120 0.000 2.368 125 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 125 S C 2.192 176.802 174.600 0.016 0.000 1.029 125 S CA 1.111 59.346 58.200 0.058 0.000 0.988 125 S CB -0.536 62.699 63.200 0.059 0.000 0.838 125 S HN 0.335 nan 8.310 nan 0.000 0.462 126 I N 2.705 123.293 120.570 0.030 0.000 2.127 126 I HA -0.186 3.984 4.170 -0.000 0.000 0.241 126 I C 3.133 179.203 176.117 -0.079 0.000 1.075 126 I CA 1.241 62.536 61.300 -0.009 0.000 1.334 126 I CB -0.782 37.269 38.000 0.084 0.000 1.040 126 I HN 0.417 nan 8.210 nan 0.000 0.405 127 A N 0.681 123.467 122.820 -0.056 0.000 1.917 127 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 127 A C 2.394 179.920 177.584 -0.098 0.000 1.182 127 A CA 2.323 54.306 52.037 -0.091 0.000 0.633 127 A CB -0.651 18.273 19.000 -0.126 0.000 0.819 127 A HN 0.438 nan 8.150 nan 0.000 0.448 128 K N -0.729 119.629 120.400 -0.070 0.000 2.155 128 K HA -0.087 4.232 4.320 -0.000 0.000 0.203 128 K C 2.263 178.807 176.600 -0.093 0.000 1.052 128 K CA 1.096 57.345 56.287 -0.063 0.000 0.948 128 K CB -0.169 32.316 32.500 -0.026 0.000 0.728 128 K HN 0.436 nan 8.250 nan 0.000 0.448 129 R N 0.501 120.928 120.500 -0.122 0.000 2.115 129 R HA -0.011 4.329 4.340 -0.000 0.000 0.230 129 R C 1.962 178.123 176.300 -0.232 0.000 1.111 129 R CA 0.912 56.909 56.100 -0.172 0.000 0.976 129 R CB -0.017 30.159 30.300 -0.207 0.000 0.870 129 R HN 0.244 nan 8.270 nan 0.000 0.445 130 L N -0.764 120.306 121.223 -0.255 0.000 2.492 130 L HA 0.156 4.495 4.340 -0.000 0.000 0.223 130 L C 1.093 177.856 176.870 -0.180 0.000 1.132 130 L CA 0.619 55.287 54.840 -0.287 0.000 0.850 130 L CB 0.258 42.123 42.059 -0.324 0.000 0.966 130 L HN 0.534 nan 8.230 nan 0.000 0.454 131 G N 1.011 109.729 108.800 -0.137 0.000 2.137 131 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.237 131 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.237 131 G C 0.136 174.988 174.900 -0.079 0.000 1.002 131 G CA -0.257 44.786 45.100 -0.096 0.000 0.702 131 G HN 0.272 nan 8.290 nan 0.000 0.515 132 I N 1.596 122.115 120.570 -0.085 0.000 2.371 132 I HA 0.286 4.455 4.170 -0.000 0.000 0.290 132 I C -1.781 174.297 176.117 -0.065 0.000 1.028 132 I CA -2.190 59.069 61.300 -0.069 0.000 1.345 132 I CB 1.338 39.297 38.000 -0.070 0.000 1.407 132 I HN -0.108 nan 8.210 nan 0.000 0.501 133 P HA 0.166 nan 4.420 nan 0.000 0.279 133 P C 0.339 177.607 177.300 -0.054 0.000 1.239 133 P CA -0.248 62.827 63.100 -0.042 0.000 0.789 133 P CB 0.959 32.642 31.700 -0.028 0.000 0.933 134 T N -2.083 112.444 114.554 -0.045 0.000 2.987 134 T HA 0.094 4.444 4.350 -0.000 0.000 0.248 134 T C 0.569 175.276 174.700 0.012 0.000 0.997 134 T CA -0.155 61.910 62.100 -0.058 0.000 1.013 134 T CB -0.575 68.247 68.868 -0.077 0.000 1.077 134 T HN 0.381 nan 8.240 nan 0.000 0.483 135 E N 1.716 121.929 120.200 0.021 0.000 2.493 135 E HA 0.341 4.690 4.350 -0.000 0.000 0.255 135 E C 1.253 177.867 176.600 0.023 0.000 0.999 135 E CA 0.923 57.341 56.400 0.031 0.000 0.934 135 E CB -0.525 29.187 29.700 0.020 0.000 0.940 135 E HN 0.614 nan 8.360 nan 0.000 0.473 136 G N 3.533 112.352 108.800 0.033 0.000 2.162 136 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 136 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 136 G C -0.120 174.794 174.900 0.023 0.000 0.976 136 G CA 0.296 45.410 45.100 0.025 0.000 0.655 136 G HN 0.527 nan 8.290 nan 0.000 0.533 137 Q N 0.014 119.829 119.800 0.026 0.000 2.235 137 Q HA 0.551 4.891 4.340 -0.000 0.000 0.256 137 Q C 0.315 176.336 176.000 0.034 0.000 0.951 137 Q CA -0.563 55.249 55.803 0.016 0.000 0.890 137 Q CB 1.483 30.215 28.738 -0.011 0.000 1.279 137 Q HN 0.391 nan 8.270 nan 0.000 0.444 138 K N 1.197 121.613 120.400 0.027 0.000 2.355 138 K HA -0.011 4.308 4.320 -0.000 0.000 0.270 138 K C 0.609 177.231 176.600 0.037 0.000 1.003 138 K CA -0.171 56.139 56.287 0.038 0.000 0.957 138 K CB 0.498 33.015 32.500 0.028 0.000 0.939 138 K HN 0.392 nan 8.250 nan 0.000 0.482 139 D N 2.114 122.556 120.400 0.070 0.000 2.116 139 D HA -0.175 4.464 4.640 -0.000 0.000 0.193 139 D C 1.248 177.566 176.300 0.030 0.000 0.998 139 D CA 1.597 55.643 54.000 0.077 0.000 0.836 139 D CB 0.131 41.000 40.800 0.116 0.000 0.951 139 D HN 0.515 nan 8.370 nan 0.000 0.449 140 E N 0.246 120.464 120.200 0.030 0.000 2.153 140 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 140 E C 1.546 178.152 176.600 0.010 0.000 0.988 140 E CA 0.861 57.274 56.400 0.022 0.000 0.811 140 E CB -0.034 29.680 29.700 0.024 0.000 0.746 140 E HN 0.216 nan 8.360 nan 0.000 0.466 141 D N -0.346 120.056 120.400 0.004 0.000 2.123 141 D HA -0.023 4.617 4.640 -0.000 0.000 0.200 141 D C 1.743 178.032 176.300 -0.018 0.000 0.976 141 D CA 0.625 54.623 54.000 -0.003 0.000 0.831 141 D CB 0.031 40.830 40.800 -0.003 0.000 0.974 141 D HN 0.141 nan 8.370 nan 0.000 0.469 142 I N 0.695 121.240 120.570 -0.042 0.000 2.179 142 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 142 I C 2.411 178.500 176.117 -0.046 0.000 1.088 142 I CA 1.013 62.264 61.300 -0.081 0.000 1.357 142 I CB -0.279 37.604 38.000 -0.195 0.000 1.051 142 I HN -0.058 nan 8.210 nan 0.000 0.409 143 A N 0.915 123.721 122.820 -0.024 0.000 1.883 143 A HA -0.214 4.105 4.320 -0.000 0.000 0.217 143 A C 2.228 179.820 177.584 0.013 0.000 1.186 143 A CA 1.517 53.556 52.037 0.004 0.000 0.624 143 A CB -0.869 18.139 19.000 0.013 0.000 0.822 143 A HN 0.301 nan 8.150 nan 0.000 0.444 144 L N 0.015 121.243 121.223 0.009 0.000 2.013 144 L HA -0.188 4.151 4.340 -0.000 0.000 0.212 144 L C 2.419 179.301 176.870 0.020 0.000 1.073 144 L CA 2.138 56.986 54.840 0.014 0.000 0.753 144 L CB -0.976 41.090 42.059 0.012 0.000 0.890 144 L HN 0.391 nan 8.230 nan 0.000 0.432 145 E N -0.988 119.220 120.200 0.014 0.000 2.150 145 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 145 E C 2.382 179.010 176.600 0.047 0.000 0.985 145 E CA 0.928 57.340 56.400 0.020 0.000 0.814 145 E CB -0.371 29.328 29.700 -0.001 0.000 0.752 145 E HN 0.326 nan 8.360 nan 0.000 0.466 146 V N 1.360 121.307 119.914 0.055 0.000 2.427 146 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 146 V C 2.355 178.547 176.094 0.165 0.000 1.051 146 V CA 1.623 64.001 62.300 0.129 0.000 1.048 146 V CB -0.713 31.182 31.823 0.120 0.000 0.666 146 V HN 0.230 nan 8.190 nan 0.000 0.456 147 A N -0.300 122.568 122.820 0.079 0.000 1.898 147 A HA -0.205 4.114 4.320 -0.000 0.000 0.216 147 A C 2.290 179.892 177.584 0.030 0.000 1.181 147 A CA 1.776 53.830 52.037 0.028 0.000 0.620 147 A CB -0.382 18.611 19.000 -0.010 0.000 0.819 147 A HN 0.514 nan 8.150 nan 0.000 0.442 148 K N -0.268 120.162 120.400 0.050 0.000 2.057 148 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 148 K C 2.317 178.976 176.600 0.098 0.000 1.049 148 K CA 1.158 57.482 56.287 0.061 0.000 0.931 148 K CB -0.336 32.197 32.500 0.056 0.000 0.714 148 K HN 0.435 nan 8.250 nan 0.000 0.440 149 A N 1.479 124.381 122.820 0.136 0.000 1.908 149 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 149 A C 2.360 180.129 177.584 0.308 0.000 1.181 149 A CA 1.952 54.110 52.037 0.202 0.000 0.627 149 A CB -0.737 18.386 19.000 0.205 0.000 0.818 149 A HN 0.356 nan 8.150 nan 0.000 0.445 150 A N -0.238 122.736 122.820 0.257 0.000 1.877 150 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 150 A C 2.168 179.812 177.584 0.099 0.000 1.186 150 A CA 1.562 53.560 52.037 -0.065 0.000 0.620 150 A CB -0.643 18.185 19.000 -0.286 0.000 0.822 150 A HN 0.477 nan 8.150 nan 0.000 0.443 151 L N -0.807 120.483 121.223 0.112 0.000 2.141 151 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 151 L C 3.011 180.017 176.870 0.227 0.000 1.094 151 L CA 0.884 55.836 54.840 0.185 0.000 0.763 151 L CB -0.498 41.566 42.059 0.008 0.000 0.908 151 L HN 0.436 nan 8.230 nan 0.000 0.437 152 A N -0.528 122.337 122.820 0.076 0.000 2.019 152 A HA -0.220 4.099 4.320 -0.000 0.000 0.219 152 A C 1.798 179.133 177.584 -0.414 0.000 1.164 152 A CA 1.749 53.666 52.037 -0.201 0.000 0.644 152 A CB -0.410 18.572 19.000 -0.029 0.000 0.805 152 A HN 0.304 nan 8.150 nan 0.000 0.449 153 D N -1.343 118.965 120.400 -0.153 0.000 2.371 153 D HA 0.015 4.655 4.640 -0.000 0.000 0.221 153 D C 0.930 177.018 176.300 -0.352 0.000 0.986 153 D CA 0.541 54.408 54.000 -0.222 0.000 0.899 153 D CB -0.266 40.441 40.800 -0.155 0.000 0.902 153 D HN 0.527 nan 8.370 nan 0.000 0.530 154 F N -0.248 119.607 119.950 -0.159 0.000 2.661 154 F HA 0.047 4.574 4.527 -0.001 0.000 0.298 154 F C 0.972 176.801 175.800 0.049 0.000 1.137 154 F CA 0.315 58.298 58.000 -0.027 0.000 1.454 154 F CB -0.012 39.010 39.000 0.037 0.000 1.103 154 F HN 0.049 nan 8.300 nan 0.000 0.577 155 H N -3.083 116.085 119.070 0.164 0.000 2.907 155 H HA 0.521 5.077 4.556 -0.000 0.000 0.361 155 H C -0.643 174.702 175.328 0.029 0.000 1.194 155 H CA -1.556 54.563 56.048 0.118 0.000 1.152 155 H CB 0.193 30.024 29.762 0.116 0.000 1.867 155 H HN -0.091 nan 8.280 nan 0.000 0.561 156 E N 0.682 120.975 120.200 0.154 0.000 2.415 156 E HA 0.220 4.570 4.350 -0.000 0.000 0.262 156 E C -0.273 176.417 176.600 0.150 0.000 1.038 156 E CA -0.006 56.400 56.400 0.009 0.000 0.921 156 E CB 0.689 30.318 29.700 -0.119 0.000 0.950 156 E HN 0.717 nan 8.360 nan 0.000 0.438 157 K N 0.388 120.814 120.400 0.043 0.000 2.412 157 K HA 0.126 4.446 4.320 -0.000 0.000 0.267 157 K C -0.553 176.052 176.600 0.009 0.000 0.923 157 K CA -0.598 55.725 56.287 0.061 0.000 0.747 157 K CB 0.117 32.664 32.500 0.078 0.000 1.450 157 K HN 0.313 nan 8.250 nan 0.000 0.346 158 D N 0.185 120.591 120.400 0.010 0.000 2.355 158 D HA -0.025 4.615 4.640 -0.000 0.000 0.218 158 D C 0.237 176.526 176.300 -0.018 0.000 1.004 158 D CA 0.602 54.600 54.000 -0.005 0.000 0.880 158 D CB -0.164 40.636 40.800 -0.000 0.000 0.911 158 D HN 0.597 nan 8.370 nan 0.000 0.528 159 T N -3.124 111.415 114.554 -0.025 0.000 2.924 159 T HA 0.597 4.947 4.350 -0.000 0.000 0.291 159 T C -2.783 171.888 174.700 -0.048 0.000 1.045 159 T CA -1.876 60.201 62.100 -0.039 0.000 1.015 159 T CB 2.583 71.423 68.868 -0.046 0.000 1.103 159 T HN -0.219 nan 8.240 nan 0.000 0.496 160 P HA 0.249 nan 4.420 nan 0.000 0.286 160 P C -0.248 177.014 177.300 -0.063 0.000 1.293 160 P CA -0.555 62.512 63.100 -0.055 0.000 0.770 160 P CB 0.332 32.004 31.700 -0.048 0.000 1.206 161 V N 1.742 121.618 119.914 -0.062 0.000 2.434 161 V HA -0.071 4.048 4.120 -0.000 0.000 0.281 161 V C 2.080 178.140 176.094 -0.058 0.000 1.005 161 V CA 0.530 62.794 62.300 -0.060 0.000 1.089 161 V CB -0.833 30.947 31.823 -0.072 0.000 0.978 161 V HN 0.408 nan 8.190 nan 0.000 0.474 162 L N 4.418 125.613 121.223 -0.047 0.000 2.141 162 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 162 L C 1.875 178.612 176.870 -0.223 0.000 1.094 162 L CA 1.410 56.161 54.840 -0.148 0.000 0.763 162 L CB -0.156 41.780 42.059 -0.206 0.000 0.908 162 L HN 0.679 nan 8.230 nan 0.000 0.437 163 W N -0.342 120.823 121.300 -0.226 0.000 3.204 163 W HA 0.025 4.685 4.660 -0.000 0.000 0.249 163 W C 1.556 177.884 176.519 -0.319 0.000 1.322 163 W CA 0.277 57.447 57.345 -0.290 0.000 1.593 163 W CB 0.210 29.530 29.460 -0.234 0.000 1.122 163 W HN 0.055 nan 8.180 nan 0.000 0.710 164 V N -0.426 119.427 119.914 -0.101 0.000 2.602 164 V HA -0.171 3.949 4.120 -0.000 0.000 0.235 164 V C 2.451 178.437 176.094 -0.180 0.000 1.087 164 V CA 2.253 64.463 62.300 -0.150 0.000 1.117 164 V CB -0.833 30.928 31.823 -0.103 0.000 0.820 164 V HN 0.030 nan 8.190 nan 0.000 0.490 165 T N -0.672 113.790 114.554 -0.153 0.000 2.962 165 T HA -0.170 4.180 4.350 -0.000 0.000 0.270 165 T C 1.606 176.200 174.700 -0.178 0.000 1.088 165 T CA 1.882 63.898 62.100 -0.140 0.000 1.127 165 T CB -0.631 68.171 68.868 -0.111 0.000 0.883 165 T HN 0.593 nan 8.240 nan 0.000 0.493 166 T N -0.337 114.064 114.554 -0.255 0.000 3.107 166 T HA 0.227 4.577 4.350 -0.000 0.000 0.249 166 T C 1.659 176.169 174.700 -0.316 0.000 1.096 166 T CA 0.341 62.269 62.100 -0.287 0.000 1.012 166 T CB -0.041 68.612 68.868 -0.359 0.000 0.977 166 T HN 0.495 nan 8.240 nan 0.000 0.527 167 V N -1.966 117.739 119.914 -0.349 0.000 3.645 167 V HA 0.542 4.662 4.120 -0.000 0.000 0.275 167 V C 0.392 176.378 176.094 -0.180 0.000 1.356 167 V CA -0.453 61.620 62.300 -0.378 0.000 1.051 167 V CB -0.376 30.955 31.823 -0.820 0.000 0.828 167 V HN 0.351 nan 8.190 nan 0.000 0.441 168 L N 0.671 121.807 121.223 -0.146 0.000 2.332 168 L HA 0.633 4.973 4.340 -0.000 0.000 0.269 168 L C -2.383 174.448 176.870 -0.065 0.000 1.016 168 L CA -2.179 52.614 54.840 -0.079 0.000 0.809 168 L CB 1.583 43.599 42.059 -0.072 0.000 1.280 168 L HN -0.044 nan 8.230 nan 0.000 0.447 169 P HA 0.087 nan 4.420 nan 0.000 0.269 169 P C -2.179 175.099 177.300 -0.037 0.000 1.209 169 P CA -0.956 62.124 63.100 -0.033 0.000 0.776 169 P CB 0.131 31.821 31.700 -0.017 0.000 0.876 170 P HA -0.197 nan 4.420 nan 0.000 0.216 170 P C 1.532 178.818 177.300 -0.023 0.000 1.150 170 P CA 1.742 64.821 63.100 -0.035 0.000 0.837 170 P CB -0.234 31.445 31.700 -0.034 0.000 0.786 171 S N -0.473 115.217 115.700 -0.016 0.000 2.382 171 S HA -0.178 4.292 4.470 -0.000 0.000 0.228 171 S C 2.153 176.752 174.600 -0.001 0.000 1.027 171 S CA 1.020 59.215 58.200 -0.008 0.000 0.991 171 S CB -0.828 62.370 63.200 -0.004 0.000 0.823 171 S HN -0.052 nan 8.310 nan 0.000 0.469 172 R N 1.744 122.242 120.500 -0.004 0.000 2.075 172 R HA 0.098 4.437 4.340 -0.000 0.000 0.232 172 R C 2.053 178.354 176.300 0.000 0.000 1.126 172 R CA 1.722 57.823 56.100 0.002 0.000 0.963 172 R CB -1.514 28.784 30.300 -0.004 0.000 0.858 172 R HN 0.355 nan 8.270 nan 0.000 0.435 173 V N 1.249 121.153 119.914 -0.016 0.000 2.392 173 V HA -0.222 3.898 4.120 -0.000 0.000 0.249 173 V C 2.438 178.526 176.094 -0.008 0.000 1.059 173 V CA 2.200 64.488 62.300 -0.021 0.000 1.051 173 V CB -0.540 31.258 31.823 -0.041 0.000 0.658 173 V HN 0.400 nan 8.190 nan 0.000 0.455 174 K N -0.243 120.153 120.400 -0.008 0.000 2.097 174 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 174 K C 2.072 178.677 176.600 0.009 0.000 1.050 174 K CA 1.197 57.480 56.287 -0.006 0.000 0.938 174 K CB -0.067 32.426 32.500 -0.010 0.000 0.718 174 K HN 0.323 nan 8.250 nan 0.000 0.442 175 V N 1.609 121.541 119.914 0.029 0.000 2.358 175 V HA -0.232 3.887 4.120 -0.000 0.000 0.246 175 V C 2.198 178.370 176.094 0.130 0.000 1.047 175 V CA 1.485 63.829 62.300 0.075 0.000 1.035 175 V CB -0.256 31.617 31.823 0.083 0.000 0.658 175 V HN 0.314 nan 8.190 nan 0.000 0.452 176 L N -0.678 120.596 121.223 0.086 0.000 2.072 176 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 176 L C 2.684 179.604 176.870 0.083 0.000 1.079 176 L CA 1.568 56.466 54.840 0.097 0.000 0.752 176 L CB -0.633 41.455 42.059 0.049 0.000 0.906 176 L HN 0.320 nan 8.230 nan 0.000 0.436 177 S N -0.078 115.643 115.700 0.036 0.000 2.370 177 S HA -0.213 4.257 4.470 -0.000 0.000 0.226 177 S C 2.140 176.738 174.600 -0.004 0.000 1.033 177 S CA 1.333 59.540 58.200 0.013 0.000 1.011 177 S CB -0.126 63.070 63.200 -0.007 0.000 0.852 177 S HN 0.447 nan 8.310 nan 0.000 0.457 178 A N 0.426 123.227 122.820 -0.033 0.000 2.024 178 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 178 A C 1.777 179.234 177.584 -0.212 0.000 1.164 178 A CA 1.459 53.420 52.037 -0.127 0.000 0.643 178 A CB -0.718 18.175 19.000 -0.178 0.000 0.806 178 A HN 0.726 nan 8.150 nan 0.000 0.451 179 H N -1.448 117.627 119.070 0.007 0.000 2.551 179 H HA 0.250 4.806 4.556 -0.000 0.000 0.271 179 H C 1.521 176.858 175.328 0.015 0.000 0.984 179 H CA 0.500 56.555 56.048 0.012 0.000 1.164 179 H CB 0.054 29.825 29.762 0.015 0.000 1.437 179 H HN 0.605 nan 8.280 nan 0.000 0.550 180 G N 1.520 110.372 108.800 0.086 0.000 2.198 180 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.257 180 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.257 180 G C 0.935 175.879 174.900 0.073 0.000 1.042 180 G CA 0.448 45.586 45.100 0.063 0.000 0.791 180 G HN 0.425 nan 8.290 nan 0.000 0.502 181 L N -0.319 120.954 121.223 0.082 0.000 2.554 181 L HA 0.292 4.632 4.340 -0.000 0.000 0.225 181 L C 1.186 178.085 176.870 0.047 0.000 1.104 181 L CA -0.320 54.562 54.840 0.070 0.000 0.866 181 L CB -0.034 42.070 42.059 0.075 0.000 1.047 181 L HN 0.188 nan 8.230 nan 0.000 0.468 182 I N 2.947 123.537 120.570 0.034 0.000 2.517 182 I HA 0.108 4.278 4.170 -0.000 0.000 0.285 182 I C -1.839 174.289 176.117 0.019 0.000 1.106 182 I CA -2.066 59.242 61.300 0.012 0.000 1.402 182 I CB 0.095 38.092 38.000 -0.004 0.000 1.399 182 I HN -0.152 nan 8.210 nan 0.000 0.535 183 P HA 0.108 nan 4.420 nan 0.000 0.271 183 P C 0.207 177.517 177.300 0.018 0.000 1.218 183 P CA -0.244 62.877 63.100 0.034 0.000 0.780 183 P CB 1.015 32.728 31.700 0.020 0.000 0.901 184 A N 2.360 125.209 122.820 0.047 0.000 2.030 184 A HA 0.437 4.756 4.320 -0.000 0.000 0.215 184 A C 1.026 178.576 177.584 -0.056 0.000 1.164 184 A CA 1.254 53.269 52.037 -0.036 0.000 0.697 184 A CB -0.557 18.359 19.000 -0.139 0.000 0.827 184 A HN 0.713 nan 8.150 nan 0.000 0.457 185 G N -1.732 107.087 108.800 0.032 0.000 2.633 185 G HA2 0.428 4.388 3.960 -0.000 0.000 0.299 185 G HA3 0.428 4.388 3.960 -0.000 0.000 0.299 185 G C 0.215 175.153 174.900 0.063 0.000 1.501 185 G CA -0.526 44.587 45.100 0.022 0.000 0.887 185 G HN -0.029 nan 8.290 nan 0.000 0.561 186 I N 0.464 120.991 120.570 -0.071 0.000 2.133 186 I HA -0.088 4.082 4.170 -0.000 0.000 0.238 186 I C 2.081 178.255 176.117 0.095 0.000 1.074 186 I CA 1.135 62.389 61.300 -0.077 0.000 1.342 186 I CB 0.064 37.839 38.000 -0.376 0.000 1.053 186 I HN 0.409 nan 8.210 nan 0.000 0.404 187 D N -0.635 119.894 120.400 0.214 0.000 2.183 187 D HA -0.198 4.441 4.640 -0.000 0.000 0.203 187 D C 1.920 178.316 176.300 0.161 0.000 0.969 187 D CA 1.121 55.252 54.000 0.219 0.000 0.842 187 D CB -0.412 40.553 40.800 0.274 0.000 0.957 187 D HN 0.414 nan 8.370 nan 0.000 0.484 188 H N 1.424 120.560 119.070 0.111 0.000 2.319 188 H HA -0.120 4.435 4.556 -0.000 0.000 0.297 188 H C 1.700 177.072 175.328 0.074 0.000 1.097 188 H CA 1.929 58.031 56.048 0.090 0.000 1.285 188 H CB 0.289 30.102 29.762 0.084 0.000 1.368 188 H HN -0.050 nan 8.280 nan 0.000 0.495 189 E N 0.257 120.469 120.200 0.020 0.000 2.106 189 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 189 E C 2.641 179.226 176.600 -0.025 0.000 0.984 189 E CA 1.019 57.408 56.400 -0.019 0.000 0.806 189 E CB -0.193 29.547 29.700 0.067 0.000 0.750 189 E HN 0.605 nan 8.360 nan 0.000 0.458 190 I N 1.289 121.869 120.570 0.017 0.000 2.163 190 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 190 I C 2.503 178.620 176.117 -0.000 0.000 1.085 190 I CA 1.301 62.617 61.300 0.026 0.000 1.347 190 I CB -0.355 37.678 38.000 0.055 0.000 1.044 190 I HN 0.011 nan 8.210 nan 0.000 0.408 191 A N 0.092 122.901 122.820 -0.018 0.000 1.902 191 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 191 A C 2.309 179.877 177.584 -0.026 0.000 1.181 191 A CA 2.014 54.036 52.037 -0.024 0.000 0.623 191 A CB -0.702 18.283 19.000 -0.025 0.000 0.818 191 A HN 0.514 nan 8.150 nan 0.000 0.443 192 E N -0.419 119.718 120.200 -0.104 0.000 2.110 192 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 192 E C 1.804 178.396 176.600 -0.013 0.000 0.988 192 E CA 1.129 57.488 56.400 -0.069 0.000 0.804 192 E CB -0.118 29.474 29.700 -0.179 0.000 0.745 192 E HN 0.507 nan 8.360 nan 0.000 0.458 193 I N 0.847 121.410 120.570 -0.012 0.000 2.179 193 I HA -0.260 3.909 4.170 -0.000 0.000 0.242 193 I C 2.326 178.456 176.117 0.021 0.000 1.088 193 I CA 1.113 62.418 61.300 0.008 0.000 1.357 193 I CB -0.841 37.170 38.000 0.018 0.000 1.051 193 I HN 0.331 nan 8.210 nan 0.000 0.409 194 M N -0.727 118.886 119.600 0.022 0.000 2.159 194 M HA -0.206 4.273 4.480 -0.000 0.000 0.263 194 M C 2.296 178.637 176.300 0.068 0.000 1.063 194 M CA 1.506 56.815 55.300 0.015 0.000 1.110 194 M CB -1.722 30.876 32.600 -0.004 0.000 1.374 194 M HN 0.382 nan 8.290 nan 0.000 0.411 195 H N 0.864 119.915 119.070 -0.033 0.000 2.256 195 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 195 H C 2.282 177.607 175.328 -0.005 0.000 1.071 195 H CA 1.848 57.883 56.048 -0.022 0.000 1.280 195 H CB 0.050 29.796 29.762 -0.026 0.000 1.370 195 H HN 0.354 nan 8.280 nan 0.000 0.490 196 R N 0.777 121.232 120.500 -0.074 0.000 2.200 196 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 196 R C 1.733 178.019 176.300 -0.024 0.000 1.127 196 R CA 1.795 57.806 56.100 -0.150 0.000 0.989 196 R CB -0.577 29.644 30.300 -0.131 0.000 0.869 196 R HN 0.401 nan 8.270 nan 0.000 0.459 197 T N -1.469 113.108 114.554 0.038 0.000 3.081 197 T HA 0.071 4.420 4.350 -0.000 0.000 0.250 197 T C 0.977 175.786 174.700 0.180 0.000 1.100 197 T CA 0.026 62.191 62.100 0.108 0.000 1.038 197 T CB 0.057 69.006 68.868 0.134 0.000 0.962 197 T HN 0.343 nan 8.240 nan 0.000 0.516 198 S N 1.998 117.765 115.700 0.111 0.000 2.600 198 S HA 0.431 4.901 4.470 -0.000 0.000 0.265 198 S C 0.528 175.200 174.600 0.120 0.000 1.325 198 S CA -0.979 57.287 58.200 0.111 0.000 1.002 198 S CB 0.229 63.479 63.200 0.084 0.000 0.921 198 S HN 0.357 nan 8.310 nan 0.000 0.554 199 M N 1.665 121.330 119.600 0.109 0.000 2.248 199 M HA 0.226 4.706 4.480 -0.000 0.000 0.343 199 M C 1.275 177.611 176.300 0.059 0.000 1.243 199 M CA 2.019 57.367 55.300 0.079 0.000 1.025 199 M CB -0.775 31.863 32.600 0.063 0.000 1.759 199 M HN 1.569 nan 8.290 nan 0.000 0.452 200 G N 3.683 112.507 108.800 0.039 0.000 2.153 200 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.252 200 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.252 200 G C 0.269 175.185 174.900 0.026 0.000 0.994 200 G CA 0.219 45.336 45.100 0.029 0.000 0.698 200 G HN 0.824 nan 8.290 nan 0.000 0.521 201 C N -1.059 118.253 119.300 0.021 0.000 2.619 201 C HA 0.635 5.095 4.460 -0.000 0.000 0.073 201 C C 0.951 175.927 174.990 -0.024 0.000 2.364 201 C CA 0.082 59.093 59.018 -0.012 0.000 1.846 201 C CB 0.119 27.838 27.740 -0.036 0.000 2.824 201 C HN 0.536 nan 8.230 nan 0.000 0.336 202 D N 0.513 120.889 120.400 -0.041 0.000 2.390 202 D HA 0.466 5.105 4.640 -0.000 0.000 0.249 202 D C -0.192 176.100 176.300 -0.013 0.000 1.144 202 D CA 0.406 54.387 54.000 -0.032 0.000 0.880 202 D CB 0.728 41.504 40.800 -0.040 0.000 1.182 202 D HN 0.601 nan 8.370 nan 0.000 0.451 203 A N 3.528 126.341 122.820 -0.011 0.000 3.045 203 A HA 0.267 4.586 4.320 -0.000 0.000 0.244 203 A C -0.522 177.057 177.584 -0.008 0.000 0.917 203 A CA -0.643 51.388 52.037 -0.010 0.000 1.075 203 A CB 0.111 19.105 19.000 -0.009 0.000 1.202 203 A HN 0.470 nan 8.150 nan 0.000 0.486 204 D N -0.338 120.059 120.400 -0.005 0.000 2.686 204 D HA 0.623 5.263 4.640 -0.000 0.000 0.249 204 D C 1.016 177.317 176.300 0.001 0.000 1.260 204 D CA 0.309 54.308 54.000 -0.002 0.000 0.910 204 D CB 1.751 42.552 40.800 0.001 0.000 1.323 204 D HN 0.127 nan 8.370 nan 0.000 0.561 205 A N 3.517 126.337 122.820 0.001 0.000 1.908 205 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 205 A C 1.911 179.501 177.584 0.010 0.000 1.181 205 A CA 2.002 54.041 52.037 0.003 0.000 0.627 205 A CB -0.679 18.321 19.000 0.001 0.000 0.818 205 A HN 0.742 nan 8.150 nan 0.000 0.445 206 Q N -0.376 119.431 119.800 0.012 0.000 2.030 206 Q HA -0.274 4.065 4.340 -0.000 0.000 0.204 206 Q C 2.065 178.077 176.000 0.021 0.000 0.986 206 Q CA 2.129 57.942 55.803 0.018 0.000 0.843 206 Q CB -0.300 28.449 28.738 0.019 0.000 0.904 206 Q HN 0.637 nan 8.270 nan 0.000 0.420 207 N N -0.044 118.667 118.700 0.017 0.000 2.069 207 N HA -0.153 4.587 4.740 -0.000 0.000 0.191 207 N C 1.736 177.256 175.510 0.016 0.000 1.031 207 N CA 1.456 54.516 53.050 0.017 0.000 0.852 207 N CB -0.272 38.220 38.487 0.009 0.000 1.018 207 N HN 0.301 nan 8.380 nan 0.000 0.423 208 L N -0.054 121.176 121.223 0.012 0.000 2.042 208 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 208 L C 2.094 178.979 176.870 0.025 0.000 1.076 208 L CA 0.930 55.778 54.840 0.014 0.000 0.749 208 L CB -0.330 41.735 42.059 0.011 0.000 0.893 208 L HN 0.246 nan 8.230 nan 0.000 0.432 209 L N -1.126 120.114 121.223 0.028 0.000 2.240 209 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 209 L C 2.361 179.257 176.870 0.043 0.000 1.106 209 L CA 0.551 55.415 54.840 0.039 0.000 0.793 209 L CB -0.294 41.789 42.059 0.041 0.000 0.927 209 L HN 0.254 nan 8.230 nan 0.000 0.446 210 L N -0.287 120.957 121.223 0.036 0.000 2.083 210 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 210 L C 2.666 179.564 176.870 0.046 0.000 1.083 210 L CA 1.358 56.221 54.840 0.039 0.000 0.752 210 L CB -1.027 41.058 42.059 0.042 0.000 0.899 210 L HN 0.309 nan 8.230 nan 0.000 0.433 211 G N -0.369 108.455 108.800 0.040 0.000 2.422 211 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.218 211 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.218 211 G C 1.592 176.523 174.900 0.051 0.000 1.146 211 G CA 0.718 45.842 45.100 0.040 0.000 0.769 211 G HN 0.483 nan 8.290 nan 0.000 0.547 212 G N 1.036 109.870 108.800 0.055 0.000 2.440 212 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.218 212 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.218 212 G C 1.806 176.761 174.900 0.091 0.000 1.154 212 G CA 0.838 45.981 45.100 0.071 0.000 0.767 212 G HN 0.425 nan 8.290 nan 0.000 0.552 213 L N -0.164 121.109 121.223 0.084 0.000 2.012 213 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 213 L C 2.919 179.842 176.870 0.089 0.000 1.073 213 L CA 1.696 56.590 54.840 0.090 0.000 0.748 213 L CB -0.520 41.576 42.059 0.062 0.000 0.891 213 L HN 0.210 nan 8.230 nan 0.000 0.431 214 R N -0.316 120.228 120.500 0.073 0.000 2.091 214 R HA -0.230 4.110 4.340 -0.000 0.000 0.238 214 R C 2.507 178.852 176.300 0.074 0.000 1.136 214 R CA 2.118 58.259 56.100 0.068 0.000 0.959 214 R CB -0.636 29.702 30.300 0.064 0.000 0.856 214 R HN 0.437 nan 8.270 nan 0.000 0.437 215 C N 0.770 120.118 119.300 0.080 0.000 2.432 215 C HA -0.015 4.444 4.460 -0.000 0.000 0.280 215 C C 2.965 178.028 174.990 0.122 0.000 1.353 215 C CA 1.237 60.306 59.018 0.086 0.000 1.766 215 C CB -0.988 26.797 27.740 0.076 0.000 1.924 215 C HN 0.780 nan 8.230 nan 0.000 0.509 216 S N 0.019 115.811 115.700 0.153 0.000 2.428 216 S HA -0.023 4.447 4.470 -0.000 0.000 0.230 216 S C 1.713 176.453 174.600 0.233 0.000 1.014 216 S CA 1.236 59.587 58.200 0.251 0.000 0.957 216 S CB -0.614 62.751 63.200 0.274 0.000 0.784 216 S HN 0.680 nan 8.310 nan 0.000 0.499 217 L N 0.991 122.282 121.223 0.114 0.000 2.156 217 L HA 0.120 4.460 4.340 -0.000 0.000 0.208 217 L C 3.145 179.991 176.870 -0.040 0.000 1.095 217 L CA 0.876 55.717 54.840 0.001 0.000 0.770 217 L CB -0.754 41.305 42.059 -0.000 0.000 0.914 217 L HN 0.465 nan 8.230 nan 0.000 0.439 218 A N 0.188 123.013 122.820 0.009 0.000 1.933 218 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 218 A C 1.935 179.518 177.584 -0.001 0.000 1.175 218 A CA 2.156 54.184 52.037 -0.015 0.000 0.628 218 A CB -0.581 18.430 19.000 0.017 0.000 0.814 218 A HN 0.459 nan 8.150 nan 0.000 0.444 219 D N -0.699 119.756 120.400 0.091 0.000 2.097 219 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 219 D C 1.811 178.126 176.300 0.025 0.000 0.984 219 D CA 1.316 55.429 54.000 0.189 0.000 0.826 219 D CB -0.169 40.881 40.800 0.416 0.000 0.973 219 D HN 0.240 nan 8.370 nan 0.000 0.460 220 L N 0.740 121.786 121.223 -0.294 0.000 2.013 220 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 220 L C 2.177 178.856 176.870 -0.317 0.000 1.073 220 L CA 2.421 56.795 54.840 -0.775 0.000 0.753 220 L CB -1.150 40.227 42.059 -1.136 0.000 0.890 220 L HN 0.118 nan 8.230 nan 0.000 0.432 221 A N -0.503 122.202 122.820 -0.192 0.000 1.908 221 A HA -0.118 4.201 4.320 -0.000 0.000 0.218 221 A C 2.363 179.867 177.584 -0.132 0.000 1.181 221 A CA 1.796 53.774 52.037 -0.099 0.000 0.627 221 A CB -1.678 17.257 19.000 -0.107 0.000 0.818 221 A HN 0.578 nan 8.150 nan 0.000 0.445 222 G N -1.047 107.677 108.800 -0.127 0.000 2.418 222 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.217 222 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.217 222 G C 1.587 176.434 174.900 -0.089 0.000 1.158 222 G CA 1.263 46.308 45.100 -0.091 0.000 0.771 222 G HN 0.528 nan 8.290 nan 0.000 0.545 223 C N -0.814 118.429 119.300 -0.096 0.000 2.413 223 C HA -0.080 4.380 4.460 -0.000 0.000 0.278 223 C C 2.374 177.320 174.990 -0.073 0.000 1.224 223 C CA 0.856 59.787 59.018 -0.145 0.000 1.732 223 C CB -1.126 26.529 27.740 -0.142 0.000 2.050 223 C HN 0.517 nan 8.230 nan 0.000 0.463 224 Y N 0.724 120.942 120.300 -0.136 0.000 2.145 224 Y HA -0.204 4.345 4.550 -0.000 0.000 0.286 224 Y C 2.642 178.524 175.900 -0.029 0.000 1.145 224 Y CA 1.879 59.969 58.100 -0.015 0.000 1.148 224 Y CB -0.657 37.848 38.460 0.076 0.000 0.981 224 Y HN 0.288 nan 8.280 nan 0.000 0.507 225 M N -0.772 118.763 119.600 -0.109 0.000 2.082 225 M HA -0.191 4.289 4.480 -0.000 0.000 0.258 225 M C 2.256 178.438 176.300 -0.197 0.000 1.069 225 M CA 2.306 57.246 55.300 -0.601 0.000 1.102 225 M CB -0.743 31.236 32.600 -1.034 0.000 1.336 225 M HN 0.367 nan 8.290 nan 0.000 0.404 226 G N -0.883 107.837 108.800 -0.133 0.000 2.418 226 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 226 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 226 G C 1.298 176.211 174.900 0.021 0.000 1.158 226 G CA 1.457 46.513 45.100 -0.073 0.000 0.771 226 G HN 0.496 nan 8.290 nan 0.000 0.545 227 T N 0.757 115.310 114.554 -0.003 0.000 2.777 227 T HA -0.064 4.285 4.350 -0.000 0.000 0.266 227 T C 2.008 176.756 174.700 0.079 0.000 1.040 227 T CA 1.364 63.479 62.100 0.026 0.000 1.141 227 T CB -0.239 68.588 68.868 -0.069 0.000 0.868 227 T HN 0.129 nan 8.240 nan 0.000 0.444 228 D N 1.121 121.603 120.400 0.137 0.000 2.084 228 D HA -0.007 4.632 4.640 -0.000 0.000 0.194 228 D C 2.152 178.542 176.300 0.151 0.000 0.990 228 D CA 0.872 55.001 54.000 0.214 0.000 0.826 228 D CB -0.368 40.699 40.800 0.444 0.000 0.971 228 D HN 0.287 nan 8.370 nan 0.000 0.453 229 L N 0.419 121.711 121.223 0.114 0.000 2.093 229 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 229 L C 2.485 179.394 176.870 0.065 0.000 1.085 229 L CA 1.027 55.912 54.840 0.075 0.000 0.755 229 L CB -0.350 41.736 42.059 0.044 0.000 0.904 229 L HN -0.031 nan 8.230 nan 0.000 0.435 230 A N -0.243 122.663 122.820 0.144 0.000 1.930 230 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 230 A C 1.894 179.584 177.584 0.176 0.000 1.175 230 A CA 1.752 53.940 52.037 0.251 0.000 0.627 230 A CB -0.398 18.811 19.000 0.349 0.000 0.815 230 A HN 0.324 nan 8.150 nan 0.000 0.443 231 D N 0.104 120.577 120.400 0.122 0.000 2.117 231 D HA -0.093 4.547 4.640 -0.000 0.000 0.198 231 D C 1.830 178.159 176.300 0.049 0.000 0.982 231 D CA 0.999 55.053 54.000 0.090 0.000 0.828 231 D CB -0.328 40.517 40.800 0.075 0.000 0.967 231 D HN 0.516 nan 8.370 nan 0.000 0.464 232 I N 0.388 120.976 120.570 0.030 0.000 2.163 232 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 232 I C 2.341 178.414 176.117 -0.074 0.000 1.085 232 I CA 0.881 62.183 61.300 0.004 0.000 1.347 232 I CB -0.095 37.917 38.000 0.019 0.000 1.044 232 I HN -0.025 nan 8.210 nan 0.000 0.408 233 L N -1.080 120.006 121.223 -0.228 0.000 2.179 233 L HA -0.095 4.244 4.340 -0.000 0.000 0.208 233 L C 1.518 178.066 176.870 -0.537 0.000 1.096 233 L CA 1.094 55.621 54.840 -0.521 0.000 0.779 233 L CB -0.078 41.348 42.059 -1.056 0.000 0.922 233 L HN 0.179 nan 8.230 nan 0.000 0.443 234 F N -0.909 119.113 119.950 0.119 0.000 2.767 234 F HA 0.468 4.995 4.527 -0.000 0.000 0.323 234 F C 0.987 176.825 175.800 0.063 0.000 1.091 234 F CA -0.164 57.904 58.000 0.112 0.000 1.192 234 F CB 0.211 39.283 39.000 0.120 0.000 1.056 234 F HN -0.045 nan 8.300 nan 0.000 0.571 235 G N 0.767 109.657 108.800 0.150 0.000 2.784 235 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.686 235 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.686 235 G C -0.456 174.475 174.900 0.052 0.000 1.156 235 G CA -1.014 44.135 45.100 0.081 0.000 0.757 235 G HN -0.002 nan 8.290 nan 0.000 0.642 236 T N 4.270 118.841 114.554 0.029 0.000 2.884 236 T HA 0.511 4.861 4.350 -0.000 0.000 0.298 236 T C -1.733 172.951 174.700 -0.027 0.000 0.998 236 T CA -0.233 61.874 62.100 0.011 0.000 1.124 236 T CB 1.165 70.042 68.868 0.016 0.000 0.931 236 T HN 0.490 nan 8.240 nan 0.000 0.531 237 P HA 0.435 nan 4.420 nan 0.000 0.269 237 P C -1.043 176.192 177.300 -0.109 0.000 1.209 237 P CA -0.246 62.791 63.100 -0.105 0.000 0.776 237 P CB 0.546 32.173 31.700 -0.121 0.000 0.876 238 A N 3.572 126.306 122.820 -0.144 0.000 2.485 238 A HA 0.743 5.063 4.320 -0.000 0.000 0.292 238 A C -2.765 174.661 177.584 -0.263 0.000 1.147 238 A CA -2.032 49.904 52.037 -0.169 0.000 0.750 238 A CB 0.316 19.253 19.000 -0.104 0.000 1.331 238 A HN 0.297 nan 8.150 nan 0.000 0.419 239 P HA 0.267 nan 4.420 nan 0.000 0.264 239 P C -0.659 176.494 177.300 -0.244 0.000 1.183 239 P CA 0.418 63.252 63.100 -0.445 0.000 0.763 239 P CB 0.461 31.934 31.700 -0.379 0.000 0.807 240 V N 1.368 121.148 119.914 -0.223 0.000 2.971 240 V HA 0.683 4.803 4.120 -0.000 0.000 0.309 240 V C -1.028 175.024 176.094 -0.070 0.000 1.130 240 V CA -1.044 61.183 62.300 -0.122 0.000 0.964 240 V CB 2.286 34.036 31.823 -0.122 0.000 1.029 240 V HN 0.294 nan 8.190 nan 0.000 0.427 241 V N 2.842 122.736 119.914 -0.033 0.000 2.487 241 V HA 0.884 5.004 4.120 -0.000 0.000 0.298 241 V C -0.052 176.043 176.094 0.002 0.000 1.028 241 V CA 1.050 63.349 62.300 -0.003 0.000 0.860 241 V CB 1.612 33.440 31.823 0.008 0.000 0.991 241 V HN 1.483 nan 8.190 nan 0.000 0.427 242 T N 4.589 119.151 114.554 0.015 0.000 2.606 242 T HA 0.594 4.944 4.350 -0.000 0.000 0.280 242 T C -1.382 173.333 174.700 0.025 0.000 1.074 242 T CA -0.362 61.747 62.100 0.015 0.000 1.140 242 T CB 1.744 70.618 68.868 0.010 0.000 1.631 242 T HN 0.753 nan 8.240 nan 0.000 0.464 243 E N 0.165 120.379 120.200 0.024 0.000 2.416 243 E HA 0.630 4.980 4.350 -0.000 0.000 0.273 243 E C -1.485 175.135 176.600 0.033 0.000 0.935 243 E CA -1.015 55.400 56.400 0.026 0.000 0.784 243 E CB 2.158 31.865 29.700 0.012 0.000 1.301 243 E HN 0.695 nan 8.360 nan 0.000 0.454 244 S N 1.214 116.935 115.700 0.035 0.000 2.618 244 S HA 0.682 5.152 4.470 -0.000 0.000 0.277 244 S C -0.445 174.165 174.600 0.017 0.000 1.138 244 S CA -0.489 57.736 58.200 0.042 0.000 0.844 244 S CB 1.870 65.125 63.200 0.092 0.000 1.127 244 S HN 0.858 nan 8.310 nan 0.000 0.474 245 N N -0.699 118.006 118.700 0.009 0.000 6.155 245 N HA -0.150 4.589 4.740 -0.000 0.000 0.403 245 N C 0.239 175.737 175.510 -0.020 0.000 1.249 245 N CA 0.207 53.251 53.050 -0.010 0.000 2.077 245 N CB -0.854 37.620 38.487 -0.022 0.000 0.689 245 N HN 0.686 nan 8.380 nan 0.000 0.526 246 L N 0.544 121.755 121.223 -0.020 0.000 2.265 246 L HA -0.066 4.274 4.340 -0.000 0.000 0.215 246 L C 2.411 179.272 176.870 -0.014 0.000 1.117 246 L CA 1.646 56.474 54.840 -0.020 0.000 0.782 246 L CB -0.703 41.349 42.059 -0.011 0.000 0.914 246 L HN 0.783 nan 8.230 nan 0.000 0.441 247 G N 0.165 108.958 108.800 -0.012 0.000 2.535 247 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.218 247 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.218 247 G C 1.569 176.464 174.900 -0.008 0.000 1.122 247 G CA 0.868 45.963 45.100 -0.008 0.000 0.769 247 G HN 0.408 nan 8.290 nan 0.000 0.549 248 V N -1.259 118.648 119.914 -0.011 0.000 3.141 248 V HA 0.278 4.398 4.120 -0.000 0.000 0.265 248 V C 1.219 177.305 176.094 -0.013 0.000 1.126 248 V CA 0.088 62.381 62.300 -0.012 0.000 1.141 248 V CB -0.619 31.194 31.823 -0.015 0.000 0.743 248 V HN 0.184 nan 8.190 nan 0.000 0.492 249 L N 1.356 122.573 121.223 -0.011 0.000 2.439 249 L HA 0.366 4.705 4.340 -0.000 0.000 0.269 249 L C 0.310 177.184 176.870 0.006 0.000 1.179 249 L CA 0.313 55.151 54.840 -0.003 0.000 0.828 249 L CB 0.450 42.509 42.059 0.000 0.000 1.106 249 L HN 0.188 nan 8.230 nan 0.000 0.467 250 K N 1.409 121.818 120.400 0.015 0.000 2.463 250 K HA 0.408 4.728 4.320 -0.000 0.000 0.255 250 K C 0.376 177.009 176.600 0.056 0.000 0.942 250 K CA -0.482 55.819 56.287 0.024 0.000 0.814 250 K CB 1.977 34.482 32.500 0.009 0.000 1.122 250 K HN 0.648 nan 8.250 nan 0.000 0.425 251 A N 2.362 125.218 122.820 0.060 0.000 1.940 251 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 251 A C 1.295 178.981 177.584 0.170 0.000 1.176 251 A CA 2.049 54.139 52.037 0.088 0.000 0.631 251 A CB -0.392 18.640 19.000 0.054 0.000 0.814 251 A HN 0.864 nan 8.150 nan 0.000 0.446 252 D N -0.741 119.742 120.400 0.138 0.000 2.328 252 D HA 0.430 5.070 4.640 -0.000 0.000 0.226 252 D C 0.369 176.727 176.300 0.097 0.000 1.066 252 D CA 0.607 54.718 54.000 0.186 0.000 0.861 252 D CB -0.263 40.596 40.800 0.100 0.000 0.912 252 D HN 0.401 nan 8.370 nan 0.000 0.521 253 A N -0.103 122.746 122.820 0.048 0.000 2.354 253 A HA 0.584 4.904 4.320 -0.000 0.000 0.321 253 A C -0.395 177.086 177.584 -0.171 0.000 1.125 253 A CA -0.872 51.069 52.037 -0.158 0.000 0.799 253 A CB 1.722 20.669 19.000 -0.087 0.000 1.293 253 A HN 0.024 nan 8.150 nan 0.000 0.452 254 V N 3.291 122.986 119.914 -0.365 0.000 2.390 254 V HA 0.047 4.167 4.120 -0.000 0.000 0.260 254 V C -0.065 176.008 176.094 -0.036 0.000 1.043 254 V CA -0.291 61.925 62.300 -0.141 0.000 1.047 254 V CB -0.769 30.939 31.823 -0.193 0.000 1.066 254 V HN 0.699 nan 8.190 nan 0.000 0.481 255 N N 4.324 123.048 118.700 0.039 0.000 2.408 255 N HA 0.376 5.116 4.740 -0.000 0.000 0.257 255 N C -0.425 175.089 175.510 0.007 0.000 1.064 255 N CA -0.140 52.919 53.050 0.014 0.000 0.952 255 N CB 2.156 40.660 38.487 0.029 0.000 1.093 255 N HN 0.602 nan 8.380 nan 0.000 0.490 256 V N -0.488 119.416 119.914 -0.017 0.000 2.483 256 V HA 0.793 4.913 4.120 -0.000 0.000 0.297 256 V C 0.016 176.090 176.094 -0.033 0.000 1.027 256 V CA -1.175 61.113 62.300 -0.021 0.000 0.855 256 V CB 1.145 32.950 31.823 -0.029 0.000 0.995 256 V HN 0.589 nan 8.190 nan 0.000 0.424 257 A N 4.959 127.762 122.820 -0.028 0.000 2.309 257 A HA 0.820 5.140 4.320 -0.000 0.000 0.298 257 A C 0.121 177.687 177.584 -0.029 0.000 1.165 257 A CA -0.203 51.810 52.037 -0.040 0.000 0.821 257 A CB 1.218 20.189 19.000 -0.049 0.000 1.102 257 A HN 2.164 nan 8.150 nan 0.000 0.500 258 V N 1.284 121.172 119.914 -0.043 0.000 2.394 258 V HA 0.746 4.866 4.120 -0.000 0.000 0.282 258 V C -0.495 175.605 176.094 0.010 0.000 1.031 258 V CA -0.438 61.837 62.300 -0.041 0.000 0.881 258 V CB 1.000 32.772 31.823 -0.084 0.000 0.982 258 V HN 0.988 nan 8.190 nan 0.000 0.451 259 H N 2.485 121.488 119.070 -0.111 0.000 2.954 259 H HA 0.818 5.374 4.556 -0.000 0.000 0.361 259 H C 0.011 175.284 175.328 -0.091 0.000 1.122 259 H CA 0.285 56.278 56.048 -0.092 0.000 1.217 259 H CB 1.676 31.404 29.762 -0.058 0.000 1.776 259 H HN 1.428 nan 8.280 nan 0.000 0.533 260 G N 2.802 111.625 108.800 0.038 0.000 2.255 260 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 260 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 260 G C -0.633 174.210 174.900 -0.096 0.000 1.307 260 G CA 0.188 45.261 45.100 -0.046 0.000 1.162 260 G HN 0.638 nan 8.290 nan 0.000 0.494 261 H N 0.004 119.009 119.070 -0.109 0.000 3.436 261 H HA 0.333 4.889 4.556 -0.000 0.000 0.244 261 H C 0.682 175.864 175.328 -0.242 0.000 1.009 261 H CA 0.340 56.367 56.048 -0.035 0.000 1.129 261 H CB 0.632 30.491 29.762 0.161 0.000 1.473 261 H HN 0.321 nan 8.280 nan 0.000 0.510 262 N N 2.479 120.918 118.700 -0.435 0.000 2.426 262 N HA 0.082 4.822 4.740 -0.000 0.000 0.257 262 N C -2.174 173.093 175.510 -0.404 0.000 1.002 262 N CA -1.989 50.696 53.050 -0.607 0.000 0.942 262 N CB 1.727 39.737 38.487 -0.794 0.000 1.112 262 N HN 0.098 nan 8.380 nan 0.000 0.499 263 P HA 0.015 nan 4.420 nan 0.000 0.253 263 P C 1.111 178.168 177.300 -0.405 0.000 1.260 263 P CA 0.104 63.006 63.100 -0.331 0.000 0.800 263 P CB 0.442 31.944 31.700 -0.329 0.000 1.162 264 V N 0.469 120.247 119.914 -0.228 0.000 2.453 264 V HA -0.236 3.884 4.120 -0.000 0.000 0.252 264 V C 2.365 178.397 176.094 -0.105 0.000 1.068 264 V CA 1.918 64.244 62.300 0.044 0.000 1.070 264 V CB -1.059 30.898 31.823 0.223 0.000 0.664 264 V HN 0.122 nan 8.190 nan 0.000 0.461 265 L N 0.114 121.052 121.223 -0.475 0.000 2.200 265 L HA 0.125 4.465 4.340 -0.000 0.000 0.200 265 L C 2.434 179.132 176.870 -0.287 0.000 1.072 265 L CA 1.912 56.442 54.840 -0.517 0.000 0.787 265 L CB -2.254 39.374 42.059 -0.719 0.000 0.957 265 L HN 0.351 nan 8.230 nan 0.000 0.459 266 S N -0.669 114.850 115.700 -0.302 0.000 2.453 266 S HA -0.173 4.297 4.470 -0.000 0.000 0.231 266 S C 1.639 176.103 174.600 -0.226 0.000 1.005 266 S CA 1.006 59.067 58.200 -0.232 0.000 0.949 266 S CB -0.867 62.205 63.200 -0.213 0.000 0.774 266 S HN 0.507 nan 8.310 nan 0.000 0.510 267 D N 1.047 121.264 120.400 -0.306 0.000 2.178 267 D HA -0.013 4.627 4.640 -0.000 0.000 0.202 267 D C 1.728 177.891 176.300 -0.229 0.000 0.974 267 D CA 1.133 54.944 54.000 -0.315 0.000 0.841 267 D CB -0.047 40.348 40.800 -0.675 0.000 0.953 267 D HN 0.350 nan 8.370 nan 0.000 0.478 268 I N 0.444 120.910 120.570 -0.173 0.000 2.500 268 I HA -0.113 4.057 4.170 -0.000 0.000 0.252 268 I C 2.174 178.216 176.117 -0.124 0.000 1.142 268 I CA 0.743 61.962 61.300 -0.135 0.000 1.451 268 I CB -0.753 37.197 38.000 -0.083 0.000 1.093 268 I HN 0.192 nan 8.210 nan 0.000 0.430 269 I N 0.202 120.695 120.570 -0.129 0.000 2.394 269 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 269 I C 2.520 178.562 176.117 -0.124 0.000 1.136 269 I CA 0.757 61.990 61.300 -0.111 0.000 1.425 269 I CB -0.088 37.846 38.000 -0.111 0.000 1.079 269 I HN -0.038 nan 8.210 nan 0.000 0.425 270 V N 0.608 120.424 119.914 -0.163 0.000 2.261 270 V HA -0.286 3.833 4.120 -0.000 0.000 0.246 270 V C 2.616 178.596 176.094 -0.190 0.000 1.047 270 V CA 2.315 64.502 62.300 -0.189 0.000 1.015 270 V CB -0.766 30.893 31.823 -0.273 0.000 0.642 270 V HN 0.616 nan 8.190 nan 0.000 0.446 271 S N -0.351 115.225 115.700 -0.207 0.000 2.383 271 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 271 S C 1.922 176.454 174.600 -0.112 0.000 1.026 271 S CA 1.562 59.663 58.200 -0.165 0.000 0.981 271 S CB -0.484 62.625 63.200 -0.152 0.000 0.818 271 S HN 0.299 nan 8.310 nan 0.000 0.472 272 V N 3.096 122.950 119.914 -0.100 0.000 2.427 272 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 272 V C 3.132 179.184 176.094 -0.070 0.000 1.051 272 V CA 1.748 64.004 62.300 -0.073 0.000 1.048 272 V CB -1.146 30.642 31.823 -0.059 0.000 0.666 272 V HN 0.811 nan 8.190 nan 0.000 0.456 273 S N 0.444 116.096 115.700 -0.080 0.000 2.399 273 S HA -0.269 4.200 4.470 -0.000 0.000 0.231 273 S C 1.910 176.466 174.600 -0.073 0.000 1.022 273 S CA 1.559 59.714 58.200 -0.075 0.000 0.983 273 S CB -0.448 62.703 63.200 -0.081 0.000 0.803 273 S HN 0.621 nan 8.310 nan 0.000 0.480 274 K N 1.255 121.609 120.400 -0.077 0.000 2.148 274 K HA 0.007 4.326 4.320 -0.000 0.000 0.204 274 K C 2.223 178.788 176.600 -0.057 0.000 1.050 274 K CA 1.433 57.679 56.287 -0.068 0.000 0.942 274 K CB -0.131 32.326 32.500 -0.071 0.000 0.724 274 K HN 0.583 nan 8.250 nan 0.000 0.446 275 E N 0.111 120.278 120.200 -0.055 0.000 2.347 275 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 275 E C 1.201 177.775 176.600 -0.043 0.000 1.008 275 E CA 0.724 57.097 56.400 -0.045 0.000 0.852 275 E CB 0.089 29.764 29.700 -0.042 0.000 0.783 275 E HN 0.345 nan 8.360 nan 0.000 0.505 276 M N 0.487 120.058 119.600 -0.049 0.000 2.475 276 M HA 0.067 4.546 4.480 -0.000 0.000 0.283 276 M C 1.658 177.923 176.300 -0.057 0.000 1.165 276 M CA -0.004 55.267 55.300 -0.048 0.000 0.976 276 M CB 0.490 33.061 32.600 -0.048 0.000 1.428 276 M HN 0.031 nan 8.290 nan 0.000 0.495 277 E N 1.575 121.740 120.200 -0.058 0.000 2.077 277 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 277 E C 1.280 177.843 176.600 -0.062 0.000 0.989 277 E CA 1.466 57.826 56.400 -0.066 0.000 0.800 277 E CB 0.212 29.877 29.700 -0.058 0.000 0.746 277 E HN 0.554 nan 8.360 nan 0.000 0.452 278 N N 0.593 119.265 118.700 -0.047 0.000 2.270 278 N HA -0.166 4.574 4.740 -0.000 0.000 0.181 278 N C 1.755 177.243 175.510 -0.037 0.000 1.016 278 N CA 0.945 53.972 53.050 -0.038 0.000 0.870 278 N CB -0.222 38.248 38.487 -0.029 0.000 0.979 278 N HN 0.350 nan 8.380 nan 0.000 0.431 279 E N 1.181 121.358 120.200 -0.037 0.000 2.106 279 E HA -0.060 4.289 4.350 -0.000 0.000 0.192 279 E C 1.912 178.484 176.600 -0.046 0.000 0.984 279 E CA 0.781 57.161 56.400 -0.033 0.000 0.806 279 E CB 0.060 29.743 29.700 -0.029 0.000 0.750 279 E HN 0.322 nan 8.360 nan 0.000 0.458 280 A N 1.188 123.964 122.820 -0.075 0.000 1.898 280 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 280 A C 2.090 179.599 177.584 -0.125 0.000 1.181 280 A CA 1.336 53.298 52.037 -0.126 0.000 0.620 280 A CB -0.383 18.512 19.000 -0.174 0.000 0.819 280 A HN 0.162 nan 8.150 nan 0.000 0.442 281 R N -0.307 120.139 120.500 -0.090 0.000 2.096 281 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 281 R C 2.403 178.686 176.300 -0.027 0.000 1.127 281 R CA 1.072 57.134 56.100 -0.064 0.000 0.968 281 R CB -0.520 29.752 30.300 -0.047 0.000 0.861 281 R HN 0.493 nan 8.270 nan 0.000 0.440 282 A N 1.487 124.295 122.820 -0.021 0.000 1.948 282 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 282 A C 2.197 179.794 177.584 0.022 0.000 1.177 282 A CA 1.830 53.867 52.037 0.000 0.000 0.636 282 A CB -0.480 18.518 19.000 -0.002 0.000 0.815 282 A HN 0.398 nan 8.150 nan 0.000 0.449 283 A N -2.137 120.699 122.820 0.027 0.000 2.278 283 A HA 0.439 4.758 4.320 -0.000 0.000 0.212 283 A C 1.649 179.337 177.584 0.174 0.000 1.213 283 A CA 1.087 53.179 52.037 0.092 0.000 0.840 283 A CB -0.849 18.216 19.000 0.108 0.000 0.866 283 A HN 1.922 nan 8.150 nan 0.000 0.489 284 G N -2.044 106.815 108.800 0.099 0.000 2.141 284 G HA2 0.114 4.074 3.960 -0.000 0.000 0.231 284 G HA3 0.114 4.074 3.960 -0.000 0.000 0.231 284 G C 0.393 175.380 174.900 0.145 0.000 0.984 284 G CA 0.277 45.465 45.100 0.147 0.000 0.660 284 G HN 1.508 nan 8.290 nan 0.000 0.525 285 A N -0.318 122.403 122.820 -0.164 0.000 2.271 285 A HA 0.816 5.136 4.320 -0.000 0.000 0.288 285 A C 1.718 179.169 177.584 -0.221 0.000 1.094 285 A CA 1.085 52.825 52.037 -0.496 0.000 0.828 285 A CB 0.458 18.826 19.000 -1.053 0.000 1.091 285 A HN 1.353 nan 8.150 nan 0.000 0.493 286 T N -1.877 112.566 114.554 -0.185 0.000 2.995 286 T HA 0.433 4.782 4.350 -0.000 0.000 0.269 286 T C 0.920 175.545 174.700 -0.124 0.000 1.091 286 T CA 1.002 63.036 62.100 -0.110 0.000 1.128 286 T CB -0.359 68.466 68.868 -0.070 0.000 0.891 286 T HN 2.286 nan 8.240 nan 0.000 0.492 287 G N 0.220 108.912 108.800 -0.180 0.000 2.356 287 G HA2 0.366 4.326 3.960 -0.000 0.000 0.300 287 G HA3 0.366 4.326 3.960 -0.000 0.000 0.300 287 G C -1.735 173.060 174.900 -0.175 0.000 1.331 287 G CA -1.053 43.957 45.100 -0.150 0.000 0.905 287 G HN 0.353 nan 8.290 nan 0.000 0.587 288 I N 1.088 121.578 120.570 -0.133 0.000 2.342 288 I HA 0.275 4.444 4.170 -0.000 0.000 0.291 288 I C -0.115 175.948 176.117 -0.090 0.000 1.010 288 I CA -0.633 60.597 61.300 -0.117 0.000 1.308 288 I CB 1.574 39.517 38.000 -0.096 0.000 1.400 288 I HN 0.388 nan 8.210 nan 0.000 0.488 289 N N 6.428 125.080 118.700 -0.079 0.000 2.546 289 N HA 0.290 5.030 4.740 -0.000 0.000 0.238 289 N C -1.071 174.409 175.510 -0.050 0.000 0.984 289 N CA -0.366 52.650 53.050 -0.057 0.000 0.935 289 N CB 1.070 39.529 38.487 -0.046 0.000 1.122 289 N HN 0.258 nan 8.380 nan 0.000 0.510 290 V N 3.955 123.837 119.914 -0.054 0.000 2.461 290 V HA 0.416 4.536 4.120 -0.000 0.000 0.275 290 V C 0.375 176.440 176.094 -0.048 0.000 1.047 290 V CA -0.552 61.715 62.300 -0.054 0.000 0.955 290 V CB 0.880 32.664 31.823 -0.065 0.000 0.988 290 V HN 0.488 nan 8.190 nan 0.000 0.471 291 V N 2.333 122.216 119.914 -0.051 0.000 3.102 291 V HA 1.053 5.173 4.120 -0.000 0.000 0.312 291 V C 0.135 176.186 176.094 -0.072 0.000 1.135 291 V CA -0.489 61.777 62.300 -0.056 0.000 1.022 291 V CB 1.922 33.711 31.823 -0.056 0.000 1.056 291 V HN 0.882 nan 8.190 nan 0.000 0.436 292 G N 1.371 110.120 108.800 -0.086 0.000 2.400 292 G HA2 0.770 4.730 3.960 -0.000 0.000 0.333 292 G HA3 0.770 4.730 3.960 -0.000 0.000 0.333 292 G C -1.103 173.684 174.900 -0.187 0.000 1.143 292 G CA -0.815 44.222 45.100 -0.105 0.000 0.914 292 G HN 0.841 nan 8.290 nan 0.000 0.480 293 I N 0.305 120.752 120.570 -0.205 0.000 2.647 293 I HA 0.335 4.505 4.170 -0.000 0.000 0.295 293 I C 0.434 176.435 176.117 -0.192 0.000 1.078 293 I CA -0.426 60.666 61.300 -0.346 0.000 1.048 293 I CB 1.834 39.481 38.000 -0.588 0.000 1.239 293 I HN 0.706 nan 8.210 nan 0.000 0.421 294 C N 2.440 121.658 119.300 -0.137 0.000 0.168 294 C HA -0.286 4.174 4.460 -0.000 0.000 0.017 294 C C 2.243 177.221 174.990 -0.020 0.000 0.171 294 C CA -0.049 58.997 59.018 0.048 0.000 0.499 294 C CB -1.485 26.351 27.740 0.160 0.000 3.212 294 C HN 1.046 nan 8.230 nan 0.000 1.118 295 C N -0.347 118.817 119.300 -0.227 0.000 2.457 295 C HA -0.053 4.406 4.460 -0.000 0.000 0.278 295 C C 2.735 177.617 174.990 -0.180 0.000 1.309 295 C CA 2.018 60.870 59.018 -0.277 0.000 1.735 295 C CB -1.390 25.899 27.740 -0.752 0.000 1.992 295 C HN 0.994 nan 8.230 nan 0.000 0.493 296 T N -0.273 114.155 114.554 -0.210 0.000 2.951 296 T HA -0.001 4.349 4.350 -0.000 0.000 0.268 296 T C 1.746 176.390 174.700 -0.093 0.000 1.073 296 T CA 1.659 63.673 62.100 -0.144 0.000 1.134 296 T CB -0.324 68.443 68.868 -0.168 0.000 0.884 296 T HN 0.647 nan 8.240 nan 0.000 0.479 297 G N 1.488 110.246 108.800 -0.070 0.000 2.433 297 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.216 297 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.216 297 G C 1.711 176.606 174.900 -0.008 0.000 1.186 297 G CA 0.606 45.677 45.100 -0.049 0.000 0.779 297 G HN 0.431 nan 8.290 nan 0.000 0.543 298 N N 0.838 119.558 118.700 0.033 0.000 2.094 298 N HA -0.107 4.633 4.740 -0.000 0.000 0.191 298 N C 2.163 177.659 175.510 -0.023 0.000 1.023 298 N CA 1.243 54.330 53.050 0.062 0.000 0.857 298 N CB -0.241 38.331 38.487 0.142 0.000 1.013 298 N HN 0.365 nan 8.380 nan 0.000 0.426 299 E N 0.467 120.649 120.200 -0.030 0.000 2.058 299 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 299 E C 2.089 178.640 176.600 -0.082 0.000 0.997 299 E CA 1.200 57.571 56.400 -0.048 0.000 0.801 299 E CB -0.308 29.365 29.700 -0.046 0.000 0.746 299 E HN 0.425 nan 8.360 nan 0.000 0.450 300 V N -0.851 119.030 119.914 -0.055 0.000 3.129 300 V HA 0.007 4.127 4.120 -0.000 0.000 0.259 300 V C 2.309 178.395 176.094 -0.015 0.000 1.116 300 V CA 0.678 62.984 62.300 0.009 0.000 1.127 300 V CB -0.582 31.269 31.823 0.046 0.000 0.742 300 V HN 0.060 nan 8.190 nan 0.000 0.474 301 L N -0.746 120.449 121.223 -0.046 0.000 2.044 301 L HA -0.029 4.310 4.340 -0.000 0.000 0.205 301 L C 2.647 179.438 176.870 -0.131 0.000 1.075 301 L CA 1.731 56.537 54.840 -0.057 0.000 0.747 301 L CB -0.188 41.856 42.059 -0.024 0.000 0.903 301 L HN 0.171 nan 8.230 nan 0.000 0.435 302 M N -0.492 118.997 119.600 -0.186 0.000 2.117 302 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 302 M C 2.382 178.539 176.300 -0.239 0.000 1.065 302 M CA 1.763 56.921 55.300 -0.237 0.000 1.114 302 M CB -1.015 31.450 32.600 -0.225 0.000 1.361 302 M HN 0.296 nan 8.290 nan 0.000 0.408 303 R N -1.704 118.608 120.500 -0.314 0.000 2.173 303 R HA -0.002 4.337 4.340 -0.000 0.000 0.208 303 R C 1.025 176.938 176.300 -0.645 0.000 1.035 303 R CA 0.836 56.628 56.100 -0.513 0.000 1.004 303 R CB 0.112 29.999 30.300 -0.689 0.000 0.917 303 R HN 0.552 nan 8.270 nan 0.000 0.462 304 H N -2.087 116.949 119.070 -0.057 0.000 3.360 304 H HA 0.240 4.796 4.556 -0.000 0.000 0.262 304 H C 0.726 176.022 175.328 -0.052 0.000 1.149 304 H CA 0.267 56.285 56.048 -0.051 0.000 1.181 304 H CB 1.667 31.395 29.762 -0.055 0.000 1.564 304 H HN 0.320 nan 8.280 nan 0.000 0.565 305 G N 1.660 110.458 108.800 -0.003 0.000 2.176 305 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 305 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 305 G C -0.032 174.873 174.900 0.009 0.000 1.024 305 G CA 0.021 45.115 45.100 -0.009 0.000 0.755 305 G HN 0.221 nan 8.290 nan 0.000 0.507 306 I N 2.005 122.588 120.570 0.022 0.000 2.668 306 I HA 0.133 4.303 4.170 -0.000 0.000 0.285 306 I C -1.229 174.887 176.117 -0.002 0.000 1.168 306 I CA -1.923 59.380 61.300 0.007 0.000 1.424 306 I CB 0.140 38.143 38.000 0.006 0.000 1.377 306 I HN 0.030 nan 8.210 nan 0.000 0.560 307 P HA 0.132 nan 4.420 nan 0.000 0.271 307 P C -0.747 176.545 177.300 -0.014 0.000 1.218 307 P CA -0.449 62.649 63.100 -0.002 0.000 0.780 307 P CB 0.820 32.515 31.700 -0.008 0.000 0.901 308 A N 2.209 125.030 122.820 0.002 0.000 2.289 308 A HA 0.317 4.637 4.320 -0.000 0.000 0.298 308 A C 1.485 179.020 177.584 -0.082 0.000 1.208 308 A CA -0.463 51.552 52.037 -0.036 0.000 0.845 308 A CB -0.320 18.721 19.000 0.069 0.000 1.125 308 A HN 0.799 nan 8.150 nan 0.000 0.517 309 C N 1.241 120.450 119.300 -0.152 0.000 2.518 309 C HA 0.523 4.983 4.460 -0.000 0.000 0.283 309 C C 0.988 175.875 174.990 -0.173 0.000 1.351 309 C CA 0.987 59.927 59.018 -0.129 0.000 1.745 309 C CB -0.484 27.195 27.740 -0.102 0.000 2.107 309 C HN 0.982 nan 8.230 nan 0.000 0.502 310 T N -1.930 112.420 114.554 -0.341 0.000 2.658 310 T HA 0.515 4.864 4.350 -0.000 0.000 0.305 310 T C -2.252 172.022 174.700 -0.710 0.000 1.551 310 T CA -0.375 61.520 62.100 -0.343 0.000 0.985 310 T CB 1.137 69.934 68.868 -0.118 0.000 1.731 310 T HN 0.628 nan 8.240 nan 0.000 0.486 311 H N -0.181 118.871 119.070 -0.030 0.000 2.928 311 H HA 0.737 5.293 4.556 -0.000 0.000 0.371 311 H C 0.713 176.048 175.328 0.011 0.000 1.186 311 H CA 0.332 56.368 56.048 -0.021 0.000 1.134 311 H CB 1.583 31.340 29.762 -0.007 0.000 1.824 311 H HN 0.789 nan 8.280 nan 0.000 0.554 312 S N -0.249 115.545 115.700 0.156 0.000 4.149 312 S HA -0.332 4.137 4.470 -0.000 0.000 0.538 312 S C 1.865 176.506 174.600 0.069 0.000 1.671 312 S CA 2.319 60.600 58.200 0.135 0.000 4.030 312 S CB -1.236 62.057 63.200 0.156 0.000 1.255 312 S HN 0.600 nan 8.310 nan 0.000 0.471 313 V N 2.354 122.293 119.914 0.040 0.000 2.759 313 V HA 0.031 4.151 4.120 -0.000 0.000 0.256 313 V C 2.067 178.092 176.094 -0.115 0.000 1.080 313 V CA 2.740 64.972 62.300 -0.114 0.000 1.101 313 V CB -0.427 31.294 31.823 -0.171 0.000 0.698 313 V HN 0.986 nan 8.190 nan 0.000 0.477 314 S N -0.366 115.395 115.700 0.102 0.000 2.597 314 S HA 0.007 4.477 4.470 -0.000 0.000 0.224 314 S C 1.591 176.253 174.600 0.103 0.000 0.955 314 S CA 0.308 58.642 58.200 0.224 0.000 0.933 314 S CB 0.144 63.533 63.200 0.314 0.000 0.788 314 S HN 0.846 nan 8.310 nan 0.000 0.488 315 Q N 1.870 121.686 119.800 0.026 0.000 2.135 315 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 315 Q C 1.375 177.375 176.000 -0.000 0.000 0.981 315 Q CA 1.790 57.568 55.803 -0.042 0.000 0.856 315 Q CB -0.791 27.904 28.738 -0.072 0.000 0.902 315 Q HN 0.672 nan 8.270 nan 0.000 0.425 316 E N 0.317 120.546 120.200 0.048 0.000 2.204 316 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 316 E C 1.950 178.591 176.600 0.069 0.000 0.990 316 E CA 1.049 57.487 56.400 0.063 0.000 0.821 316 E CB -0.044 29.706 29.700 0.083 0.000 0.750 316 E HN 0.412 nan 8.360 nan 0.000 0.477 317 M N 0.244 119.897 119.600 0.088 0.000 2.229 317 M HA -0.060 4.419 4.480 -0.000 0.000 0.264 317 M C 2.390 178.712 176.300 0.037 0.000 1.063 317 M CA 1.039 56.387 55.300 0.080 0.000 1.114 317 M CB -0.984 31.679 32.600 0.105 0.000 1.387 317 M HN 0.133 nan 8.290 nan 0.000 0.420 318 A N 0.397 123.223 122.820 0.011 0.000 1.940 318 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 318 A C 2.241 179.828 177.584 0.005 0.000 1.176 318 A CA 1.684 53.715 52.037 -0.009 0.000 0.631 318 A CB -0.568 18.406 19.000 -0.044 0.000 0.814 318 A HN 0.523 nan 8.150 nan 0.000 0.446 319 M N -0.576 119.033 119.600 0.015 0.000 2.200 319 M HA -0.039 4.440 4.480 -0.000 0.000 0.265 319 M C 1.672 177.987 176.300 0.024 0.000 1.066 319 M CA 0.989 56.302 55.300 0.022 0.000 1.127 319 M CB -0.438 32.180 32.600 0.031 0.000 1.379 319 M HN 0.239 nan 8.290 nan 0.000 0.420 320 I N 1.046 121.635 120.570 0.031 0.000 2.567 320 I HA -0.189 3.980 4.170 -0.000 0.000 0.257 320 I C 2.614 178.744 176.117 0.021 0.000 1.184 320 I CA 1.772 63.091 61.300 0.031 0.000 1.451 320 I CB -1.866 36.160 38.000 0.042 0.000 1.089 320 I HN 0.455 nan 8.210 nan 0.000 0.441 321 T N -1.163 113.401 114.554 0.017 0.000 2.803 321 T HA -0.077 4.272 4.350 -0.000 0.000 0.269 321 T C 1.796 176.501 174.700 0.009 0.000 1.052 321 T CA 1.294 63.401 62.100 0.011 0.000 1.136 321 T CB -0.553 68.321 68.868 0.010 0.000 0.864 321 T HN 0.500 nan 8.240 nan 0.000 0.467 322 G N 0.783 109.589 108.800 0.010 0.000 2.179 322 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.260 322 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.260 322 G C 0.826 175.730 174.900 0.006 0.000 0.977 322 G CA 0.195 45.299 45.100 0.005 0.000 0.641 322 G HN 1.352 nan 8.290 nan 0.000 0.533 323 A N -0.934 121.895 122.820 0.016 0.000 2.348 323 A HA 0.703 5.023 4.320 -0.000 0.000 0.224 323 A C 0.822 178.432 177.584 0.043 0.000 1.227 323 A CA 0.632 52.688 52.037 0.032 0.000 0.885 323 A CB 0.265 19.286 19.000 0.035 0.000 0.933 323 A HN 1.081 nan 8.150 nan 0.000 0.506 324 L N 1.092 122.333 121.223 0.029 0.000 2.282 324 L HA 0.304 4.644 4.340 -0.000 0.000 0.287 324 L C 0.200 177.092 176.870 0.036 0.000 1.075 324 L CA -0.009 54.847 54.840 0.027 0.000 0.839 324 L CB 0.252 42.319 42.059 0.013 0.000 1.219 324 L HN 0.207 nan 8.230 nan 0.000 0.434 325 D N 3.591 124.023 120.400 0.054 0.000 2.149 325 D HA 0.077 4.717 4.640 -0.000 0.000 0.201 325 D C 0.371 176.697 176.300 0.043 0.000 0.972 325 D CA 1.108 55.147 54.000 0.065 0.000 0.835 325 D CB 0.419 41.290 40.800 0.119 0.000 0.966 325 D HN 0.553 nan 8.370 nan 0.000 0.476 326 A N 0.030 122.867 122.820 0.029 0.000 2.539 326 A HA 0.655 4.974 4.320 -0.000 0.000 0.296 326 A C -1.231 176.361 177.584 0.013 0.000 1.073 326 A CA -0.610 51.438 52.037 0.018 0.000 0.700 326 A CB 2.173 21.179 19.000 0.010 0.000 1.296 326 A HN 0.062 nan 8.150 nan 0.000 0.405 327 M N 3.089 122.700 119.600 0.018 0.000 2.106 327 M HA 0.570 5.049 4.480 -0.000 0.000 0.288 327 M C -2.067 174.245 176.300 0.020 0.000 0.941 327 M CA -0.418 54.899 55.300 0.029 0.000 0.934 327 M CB 0.624 33.258 32.600 0.057 0.000 1.551 327 M HN 0.597 nan 8.290 nan 0.000 0.437 328 I N 6.454 127.025 120.570 0.002 0.000 2.328 328 I HA 0.354 4.524 4.170 -0.000 0.000 0.287 328 I C -0.898 175.188 176.117 -0.052 0.000 1.012 328 I CA -0.555 60.724 61.300 -0.035 0.000 1.195 328 I CB 1.089 39.052 38.000 -0.062 0.000 1.350 328 I HN 0.635 nan 8.210 nan 0.000 0.464 329 L N 6.016 127.197 121.223 -0.069 0.000 2.317 329 L HA 0.412 4.752 4.340 -0.000 0.000 0.281 329 L C 0.161 176.939 176.870 -0.154 0.000 1.024 329 L CA -0.556 54.220 54.840 -0.107 0.000 0.810 329 L CB 1.574 43.584 42.059 -0.081 0.000 1.240 329 L HN 0.610 nan 8.230 nan 0.000 0.427 330 D N 1.050 121.312 120.400 -0.230 0.000 2.855 330 D HA 0.128 4.767 4.640 -0.000 0.000 0.257 330 D C -0.549 175.629 176.300 -0.204 0.000 1.542 330 D CA 0.522 54.322 54.000 -0.333 0.000 1.164 330 D CB 0.029 40.447 40.800 -0.637 0.000 1.004 330 D HN 0.322 nan 8.370 nan 0.000 0.293 331 Y N -2.637 117.620 120.300 -0.071 0.000 2.597 331 Y HA 0.623 5.173 4.550 -0.000 0.000 0.340 331 Y C -1.075 174.818 175.900 -0.011 0.000 1.097 331 Y CA -1.719 56.355 58.100 -0.044 0.000 1.037 331 Y CB 0.614 39.056 38.460 -0.030 0.000 1.305 331 Y HN 0.237 nan 8.280 nan 0.000 0.463 332 Q N -0.058 119.856 119.800 0.191 0.000 3.195 332 Q HA -0.085 4.254 4.340 -0.000 0.000 0.038 332 Q C -0.328 175.727 176.000 0.090 0.000 1.688 332 Q CA 0.518 56.350 55.803 0.047 0.000 0.257 332 Q CB -1.206 27.386 28.738 -0.244 0.000 0.583 332 Q HN 1.385 nan 8.270 nan 0.000 0.322 333 C N 0.390 119.745 119.300 0.092 0.000 4.497 333 C HA -0.210 4.250 4.460 -0.000 0.000 0.268 333 C C 0.601 175.670 174.990 0.132 0.000 1.343 333 C CA 0.719 59.838 59.018 0.168 0.000 1.742 333 C CB -2.107 25.797 27.740 0.273 0.000 1.450 333 C HN 0.567 nan 8.230 nan 0.000 0.733 334 I N 1.361 121.929 120.570 -0.003 0.000 2.291 334 I HA 0.191 4.361 4.170 -0.000 0.000 0.290 334 I C 0.760 176.900 176.117 0.038 0.000 1.050 334 I CA 0.491 61.741 61.300 -0.083 0.000 1.245 334 I CB 0.567 38.401 38.000 -0.277 0.000 1.405 334 I HN 0.270 nan 8.210 nan 0.000 0.478 335 Q N 8.548 128.406 119.800 0.096 0.000 2.247 335 Q HA 0.027 4.366 4.340 -0.000 0.000 0.288 335 Q C -1.280 174.748 176.000 0.046 0.000 1.079 335 Q CA -1.123 54.715 55.803 0.058 0.000 0.932 335 Q CB 0.624 29.392 28.738 0.049 0.000 1.133 335 Q HN 0.435 nan 8.270 nan 0.000 0.377 336 P HA -0.148 nan 4.420 nan 0.000 0.230 336 P C 0.998 178.316 177.300 0.030 0.000 1.158 336 P CA 0.892 64.008 63.100 0.027 0.000 0.769 336 P CB 0.225 31.936 31.700 0.019 0.000 0.807 337 S N 0.630 116.348 115.700 0.031 0.000 2.420 337 S HA -0.191 4.278 4.470 -0.000 0.000 0.237 337 S C 2.019 176.644 174.600 0.041 0.000 1.023 337 S CA 1.694 59.914 58.200 0.033 0.000 0.991 337 S CB -2.053 61.166 63.200 0.032 0.000 0.792 337 S HN 0.182 nan 8.310 nan 0.000 0.488 338 V N 0.411 120.356 119.914 0.051 0.000 2.469 338 V HA -0.049 4.071 4.120 -0.000 0.000 0.251 338 V C 2.702 178.824 176.094 0.047 0.000 1.064 338 V CA 1.571 63.906 62.300 0.058 0.000 1.066 338 V CB -1.856 30.017 31.823 0.082 0.000 0.667 338 V HN 0.578 nan 8.190 nan 0.000 0.461 339 A N -0.095 122.750 122.820 0.041 0.000 1.972 339 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 339 A C 2.438 180.041 177.584 0.032 0.000 1.169 339 A CA 2.480 54.538 52.037 0.035 0.000 0.635 339 A CB -1.029 17.991 19.000 0.033 0.000 0.810 339 A HN 0.609 nan 8.150 nan 0.000 0.446 340 T N -0.866 113.706 114.554 0.031 0.000 2.894 340 T HA 0.035 4.384 4.350 -0.000 0.000 0.258 340 T C 1.695 176.413 174.700 0.030 0.000 1.043 340 T CA 1.167 63.284 62.100 0.028 0.000 1.141 340 T CB -0.393 68.492 68.868 0.027 0.000 0.873 340 T HN 0.353 nan 8.240 nan 0.000 0.449 341 I N 1.668 122.259 120.570 0.035 0.000 2.493 341 I HA 0.010 4.179 4.170 -0.000 0.000 0.254 341 I C 2.858 178.994 176.117 0.032 0.000 1.160 341 I CA 0.856 62.178 61.300 0.036 0.000 1.445 341 I CB -0.424 37.602 38.000 0.043 0.000 1.086 341 I HN 0.238 nan 8.210 nan 0.000 0.433 342 A N 0.670 123.509 122.820 0.032 0.000 1.986 342 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 342 A C 2.209 179.807 177.584 0.023 0.000 1.171 342 A CA 1.612 53.666 52.037 0.028 0.000 0.640 342 A CB -0.382 18.636 19.000 0.030 0.000 0.811 342 A HN 0.344 nan 8.150 nan 0.000 0.451 343 E N -0.524 119.690 120.200 0.022 0.000 2.204 343 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 343 E C 2.067 178.677 176.600 0.016 0.000 0.989 343 E CA 1.196 57.607 56.400 0.018 0.000 0.824 343 E CB -0.617 29.093 29.700 0.018 0.000 0.756 343 E HN 0.739 nan 8.360 nan 0.000 0.477 344 C N 0.115 119.425 119.300 0.018 0.000 2.505 344 C HA 0.001 4.461 4.460 -0.000 0.000 0.279 344 C C 2.751 177.749 174.990 0.014 0.000 1.316 344 C CA 1.216 60.244 59.018 0.017 0.000 1.720 344 C CB -0.929 26.824 27.740 0.022 0.000 2.050 344 C HN 0.542 nan 8.230 nan 0.000 0.493 345 T N -2.381 112.183 114.554 0.016 0.000 3.037 345 T HA 0.331 4.681 4.350 -0.000 0.000 0.251 345 T C 1.442 176.147 174.700 0.009 0.000 1.079 345 T CA 1.059 63.167 62.100 0.014 0.000 1.067 345 T CB -0.206 68.674 68.868 0.020 0.000 0.948 345 T HN 1.020 nan 8.240 nan 0.000 0.496 346 G N 1.532 110.338 108.800 0.010 0.000 2.289 346 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.280 346 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.280 346 G C -0.078 174.829 174.900 0.012 0.000 1.089 346 G CA 0.130 45.234 45.100 0.006 0.000 0.939 346 G HN 0.716 nan 8.290 nan 0.000 0.499 347 T N 0.752 115.316 114.554 0.018 0.000 2.824 347 T HA 0.582 4.932 4.350 -0.000 0.000 0.280 347 T C 0.466 175.181 174.700 0.024 0.000 0.995 347 T CA -0.039 62.075 62.100 0.023 0.000 1.009 347 T CB 1.562 70.445 68.868 0.026 0.000 0.955 347 T HN 0.217 nan 8.240 nan 0.000 0.452 348 T N 3.173 117.742 114.554 0.025 0.000 2.727 348 T HA 0.351 4.700 4.350 -0.000 0.000 0.298 348 T C 0.156 174.870 174.700 0.024 0.000 0.942 348 T CA -0.408 61.707 62.100 0.024 0.000 0.997 348 T CB 0.198 69.080 68.868 0.022 0.000 0.917 348 T HN 0.304 nan 8.240 nan 0.000 0.487 349 V N 6.112 126.043 119.914 0.027 0.000 2.432 349 V HA 0.447 4.567 4.120 -0.000 0.000 0.275 349 V C 0.112 176.221 176.094 0.025 0.000 1.043 349 V CA -0.577 61.741 62.300 0.030 0.000 0.925 349 V CB 0.835 32.681 31.823 0.038 0.000 0.985 349 V HN 0.765 nan 8.190 nan 0.000 0.466 350 I N 4.555 125.133 120.570 0.013 0.000 2.466 350 I HA 0.419 4.589 4.170 -0.000 0.000 0.289 350 I C 0.398 176.511 176.117 -0.008 0.000 1.026 350 I CA -0.314 60.985 61.300 -0.001 0.000 1.078 350 I CB 2.398 40.384 38.000 -0.023 0.000 1.249 350 I HN 0.695 nan 8.210 nan 0.000 0.429 351 T N 0.177 114.745 114.554 0.024 0.000 2.934 351 T HA 0.485 4.835 4.350 -0.000 0.000 0.283 351 T C 0.611 175.235 174.700 -0.127 0.000 1.005 351 T CA -0.082 62.051 62.100 0.055 0.000 1.041 351 T CB 1.750 70.768 68.868 0.250 0.000 1.042 351 T HN 0.763 nan 8.240 nan 0.000 0.505 352 T N -2.207 112.305 114.554 -0.070 0.000 3.046 352 T HA 0.321 4.670 4.350 -0.000 0.000 0.270 352 T C 0.391 175.160 174.700 0.114 0.000 0.920 352 T CA -0.493 61.533 62.100 -0.123 0.000 0.874 352 T CB 0.136 68.948 68.868 -0.093 0.000 1.214 352 T HN 0.551 nan 8.240 nan 0.000 0.536 353 M N 1.784 121.521 119.600 0.229 0.000 2.364 353 M HA 0.505 4.985 4.480 -0.000 0.000 0.334 353 M C 1.015 177.512 176.300 0.327 0.000 1.107 353 M CA -0.476 54.994 55.300 0.284 0.000 0.988 353 M CB 2.114 34.855 32.600 0.235 0.000 1.673 353 M HN -0.055 nan 8.290 nan 0.000 0.441 354 E N 3.137 123.492 120.200 0.258 0.000 2.130 354 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 354 E C 1.229 177.865 176.600 0.060 0.000 0.998 354 E CA 2.210 58.687 56.400 0.129 0.000 0.806 354 E CB -0.048 29.715 29.700 0.105 0.000 0.738 354 E HN 0.706 nan 8.360 nan 0.000 0.459 355 M N -1.502 118.160 119.600 0.104 0.000 2.505 355 M HA 0.277 4.756 4.480 -0.000 0.000 0.230 355 M C 0.297 176.638 176.300 0.068 0.000 1.153 355 M CA 0.168 55.503 55.300 0.058 0.000 0.997 355 M CB 0.829 33.452 32.600 0.039 0.000 1.606 355 M HN -0.113 nan 8.290 nan 0.000 0.481 356 S N 1.004 116.770 115.700 0.110 0.000 2.312 356 S HA 0.458 4.928 4.470 -0.000 0.000 0.173 356 S C -0.821 173.833 174.600 0.091 0.000 1.488 356 S CA -0.777 57.489 58.200 0.109 0.000 1.239 356 S CB 0.287 63.600 63.200 0.189 0.000 1.215 356 S HN 0.365 nan 8.310 nan 0.000 0.438 357 K N 2.347 122.766 120.400 0.031 0.000 2.221 357 K HA 0.682 5.002 4.320 -0.000 0.000 0.243 357 K C -0.902 175.711 176.600 0.023 0.000 0.968 357 K CA -0.870 55.427 56.287 0.018 0.000 0.846 357 K CB 1.842 34.288 32.500 -0.089 0.000 1.141 357 K HN 0.421 nan 8.250 nan 0.000 0.434 358 I N 1.358 121.949 120.570 0.035 0.000 2.478 358 I HA 0.129 4.299 4.170 -0.000 0.000 0.287 358 I C -0.330 175.803 176.117 0.026 0.000 1.042 358 I CA -0.846 60.470 61.300 0.028 0.000 1.067 358 I CB 2.128 40.147 38.000 0.032 0.000 1.233 358 I HN 0.515 nan 8.210 nan 0.000 0.431 359 T N 4.604 119.168 114.554 0.016 0.000 2.866 359 T HA 0.210 4.560 4.350 -0.000 0.000 0.293 359 T C 1.184 175.897 174.700 0.022 0.000 1.005 359 T CA 1.308 63.417 62.100 0.015 0.000 1.162 359 T CB 0.564 69.438 68.868 0.010 0.000 0.968 359 T HN 1.145 nan 8.240 nan 0.000 0.530 360 G N 1.789 110.604 108.800 0.025 0.000 2.213 360 G HA2 -0.066 3.893 3.960 -0.000 0.000 0.236 360 G HA3 -0.066 3.893 3.960 -0.000 0.000 0.236 360 G C 0.253 175.173 174.900 0.034 0.000 0.991 360 G CA -0.067 45.049 45.100 0.027 0.000 0.629 360 G HN 1.166 nan 8.290 nan 0.000 0.517 361 A N 0.249 123.095 122.820 0.042 0.000 2.302 361 A HA 0.757 5.077 4.320 -0.000 0.000 0.285 361 A C 0.604 178.227 177.584 0.065 0.000 1.105 361 A CA 0.812 52.880 52.037 0.051 0.000 0.816 361 A CB 0.542 19.577 19.000 0.059 0.000 1.067 361 A HN 0.764 nan 8.150 nan 0.000 0.489 362 T N 1.516 116.105 114.554 0.058 0.000 2.832 362 T HA 0.364 4.714 4.350 -0.000 0.000 0.296 362 T C -0.308 174.446 174.700 0.090 0.000 0.968 362 T CA 0.391 62.530 62.100 0.065 0.000 1.107 362 T CB 0.194 69.084 68.868 0.037 0.000 0.916 362 T HN 0.663 nan 8.240 nan 0.000 0.517 363 H N 1.695 120.778 119.070 0.022 0.000 2.458 363 H HA 0.556 5.111 4.556 -0.000 0.000 0.330 363 H C -1.012 174.336 175.328 0.033 0.000 1.111 363 H CA -0.526 55.539 56.048 0.028 0.000 1.245 363 H CB 0.746 30.525 29.762 0.028 0.000 1.456 363 H HN 0.337 nan 8.280 nan 0.000 0.488 364 V N 5.729 125.359 119.914 -0.473 0.000 2.350 364 V HA 0.107 4.227 4.120 -0.000 0.000 0.285 364 V C 0.129 176.006 176.094 -0.360 0.000 1.014 364 V CA -1.137 60.994 62.300 -0.282 0.000 0.831 364 V CB 0.882 32.628 31.823 -0.128 0.000 1.000 364 V HN 0.801 nan 8.190 nan 0.000 0.433 365 N N 3.928 122.553 118.700 -0.125 0.000 2.414 365 N HA -0.019 4.721 4.740 -0.000 0.000 0.268 365 N C -0.721 174.810 175.510 0.034 0.000 1.286 365 N CA 0.204 53.266 53.050 0.020 0.000 0.896 365 N CB 0.212 38.749 38.487 0.083 0.000 1.093 365 N HN 0.568 nan 8.380 nan 0.000 0.480 366 F N 3.179 123.109 119.950 -0.033 0.000 2.404 366 F HA 0.602 5.129 4.527 -0.000 0.000 0.345 366 F C -0.343 175.491 175.800 0.056 0.000 1.110 366 F CA -0.884 57.123 58.000 0.010 0.000 1.130 366 F CB 0.622 39.624 39.000 0.004 0.000 1.129 366 F HN 0.454 nan 8.300 nan 0.000 0.500 367 A N 4.970 127.226 122.820 -0.941 0.000 2.414 367 A HA 0.522 4.841 4.320 -0.000 0.000 0.306 367 A C 0.564 177.596 177.584 -0.921 0.000 1.054 367 A CA -0.641 50.840 52.037 -0.928 0.000 0.724 367 A CB 1.197 19.983 19.000 -0.355 0.000 1.267 367 A HN 0.771 nan 8.150 nan 0.000 0.418 368 E N 0.998 120.808 120.200 -0.650 0.000 2.086 368 E HA -0.231 4.119 4.350 -0.000 0.000 0.200 368 E C 1.669 178.334 176.600 0.108 0.000 1.012 368 E CA 2.191 58.572 56.400 -0.030 0.000 0.812 368 E CB -0.019 29.629 29.700 -0.088 0.000 0.743 368 E HN 0.763 nan 8.360 nan 0.000 0.453 369 E N -0.160 120.026 120.200 -0.023 0.000 2.267 369 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 369 E C 0.964 177.577 176.600 0.021 0.000 0.998 369 E CA 1.284 57.694 56.400 0.017 0.000 0.830 369 E CB -0.128 29.558 29.700 -0.024 0.000 0.751 369 E HN 0.236 nan 8.360 nan 0.000 0.491 370 A N 0.372 123.186 122.820 -0.010 0.000 2.606 370 A HA 0.638 4.958 4.320 -0.000 0.000 0.290 370 A C 1.822 179.442 177.584 0.061 0.000 1.174 370 A CA 0.352 52.392 52.037 0.006 0.000 0.958 370 A CB 0.255 19.237 19.000 -0.029 0.000 1.194 370 A HN 0.194 nan 8.150 nan 0.000 0.526 371 A N -0.314 122.590 122.820 0.139 0.000 1.902 371 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 371 A C 1.988 179.658 177.584 0.142 0.000 1.181 371 A CA 2.093 54.293 52.037 0.271 0.000 0.623 371 A CB -0.545 18.695 19.000 0.400 0.000 0.818 371 A HN 0.447 nan 8.150 nan 0.000 0.443 372 V N 0.024 119.978 119.914 0.065 0.000 2.323 372 V HA -0.164 3.956 4.120 -0.000 0.000 0.244 372 V C 2.545 178.655 176.094 0.026 0.000 1.041 372 V CA 2.001 64.316 62.300 0.024 0.000 1.025 372 V CB -0.681 31.142 31.823 -0.001 0.000 0.656 372 V HN 0.470 nan 8.190 nan 0.000 0.451 373 E N 0.574 120.791 120.200 0.029 0.000 2.153 373 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 373 E C 1.978 178.596 176.600 0.031 0.000 0.988 373 E CA 1.330 57.743 56.400 0.022 0.000 0.811 373 E CB -0.621 29.088 29.700 0.015 0.000 0.746 373 E HN 0.756 nan 8.360 nan 0.000 0.466 374 N N 0.910 119.645 118.700 0.057 0.000 2.058 374 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 374 N C 1.941 177.481 175.510 0.050 0.000 1.037 374 N CA 1.253 54.346 53.050 0.071 0.000 0.848 374 N CB -0.204 38.377 38.487 0.158 0.000 1.021 374 N HN 0.116 nan 8.380 nan 0.000 0.422 375 A N 1.797 124.648 122.820 0.051 0.000 1.903 375 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 375 A C 2.063 179.645 177.584 -0.004 0.000 1.191 375 A CA 1.632 53.675 52.037 0.010 0.000 0.638 375 A CB -0.465 18.532 19.000 -0.005 0.000 0.823 375 A HN 0.224 nan 8.150 nan 0.000 0.451 376 K N -1.036 119.364 120.400 -0.001 0.000 2.097 376 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 376 K C 2.431 179.029 176.600 -0.003 0.000 1.050 376 K CA 1.374 57.657 56.287 -0.007 0.000 0.938 376 K CB -0.161 32.336 32.500 -0.006 0.000 0.718 376 K HN 0.721 nan 8.250 nan 0.000 0.442 377 Q N 1.177 120.979 119.800 0.003 0.000 2.061 377 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 377 Q C 2.027 178.027 176.000 -0.001 0.000 0.984 377 Q CA 1.564 57.369 55.803 0.003 0.000 0.846 377 Q CB -0.087 28.655 28.738 0.006 0.000 0.902 377 Q HN 0.290 nan 8.270 nan 0.000 0.421 378 I N 0.540 121.108 120.570 -0.004 0.000 2.179 378 I HA -0.312 3.858 4.170 -0.000 0.000 0.242 378 I C 2.243 178.353 176.117 -0.011 0.000 1.088 378 I CA 0.994 62.287 61.300 -0.011 0.000 1.357 378 I CB -0.177 37.810 38.000 -0.021 0.000 1.051 378 I HN 0.274 nan 8.210 nan 0.000 0.409 379 L N 0.103 121.317 121.223 -0.016 0.000 2.141 379 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 379 L C 2.684 179.548 176.870 -0.009 0.000 1.094 379 L CA 1.054 55.883 54.840 -0.019 0.000 0.763 379 L CB -0.539 41.502 42.059 -0.031 0.000 0.908 379 L HN 0.202 nan 8.230 nan 0.000 0.437 380 R N 0.019 120.517 120.500 -0.004 0.000 2.115 380 R HA -0.078 4.262 4.340 -0.000 0.000 0.230 380 R C 2.211 178.519 176.300 0.014 0.000 1.111 380 R CA 0.978 57.081 56.100 0.004 0.000 0.976 380 R CB -0.359 29.943 30.300 0.004 0.000 0.870 380 R HN 0.376 nan 8.270 nan 0.000 0.445 381 L N 0.375 121.605 121.223 0.012 0.000 2.056 381 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 381 L C 2.731 179.619 176.870 0.029 0.000 1.078 381 L CA 1.173 56.024 54.840 0.019 0.000 0.749 381 L CB -0.619 41.447 42.059 0.013 0.000 0.901 381 L HN 0.179 nan 8.230 nan 0.000 0.433 382 A N 0.438 123.273 122.820 0.025 0.000 1.902 382 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 382 A C 2.213 179.843 177.584 0.076 0.000 1.181 382 A CA 1.506 53.567 52.037 0.040 0.000 0.623 382 A CB -0.664 18.347 19.000 0.018 0.000 0.818 382 A HN 0.340 nan 8.150 nan 0.000 0.443 383 I N -0.034 120.569 120.570 0.056 0.000 2.286 383 I HA -0.243 3.926 4.170 -0.000 0.000 0.248 383 I C 1.764 177.964 176.117 0.138 0.000 1.115 383 I CA 1.404 62.756 61.300 0.087 0.000 1.392 383 I CB -0.427 37.592 38.000 0.031 0.000 1.065 383 I HN 0.240 nan 8.210 nan 0.000 0.418 384 D N 0.382 120.832 120.400 0.083 0.000 2.144 384 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 384 D C 2.229 178.569 176.300 0.066 0.000 0.984 384 D CA 1.560 55.600 54.000 0.068 0.000 0.834 384 D CB -0.314 40.510 40.800 0.040 0.000 0.955 384 D HN 0.289 nan 8.370 nan 0.000 0.465 385 T N 0.391 114.989 114.554 0.073 0.000 2.857 385 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 385 T C 1.705 176.440 174.700 0.059 0.000 1.048 385 T CA 0.412 62.544 62.100 0.054 0.000 1.139 385 T CB -0.425 68.474 68.868 0.052 0.000 0.874 385 T HN 0.135 nan 8.240 nan 0.000 0.455 386 F N 2.349 122.295 119.950 -0.005 0.000 2.091 386 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 386 F C 2.170 177.968 175.800 -0.004 0.000 1.103 386 F CA 1.468 59.465 58.000 -0.006 0.000 1.228 386 F CB -0.178 38.817 39.000 -0.008 0.000 0.984 386 F HN -0.036 nan 8.300 nan 0.000 0.477 387 K N -0.105 120.301 120.400 0.010 0.000 2.147 387 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 387 K C 2.176 178.694 176.600 -0.137 0.000 1.049 387 K CA 1.351 57.597 56.287 -0.069 0.000 0.936 387 K CB -0.237 32.298 32.500 0.060 0.000 0.722 387 K HN 0.311 nan 8.250 nan 0.000 0.446 388 R N 0.819 121.264 120.500 -0.092 0.000 2.189 388 R HA -0.104 4.235 4.340 -0.000 0.000 0.223 388 R C 1.782 178.013 176.300 -0.116 0.000 1.092 388 R CA 1.081 57.135 56.100 -0.077 0.000 0.989 388 R CB -0.025 30.252 30.300 -0.039 0.000 0.876 388 R HN 0.261 nan 8.270 nan 0.000 0.457 389 R N 0.686 121.071 120.500 -0.191 0.000 2.466 389 R HA 0.148 4.488 4.340 -0.000 0.000 0.279 389 R C -0.042 176.102 176.300 -0.260 0.000 0.976 389 R CA -0.269 55.713 56.100 -0.196 0.000 1.081 389 R CB 0.051 30.247 30.300 -0.173 0.000 1.215 389 R HN -0.198 nan 8.270 nan 0.000 0.546 390 K N 1.487 121.716 120.400 -0.284 0.000 2.440 390 K HA -0.019 4.300 4.320 -0.000 0.000 0.275 390 K C 0.499 177.021 176.600 -0.130 0.000 1.082 390 K CA 1.483 57.638 56.287 -0.221 0.000 1.135 390 K CB -0.048 32.358 32.500 -0.156 0.000 0.864 390 K HN 0.568 nan 8.250 nan 0.000 0.479 391 G N 3.145 111.879 108.800 -0.109 0.000 2.147 391 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.244 391 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.244 391 G C -0.228 174.636 174.900 -0.060 0.000 1.005 391 G CA 0.364 45.423 45.100 -0.067 0.000 0.713 391 G HN 0.571 nan 8.290 nan 0.000 0.515 392 K N 1.493 121.848 120.400 -0.075 0.000 2.265 392 K HA 0.562 4.882 4.320 -0.000 0.000 0.267 392 K C -1.670 174.903 176.600 -0.045 0.000 0.994 392 K CA -1.997 54.256 56.287 -0.057 0.000 0.860 392 K CB 1.489 33.950 32.500 -0.066 0.000 1.099 392 K HN 0.119 nan 8.250 nan 0.000 0.448 393 P HA -0.017 nan 4.420 nan 0.000 0.267 393 P C -0.771 176.519 177.300 -0.017 0.000 1.200 393 P CA -0.409 62.679 63.100 -0.020 0.000 0.772 393 P CB 0.786 32.478 31.700 -0.014 0.000 0.855 394 V N -1.051 118.857 119.914 -0.011 0.000 2.960 394 V HA 0.586 4.706 4.120 -0.000 0.000 0.315 394 V C -0.334 175.760 176.094 0.000 0.000 1.087 394 V CA -0.889 61.408 62.300 -0.004 0.000 0.982 394 V CB 2.079 33.903 31.823 0.001 0.000 1.039 394 V HN 0.623 nan 8.190 nan 0.000 0.437 395 E N 2.396 122.597 120.200 0.002 0.000 2.346 395 E HA 0.501 4.850 4.350 -0.000 0.000 0.239 395 E C -1.332 175.271 176.600 0.004 0.000 0.943 395 E CA -0.533 55.868 56.400 0.002 0.000 0.751 395 E CB 1.123 30.824 29.700 0.001 0.000 1.241 395 E HN 0.793 nan 8.360 nan 0.000 0.423 396 I N 5.629 126.201 120.570 0.004 0.000 2.297 396 I HA 0.276 4.446 4.170 -0.000 0.000 0.291 396 I C -2.092 174.026 176.117 0.001 0.000 1.033 396 I CA -2.221 59.081 61.300 0.004 0.000 1.253 396 I CB 1.120 39.124 38.000 0.006 0.000 1.396 396 I HN 0.303 nan 8.210 nan 0.000 0.476 397 P HA -0.007 nan 4.420 nan 0.000 0.265 397 P C -0.288 177.009 177.300 -0.005 0.000 1.193 397 P CA -0.126 62.971 63.100 -0.005 0.000 0.765 397 P CB 0.407 32.103 31.700 -0.007 0.000 0.823 398 N N 3.054 121.751 118.700 -0.005 0.000 3.243 398 N HA 0.155 4.895 4.740 -0.000 0.000 0.310 398 N C -0.998 174.507 175.510 -0.008 0.000 1.313 398 N CA 0.131 53.178 53.050 -0.005 0.000 1.204 398 N CB -0.993 37.492 38.487 -0.003 0.000 1.483 398 N HN 0.294 nan 8.380 nan 0.000 0.553 399 I N 1.695 122.258 120.570 -0.011 0.000 2.497 399 I HA 0.285 4.455 4.170 -0.000 0.000 0.284 399 I C -0.690 175.416 176.117 -0.018 0.000 1.060 399 I CA -0.702 60.589 61.300 -0.016 0.000 1.071 399 I CB 1.285 39.273 38.000 -0.021 0.000 1.216 399 I HN 0.165 nan 8.210 nan 0.000 0.442 400 K N 3.184 123.575 120.400 -0.016 0.000 2.555 400 K HA 0.794 5.113 4.320 -0.000 0.000 0.279 400 K C -1.085 175.509 176.600 -0.010 0.000 0.986 400 K CA -0.797 55.483 56.287 -0.012 0.000 0.880 400 K CB 2.311 34.807 32.500 -0.006 0.000 1.474 400 K HN 0.401 nan 8.250 nan 0.000 0.433 401 T N -1.188 113.364 114.554 -0.002 0.000 2.932 401 T HA 0.440 4.789 4.350 -0.000 0.000 0.289 401 T C -0.542 174.169 174.700 0.019 0.000 1.039 401 T CA -1.100 61.003 62.100 0.006 0.000 1.024 401 T CB 1.445 70.319 68.868 0.010 0.000 1.090 401 T HN 0.521 nan 8.240 nan 0.000 0.496 402 K N 1.106 121.519 120.400 0.022 0.000 2.298 402 K HA 0.557 4.877 4.320 -0.000 0.000 0.280 402 K C -0.977 175.653 176.600 0.051 0.000 1.032 402 K CA -0.650 55.656 56.287 0.031 0.000 0.958 402 K CB 1.096 33.611 32.500 0.025 0.000 0.978 402 K HN 0.391 nan 8.250 nan 0.000 0.472 403 V N 3.614 123.564 119.914 0.061 0.000 2.483 403 V HA 0.201 4.321 4.120 -0.000 0.000 0.297 403 V C -0.554 175.595 176.094 0.092 0.000 1.027 403 V CA -1.004 61.351 62.300 0.092 0.000 0.855 403 V CB 1.791 33.678 31.823 0.106 0.000 0.995 403 V HN 0.442 nan 8.190 nan 0.000 0.424 404 V N 4.541 124.532 119.914 0.128 0.000 2.394 404 V HA 0.913 5.033 4.120 -0.000 0.000 0.282 404 V C 0.465 176.694 176.094 0.225 0.000 1.031 404 V CA 0.269 62.656 62.300 0.145 0.000 0.881 404 V CB 1.087 33.021 31.823 0.184 0.000 0.982 404 V HN 1.093 nan 8.190 nan 0.000 0.451 405 A N 3.255 126.119 122.820 0.075 0.000 2.733 405 A HA 0.906 5.226 4.320 -0.000 0.000 0.299 405 A C 0.765 178.140 177.584 -0.349 0.000 1.252 405 A CA -0.152 51.902 52.037 0.028 0.000 0.677 405 A CB 0.800 19.791 19.000 -0.015 0.000 1.361 405 A HN 1.971 nan 8.150 nan 0.000 0.528 406 G N -1.916 106.681 108.800 -0.339 0.000 2.132 406 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.228 406 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.228 406 G C -0.208 174.431 174.900 -0.435 0.000 1.000 406 G CA 0.311 45.184 45.100 -0.379 0.000 0.693 406 G HN 0.882 nan 8.290 nan 0.000 0.515 407 F N 3.128 123.064 119.950 -0.023 0.000 2.640 407 F HA 0.419 4.945 4.527 -0.000 0.000 0.354 407 F C 1.609 177.413 175.800 0.006 0.000 1.213 407 F CA -0.031 57.974 58.000 0.008 0.000 1.314 407 F CB 0.061 39.084 39.000 0.038 0.000 1.679 407 F HN 0.312 nan 8.300 nan 0.000 0.622 408 S N -0.896 114.842 115.700 0.063 0.000 2.572 408 S HA -0.027 4.443 4.470 -0.000 0.000 0.267 408 S C 1.442 176.093 174.600 0.085 0.000 1.361 408 S CA -0.297 57.935 58.200 0.052 0.000 1.009 408 S CB 0.878 64.081 63.200 0.006 0.000 0.888 408 S HN 0.458 nan 8.310 nan 0.000 0.553 409 T N 1.499 116.086 114.554 0.054 0.000 2.867 409 T HA -0.059 4.290 4.350 -0.000 0.000 0.268 409 T C 1.575 176.309 174.700 0.057 0.000 1.057 409 T CA 1.802 63.936 62.100 0.057 0.000 1.136 409 T CB -0.501 68.388 68.868 0.034 0.000 0.874 409 T HN 0.739 nan 8.240 nan 0.000 0.466 410 E N 1.497 121.723 120.200 0.044 0.000 2.077 410 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 410 E C 2.398 179.027 176.600 0.048 0.000 0.989 410 E CA 1.185 57.609 56.400 0.040 0.000 0.800 410 E CB -0.448 29.269 29.700 0.029 0.000 0.746 410 E HN 0.481 nan 8.360 nan 0.000 0.452 411 A N 0.537 123.388 122.820 0.052 0.000 1.902 411 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 411 A C 2.235 179.905 177.584 0.142 0.000 1.181 411 A CA 1.241 53.318 52.037 0.066 0.000 0.623 411 A CB -0.606 18.400 19.000 0.010 0.000 0.818 411 A HN 0.198 nan 8.150 nan 0.000 0.443 412 I N -0.537 120.135 120.570 0.170 0.000 2.252 412 I HA -0.215 3.954 4.170 -0.000 0.000 0.245 412 I C 2.266 178.440 176.117 0.095 0.000 1.102 412 I CA 1.116 62.513 61.300 0.163 0.000 1.385 412 I CB -0.291 37.783 38.000 0.124 0.000 1.064 412 I HN 0.289 nan 8.210 nan 0.000 0.414 413 I N 0.949 121.562 120.570 0.073 0.000 2.226 413 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 413 I C 2.349 178.495 176.117 0.050 0.000 1.100 413 I CA 1.629 62.960 61.300 0.052 0.000 1.374 413 I CB -0.507 37.519 38.000 0.043 0.000 1.057 413 I HN 0.327 nan 8.210 nan 0.000 0.413 414 N N 1.194 119.926 118.700 0.053 0.000 2.120 414 N HA -0.177 4.562 4.740 -0.000 0.000 0.188 414 N C 1.807 177.350 175.510 0.054 0.000 1.024 414 N CA 1.814 54.891 53.050 0.046 0.000 0.852 414 N CB -0.115 38.395 38.487 0.039 0.000 1.003 414 N HN 0.325 nan 8.380 nan 0.000 0.424 415 A N 0.465 123.332 122.820 0.079 0.000 1.902 415 A HA -0.049 4.270 4.320 -0.000 0.000 0.217 415 A C 2.337 179.957 177.584 0.059 0.000 1.181 415 A CA 1.131 53.220 52.037 0.086 0.000 0.623 415 A CB -0.871 18.215 19.000 0.143 0.000 0.818 415 A HN 0.376 nan 8.150 nan 0.000 0.443 416 L N 0.540 121.794 121.223 0.052 0.000 2.083 416 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 416 L C 2.971 179.859 176.870 0.030 0.000 1.083 416 L CA 1.493 56.354 54.840 0.036 0.000 0.752 416 L CB -0.494 41.583 42.059 0.031 0.000 0.899 416 L HN 0.625 nan 8.230 nan 0.000 0.433 417 S N -0.551 115.168 115.700 0.032 0.000 2.440 417 S HA -0.174 4.295 4.470 -0.000 0.000 0.238 417 S C 1.891 176.505 174.600 0.023 0.000 1.010 417 S CA 0.786 59.001 58.200 0.025 0.000 0.972 417 S CB -0.260 62.955 63.200 0.024 0.000 0.774 417 S HN 0.278 nan 8.310 nan 0.000 0.501 418 K N 1.286 121.702 120.400 0.027 0.000 2.362 418 K HA 0.196 4.516 4.320 -0.000 0.000 0.200 418 K C 1.764 178.376 176.600 0.020 0.000 1.046 418 K CA 0.647 56.948 56.287 0.024 0.000 0.952 418 K CB -0.602 31.915 32.500 0.028 0.000 0.753 418 K HN 0.505 nan 8.250 nan 0.000 0.466 419 L N -0.266 120.969 121.223 0.021 0.000 2.463 419 L HA 0.103 4.443 4.340 -0.000 0.000 0.219 419 L C 0.558 177.437 176.870 0.015 0.000 1.088 419 L CA 0.061 54.912 54.840 0.017 0.000 0.849 419 L CB 0.136 42.205 42.059 0.017 0.000 1.012 419 L HN 0.055 nan 8.230 nan 0.000 0.468 420 N N -0.299 118.410 118.700 0.016 0.000 2.747 420 N HA 0.219 4.959 4.740 -0.000 0.000 0.262 420 N C 0.232 175.751 175.510 0.014 0.000 1.261 420 N CA 0.317 53.375 53.050 0.014 0.000 0.809 420 N CB 1.532 40.027 38.487 0.013 0.000 1.450 420 N HN -0.009 nan 8.380 nan 0.000 0.560 421 A N 2.826 125.653 122.820 0.013 0.000 1.902 421 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 421 A C 1.360 178.951 177.584 0.012 0.000 1.181 421 A CA 1.365 53.410 52.037 0.013 0.000 0.623 421 A CB -0.064 18.943 19.000 0.011 0.000 0.818 421 A HN 0.627 nan 8.150 nan 0.000 0.443 422 N N -0.647 118.060 118.700 0.011 0.000 2.236 422 N HA 0.082 4.822 4.740 -0.000 0.000 0.196 422 N C -0.664 174.852 175.510 0.010 0.000 1.114 422 N CA 0.360 53.416 53.050 0.009 0.000 0.859 422 N CB 0.619 39.111 38.487 0.008 0.000 0.982 422 N HN 0.370 nan 8.380 nan 0.000 0.493 423 D N -0.337 120.070 120.400 0.011 0.000 2.846 423 D HA 0.204 4.843 4.640 -0.000 0.000 0.279 423 D C -2.043 174.266 176.300 0.014 0.000 1.222 423 D CA -1.571 52.436 54.000 0.011 0.000 0.769 423 D CB 1.187 41.993 40.800 0.010 0.000 1.299 423 D HN -0.064 nan 8.370 nan 0.000 0.537 424 P HA -0.037 nan 4.420 nan 0.000 0.221 424 P C 1.772 179.084 177.300 0.019 0.000 1.150 424 P CA 0.493 63.605 63.100 0.019 0.000 0.800 424 P CB 0.540 32.254 31.700 0.023 0.000 0.787 425 L N -0.312 120.922 121.223 0.018 0.000 2.217 425 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 425 L C 2.706 179.585 176.870 0.015 0.000 1.107 425 L CA 1.157 56.007 54.840 0.017 0.000 0.783 425 L CB -0.835 41.234 42.059 0.017 0.000 0.919 425 L HN -0.031 nan 8.230 nan 0.000 0.442 426 K N 0.772 121.180 120.400 0.014 0.000 2.074 426 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 426 K C -0.602 176.006 176.600 0.012 0.000 1.048 426 K CA 1.541 57.836 56.287 0.012 0.000 0.926 426 K CB -0.692 31.815 32.500 0.011 0.000 0.713 426 K HN 0.190 nan 8.250 nan 0.000 0.444 427 P HA -0.144 nan 4.420 nan 0.000 0.220 427 P C 1.300 178.607 177.300 0.012 0.000 1.148 427 P CA 0.780 63.888 63.100 0.012 0.000 0.803 427 P CB -0.006 31.702 31.700 0.013 0.000 0.782 428 L N -0.451 120.779 121.223 0.012 0.000 2.027 428 L HA -0.058 4.282 4.340 -0.000 0.000 0.206 428 L C 2.284 179.161 176.870 0.011 0.000 1.074 428 L CA 1.635 56.480 54.840 0.010 0.000 0.745 428 L CB -1.312 40.752 42.059 0.009 0.000 0.898 428 L HN -0.181 nan 8.230 nan 0.000 0.433 429 I N -0.246 120.331 120.570 0.012 0.000 2.226 429 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 429 I C 2.042 178.167 176.117 0.014 0.000 1.100 429 I CA 1.299 62.607 61.300 0.013 0.000 1.374 429 I CB -0.607 37.401 38.000 0.013 0.000 1.057 429 I HN 0.263 nan 8.210 nan 0.000 0.413 430 D N 0.964 121.372 120.400 0.013 0.000 2.133 430 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 430 D C 1.801 178.110 176.300 0.015 0.000 0.997 430 D CA 1.528 55.536 54.000 0.014 0.000 0.840 430 D CB -0.481 40.327 40.800 0.012 0.000 0.947 430 D HN 0.425 nan 8.370 nan 0.000 0.452 431 N N -0.737 117.972 118.700 0.014 0.000 2.446 431 N HA -0.029 4.711 4.740 -0.000 0.000 0.179 431 N C 1.751 177.272 175.510 0.019 0.000 1.054 431 N CA 0.001 53.060 53.050 0.015 0.000 0.905 431 N CB 0.493 38.987 38.487 0.012 0.000 0.973 431 N HN -0.049 nan 8.380 nan 0.000 0.448 432 V N 0.016 119.941 119.914 0.019 0.000 2.307 432 V HA -0.161 3.958 4.120 -0.000 0.000 0.245 432 V C 2.103 178.215 176.094 0.030 0.000 1.045 432 V CA 1.265 63.579 62.300 0.023 0.000 1.024 432 V CB -0.418 31.416 31.823 0.019 0.000 0.651 432 V HN 0.127 nan 8.190 nan 0.000 0.449 433 V N 2.201 122.131 119.914 0.027 0.000 2.343 433 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 433 V C 2.149 178.261 176.094 0.030 0.000 1.051 433 V CA 2.211 64.529 62.300 0.030 0.000 1.036 433 V CB -0.958 30.879 31.823 0.024 0.000 0.654 433 V HN 0.913 nan 8.190 nan 0.000 0.451 434 N N 0.386 119.101 118.700 0.025 0.000 2.461 434 N HA 0.156 4.896 4.740 -0.000 0.000 0.188 434 N C 1.294 176.818 175.510 0.025 0.000 1.134 434 N CA 1.027 54.090 53.050 0.022 0.000 0.878 434 N CB 0.354 38.850 38.487 0.016 0.000 0.972 434 N HN 0.440 nan 8.380 nan 0.000 0.456 435 G N -0.089 108.731 108.800 0.032 0.000 2.176 435 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.253 435 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.253 435 G C 0.919 175.838 174.900 0.031 0.000 0.979 435 G CA 0.313 45.436 45.100 0.038 0.000 0.641 435 G HN 0.388 nan 8.290 nan 0.000 0.530 436 N N 0.030 118.744 118.700 0.024 0.000 2.120 436 N HA -0.001 4.739 4.740 -0.000 0.000 0.188 436 N C 0.940 176.463 175.510 0.023 0.000 1.024 436 N CA 1.150 54.212 53.050 0.021 0.000 0.852 436 N CB 0.018 38.514 38.487 0.016 0.000 1.003 436 N HN 0.446 nan 8.380 nan 0.000 0.424 437 I N 1.112 121.695 120.570 0.023 0.000 2.330 437 I HA 0.190 4.360 4.170 -0.000 0.000 0.289 437 I C 1.509 177.644 176.117 0.029 0.000 1.001 437 I CA -0.221 61.092 61.300 0.022 0.000 1.193 437 I CB 1.769 39.777 38.000 0.014 0.000 1.345 437 I HN 0.033 nan 8.210 nan 0.000 0.461 438 R N 4.392 124.912 120.500 0.034 0.000 2.075 438 R HA 0.153 4.493 4.340 -0.000 0.000 0.226 438 R C 0.803 177.120 176.300 0.029 0.000 1.114 438 R CA 1.187 57.314 56.100 0.045 0.000 0.972 438 R CB 0.424 30.756 30.300 0.053 0.000 0.869 438 R HN 0.875 nan 8.270 nan 0.000 0.437 439 G N -1.332 107.476 108.800 0.012 0.000 2.428 439 G HA2 0.365 4.324 3.960 -0.000 0.000 0.305 439 G HA3 0.365 4.324 3.960 -0.000 0.000 0.305 439 G C -1.877 173.014 174.900 -0.016 0.000 1.260 439 G CA -0.604 44.492 45.100 -0.006 0.000 0.853 439 G HN -0.002 nan 8.290 nan 0.000 0.480 440 V N -0.475 119.420 119.914 -0.033 0.000 2.656 440 V HA 0.621 4.740 4.120 -0.000 0.000 0.307 440 V C -0.595 175.448 176.094 -0.085 0.000 1.051 440 V CA -0.725 61.549 62.300 -0.043 0.000 0.893 440 V CB 1.352 33.156 31.823 -0.032 0.000 0.999 440 V HN 1.013 nan 8.190 nan 0.000 0.426 441 C N 6.456 125.684 119.300 -0.119 0.000 2.408 441 C HA 0.769 5.229 4.460 -0.000 0.000 0.321 441 C C -0.569 174.265 174.990 -0.261 0.000 1.245 441 C CA -0.646 58.227 59.018 -0.242 0.000 1.523 441 C CB 0.656 28.183 27.740 -0.355 0.000 2.178 441 C HN 0.875 nan 8.230 nan 0.000 0.488 442 L N 6.719 127.790 121.223 -0.253 0.000 2.255 442 L HA 0.623 4.963 4.340 -0.000 0.000 0.289 442 L C -0.942 175.777 176.870 -0.251 0.000 1.046 442 L CA 0.192 54.929 54.840 -0.171 0.000 0.816 442 L CB 0.092 42.105 42.059 -0.077 0.000 1.197 442 L HN 0.599 nan 8.230 nan 0.000 0.427 443 F N 4.671 124.638 119.950 0.029 0.000 2.427 443 F HA 0.689 5.216 4.527 -0.000 0.000 0.352 443 F C 0.774 176.604 175.800 0.050 0.000 1.100 443 F CA 0.375 58.431 58.000 0.092 0.000 1.191 443 F CB 1.130 40.183 39.000 0.089 0.000 1.128 443 F HN 0.712 nan 8.300 nan 0.000 0.533 444 A N 1.740 124.755 122.820 0.325 0.000 2.593 444 A HA 0.875 5.195 4.320 -0.000 0.000 0.290 444 A C -0.050 177.693 177.584 0.264 0.000 1.126 444 A CA -0.223 51.920 52.037 0.177 0.000 0.695 444 A CB 1.061 20.097 19.000 0.060 0.000 1.290 444 A HN 1.604 nan 8.150 nan 0.000 0.414 445 G N -1.416 107.492 108.800 0.180 0.000 2.681 445 G HA2 0.088 4.048 3.960 -0.000 0.000 0.220 445 G HA3 0.088 4.048 3.960 -0.000 0.000 0.220 445 G C 0.286 175.351 174.900 0.274 0.000 1.353 445 G CA -0.381 44.843 45.100 0.205 0.000 0.872 445 G HN 1.857 nan 8.290 nan 0.000 0.557 446 C N 0.307 119.756 119.300 0.249 0.000 2.574 446 C HA 0.666 5.126 4.460 -0.000 0.000 0.335 446 C C 0.893 176.066 174.990 0.304 0.000 1.493 446 C CA -0.829 58.321 59.018 0.221 0.000 2.217 446 C CB 0.435 28.267 27.740 0.154 0.000 2.056 446 C HN 0.804 nan 8.230 nan 0.000 0.607 447 N N 1.958 120.790 118.700 0.219 0.000 2.482 447 N HA 0.341 5.081 4.740 -0.000 0.000 0.279 447 N C -0.937 174.603 175.510 0.050 0.000 1.182 447 N CA -0.142 53.010 53.050 0.169 0.000 0.969 447 N CB 0.844 39.432 38.487 0.168 0.000 1.201 447 N HN 0.676 nan 8.380 nan 0.000 0.523 448 N N 0.379 119.073 118.700 -0.009 0.000 2.397 448 N HA 0.060 4.799 4.740 -0.000 0.000 0.291 448 N C 0.335 175.749 175.510 -0.160 0.000 1.065 448 N CA -0.363 52.628 53.050 -0.097 0.000 0.884 448 N CB 1.922 40.349 38.487 -0.100 0.000 1.551 448 N HN 0.190 nan 8.380 nan 0.000 0.487 449 V N 4.589 124.317 119.914 -0.310 0.000 2.660 449 V HA -0.191 3.929 4.120 -0.000 0.000 0.257 449 V C 1.941 177.760 176.094 -0.459 0.000 1.088 449 V CA 1.920 63.943 62.300 -0.461 0.000 1.106 449 V CB -0.258 31.151 31.823 -0.692 0.000 0.686 449 V HN 0.631 nan 8.190 nan 0.000 0.481 450 K N -0.665 119.459 120.400 -0.460 0.000 2.211 450 K HA -0.002 4.318 4.320 -0.000 0.000 0.203 450 K C 0.534 177.116 176.600 -0.030 0.000 1.050 450 K CA 0.659 56.772 56.287 -0.291 0.000 0.945 450 K CB 0.048 32.441 32.500 -0.178 0.000 0.732 450 K HN 0.400 nan 8.250 nan 0.000 0.451 451 V N 2.822 122.723 119.914 -0.022 0.000 2.417 451 V HA 0.185 4.304 4.120 -0.000 0.000 0.291 451 V C -2.470 173.686 176.094 0.104 0.000 1.024 451 V CA -2.477 59.841 62.300 0.030 0.000 0.861 451 V CB 1.376 33.185 31.823 -0.023 0.000 0.985 451 V HN -0.023 nan 8.190 nan 0.000 0.436 452 P HA -0.015 nan 4.420 nan 0.000 0.260 452 P C -0.221 177.165 177.300 0.144 0.000 1.185 452 P CA 0.222 63.409 63.100 0.145 0.000 0.763 452 P CB 0.230 31.977 31.700 0.079 0.000 0.776 453 Q N 3.699 123.637 119.800 0.229 0.000 2.247 453 Q HA -0.109 4.230 4.340 -0.000 0.000 0.288 453 Q C -0.006 176.101 176.000 0.178 0.000 1.079 453 Q CA 0.685 56.637 55.803 0.248 0.000 0.932 453 Q CB -0.127 28.828 28.738 0.362 0.000 1.133 453 Q HN 0.474 nan 8.270 nan 0.000 0.377 454 D N 1.712 122.214 120.400 0.169 0.000 2.748 454 D HA -0.266 4.374 4.640 -0.000 0.000 0.189 454 D C 0.863 177.152 176.300 -0.018 0.000 0.982 454 D CA 1.450 55.529 54.000 0.131 0.000 1.017 454 D CB -0.806 40.039 40.800 0.075 0.000 1.076 454 D HN 0.820 nan 8.370 nan 0.000 0.446 455 Q N 0.432 120.219 119.800 -0.023 0.000 2.084 455 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 455 Q C 1.685 177.634 176.000 -0.086 0.000 0.978 455 Q CA 1.888 57.656 55.803 -0.059 0.000 0.844 455 Q CB 0.088 28.814 28.738 -0.020 0.000 0.898 455 Q HN 0.314 nan 8.270 nan 0.000 0.426 456 N N -0.223 118.405 118.700 -0.119 0.000 2.135 456 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 456 N C 1.532 176.907 175.510 -0.224 0.000 1.027 456 N CA 1.198 54.147 53.050 -0.168 0.000 0.849 456 N CB -0.556 37.799 38.487 -0.220 0.000 1.002 456 N HN 0.246 nan 8.380 nan 0.000 0.425 457 F N 1.344 121.150 119.950 -0.240 0.000 2.065 457 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 457 F C 2.752 178.176 175.800 -0.626 0.000 1.112 457 F CA 1.691 59.369 58.000 -0.537 0.000 1.212 457 F CB -0.824 37.861 39.000 -0.525 0.000 0.975 457 F HN 0.165 nan 8.300 nan 0.000 0.476 458 T N -3.858 110.530 114.554 -0.276 0.000 2.857 458 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 458 T C 1.808 176.433 174.700 -0.125 0.000 1.048 458 T CA 1.621 63.526 62.100 -0.325 0.000 1.139 458 T CB -0.890 67.843 68.868 -0.224 0.000 0.874 458 T HN 0.154 nan 8.240 nan 0.000 0.455 459 T N 2.238 116.737 114.554 -0.093 0.000 2.737 459 T HA 0.123 4.473 4.350 -0.000 0.000 0.265 459 T C 1.923 176.617 174.700 -0.009 0.000 1.038 459 T CA 1.376 63.459 62.100 -0.029 0.000 1.144 459 T CB -0.417 68.433 68.868 -0.030 0.000 0.866 459 T HN 0.394 nan 8.240 nan 0.000 0.434 460 I N 1.334 121.889 120.570 -0.025 0.000 2.202 460 I HA -0.140 4.029 4.170 -0.000 0.000 0.242 460 I C 2.972 179.172 176.117 0.140 0.000 1.091 460 I CA 1.096 62.439 61.300 0.072 0.000 1.368 460 I CB -0.553 37.553 38.000 0.176 0.000 1.058 460 I HN 0.176 nan 8.210 nan 0.000 0.410 461 A N 0.951 123.767 122.820 -0.007 0.000 1.908 461 A HA -0.222 4.097 4.320 -0.000 0.000 0.218 461 A C 2.405 180.089 177.584 0.166 0.000 1.181 461 A CA 1.614 53.682 52.037 0.052 0.000 0.627 461 A CB -0.622 18.131 19.000 -0.412 0.000 0.818 461 A HN 0.325 nan 8.150 nan 0.000 0.445 462 R N -0.806 119.793 120.500 0.165 0.000 2.096 462 R HA -0.132 4.207 4.340 -0.000 0.000 0.235 462 R C 2.332 178.710 176.300 0.131 0.000 1.127 462 R CA 1.710 57.935 56.100 0.207 0.000 0.968 462 R CB -0.216 30.190 30.300 0.177 0.000 0.861 462 R HN 0.575 nan 8.270 nan 0.000 0.440 463 K N 0.912 121.373 120.400 0.102 0.000 2.062 463 K HA -0.050 4.269 4.320 -0.000 0.000 0.205 463 K C 1.948 178.599 176.600 0.086 0.000 1.051 463 K CA 0.933 57.267 56.287 0.078 0.000 0.941 463 K CB 0.024 32.558 32.500 0.056 0.000 0.719 463 K HN 0.064 nan 8.250 nan 0.000 0.440 464 L N 0.537 121.827 121.223 0.113 0.000 2.056 464 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 464 L C 2.300 179.231 176.870 0.102 0.000 1.078 464 L CA 0.978 55.880 54.840 0.104 0.000 0.749 464 L CB -0.432 41.705 42.059 0.131 0.000 0.901 464 L HN 0.210 nan 8.230 nan 0.000 0.433 465 L N -0.391 120.910 121.223 0.131 0.000 2.046 465 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 465 L C 2.699 179.617 176.870 0.081 0.000 1.077 465 L CA 1.039 55.948 54.840 0.116 0.000 0.747 465 L CB -0.469 41.682 42.059 0.155 0.000 0.896 465 L HN 0.185 nan 8.230 nan 0.000 0.432 466 K N -0.156 120.290 120.400 0.077 0.000 2.209 466 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 466 K C 1.677 178.307 176.600 0.050 0.000 1.048 466 K CA 0.949 57.269 56.287 0.055 0.000 0.940 466 K CB -0.102 32.428 32.500 0.050 0.000 0.729 466 K HN 0.344 nan 8.250 nan 0.000 0.451 467 Q N 0.767 120.600 119.800 0.056 0.000 2.247 467 Q HA 0.068 4.408 4.340 -0.000 0.000 0.205 467 Q C -0.436 175.595 176.000 0.051 0.000 0.896 467 Q CA -0.096 55.739 55.803 0.053 0.000 0.950 467 Q CB 0.130 28.902 28.738 0.057 0.000 1.054 467 Q HN 0.229 nan 8.270 nan 0.000 0.482 468 N N -0.578 118.151 118.700 0.048 0.000 2.776 468 N HA -0.140 4.600 4.740 -0.000 0.000 0.250 468 N C -0.615 174.917 175.510 0.038 0.000 1.112 468 N CA 0.406 53.481 53.050 0.041 0.000 0.733 468 N CB -1.763 36.746 38.487 0.036 0.000 1.097 468 N HN 0.043 nan 8.380 nan 0.000 0.558 469 V N 1.324 121.263 119.914 0.043 0.000 2.530 469 V HA 0.160 4.279 4.120 -0.000 0.000 0.282 469 V C 0.948 177.061 176.094 0.032 0.000 1.048 469 V CA -0.654 61.664 62.300 0.031 0.000 0.997 469 V CB 1.440 33.279 31.823 0.026 0.000 0.987 469 V HN 0.223 nan 8.190 nan 0.000 0.477 470 L N 7.445 128.676 121.223 0.014 0.000 2.385 470 L HA 0.326 4.666 4.340 -0.000 0.000 0.281 470 L C -0.164 176.711 176.870 0.007 0.000 1.106 470 L CA 0.726 55.570 54.840 0.006 0.000 0.856 470 L CB 0.712 42.766 42.059 -0.009 0.000 1.186 470 L HN 0.445 nan 8.230 nan 0.000 0.453 471 V N 6.479 126.415 119.914 0.037 0.000 2.398 471 V HA 0.538 4.658 4.120 -0.000 0.000 0.286 471 V C -0.031 176.098 176.094 0.059 0.000 1.026 471 V CA -0.442 61.900 62.300 0.071 0.000 0.868 471 V CB 1.537 33.473 31.823 0.189 0.000 0.982 471 V HN 0.652 nan 8.190 nan 0.000 0.443 472 V N 2.262 122.203 119.914 0.044 0.000 2.919 472 V HA 1.091 5.211 4.120 -0.000 0.000 0.316 472 V C -0.175 175.966 176.094 0.080 0.000 1.077 472 V CA -0.652 61.678 62.300 0.049 0.000 0.977 472 V CB 1.766 33.608 31.823 0.031 0.000 1.039 472 V HN 1.188 nan 8.190 nan 0.000 0.441 473 A N 2.235 125.096 122.820 0.068 0.000 2.594 473 A HA 1.002 5.321 4.320 -0.000 0.000 0.295 473 A C -0.295 177.287 177.584 -0.004 0.000 1.071 473 A CA -0.028 52.023 52.037 0.024 0.000 0.685 473 A CB 1.900 20.856 19.000 -0.074 0.000 1.285 473 A HN 2.023 nan 8.150 nan 0.000 0.405 474 T N -1.833 112.705 114.554 -0.027 0.000 2.812 474 T HA 0.833 5.183 4.350 -0.000 0.000 0.294 474 T C 0.852 175.523 174.700 -0.048 0.000 1.159 474 T CA 0.440 62.553 62.100 0.022 0.000 1.008 474 T CB 0.903 69.826 68.868 0.093 0.000 1.289 474 T HN 2.675 nan 8.240 nan 0.000 0.514 475 G N -0.121 108.701 108.800 0.036 0.000 2.614 475 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.303 475 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.303 475 G C 1.178 176.018 174.900 -0.099 0.000 1.270 475 G CA 0.355 45.479 45.100 0.039 0.000 0.988 475 G HN 1.359 nan 8.290 nan 0.000 0.551 476 C N 1.535 120.787 119.300 -0.081 0.000 2.500 476 C HA 0.341 4.801 4.460 -0.000 0.000 0.273 476 C C 2.937 177.618 174.990 -0.514 0.000 1.428 476 C CA 1.188 60.085 59.018 -0.203 0.000 1.766 476 C CB -1.378 26.370 27.740 0.014 0.000 1.817 476 C HN 1.035 nan 8.230 nan 0.000 0.543 477 G N 0.502 108.935 108.800 -0.611 0.000 2.396 477 G HA2 0.055 4.015 3.960 -0.000 0.000 0.214 477 G HA3 0.055 4.015 3.960 -0.000 0.000 0.214 477 G C 1.859 176.236 174.900 -0.871 0.000 1.166 477 G CA 0.857 45.168 45.100 -1.314 0.000 0.793 477 G HN 0.542 nan 8.290 nan 0.000 0.533 478 A N 0.985 123.458 122.820 -0.578 0.000 1.933 478 A HA 0.160 4.479 4.320 -0.000 0.000 0.218 478 A C 2.658 179.874 177.584 -0.613 0.000 1.175 478 A CA 2.051 53.712 52.037 -0.627 0.000 0.628 478 A CB -1.001 17.402 19.000 -0.994 0.000 0.814 478 A HN 0.481 nan 8.150 nan 0.000 0.444 479 G N -0.354 108.002 108.800 -0.740 0.000 2.421 479 G HA2 -0.027 3.932 3.960 -0.000 0.000 0.216 479 G HA3 -0.027 3.932 3.960 -0.000 0.000 0.216 479 G C 1.790 176.324 174.900 -0.610 0.000 1.171 479 G CA 1.602 46.012 45.100 -1.151 0.000 0.775 479 G HN 0.795 nan 8.290 nan 0.000 0.543 480 A N 0.764 123.270 122.820 -0.524 0.000 1.873 480 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 480 A C 2.483 179.993 177.584 -0.123 0.000 1.193 480 A CA 1.627 53.517 52.037 -0.245 0.000 0.629 480 A CB -0.603 18.178 19.000 -0.365 0.000 0.826 480 A HN 0.359 nan 8.150 nan 0.000 0.447 481 L N -1.352 119.664 121.223 -0.344 0.000 2.046 481 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 481 L C 2.941 179.849 176.870 0.064 0.000 1.077 481 L CA 1.587 56.276 54.840 -0.250 0.000 0.747 481 L CB -0.508 41.289 42.059 -0.435 0.000 0.896 481 L HN 0.438 nan 8.230 nan 0.000 0.432 482 M N -0.733 118.844 119.600 -0.037 0.000 2.080 482 M HA -0.221 4.259 4.480 -0.000 0.000 0.260 482 M C 2.399 178.743 176.300 0.072 0.000 1.068 482 M CA 1.799 57.126 55.300 0.046 0.000 1.109 482 M CB -0.356 32.261 32.600 0.030 0.000 1.342 482 M HN 0.146 nan 8.290 nan 0.000 0.405 483 R N -1.035 119.484 120.500 0.031 0.000 2.280 483 R HA -0.072 4.268 4.340 -0.000 0.000 0.207 483 R C 1.047 177.240 176.300 -0.178 0.000 1.043 483 R CA 0.637 56.706 56.100 -0.052 0.000 1.006 483 R CB -0.146 30.115 30.300 -0.066 0.000 0.885 483 R HN 0.525 nan 8.270 nan 0.000 0.467 484 H N -1.275 117.881 119.070 0.143 0.000 2.542 484 H HA 0.182 4.738 4.556 -0.000 0.000 0.283 484 H C 1.013 176.434 175.328 0.156 0.000 1.059 484 H CA 0.692 56.858 56.048 0.196 0.000 1.162 484 H CB 1.325 31.272 29.762 0.309 0.000 1.539 484 H HN 0.437 nan 8.280 nan 0.000 0.543 485 G N 0.828 109.730 108.800 0.171 0.000 2.176 485 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.232 485 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.232 485 G C 0.590 175.486 174.900 -0.006 0.000 0.986 485 G CA -0.018 45.099 45.100 0.028 0.000 0.643 485 G HN 0.323 nan 8.290 nan 0.000 0.522 486 F N 0.314 120.280 119.950 0.027 0.000 2.748 486 F HA 0.436 4.963 4.527 -0.000 0.000 0.299 486 F C 2.436 178.249 175.800 0.021 0.000 1.154 486 F CA 1.051 59.060 58.000 0.015 0.000 1.446 486 F CB 0.097 39.091 39.000 -0.010 0.000 1.112 486 F HN 0.233 nan 8.300 nan 0.000 0.584 487 M N -0.908 118.798 119.600 0.176 0.000 2.484 487 M HA 0.117 4.597 4.480 -0.000 0.000 0.307 487 M C -0.446 175.921 176.300 0.110 0.000 1.149 487 M CA -0.018 55.370 55.300 0.147 0.000 0.972 487 M CB 0.298 32.999 32.600 0.169 0.000 1.400 487 M HN -0.230 nan 8.290 nan 0.000 0.508 488 D N 1.263 121.703 120.400 0.068 0.000 2.329 488 D HA 0.224 4.864 4.640 -0.000 0.000 0.232 488 D C -1.931 174.385 176.300 0.027 0.000 1.088 488 D CA -2.082 51.943 54.000 0.042 0.000 0.835 488 D CB 1.828 42.638 40.800 0.017 0.000 1.078 488 D HN -0.063 nan 8.370 nan 0.000 0.495 489 P HA -0.075 nan 4.420 nan 0.000 0.223 489 P C 0.958 178.264 177.300 0.009 0.000 1.144 489 P CA 0.680 63.798 63.100 0.029 0.000 0.783 489 P CB 0.144 31.870 31.700 0.043 0.000 0.771 490 A N -0.174 122.649 122.820 0.005 0.000 2.070 490 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 490 A C 1.772 179.342 177.584 -0.023 0.000 1.159 490 A CA 1.534 53.567 52.037 -0.007 0.000 0.656 490 A CB -1.524 17.472 19.000 -0.006 0.000 0.800 490 A HN 0.300 nan 8.150 nan 0.000 0.453 491 N N -0.861 117.816 118.700 -0.038 0.000 2.270 491 N HA 0.145 4.885 4.740 -0.000 0.000 0.198 491 N C 1.025 176.495 175.510 -0.067 0.000 1.117 491 N CA 0.138 53.144 53.050 -0.073 0.000 0.845 491 N CB 0.448 38.856 38.487 -0.131 0.000 0.980 491 N HN 0.205 nan 8.380 nan 0.000 0.486 492 V N 1.208 121.102 119.914 -0.034 0.000 2.332 492 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 492 V C 1.633 177.716 176.094 -0.019 0.000 1.055 492 V CA 1.758 64.046 62.300 -0.020 0.000 1.038 492 V CB -0.300 31.520 31.823 -0.004 0.000 0.651 492 V HN 0.317 nan 8.190 nan 0.000 0.450 493 D N -0.366 120.023 120.400 -0.019 0.000 2.104 493 D HA -0.209 4.430 4.640 -0.000 0.000 0.194 493 D C 2.205 178.493 176.300 -0.020 0.000 0.994 493 D CA 1.729 55.720 54.000 -0.015 0.000 0.830 493 D CB -0.200 40.592 40.800 -0.013 0.000 0.959 493 D HN 0.617 nan 8.370 nan 0.000 0.452 494 E N -0.010 120.169 120.200 -0.035 0.000 2.072 494 E HA -0.107 4.242 4.350 -0.000 0.000 0.191 494 E C 2.118 178.691 176.600 -0.045 0.000 0.985 494 E CA 0.589 56.964 56.400 -0.043 0.000 0.801 494 E CB 0.022 29.683 29.700 -0.064 0.000 0.750 494 E HN 0.235 nan 8.360 nan 0.000 0.452 495 L N 0.155 121.342 121.223 -0.059 0.000 2.354 495 L HA 0.129 4.468 4.340 -0.000 0.000 0.212 495 L C 0.738 177.615 176.870 0.012 0.000 1.091 495 L CA -0.234 54.578 54.840 -0.047 0.000 0.828 495 L CB 0.581 42.572 42.059 -0.112 0.000 0.973 495 L HN 0.158 nan 8.230 nan 0.000 0.461 496 C N 0.611 119.916 119.300 0.010 0.000 2.358 496 C HA 0.610 5.069 4.460 -0.000 0.000 0.342 496 C C 1.203 176.206 174.990 0.023 0.000 1.234 496 C CA -1.424 57.610 59.018 0.027 0.000 1.969 496 C CB 0.590 28.342 27.740 0.021 0.000 2.346 496 C HN 0.441 nan 8.230 nan 0.000 0.525 497 G N 1.806 110.624 108.800 0.031 0.000 2.690 497 G HA2 0.107 4.066 3.960 -0.000 0.000 0.239 497 G HA3 0.107 4.066 3.960 -0.000 0.000 0.239 497 G C 0.500 175.412 174.900 0.019 0.000 1.233 497 G CA 0.014 45.130 45.100 0.026 0.000 0.847 497 G HN 0.817 nan 8.290 nan 0.000 0.588 498 D N 0.729 121.138 120.400 0.016 0.000 2.144 498 D HA -0.092 4.547 4.640 -0.000 0.000 0.199 498 D C 2.575 178.882 176.300 0.013 0.000 0.984 498 D CA 1.534 55.542 54.000 0.012 0.000 0.834 498 D CB -0.468 40.337 40.800 0.010 0.000 0.955 498 D HN 0.460 nan 8.370 nan 0.000 0.465 499 G N 0.778 109.587 108.800 0.015 0.000 2.408 499 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 499 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 499 G C 1.599 176.508 174.900 0.015 0.000 1.150 499 G CA 0.506 45.616 45.100 0.015 0.000 0.776 499 G HN 0.255 nan 8.290 nan 0.000 0.542 500 L N 0.752 121.986 121.223 0.018 0.000 2.072 500 L HA 0.174 4.513 4.340 -0.000 0.000 0.205 500 L C 2.611 179.488 176.870 0.010 0.000 1.079 500 L CA 2.370 57.219 54.840 0.016 0.000 0.752 500 L CB -0.526 41.547 42.059 0.023 0.000 0.906 500 L HN 0.250 nan 8.230 nan 0.000 0.436 501 K N -0.387 120.020 120.400 0.011 0.000 2.063 501 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 501 K C 1.987 178.591 176.600 0.006 0.000 1.048 501 K CA 1.430 57.722 56.287 0.008 0.000 0.928 501 K CB -0.283 32.221 32.500 0.007 0.000 0.713 501 K HN 0.447 nan 8.250 nan 0.000 0.442 502 A N 0.567 123.391 122.820 0.008 0.000 1.902 502 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 502 A C 2.226 179.814 177.584 0.007 0.000 1.181 502 A CA 1.714 53.755 52.037 0.007 0.000 0.623 502 A CB -0.579 18.425 19.000 0.008 0.000 0.818 502 A HN 0.187 nan 8.150 nan 0.000 0.443 503 V N 0.040 119.958 119.914 0.006 0.000 2.323 503 V HA -0.218 3.902 4.120 -0.000 0.000 0.244 503 V C 2.554 178.648 176.094 -0.001 0.000 1.041 503 V CA 1.821 64.123 62.300 0.003 0.000 1.025 503 V CB -0.769 31.055 31.823 0.002 0.000 0.656 503 V HN 0.568 nan 8.190 nan 0.000 0.451 504 L N -0.169 121.051 121.223 -0.005 0.000 2.079 504 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 504 L C 2.596 179.466 176.870 0.001 0.000 1.081 504 L CA 1.985 56.818 54.840 -0.012 0.000 0.752 504 L CB -1.031 41.019 42.059 -0.015 0.000 0.896 504 L HN 0.378 nan 8.230 nan 0.000 0.433 505 T N -0.256 114.301 114.554 0.005 0.000 2.777 505 T HA -0.104 4.245 4.350 -0.000 0.000 0.266 505 T C 2.051 176.759 174.700 0.013 0.000 1.040 505 T CA 1.184 63.291 62.100 0.010 0.000 1.141 505 T CB -0.204 68.669 68.868 0.009 0.000 0.868 505 T HN 0.436 nan 8.240 nan 0.000 0.444 506 A N 1.305 124.132 122.820 0.011 0.000 1.877 506 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 506 A C 2.272 179.866 177.584 0.016 0.000 1.186 506 A CA 1.299 53.343 52.037 0.012 0.000 0.620 506 A CB -0.806 18.201 19.000 0.011 0.000 0.822 506 A HN 0.525 nan 8.150 nan 0.000 0.443 507 I N -0.346 120.233 120.570 0.015 0.000 2.179 507 I HA -0.179 3.990 4.170 -0.000 0.000 0.242 507 I C 2.725 178.862 176.117 0.034 0.000 1.088 507 I CA 1.176 62.489 61.300 0.023 0.000 1.357 507 I CB -0.740 37.270 38.000 0.016 0.000 1.051 507 I HN 0.376 nan 8.210 nan 0.000 0.409 508 G N 0.280 109.099 108.800 0.033 0.000 2.422 508 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 508 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 508 G C 1.542 176.465 174.900 0.037 0.000 1.146 508 G CA 0.576 45.703 45.100 0.044 0.000 0.769 508 G HN 0.421 nan 8.290 nan 0.000 0.547 509 E N 0.307 120.523 120.200 0.027 0.000 2.204 509 E HA 0.054 4.404 4.350 -0.000 0.000 0.194 509 E C 2.737 179.350 176.600 0.023 0.000 0.989 509 E CA 0.555 56.969 56.400 0.023 0.000 0.824 509 E CB -0.059 29.652 29.700 0.018 0.000 0.756 509 E HN 0.438 nan 8.360 nan 0.000 0.477 510 A N 0.920 123.755 122.820 0.025 0.000 2.119 510 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 510 A C 1.396 178.997 177.584 0.028 0.000 1.152 510 A CA 0.766 52.818 52.037 0.024 0.000 0.708 510 A CB -0.065 18.949 19.000 0.023 0.000 0.805 510 A HN 0.083 nan 8.150 nan 0.000 0.460 511 N N -0.927 117.794 118.700 0.035 0.000 2.230 511 N HA 0.329 5.068 4.740 -0.000 0.000 0.202 511 N C 0.821 176.351 175.510 0.033 0.000 1.119 511 N CA 0.866 53.940 53.050 0.040 0.000 0.851 511 N CB 0.600 39.123 38.487 0.059 0.000 0.990 511 N HN 0.485 nan 8.380 nan 0.000 0.497 512 G N 0.193 109.010 108.800 0.028 0.000 2.136 512 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.242 512 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.242 512 G C 0.691 175.605 174.900 0.024 0.000 0.989 512 G CA 0.132 45.245 45.100 0.022 0.000 0.682 512 G HN 0.319 nan 8.290 nan 0.000 0.522 513 L N -0.070 121.171 121.223 0.030 0.000 2.341 513 L HA 0.300 4.640 4.340 -0.000 0.000 0.214 513 L C 2.395 179.280 176.870 0.025 0.000 1.115 513 L CA 0.975 55.834 54.840 0.032 0.000 0.820 513 L CB -0.336 41.750 42.059 0.045 0.000 0.944 513 L HN 1.077 nan 8.230 nan 0.000 0.452 514 G N 0.361 109.174 108.800 0.022 0.000 2.160 514 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.251 514 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.251 514 G C 0.435 175.346 174.900 0.018 0.000 1.008 514 G CA 0.204 45.315 45.100 0.018 0.000 0.724 514 G HN 0.767 nan 8.290 nan 0.000 0.514 515 G N -1.555 107.259 108.800 0.022 0.000 2.321 515 G HA2 0.633 4.593 3.960 -0.000 0.000 0.298 515 G HA3 0.633 4.593 3.960 -0.000 0.000 0.298 515 G C -3.177 171.741 174.900 0.029 0.000 1.385 515 G CA 0.067 45.180 45.100 0.022 0.000 0.856 515 G HN 0.533 nan 8.290 nan 0.000 0.584 516 P HA 0.370 nan 4.420 nan 0.000 0.274 516 P C 0.656 177.979 177.300 0.038 0.000 1.237 516 P CA -0.339 62.775 63.100 0.024 0.000 0.793 516 P CB 0.797 32.505 31.700 0.014 0.000 0.977 517 L N 1.903 123.144 121.223 0.029 0.000 2.503 517 L HA 0.043 4.383 4.340 -0.000 0.000 0.287 517 L C -1.479 175.395 176.870 0.008 0.000 1.252 517 L CA -1.192 53.659 54.840 0.017 0.000 0.835 517 L CB -0.780 41.228 42.059 -0.085 0.000 1.099 517 L HN 0.325 nan 8.230 nan 0.000 0.516 518 P HA 0.115 nan 4.420 nan 0.000 0.273 518 P C -2.296 175.007 177.300 0.006 0.000 1.250 518 P CA -1.453 61.669 63.100 0.037 0.000 0.793 518 P CB -0.074 31.686 31.700 0.100 0.000 1.011 519 P HA -0.082 nan 4.420 nan 0.000 0.216 519 P C 0.084 177.429 177.300 0.075 0.000 1.150 519 P CA 1.390 64.525 63.100 0.059 0.000 0.837 519 P CB 0.133 31.884 31.700 0.085 0.000 0.786 520 V N 0.162 120.131 119.914 0.091 0.000 2.588 520 V HA 0.238 4.358 4.120 -0.000 0.000 0.304 520 V C -0.165 175.946 176.094 0.028 0.000 1.042 520 V CA -0.788 61.560 62.300 0.080 0.000 0.877 520 V CB 2.044 33.941 31.823 0.123 0.000 0.996 520 V HN -0.147 nan 8.190 nan 0.000 0.425 521 L N 4.539 125.743 121.223 -0.033 0.000 2.260 521 L HA 0.439 4.779 4.340 -0.000 0.000 0.289 521 L C 0.018 176.994 176.870 0.177 0.000 1.057 521 L CA -0.593 54.205 54.840 -0.070 0.000 0.811 521 L CB 0.462 42.355 42.059 -0.276 0.000 1.184 521 L HN 0.624 nan 8.230 nan 0.000 0.429 522 H N 5.259 124.465 119.070 0.226 0.000 2.864 522 H HA 0.197 4.753 4.556 -0.000 0.000 0.281 522 H C 0.294 175.740 175.328 0.197 0.000 1.093 522 H CA -0.015 56.140 56.048 0.178 0.000 1.453 522 H CB 1.072 30.930 29.762 0.160 0.000 1.462 522 H HN 0.609 nan 8.280 nan 0.000 0.480 523 M N 3.527 123.385 119.600 0.430 0.000 2.428 523 M HA 0.199 4.679 4.480 -0.000 0.000 0.239 523 M C 0.974 177.387 176.300 0.189 0.000 1.121 523 M CA 0.534 55.980 55.300 0.244 0.000 1.019 523 M CB 0.698 33.398 32.600 0.167 0.000 1.485 523 M HN 0.825 nan 8.290 nan 0.000 0.484 524 G N 0.483 109.474 108.800 0.318 0.000 2.295 524 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.195 524 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.195 524 G C -0.382 174.669 174.900 0.252 0.000 1.269 524 G CA -0.296 44.886 45.100 0.136 0.000 1.170 524 G HN 0.402 nan 8.290 nan 0.000 0.511 525 S N -1.017 114.770 115.700 0.146 0.000 2.640 525 S HA 0.388 4.858 4.470 -0.000 0.000 0.262 525 S C 1.618 176.312 174.600 0.156 0.000 1.232 525 S CA 0.622 58.912 58.200 0.150 0.000 0.988 525 S CB 0.867 64.149 63.200 0.136 0.000 1.034 525 S HN 1.400 nan 8.310 nan 0.000 0.569 526 C N 0.330 119.751 119.300 0.202 0.000 2.440 526 C HA -0.035 4.425 4.460 -0.000 0.000 0.278 526 C C 2.884 177.931 174.990 0.095 0.000 1.295 526 C CA 0.633 59.770 59.018 0.198 0.000 1.738 526 C CB -1.751 26.189 27.740 0.335 0.000 1.987 526 C HN 0.798 nan 8.230 nan 0.000 0.492 527 V N 0.075 120.034 119.914 0.076 0.000 2.490 527 V HA -0.157 3.963 4.120 -0.000 0.000 0.250 527 V C 1.384 177.464 176.094 -0.022 0.000 1.061 527 V CA 2.399 64.654 62.300 -0.074 0.000 1.064 527 V CB -0.907 30.822 31.823 -0.157 0.000 0.670 527 V HN 0.358 nan 8.190 nan 0.000 0.461 528 D N 0.869 121.288 120.400 0.031 0.000 2.371 528 D HA -0.028 4.612 4.640 -0.000 0.000 0.234 528 D C 1.753 178.086 176.300 0.055 0.000 1.049 528 D CA 0.352 54.364 54.000 0.021 0.000 0.907 528 D CB -0.591 40.239 40.800 0.049 0.000 0.891 528 D HN 0.486 nan 8.370 nan 0.000 0.531 529 N N 0.376 119.139 118.700 0.105 0.000 2.258 529 N HA -0.161 4.579 4.740 -0.000 0.000 0.187 529 N C 1.779 177.404 175.510 0.191 0.000 1.012 529 N CA 1.090 54.253 53.050 0.189 0.000 0.870 529 N CB -0.126 38.528 38.487 0.278 0.000 0.977 529 N HN 0.267 nan 8.380 nan 0.000 0.434 530 S N 0.840 116.564 115.700 0.039 0.000 2.419 530 S HA -0.061 4.409 4.470 -0.000 0.000 0.233 530 S C 1.830 176.268 174.600 -0.270 0.000 1.016 530 S CA 0.538 58.630 58.200 -0.180 0.000 0.974 530 S CB -0.169 62.799 63.200 -0.386 0.000 0.786 530 S HN 0.300 nan 8.310 nan 0.000 0.492 531 R N 1.419 121.821 120.500 -0.165 0.000 2.075 531 R HA 0.106 4.446 4.340 -0.000 0.000 0.232 531 R C 2.794 179.079 176.300 -0.026 0.000 1.126 531 R CA 1.204 57.232 56.100 -0.120 0.000 0.963 531 R CB -0.819 29.456 30.300 -0.041 0.000 0.858 531 R HN 0.572 nan 8.270 nan 0.000 0.435 532 A N 0.971 123.811 122.820 0.032 0.000 1.908 532 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 532 A C 2.388 180.015 177.584 0.071 0.000 1.181 532 A CA 1.426 53.500 52.037 0.062 0.000 0.627 532 A CB -0.579 18.474 19.000 0.088 0.000 0.818 532 A HN 0.106 nan 8.150 nan 0.000 0.445 533 V N -0.078 119.888 119.914 0.086 0.000 2.287 533 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 533 V C 3.073 179.222 176.094 0.091 0.000 1.053 533 V CA 2.108 64.464 62.300 0.093 0.000 1.027 533 V CB -1.338 30.521 31.823 0.060 0.000 0.646 533 V HN 0.631 nan 8.190 nan 0.000 0.447 534 A N -0.327 122.534 122.820 0.069 0.000 1.908 534 A HA -0.216 4.103 4.320 -0.000 0.000 0.218 534 A C 2.172 179.797 177.584 0.068 0.000 1.181 534 A CA 2.214 54.316 52.037 0.109 0.000 0.627 534 A CB -0.582 18.453 19.000 0.058 0.000 0.818 534 A HN 0.465 nan 8.150 nan 0.000 0.445 535 L N 0.480 121.731 121.223 0.046 0.000 2.027 535 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 535 L C 2.512 179.405 176.870 0.038 0.000 1.074 535 L CA 2.556 57.420 54.840 0.041 0.000 0.745 535 L CB -0.515 41.567 42.059 0.037 0.000 0.898 535 L HN 0.387 nan 8.230 nan 0.000 0.433 536 V N -2.828 117.110 119.914 0.041 0.000 2.871 536 V HA 0.079 4.199 4.120 -0.000 0.000 0.256 536 V C 2.405 178.519 176.094 0.032 0.000 1.082 536 V CA 1.111 63.431 62.300 0.033 0.000 1.105 536 V CB -1.536 30.306 31.823 0.032 0.000 0.713 536 V HN 0.396 nan 8.190 nan 0.000 0.473 537 A N 0.803 123.648 122.820 0.041 0.000 1.930 537 A HA 0.200 4.520 4.320 -0.000 0.000 0.217 537 A C 2.460 180.059 177.584 0.024 0.000 1.175 537 A CA 1.921 53.977 52.037 0.031 0.000 0.627 537 A CB -0.879 18.144 19.000 0.039 0.000 0.815 537 A HN 0.891 nan 8.150 nan 0.000 0.443 538 A N -0.110 122.728 122.820 0.031 0.000 1.898 538 A HA 0.010 4.329 4.320 -0.000 0.000 0.216 538 A C 2.142 179.737 177.584 0.018 0.000 1.181 538 A CA 1.364 53.415 52.037 0.024 0.000 0.620 538 A CB -0.605 18.413 19.000 0.030 0.000 0.819 538 A HN 0.451 nan 8.150 nan 0.000 0.442 539 L N -0.557 120.678 121.223 0.019 0.000 2.012 539 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 539 L C 3.138 180.015 176.870 0.011 0.000 1.073 539 L CA 1.301 56.150 54.840 0.015 0.000 0.748 539 L CB -0.653 41.415 42.059 0.014 0.000 0.891 539 L HN 0.439 nan 8.230 nan 0.000 0.431 540 A N 0.415 123.242 122.820 0.011 0.000 1.873 540 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 540 A C 2.025 179.612 177.584 0.005 0.000 1.193 540 A CA 2.522 54.563 52.037 0.008 0.000 0.629 540 A CB -1.032 17.972 19.000 0.007 0.000 0.826 540 A HN 0.566 nan 8.150 nan 0.000 0.447 541 N N -1.240 117.462 118.700 0.004 0.000 2.120 541 N HA -0.197 4.542 4.740 -0.000 0.000 0.188 541 N C 1.966 177.477 175.510 0.002 0.000 1.024 541 N CA 1.350 54.401 53.050 0.000 0.000 0.852 541 N CB -0.152 38.333 38.487 -0.002 0.000 1.003 541 N HN 0.417 nan 8.380 nan 0.000 0.424 542 R N 1.319 121.823 120.500 0.005 0.000 2.120 542 R HA 0.028 4.368 4.340 -0.000 0.000 0.234 542 R C 1.474 177.778 176.300 0.006 0.000 1.123 542 R CA 1.163 57.266 56.100 0.006 0.000 0.975 542 R CB -0.321 29.984 30.300 0.009 0.000 0.866 542 R HN 0.270 nan 8.270 nan 0.000 0.446 543 L N -1.090 120.136 121.223 0.006 0.000 2.529 543 L HA 0.287 4.626 4.340 -0.000 0.000 0.223 543 L C 1.030 177.903 176.870 0.005 0.000 1.113 543 L CA 0.439 55.283 54.840 0.007 0.000 0.861 543 L CB 0.064 42.128 42.059 0.008 0.000 1.012 543 L HN 0.500 nan 8.230 nan 0.000 0.461 544 G N 1.264 110.066 108.800 0.003 0.000 2.249 544 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.273 544 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.273 544 G C 0.062 174.963 174.900 0.002 0.000 1.036 544 G CA 0.461 45.562 45.100 0.001 0.000 0.824 544 G HN 0.325 nan 8.290 nan 0.000 0.504 545 V N -4.124 115.792 119.914 0.003 0.000 3.141 545 V HA 0.920 5.040 4.120 -0.000 0.000 0.312 545 V C -0.136 175.960 176.094 0.004 0.000 1.157 545 V CA -0.911 61.392 62.300 0.004 0.000 1.041 545 V CB 2.214 34.040 31.823 0.005 0.000 1.071 545 V HN 0.198 nan 8.190 nan 0.000 0.441 546 D N -0.106 120.296 120.400 0.005 0.000 2.332 546 D HA 0.433 5.072 4.640 -0.000 0.000 0.252 546 D C 0.842 177.145 176.300 0.006 0.000 1.050 546 D CA -0.507 53.496 54.000 0.005 0.000 0.970 546 D CB 1.752 42.556 40.800 0.008 0.000 1.141 546 D HN 0.448 nan 8.370 nan 0.000 0.485 547 L N 1.169 122.396 121.223 0.007 0.000 2.191 547 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 547 L C 1.587 178.457 176.870 0.000 0.000 1.103 547 L CA 1.267 56.111 54.840 0.006 0.000 0.769 547 L CB -0.864 41.203 42.059 0.013 0.000 0.908 547 L HN 0.523 nan 8.230 nan 0.000 0.438 548 D N -1.049 119.353 120.400 0.003 0.000 2.338 548 D HA -0.105 4.535 4.640 -0.000 0.000 0.239 548 D C 1.635 177.937 176.300 0.002 0.000 1.095 548 D CA 0.357 54.358 54.000 0.002 0.000 0.888 548 D CB -0.101 40.706 40.800 0.011 0.000 0.899 548 D HN 0.314 nan 8.370 nan 0.000 0.525 549 R N -0.456 120.044 120.500 0.000 0.000 2.404 549 R HA 0.305 4.645 4.340 -0.000 0.000 0.237 549 R C 0.504 176.800 176.300 -0.007 0.000 0.907 549 R CA -0.310 55.789 56.100 -0.002 0.000 1.063 549 R CB 0.833 31.134 30.300 0.002 0.000 1.134 549 R HN 0.145 nan 8.270 nan 0.000 0.529 550 L N 3.295 124.513 121.223 -0.008 0.000 2.418 550 L HA 0.251 4.591 4.340 -0.000 0.000 0.265 550 L C -1.871 174.986 176.870 -0.022 0.000 1.143 550 L CA -1.891 52.942 54.840 -0.010 0.000 0.809 550 L CB 0.585 42.640 42.059 -0.006 0.000 1.124 550 L HN -0.242 nan 8.230 nan 0.000 0.456 551 P HA 0.162 nan 4.420 nan 0.000 0.225 551 P C -0.965 176.312 177.300 -0.039 0.000 1.830 551 P CA 0.009 63.089 63.100 -0.033 0.000 1.051 551 P CB 0.271 31.959 31.700 -0.021 0.000 1.929 552 V N 2.962 122.846 119.914 -0.049 0.000 2.623 552 V HA 0.431 4.551 4.120 -0.000 0.000 0.304 552 V C 0.448 176.489 176.094 -0.088 0.000 1.054 552 V CA -0.814 61.451 62.300 -0.058 0.000 0.882 552 V CB 2.453 34.254 31.823 -0.036 0.000 1.002 552 V HN 0.259 nan 8.190 nan 0.000 0.424 553 V N 1.572 121.417 119.914 -0.115 0.000 3.155 553 V HA 1.109 5.228 4.120 -0.000 0.000 0.313 553 V C -0.233 175.758 176.094 -0.172 0.000 1.162 553 V CA -0.827 61.382 62.300 -0.152 0.000 1.048 553 V CB 2.025 33.753 31.823 -0.159 0.000 1.092 553 V HN 1.270 nan 8.190 nan 0.000 0.447 554 A N 0.618 123.326 122.820 -0.186 0.000 2.475 554 A HA 0.898 5.218 4.320 -0.000 0.000 0.301 554 A C -0.541 176.955 177.584 -0.147 0.000 1.059 554 A CA -0.145 51.780 52.037 -0.188 0.000 0.710 554 A CB 1.912 20.809 19.000 -0.172 0.000 1.288 554 A HN 1.724 nan 8.150 nan 0.000 0.408 555 S N 0.745 116.363 115.700 -0.137 0.000 2.756 555 S HA 0.576 5.046 4.470 -0.000 0.000 0.303 555 S C -0.349 174.331 174.600 0.134 0.000 1.135 555 S CA 0.226 58.457 58.200 0.052 0.000 1.066 555 S CB 0.798 64.072 63.200 0.123 0.000 1.008 555 S HN 1.902 nan 8.310 nan 0.000 0.482 556 A N 4.251 127.078 122.820 0.012 0.000 3.078 556 A HA 0.649 4.969 4.320 -0.000 0.000 0.279 556 A C 1.329 178.826 177.584 -0.146 0.000 1.594 556 A CA 0.022 52.066 52.037 0.010 0.000 1.301 556 A CB -0.682 18.301 19.000 -0.029 0.000 1.162 556 A HN 1.191 nan 8.150 nan 0.000 0.585 557 A N 1.054 123.737 122.820 -0.227 0.000 2.119 557 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 557 A C 0.994 178.279 177.584 -0.498 0.000 1.153 557 A CA 1.175 52.972 52.037 -0.400 0.000 0.692 557 A CB -0.020 18.639 19.000 -0.569 0.000 0.799 557 A HN 0.675 nan 8.150 nan 0.000 0.458 558 E N -0.646 119.251 120.200 -0.505 0.000 3.521 558 E HA 0.382 4.732 4.350 -0.000 0.000 0.183 558 E C -0.167 176.374 176.600 -0.097 0.000 0.981 558 E CA -0.198 56.034 56.400 -0.280 0.000 1.349 558 E CB 0.701 30.238 29.700 -0.272 0.000 1.102 558 E HN 0.466 nan 8.360 nan 0.000 0.449 559 A N 1.262 124.027 122.820 -0.092 0.000 2.507 559 A HA 0.188 4.507 4.320 -0.000 0.000 0.235 559 A C 0.763 178.334 177.584 -0.022 0.000 1.070 559 A CA 0.390 52.414 52.037 -0.022 0.000 0.768 559 A CB 0.512 19.483 19.000 -0.048 0.000 1.011 559 A HN 0.387 nan 8.150 nan 0.000 0.502 560 M N 0.315 119.929 119.600 0.022 0.000 2.146 560 M HA 0.113 4.593 4.480 -0.000 0.000 0.194 560 M C 0.477 176.785 176.300 0.014 0.000 1.652 560 M CA 0.262 55.565 55.300 0.005 0.000 0.986 560 M CB -0.405 32.208 32.600 0.021 0.000 1.496 560 M HN 0.919 nan 8.290 nan 0.000 0.576 561 H N 2.130 121.193 119.070 -0.012 0.000 2.607 561 H HA 0.126 4.682 4.556 -0.000 0.000 0.367 561 H C 0.387 175.695 175.328 -0.033 0.000 1.181 561 H CA 1.074 57.108 56.048 -0.024 0.000 1.402 561 H CB 1.170 30.919 29.762 -0.021 0.000 1.474 561 H HN 0.360 nan 8.280 nan 0.000 0.596 562 E N 2.113 122.194 120.200 -0.199 0.000 2.118 562 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 562 E C 1.925 178.611 176.600 0.143 0.000 0.992 562 E CA 1.153 57.540 56.400 -0.021 0.000 0.804 562 E CB 0.209 29.851 29.700 -0.097 0.000 0.741 562 E HN 0.555 nan 8.360 nan 0.000 0.458 563 K N 0.342 120.954 120.400 0.354 0.000 2.063 563 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 563 K C 2.183 178.889 176.600 0.177 0.000 1.048 563 K CA 1.231 57.574 56.287 0.094 0.000 0.928 563 K CB -0.169 32.179 32.500 -0.253 0.000 0.713 563 K HN 0.078 nan 8.250 nan 0.000 0.442 564 A N 0.930 123.843 122.820 0.155 0.000 1.930 564 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 564 A C 2.348 179.956 177.584 0.040 0.000 1.175 564 A CA 1.299 53.392 52.037 0.093 0.000 0.627 564 A CB -0.563 18.492 19.000 0.093 0.000 0.815 564 A HN 0.075 nan 8.150 nan 0.000 0.443 565 V N -0.030 119.910 119.914 0.043 0.000 2.332 565 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 565 V C 3.040 179.173 176.094 0.065 0.000 1.055 565 V CA 1.986 64.303 62.300 0.029 0.000 1.038 565 V CB -1.326 30.496 31.823 -0.003 0.000 0.651 565 V HN 0.616 nan 8.190 nan 0.000 0.450 566 A N -0.006 122.868 122.820 0.091 0.000 1.877 566 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 566 A C 2.193 179.778 177.584 0.002 0.000 1.186 566 A CA 2.006 54.129 52.037 0.144 0.000 0.620 566 A CB -0.566 18.579 19.000 0.241 0.000 0.822 566 A HN 0.494 nan 8.150 nan 0.000 0.443 567 I N -0.238 120.232 120.570 -0.166 0.000 2.226 567 I HA -0.218 3.951 4.170 -0.000 0.000 0.245 567 I C 2.698 178.289 176.117 -0.877 0.000 1.100 567 I CA 1.190 61.951 61.300 -0.898 0.000 1.374 567 I CB -0.587 37.110 38.000 -0.505 0.000 1.057 567 I HN 0.404 nan 8.210 nan 0.000 0.413 568 G N -0.011 108.594 108.800 -0.324 0.000 2.418 568 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 568 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 568 G C 1.655 176.457 174.900 -0.164 0.000 1.158 568 G CA 1.443 46.454 45.100 -0.148 0.000 0.771 568 G HN 0.305 nan 8.290 nan 0.000 0.545 569 T N 0.767 115.353 114.554 0.054 0.000 2.821 569 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 569 T C 2.032 176.773 174.700 0.068 0.000 1.046 569 T CA 1.285 63.462 62.100 0.128 0.000 1.139 569 T CB -0.315 68.697 68.868 0.239 0.000 0.871 569 T HN 0.796 nan 8.240 nan 0.000 0.454 570 W N 1.559 122.870 121.300 0.019 0.000 2.584 570 W HA 0.347 5.007 4.660 -0.001 0.000 0.264 570 W C 2.096 178.583 176.519 -0.054 0.000 1.264 570 W CA 0.268 57.608 57.345 -0.009 0.000 1.306 570 W CB -0.639 28.832 29.460 0.020 0.000 1.110 570 W HN 0.204 nan 8.180 nan 0.000 0.606 571 A N 1.883 124.680 122.820 -0.039 0.000 1.902 571 A HA -0.112 4.207 4.320 -0.000 0.000 0.217 571 A C 2.226 179.740 177.584 -0.117 0.000 1.181 571 A CA 2.355 54.353 52.037 -0.065 0.000 0.623 571 A CB -1.007 17.794 19.000 -0.332 0.000 0.818 571 A HN 0.150 nan 8.150 nan 0.000 0.443 572 V N -0.376 119.373 119.914 -0.275 0.000 2.358 572 V HA -0.191 3.928 4.120 -0.000 0.000 0.246 572 V C 2.706 178.733 176.094 -0.112 0.000 1.047 572 V CA 2.386 64.498 62.300 -0.313 0.000 1.035 572 V CB -1.079 30.393 31.823 -0.585 0.000 0.658 572 V HN 0.608 nan 8.190 nan 0.000 0.452 573 T N 1.234 115.778 114.554 -0.018 0.000 2.867 573 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 573 T C 1.718 176.444 174.700 0.043 0.000 1.057 573 T CA 1.820 63.940 62.100 0.033 0.000 1.136 573 T CB -0.288 68.633 68.868 0.088 0.000 0.874 573 T HN 0.695 nan 8.240 nan 0.000 0.466 574 I N -1.373 119.245 120.570 0.079 0.000 3.428 574 I HA 0.410 4.580 4.170 -0.000 0.000 0.286 574 I C 1.385 177.520 176.117 0.030 0.000 1.287 574 I CA 0.485 61.823 61.300 0.063 0.000 1.396 574 I CB -0.209 37.851 38.000 0.100 0.000 1.062 574 I HN 0.308 nan 8.210 nan 0.000 0.471 575 G N 1.628 110.429 108.800 0.002 0.000 2.151 575 G HA2 -0.068 3.891 3.960 -0.000 0.000 0.140 575 G HA3 -0.068 3.891 3.960 -0.000 0.000 0.140 575 G C -0.230 174.640 174.900 -0.050 0.000 1.020 575 G CA -0.385 44.706 45.100 -0.016 0.000 0.688 575 G HN 0.279 nan 8.290 nan 0.000 0.500 576 L N 0.793 121.958 121.223 -0.096 0.000 2.309 576 L HA 0.483 4.823 4.340 -0.000 0.000 0.282 576 L C -2.207 174.479 176.870 -0.306 0.000 1.036 576 L CA -2.363 52.383 54.840 -0.155 0.000 0.806 576 L CB 1.606 43.587 42.059 -0.130 0.000 1.220 576 L HN -0.154 nan 8.230 nan 0.000 0.429 577 P HA 0.100 nan 4.420 nan 0.000 0.271 577 P C -0.865 176.163 177.300 -0.452 0.000 1.233 577 P CA 0.046 62.734 63.100 -0.686 0.000 0.764 577 P CB 0.625 31.997 31.700 -0.546 0.000 0.825 578 T N 3.236 117.507 114.554 -0.472 0.000 2.864 578 T HA 0.184 4.533 4.350 -0.000 0.000 0.299 578 T C -0.631 174.030 174.700 -0.065 0.000 1.011 578 T CA -0.425 61.502 62.100 -0.288 0.000 0.975 578 T CB 0.130 68.724 68.868 -0.456 0.000 0.962 578 T HN 0.433 nan 8.240 nan 0.000 0.448 579 H N 4.111 123.128 119.070 -0.088 0.000 2.610 579 H HA 0.586 5.141 4.556 -0.000 0.000 0.336 579 H C -0.977 174.379 175.328 0.046 0.000 1.087 579 H CA -0.388 55.657 56.048 -0.005 0.000 1.405 579 H CB 0.821 30.563 29.762 -0.034 0.000 1.460 579 H HN 0.544 nan 8.280 nan 0.000 0.538 580 I N 3.821 124.075 120.570 -0.526 0.000 2.466 580 I HA 0.282 4.452 4.170 -0.000 0.000 0.289 580 I C 0.522 176.204 176.117 -0.725 0.000 1.026 580 I CA -0.492 60.482 61.300 -0.544 0.000 1.078 580 I CB 1.519 39.389 38.000 -0.216 0.000 1.249 580 I HN 0.789 nan 8.210 nan 0.000 0.429 581 G N 6.369 114.812 108.800 -0.596 0.000 3.233 581 G HA2 0.342 4.301 3.960 -0.000 0.000 0.234 581 G HA3 0.342 4.301 3.960 -0.000 0.000 0.234 581 G C -0.173 174.645 174.900 -0.137 0.000 1.137 581 G CA 0.116 45.063 45.100 -0.256 0.000 0.763 581 G HN 0.356 nan 8.290 nan 0.000 0.549 582 V N 0.540 120.359 119.914 -0.158 0.000 3.001 582 V HA 0.401 4.521 4.120 -0.000 0.000 0.314 582 V C -0.161 175.867 176.094 -0.109 0.000 1.099 582 V CA -0.982 61.251 62.300 -0.110 0.000 0.989 582 V CB 2.452 34.208 31.823 -0.112 0.000 1.040 582 V HN 0.035 nan 8.190 nan 0.000 0.434 583 L N 5.740 126.915 121.223 -0.081 0.000 2.369 583 L HA 0.307 4.647 4.340 -0.000 0.000 0.279 583 L C -2.010 174.799 176.870 -0.102 0.000 1.108 583 L CA -1.276 53.514 54.840 -0.083 0.000 0.852 583 L CB 1.238 43.265 42.059 -0.053 0.000 1.169 583 L HN 0.459 nan 8.230 nan 0.000 0.452 584 P HA 0.210 nan 4.420 nan 0.000 0.274 584 P C -2.620 174.611 177.300 -0.114 0.000 1.231 584 P CA -1.949 61.062 63.100 -0.148 0.000 0.790 584 P CB 0.170 31.729 31.700 -0.235 0.000 0.951 585 P HA 0.209 nan 4.420 nan 0.000 0.237 585 P C 0.373 177.631 177.300 -0.071 0.000 1.788 585 P CA 0.290 63.350 63.100 -0.068 0.000 1.061 585 P CB -0.802 30.868 31.700 -0.049 0.000 1.967 586 I N -2.042 118.481 120.570 -0.078 0.000 4.655 586 I HA 0.104 4.274 4.170 -0.000 0.000 0.333 586 I C 1.319 177.400 176.117 -0.059 0.000 1.312 586 I CA -0.091 61.164 61.300 -0.075 0.000 1.270 586 I CB -0.087 37.853 38.000 -0.099 0.000 1.318 586 I HN -0.077 nan 8.210 nan 0.000 0.456 587 T N -1.382 113.139 114.554 -0.055 0.000 3.035 587 T HA 0.094 4.443 4.350 -0.000 0.000 0.268 587 T C 1.821 176.487 174.700 -0.057 0.000 1.109 587 T CA 0.962 63.038 62.100 -0.041 0.000 1.119 587 T CB -0.602 68.251 68.868 -0.026 0.000 0.900 587 T HN 0.440 nan 8.240 nan 0.000 0.503 588 G N 0.571 109.325 108.800 -0.076 0.000 2.679 588 G HA2 0.139 4.099 3.960 -0.000 0.000 0.212 588 G HA3 0.139 4.099 3.960 -0.000 0.000 0.212 588 G C 0.518 175.358 174.900 -0.100 0.000 1.137 588 G CA 0.272 45.304 45.100 -0.113 0.000 0.787 588 G HN 0.604 nan 8.290 nan 0.000 0.534 589 S N -0.243 115.418 115.700 -0.065 0.000 2.718 589 S HA 0.320 4.790 4.470 -0.000 0.000 0.294 589 S C 0.875 175.459 174.600 -0.027 0.000 1.157 589 S CA -0.785 57.386 58.200 -0.049 0.000 1.121 589 S CB 1.047 64.223 63.200 -0.040 0.000 1.015 589 S HN 0.056 nan 8.310 nan 0.000 0.479 590 L N 6.927 128.141 121.223 -0.016 0.000 2.079 590 L HA 0.165 4.504 4.340 -0.000 0.000 0.210 590 L C -1.278 175.595 176.870 0.005 0.000 1.081 590 L CA 2.032 56.874 54.840 0.005 0.000 0.752 590 L CB -0.830 41.243 42.059 0.023 0.000 0.896 590 L HN 0.464 nan 8.230 nan 0.000 0.433 591 P HA -0.091 nan 4.420 nan 0.000 0.217 591 P C 2.033 179.336 177.300 0.005 0.000 1.151 591 P CA 1.088 64.190 63.100 0.004 0.000 0.828 591 P CB 0.085 31.786 31.700 0.001 0.000 0.788 592 V N -0.693 119.220 119.914 -0.002 0.000 2.453 592 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 592 V C 2.271 178.369 176.094 0.007 0.000 1.048 592 V CA 2.294 64.594 62.300 0.001 0.000 1.049 592 V CB -1.705 30.111 31.823 -0.012 0.000 0.672 592 V HN 0.172 nan 8.190 nan 0.000 0.457 593 T N -0.398 114.156 114.554 -0.000 0.000 2.684 593 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 593 T C 1.952 176.670 174.700 0.030 0.000 1.036 593 T CA 1.459 63.563 62.100 0.007 0.000 1.148 593 T CB -0.253 68.616 68.868 0.002 0.000 0.863 593 T HN 0.443 nan 8.240 nan 0.000 0.436 594 Q N 0.314 120.129 119.800 0.024 0.000 2.167 594 Q HA 0.054 4.394 4.340 -0.000 0.000 0.202 594 Q C 2.445 178.465 176.000 0.033 0.000 0.970 594 Q CA 0.921 56.738 55.803 0.025 0.000 0.855 594 Q CB -0.462 28.285 28.738 0.014 0.000 0.911 594 Q HN 0.557 nan 8.270 nan 0.000 0.438 595 I N 0.608 121.200 120.570 0.036 0.000 2.142 595 I HA -0.293 3.877 4.170 -0.000 0.000 0.240 595 I C 2.244 178.413 176.117 0.087 0.000 1.078 595 I CA 1.160 62.488 61.300 0.046 0.000 1.343 595 I CB -0.295 37.728 38.000 0.038 0.000 1.046 595 I HN 0.112 nan 8.210 nan 0.000 0.405 596 L N -0.024 121.268 121.223 0.116 0.000 2.217 596 L HA -0.118 4.221 4.340 -0.000 0.000 0.211 596 L C 2.318 179.370 176.870 0.303 0.000 1.107 596 L CA 1.589 56.567 54.840 0.230 0.000 0.783 596 L CB -0.643 41.527 42.059 0.185 0.000 0.919 596 L HN 0.444 nan 8.230 nan 0.000 0.442 597 T N -6.881 107.795 114.554 0.203 0.000 3.054 597 T HA 0.145 4.495 4.350 -0.000 0.000 0.255 597 T C 1.244 176.007 174.700 0.104 0.000 1.035 597 T CA 0.490 62.728 62.100 0.230 0.000 0.941 597 T CB 0.874 69.838 68.868 0.160 0.000 1.026 597 T HN 0.139 nan 8.240 nan 0.000 0.533 598 S N 0.310 116.037 115.700 0.045 0.000 4.736 598 S HA 0.149 4.618 4.470 -0.000 0.000 0.170 598 S C 1.630 176.207 174.600 -0.038 0.000 1.074 598 S CA 0.559 58.721 58.200 -0.063 0.000 1.250 598 S CB -0.285 62.881 63.200 -0.057 0.000 1.772 598 S HN 0.362 nan 8.310 nan 0.000 0.633 599 S N 1.545 117.242 115.700 -0.006 0.000 2.442 599 S HA -0.036 4.434 4.470 -0.000 0.000 0.236 599 S C 1.626 176.224 174.600 -0.003 0.000 1.007 599 S CA 1.142 59.338 58.200 -0.007 0.000 0.965 599 S CB -0.375 62.826 63.200 0.002 0.000 0.773 599 S HN 0.424 nan 8.310 nan 0.000 0.504 600 V N 1.948 121.875 119.914 0.022 0.000 2.759 600 V HA -0.133 3.987 4.120 -0.000 0.000 0.256 600 V C 1.987 178.086 176.094 0.009 0.000 1.080 600 V CA 1.465 63.773 62.300 0.014 0.000 1.101 600 V CB -0.528 31.327 31.823 0.053 0.000 0.698 600 V HN 0.413 nan 8.190 nan 0.000 0.477 601 K N -0.199 120.217 120.400 0.027 0.000 2.063 601 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 601 K C 1.731 178.330 176.600 -0.002 0.000 1.048 601 K CA 1.874 58.178 56.287 0.028 0.000 0.928 601 K CB -0.289 32.192 32.500 -0.033 0.000 0.713 601 K HN 0.500 nan 8.250 nan 0.000 0.442 602 D N 0.444 120.834 120.400 -0.016 0.000 2.264 602 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 602 D C 1.750 178.038 176.300 -0.021 0.000 0.966 602 D CA 0.944 54.939 54.000 -0.008 0.000 0.864 602 D CB 0.047 40.846 40.800 -0.001 0.000 0.933 602 D HN 0.291 nan 8.370 nan 0.000 0.499 603 I N 0.022 120.532 120.570 -0.100 0.000 2.512 603 I HA -0.103 4.067 4.170 -0.000 0.000 0.247 603 I C 2.226 178.223 176.117 -0.201 0.000 1.094 603 I CA 1.250 62.366 61.300 -0.308 0.000 1.427 603 I CB 0.006 37.755 38.000 -0.417 0.000 1.149 603 I HN -0.017 nan 8.210 nan 0.000 0.438 604 T N -3.057 111.439 114.554 -0.098 0.000 2.975 604 T HA 0.372 4.722 4.350 -0.000 0.000 0.257 604 T C 1.545 176.243 174.700 -0.003 0.000 1.003 604 T CA 0.553 62.628 62.100 -0.042 0.000 0.932 604 T CB 1.013 69.858 68.868 -0.038 0.000 1.087 604 T HN 0.485 nan 8.240 nan 0.000 0.512 605 G N 0.751 109.558 108.800 0.011 0.000 2.253 605 G HA2 -0.086 3.873 3.960 -0.000 0.000 0.251 605 G HA3 -0.086 3.873 3.960 -0.000 0.000 0.251 605 G C 0.551 175.495 174.900 0.073 0.000 0.998 605 G CA 0.025 45.147 45.100 0.038 0.000 0.621 605 G HN 1.086 nan 8.290 nan 0.000 0.524 606 G N -0.738 108.082 108.800 0.034 0.000 2.531 606 G HA2 0.899 4.859 3.960 -0.000 0.000 0.313 606 G HA3 0.899 4.859 3.960 -0.000 0.000 0.313 606 G C -0.582 174.366 174.900 0.079 0.000 1.238 606 G CA -0.212 44.875 45.100 -0.021 0.000 0.994 606 G HN 1.804 nan 8.290 nan 0.000 0.493 607 Y N -3.266 116.933 120.300 -0.168 0.000 2.661 607 Y HA 0.546 5.096 4.550 -0.000 0.000 0.339 607 Y C -1.751 174.044 175.900 -0.175 0.000 1.186 607 Y CA -2.126 55.891 58.100 -0.138 0.000 1.137 607 Y CB 0.260 38.697 38.460 -0.039 0.000 1.354 607 Y HN 0.458 nan 8.280 nan 0.000 0.469 608 F N 2.978 122.962 119.950 0.057 0.000 2.418 608 F HA 0.556 5.082 4.527 -0.000 0.000 0.341 608 F C 0.298 176.171 175.800 0.120 0.000 1.120 608 F CA -0.315 57.684 58.000 -0.001 0.000 1.232 608 F CB 0.870 39.878 39.000 0.013 0.000 1.175 608 F HN 0.412 nan 8.300 nan 0.000 0.569 609 I N 3.576 124.310 120.570 0.273 0.000 2.390 609 I HA 0.237 4.407 4.170 -0.000 0.000 0.283 609 I C -1.102 175.165 176.117 0.249 0.000 1.016 609 I CA -0.636 60.826 61.300 0.269 0.000 1.151 609 I CB 1.256 39.385 38.000 0.215 0.000 1.293 609 I HN 0.116 nan 8.210 nan 0.000 0.458 610 V N 5.583 125.601 119.914 0.173 0.000 2.348 610 V HA 0.361 4.481 4.120 -0.000 0.000 0.270 610 V C -0.165 176.000 176.094 0.119 0.000 1.037 610 V CA -0.227 62.123 62.300 0.084 0.000 0.872 610 V CB 0.980 32.812 31.823 0.015 0.000 1.002 610 V HN 0.648 nan 8.190 nan 0.000 0.464 611 E N 4.299 124.605 120.200 0.177 0.000 2.361 611 E HA 0.408 4.757 4.350 -0.000 0.000 0.270 611 E C -0.344 176.370 176.600 0.190 0.000 0.911 611 E CA -0.517 55.988 56.400 0.175 0.000 0.818 611 E CB 1.548 31.344 29.700 0.160 0.000 1.332 611 E HN 0.305 nan 8.360 nan 0.000 0.402 612 L N 2.365 123.640 121.223 0.086 0.000 2.341 612 L HA 0.224 4.564 4.340 -0.000 0.000 0.214 612 L C 0.473 177.371 176.870 0.047 0.000 1.115 612 L CA 0.736 55.610 54.840 0.057 0.000 0.820 612 L CB -0.251 41.822 42.059 0.023 0.000 0.944 612 L HN 0.544 nan 8.230 nan 0.000 0.452 613 D N 0.167 120.591 120.400 0.040 0.000 2.316 613 D HA 0.108 4.748 4.640 -0.000 0.000 0.245 613 D C -1.511 174.792 176.300 0.005 0.000 1.171 613 D CA -1.841 52.171 54.000 0.019 0.000 0.856 613 D CB 1.364 42.172 40.800 0.013 0.000 1.090 613 D HN -0.064 nan 8.370 nan 0.000 0.476 614 P HA -0.113 nan 4.420 nan 0.000 0.219 614 P C 0.936 178.213 177.300 -0.038 0.000 1.150 614 P CA 0.684 63.768 63.100 -0.026 0.000 0.814 614 P CB 0.464 32.148 31.700 -0.026 0.000 0.787 615 E N -0.134 120.054 120.200 -0.019 0.000 2.077 615 E HA -0.097 4.252 4.350 -0.000 0.000 0.193 615 E C 2.006 178.592 176.600 -0.023 0.000 0.989 615 E CA 1.453 57.845 56.400 -0.013 0.000 0.800 615 E CB -1.183 28.517 29.700 -0.001 0.000 0.746 615 E HN 0.254 nan 8.360 nan 0.000 0.452 616 T N 1.315 115.856 114.554 -0.022 0.000 2.788 616 T HA -0.117 4.232 4.350 -0.000 0.000 0.268 616 T C 1.952 176.616 174.700 -0.060 0.000 1.044 616 T CA 1.417 63.502 62.100 -0.024 0.000 1.139 616 T CB -0.195 68.670 68.868 -0.006 0.000 0.867 616 T HN 0.258 nan 8.240 nan 0.000 0.454 617 A N 1.452 124.202 122.820 -0.117 0.000 1.933 617 A HA 0.190 4.510 4.320 -0.000 0.000 0.218 617 A C 2.654 180.089 177.584 -0.248 0.000 1.175 617 A CA 1.723 53.583 52.037 -0.294 0.000 0.628 617 A CB -1.053 17.585 19.000 -0.603 0.000 0.814 617 A HN 0.510 nan 8.150 nan 0.000 0.444 618 A N 0.004 122.740 122.820 -0.139 0.000 1.898 618 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 618 A C 1.752 179.309 177.584 -0.046 0.000 1.181 618 A CA 1.852 53.849 52.037 -0.067 0.000 0.620 618 A CB -0.523 18.471 19.000 -0.011 0.000 0.819 618 A HN 0.446 nan 8.150 nan 0.000 0.442 619 D N -0.191 120.188 120.400 -0.035 0.000 2.144 619 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 619 D C 1.908 178.196 176.300 -0.020 0.000 0.978 619 D CA 1.260 55.252 54.000 -0.013 0.000 0.833 619 D CB -0.237 40.562 40.800 -0.000 0.000 0.961 619 D HN 0.483 nan 8.370 nan 0.000 0.470 620 K N 0.068 120.447 120.400 -0.036 0.000 2.097 620 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 620 K C 2.233 178.814 176.600 -0.031 0.000 1.050 620 K CA 0.459 56.734 56.287 -0.020 0.000 0.938 620 K CB -0.014 32.482 32.500 -0.007 0.000 0.718 620 K HN 0.128 nan 8.250 nan 0.000 0.442 621 L N 0.676 121.856 121.223 -0.072 0.000 2.109 621 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 621 L C 2.187 179.020 176.870 -0.061 0.000 1.086 621 L CA 0.852 55.643 54.840 -0.081 0.000 0.760 621 L CB -0.255 41.734 42.059 -0.116 0.000 0.910 621 L HN 0.141 nan 8.230 nan 0.000 0.437 622 L N -0.562 120.637 121.223 -0.040 0.000 2.046 622 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 622 L C 2.855 179.700 176.870 -0.042 0.000 1.077 622 L CA 1.146 55.973 54.840 -0.022 0.000 0.747 622 L CB -0.713 41.352 42.059 0.012 0.000 0.896 622 L HN 0.231 nan 8.230 nan 0.000 0.432 623 A N 0.028 122.822 122.820 -0.044 0.000 1.908 623 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 623 A C 2.532 180.048 177.584 -0.113 0.000 1.181 623 A CA 1.837 53.824 52.037 -0.084 0.000 0.627 623 A CB -0.730 18.243 19.000 -0.045 0.000 0.818 623 A HN 0.410 nan 8.150 nan 0.000 0.445 624 A N -0.009 122.778 122.820 -0.055 0.000 1.858 624 A HA -0.094 4.225 4.320 -0.000 0.000 0.216 624 A C 2.133 179.664 177.584 -0.088 0.000 1.190 624 A CA 1.528 53.544 52.037 -0.036 0.000 0.617 624 A CB -0.655 18.335 19.000 -0.015 0.000 0.827 624 A HN 0.488 nan 8.150 nan 0.000 0.443 625 I N 0.199 120.716 120.570 -0.090 0.000 2.151 625 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 625 I C 2.015 178.055 176.117 -0.128 0.000 1.080 625 I CA 1.465 62.714 61.300 -0.086 0.000 1.339 625 I CB -0.441 37.525 38.000 -0.057 0.000 1.039 625 I HN 0.322 nan 8.210 nan 0.000 0.409 626 N N 0.591 119.174 118.700 -0.195 0.000 2.331 626 N HA -0.143 4.597 4.740 -0.000 0.000 0.180 626 N C 1.657 176.778 175.510 -0.648 0.000 1.019 626 N CA 1.015 53.827 53.050 -0.397 0.000 0.881 626 N CB -0.188 38.022 38.487 -0.462 0.000 0.972 626 N HN 0.469 nan 8.380 nan 0.000 0.435 627 E N 0.350 120.279 120.200 -0.451 0.000 2.106 627 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 627 E C 1.852 178.322 176.600 -0.217 0.000 0.984 627 E CA 0.546 56.734 56.400 -0.353 0.000 0.806 627 E CB 0.146 29.720 29.700 -0.209 0.000 0.750 627 E HN 0.208 nan 8.360 nan 0.000 0.458 628 R N 0.857 121.265 120.500 -0.152 0.000 2.066 628 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 628 R C 2.259 178.514 176.300 -0.076 0.000 1.131 628 R CA 0.934 56.982 56.100 -0.087 0.000 0.955 628 R CB -0.483 29.781 30.300 -0.060 0.000 0.851 628 R HN 0.179 nan 8.270 nan 0.000 0.432 629 R N 0.490 120.936 120.500 -0.090 0.000 2.096 629 R HA -0.133 4.207 4.340 -0.000 0.000 0.240 629 R C 2.326 178.629 176.300 0.005 0.000 1.139 629 R CA 1.755 57.843 56.100 -0.019 0.000 0.952 629 R CB -0.553 29.770 30.300 0.038 0.000 0.854 629 R HN 0.219 nan 8.270 nan 0.000 0.436 630 A N 0.723 123.479 122.820 -0.106 0.000 1.933 630 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 630 A C 2.413 180.006 177.584 0.015 0.000 1.175 630 A CA 1.774 53.811 52.037 -0.000 0.000 0.628 630 A CB -1.122 17.808 19.000 -0.117 0.000 0.814 630 A HN 0.503 nan 8.150 nan 0.000 0.444 631 G N -0.475 108.309 108.800 -0.027 0.000 2.448 631 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.219 631 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.219 631 G C 1.309 176.215 174.900 0.010 0.000 1.127 631 G CA 0.950 46.045 45.100 -0.008 0.000 0.766 631 G HN 0.464 nan 8.290 nan 0.000 0.552 632 L N 0.253 121.485 121.223 0.016 0.000 2.592 632 L HA 0.276 4.615 4.340 -0.000 0.000 0.227 632 L C 1.890 178.784 176.870 0.040 0.000 1.127 632 L CA 0.322 55.176 54.840 0.024 0.000 0.884 632 L CB 0.041 42.114 42.059 0.022 0.000 1.065 632 L HN 0.333 nan 8.230 nan 0.000 0.457 633 G N 0.802 109.635 108.800 0.055 0.000 2.147 633 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 633 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 633 G C 0.040 174.992 174.900 0.087 0.000 1.005 633 G CA -0.064 45.078 45.100 0.069 0.000 0.713 633 G HN 0.243 nan 8.290 nan 0.000 0.515 634 L N 0.203 121.494 121.223 0.113 0.000 2.343 634 L HA 0.494 4.834 4.340 -0.000 0.000 0.275 634 L C -1.592 175.401 176.870 0.205 0.000 1.056 634 L CA -2.428 52.486 54.840 0.123 0.000 0.804 634 L CB 1.277 43.399 42.059 0.105 0.000 1.203 634 L HN -0.116 nan 8.230 nan 0.000 0.440 635 P HA 0.017 nan 4.420 nan 0.000 0.270 635 P C -1.188 176.248 177.300 0.227 0.000 1.227 635 P CA -0.030 63.119 63.100 0.082 0.000 0.788 635 P CB 0.391 32.092 31.700 0.001 0.000 0.926 636 W N 0.000 121.303 121.300 0.005 0.000 2.388 636 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 636 W CA 0.000 57.348 57.345 0.005 0.000 1.226 636 W CB 0.000 29.463 29.460 0.006 0.000 1.126 636 W HN 0.000 nan 8.180 nan 0.000 0.535