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 1jqn_1_A DATA FIRST_RESID 4 DATA SEQUENCE QYSALRSNVS MLGKVLGETI KDALGEHILE RVETIRKLSK SSRAGNDANR DATA SEQUENCE QELLTTLQNL SNDELLPVAR AFSQFLNLAN TAEQYHSISP KGEAASNPEV DATA SEQUENCE IARTLRKLKN QPELSEDTIK KAVESLSLEL VLTAHPTEIT RRTLIHKMVE DATA SEQUENCE VNACLKQLDN KDIADYEHNQ LMRRLRQLIA QSWHTDEIRK LRPSPVDEAK DATA SEQUENCE WGFAVVENSL WQGVPNYLRE LNEQLEENLG YKLPVEFVPV RFTSWMGGDR DATA SEQUENCE DGNPNVTADI TRHVLLLSRW KATDLFLKDI QVLVSELSMV EATPELLALV DATA SEQUENCE GEEGAAEPYR YLMKNLRSRL MATQAWLEAR LKGEELPKPE GLLTQNEELW DATA SEQUENCE EPLYACYQSL QACGMGIIAN GDLLDTLRRV KCFGVPLVRI DIRQESTRHT DATA SEQUENCE EALGELTRYL GIGDYESWSE ADKQAFLIRE LNSKRPLLPR NWQPSAETRE DATA SEQUENCE VLDTCQVIAE APQGSIAAYV ISMAKTPSDV LAVHLLLKEA GIGFAMPVAP DATA SEQUENCE LFETLDDLNN ANDVMTQLLN IDWYRGLIQG KQMVMIGYSD SAKDAGVMAA DATA SEQUENCE SWAQYQAQDA LIKTCEKAGI ELTLFHGRGG SIGRGGAPAH AALLSQPPGS DATA SEQUENCE LKGGLRVTEQ GEMIRFKYGL PEITVSSLSL YTGAILEANL LPPPEPKESW DATA SEQUENCE RRIMDELSVI SCDVYRGYVR ENKDFVPYFR SATPEQELGK LPLGSRPXXX DATA SEQUENCE XXXGGVESLR AIPWIFAWTQ NRLMLPAWLG AGTALQKVVE DGKQSELEAM DATA SEQUENCE CRDWPFFSTR LGMLEMVFAK ADLWLAEYYD QRLVDKALWP LGKELRNLQE DATA SEQUENCE EDIKVVLAIA NDSHLMADLP WIAESIQLRN IYTDPLNVLQ AELLHRSRQA DATA SEQUENCE EKEGQEPDPR VEQALMVTIA GIAAGMRNTG 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.731 176.000 -0.449 0.000 1.003 4 Q CA 0.000 55.588 55.803 -0.358 0.000 1.022 4 Q CB 0.000 28.390 28.738 -0.579 0.000 1.108 5 Y N 1.107 121.435 120.300 0.047 0.000 2.774 5 Y HA 0.268 4.813 4.550 -0.009 0.000 0.305 5 Y C 1.609 177.497 175.900 -0.019 0.000 1.067 5 Y CA 0.496 58.594 58.100 -0.004 0.000 1.304 5 Y CB 0.658 39.128 38.460 0.017 0.000 1.209 5 Y HN 0.194 nan 8.280 nan 0.000 0.543 6 S N -0.505 115.244 115.700 0.082 0.000 2.383 6 S HA -0.216 4.248 4.470 -0.009 0.000 0.227 6 S C 2.319 176.964 174.600 0.076 0.000 1.026 6 S CA 0.923 59.165 58.200 0.070 0.000 0.981 6 S CB -0.418 62.807 63.200 0.041 0.000 0.818 6 S HN 0.430 nan 8.310 nan 0.000 0.472 7 A N 1.878 124.753 122.820 0.091 0.000 1.933 7 A HA 0.050 4.364 4.320 -0.009 0.000 0.218 7 A C 2.238 179.893 177.584 0.118 0.000 1.175 7 A CA 1.608 53.719 52.037 0.123 0.000 0.628 7 A CB -0.866 18.245 19.000 0.185 0.000 0.814 7 A HN 0.534 nan 8.150 nan 0.000 0.444 8 L N -0.501 120.744 121.223 0.037 0.000 2.027 8 L HA -0.115 4.219 4.340 -0.009 0.000 0.206 8 L C 2.414 179.316 176.870 0.054 0.000 1.074 8 L CA 1.772 56.606 54.840 -0.010 0.000 0.745 8 L CB -0.478 41.445 42.059 -0.227 0.000 0.898 8 L HN 0.215 nan 8.230 nan 0.000 0.433 9 R N -0.270 120.268 120.500 0.064 0.000 2.091 9 R HA -0.088 4.247 4.340 -0.009 0.000 0.238 9 R C 2.287 178.633 176.300 0.077 0.000 1.136 9 R CA 1.490 57.636 56.100 0.077 0.000 0.959 9 R CB -1.324 29.023 30.300 0.078 0.000 0.856 9 R HN 0.461 nan 8.270 nan 0.000 0.437 10 S N 1.562 117.307 115.700 0.074 0.000 2.343 10 S HA -0.113 4.352 4.470 -0.009 0.000 0.219 10 S C 1.699 176.342 174.600 0.072 0.000 1.033 10 S CA 1.221 59.464 58.200 0.071 0.000 1.014 10 S CB -0.337 62.905 63.200 0.071 0.000 0.915 10 S HN 0.329 nan 8.310 nan 0.000 0.435 11 N N 1.224 119.972 118.700 0.081 0.000 2.094 11 N HA -0.097 4.638 4.740 -0.009 0.000 0.191 11 N C 1.742 177.287 175.510 0.059 0.000 1.023 11 N CA 1.086 54.178 53.050 0.071 0.000 0.857 11 N CB -0.747 37.801 38.487 0.102 0.000 1.013 11 N HN 0.187 nan 8.380 nan 0.000 0.426 12 V N 0.209 120.162 119.914 0.064 0.000 2.407 12 V HA -0.160 3.955 4.120 -0.009 0.000 0.248 12 V C 2.480 178.624 176.094 0.084 0.000 1.055 12 V CA 1.639 63.967 62.300 0.047 0.000 1.049 12 V CB -0.547 31.299 31.823 0.038 0.000 0.662 12 V HN 0.325 nan 8.190 nan 0.000 0.455 13 S N -0.931 114.825 115.700 0.094 0.000 2.387 13 S HA -0.157 4.308 4.470 -0.009 0.000 0.226 13 S C 1.976 176.628 174.600 0.086 0.000 1.026 13 S CA 1.591 59.852 58.200 0.102 0.000 0.972 13 S CB -0.250 62.999 63.200 0.083 0.000 0.814 13 S HN 0.500 nan 8.310 nan 0.000 0.477 14 M N 0.766 120.406 119.600 0.065 0.000 2.175 14 M HA -0.005 4.470 4.480 -0.009 0.000 0.264 14 M C 1.705 178.026 176.300 0.036 0.000 1.063 14 M CA 1.466 56.796 55.300 0.049 0.000 1.119 14 M CB -0.574 32.050 32.600 0.041 0.000 1.377 14 M HN 0.367 nan 8.290 nan 0.000 0.415 15 L N -0.484 120.757 121.223 0.031 0.000 2.156 15 L HA -0.058 4.277 4.340 -0.009 0.000 0.208 15 L C 2.602 179.485 176.870 0.020 0.000 1.095 15 L CA 1.047 55.890 54.840 0.005 0.000 0.770 15 L CB -1.206 40.848 42.059 -0.007 0.000 0.914 15 L HN 0.417 nan 8.230 nan 0.000 0.439 16 G N 0.143 109.009 108.800 0.109 0.000 2.422 16 G HA2 -0.226 3.728 3.960 -0.009 0.000 0.218 16 G HA3 -0.226 3.728 3.960 -0.009 0.000 0.218 16 G C 1.699 176.712 174.900 0.188 0.000 1.146 16 G CA 0.484 45.740 45.100 0.260 0.000 0.769 16 G HN 0.289 nan 8.290 nan 0.000 0.547 17 K N -0.053 120.411 120.400 0.106 0.000 2.001 17 K HA -0.013 4.302 4.320 -0.009 0.000 0.208 17 K C 2.588 179.191 176.600 0.005 0.000 1.048 17 K CA 1.169 57.493 56.287 0.061 0.000 0.932 17 K CB -0.473 32.055 32.500 0.047 0.000 0.715 17 K HN 0.162 nan 8.250 nan 0.000 0.437 18 V N 1.921 121.827 119.914 -0.014 0.000 2.380 18 V HA -0.259 3.855 4.120 -0.009 0.000 0.251 18 V C 2.229 178.258 176.094 -0.108 0.000 1.063 18 V CA 1.620 63.891 62.300 -0.049 0.000 1.055 18 V CB -0.473 31.322 31.823 -0.047 0.000 0.657 18 V HN 0.280 nan 8.190 nan 0.000 0.455 19 L N 1.249 122.379 121.223 -0.156 0.000 2.072 19 L HA 0.076 4.410 4.340 -0.009 0.000 0.205 19 L C 2.373 179.045 176.870 -0.330 0.000 1.079 19 L CA 2.334 56.987 54.840 -0.312 0.000 0.752 19 L CB -1.287 40.459 42.059 -0.521 0.000 0.906 19 L HN 0.242 nan 8.230 nan 0.000 0.436 20 G N -1.039 107.666 108.800 -0.159 0.000 2.440 20 G HA2 -0.261 3.694 3.960 -0.009 0.000 0.218 20 G HA3 -0.261 3.694 3.960 -0.009 0.000 0.218 20 G C 1.443 176.268 174.900 -0.125 0.000 1.154 20 G CA 0.892 45.947 45.100 -0.075 0.000 0.767 20 G HN 0.538 nan 8.290 nan 0.000 0.552 21 E N -0.230 119.909 120.200 -0.101 0.000 2.106 21 E HA -0.062 4.282 4.350 -0.009 0.000 0.192 21 E C 2.708 179.232 176.600 -0.126 0.000 0.984 21 E CA 1.264 57.613 56.400 -0.085 0.000 0.806 21 E CB -0.131 29.540 29.700 -0.050 0.000 0.750 21 E HN 0.318 nan 8.360 nan 0.000 0.458 22 T N 1.312 115.757 114.554 -0.183 0.000 2.915 22 T HA -0.077 4.268 4.350 -0.009 0.000 0.269 22 T C 1.694 176.169 174.700 -0.375 0.000 1.071 22 T CA 0.623 62.594 62.100 -0.215 0.000 1.132 22 T CB 0.048 68.777 68.868 -0.232 0.000 0.878 22 T HN 0.090 nan 8.240 nan 0.000 0.479 23 I N 1.039 121.313 120.570 -0.493 0.000 2.584 23 I HA 0.034 4.198 4.170 -0.009 0.000 0.255 23 I C 2.160 178.119 176.117 -0.264 0.000 1.145 23 I CA 1.020 61.956 61.300 -0.607 0.000 1.462 23 I CB -0.788 36.825 38.000 -0.644 0.000 1.102 23 I HN 0.255 nan 8.210 nan 0.000 0.433 24 K N 0.794 121.094 120.400 -0.166 0.000 2.209 24 K HA -0.166 4.148 4.320 -0.009 0.000 0.204 24 K C 1.477 178.057 176.600 -0.033 0.000 1.048 24 K CA 1.265 57.508 56.287 -0.073 0.000 0.940 24 K CB 0.034 32.504 32.500 -0.050 0.000 0.729 24 K HN 0.310 nan 8.250 nan 0.000 0.451 25 D N 0.698 121.078 120.400 -0.033 0.000 2.146 25 D HA -0.043 4.591 4.640 -0.009 0.000 0.209 25 D C 1.884 178.228 176.300 0.072 0.000 0.973 25 D CA 1.137 55.149 54.000 0.020 0.000 0.860 25 D CB -0.490 40.328 40.800 0.030 0.000 1.015 25 D HN 0.080 nan 8.370 nan 0.000 0.465 26 A N 1.225 124.114 122.820 0.114 0.000 1.862 26 A HA -0.149 4.166 4.320 -0.009 0.000 0.217 26 A C 1.351 179.054 177.584 0.198 0.000 1.251 26 A CA 1.843 54.039 52.037 0.266 0.000 0.673 26 A CB -1.070 18.142 19.000 0.354 0.000 0.843 26 A HN 0.379 nan 8.150 nan 0.000 0.458 27 L N -3.435 117.883 121.223 0.159 0.000 2.637 27 L HA 0.666 5.000 4.340 -0.009 0.000 0.241 27 L C 0.514 177.437 176.870 0.088 0.000 1.398 27 L CA -0.443 54.477 54.840 0.134 0.000 0.895 27 L CB -0.207 41.955 42.059 0.172 0.000 1.183 27 L HN 0.971 nan 8.230 nan 0.000 0.497 28 G N 2.096 110.936 108.800 0.066 0.000 2.801 28 G HA2 -0.308 3.647 3.960 -0.009 0.000 0.244 28 G HA3 -0.308 3.647 3.960 -0.009 0.000 0.244 28 G C 0.407 175.330 174.900 0.038 0.000 1.385 28 G CA 0.570 45.704 45.100 0.056 0.000 0.894 28 G HN 0.964 nan 8.290 nan 0.000 0.562 29 E N -1.606 118.623 120.200 0.050 0.000 2.481 29 E HA 0.142 4.487 4.350 -0.009 0.000 0.198 29 E C 1.536 178.187 176.600 0.086 0.000 1.027 29 E CA 0.580 57.002 56.400 0.036 0.000 0.900 29 E CB 0.060 29.774 29.700 0.024 0.000 0.993 29 E HN 0.817 nan 8.360 nan 0.000 0.482 30 H N 1.556 120.627 119.070 0.002 0.000 2.321 30 H HA -0.099 4.452 4.556 -0.009 0.000 0.300 30 H C 1.661 176.992 175.328 0.006 0.000 1.087 30 H CA 1.390 57.443 56.048 0.008 0.000 1.319 30 H CB 0.282 30.054 29.762 0.017 0.000 1.379 30 H HN 0.141 nan 8.280 nan 0.000 0.501 31 I N 0.958 121.468 120.570 -0.100 0.000 2.264 31 I HA -0.248 3.917 4.170 -0.009 0.000 0.248 31 I C 2.617 178.663 176.117 -0.119 0.000 1.111 31 I CA 0.735 61.934 61.300 -0.168 0.000 1.382 31 I CB -1.067 36.895 38.000 -0.063 0.000 1.060 31 I HN 0.338 nan 8.210 nan 0.000 0.418 32 L N 0.892 122.074 121.223 -0.069 0.000 2.141 32 L HA -0.156 4.178 4.340 -0.009 0.000 0.209 32 L C 2.530 179.379 176.870 -0.035 0.000 1.094 32 L CA 1.699 56.506 54.840 -0.054 0.000 0.763 32 L CB -0.753 41.285 42.059 -0.035 0.000 0.908 32 L HN 0.277 nan 8.230 nan 0.000 0.437 33 E N -0.795 119.405 120.200 -0.001 0.000 2.106 33 E HA -0.203 4.141 4.350 -0.009 0.000 0.192 33 E C 2.125 178.734 176.600 0.014 0.000 0.984 33 E CA 0.608 57.026 56.400 0.030 0.000 0.806 33 E CB 0.123 29.882 29.700 0.099 0.000 0.750 33 E HN 0.359 nan 8.360 nan 0.000 0.458 34 R N 0.452 120.934 120.500 -0.030 0.000 2.073 34 R HA -0.081 4.254 4.340 -0.009 0.000 0.234 34 R C 2.520 178.823 176.300 0.005 0.000 1.134 34 R CA 0.945 57.028 56.100 -0.028 0.000 0.952 34 R CB -1.106 29.124 30.300 -0.116 0.000 0.850 34 R HN 0.158 nan 8.270 nan 0.000 0.433 35 V N 1.247 121.116 119.914 -0.075 0.000 2.469 35 V HA -0.227 3.887 4.120 -0.009 0.000 0.251 35 V C 2.251 178.364 176.094 0.032 0.000 1.064 35 V CA 1.870 64.089 62.300 -0.134 0.000 1.066 35 V CB -0.384 31.214 31.823 -0.376 0.000 0.667 35 V HN 0.253 nan 8.190 nan 0.000 0.461 36 E N -0.260 119.935 120.200 -0.009 0.000 2.112 36 E HA -0.120 4.225 4.350 -0.009 0.000 0.190 36 E C 2.300 178.911 176.600 0.018 0.000 0.979 36 E CA 1.478 57.874 56.400 -0.007 0.000 0.814 36 E CB -0.283 29.405 29.700 -0.020 0.000 0.762 36 E HN 0.582 nan 8.360 nan 0.000 0.460 37 T N 0.573 115.147 114.554 0.034 0.000 2.708 37 T HA -0.092 4.253 4.350 -0.009 0.000 0.266 37 T C 1.881 176.607 174.700 0.044 0.000 1.037 37 T CA 1.253 63.374 62.100 0.035 0.000 1.146 37 T CB -0.236 68.658 68.868 0.044 0.000 0.865 37 T HN 0.127 nan 8.240 nan 0.000 0.435 38 I N 0.717 121.341 120.570 0.091 0.000 2.226 38 I HA -0.186 3.978 4.170 -0.009 0.000 0.245 38 I C 2.844 178.980 176.117 0.031 0.000 1.100 38 I CA 1.274 62.629 61.300 0.092 0.000 1.374 38 I CB -0.378 37.747 38.000 0.209 0.000 1.057 38 I HN 0.155 nan 8.210 nan 0.000 0.413 39 R N 1.676 122.218 120.500 0.070 0.000 2.073 39 R HA -0.248 4.086 4.340 -0.009 0.000 0.234 39 R C 2.383 178.640 176.300 -0.073 0.000 1.134 39 R CA 2.088 58.174 56.100 -0.023 0.000 0.952 39 R CB -0.199 30.107 30.300 0.009 0.000 0.850 39 R HN 0.275 nan 8.270 nan 0.000 0.433 40 K N 0.497 120.869 120.400 -0.048 0.000 2.025 40 K HA -0.114 4.201 4.320 -0.009 0.000 0.207 40 K C 2.172 178.733 176.600 -0.064 0.000 1.049 40 K CA 1.365 57.614 56.287 -0.062 0.000 0.933 40 K CB -0.170 32.305 32.500 -0.042 0.000 0.714 40 K HN 0.229 nan 8.250 nan 0.000 0.438 41 L N 0.982 122.182 121.223 -0.039 0.000 2.046 41 L HA -0.172 4.163 4.340 -0.009 0.000 0.208 41 L C 2.805 179.643 176.870 -0.053 0.000 1.077 41 L CA 1.443 56.264 54.840 -0.031 0.000 0.747 41 L CB -0.598 41.459 42.059 -0.002 0.000 0.896 41 L HN 0.350 nan 8.230 nan 0.000 0.432 42 S N -0.107 115.550 115.700 -0.071 0.000 2.370 42 S HA -0.269 4.196 4.470 -0.009 0.000 0.226 42 S C 2.097 176.578 174.600 -0.198 0.000 1.033 42 S CA 1.805 59.948 58.200 -0.096 0.000 1.011 42 S CB -0.105 63.020 63.200 -0.126 0.000 0.852 42 S HN 0.324 nan 8.310 nan 0.000 0.457 43 K N 0.283 120.566 120.400 -0.195 0.000 2.057 43 K HA -0.037 4.277 4.320 -0.009 0.000 0.206 43 K C 2.362 178.815 176.600 -0.245 0.000 1.050 43 K CA 1.511 57.653 56.287 -0.243 0.000 0.935 43 K CB -0.505 31.882 32.500 -0.188 0.000 0.715 43 K HN 0.373 nan 8.250 nan 0.000 0.439 44 S N -0.183 115.417 115.700 -0.167 0.000 2.402 44 S HA -0.070 4.394 4.470 -0.009 0.000 0.229 44 S C 1.724 176.237 174.600 -0.145 0.000 1.021 44 S CA 1.585 59.704 58.200 -0.135 0.000 0.974 44 S CB -0.142 63.011 63.200 -0.079 0.000 0.800 44 S HN 0.392 nan 8.310 nan 0.000 0.484 45 S N 1.087 116.702 115.700 -0.141 0.000 2.387 45 S HA 0.025 4.490 4.470 -0.009 0.000 0.226 45 S C 1.868 176.294 174.600 -0.290 0.000 1.026 45 S CA 0.730 58.900 58.200 -0.050 0.000 0.972 45 S CB -0.344 62.964 63.200 0.179 0.000 0.814 45 S HN 0.564 nan 8.310 nan 0.000 0.477 46 R N 1.404 121.414 120.500 -0.817 0.000 2.115 46 R HA 0.029 4.364 4.340 -0.009 0.000 0.230 46 R C 2.065 177.966 176.300 -0.665 0.000 1.111 46 R CA 1.102 56.382 56.100 -1.367 0.000 0.976 46 R CB -0.340 29.184 30.300 -1.294 0.000 0.870 46 R HN 0.382 nan 8.270 nan 0.000 0.445 47 A N -0.558 122.024 122.820 -0.395 0.000 2.209 47 A HA 0.138 4.453 4.320 -0.009 0.000 0.212 47 A C 1.444 178.934 177.584 -0.157 0.000 1.158 47 A CA 1.090 52.983 52.037 -0.240 0.000 0.742 47 A CB -0.139 18.753 19.000 -0.179 0.000 0.790 47 A HN 0.599 nan 8.150 nan 0.000 0.472 48 G N -0.936 107.785 108.800 -0.132 0.000 2.211 48 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.201 48 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.201 48 G C 0.160 175.053 174.900 -0.011 0.000 0.997 48 G CA 0.083 45.158 45.100 -0.041 0.000 0.652 48 G HN 0.536 nan 8.290 nan 0.000 0.500 49 N N 1.354 120.036 118.700 -0.029 0.000 2.400 49 N HA 0.145 4.880 4.740 -0.009 0.000 0.278 49 N C 0.776 176.300 175.510 0.023 0.000 1.247 49 N CA 0.667 53.711 53.050 -0.010 0.000 0.970 49 N CB 0.508 38.980 38.487 -0.026 0.000 1.312 49 N HN 0.350 nan 8.380 nan 0.000 0.488 50 D N 2.666 123.087 120.400 0.035 0.000 2.264 50 D HA 0.001 4.635 4.640 -0.009 0.000 0.208 50 D C 1.684 178.011 176.300 0.046 0.000 0.966 50 D CA 0.990 55.023 54.000 0.055 0.000 0.864 50 D CB 0.380 41.211 40.800 0.051 0.000 0.933 50 D HN 0.669 nan 8.370 nan 0.000 0.499 51 A N 0.503 123.341 122.820 0.030 0.000 1.877 51 A HA -0.177 4.137 4.320 -0.009 0.000 0.216 51 A C 1.992 179.593 177.584 0.028 0.000 1.186 51 A CA 1.184 53.236 52.037 0.025 0.000 0.620 51 A CB -0.397 18.612 19.000 0.015 0.000 0.822 51 A HN 0.187 nan 8.150 nan 0.000 0.443 52 N N -0.726 117.988 118.700 0.024 0.000 2.396 52 N HA -0.089 4.645 4.740 -0.009 0.000 0.180 52 N C 1.755 177.292 175.510 0.046 0.000 1.028 52 N CA 0.759 53.824 53.050 0.024 0.000 0.893 52 N CB -0.367 38.123 38.487 0.005 0.000 0.967 52 N HN 0.580 nan 8.380 nan 0.000 0.440 53 R N 1.012 121.553 120.500 0.069 0.000 2.096 53 R HA -0.146 4.189 4.340 -0.009 0.000 0.235 53 R C 1.950 178.302 176.300 0.087 0.000 1.127 53 R CA 1.352 57.518 56.100 0.110 0.000 0.968 53 R CB 0.100 30.486 30.300 0.143 0.000 0.861 53 R HN 0.055 nan 8.270 nan 0.000 0.440 54 Q N 0.700 120.538 119.800 0.063 0.000 2.123 54 Q HA -0.162 4.173 4.340 -0.009 0.000 0.199 54 Q C 1.672 177.697 176.000 0.042 0.000 0.966 54 Q CA 1.879 57.711 55.803 0.049 0.000 0.845 54 Q CB -0.048 28.713 28.738 0.039 0.000 0.907 54 Q HN 0.259 nan 8.270 nan 0.000 0.439 55 E N -0.351 119.873 120.200 0.039 0.000 2.110 55 E HA -0.154 4.190 4.350 -0.009 0.000 0.193 55 E C 1.691 178.314 176.600 0.038 0.000 0.988 55 E CA 1.101 57.521 56.400 0.033 0.000 0.804 55 E CB -0.470 29.245 29.700 0.026 0.000 0.745 55 E HN 0.399 nan 8.360 nan 0.000 0.458 56 L N -0.270 120.981 121.223 0.046 0.000 2.017 56 L HA -0.076 4.259 4.340 -0.009 0.000 0.208 56 L C 2.095 179.000 176.870 0.059 0.000 1.073 56 L CA 1.426 56.296 54.840 0.050 0.000 0.745 56 L CB -0.687 41.405 42.059 0.055 0.000 0.894 56 L HN 0.245 nan 8.230 nan 0.000 0.432 57 L N -0.744 120.519 121.223 0.066 0.000 2.012 57 L HA -0.225 4.110 4.340 -0.009 0.000 0.210 57 L C 2.459 179.344 176.870 0.025 0.000 1.073 57 L CA 2.392 57.262 54.840 0.049 0.000 0.748 57 L CB -1.042 41.037 42.059 0.034 0.000 0.891 57 L HN 0.327 nan 8.230 nan 0.000 0.431 58 T N -1.733 112.837 114.554 0.027 0.000 2.674 58 T HA -0.189 4.155 4.350 -0.009 0.000 0.265 58 T C 1.770 176.489 174.700 0.031 0.000 1.039 58 T CA 1.876 63.990 62.100 0.024 0.000 1.150 58 T CB -0.426 68.456 68.868 0.025 0.000 0.864 58 T HN 0.378 nan 8.240 nan 0.000 0.427 59 T N 2.664 117.241 114.554 0.038 0.000 2.685 59 T HA -0.077 4.267 4.350 -0.009 0.000 0.268 59 T C 1.939 176.668 174.700 0.049 0.000 1.034 59 T CA 1.104 63.232 62.100 0.046 0.000 1.149 59 T CB -0.537 68.360 68.868 0.049 0.000 0.860 59 T HN 0.270 nan 8.240 nan 0.000 0.449 60 L N 0.569 121.820 121.223 0.047 0.000 2.056 60 L HA -0.099 4.235 4.340 -0.009 0.000 0.207 60 L C 2.811 179.703 176.870 0.037 0.000 1.078 60 L CA 1.304 56.172 54.840 0.048 0.000 0.749 60 L CB -0.618 41.470 42.059 0.048 0.000 0.901 60 L HN 0.334 nan 8.230 nan 0.000 0.433 61 Q N -0.263 119.551 119.800 0.023 0.000 2.369 61 Q HA -0.092 4.243 4.340 -0.009 0.000 0.206 61 Q C 1.409 177.430 176.000 0.034 0.000 0.963 61 Q CA 0.733 56.549 55.803 0.022 0.000 0.894 61 Q CB -0.088 28.653 28.738 0.006 0.000 0.965 61 Q HN 0.501 nan 8.270 nan 0.000 0.475 62 N N 0.301 119.024 118.700 0.039 0.000 2.412 62 N HA 0.061 4.795 4.740 -0.009 0.000 0.184 62 N C 0.055 175.597 175.510 0.054 0.000 1.101 62 N CA 0.271 53.348 53.050 0.045 0.000 0.881 62 N CB 0.309 38.825 38.487 0.048 0.000 0.969 62 N HN 0.214 nan 8.380 nan 0.000 0.459 63 L N 1.917 123.172 121.223 0.053 0.000 2.462 63 L HA 0.030 4.365 4.340 -0.009 0.000 0.272 63 L C 0.969 177.869 176.870 0.050 0.000 1.166 63 L CA -0.223 54.649 54.840 0.053 0.000 0.880 63 L CB 0.310 42.400 42.059 0.051 0.000 1.142 63 L HN 0.076 nan 8.230 nan 0.000 0.473 64 S N 2.130 117.862 115.700 0.053 0.000 2.592 64 S HA 0.147 4.612 4.470 -0.009 0.000 0.271 64 S C 0.982 175.605 174.600 0.039 0.000 1.326 64 S CA -0.887 57.341 58.200 0.047 0.000 1.024 64 S CB 0.946 64.178 63.200 0.053 0.000 0.921 64 S HN 0.599 nan 8.310 nan 0.000 0.527 65 N N 1.483 120.203 118.700 0.032 0.000 2.430 65 N HA -0.117 4.617 4.740 -0.009 0.000 0.186 65 N C 0.593 176.118 175.510 0.024 0.000 1.032 65 N CA 1.105 54.171 53.050 0.026 0.000 0.893 65 N CB -0.387 38.111 38.487 0.019 0.000 0.957 65 N HN 0.673 nan 8.380 nan 0.000 0.442 66 D N 0.619 121.036 120.400 0.029 0.000 2.347 66 D HA -0.033 4.601 4.640 -0.009 0.000 0.213 66 D C 1.162 177.479 176.300 0.029 0.000 0.985 66 D CA 0.535 54.553 54.000 0.029 0.000 0.879 66 D CB 0.242 41.064 40.800 0.037 0.000 0.919 66 D HN 0.500 nan 8.370 nan 0.000 0.526 67 E N 0.133 120.350 120.200 0.028 0.000 2.251 67 E HA 0.074 4.418 4.350 -0.009 0.000 0.194 67 E C 2.295 178.909 176.600 0.024 0.000 0.964 67 E CA -0.167 56.241 56.400 0.014 0.000 0.868 67 E CB 0.316 30.013 29.700 -0.005 0.000 0.828 67 E HN 0.149 nan 8.360 nan 0.000 0.481 68 L N 1.121 122.365 121.223 0.034 0.000 2.010 68 L HA -0.282 4.053 4.340 -0.009 0.000 0.219 68 L C 2.581 179.480 176.870 0.047 0.000 1.077 68 L CA 1.409 56.277 54.840 0.047 0.000 0.773 68 L CB -0.597 41.486 42.059 0.040 0.000 0.892 68 L HN 0.216 nan 8.230 nan 0.000 0.436 69 L N -0.575 120.662 121.223 0.024 0.000 1.994 69 L HA -0.160 4.174 4.340 -0.009 0.000 0.208 69 L C -0.028 176.845 176.870 0.004 0.000 1.071 69 L CA 1.755 56.597 54.840 0.004 0.000 0.745 69 L CB -1.244 40.799 42.059 -0.027 0.000 0.892 69 L HN 0.183 nan 8.230 nan 0.000 0.431 70 P HA -0.162 nan 4.420 nan 0.000 0.215 70 P C 1.892 179.275 177.300 0.138 0.000 1.157 70 P CA 1.272 64.423 63.100 0.084 0.000 0.868 70 P CB 0.062 31.828 31.700 0.110 0.000 0.788 71 V N 0.173 120.128 119.914 0.067 0.000 2.295 71 V HA -0.281 3.834 4.120 -0.009 0.000 0.246 71 V C 2.475 178.622 176.094 0.089 0.000 1.049 71 V CA 2.351 64.663 62.300 0.021 0.000 1.024 71 V CB -1.748 30.107 31.823 0.054 0.000 0.648 71 V HN 0.103 nan 8.190 nan 0.000 0.447 72 A N 0.001 122.920 122.820 0.164 0.000 1.883 72 A HA -0.255 4.060 4.320 -0.009 0.000 0.217 72 A C 2.354 180.064 177.584 0.211 0.000 1.186 72 A CA 2.011 54.186 52.037 0.229 0.000 0.624 72 A CB -0.538 18.550 19.000 0.147 0.000 0.822 72 A HN 0.532 nan 8.150 nan 0.000 0.444 73 R N -0.557 120.022 120.500 0.131 0.000 2.096 73 R HA -0.063 4.271 4.340 -0.009 0.000 0.235 73 R C 2.480 178.951 176.300 0.285 0.000 1.127 73 R CA 1.068 57.242 56.100 0.123 0.000 0.968 73 R CB -0.504 29.732 30.300 -0.108 0.000 0.861 73 R HN 0.532 nan 8.270 nan 0.000 0.440 74 A N 1.132 124.126 122.820 0.290 0.000 1.851 74 A HA -0.166 4.149 4.320 -0.009 0.000 0.216 74 A C 2.004 179.750 177.584 0.269 0.000 1.195 74 A CA 1.293 53.438 52.037 0.181 0.000 0.622 74 A CB -0.840 18.128 19.000 -0.055 0.000 0.831 74 A HN 0.244 nan 8.150 nan 0.000 0.444 75 F N -0.121 120.047 119.950 0.363 0.000 2.126 75 F HA -0.177 4.344 4.527 -0.009 0.000 0.299 75 F C 3.028 179.015 175.800 0.311 0.000 1.096 75 F CA 1.323 59.536 58.000 0.355 0.000 1.255 75 F CB -0.208 38.916 39.000 0.206 0.000 0.997 75 F HN 0.276 nan 8.300 nan 0.000 0.479 76 S N -0.503 115.438 115.700 0.402 0.000 2.382 76 S HA -0.189 4.275 4.470 -0.009 0.000 0.228 76 S C 2.112 176.843 174.600 0.219 0.000 1.027 76 S CA 1.137 59.499 58.200 0.271 0.000 0.991 76 S CB -0.180 63.135 63.200 0.192 0.000 0.823 76 S HN 0.313 nan 8.310 nan 0.000 0.469 77 Q N -0.198 119.713 119.800 0.186 0.000 2.046 77 Q HA -0.033 4.302 4.340 -0.009 0.000 0.200 77 Q C 1.910 177.919 176.000 0.015 0.000 0.975 77 Q CA 1.282 57.123 55.803 0.063 0.000 0.836 77 Q CB -0.589 28.151 28.738 0.003 0.000 0.896 77 Q HN 0.656 nan 8.270 nan 0.000 0.428 78 F N 0.799 120.828 119.950 0.131 0.000 2.126 78 F HA -0.252 4.270 4.527 -0.009 0.000 0.299 78 F C 2.303 178.096 175.800 -0.011 0.000 1.096 78 F CA 0.852 58.914 58.000 0.104 0.000 1.255 78 F CB -0.404 38.772 39.000 0.295 0.000 0.997 78 F HN 0.112 nan 8.300 nan 0.000 0.479 79 L N 0.852 122.253 121.223 0.297 0.000 2.017 79 L HA -0.244 4.091 4.340 -0.009 0.000 0.208 79 L C 2.029 178.940 176.870 0.068 0.000 1.073 79 L CA 2.002 56.936 54.840 0.157 0.000 0.745 79 L CB -1.299 40.900 42.059 0.233 0.000 0.894 79 L HN 0.109 nan 8.230 nan 0.000 0.432 80 N N -0.629 118.131 118.700 0.099 0.000 2.149 80 N HA -0.212 4.522 4.740 -0.009 0.000 0.188 80 N C 1.777 177.312 175.510 0.042 0.000 1.019 80 N CA 1.877 54.977 53.050 0.084 0.000 0.857 80 N CB -0.321 38.213 38.487 0.080 0.000 0.997 80 N HN 0.506 nan 8.380 nan 0.000 0.426 81 L N -0.558 120.662 121.223 -0.005 0.000 2.156 81 L HA 0.041 4.375 4.340 -0.009 0.000 0.208 81 L C 2.418 179.258 176.870 -0.049 0.000 1.095 81 L CA 0.890 55.714 54.840 -0.027 0.000 0.770 81 L CB -0.530 41.498 42.059 -0.052 0.000 0.914 81 L HN 0.218 nan 8.230 nan 0.000 0.439 82 A N 0.302 123.035 122.820 -0.146 0.000 1.877 82 A HA -0.229 4.085 4.320 -0.009 0.000 0.216 82 A C 2.092 179.651 177.584 -0.041 0.000 1.186 82 A CA 1.882 53.786 52.037 -0.221 0.000 0.620 82 A CB -0.592 18.097 19.000 -0.519 0.000 0.822 82 A HN 0.403 nan 8.150 nan 0.000 0.443 83 N N -0.294 118.422 118.700 0.026 0.000 2.104 83 N HA -0.123 4.611 4.740 -0.009 0.000 0.190 83 N C 1.813 177.424 175.510 0.169 0.000 1.024 83 N CA 1.997 55.125 53.050 0.131 0.000 0.853 83 N CB -0.715 37.913 38.487 0.236 0.000 1.008 83 N HN 0.524 nan 8.380 nan 0.000 0.424 84 T N 1.251 115.883 114.554 0.129 0.000 2.652 84 T HA -0.122 4.223 4.350 -0.009 0.000 0.267 84 T C 1.978 176.779 174.700 0.169 0.000 1.039 84 T CA 1.620 63.798 62.100 0.130 0.000 1.153 84 T CB -0.449 68.462 68.868 0.072 0.000 0.863 84 T HN 0.359 nan 8.240 nan 0.000 0.428 85 A N 1.432 124.334 122.820 0.137 0.000 1.908 85 A HA -0.171 4.144 4.320 -0.009 0.000 0.218 85 A C 2.314 180.061 177.584 0.272 0.000 1.181 85 A CA 1.745 53.895 52.037 0.187 0.000 0.627 85 A CB -0.585 18.481 19.000 0.110 0.000 0.818 85 A HN 0.480 nan 8.150 nan 0.000 0.445 86 E N -0.119 120.217 120.200 0.228 0.000 2.077 86 E HA -0.234 4.110 4.350 -0.009 0.000 0.193 86 E C 2.158 178.981 176.600 0.372 0.000 0.989 86 E CA 1.579 58.164 56.400 0.309 0.000 0.800 86 E CB -0.229 29.573 29.700 0.170 0.000 0.746 86 E HN 0.778 nan 8.360 nan 0.000 0.452 87 Q N -0.873 119.105 119.800 0.297 0.000 2.119 87 Q HA -0.185 4.149 4.340 -0.009 0.000 0.201 87 Q C 2.047 178.177 176.000 0.217 0.000 0.972 87 Q CA 1.450 57.413 55.803 0.267 0.000 0.847 87 Q CB -0.259 28.625 28.738 0.243 0.000 0.903 87 Q HN 0.354 nan 8.270 nan 0.000 0.433 88 Y N 0.295 120.685 120.300 0.150 0.000 2.163 88 Y HA -0.262 4.282 4.550 -0.009 0.000 0.288 88 Y C 2.205 178.165 175.900 0.100 0.000 1.136 88 Y CA 2.030 60.193 58.100 0.104 0.000 1.147 88 Y CB -0.484 38.030 38.460 0.091 0.000 0.987 88 Y HN 0.193 nan 8.280 nan 0.000 0.509 89 H N -0.395 118.608 119.070 -0.113 0.000 2.457 89 H HA -0.108 4.442 4.556 -0.009 0.000 0.297 89 H C 2.083 177.218 175.328 -0.321 0.000 1.092 89 H CA 1.883 57.801 56.048 -0.216 0.000 1.309 89 H CB -0.108 29.672 29.762 0.029 0.000 1.382 89 H HN 0.349 nan 8.280 nan 0.000 0.535 90 S N -0.105 115.496 115.700 -0.165 0.000 2.371 90 S HA -0.062 4.402 4.470 -0.009 0.000 0.224 90 S C 2.023 176.465 174.600 -0.264 0.000 1.029 90 S CA 1.215 59.294 58.200 -0.201 0.000 0.978 90 S CB -0.090 63.175 63.200 0.108 0.000 0.833 90 S HN 0.688 nan 8.310 nan 0.000 0.466 91 I N -0.313 120.121 120.570 -0.228 0.000 3.793 91 I HA 0.264 4.428 4.170 -0.009 0.000 0.315 91 I C 0.736 176.676 176.117 -0.295 0.000 1.275 91 I CA -0.242 60.937 61.300 -0.202 0.000 1.214 91 I CB -0.066 37.877 38.000 -0.096 0.000 1.018 91 I HN 0.047 nan 8.210 nan 0.000 0.439 92 S N 2.197 117.597 115.700 -0.499 0.000 2.548 92 S HA 0.306 4.770 4.470 -0.009 0.000 0.277 92 S C -1.384 173.011 174.600 -0.342 0.000 1.315 92 S CA -0.963 56.922 58.200 -0.526 0.000 1.050 92 S CB 1.061 63.768 63.200 -0.821 0.000 0.918 92 S HN -0.001 nan 8.310 nan 0.000 0.497 93 P HA -0.027 nan 4.420 nan 0.000 0.217 93 P C 0.607 177.805 177.300 -0.171 0.000 1.150 93 P CA 1.313 64.319 63.100 -0.158 0.000 0.832 93 P CB 0.119 31.764 31.700 -0.091 0.000 0.787 94 K N -1.156 119.146 120.400 -0.164 0.000 2.459 94 K HA 0.101 4.416 4.320 -0.009 0.000 0.193 94 K C 1.657 178.120 176.600 -0.227 0.000 1.030 94 K CA 0.566 56.769 56.287 -0.139 0.000 1.026 94 K CB -0.248 32.216 32.500 -0.061 0.000 0.809 94 K HN 0.172 nan 8.250 nan 0.000 0.504 95 G N 0.850 109.406 108.800 -0.406 0.000 3.226 95 G HA2 -0.032 3.922 3.960 -0.009 0.000 0.190 95 G HA3 -0.032 3.922 3.960 -0.009 0.000 0.190 95 G C 0.750 175.263 174.900 -0.645 0.000 1.988 95 G CA -0.188 44.447 45.100 -0.775 0.000 0.859 95 G HN -0.013 nan 8.290 nan 0.000 0.631 96 E N 0.221 119.987 120.200 -0.725 0.000 2.431 96 E HA 0.300 4.645 4.350 -0.009 0.000 0.200 96 E C 1.253 177.650 176.600 -0.339 0.000 0.995 96 E CA 0.553 56.630 56.400 -0.538 0.000 0.915 96 E CB 0.569 29.840 29.700 -0.715 0.000 0.930 96 E HN 0.680 nan 8.360 nan 0.000 0.496 97 A N 1.137 123.766 122.820 -0.319 0.000 2.610 97 A HA -0.247 4.067 4.320 -0.009 0.000 0.299 97 A C 1.593 179.081 177.584 -0.160 0.000 1.487 97 A CA 0.864 52.774 52.037 -0.211 0.000 0.743 97 A CB -1.933 16.966 19.000 -0.168 0.000 1.070 97 A HN 0.302 nan 8.150 nan 0.000 0.439 98 A N 0.507 123.232 122.820 -0.157 0.000 1.933 98 A HA 0.090 4.404 4.320 -0.009 0.000 0.218 98 A C 2.186 179.726 177.584 -0.074 0.000 1.175 98 A CA 2.155 54.130 52.037 -0.104 0.000 0.628 98 A CB -0.662 18.291 19.000 -0.078 0.000 0.814 98 A HN 2.165 nan 8.150 nan 0.000 0.444 99 S N -0.593 115.068 115.700 -0.065 0.000 2.710 99 S HA 0.070 4.535 4.470 -0.009 0.000 0.224 99 S C 0.261 174.845 174.600 -0.025 0.000 0.948 99 S CA -0.222 57.959 58.200 -0.031 0.000 0.949 99 S CB -0.972 62.219 63.200 -0.015 0.000 0.778 99 S HN 0.589 nan 8.310 nan 0.000 0.498 100 N N 2.249 120.921 118.700 -0.046 0.000 2.452 100 N HA 0.167 4.901 4.740 -0.009 0.000 0.266 100 N C -2.012 173.484 175.510 -0.023 0.000 1.175 100 N CA -1.716 51.309 53.050 -0.041 0.000 0.945 100 N CB 0.932 39.382 38.487 -0.061 0.000 1.063 100 N HN -0.007 nan 8.380 nan 0.000 0.472 101 P HA -0.170 nan 4.420 nan 0.000 0.222 101 P C 0.699 177.995 177.300 -0.006 0.000 1.142 101 P CA 0.844 63.945 63.100 0.002 0.000 0.788 101 P CB 0.226 31.925 31.700 -0.001 0.000 0.767 102 E N -0.107 120.081 120.200 -0.019 0.000 2.160 102 E HA -0.157 4.187 4.350 -0.009 0.000 0.195 102 E C 1.706 178.291 176.600 -0.025 0.000 0.991 102 E CA 1.077 57.462 56.400 -0.024 0.000 0.810 102 E CB -1.176 28.503 29.700 -0.034 0.000 0.742 102 E HN -0.024 nan 8.360 nan 0.000 0.466 103 V N 0.709 120.604 119.914 -0.031 0.000 2.380 103 V HA -0.288 3.826 4.120 -0.009 0.000 0.251 103 V C 2.340 178.423 176.094 -0.019 0.000 1.063 103 V CA 2.005 64.279 62.300 -0.043 0.000 1.055 103 V CB -0.476 31.319 31.823 -0.048 0.000 0.657 103 V HN 0.347 nan 8.190 nan 0.000 0.455 104 I N -0.052 120.524 120.570 0.011 0.000 2.339 104 I HA -0.090 4.075 4.170 -0.009 0.000 0.245 104 I C 2.682 178.811 176.117 0.021 0.000 1.096 104 I CA 1.111 62.432 61.300 0.035 0.000 1.408 104 I CB -0.610 37.422 38.000 0.052 0.000 1.092 104 I HN 0.260 nan 8.210 nan 0.000 0.423 105 A N 1.116 123.939 122.820 0.005 0.000 1.908 105 A HA -0.234 4.080 4.320 -0.009 0.000 0.218 105 A C 2.371 179.957 177.584 0.003 0.000 1.181 105 A CA 1.582 53.619 52.037 -0.001 0.000 0.627 105 A CB -0.659 18.336 19.000 -0.008 0.000 0.818 105 A HN 0.308 nan 8.150 nan 0.000 0.445 106 R N -1.059 119.440 120.500 -0.002 0.000 2.117 106 R HA -0.119 4.215 4.340 -0.009 0.000 0.243 106 R C 2.223 178.533 176.300 0.018 0.000 1.143 106 R CA 1.890 57.989 56.100 -0.000 0.000 0.968 106 R CB -0.673 29.616 30.300 -0.018 0.000 0.863 106 R HN 0.588 nan 8.270 nan 0.000 0.444 107 T N 1.421 115.992 114.554 0.030 0.000 2.770 107 T HA -0.027 4.318 4.350 -0.009 0.000 0.263 107 T C 1.932 176.664 174.700 0.054 0.000 1.039 107 T CA 0.865 63.001 62.100 0.061 0.000 1.142 107 T CB -0.139 68.785 68.868 0.094 0.000 0.868 107 T HN 0.110 nan 8.240 nan 0.000 0.435 108 L N 0.535 121.782 121.223 0.040 0.000 2.013 108 L HA -0.149 4.186 4.340 -0.009 0.000 0.212 108 L C 2.920 179.806 176.870 0.027 0.000 1.073 108 L CA 1.550 56.408 54.840 0.029 0.000 0.753 108 L CB -0.580 41.482 42.059 0.005 0.000 0.890 108 L HN 0.157 nan 8.230 nan 0.000 0.432 109 R N 0.105 120.618 120.500 0.021 0.000 2.096 109 R HA -0.200 4.134 4.340 -0.009 0.000 0.235 109 R C 2.371 178.688 176.300 0.030 0.000 1.127 109 R CA 1.432 57.545 56.100 0.021 0.000 0.968 109 R CB -0.227 30.081 30.300 0.014 0.000 0.861 109 R HN 0.299 nan 8.270 nan 0.000 0.440 110 K N 1.022 121.444 120.400 0.036 0.000 2.097 110 K HA -0.120 4.195 4.320 -0.009 0.000 0.206 110 K C 1.899 178.528 176.600 0.048 0.000 1.049 110 K CA 1.143 57.456 56.287 0.044 0.000 0.933 110 K CB 0.014 32.547 32.500 0.054 0.000 0.717 110 K HN 0.145 nan 8.250 nan 0.000 0.442 111 L N 0.434 121.688 121.223 0.051 0.000 2.217 111 L HA -0.090 4.245 4.340 -0.009 0.000 0.211 111 L C 2.371 179.270 176.870 0.049 0.000 1.107 111 L CA 0.924 55.796 54.840 0.054 0.000 0.783 111 L CB -0.253 41.842 42.059 0.060 0.000 0.919 111 L HN 0.124 nan 8.230 nan 0.000 0.442 112 K N 0.434 120.860 120.400 0.043 0.000 2.155 112 K HA -0.069 4.246 4.320 -0.009 0.000 0.203 112 K C 1.441 178.063 176.600 0.037 0.000 1.052 112 K CA 1.038 57.350 56.287 0.041 0.000 0.948 112 K CB -0.107 32.414 32.500 0.036 0.000 0.728 112 K HN 0.455 nan 8.250 nan 0.000 0.448 113 N N 0.743 119.463 118.700 0.035 0.000 2.521 113 N HA -0.056 4.678 4.740 -0.009 0.000 0.188 113 N C -0.276 175.254 175.510 0.034 0.000 1.146 113 N CA 0.010 53.078 53.050 0.032 0.000 0.893 113 N CB 0.308 38.813 38.487 0.029 0.000 0.975 113 N HN 0.097 nan 8.380 nan 0.000 0.451 114 Q N 1.239 121.062 119.800 0.038 0.000 2.314 114 Q HA 0.115 4.449 4.340 -0.009 0.000 0.257 114 Q C -1.498 174.523 176.000 0.035 0.000 0.975 114 Q CA -1.616 54.210 55.803 0.038 0.000 0.933 114 Q CB 1.359 30.123 28.738 0.044 0.000 1.195 114 Q HN 0.206 nan 8.270 nan 0.000 0.426 115 P HA -0.181 nan 4.420 nan 0.000 0.215 115 P C 0.178 177.495 177.300 0.028 0.000 1.157 115 P CA 1.327 64.444 63.100 0.028 0.000 0.863 115 P CB 0.488 32.203 31.700 0.025 0.000 0.787 116 E N -0.131 120.087 120.200 0.029 0.000 2.338 116 E HA -0.023 4.321 4.350 -0.009 0.000 0.197 116 E C 0.751 177.369 176.600 0.030 0.000 1.007 116 E CA 0.404 56.821 56.400 0.028 0.000 0.849 116 E CB -0.702 29.016 29.700 0.030 0.000 0.774 116 E HN 0.332 nan 8.360 nan 0.000 0.506 117 L N 1.897 123.141 121.223 0.034 0.000 2.260 117 L HA 0.249 4.584 4.340 -0.009 0.000 0.289 117 L C 0.076 176.969 176.870 0.037 0.000 1.057 117 L CA -0.795 54.068 54.840 0.038 0.000 0.811 117 L CB 0.989 43.075 42.059 0.045 0.000 1.184 117 L HN 0.014 nan 8.230 nan 0.000 0.429 118 S N 0.808 116.528 115.700 0.033 0.000 2.541 118 S HA 0.243 4.707 4.470 -0.009 0.000 0.283 118 S C 0.737 175.360 174.600 0.038 0.000 1.196 118 S CA -0.788 57.430 58.200 0.030 0.000 1.062 118 S CB 1.949 65.161 63.200 0.020 0.000 1.009 118 S HN 0.582 nan 8.310 nan 0.000 0.502 119 E N 1.661 121.887 120.200 0.044 0.000 2.233 119 E HA -0.180 4.165 4.350 -0.009 0.000 0.199 119 E C 1.161 177.785 176.600 0.040 0.000 1.004 119 E CA 1.711 58.149 56.400 0.064 0.000 0.819 119 E CB -0.304 29.437 29.700 0.069 0.000 0.738 119 E HN 0.899 nan 8.360 nan 0.000 0.478 120 D N -1.591 118.815 120.400 0.010 0.000 2.123 120 D HA -0.096 4.539 4.640 -0.009 0.000 0.200 120 D C 1.865 178.164 176.300 -0.001 0.000 0.976 120 D CA 1.547 55.538 54.000 -0.016 0.000 0.831 120 D CB -0.094 40.694 40.800 -0.020 0.000 0.974 120 D HN 0.134 nan 8.370 nan 0.000 0.469 121 T N -1.037 113.527 114.554 0.016 0.000 2.995 121 T HA -0.003 4.341 4.350 -0.009 0.000 0.269 121 T C 1.878 176.602 174.700 0.040 0.000 1.091 121 T CA 0.627 62.740 62.100 0.022 0.000 1.128 121 T CB -0.217 68.666 68.868 0.025 0.000 0.891 121 T HN 0.140 nan 8.240 nan 0.000 0.492 122 I N 0.072 120.677 120.570 0.059 0.000 2.333 122 I HA 0.006 4.171 4.170 -0.009 0.000 0.246 122 I C 2.617 178.803 176.117 0.116 0.000 1.106 122 I CA 0.904 62.257 61.300 0.088 0.000 1.411 122 I CB -0.279 37.785 38.000 0.106 0.000 1.082 122 I HN 0.178 nan 8.210 nan 0.000 0.420 123 K N 1.426 121.894 120.400 0.113 0.000 2.097 123 K HA -0.230 4.084 4.320 -0.009 0.000 0.206 123 K C 2.194 178.818 176.600 0.040 0.000 1.049 123 K CA 1.452 57.805 56.287 0.110 0.000 0.933 123 K CB 0.045 32.492 32.500 -0.090 0.000 0.717 123 K HN 0.103 nan 8.250 nan 0.000 0.442 124 K N -0.270 120.136 120.400 0.009 0.000 2.155 124 K HA -0.033 4.281 4.320 -0.009 0.000 0.203 124 K C 1.858 178.465 176.600 0.011 0.000 1.052 124 K CA 0.845 57.123 56.287 -0.014 0.000 0.948 124 K CB 0.015 32.504 32.500 -0.017 0.000 0.728 124 K HN 0.174 nan 8.250 nan 0.000 0.448 125 A N 0.564 123.411 122.820 0.044 0.000 1.930 125 A HA -0.094 4.221 4.320 -0.009 0.000 0.217 125 A C 2.126 179.761 177.584 0.086 0.000 1.175 125 A CA 1.300 53.374 52.037 0.062 0.000 0.627 125 A CB -0.455 18.588 19.000 0.071 0.000 0.815 125 A HN 0.142 nan 8.150 nan 0.000 0.443 126 V N 0.138 120.113 119.914 0.101 0.000 2.427 126 V HA -0.221 3.894 4.120 -0.009 0.000 0.248 126 V C 2.212 178.378 176.094 0.119 0.000 1.051 126 V CA 2.119 64.503 62.300 0.141 0.000 1.048 126 V CB -0.757 31.167 31.823 0.169 0.000 0.666 126 V HN 0.642 nan 8.190 nan 0.000 0.456 127 E N -0.149 120.030 120.200 -0.035 0.000 2.347 127 E HA -0.077 4.267 4.350 -0.009 0.000 0.196 127 E C 1.920 178.413 176.600 -0.177 0.000 1.008 127 E CA 0.986 57.194 56.400 -0.319 0.000 0.852 127 E CB -0.006 29.517 29.700 -0.294 0.000 0.783 127 E HN 0.466 nan 8.360 nan 0.000 0.505 128 S N 0.524 116.242 115.700 0.030 0.000 2.540 128 S HA 0.098 4.563 4.470 -0.009 0.000 0.218 128 S C 0.309 175.017 174.600 0.180 0.000 0.977 128 S CA -0.425 57.830 58.200 0.092 0.000 0.918 128 S CB 0.171 63.400 63.200 0.049 0.000 0.806 128 S HN 0.098 nan 8.310 nan 0.000 0.496 129 L N 2.786 124.171 121.223 0.271 0.000 2.525 129 L HA 0.252 4.587 4.340 -0.009 0.000 0.278 129 L C 0.165 177.145 176.870 0.182 0.000 1.218 129 L CA 0.757 55.737 54.840 0.233 0.000 0.878 129 L CB 0.714 42.938 42.059 0.274 0.000 1.127 129 L HN 0.052 nan 8.230 nan 0.000 0.492 130 S N 4.906 120.655 115.700 0.081 0.000 2.652 130 S HA 0.672 5.137 4.470 -0.009 0.000 0.273 130 S C -1.418 173.161 174.600 -0.035 0.000 1.172 130 S CA -0.685 57.521 58.200 0.009 0.000 1.009 130 S CB 0.344 63.554 63.200 0.016 0.000 1.094 130 S HN 0.418 nan 8.310 nan 0.000 0.471 131 L N 3.774 124.950 121.223 -0.079 0.000 2.362 131 L HA 0.688 5.023 4.340 -0.009 0.000 0.275 131 L C -0.120 176.624 176.870 -0.210 0.000 0.998 131 L CA -0.177 54.584 54.840 -0.132 0.000 0.820 131 L CB 1.869 43.863 42.059 -0.109 0.000 1.270 131 L HN 0.709 nan 8.230 nan 0.000 0.415 132 E N 3.505 123.562 120.200 -0.239 0.000 2.283 132 E HA 0.456 4.800 4.350 -0.009 0.000 0.258 132 E C -1.667 174.739 176.600 -0.323 0.000 0.893 132 E CA -0.633 55.592 56.400 -0.292 0.000 0.798 132 E CB 1.189 30.757 29.700 -0.220 0.000 1.242 132 E HN 0.354 nan 8.360 nan 0.000 0.414 133 L N 4.393 125.298 121.223 -0.530 0.000 2.282 133 L HA 0.448 4.782 4.340 -0.009 0.000 0.288 133 L C -0.285 176.442 176.870 -0.238 0.000 1.033 133 L CA -0.919 53.666 54.840 -0.424 0.000 0.807 133 L CB 1.209 42.874 42.059 -0.657 0.000 1.209 133 L HN 0.373 nan 8.230 nan 0.000 0.423 134 V N 4.989 124.861 119.914 -0.069 0.000 2.328 134 V HA 0.352 4.466 4.120 -0.009 0.000 0.278 134 V C 0.487 176.572 176.094 -0.014 0.000 1.021 134 V CA -0.643 61.645 62.300 -0.019 0.000 0.838 134 V CB 1.437 33.239 31.823 -0.034 0.000 0.999 134 V HN 0.506 nan 8.190 nan 0.000 0.447 135 L N 5.305 126.584 121.223 0.094 0.000 2.416 135 L HA 0.476 4.810 4.340 -0.009 0.000 0.272 135 L C 0.809 177.756 176.870 0.127 0.000 1.161 135 L CA 0.235 55.156 54.840 0.135 0.000 0.845 135 L CB 0.823 42.987 42.059 0.176 0.000 1.119 135 L HN 0.795 nan 8.230 nan 0.000 0.464 136 T N -0.118 114.526 114.554 0.149 0.000 2.924 136 T HA 0.747 5.091 4.350 -0.009 0.000 0.291 136 T C -0.013 174.838 174.700 0.253 0.000 1.045 136 T CA -0.848 61.348 62.100 0.161 0.000 1.015 136 T CB 1.816 70.692 68.868 0.014 0.000 1.103 136 T HN 0.667 nan 8.240 nan 0.000 0.496 137 A N 1.429 124.364 122.820 0.192 0.000 2.448 137 A HA 0.294 4.608 4.320 -0.009 0.000 0.239 137 A C 0.305 177.842 177.584 -0.079 0.000 1.080 137 A CA -0.230 51.838 52.037 0.053 0.000 0.779 137 A CB -0.370 18.642 19.000 0.020 0.000 1.026 137 A HN 0.983 nan 8.150 nan 0.000 0.499 138 H N 3.416 122.176 119.070 -0.516 0.000 2.705 138 H HA 0.265 4.815 4.556 -0.009 0.000 0.291 138 H C -1.580 173.578 175.328 -0.283 0.000 1.085 138 H CA -2.104 53.681 56.048 -0.438 0.000 1.357 138 H CB 1.187 30.451 29.762 -0.829 0.000 1.419 138 H HN 0.395 nan 8.280 nan 0.000 0.462 139 P HA -0.100 nan 4.420 nan 0.000 0.219 139 P C 0.333 177.665 177.300 0.052 0.000 1.146 139 P CA 0.964 64.033 63.100 -0.052 0.000 0.808 139 P CB 0.304 31.775 31.700 -0.382 0.000 0.779 140 T N -2.898 111.851 114.554 0.325 0.000 3.630 140 T HA 0.379 4.723 4.350 -0.009 0.000 0.238 140 T C -0.411 174.191 174.700 -0.164 0.000 1.195 140 T CA -0.625 61.565 62.100 0.151 0.000 1.433 140 T CB -0.123 68.942 68.868 0.329 0.000 0.940 140 T HN -0.144 nan 8.240 nan 0.000 0.641 141 E N 2.266 122.232 120.200 -0.390 0.000 2.014 141 E HA 0.409 4.753 4.350 -0.009 0.000 0.275 141 E C 0.943 177.398 176.600 -0.241 0.000 0.997 141 E CA -0.829 55.256 56.400 -0.526 0.000 0.804 141 E CB 0.208 29.501 29.700 -0.678 0.000 1.090 141 E HN 0.716 nan 8.360 nan 0.000 0.401 142 I N 1.157 121.635 120.570 -0.154 0.000 3.860 142 I HA 0.182 4.347 4.170 -0.009 0.000 0.319 142 I C 0.476 176.552 176.117 -0.068 0.000 1.279 142 I CA -0.330 60.918 61.300 -0.087 0.000 1.220 142 I CB -0.077 37.895 38.000 -0.047 0.000 1.027 142 I HN 0.315 nan 8.210 nan 0.000 0.428 143 T N -1.057 113.456 114.554 -0.069 0.000 2.869 143 T HA 0.240 4.584 4.350 -0.009 0.000 0.295 143 T C 0.957 175.643 174.700 -0.024 0.000 0.987 143 T CA -0.556 61.524 62.100 -0.034 0.000 1.109 143 T CB 2.136 70.999 68.868 -0.007 0.000 0.932 143 T HN 0.325 nan 8.240 nan 0.000 0.518 144 R N 1.529 122.021 120.500 -0.013 0.000 2.120 144 R HA -0.038 4.296 4.340 -0.009 0.000 0.234 144 R C 0.905 177.215 176.300 0.017 0.000 1.123 144 R CA 0.839 56.935 56.100 -0.006 0.000 0.975 144 R CB 0.114 30.409 30.300 -0.007 0.000 0.866 144 R HN 0.848 nan 8.270 nan 0.000 0.446 145 R N -0.694 119.828 120.500 0.038 0.000 2.837 145 R HA 0.271 4.605 4.340 -0.009 0.000 0.271 145 R C -0.997 175.369 176.300 0.111 0.000 0.993 145 R CA -0.662 55.478 56.100 0.068 0.000 0.931 145 R CB 1.101 31.439 30.300 0.063 0.000 1.206 145 R HN -0.076 nan 8.270 nan 0.000 0.474 146 T N -0.167 114.478 114.554 0.150 0.000 2.901 146 T HA 0.256 4.601 4.350 -0.009 0.000 0.301 146 T C 0.596 175.437 174.700 0.235 0.000 1.012 146 T CA -0.649 61.578 62.100 0.212 0.000 1.135 146 T CB 0.484 69.473 68.868 0.202 0.000 0.936 146 T HN 0.567 nan 8.240 nan 0.000 0.539 147 L N 3.490 124.842 121.223 0.215 0.000 3.066 147 L HA 0.388 4.722 4.340 -0.009 0.000 0.265 147 L C 1.877 178.810 176.870 0.105 0.000 1.232 147 L CA -0.230 54.710 54.840 0.167 0.000 1.031 147 L CB -0.118 41.980 42.059 0.064 0.000 1.379 147 L HN 0.765 nan 8.230 nan 0.000 0.563 148 I N 0.499 121.182 120.570 0.188 0.000 2.226 148 I HA -0.307 3.857 4.170 -0.009 0.000 0.245 148 I C 2.793 178.964 176.117 0.091 0.000 1.100 148 I CA 1.556 62.917 61.300 0.102 0.000 1.374 148 I CB -0.008 38.020 38.000 0.046 0.000 1.057 148 I HN 0.524 nan 8.210 nan 0.000 0.413 149 H N 0.916 119.981 119.070 -0.008 0.000 2.387 149 H HA -0.161 4.389 4.556 -0.009 0.000 0.299 149 H C 1.725 177.054 175.328 0.000 0.000 1.099 149 H CA 1.148 57.190 56.048 -0.010 0.000 1.315 149 H CB -0.839 28.914 29.762 -0.014 0.000 1.380 149 H HN 0.302 nan 8.280 nan 0.000 0.513 150 K N 0.670 120.699 120.400 -0.619 0.000 2.057 150 K HA -0.036 4.279 4.320 -0.009 0.000 0.207 150 K C 2.466 178.972 176.600 -0.157 0.000 1.049 150 K CA 1.215 57.261 56.287 -0.402 0.000 0.931 150 K CB -0.284 31.978 32.500 -0.397 0.000 0.714 150 K HN 0.393 nan 8.250 nan 0.000 0.440 151 M N 0.560 120.101 119.600 -0.099 0.000 2.279 151 M HA -0.130 4.345 4.480 -0.009 0.000 0.264 151 M C 2.122 178.414 176.300 -0.012 0.000 1.062 151 M CA 0.956 56.236 55.300 -0.034 0.000 1.099 151 M CB -0.200 32.396 32.600 -0.006 0.000 1.394 151 M HN -0.163 nan 8.290 nan 0.000 0.426 152 V N 0.045 119.953 119.914 -0.010 0.000 2.515 152 V HA -0.224 3.890 4.120 -0.009 0.000 0.250 152 V C 2.142 178.237 176.094 0.001 0.000 1.058 152 V CA 1.794 64.102 62.300 0.013 0.000 1.064 152 V CB -0.579 31.260 31.823 0.027 0.000 0.675 152 V HN 0.497 nan 8.190 nan 0.000 0.461 153 E N -0.117 120.069 120.200 -0.023 0.000 2.112 153 E HA -0.120 4.224 4.350 -0.009 0.000 0.190 153 E C 2.196 178.773 176.600 -0.039 0.000 0.979 153 E CA 0.904 57.287 56.400 -0.028 0.000 0.814 153 E CB 0.169 29.845 29.700 -0.039 0.000 0.762 153 E HN 0.419 nan 8.360 nan 0.000 0.460 154 V N 1.690 121.578 119.914 -0.044 0.000 2.490 154 V HA -0.250 3.865 4.120 -0.009 0.000 0.250 154 V C 2.158 178.217 176.094 -0.058 0.000 1.061 154 V CA 1.965 64.235 62.300 -0.051 0.000 1.064 154 V CB -0.730 31.069 31.823 -0.039 0.000 0.670 154 V HN 0.333 nan 8.190 nan 0.000 0.461 155 N N 0.750 119.436 118.700 -0.024 0.000 2.142 155 N HA -0.120 4.615 4.740 -0.009 0.000 0.186 155 N C 1.777 177.259 175.510 -0.047 0.000 1.023 155 N CA 1.545 54.592 53.050 -0.004 0.000 0.852 155 N CB -0.324 38.208 38.487 0.075 0.000 0.998 155 N HN 0.371 nan 8.380 nan 0.000 0.424 156 A N -0.095 122.710 122.820 -0.025 0.000 1.940 156 A HA -0.154 4.160 4.320 -0.009 0.000 0.219 156 A C 2.586 180.125 177.584 -0.076 0.000 1.176 156 A CA 1.531 53.551 52.037 -0.028 0.000 0.631 156 A CB -1.209 17.783 19.000 -0.014 0.000 0.814 156 A HN 0.589 nan 8.150 nan 0.000 0.446 157 C N -0.906 118.335 119.300 -0.098 0.000 2.440 157 C HA -0.013 4.442 4.460 -0.009 0.000 0.278 157 C C 2.624 177.499 174.990 -0.192 0.000 1.295 157 C CA 0.931 59.874 59.018 -0.124 0.000 1.738 157 C CB -1.434 26.239 27.740 -0.113 0.000 1.987 157 C HN 0.630 nan 8.230 nan 0.000 0.492 158 L N 0.714 121.768 121.223 -0.282 0.000 2.093 158 L HA -0.144 4.191 4.340 -0.009 0.000 0.208 158 L C 2.690 179.196 176.870 -0.607 0.000 1.085 158 L CA 1.464 55.997 54.840 -0.511 0.000 0.755 158 L CB -0.701 40.891 42.059 -0.779 0.000 0.904 158 L HN 0.384 nan 8.230 nan 0.000 0.435 159 K N 0.175 120.328 120.400 -0.412 0.000 2.057 159 K HA -0.222 4.093 4.320 -0.009 0.000 0.207 159 K C 2.114 178.693 176.600 -0.034 0.000 1.049 159 K CA 1.483 57.727 56.287 -0.072 0.000 0.931 159 K CB 0.045 32.607 32.500 0.103 0.000 0.714 159 K HN 0.335 nan 8.250 nan 0.000 0.440 160 Q N 0.219 119.976 119.800 -0.073 0.000 2.123 160 Q HA -0.041 4.293 4.340 -0.009 0.000 0.199 160 Q C 2.098 178.062 176.000 -0.061 0.000 0.966 160 Q CA 1.033 56.804 55.803 -0.052 0.000 0.845 160 Q CB 0.108 28.809 28.738 -0.060 0.000 0.907 160 Q HN 0.315 nan 8.270 nan 0.000 0.439 161 L N 0.264 121.426 121.223 -0.103 0.000 2.291 161 L HA -0.095 4.240 4.340 -0.009 0.000 0.214 161 L C 0.662 177.519 176.870 -0.022 0.000 1.120 161 L CA 0.343 55.132 54.840 -0.086 0.000 0.799 161 L CB 0.056 42.026 42.059 -0.148 0.000 0.925 161 L HN 0.121 nan 8.230 nan 0.000 0.446 162 D N 1.573 121.960 120.400 -0.022 0.000 2.767 162 D HA 0.013 4.648 4.640 -0.009 0.000 0.231 162 D C -0.136 176.201 176.300 0.062 0.000 1.105 162 D CA 0.156 54.191 54.000 0.058 0.000 1.024 162 D CB -0.259 40.642 40.800 0.167 0.000 1.123 162 D HN 0.165 nan 8.370 nan 0.000 0.470 163 N N 1.675 120.402 118.700 0.044 0.000 2.554 163 N HA 0.033 4.768 4.740 -0.009 0.000 0.271 163 N C -0.669 174.857 175.510 0.027 0.000 1.081 163 N CA -0.708 52.361 53.050 0.033 0.000 0.994 163 N CB 1.075 39.574 38.487 0.020 0.000 1.641 163 N HN 0.070 nan 8.380 nan 0.000 0.511 164 K N 2.047 122.459 120.400 0.020 0.000 2.233 164 K HA 0.226 4.541 4.320 -0.009 0.000 0.239 164 K C -0.106 176.495 176.600 0.003 0.000 1.064 164 K CA -0.113 56.181 56.287 0.011 0.000 0.884 164 K CB 0.432 32.937 32.500 0.008 0.000 1.166 164 K HN 0.459 nan 8.250 nan 0.000 0.512 165 D N -0.901 119.497 120.400 -0.003 0.000 3.070 165 D HA -0.218 4.416 4.640 -0.009 0.000 0.220 165 D C -0.331 175.958 176.300 -0.018 0.000 1.176 165 D CA 1.089 55.085 54.000 -0.007 0.000 0.924 165 D CB -0.812 39.986 40.800 -0.003 0.000 1.124 165 D HN 0.590 nan 8.370 nan 0.000 0.411 166 I N 0.439 120.997 120.570 -0.020 0.000 2.441 166 I HA 0.301 4.465 4.170 -0.009 0.000 0.287 166 I C 0.828 176.901 176.117 -0.073 0.000 1.049 166 I CA -0.380 60.897 61.300 -0.038 0.000 1.381 166 I CB 0.882 38.882 38.000 0.000 0.000 1.409 166 I HN 0.040 nan 8.210 nan 0.000 0.523 167 A N 5.320 128.044 122.820 -0.159 0.000 2.520 167 A HA 0.024 4.339 4.320 -0.009 0.000 0.235 167 A C 0.673 178.118 177.584 -0.232 0.000 1.065 167 A CA 0.135 52.005 52.037 -0.278 0.000 0.764 167 A CB 0.066 18.643 19.000 -0.704 0.000 1.002 167 A HN 0.891 nan 8.150 nan 0.000 0.502 168 D N -0.114 120.221 120.400 -0.107 0.000 2.097 168 D HA -0.179 4.456 4.640 -0.009 0.000 0.195 168 D C 1.471 177.797 176.300 0.045 0.000 0.989 168 D CA 2.609 56.610 54.000 0.003 0.000 0.827 168 D CB -0.385 40.467 40.800 0.086 0.000 0.966 168 D HN 0.866 nan 8.370 nan 0.000 0.456 169 Y N -0.060 120.264 120.300 0.041 0.000 2.509 169 Y HA 0.204 4.748 4.550 -0.009 0.000 0.293 169 Y C 1.912 177.841 175.900 0.047 0.000 1.133 169 Y CA 0.337 58.461 58.100 0.041 0.000 1.283 169 Y CB -0.401 38.074 38.460 0.024 0.000 1.001 169 Y HN -0.066 nan 8.280 nan 0.000 0.555 170 E N -0.094 119.851 120.200 -0.426 0.000 2.076 170 E HA -0.197 4.148 4.350 -0.009 0.000 0.190 170 E C 2.111 178.661 176.600 -0.085 0.000 0.979 170 E CA 0.653 56.889 56.400 -0.274 0.000 0.807 170 E CB -0.268 29.204 29.700 -0.381 0.000 0.761 170 E HN 0.598 nan 8.360 nan 0.000 0.454 171 H N 0.916 119.905 119.070 -0.136 0.000 2.389 171 H HA -0.087 4.463 4.556 -0.009 0.000 0.299 171 H C 1.905 177.209 175.328 -0.040 0.000 1.081 171 H CA 1.343 57.346 56.048 -0.075 0.000 1.345 171 H CB 0.017 29.741 29.762 -0.063 0.000 1.393 171 H HN 0.168 nan 8.280 nan 0.000 0.520 172 N N 0.823 119.621 118.700 0.163 0.000 2.223 172 N HA -0.144 4.591 4.740 -0.009 0.000 0.185 172 N C 1.789 177.319 175.510 0.033 0.000 1.016 172 N CA 1.049 54.173 53.050 0.124 0.000 0.863 172 N CB 0.026 38.591 38.487 0.130 0.000 0.983 172 N HN 0.558 nan 8.380 nan 0.000 0.429 173 Q N 0.089 119.898 119.800 0.016 0.000 2.083 173 Q HA 0.042 4.377 4.340 -0.009 0.000 0.198 173 Q C 2.301 178.275 176.000 -0.044 0.000 0.969 173 Q CA 0.822 56.625 55.803 0.001 0.000 0.838 173 Q CB 0.131 28.880 28.738 0.018 0.000 0.900 173 Q HN 0.373 nan 8.270 nan 0.000 0.436 174 L N -0.248 120.918 121.223 -0.095 0.000 2.093 174 L HA -0.161 4.173 4.340 -0.009 0.000 0.208 174 L C 2.339 179.122 176.870 -0.144 0.000 1.085 174 L CA 0.574 55.336 54.840 -0.130 0.000 0.755 174 L CB -0.283 41.665 42.059 -0.186 0.000 0.904 174 L HN 0.339 nan 8.230 nan 0.000 0.435 175 M N -0.560 118.931 119.600 -0.181 0.000 2.159 175 M HA -0.193 4.281 4.480 -0.009 0.000 0.263 175 M C 2.352 178.612 176.300 -0.066 0.000 1.063 175 M CA 1.531 56.748 55.300 -0.139 0.000 1.110 175 M CB -1.156 31.372 32.600 -0.120 0.000 1.374 175 M HN 0.223 nan 8.290 nan 0.000 0.411 176 R N -0.008 120.467 120.500 -0.042 0.000 2.081 176 R HA -0.193 4.142 4.340 -0.009 0.000 0.235 176 R C 2.312 178.599 176.300 -0.023 0.000 1.131 176 R CA 1.620 57.709 56.100 -0.019 0.000 0.960 176 R CB -0.091 30.206 30.300 -0.004 0.000 0.856 176 R HN 0.074 nan 8.270 nan 0.000 0.436 177 R N 0.681 121.160 120.500 -0.034 0.000 2.073 177 R HA -0.075 4.260 4.340 -0.009 0.000 0.229 177 R C 2.093 178.371 176.300 -0.038 0.000 1.120 177 R CA 1.237 57.318 56.100 -0.031 0.000 0.967 177 R CB -0.915 29.363 30.300 -0.036 0.000 0.862 177 R HN 0.314 nan 8.270 nan 0.000 0.436 178 L N 0.769 121.958 121.223 -0.056 0.000 2.083 178 L HA -0.064 4.271 4.340 -0.009 0.000 0.209 178 L C 2.021 178.866 176.870 -0.042 0.000 1.083 178 L CA 1.796 56.600 54.840 -0.059 0.000 0.752 178 L CB -0.337 41.672 42.059 -0.082 0.000 0.899 178 L HN 0.131 nan 8.230 nan 0.000 0.433 179 R N -1.151 119.329 120.500 -0.034 0.000 2.115 179 R HA -0.144 4.190 4.340 -0.009 0.000 0.230 179 R C 2.186 178.483 176.300 -0.004 0.000 1.111 179 R CA 1.608 57.695 56.100 -0.022 0.000 0.976 179 R CB -0.274 30.017 30.300 -0.016 0.000 0.870 179 R HN 0.578 nan 8.270 nan 0.000 0.445 180 Q N 0.004 119.803 119.800 -0.001 0.000 2.083 180 Q HA -0.102 4.233 4.340 -0.009 0.000 0.198 180 Q C 1.914 177.924 176.000 0.018 0.000 0.969 180 Q CA 0.767 56.579 55.803 0.015 0.000 0.838 180 Q CB -0.032 28.711 28.738 0.008 0.000 0.900 180 Q HN 0.135 nan 8.270 nan 0.000 0.436 181 L N 0.827 122.049 121.223 -0.003 0.000 2.042 181 L HA -0.194 4.141 4.340 -0.009 0.000 0.210 181 L C 2.131 179.001 176.870 0.000 0.000 1.076 181 L CA 1.537 56.370 54.840 -0.011 0.000 0.749 181 L CB -0.673 41.367 42.059 -0.032 0.000 0.893 181 L HN 0.274 nan 8.230 nan 0.000 0.432 182 I N -0.710 119.857 120.570 -0.005 0.000 2.202 182 I HA -0.213 3.952 4.170 -0.009 0.000 0.242 182 I C 2.640 178.785 176.117 0.047 0.000 1.091 182 I CA 1.404 62.702 61.300 -0.004 0.000 1.368 182 I CB -1.734 36.241 38.000 -0.043 0.000 1.058 182 I HN 0.196 nan 8.210 nan 0.000 0.410 183 A N 0.332 123.191 122.820 0.067 0.000 1.940 183 A HA -0.259 4.056 4.320 -0.009 0.000 0.219 183 A C 2.280 180.006 177.584 0.237 0.000 1.176 183 A CA 1.647 53.783 52.037 0.165 0.000 0.631 183 A CB -0.685 18.410 19.000 0.159 0.000 0.814 183 A HN 0.510 nan 8.150 nan 0.000 0.446 184 Q N -0.460 119.424 119.800 0.140 0.000 2.084 184 Q HA -0.119 4.215 4.340 -0.009 0.000 0.202 184 Q C 2.413 178.472 176.000 0.099 0.000 0.978 184 Q CA 1.797 57.670 55.803 0.117 0.000 0.844 184 Q CB -0.193 28.578 28.738 0.055 0.000 0.898 184 Q HN 0.644 nan 8.270 nan 0.000 0.426 185 S N -0.141 115.604 115.700 0.075 0.000 2.419 185 S HA -0.136 4.328 4.470 -0.009 0.000 0.233 185 S C 1.083 175.718 174.600 0.058 0.000 1.016 185 S CA 0.663 58.893 58.200 0.050 0.000 0.974 185 S CB -0.235 62.989 63.200 0.040 0.000 0.786 185 S HN 0.543 nan 8.310 nan 0.000 0.492 186 W N 1.420 122.655 121.300 -0.109 0.000 2.523 186 W HA -0.003 4.652 4.660 -0.009 0.000 0.278 186 W C 1.359 177.714 176.519 -0.273 0.000 1.236 186 W CA 0.862 58.076 57.345 -0.219 0.000 1.306 186 W CB -0.165 29.103 29.460 -0.320 0.000 1.101 186 W HN 0.424 nan 8.180 nan 0.000 0.577 187 H N -0.801 118.255 119.070 -0.023 0.000 2.582 187 H HA 0.125 4.676 4.556 -0.009 0.000 0.269 187 H C 0.261 175.529 175.328 -0.099 0.000 0.962 187 H CA 0.877 56.870 56.048 -0.092 0.000 1.230 187 H CB 0.109 29.893 29.762 0.037 0.000 1.445 187 H HN -0.191 nan 8.280 nan 0.000 0.528 188 T N 2.145 116.722 114.554 0.039 0.000 3.471 188 T HA 0.137 4.482 4.350 -0.009 0.000 0.355 188 T C -0.523 174.155 174.700 -0.036 0.000 1.775 188 T CA -0.222 61.884 62.100 0.010 0.000 1.305 188 T CB 0.019 68.909 68.868 0.036 0.000 1.171 188 T HN 0.116 nan 8.240 nan 0.000 0.776 189 D N 2.176 122.525 120.400 -0.085 0.000 2.473 189 D HA 0.426 5.060 4.640 -0.009 0.000 0.253 189 D C -0.381 175.868 176.300 -0.084 0.000 1.233 189 D CA -0.251 53.690 54.000 -0.100 0.000 0.908 189 D CB 0.858 41.550 40.800 -0.181 0.000 1.170 189 D HN 0.442 nan 8.370 nan 0.000 0.558 190 E N 4.924 125.093 120.200 -0.050 0.000 2.173 190 E HA 0.328 4.672 4.350 -0.009 0.000 0.249 190 E C 0.166 176.742 176.600 -0.040 0.000 0.923 190 E CA -0.666 55.708 56.400 -0.042 0.000 0.754 190 E CB 0.188 29.873 29.700 -0.024 0.000 1.177 190 E HN 0.419 nan 8.360 nan 0.000 0.430 191 I N 2.026 122.567 120.570 -0.049 0.000 2.710 191 I HA 0.065 4.229 4.170 -0.009 0.000 0.286 191 I C 1.160 177.254 176.117 -0.037 0.000 1.181 191 I CA -0.216 61.058 61.300 -0.043 0.000 1.430 191 I CB 0.392 38.365 38.000 -0.044 0.000 1.367 191 I HN 0.552 nan 8.210 nan 0.000 0.577 192 R N 4.653 125.130 120.500 -0.038 0.000 2.522 192 R HA -0.043 4.291 4.340 -0.009 0.000 0.284 192 R C 0.720 177.000 176.300 -0.032 0.000 1.032 192 R CA -0.144 55.934 56.100 -0.036 0.000 1.049 192 R CB 0.688 30.962 30.300 -0.043 0.000 0.956 192 R HN 0.407 nan 8.270 nan 0.000 0.422 193 K N 1.921 122.304 120.400 -0.030 0.000 2.242 193 K HA 0.173 4.487 4.320 -0.009 0.000 0.200 193 K C 0.312 176.895 176.600 -0.028 0.000 1.050 193 K CA 0.886 57.157 56.287 -0.027 0.000 0.981 193 K CB 0.430 32.915 32.500 -0.025 0.000 0.795 193 K HN 0.396 nan 8.250 nan 0.000 0.477 194 L N 0.380 121.586 121.223 -0.029 0.000 2.303 194 L HA 0.468 4.803 4.340 -0.009 0.000 0.266 194 L C -0.031 176.819 176.870 -0.034 0.000 1.011 194 L CA -1.341 53.481 54.840 -0.030 0.000 0.818 194 L CB 1.706 43.748 42.059 -0.028 0.000 1.326 194 L HN -0.081 nan 8.230 nan 0.000 0.435 195 R N 2.655 123.135 120.500 -0.034 0.000 2.489 195 R HA 0.176 4.511 4.340 -0.009 0.000 0.287 195 R C -2.234 174.043 176.300 -0.039 0.000 1.053 195 R CA -1.151 54.927 56.100 -0.038 0.000 1.036 195 R CB 0.554 30.833 30.300 -0.035 0.000 0.966 195 R HN 0.295 nan 8.270 nan 0.000 0.432 196 P HA -0.009 nan 4.420 nan 0.000 0.269 196 P C -0.816 176.464 177.300 -0.035 0.000 1.209 196 P CA -0.164 62.910 63.100 -0.044 0.000 0.776 196 P CB 1.245 32.906 31.700 -0.065 0.000 0.876 197 S N 2.123 117.809 115.700 -0.024 0.000 2.672 197 S HA 0.396 4.861 4.470 -0.009 0.000 0.276 197 S C -1.811 172.786 174.600 -0.006 0.000 1.207 197 S CA -1.400 56.790 58.200 -0.017 0.000 1.002 197 S CB 0.830 64.021 63.200 -0.015 0.000 0.998 197 S HN 0.171 nan 8.310 nan 0.000 0.542 198 P HA -0.091 nan 4.420 nan 0.000 0.216 198 P C 1.484 178.802 177.300 0.030 0.000 1.150 198 P CA 0.778 63.890 63.100 0.019 0.000 0.843 198 P CB -0.115 31.601 31.700 0.025 0.000 0.787 199 V N 0.192 120.134 119.914 0.046 0.000 2.490 199 V HA -0.228 3.887 4.120 -0.009 0.000 0.250 199 V C 1.920 178.033 176.094 0.031 0.000 1.061 199 V CA 1.970 64.315 62.300 0.074 0.000 1.064 199 V CB -1.099 30.807 31.823 0.138 0.000 0.670 199 V HN 0.153 nan 8.190 nan 0.000 0.461 200 D N -0.075 120.337 120.400 0.020 0.000 2.123 200 D HA -0.129 4.505 4.640 -0.009 0.000 0.200 200 D C 2.194 178.511 176.300 0.029 0.000 0.976 200 D CA 1.150 55.162 54.000 0.019 0.000 0.831 200 D CB -0.089 40.714 40.800 0.005 0.000 0.974 200 D HN 0.565 nan 8.370 nan 0.000 0.469 201 E N 0.979 121.188 120.200 0.014 0.000 2.110 201 E HA -0.108 4.236 4.350 -0.009 0.000 0.193 201 E C 2.103 178.748 176.600 0.074 0.000 0.988 201 E CA 0.839 57.269 56.400 0.050 0.000 0.804 201 E CB -0.007 29.703 29.700 0.017 0.000 0.745 201 E HN 0.160 nan 8.360 nan 0.000 0.458 202 A N 1.806 124.582 122.820 -0.073 0.000 1.902 202 A HA -0.209 4.105 4.320 -0.009 0.000 0.217 202 A C 1.985 179.052 177.584 -0.862 0.000 1.181 202 A CA 1.435 53.256 52.037 -0.360 0.000 0.623 202 A CB -0.258 18.578 19.000 -0.274 0.000 0.818 202 A HN 0.033 nan 8.150 nan 0.000 0.443 203 K N -1.802 118.327 120.400 -0.451 0.000 2.097 203 K HA -0.195 4.120 4.320 -0.009 0.000 0.206 203 K C 1.726 178.279 176.600 -0.077 0.000 1.049 203 K CA 1.485 57.624 56.287 -0.247 0.000 0.933 203 K CB -0.271 32.255 32.500 0.044 0.000 0.717 203 K HN 0.729 nan 8.250 nan 0.000 0.442 204 W N 1.288 122.488 121.300 -0.167 0.000 2.338 204 W HA -0.145 4.509 4.660 -0.010 0.000 0.304 204 W C 1.894 178.377 176.519 -0.060 0.000 1.212 204 W CA 2.008 59.312 57.345 -0.068 0.000 1.264 204 W CB -0.668 28.769 29.460 -0.038 0.000 1.142 204 W HN 0.065 nan 8.180 nan 0.000 0.512 205 G N -0.209 108.525 108.800 -0.109 0.000 2.422 205 G HA2 -0.273 3.681 3.960 -0.009 0.000 0.218 205 G HA3 -0.273 3.681 3.960 -0.009 0.000 0.218 205 G C 1.544 176.374 174.900 -0.117 0.000 1.146 205 G CA 0.985 45.939 45.100 -0.243 0.000 0.769 205 G HN 0.425 nan 8.290 nan 0.000 0.547 206 F N 1.421 121.332 119.950 -0.065 0.000 2.171 206 F HA -0.038 4.484 4.527 -0.010 0.000 0.300 206 F C 3.152 178.853 175.800 -0.165 0.000 1.090 206 F CA 0.303 58.252 58.000 -0.084 0.000 1.293 206 F CB -0.015 38.975 39.000 -0.016 0.000 1.013 206 F HN 0.250 nan 8.300 nan 0.000 0.486 207 A N 0.104 122.919 122.820 -0.009 0.000 1.972 207 A HA -0.123 4.191 4.320 -0.009 0.000 0.219 207 A C 2.246 179.719 177.584 -0.185 0.000 1.169 207 A CA 1.582 53.554 52.037 -0.108 0.000 0.635 207 A CB -1.070 17.857 19.000 -0.122 0.000 0.810 207 A HN 0.197 nan 8.150 nan 0.000 0.446 208 V N -0.375 119.358 119.914 -0.302 0.000 2.427 208 V HA -0.203 3.911 4.120 -0.009 0.000 0.248 208 V C 2.568 178.545 176.094 -0.195 0.000 1.051 208 V CA 1.829 63.952 62.300 -0.294 0.000 1.048 208 V CB -0.657 30.902 31.823 -0.440 0.000 0.666 208 V HN 0.389 nan 8.190 nan 0.000 0.456 209 V N 1.400 121.213 119.914 -0.169 0.000 2.261 209 V HA -0.295 3.819 4.120 -0.009 0.000 0.246 209 V C 2.503 178.497 176.094 -0.167 0.000 1.047 209 V CA 2.486 64.683 62.300 -0.171 0.000 1.015 209 V CB -0.919 30.821 31.823 -0.139 0.000 0.642 209 V HN 0.852 nan 8.190 nan 0.000 0.446 210 E N 0.167 120.241 120.200 -0.211 0.000 2.208 210 E HA -0.162 4.183 4.350 -0.009 0.000 0.193 210 E C 1.681 178.200 176.600 -0.134 0.000 0.988 210 E CA 1.264 57.502 56.400 -0.269 0.000 0.828 210 E CB -0.341 29.124 29.700 -0.393 0.000 0.763 210 E HN 0.545 nan 8.360 nan 0.000 0.478 211 N N -0.113 118.531 118.700 -0.094 0.000 2.422 211 N HA 0.011 4.746 4.740 -0.009 0.000 0.181 211 N C 1.045 176.555 175.510 -0.001 0.000 1.080 211 N CA 0.962 53.990 53.050 -0.037 0.000 0.893 211 N CB 1.055 39.531 38.487 -0.018 0.000 0.973 211 N HN 0.222 nan 8.380 nan 0.000 0.456 212 S N -0.909 114.788 115.700 -0.004 0.000 3.364 212 S HA 0.253 4.717 4.470 -0.009 0.000 0.257 212 S C 1.440 176.069 174.600 0.049 0.000 1.098 212 S CA -0.367 57.852 58.200 0.031 0.000 0.888 212 S CB -0.394 62.826 63.200 0.034 0.000 0.925 212 S HN 0.006 nan 8.310 nan 0.000 0.442 213 L N 1.026 122.243 121.223 -0.009 0.000 2.156 213 L HA 0.042 4.376 4.340 -0.009 0.000 0.208 213 L C 2.360 179.296 176.870 0.109 0.000 1.095 213 L CA 1.126 55.965 54.840 -0.002 0.000 0.770 213 L CB -0.509 41.423 42.059 -0.212 0.000 0.914 213 L HN 0.544 nan 8.230 nan 0.000 0.439 214 W N 1.519 122.689 121.300 -0.217 0.000 2.338 214 W HA -0.246 4.409 4.660 -0.010 0.000 0.304 214 W C 2.224 178.699 176.519 -0.073 0.000 1.212 214 W CA 1.836 59.017 57.345 -0.274 0.000 1.264 214 W CB 0.055 29.304 29.460 -0.353 0.000 1.142 214 W HN 0.321 nan 8.180 nan 0.000 0.512 215 Q N -1.222 118.638 119.800 0.102 0.000 2.259 215 Q HA 0.028 4.362 4.340 -0.009 0.000 0.201 215 Q C 2.523 178.563 176.000 0.067 0.000 0.938 215 Q CA 1.067 56.905 55.803 0.057 0.000 0.872 215 Q CB -0.772 28.019 28.738 0.088 0.000 0.971 215 Q HN 0.207 nan 8.270 nan 0.000 0.494 216 G N 0.699 109.560 108.800 0.102 0.000 2.446 216 G HA2 -0.250 3.704 3.960 -0.009 0.000 0.217 216 G HA3 -0.250 3.704 3.960 -0.009 0.000 0.217 216 G C 1.494 176.509 174.900 0.192 0.000 1.168 216 G CA 1.113 46.297 45.100 0.140 0.000 0.771 216 G HN 0.191 nan 8.290 nan 0.000 0.551 217 V N 1.959 121.997 119.914 0.207 0.000 2.261 217 V HA -0.106 4.008 4.120 -0.009 0.000 0.246 217 V C 0.365 176.582 176.094 0.205 0.000 1.047 217 V CA 2.233 64.695 62.300 0.271 0.000 1.015 217 V CB -1.117 30.851 31.823 0.242 0.000 0.642 217 V HN 0.288 nan 8.190 nan 0.000 0.446 218 P HA -0.079 nan 4.420 nan 0.000 0.217 218 P C 1.282 178.601 177.300 0.032 0.000 1.150 218 P CA 1.238 64.349 63.100 0.019 0.000 0.832 218 P CB -0.101 31.570 31.700 -0.049 0.000 0.787 219 N N -1.385 117.357 118.700 0.069 0.000 2.188 219 N HA -0.179 4.555 4.740 -0.009 0.000 0.184 219 N C 1.732 177.299 175.510 0.094 0.000 1.018 219 N CA 1.083 54.174 53.050 0.069 0.000 0.858 219 N CB -1.115 37.420 38.487 0.081 0.000 0.989 219 N HN 0.317 nan 8.380 nan 0.000 0.426 220 Y N 1.457 121.781 120.300 0.040 0.000 2.200 220 Y HA -0.030 4.514 4.550 -0.009 0.000 0.290 220 Y C 2.095 178.014 175.900 0.033 0.000 1.137 220 Y CA 1.225 59.351 58.100 0.044 0.000 1.163 220 Y CB -0.472 38.031 38.460 0.072 0.000 0.988 220 Y HN -0.079 nan 8.280 nan 0.000 0.518 221 L N 0.302 121.273 121.223 -0.420 0.000 2.131 221 L HA -0.180 4.154 4.340 -0.009 0.000 0.210 221 L C 2.705 179.427 176.870 -0.248 0.000 1.092 221 L CA 1.573 56.127 54.840 -0.478 0.000 0.759 221 L CB -0.488 41.440 42.059 -0.217 0.000 0.903 221 L HN 0.207 nan 8.230 nan 0.000 0.435 222 R N 0.360 120.783 120.500 -0.128 0.000 2.070 222 R HA -0.157 4.177 4.340 -0.009 0.000 0.233 222 R C 2.210 178.467 176.300 -0.071 0.000 1.137 222 R CA 1.400 57.460 56.100 -0.066 0.000 0.945 222 R CB -0.182 30.104 30.300 -0.024 0.000 0.845 222 R HN 0.179 nan 8.270 nan 0.000 0.430 223 E N 0.549 120.708 120.200 -0.069 0.000 2.110 223 E HA -0.172 4.173 4.350 -0.009 0.000 0.193 223 E C 1.935 178.488 176.600 -0.077 0.000 0.988 223 E CA 1.025 57.397 56.400 -0.046 0.000 0.804 223 E CB -0.527 29.174 29.700 0.000 0.000 0.745 223 E HN 0.283 nan 8.360 nan 0.000 0.458 224 L N 1.904 123.025 121.223 -0.170 0.000 1.971 224 L HA -0.221 4.113 4.340 -0.009 0.000 0.215 224 L C 1.691 178.499 176.870 -0.104 0.000 1.072 224 L CA 1.975 56.715 54.840 -0.167 0.000 0.758 224 L CB -0.792 41.054 42.059 -0.356 0.000 0.889 224 L HN 0.088 nan 8.230 nan 0.000 0.433 225 N N -0.897 117.742 118.700 -0.102 0.000 2.069 225 N HA -0.265 4.469 4.740 -0.009 0.000 0.191 225 N C 1.817 177.296 175.510 -0.051 0.000 1.031 225 N CA 1.423 54.440 53.050 -0.055 0.000 0.852 225 N CB -0.135 38.337 38.487 -0.025 0.000 1.018 225 N HN 0.506 nan 8.380 nan 0.000 0.423 226 E N 0.680 120.854 120.200 -0.044 0.000 2.085 226 E HA -0.218 4.127 4.350 -0.009 0.000 0.194 226 E C 1.846 178.421 176.600 -0.043 0.000 0.994 226 E CA 1.100 57.480 56.400 -0.033 0.000 0.801 226 E CB 0.225 29.911 29.700 -0.024 0.000 0.743 226 E HN 0.296 nan 8.360 nan 0.000 0.453 227 Q N -0.079 119.693 119.800 -0.048 0.000 2.172 227 Q HA -0.079 4.256 4.340 -0.009 0.000 0.200 227 Q C 2.370 178.321 176.000 -0.081 0.000 0.964 227 Q CA 0.666 56.440 55.803 -0.048 0.000 0.855 227 Q CB -0.071 28.649 28.738 -0.031 0.000 0.918 227 Q HN 0.405 nan 8.270 nan 0.000 0.444 228 L N 0.449 121.604 121.223 -0.112 0.000 1.994 228 L HA -0.198 4.136 4.340 -0.009 0.000 0.208 228 L C 2.520 179.228 176.870 -0.271 0.000 1.071 228 L CA 1.429 56.139 54.840 -0.216 0.000 0.745 228 L CB -0.378 41.543 42.059 -0.230 0.000 0.892 228 L HN 0.272 nan 8.230 nan 0.000 0.431 229 E N 0.061 120.158 120.200 -0.173 0.000 2.077 229 E HA -0.294 4.051 4.350 -0.009 0.000 0.193 229 E C 2.093 178.649 176.600 -0.073 0.000 0.989 229 E CA 1.403 57.736 56.400 -0.112 0.000 0.800 229 E CB 0.062 29.740 29.700 -0.037 0.000 0.746 229 E HN 0.402 nan 8.360 nan 0.000 0.452 230 E N -0.356 119.808 120.200 -0.060 0.000 2.106 230 E HA -0.182 4.162 4.350 -0.009 0.000 0.192 230 E C 1.306 177.884 176.600 -0.037 0.000 0.984 230 E CA 1.441 57.819 56.400 -0.036 0.000 0.806 230 E CB 0.131 29.814 29.700 -0.028 0.000 0.750 230 E HN 0.236 nan 8.360 nan 0.000 0.458 231 N N -0.843 117.821 118.700 -0.060 0.000 2.482 231 N HA 0.108 4.842 4.740 -0.009 0.000 0.179 231 N C 1.450 176.928 175.510 -0.053 0.000 1.039 231 N CA 0.367 53.389 53.050 -0.046 0.000 0.884 231 N CB 0.352 38.815 38.487 -0.041 0.000 1.113 231 N HN 0.068 nan 8.380 nan 0.000 0.440 232 L N -1.241 119.900 121.223 -0.136 0.000 2.408 232 L HA 0.347 4.682 4.340 -0.009 0.000 0.215 232 L C 0.658 177.503 176.870 -0.042 0.000 1.081 232 L CA 0.414 55.168 54.840 -0.145 0.000 0.840 232 L CB 0.108 41.909 42.059 -0.430 0.000 1.002 232 L HN 0.307 nan 8.230 nan 0.000 0.468 233 G N 0.269 109.012 108.800 -0.096 0.000 2.141 233 G HA2 -0.257 3.697 3.960 -0.009 0.000 0.195 233 G HA3 -0.257 3.697 3.960 -0.009 0.000 0.195 233 G C -0.280 174.763 174.900 0.238 0.000 1.012 233 G CA 0.029 45.181 45.100 0.087 0.000 0.696 233 G HN 0.429 nan 8.290 nan 0.000 0.508 234 Y N -3.053 117.260 120.300 0.021 0.000 2.661 234 Y HA 0.701 5.245 4.550 -0.009 0.000 0.339 234 Y C -0.630 175.288 175.900 0.030 0.000 1.186 234 Y CA -1.812 56.303 58.100 0.024 0.000 1.137 234 Y CB 0.443 38.915 38.460 0.019 0.000 1.354 234 Y HN 0.119 nan 8.280 nan 0.000 0.469 235 K N 2.416 122.918 120.400 0.171 0.000 2.185 235 K HA 0.693 5.008 4.320 -0.009 0.000 0.240 235 K C -0.996 175.717 176.600 0.188 0.000 0.983 235 K CA -0.999 55.353 56.287 0.109 0.000 0.873 235 K CB 1.923 34.476 32.500 0.088 0.000 1.118 235 K HN 0.645 nan 8.250 nan 0.000 0.441 236 L N 2.532 123.854 121.223 0.165 0.000 2.395 236 L HA 0.298 4.633 4.340 -0.009 0.000 0.269 236 L C -2.041 174.944 176.870 0.192 0.000 1.133 236 L CA -2.110 52.855 54.840 0.207 0.000 0.812 236 L CB 0.472 42.721 42.059 0.317 0.000 1.125 236 L HN 0.321 nan 8.230 nan 0.000 0.452 237 P HA -0.050 nan 4.420 nan 0.000 0.266 237 P C 0.890 178.316 177.300 0.209 0.000 1.193 237 P CA -0.212 62.993 63.100 0.175 0.000 0.770 237 P CB 0.621 32.399 31.700 0.130 0.000 0.836 238 V N 2.398 122.435 119.914 0.204 0.000 2.392 238 V HA -0.261 3.853 4.120 -0.009 0.000 0.249 238 V C 1.677 177.925 176.094 0.258 0.000 1.059 238 V CA 2.037 64.439 62.300 0.171 0.000 1.051 238 V CB -1.150 30.718 31.823 0.076 0.000 0.658 238 V HN 0.624 nan 8.190 nan 0.000 0.455 239 E N -0.731 119.622 120.200 0.255 0.000 2.418 239 E HA -0.070 4.275 4.350 -0.009 0.000 0.197 239 E C 0.633 177.265 176.600 0.053 0.000 1.026 239 E CA 0.173 56.641 56.400 0.113 0.000 0.862 239 E CB -0.182 29.484 29.700 -0.056 0.000 0.799 239 E HN 0.542 nan 8.360 nan 0.000 0.518 240 F N 1.362 121.299 119.950 -0.022 0.000 2.404 240 F HA 0.244 4.765 4.527 -0.010 0.000 0.359 240 F C -0.600 175.186 175.800 -0.023 0.000 1.134 240 F CA -1.343 56.633 58.000 -0.040 0.000 1.160 240 F CB 0.543 39.539 39.000 -0.008 0.000 1.186 240 F HN -0.340 nan 8.300 nan 0.000 0.526 241 V N 9.546 129.189 119.914 -0.453 0.000 2.289 241 V HA 0.238 4.353 4.120 -0.009 0.000 0.272 241 V C -1.538 174.221 176.094 -0.558 0.000 1.026 241 V CA -1.002 61.052 62.300 -0.411 0.000 0.807 241 V CB 1.148 32.858 31.823 -0.189 0.000 1.044 241 V HN 0.612 nan 8.190 nan 0.000 0.443 242 P HA 0.038 nan 4.420 nan 0.000 0.247 242 P C 0.040 177.214 177.300 -0.211 0.000 1.225 242 P CA 0.485 63.276 63.100 -0.515 0.000 0.768 242 P CB 0.428 31.841 31.700 -0.479 0.000 1.020 243 V N 0.795 120.610 119.914 -0.165 0.000 2.555 243 V HA 0.502 4.617 4.120 -0.009 0.000 0.302 243 V C 0.298 176.279 176.094 -0.189 0.000 1.038 243 V CA -0.718 61.506 62.300 -0.127 0.000 0.887 243 V CB 2.552 34.382 31.823 0.012 0.000 0.991 243 V HN -0.024 nan 8.190 nan 0.000 0.434 244 R N 2.669 123.017 120.500 -0.253 0.000 2.651 244 R HA 0.568 4.902 4.340 -0.009 0.000 0.278 244 R C -1.963 174.148 176.300 -0.316 0.000 1.010 244 R CA -0.513 55.450 56.100 -0.230 0.000 0.896 244 R CB 2.668 32.863 30.300 -0.176 0.000 1.211 244 R HN 0.596 nan 8.270 nan 0.000 0.456 245 F N 0.354 120.179 119.950 -0.209 0.000 2.482 245 F HA 0.457 4.979 4.527 -0.009 0.000 0.331 245 F C 0.409 176.204 175.800 -0.007 0.000 1.115 245 F CA -0.077 57.860 58.000 -0.105 0.000 0.955 245 F CB 2.403 41.357 39.000 -0.076 0.000 1.136 245 F HN 0.268 nan 8.300 nan 0.000 0.452 246 T N 1.020 115.672 114.554 0.163 0.000 2.907 246 T HA 0.639 4.983 4.350 -0.009 0.000 0.290 246 T C -1.099 173.735 174.700 0.223 0.000 1.066 246 T CA -0.897 61.304 62.100 0.169 0.000 1.012 246 T CB 1.989 70.909 68.868 0.087 0.000 1.184 246 T HN 0.493 nan 8.240 nan 0.000 0.522 247 S N -1.151 114.710 115.700 0.268 0.000 2.588 247 S HA 0.542 5.006 4.470 -0.009 0.000 0.275 247 S C -1.241 173.635 174.600 0.460 0.000 1.130 247 S CA -0.565 57.816 58.200 0.302 0.000 0.855 247 S CB 1.033 64.399 63.200 0.277 0.000 1.116 247 S HN 0.734 nan 8.310 nan 0.000 0.472 248 W N 1.430 122.816 121.300 0.144 0.000 3.058 248 W HA 0.447 5.102 4.660 -0.008 0.000 0.306 248 W C 0.059 176.631 176.519 0.088 0.000 1.188 248 W CA -0.635 56.779 57.345 0.114 0.000 1.651 248 W CB -0.436 29.097 29.460 0.121 0.000 1.051 248 W HN 0.473 nan 8.180 nan 0.000 0.592 249 M N 0.919 120.703 119.600 0.307 0.000 2.427 249 M HA 0.320 4.794 4.480 -0.009 0.000 0.345 249 M C 1.400 177.779 176.300 0.132 0.000 1.653 249 M CA 1.783 57.192 55.300 0.183 0.000 1.138 249 M CB -0.161 32.520 32.600 0.136 0.000 1.995 249 M HN 0.236 nan 8.290 nan 0.000 0.459 250 G N 1.880 110.736 108.800 0.093 0.000 2.194 250 G HA2 -0.213 3.741 3.960 -0.009 0.000 0.236 250 G HA3 -0.213 3.741 3.960 -0.009 0.000 0.236 250 G C 0.732 175.656 174.900 0.041 0.000 0.987 250 G CA 0.132 45.275 45.100 0.072 0.000 0.635 250 G HN 0.949 nan 8.290 nan 0.000 0.520 251 G N -0.381 108.433 108.800 0.024 0.000 2.798 251 G HA2 0.352 4.307 3.960 -0.009 0.000 0.200 251 G HA3 0.352 4.307 3.960 -0.009 0.000 0.200 251 G C 0.267 175.045 174.900 -0.203 0.000 1.092 251 G CA 0.988 46.046 45.100 -0.071 0.000 0.800 251 G HN 0.544 nan 8.290 nan 0.000 0.566 252 D N 1.212 121.480 120.400 -0.220 0.000 2.338 252 D HA 0.148 4.782 4.640 -0.009 0.000 0.255 252 D C 1.361 177.556 176.300 -0.175 0.000 1.237 252 D CA -0.395 53.401 54.000 -0.341 0.000 0.883 252 D CB 0.487 41.103 40.800 -0.306 0.000 1.087 252 D HN 0.379 nan 8.370 nan 0.000 0.485 253 R N 2.425 122.813 120.500 -0.186 0.000 2.577 253 R HA 0.154 4.488 4.340 -0.009 0.000 0.344 253 R C -0.291 175.946 176.300 -0.105 0.000 1.037 253 R CA -0.605 55.427 56.100 -0.113 0.000 1.102 253 R CB -0.074 30.168 30.300 -0.097 0.000 1.313 253 R HN 0.189 nan 8.270 nan 0.000 0.561 254 D N 1.874 122.197 120.400 -0.128 0.000 2.389 254 D HA 0.093 4.728 4.640 -0.009 0.000 0.263 254 D C 1.013 177.279 176.300 -0.057 0.000 1.255 254 D CA 1.539 55.480 54.000 -0.098 0.000 0.914 254 D CB 0.475 41.212 40.800 -0.105 0.000 1.116 254 D HN 0.500 nan 8.370 nan 0.000 0.502 255 G N 4.228 112.998 108.800 -0.051 0.000 2.203 255 G HA2 -0.339 3.615 3.960 -0.009 0.000 0.263 255 G HA3 -0.339 3.615 3.960 -0.009 0.000 0.263 255 G C 0.396 175.278 174.900 -0.030 0.000 1.012 255 G CA 0.456 45.535 45.100 -0.035 0.000 0.749 255 G HN 0.709 nan 8.290 nan 0.000 0.512 256 N N -0.084 118.594 118.700 -0.038 0.000 2.716 256 N HA 0.470 5.205 4.740 -0.009 0.000 0.253 256 N C -1.559 173.930 175.510 -0.035 0.000 1.170 256 N CA -1.930 51.101 53.050 -0.031 0.000 0.807 256 N CB 1.277 39.748 38.487 -0.026 0.000 1.183 256 N HN -0.067 nan 8.380 nan 0.000 0.524 257 P HA -0.080 nan 4.420 nan 0.000 0.221 257 P C 0.536 177.817 177.300 -0.032 0.000 1.145 257 P CA 0.850 63.929 63.100 -0.034 0.000 0.795 257 P CB 0.224 31.904 31.700 -0.033 0.000 0.775 258 N N -0.923 117.760 118.700 -0.028 0.000 2.512 258 N HA -0.026 4.708 4.740 -0.009 0.000 0.183 258 N C 0.081 175.578 175.510 -0.022 0.000 1.073 258 N CA 0.601 53.636 53.050 -0.026 0.000 0.911 258 N CB -0.025 38.447 38.487 -0.024 0.000 0.964 258 N HN 0.075 nan 8.380 nan 0.000 0.447 259 V N 2.580 122.481 119.914 -0.023 0.000 2.284 259 V HA 0.115 4.229 4.120 -0.009 0.000 0.260 259 V C 0.707 176.787 176.094 -0.022 0.000 1.084 259 V CA -0.428 61.861 62.300 -0.019 0.000 0.894 259 V CB 0.195 32.003 31.823 -0.025 0.000 1.119 259 V HN 0.182 nan 8.190 nan 0.000 0.484 260 T N 1.517 116.062 114.554 -0.016 0.000 2.897 260 T HA 0.624 4.969 4.350 -0.009 0.000 0.278 260 T C 1.462 176.160 174.700 -0.003 0.000 0.981 260 T CA 0.031 62.122 62.100 -0.015 0.000 0.973 260 T CB 1.916 70.772 68.868 -0.020 0.000 1.092 260 T HN 0.466 nan 8.240 nan 0.000 0.543 261 A N 0.571 123.391 122.820 0.001 0.000 1.978 261 A HA -0.094 4.220 4.320 -0.009 0.000 0.220 261 A C 2.000 179.599 177.584 0.026 0.000 1.170 261 A CA 1.744 53.790 52.037 0.015 0.000 0.636 261 A CB -1.027 17.983 19.000 0.017 0.000 0.810 261 A HN 0.911 nan 8.150 nan 0.000 0.448 262 D N -0.270 120.139 120.400 0.015 0.000 2.117 262 D HA -0.098 4.537 4.640 -0.009 0.000 0.198 262 D C 1.775 178.103 176.300 0.046 0.000 0.982 262 D CA 1.100 55.113 54.000 0.021 0.000 0.828 262 D CB -0.305 40.490 40.800 -0.009 0.000 0.967 262 D HN 0.369 nan 8.370 nan 0.000 0.464 263 I N 1.318 121.908 120.570 0.032 0.000 2.163 263 I HA -0.239 3.926 4.170 -0.009 0.000 0.243 263 I C 2.450 178.632 176.117 0.109 0.000 1.085 263 I CA 1.326 62.664 61.300 0.064 0.000 1.347 263 I CB -0.729 37.291 38.000 0.032 0.000 1.044 263 I HN -0.047 nan 8.210 nan 0.000 0.408 264 T N -0.039 114.559 114.554 0.073 0.000 2.746 264 T HA -0.242 4.103 4.350 -0.009 0.000 0.267 264 T C 2.078 176.838 174.700 0.099 0.000 1.039 264 T CA 1.567 63.713 62.100 0.076 0.000 1.142 264 T CB -0.297 68.598 68.868 0.044 0.000 0.866 264 T HN 0.311 nan 8.240 nan 0.000 0.444 265 R N -0.189 120.369 120.500 0.096 0.000 2.081 265 R HA -0.175 4.160 4.340 -0.009 0.000 0.235 265 R C 2.391 178.765 176.300 0.122 0.000 1.131 265 R CA 1.732 57.892 56.100 0.100 0.000 0.960 265 R CB -0.321 30.029 30.300 0.084 0.000 0.856 265 R HN 0.495 nan 8.270 nan 0.000 0.436 266 H N -0.079 119.011 119.070 0.033 0.000 2.293 266 H HA -0.054 4.497 4.556 -0.009 0.000 0.300 266 H C 1.886 177.256 175.328 0.070 0.000 1.082 266 H CA 2.170 58.234 56.048 0.027 0.000 1.308 266 H CB -0.239 29.529 29.762 0.011 0.000 1.375 266 H HN 0.015 nan 8.280 nan 0.000 0.495 267 V N 0.718 120.702 119.914 0.117 0.000 2.469 267 V HA -0.252 3.863 4.120 -0.009 0.000 0.251 267 V C 2.667 178.842 176.094 0.136 0.000 1.064 267 V CA 1.762 64.132 62.300 0.117 0.000 1.066 267 V CB -0.642 31.274 31.823 0.156 0.000 0.667 267 V HN 0.402 nan 8.190 nan 0.000 0.461 268 L N -1.086 120.203 121.223 0.110 0.000 2.093 268 L HA -0.141 4.194 4.340 -0.009 0.000 0.208 268 L C 2.338 179.264 176.870 0.093 0.000 1.085 268 L CA 1.363 56.274 54.840 0.119 0.000 0.755 268 L CB -0.361 41.766 42.059 0.113 0.000 0.904 268 L HN 0.303 nan 8.230 nan 0.000 0.435 269 L N -1.146 120.098 121.223 0.035 0.000 2.072 269 L HA -0.217 4.118 4.340 -0.009 0.000 0.205 269 L C 2.477 179.362 176.870 0.025 0.000 1.079 269 L CA 0.558 55.406 54.840 0.013 0.000 0.752 269 L CB -0.432 41.584 42.059 -0.072 0.000 0.906 269 L HN 0.204 nan 8.230 nan 0.000 0.436 270 L N -0.435 120.757 121.223 -0.052 0.000 2.079 270 L HA -0.213 4.122 4.340 -0.009 0.000 0.210 270 L C 2.612 179.523 176.870 0.068 0.000 1.081 270 L CA 1.752 56.598 54.840 0.010 0.000 0.752 270 L CB -0.589 41.460 42.059 -0.016 0.000 0.896 270 L HN 0.143 nan 8.230 nan 0.000 0.433 271 S N -0.765 114.967 115.700 0.054 0.000 2.368 271 S HA -0.111 4.353 4.470 -0.009 0.000 0.224 271 S C 1.942 176.497 174.600 -0.075 0.000 1.029 271 S CA 0.830 58.947 58.200 -0.137 0.000 0.988 271 S CB -0.252 63.013 63.200 0.109 0.000 0.838 271 S HN 0.431 nan 8.310 nan 0.000 0.462 272 R N -0.030 120.501 120.500 0.052 0.000 2.081 272 R HA -0.128 4.207 4.340 -0.009 0.000 0.235 272 R C 2.059 178.394 176.300 0.058 0.000 1.131 272 R CA 1.395 57.542 56.100 0.077 0.000 0.960 272 R CB -0.672 29.704 30.300 0.127 0.000 0.856 272 R HN 0.567 nan 8.270 nan 0.000 0.436 273 W N 2.714 123.969 121.300 -0.075 0.000 2.335 273 W HA -0.246 4.409 4.660 -0.010 0.000 0.311 273 W C 2.280 178.721 176.519 -0.131 0.000 1.213 273 W CA 1.687 58.983 57.345 -0.082 0.000 1.274 273 W CB -0.196 29.204 29.460 -0.100 0.000 1.148 273 W HN -0.088 nan 8.180 nan 0.000 0.498 274 K N 0.879 121.172 120.400 -0.178 0.000 2.097 274 K HA -0.106 4.209 4.320 -0.009 0.000 0.206 274 K C 2.067 178.354 176.600 -0.521 0.000 1.049 274 K CA 1.951 57.920 56.287 -0.530 0.000 0.933 274 K CB -0.971 31.226 32.500 -0.506 0.000 0.717 274 K HN 0.152 nan 8.250 nan 0.000 0.442 275 A N -0.101 122.551 122.820 -0.280 0.000 1.933 275 A HA -0.172 4.143 4.320 -0.009 0.000 0.218 275 A C 2.215 179.820 177.584 0.035 0.000 1.175 275 A CA 2.411 54.426 52.037 -0.037 0.000 0.628 275 A CB -1.319 17.775 19.000 0.157 0.000 0.814 275 A HN 0.610 nan 8.150 nan 0.000 0.444 276 T N -2.555 111.907 114.554 -0.153 0.000 2.904 276 T HA -0.132 4.213 4.350 -0.009 0.000 0.267 276 T C 1.527 176.055 174.700 -0.287 0.000 1.059 276 T CA 1.643 63.655 62.100 -0.146 0.000 1.137 276 T CB -0.396 68.356 68.868 -0.192 0.000 0.879 276 T HN 0.425 nan 8.240 nan 0.000 0.467 277 D N 0.964 121.014 120.400 -0.584 0.000 2.097 277 D HA -0.047 4.587 4.640 -0.009 0.000 0.195 277 D C 1.883 177.901 176.300 -0.470 0.000 0.989 277 D CA 0.766 54.401 54.000 -0.609 0.000 0.827 277 D CB -0.351 39.895 40.800 -0.923 0.000 0.966 277 D HN 0.241 nan 8.370 nan 0.000 0.456 278 L N -0.591 120.278 121.223 -0.589 0.000 2.109 278 L HA 0.043 4.377 4.340 -0.009 0.000 0.207 278 L C 2.042 178.585 176.870 -0.546 0.000 1.086 278 L CA 1.182 55.523 54.840 -0.831 0.000 0.760 278 L CB -0.725 40.414 42.059 -1.532 0.000 0.910 278 L HN 0.136 nan 8.230 nan 0.000 0.437 279 F N -1.837 118.001 119.950 -0.188 0.000 2.325 279 F HA -0.164 4.357 4.527 -0.009 0.000 0.299 279 F C 2.184 177.971 175.800 -0.022 0.000 1.090 279 F CA 0.345 58.368 58.000 0.037 0.000 1.392 279 F CB -0.158 38.880 39.000 0.064 0.000 1.053 279 F HN 0.011 nan 8.300 nan 0.000 0.521 280 L N 0.606 121.859 121.223 0.050 0.000 2.046 280 L HA -0.214 4.120 4.340 -0.009 0.000 0.208 280 L C 2.168 179.030 176.870 -0.013 0.000 1.077 280 L CA 1.857 56.696 54.840 -0.002 0.000 0.747 280 L CB -0.641 41.370 42.059 -0.079 0.000 0.896 280 L HN -0.017 nan 8.230 nan 0.000 0.432 281 K N -0.776 119.581 120.400 -0.071 0.000 2.057 281 K HA -0.186 4.129 4.320 -0.009 0.000 0.207 281 K C 1.774 178.380 176.600 0.010 0.000 1.049 281 K CA 1.687 57.937 56.287 -0.061 0.000 0.931 281 K CB -0.324 32.093 32.500 -0.137 0.000 0.714 281 K HN 0.296 nan 8.250 nan 0.000 0.440 282 D N 0.836 121.274 120.400 0.064 0.000 2.104 282 D HA -0.137 4.497 4.640 -0.009 0.000 0.194 282 D C 1.809 178.176 176.300 0.111 0.000 0.994 282 D CA 0.949 55.029 54.000 0.134 0.000 0.830 282 D CB -0.040 40.905 40.800 0.241 0.000 0.959 282 D HN 0.023 nan 8.370 nan 0.000 0.452 283 I N 0.750 121.392 120.570 0.119 0.000 2.286 283 I HA -0.183 3.982 4.170 -0.009 0.000 0.248 283 I C 2.211 178.360 176.117 0.052 0.000 1.115 283 I CA 1.070 62.423 61.300 0.087 0.000 1.392 283 I CB -1.091 36.959 38.000 0.082 0.000 1.065 283 I HN 0.120 nan 8.210 nan 0.000 0.418 284 Q N 0.599 120.422 119.800 0.037 0.000 2.135 284 Q HA -0.146 4.189 4.340 -0.009 0.000 0.204 284 Q C 2.523 178.538 176.000 0.025 0.000 0.981 284 Q CA 1.303 57.119 55.803 0.023 0.000 0.856 284 Q CB -0.477 28.266 28.738 0.008 0.000 0.902 284 Q HN 0.391 nan 8.270 nan 0.000 0.425 285 V N 0.762 120.695 119.914 0.030 0.000 2.261 285 V HA -0.264 3.851 4.120 -0.009 0.000 0.246 285 V C 2.357 178.468 176.094 0.028 0.000 1.047 285 V CA 1.372 63.688 62.300 0.028 0.000 1.015 285 V CB -0.630 31.214 31.823 0.034 0.000 0.642 285 V HN 0.218 nan 8.190 nan 0.000 0.446 286 L N 0.012 121.257 121.223 0.037 0.000 2.079 286 L HA -0.144 4.191 4.340 -0.009 0.000 0.210 286 L C 2.363 179.254 176.870 0.035 0.000 1.081 286 L CA 1.556 56.416 54.840 0.033 0.000 0.752 286 L CB -1.108 40.978 42.059 0.045 0.000 0.896 286 L HN 0.183 nan 8.230 nan 0.000 0.433 287 V N -1.650 118.287 119.914 0.038 0.000 2.867 287 V HA -0.210 3.905 4.120 -0.009 0.000 0.260 287 V C 2.240 178.355 176.094 0.036 0.000 1.099 287 V CA 1.625 63.950 62.300 0.041 0.000 1.122 287 V CB -0.516 31.328 31.823 0.035 0.000 0.708 287 V HN 0.429 nan 8.190 nan 0.000 0.490 288 S N -0.934 114.781 115.700 0.026 0.000 2.460 288 S HA -0.002 4.462 4.470 -0.009 0.000 0.226 288 S C 1.892 176.499 174.600 0.012 0.000 1.057 288 S CA 0.281 58.493 58.200 0.020 0.000 0.948 288 S CB 0.016 63.225 63.200 0.015 0.000 0.822 288 S HN 0.565 nan 8.310 nan 0.000 0.512 289 E N 1.742 121.946 120.200 0.006 0.000 2.051 289 E HA 0.096 4.441 4.350 -0.009 0.000 0.189 289 E C 0.595 177.179 176.600 -0.027 0.000 0.979 289 E CA 0.395 56.789 56.400 -0.010 0.000 0.803 289 E CB -0.422 29.270 29.700 -0.013 0.000 0.761 289 E HN 0.411 nan 8.360 nan 0.000 0.451 290 L N 3.050 124.259 121.223 -0.024 0.000 2.451 290 L HA 0.058 4.392 4.340 -0.009 0.000 0.272 290 L C 0.899 177.774 176.870 0.008 0.000 1.258 290 L CA -0.017 54.788 54.840 -0.057 0.000 1.132 290 L CB -0.417 41.619 42.059 -0.038 0.000 1.361 290 L HN 0.053 nan 8.230 nan 0.000 0.438 291 S N 0.427 116.124 115.700 -0.005 0.000 2.540 291 S HA 0.135 4.600 4.470 -0.009 0.000 0.222 291 S C 0.844 175.475 174.600 0.052 0.000 1.008 291 S CA -0.688 57.536 58.200 0.041 0.000 0.939 291 S CB 0.273 63.488 63.200 0.025 0.000 0.865 291 S HN 0.459 nan 8.310 nan 0.000 0.499 292 M N 1.320 120.921 119.600 0.000 0.000 2.235 292 M HA 0.156 4.630 4.480 -0.009 0.000 0.316 292 M C 0.930 177.322 176.300 0.153 0.000 1.035 292 M CA 0.122 55.434 55.300 0.020 0.000 1.084 292 M CB -0.715 31.827 32.600 -0.096 0.000 1.529 292 M HN 0.002 nan 8.290 nan 0.000 0.440 293 V N -0.032 119.951 119.914 0.115 0.000 2.788 293 V HA 0.031 4.146 4.120 -0.009 0.000 0.241 293 V C 1.124 177.293 176.094 0.125 0.000 1.083 293 V CA 0.807 63.173 62.300 0.111 0.000 1.103 293 V CB -0.470 31.384 31.823 0.051 0.000 0.800 293 V HN 0.989 nan 8.190 nan 0.000 0.476 294 E N 0.978 121.244 120.200 0.110 0.000 2.351 294 E HA 0.405 4.749 4.350 -0.009 0.000 0.266 294 E C -0.361 176.340 176.600 0.167 0.000 1.031 294 E CA 0.295 56.750 56.400 0.092 0.000 0.911 294 E CB 0.458 30.190 29.700 0.053 0.000 0.986 294 E HN 0.484 nan 8.360 nan 0.000 0.446 295 A N 3.502 126.368 122.820 0.077 0.000 2.556 295 A HA 0.481 4.796 4.320 -0.009 0.000 0.294 295 A C -0.210 177.363 177.584 -0.018 0.000 1.091 295 A CA -0.521 51.533 52.037 0.029 0.000 0.704 295 A CB 1.348 20.210 19.000 -0.229 0.000 1.300 295 A HN 0.704 nan 8.150 nan 0.000 0.406 296 T N -0.347 114.194 114.554 -0.023 0.000 2.856 296 T HA 0.350 4.694 4.350 -0.009 0.000 0.306 296 T C -1.781 172.893 174.700 -0.043 0.000 1.062 296 T CA -0.566 61.518 62.100 -0.027 0.000 1.083 296 T CB 0.406 69.260 68.868 -0.024 0.000 0.984 296 T HN 0.264 nan 8.240 nan 0.000 0.542 297 P HA -0.200 nan 4.420 nan 0.000 0.214 297 P C 1.878 179.158 177.300 -0.033 0.000 1.163 297 P CA 1.434 64.517 63.100 -0.029 0.000 0.889 297 P CB -0.009 31.681 31.700 -0.018 0.000 0.790 298 E N -0.024 120.161 120.200 -0.026 0.000 2.049 298 E HA -0.233 4.111 4.350 -0.009 0.000 0.198 298 E C 2.064 178.643 176.600 -0.036 0.000 1.007 298 E CA 1.360 57.748 56.400 -0.021 0.000 0.809 298 E CB -1.646 28.048 29.700 -0.011 0.000 0.749 298 E HN 0.176 nan 8.360 nan 0.000 0.450 299 L N 1.128 122.314 121.223 -0.062 0.000 2.079 299 L HA -0.096 4.238 4.340 -0.009 0.000 0.210 299 L C 2.486 179.295 176.870 -0.101 0.000 1.081 299 L CA 1.381 56.161 54.840 -0.101 0.000 0.752 299 L CB -0.494 41.455 42.059 -0.184 0.000 0.896 299 L HN 0.096 nan 8.230 nan 0.000 0.433 300 L N -0.746 120.420 121.223 -0.094 0.000 2.265 300 L HA -0.169 4.166 4.340 -0.009 0.000 0.215 300 L C 2.514 179.356 176.870 -0.047 0.000 1.117 300 L CA 0.859 55.652 54.840 -0.079 0.000 0.782 300 L CB -0.785 41.234 42.059 -0.066 0.000 0.914 300 L HN 0.426 nan 8.230 nan 0.000 0.441 301 A N 0.241 123.042 122.820 -0.033 0.000 1.855 301 A HA -0.069 4.245 4.320 -0.009 0.000 0.213 301 A C 2.152 179.737 177.584 0.003 0.000 1.195 301 A CA 0.770 52.799 52.037 -0.014 0.000 0.610 301 A CB -0.583 18.412 19.000 -0.009 0.000 0.837 301 A HN 0.306 nan 8.150 nan 0.000 0.444 302 L N 0.344 121.570 121.223 0.005 0.000 2.129 302 L HA -0.221 4.114 4.340 -0.009 0.000 0.212 302 L C 2.486 179.403 176.870 0.078 0.000 1.087 302 L CA 1.704 56.560 54.840 0.027 0.000 0.757 302 L CB -0.812 41.253 42.059 0.011 0.000 0.896 302 L HN 0.489 nan 8.230 nan 0.000 0.434 303 V N -3.722 116.242 119.914 0.083 0.000 2.685 303 V HA 0.417 4.532 4.120 -0.009 0.000 0.244 303 V C 1.623 177.734 176.094 0.028 0.000 1.054 303 V CA 0.452 62.858 62.300 0.177 0.000 1.076 303 V CB -0.884 31.020 31.823 0.136 0.000 0.725 303 V HN 0.465 nan 8.190 nan 0.000 0.467 304 G N 1.038 109.828 108.800 -0.017 0.000 2.614 304 G HA2 -0.402 3.553 3.960 -0.009 0.000 0.303 304 G HA3 -0.402 3.553 3.960 -0.009 0.000 0.303 304 G C 0.112 174.957 174.900 -0.090 0.000 1.270 304 G CA 0.808 45.883 45.100 -0.042 0.000 0.988 304 G HN 1.014 nan 8.290 nan 0.000 0.551 305 E N 0.983 121.135 120.200 -0.081 0.000 2.390 305 E HA 0.341 4.686 4.350 -0.009 0.000 0.261 305 E C 1.023 177.518 176.600 -0.176 0.000 1.076 305 E CA 0.686 57.025 56.400 -0.101 0.000 0.905 305 E CB 0.261 29.922 29.700 -0.066 0.000 0.984 305 E HN 0.802 nan 8.360 nan 0.000 0.427 306 E N 0.762 120.853 120.200 -0.183 0.000 3.975 306 E HA -0.255 4.090 4.350 -0.009 0.000 0.342 306 E C 0.404 176.724 176.600 -0.466 0.000 0.677 306 E CA 1.091 57.339 56.400 -0.252 0.000 1.238 306 E CB -1.329 28.239 29.700 -0.219 0.000 1.665 306 E HN 0.711 nan 8.360 nan 0.000 0.429 307 G N -1.240 107.262 108.800 -0.496 0.000 3.528 307 G HA2 0.531 4.485 3.960 -0.009 0.000 0.266 307 G HA3 0.531 4.485 3.960 -0.009 0.000 0.266 307 G C 0.872 175.618 174.900 -0.257 0.000 1.004 307 G CA 0.559 45.286 45.100 -0.623 0.000 0.853 307 G HN 0.304 nan 8.290 nan 0.000 0.501 308 A N 0.680 123.391 122.820 -0.181 0.000 2.021 308 A HA 0.547 4.861 4.320 -0.009 0.000 0.216 308 A C 2.582 180.119 177.584 -0.078 0.000 1.163 308 A CA 1.651 53.622 52.037 -0.109 0.000 0.676 308 A CB -0.256 18.692 19.000 -0.086 0.000 0.818 308 A HN 0.586 nan 8.150 nan 0.000 0.453 309 A N -0.135 122.636 122.820 -0.082 0.000 1.877 309 A HA -0.059 4.255 4.320 -0.009 0.000 0.216 309 A C 1.058 178.633 177.584 -0.015 0.000 1.186 309 A CA 1.373 53.384 52.037 -0.045 0.000 0.620 309 A CB -0.158 18.814 19.000 -0.048 0.000 0.822 309 A HN 0.499 nan 8.150 nan 0.000 0.443 310 E N -0.914 119.277 120.200 -0.015 0.000 3.132 310 E HA 0.158 4.503 4.350 -0.009 0.000 0.241 310 E C -2.151 174.484 176.600 0.058 0.000 1.196 310 E CA -1.799 54.630 56.400 0.048 0.000 0.869 310 E CB 1.680 31.421 29.700 0.069 0.000 1.387 310 E HN 0.327 nan 8.360 nan 0.000 0.393 311 P HA -0.243 nan 4.420 nan 0.000 0.213 311 P C 0.941 178.207 177.300 -0.058 0.000 1.170 311 P CA 1.564 64.605 63.100 -0.098 0.000 0.902 311 P CB 0.103 31.616 31.700 -0.311 0.000 0.789 312 Y N 0.273 120.608 120.300 0.059 0.000 2.114 312 Y HA -0.122 4.422 4.550 -0.009 0.000 0.284 312 Y C 3.129 179.064 175.900 0.058 0.000 1.143 312 Y CA 1.506 59.631 58.100 0.042 0.000 1.135 312 Y CB -1.256 37.212 38.460 0.013 0.000 0.980 312 Y HN -0.158 nan 8.280 nan 0.000 0.499 313 R N -0.405 120.241 120.500 0.244 0.000 2.200 313 R HA -0.225 4.110 4.340 -0.009 0.000 0.234 313 R C 2.053 178.456 176.300 0.172 0.000 1.127 313 R CA 1.305 57.504 56.100 0.164 0.000 0.989 313 R CB -0.705 29.676 30.300 0.135 0.000 0.869 313 R HN 0.570 nan 8.270 nan 0.000 0.459 314 Y N 0.124 120.443 120.300 0.030 0.000 2.084 314 Y HA -0.191 4.354 4.550 -0.009 0.000 0.279 314 Y C 1.819 177.723 175.900 0.007 0.000 1.119 314 Y CA 1.655 59.759 58.100 0.006 0.000 1.101 314 Y CB -0.156 38.293 38.460 -0.019 0.000 0.989 314 Y HN -0.005 nan 8.280 nan 0.000 0.484 315 L N -0.149 121.000 121.223 -0.124 0.000 2.051 315 L HA -0.346 3.988 4.340 -0.009 0.000 0.214 315 L C 2.427 179.216 176.870 -0.135 0.000 1.076 315 L CA 1.308 56.024 54.840 -0.206 0.000 0.758 315 L CB -0.529 41.486 42.059 -0.074 0.000 0.890 315 L HN 0.442 nan 8.230 nan 0.000 0.433 316 M N -0.631 118.946 119.600 -0.037 0.000 2.213 316 M HA -0.186 4.289 4.480 -0.009 0.000 0.263 316 M C 2.099 178.380 176.300 -0.031 0.000 1.062 316 M CA 1.609 56.903 55.300 -0.011 0.000 1.105 316 M CB -0.919 31.704 32.600 0.037 0.000 1.385 316 M HN 0.192 nan 8.290 nan 0.000 0.417 317 K N -0.281 120.091 120.400 -0.047 0.000 2.228 317 K HA -0.030 4.284 4.320 -0.009 0.000 0.202 317 K C 1.661 178.209 176.600 -0.087 0.000 1.051 317 K CA 0.565 56.828 56.287 -0.040 0.000 0.960 317 K CB -0.001 32.502 32.500 0.006 0.000 0.743 317 K HN 0.341 nan 8.250 nan 0.000 0.458 318 N N 1.073 119.666 118.700 -0.179 0.000 2.354 318 N HA -0.086 4.648 4.740 -0.009 0.000 0.179 318 N C 1.728 177.173 175.510 -0.110 0.000 1.021 318 N CA 0.654 53.595 53.050 -0.182 0.000 0.887 318 N CB 0.120 38.427 38.487 -0.300 0.000 0.974 318 N HN 0.163 nan 8.380 nan 0.000 0.437 319 L N 0.969 122.136 121.223 -0.092 0.000 2.109 319 L HA -0.032 4.303 4.340 -0.009 0.000 0.207 319 L C 2.633 179.482 176.870 -0.036 0.000 1.086 319 L CA 0.786 55.591 54.840 -0.058 0.000 0.760 319 L CB -0.044 41.989 42.059 -0.042 0.000 0.910 319 L HN 0.061 nan 8.230 nan 0.000 0.437 320 R N -0.912 119.573 120.500 -0.026 0.000 2.092 320 R HA -0.133 4.202 4.340 -0.009 0.000 0.231 320 R C 2.191 178.483 176.300 -0.013 0.000 1.119 320 R CA 1.680 57.774 56.100 -0.010 0.000 0.970 320 R CB -0.021 30.278 30.300 -0.002 0.000 0.864 320 R HN 0.267 nan 8.270 nan 0.000 0.440 321 S N 0.357 116.044 115.700 -0.022 0.000 2.368 321 S HA -0.096 4.368 4.470 -0.009 0.000 0.224 321 S C 1.740 176.331 174.600 -0.015 0.000 1.029 321 S CA 1.127 59.319 58.200 -0.015 0.000 0.988 321 S CB -0.221 62.966 63.200 -0.022 0.000 0.838 321 S HN 0.280 nan 8.310 nan 0.000 0.462 322 R N 1.518 122.000 120.500 -0.029 0.000 2.080 322 R HA 0.023 4.357 4.340 -0.009 0.000 0.236 322 R C 2.090 178.379 176.300 -0.018 0.000 1.137 322 R CA 1.396 57.478 56.100 -0.031 0.000 0.943 322 R CB -0.840 29.433 30.300 -0.046 0.000 0.846 322 R HN 0.359 nan 8.270 nan 0.000 0.431 323 L N -0.331 120.881 121.223 -0.019 0.000 2.012 323 L HA -0.210 4.124 4.340 -0.009 0.000 0.210 323 L C 2.528 179.399 176.870 0.002 0.000 1.073 323 L CA 1.699 56.531 54.840 -0.013 0.000 0.748 323 L CB -0.380 41.672 42.059 -0.012 0.000 0.891 323 L HN 0.308 nan 8.230 nan 0.000 0.431 324 M N -0.964 118.639 119.600 0.005 0.000 2.279 324 M HA -0.171 4.303 4.480 -0.009 0.000 0.264 324 M C 2.396 178.726 176.300 0.051 0.000 1.062 324 M CA 1.473 56.786 55.300 0.021 0.000 1.099 324 M CB -0.540 32.071 32.600 0.019 0.000 1.394 324 M HN 0.348 nan 8.290 nan 0.000 0.426 325 A N 0.855 123.701 122.820 0.043 0.000 1.841 325 A HA -0.160 4.155 4.320 -0.009 0.000 0.214 325 A C 2.326 179.980 177.584 0.115 0.000 1.195 325 A CA 2.298 54.372 52.037 0.061 0.000 0.611 325 A CB -1.299 17.715 19.000 0.023 0.000 0.835 325 A HN 0.541 nan 8.150 nan 0.000 0.443 326 T N -1.959 112.654 114.554 0.099 0.000 2.746 326 T HA -0.274 4.070 4.350 -0.009 0.000 0.267 326 T C 2.012 176.859 174.700 0.245 0.000 1.039 326 T CA 1.828 64.034 62.100 0.177 0.000 1.142 326 T CB -0.545 68.389 68.868 0.110 0.000 0.866 326 T HN 0.549 nan 8.240 nan 0.000 0.444 327 Q N 0.948 120.837 119.800 0.148 0.000 2.096 327 Q HA -0.108 4.227 4.340 -0.009 0.000 0.204 327 Q C 2.572 178.716 176.000 0.241 0.000 0.982 327 Q CA 1.714 57.613 55.803 0.160 0.000 0.850 327 Q CB -0.618 28.139 28.738 0.031 0.000 0.901 327 Q HN 0.739 nan 8.270 nan 0.000 0.422 328 A N 0.020 122.958 122.820 0.195 0.000 1.877 328 A HA -0.212 4.103 4.320 -0.009 0.000 0.216 328 A C 1.678 179.386 177.584 0.207 0.000 1.186 328 A CA 1.368 53.513 52.037 0.179 0.000 0.620 328 A CB -1.279 17.810 19.000 0.147 0.000 0.822 328 A HN 0.759 nan 8.150 nan 0.000 0.443 329 W N 0.671 122.012 121.300 0.068 0.000 2.355 329 W HA -0.140 4.514 4.660 -0.010 0.000 0.309 329 W C 1.831 178.393 176.519 0.072 0.000 1.206 329 W CA 1.851 59.231 57.345 0.058 0.000 1.284 329 W CB -0.493 28.995 29.460 0.047 0.000 1.145 329 W HN 0.259 nan 8.180 nan 0.000 0.502 330 L N 0.369 121.652 121.223 0.099 0.000 2.012 330 L HA -0.259 4.076 4.340 -0.009 0.000 0.210 330 L C 2.445 179.242 176.870 -0.122 0.000 1.073 330 L CA 1.986 56.786 54.840 -0.067 0.000 0.748 330 L CB -1.036 41.146 42.059 0.205 0.000 0.891 330 L HN 0.021 nan 8.230 nan 0.000 0.431 331 E N -0.101 120.102 120.200 0.006 0.000 2.160 331 E HA -0.239 4.105 4.350 -0.009 0.000 0.195 331 E C 2.214 178.738 176.600 -0.126 0.000 0.991 331 E CA 1.095 57.446 56.400 -0.082 0.000 0.810 331 E CB -0.124 29.585 29.700 0.015 0.000 0.742 331 E HN 0.547 nan 8.360 nan 0.000 0.466 332 A N 1.457 124.189 122.820 -0.146 0.000 1.872 332 A HA -0.108 4.206 4.320 -0.009 0.000 0.214 332 A C 2.042 179.485 177.584 -0.234 0.000 1.187 332 A CA 0.746 52.687 52.037 -0.161 0.000 0.614 332 A CB -0.116 18.801 19.000 -0.139 0.000 0.826 332 A HN 0.014 nan 8.150 nan 0.000 0.442 333 R N -0.768 119.485 120.500 -0.412 0.000 2.120 333 R HA -0.027 4.308 4.340 -0.009 0.000 0.234 333 R C 1.709 177.882 176.300 -0.212 0.000 1.123 333 R CA 0.750 56.609 56.100 -0.400 0.000 0.975 333 R CB -1.011 28.870 30.300 -0.698 0.000 0.866 333 R HN 0.430 nan 8.270 nan 0.000 0.446 334 L N 1.313 122.422 121.223 -0.190 0.000 2.275 334 L HA -0.059 4.275 4.340 -0.009 0.000 0.215 334 L C 1.525 178.376 176.870 -0.031 0.000 1.119 334 L CA 1.666 56.452 54.840 -0.090 0.000 0.790 334 L CB -0.206 41.744 42.059 -0.182 0.000 0.919 334 L HN 0.043 nan 8.230 nan 0.000 0.443 335 K N -1.162 119.189 120.400 -0.082 0.000 2.404 335 K HA 0.305 4.619 4.320 -0.009 0.000 0.194 335 K C 1.030 177.596 176.600 -0.058 0.000 1.023 335 K CA 0.574 56.822 56.287 -0.065 0.000 1.094 335 K CB 0.209 32.666 32.500 -0.071 0.000 0.841 335 K HN 0.300 nan 8.250 nan 0.000 0.523 336 G N 2.090 110.852 108.800 -0.063 0.000 2.132 336 G HA2 -0.250 3.704 3.960 -0.009 0.000 0.234 336 G HA3 -0.250 3.704 3.960 -0.009 0.000 0.234 336 G C -0.566 174.302 174.900 -0.053 0.000 0.989 336 G CA -0.243 44.825 45.100 -0.053 0.000 0.676 336 G HN 0.365 nan 8.290 nan 0.000 0.522 337 E N 0.850 121.008 120.200 -0.071 0.000 2.134 337 E HA 0.377 4.722 4.350 -0.009 0.000 0.278 337 E C 0.103 176.668 176.600 -0.059 0.000 0.959 337 E CA -0.495 55.873 56.400 -0.053 0.000 0.783 337 E CB 1.150 30.821 29.700 -0.047 0.000 1.095 337 E HN 0.544 nan 8.360 nan 0.000 0.399 338 E N 2.230 122.422 120.200 -0.013 0.000 2.343 338 E HA 0.441 4.785 4.350 -0.009 0.000 0.269 338 E C -0.696 175.948 176.600 0.072 0.000 1.047 338 E CA -0.460 55.957 56.400 0.028 0.000 0.874 338 E CB 1.136 30.864 29.700 0.047 0.000 1.033 338 E HN 0.151 nan 8.360 nan 0.000 0.409 339 L N 2.730 124.052 121.223 0.165 0.000 2.703 339 L HA 0.285 4.619 4.340 -0.009 0.000 0.257 339 L C -2.864 174.202 176.870 0.325 0.000 0.923 339 L CA -1.528 53.441 54.840 0.214 0.000 0.936 339 L CB 1.876 44.060 42.059 0.208 0.000 1.482 339 L HN 0.253 nan 8.230 nan 0.000 0.432 340 P HA 0.149 nan 4.420 nan 0.000 0.262 340 P C -1.157 176.176 177.300 0.056 0.000 1.199 340 P CA -0.049 63.122 63.100 0.117 0.000 0.763 340 P CB 0.170 31.907 31.700 0.061 0.000 0.790 341 K N 5.779 126.098 120.400 -0.135 0.000 2.489 341 K HA 0.160 4.474 4.320 -0.009 0.000 0.278 341 K C -1.785 174.594 176.600 -0.369 0.000 1.000 341 K CA -1.236 54.651 56.287 -0.667 0.000 1.012 341 K CB -0.510 31.436 32.500 -0.923 0.000 0.903 341 K HN 0.309 nan 8.250 nan 0.000 0.485 342 P HA -0.058 nan 4.420 nan 0.000 0.285 342 P C -0.122 177.086 177.300 -0.154 0.000 1.282 342 P CA -0.021 62.985 63.100 -0.156 0.000 0.778 342 P CB 0.554 32.199 31.700 -0.091 0.000 1.222 343 E N -0.591 119.553 120.200 -0.093 0.000 2.057 343 E HA 0.022 4.367 4.350 -0.009 0.000 0.190 343 E C 1.876 178.427 176.600 -0.082 0.000 0.969 343 E CA 0.939 57.291 56.400 -0.080 0.000 0.812 343 E CB -0.661 29.009 29.700 -0.049 0.000 0.777 343 E HN 0.608 nan 8.360 nan 0.000 0.455 344 G N 1.816 110.576 108.800 -0.068 0.000 3.332 344 G HA2 0.095 4.050 3.960 -0.009 0.000 0.242 344 G HA3 0.095 4.050 3.960 -0.009 0.000 0.242 344 G C 0.203 175.061 174.900 -0.071 0.000 1.276 344 G CA -0.348 44.715 45.100 -0.061 0.000 0.988 344 G HN -0.021 nan 8.290 nan 0.000 0.517 345 L N 0.901 122.058 121.223 -0.110 0.000 2.559 345 L HA 0.226 4.560 4.340 -0.009 0.000 0.274 345 L C 0.100 176.917 176.870 -0.088 0.000 1.205 345 L CA 0.109 54.872 54.840 -0.129 0.000 0.907 345 L CB 0.450 42.347 42.059 -0.271 0.000 1.153 345 L HN 0.029 nan 8.230 nan 0.000 0.490 346 L N 5.467 126.661 121.223 -0.050 0.000 2.292 346 L HA 0.429 4.763 4.340 -0.009 0.000 0.284 346 L C 0.831 177.688 176.870 -0.023 0.000 1.065 346 L CA 0.116 54.931 54.840 -0.042 0.000 0.806 346 L CB 1.205 43.237 42.059 -0.045 0.000 1.175 346 L HN 0.882 nan 8.230 nan 0.000 0.431 347 T N -2.143 112.394 114.554 -0.029 0.000 3.131 347 T HA 0.217 4.561 4.350 -0.009 0.000 0.283 347 T C 0.310 174.997 174.700 -0.021 0.000 0.906 347 T CA -0.360 61.733 62.100 -0.011 0.000 0.882 347 T CB 0.527 69.385 68.868 -0.017 0.000 1.208 347 T HN 0.376 nan 8.240 nan 0.000 0.561 348 Q N 1.062 120.841 119.800 -0.035 0.000 2.323 348 Q HA 0.476 4.810 4.340 -0.009 0.000 0.271 348 Q C -0.049 175.926 176.000 -0.042 0.000 1.048 348 Q CA -0.384 55.394 55.803 -0.042 0.000 0.792 348 Q CB 2.060 30.770 28.738 -0.047 0.000 1.280 348 Q HN 0.266 nan 8.270 nan 0.000 0.441 349 N N 1.026 119.701 118.700 -0.041 0.000 2.192 349 N HA -0.237 4.497 4.740 -0.009 0.000 0.188 349 N C 1.286 176.803 175.510 0.012 0.000 1.013 349 N CA 0.866 53.898 53.050 -0.030 0.000 0.863 349 N CB 0.312 38.783 38.487 -0.027 0.000 0.990 349 N HN 0.598 nan 8.380 nan 0.000 0.430 350 E N 1.595 121.790 120.200 -0.008 0.000 2.160 350 E HA -0.225 4.119 4.350 -0.009 0.000 0.195 350 E C 1.241 177.885 176.600 0.074 0.000 0.991 350 E CA 1.025 57.444 56.400 0.031 0.000 0.810 350 E CB 0.115 29.804 29.700 -0.018 0.000 0.742 350 E HN 0.473 nan 8.360 nan 0.000 0.466 351 E N 0.122 120.334 120.200 0.021 0.000 2.204 351 E HA -0.145 4.200 4.350 -0.009 0.000 0.194 351 E C 2.213 178.816 176.600 0.005 0.000 0.989 351 E CA 0.711 57.115 56.400 0.007 0.000 0.824 351 E CB 0.055 29.739 29.700 -0.026 0.000 0.756 351 E HN 0.358 nan 8.360 nan 0.000 0.477 352 L N 0.027 121.248 121.223 -0.003 0.000 2.127 352 L HA -0.020 4.315 4.340 -0.009 0.000 0.203 352 L C 2.446 179.348 176.870 0.054 0.000 1.080 352 L CA 0.431 55.249 54.840 -0.037 0.000 0.768 352 L CB -0.353 41.605 42.059 -0.168 0.000 0.924 352 L HN 0.349 nan 8.230 nan 0.000 0.444 353 W N 1.790 123.057 121.300 -0.055 0.000 2.363 353 W HA -0.215 4.440 4.660 -0.009 0.000 0.296 353 W C 2.095 178.645 176.519 0.051 0.000 1.212 353 W CA 1.829 59.168 57.345 -0.011 0.000 1.260 353 W CB 0.058 29.485 29.460 -0.054 0.000 1.131 353 W HN 0.207 nan 8.180 nan 0.000 0.530 354 E N 0.511 120.846 120.200 0.225 0.000 2.026 354 E HA -0.242 4.102 4.350 -0.009 0.000 0.206 354 E C -0.106 176.532 176.600 0.063 0.000 1.028 354 E CA 3.183 59.684 56.400 0.167 0.000 0.845 354 E CB -1.529 28.246 29.700 0.124 0.000 0.772 354 E HN 0.130 nan 8.360 nan 0.000 0.462 355 P HA -0.157 nan 4.420 nan 0.000 0.216 355 P C 1.507 178.792 177.300 -0.025 0.000 1.153 355 P CA 1.368 64.464 63.100 -0.008 0.000 0.848 355 P CB -0.040 31.644 31.700 -0.026 0.000 0.787 356 L N -1.923 119.263 121.223 -0.063 0.000 2.017 356 L HA -0.189 4.145 4.340 -0.009 0.000 0.208 356 L C 2.974 179.763 176.870 -0.134 0.000 1.073 356 L CA 1.591 56.377 54.840 -0.091 0.000 0.745 356 L CB -1.302 40.676 42.059 -0.134 0.000 0.894 356 L HN -0.092 nan 8.230 nan 0.000 0.432 357 Y N 0.535 120.568 120.300 -0.445 0.000 2.274 357 Y HA -0.236 4.309 4.550 -0.009 0.000 0.290 357 Y C 2.396 178.246 175.900 -0.083 0.000 1.145 357 Y CA 0.875 58.707 58.100 -0.445 0.000 1.203 357 Y CB -0.317 37.720 38.460 -0.705 0.000 0.984 357 Y HN 0.119 nan 8.280 nan 0.000 0.533 358 A N -0.725 122.056 122.820 -0.064 0.000 1.858 358 A HA -0.231 4.083 4.320 -0.009 0.000 0.216 358 A C 2.442 179.996 177.584 -0.049 0.000 1.190 358 A CA 1.818 53.815 52.037 -0.066 0.000 0.617 358 A CB -1.593 17.402 19.000 -0.008 0.000 0.827 358 A HN 0.591 nan 8.150 nan 0.000 0.443 359 C N -2.183 117.135 119.300 0.030 0.000 2.401 359 C HA -0.174 4.280 4.460 -0.009 0.000 0.276 359 C C 2.510 177.579 174.990 0.131 0.000 1.233 359 C CA 1.181 60.315 59.018 0.193 0.000 1.753 359 C CB -1.672 26.209 27.740 0.234 0.000 2.029 359 C HN 0.708 nan 8.230 nan 0.000 0.478 360 Y N 1.442 121.671 120.300 -0.119 0.000 2.097 360 Y HA -0.254 4.290 4.550 -0.009 0.000 0.282 360 Y C 2.686 178.466 175.900 -0.200 0.000 1.152 360 Y CA 1.973 59.966 58.100 -0.178 0.000 1.136 360 Y CB -0.584 37.719 38.460 -0.261 0.000 0.975 360 Y HN 0.302 nan 8.280 nan 0.000 0.498 361 Q N -0.193 119.468 119.800 -0.232 0.000 2.077 361 Q HA -0.237 4.097 4.340 -0.009 0.000 0.206 361 Q C 2.576 178.477 176.000 -0.165 0.000 0.989 361 Q CA 1.792 57.444 55.803 -0.252 0.000 0.853 361 Q CB -0.919 27.655 28.738 -0.275 0.000 0.907 361 Q HN 0.495 nan 8.270 nan 0.000 0.418 362 S N 0.287 115.946 115.700 -0.069 0.000 2.363 362 S HA -0.110 4.355 4.470 -0.009 0.000 0.218 362 S C 2.119 176.731 174.600 0.019 0.000 1.035 362 S CA 1.069 59.285 58.200 0.027 0.000 1.043 362 S CB -0.369 62.909 63.200 0.130 0.000 0.986 362 S HN 0.341 nan 8.310 nan 0.000 0.423 363 L N 1.209 122.443 121.223 0.017 0.000 2.103 363 L HA -0.219 4.115 4.340 -0.009 0.000 0.215 363 L C 2.871 179.621 176.870 -0.201 0.000 1.080 363 L CA 1.856 56.606 54.840 -0.151 0.000 0.764 363 L CB -0.590 41.293 42.059 -0.293 0.000 0.890 363 L HN 0.418 nan 8.230 nan 0.000 0.435 364 Q N -0.204 119.418 119.800 -0.298 0.000 2.079 364 Q HA -0.137 4.198 4.340 -0.009 0.000 0.200 364 Q C 2.161 178.072 176.000 -0.149 0.000 0.974 364 Q CA 1.978 57.608 55.803 -0.288 0.000 0.840 364 Q CB -0.177 28.314 28.738 -0.411 0.000 0.898 364 Q HN 0.462 nan 8.270 nan 0.000 0.430 365 A N -0.745 122.009 122.820 -0.109 0.000 1.854 365 A HA -0.112 4.202 4.320 -0.009 0.000 0.214 365 A C 1.992 179.552 177.584 -0.041 0.000 1.192 365 A CA 1.233 53.235 52.037 -0.058 0.000 0.611 365 A CB -0.863 18.112 19.000 -0.041 0.000 0.832 365 A HN 0.507 nan 8.150 nan 0.000 0.442 366 C N 0.679 119.962 119.300 -0.028 0.000 2.428 366 C HA 0.400 4.855 4.460 -0.009 0.000 0.347 366 C C 1.598 176.569 174.990 -0.031 0.000 1.345 366 C CA 0.048 59.058 59.018 -0.013 0.000 1.586 366 C CB -2.224 25.532 27.740 0.026 0.000 1.638 366 C HN 1.051 nan 8.230 nan 0.000 0.597 367 G N 1.530 110.301 108.800 -0.048 0.000 2.359 367 G HA2 -0.274 3.681 3.960 -0.009 0.000 0.298 367 G HA3 -0.274 3.681 3.960 -0.009 0.000 0.298 367 G C 0.019 174.879 174.900 -0.066 0.000 1.030 367 G CA 0.243 45.312 45.100 -0.051 0.000 1.149 367 G HN 0.644 nan 8.290 nan 0.000 0.512 368 M N 0.153 119.695 119.600 -0.097 0.000 4.045 368 M HA 0.254 4.728 4.480 -0.009 0.000 0.498 368 M C 1.781 177.997 176.300 -0.141 0.000 1.896 368 M CA 0.225 55.456 55.300 -0.115 0.000 0.626 368 M CB 0.764 33.279 32.600 -0.142 0.000 1.458 368 M HN 0.312 nan 8.290 nan 0.000 0.556 369 G N 0.919 109.644 108.800 -0.125 0.000 2.422 369 G HA2 -0.143 3.812 3.960 -0.009 0.000 0.218 369 G HA3 -0.143 3.812 3.960 -0.009 0.000 0.218 369 G C 1.244 176.093 174.900 -0.085 0.000 1.146 369 G CA 0.812 45.832 45.100 -0.133 0.000 0.769 369 G HN 0.511 nan 8.290 nan 0.000 0.547 370 I N 0.805 121.338 120.570 -0.061 0.000 2.264 370 I HA -0.170 3.995 4.170 -0.009 0.000 0.248 370 I C 2.454 178.546 176.117 -0.042 0.000 1.111 370 I CA 0.630 61.907 61.300 -0.038 0.000 1.382 370 I CB -0.244 37.737 38.000 -0.032 0.000 1.060 370 I HN 0.096 nan 8.210 nan 0.000 0.418 371 I N 1.144 121.671 120.570 -0.072 0.000 2.193 371 I HA -0.165 4.000 4.170 -0.009 0.000 0.240 371 I C 2.952 179.029 176.117 -0.066 0.000 1.084 371 I CA 1.515 62.768 61.300 -0.078 0.000 1.365 371 I CB -1.613 36.312 38.000 -0.124 0.000 1.064 371 I HN 0.150 nan 8.210 nan 0.000 0.410 372 A N 1.398 124.151 122.820 -0.112 0.000 1.892 372 A HA -0.208 4.107 4.320 -0.009 0.000 0.218 372 A C 1.753 179.419 177.584 0.137 0.000 1.188 372 A CA 1.822 53.809 52.037 -0.083 0.000 0.631 372 A CB -0.837 17.901 19.000 -0.437 0.000 0.822 372 A HN 0.481 nan 8.150 nan 0.000 0.447 373 N N 0.277 119.042 118.700 0.110 0.000 2.413 373 N HA 0.086 4.821 4.740 -0.009 0.000 0.207 373 N C 0.893 176.451 175.510 0.080 0.000 1.206 373 N CA 0.754 53.903 53.050 0.165 0.000 0.832 373 N CB 0.135 38.700 38.487 0.128 0.000 1.037 373 N HN 0.529 nan 8.380 nan 0.000 0.467 374 G N 0.553 109.386 108.800 0.055 0.000 3.434 374 G HA2 -0.005 3.950 3.960 -0.009 0.000 0.192 374 G HA3 -0.005 3.950 3.960 -0.009 0.000 0.192 374 G C 0.716 175.633 174.900 0.029 0.000 1.704 374 G CA -0.024 45.093 45.100 0.028 0.000 0.936 374 G HN 0.040 nan 8.290 nan 0.000 0.623 375 D N -0.117 120.296 120.400 0.021 0.000 2.178 375 D HA -0.092 4.542 4.640 -0.009 0.000 0.201 375 D C 2.435 178.753 176.300 0.030 0.000 0.980 375 D CA 0.483 54.497 54.000 0.023 0.000 0.842 375 D CB 0.036 40.850 40.800 0.024 0.000 0.948 375 D HN 0.078 nan 8.370 nan 0.000 0.472 376 L N 0.940 122.187 121.223 0.039 0.000 1.994 376 L HA -0.140 4.195 4.340 -0.009 0.000 0.208 376 L C 2.185 179.071 176.870 0.027 0.000 1.071 376 L CA 1.250 56.120 54.840 0.050 0.000 0.745 376 L CB -0.791 41.321 42.059 0.088 0.000 0.892 376 L HN -0.009 nan 8.230 nan 0.000 0.431 377 L N -0.534 120.716 121.223 0.046 0.000 2.127 377 L HA -0.217 4.118 4.340 -0.009 0.000 0.211 377 L C 1.945 178.799 176.870 -0.027 0.000 1.089 377 L CA 1.818 56.647 54.840 -0.018 0.000 0.757 377 L CB -0.958 41.125 42.059 0.040 0.000 0.899 377 L HN 0.323 nan 8.230 nan 0.000 0.434 378 D N -1.169 119.223 120.400 -0.014 0.000 2.097 378 D HA -0.132 4.503 4.640 -0.009 0.000 0.197 378 D C 2.090 178.352 176.300 -0.063 0.000 0.984 378 D CA 1.890 55.863 54.000 -0.045 0.000 0.826 378 D CB -0.343 40.428 40.800 -0.050 0.000 0.973 378 D HN 0.333 nan 8.370 nan 0.000 0.460 379 T N 1.144 115.690 114.554 -0.014 0.000 2.788 379 T HA -0.111 4.233 4.350 -0.009 0.000 0.268 379 T C 1.846 176.616 174.700 0.118 0.000 1.044 379 T CA 0.330 62.464 62.100 0.057 0.000 1.139 379 T CB -0.221 68.727 68.868 0.133 0.000 0.867 379 T HN -0.010 nan 8.240 nan 0.000 0.454 380 L N 1.230 122.471 121.223 0.030 0.000 2.046 380 L HA 0.018 4.353 4.340 -0.009 0.000 0.208 380 L C 2.435 179.424 176.870 0.199 0.000 1.077 380 L CA 1.664 56.500 54.840 -0.006 0.000 0.747 380 L CB -0.490 41.420 42.059 -0.249 0.000 0.896 380 L HN 0.112 nan 8.230 nan 0.000 0.432 381 R N -1.311 119.256 120.500 0.111 0.000 2.115 381 R HA -0.040 4.294 4.340 -0.009 0.000 0.226 381 R C 2.191 178.546 176.300 0.092 0.000 1.100 381 R CA 0.877 57.041 56.100 0.106 0.000 0.980 381 R CB -0.191 30.123 30.300 0.023 0.000 0.875 381 R HN 0.301 nan 8.270 nan 0.000 0.445 382 R N 0.064 120.602 120.500 0.064 0.000 2.237 382 R HA -0.031 4.304 4.340 -0.009 0.000 0.219 382 R C 1.987 178.537 176.300 0.417 0.000 1.080 382 R CA 0.619 56.780 56.100 0.102 0.000 0.995 382 R CB -0.014 29.991 30.300 -0.492 0.000 0.875 382 R HN 0.048 nan 8.270 nan 0.000 0.462 383 V N 0.991 121.154 119.914 0.414 0.000 2.379 383 V HA -0.195 3.920 4.120 -0.009 0.000 0.245 383 V C 1.940 178.180 176.094 0.242 0.000 1.044 383 V CA 1.640 64.180 62.300 0.399 0.000 1.036 383 V CB -0.219 31.810 31.823 0.343 0.000 0.664 383 V HN 0.244 nan 8.190 nan 0.000 0.453 384 K N -1.177 119.318 120.400 0.159 0.000 2.305 384 K HA -0.060 4.255 4.320 -0.009 0.000 0.199 384 K C 2.098 178.660 176.600 -0.064 0.000 1.047 384 K CA 1.190 57.469 56.287 -0.013 0.000 0.976 384 K CB -0.231 32.197 32.500 -0.119 0.000 0.765 384 K HN 0.518 nan 8.250 nan 0.000 0.474 385 C N -0.221 119.025 119.300 -0.090 0.000 2.504 385 C HA 0.129 4.583 4.460 -0.009 0.000 0.279 385 C C 1.806 176.514 174.990 -0.470 0.000 1.358 385 C CA 0.101 58.918 59.018 -0.334 0.000 1.747 385 C CB -0.456 26.971 27.740 -0.523 0.000 2.037 385 C HN 0.314 nan 8.230 nan 0.000 0.503 386 F N 0.560 120.603 119.950 0.154 0.000 2.532 386 F HA 0.474 4.996 4.527 -0.009 0.000 0.276 386 F C 1.792 177.741 175.800 0.248 0.000 0.911 386 F CA 1.098 59.228 58.000 0.217 0.000 1.196 386 F CB -1.217 37.937 39.000 0.256 0.000 1.087 386 F HN 0.344 nan 8.300 nan 0.000 0.775 387 G N 1.018 110.146 108.800 0.546 0.000 2.697 387 G HA2 -0.257 3.698 3.960 -0.009 0.000 0.240 387 G HA3 -0.257 3.698 3.960 -0.009 0.000 0.240 387 G C 0.793 175.857 174.900 0.272 0.000 1.346 387 G CA -0.187 45.095 45.100 0.304 0.000 0.887 387 G HN 0.214 nan 8.290 nan 0.000 0.569 388 V N 2.291 122.248 119.914 0.073 0.000 2.282 388 V HA -0.153 3.962 4.120 -0.009 0.000 0.249 388 V C 0.786 176.949 176.094 0.116 0.000 1.057 388 V CA 3.050 65.380 62.300 0.050 0.000 1.032 388 V CB -1.259 30.567 31.823 0.005 0.000 0.645 388 V HN 0.800 nan 8.190 nan 0.000 0.447 389 P HA 0.007 nan 4.420 nan 0.000 0.236 389 P C 1.272 178.674 177.300 0.170 0.000 1.177 389 P CA 0.878 64.060 63.100 0.137 0.000 0.773 389 P CB 0.664 32.439 31.700 0.126 0.000 0.878 390 L N -2.850 118.520 121.223 0.246 0.000 3.246 390 L HA -0.203 4.131 4.340 -0.009 0.000 0.368 390 L C -0.494 176.622 176.870 0.410 0.000 3.893 390 L CA 1.866 56.892 54.840 0.309 0.000 1.714 390 L CB -1.507 40.604 42.059 0.086 0.000 3.108 390 L HN -0.088 nan 8.230 nan 0.000 0.819 391 V N 1.568 121.675 119.914 0.321 0.000 2.567 391 V HA 0.463 4.578 4.120 -0.009 0.000 0.298 391 V C 0.370 176.619 176.094 0.258 0.000 1.047 391 V CA -0.612 61.888 62.300 0.333 0.000 0.880 391 V CB 1.657 33.708 31.823 0.381 0.000 1.009 391 V HN 0.347 nan 8.190 nan 0.000 0.429 392 R N 3.730 124.349 120.500 0.199 0.000 2.863 392 R HA 0.575 4.909 4.340 -0.009 0.000 0.273 392 R C -0.211 176.200 176.300 0.185 0.000 1.057 392 R CA -0.059 56.136 56.100 0.158 0.000 1.191 392 R CB 0.634 30.995 30.300 0.102 0.000 1.104 392 R HN 0.788 nan 8.270 nan 0.000 0.519 393 I N -2.649 118.021 120.570 0.166 0.000 2.969 393 I HA 0.484 4.649 4.170 -0.009 0.000 0.307 393 I C -1.229 174.978 176.117 0.151 0.000 1.149 393 I CA -1.155 60.261 61.300 0.193 0.000 1.008 393 I CB 2.627 40.733 38.000 0.177 0.000 1.232 393 I HN 0.235 nan 8.210 nan 0.000 0.435 394 D N 3.832 124.339 120.400 0.179 0.000 2.228 394 D HA 0.565 5.199 4.640 -0.009 0.000 0.247 394 D C -0.565 175.649 176.300 -0.143 0.000 0.995 394 D CA -0.117 53.921 54.000 0.063 0.000 0.903 394 D CB 2.461 43.371 40.800 0.183 0.000 1.205 394 D HN 0.303 nan 8.370 nan 0.000 0.459 395 I N 1.236 121.646 120.570 -0.268 0.000 2.412 395 I HA 0.369 4.534 4.170 -0.009 0.000 0.296 395 I C 0.233 175.971 176.117 -0.632 0.000 0.987 395 I CA -0.539 60.475 61.300 -0.476 0.000 1.180 395 I CB 1.296 38.912 38.000 -0.640 0.000 1.340 395 I HN 0.166 nan 8.210 nan 0.000 0.455 396 R N 4.791 124.946 120.500 -0.575 0.000 2.538 396 R HA 0.558 4.893 4.340 -0.009 0.000 0.292 396 R C -1.533 174.590 176.300 -0.296 0.000 1.008 396 R CA -0.482 55.343 56.100 -0.459 0.000 0.896 396 R CB 2.334 32.236 30.300 -0.662 0.000 1.187 396 R HN 0.682 nan 8.270 nan 0.000 0.440 397 Q N 2.029 121.767 119.800 -0.104 0.000 2.462 397 Q HA 0.220 4.555 4.340 -0.009 0.000 0.285 397 Q C -1.507 174.447 176.000 -0.077 0.000 1.035 397 Q CA -0.742 55.020 55.803 -0.070 0.000 0.799 397 Q CB 1.816 30.574 28.738 0.033 0.000 1.452 397 Q HN 0.657 nan 8.270 nan 0.000 0.404 398 E N 0.621 120.717 120.200 -0.172 0.000 2.343 398 E HA 0.277 4.621 4.350 -0.009 0.000 0.269 398 E C 0.159 176.596 176.600 -0.271 0.000 1.047 398 E CA 0.278 56.588 56.400 -0.150 0.000 0.874 398 E CB 1.204 30.841 29.700 -0.104 0.000 1.033 398 E HN 0.750 nan 8.360 nan 0.000 0.409 399 S N 2.880 118.529 115.700 -0.085 0.000 2.380 399 S HA -0.276 4.189 4.470 -0.009 0.000 0.229 399 S C 1.724 176.301 174.600 -0.038 0.000 1.043 399 S CA 1.902 60.114 58.200 0.021 0.000 1.038 399 S CB -0.993 62.252 63.200 0.075 0.000 0.872 399 S HN 0.663 nan 8.310 nan 0.000 0.456 400 T N 2.375 116.895 114.554 -0.057 0.000 2.665 400 T HA -0.098 4.246 4.350 -0.009 0.000 0.268 400 T C 2.052 176.716 174.700 -0.060 0.000 1.035 400 T CA 1.565 63.644 62.100 -0.035 0.000 1.151 400 T CB -0.321 68.525 68.868 -0.036 0.000 0.862 400 T HN 0.342 nan 8.240 nan 0.000 0.438 401 R N 0.394 120.799 120.500 -0.158 0.000 2.096 401 R HA -0.047 4.287 4.340 -0.009 0.000 0.235 401 R C 2.149 178.407 176.300 -0.070 0.000 1.127 401 R CA 1.488 57.502 56.100 -0.144 0.000 0.968 401 R CB -0.856 29.319 30.300 -0.208 0.000 0.861 401 R HN 0.684 nan 8.270 nan 0.000 0.440 402 H N -0.813 118.271 119.070 0.024 0.000 2.357 402 H HA -0.011 4.539 4.556 -0.009 0.000 0.301 402 H C 1.999 177.323 175.328 -0.007 0.000 1.082 402 H CA 1.529 57.580 56.048 0.005 0.000 1.342 402 H CB 0.046 29.808 29.762 -0.000 0.000 1.389 402 H HN 0.105 nan 8.280 nan 0.000 0.511 403 T N 0.676 115.323 114.554 0.155 0.000 2.674 403 T HA -0.158 4.187 4.350 -0.009 0.000 0.265 403 T C 1.753 176.513 174.700 0.100 0.000 1.039 403 T CA 1.580 63.786 62.100 0.177 0.000 1.150 403 T CB -0.195 68.791 68.868 0.197 0.000 0.864 403 T HN 0.454 nan 8.240 nan 0.000 0.427 404 E N 0.889 121.123 120.200 0.057 0.000 2.110 404 E HA -0.063 4.281 4.350 -0.009 0.000 0.193 404 E C 2.463 179.081 176.600 0.030 0.000 0.988 404 E CA 0.961 57.380 56.400 0.031 0.000 0.804 404 E CB -0.186 29.519 29.700 0.007 0.000 0.745 404 E HN 0.475 nan 8.360 nan 0.000 0.458 405 A N 0.715 123.558 122.820 0.037 0.000 1.929 405 A HA -0.123 4.191 4.320 -0.009 0.000 0.216 405 A C 2.061 179.684 177.584 0.064 0.000 1.176 405 A CA 0.815 52.891 52.037 0.065 0.000 0.628 405 A CB -0.278 18.770 19.000 0.080 0.000 0.816 405 A HN 0.122 nan 8.150 nan 0.000 0.444 406 L N -0.130 121.066 121.223 -0.045 0.000 2.109 406 L HA 0.019 4.353 4.340 -0.009 0.000 0.207 406 L C 2.584 179.351 176.870 -0.172 0.000 1.086 406 L CA 1.845 56.569 54.840 -0.193 0.000 0.760 406 L CB -1.152 40.566 42.059 -0.568 0.000 0.910 406 L HN 0.368 nan 8.230 nan 0.000 0.437 407 G N -1.533 107.216 108.800 -0.085 0.000 2.422 407 G HA2 -0.287 3.668 3.960 -0.009 0.000 0.218 407 G HA3 -0.287 3.668 3.960 -0.009 0.000 0.218 407 G C 1.547 176.431 174.900 -0.028 0.000 1.146 407 G CA 0.752 45.811 45.100 -0.068 0.000 0.769 407 G HN 0.474 nan 8.290 nan 0.000 0.547 408 E N -0.361 119.875 120.200 0.060 0.000 2.072 408 E HA -0.075 4.270 4.350 -0.009 0.000 0.190 408 E C 2.352 179.113 176.600 0.268 0.000 0.982 408 E CA 0.605 57.107 56.400 0.170 0.000 0.803 408 E CB -0.160 29.657 29.700 0.196 0.000 0.755 408 E HN 0.302 nan 8.360 nan 0.000 0.453 409 L N 1.001 122.342 121.223 0.197 0.000 2.017 409 L HA -0.159 4.176 4.340 -0.009 0.000 0.208 409 L C 2.493 179.322 176.870 -0.069 0.000 1.073 409 L CA 2.643 57.456 54.840 -0.046 0.000 0.745 409 L CB -1.006 40.995 42.059 -0.097 0.000 0.894 409 L HN 0.312 nan 8.230 nan 0.000 0.432 410 T N -3.074 111.429 114.554 -0.086 0.000 2.821 410 T HA -0.174 4.171 4.350 -0.009 0.000 0.267 410 T C 2.031 176.694 174.700 -0.061 0.000 1.046 410 T CA 1.198 63.225 62.100 -0.123 0.000 1.139 410 T CB -0.526 68.150 68.868 -0.320 0.000 0.871 410 T HN 0.383 nan 8.240 nan 0.000 0.454 411 R N -0.401 120.084 120.500 -0.025 0.000 2.092 411 R HA 0.003 4.337 4.340 -0.009 0.000 0.231 411 R C 2.334 178.676 176.300 0.070 0.000 1.119 411 R CA 1.375 57.485 56.100 0.017 0.000 0.970 411 R CB -0.557 29.764 30.300 0.034 0.000 0.864 411 R HN 0.501 nan 8.270 nan 0.000 0.440 412 Y N 1.409 121.706 120.300 -0.005 0.000 2.200 412 Y HA -0.103 4.443 4.550 -0.006 0.000 0.290 412 Y C 1.749 177.603 175.900 -0.076 0.000 1.137 412 Y CA 1.317 59.416 58.100 -0.001 0.000 1.163 412 Y CB -0.105 38.359 38.460 0.007 0.000 0.988 412 Y HN -0.064 nan 8.280 nan 0.000 0.518 413 L N -0.545 120.589 121.223 -0.148 0.000 2.552 413 L HA 0.102 4.437 4.340 -0.009 0.000 0.227 413 L C 1.844 178.631 176.870 -0.140 0.000 1.146 413 L CA 0.845 55.565 54.840 -0.201 0.000 0.858 413 L CB -0.712 41.290 42.059 -0.095 0.000 0.969 413 L HN 0.541 nan 8.230 nan 0.000 0.451 414 G N 0.202 108.944 108.800 -0.095 0.000 2.159 414 G HA2 -0.312 3.642 3.960 -0.009 0.000 0.256 414 G HA3 -0.312 3.642 3.960 -0.009 0.000 0.256 414 G C 0.819 175.719 174.900 -0.001 0.000 0.977 414 G CA 0.516 45.585 45.100 -0.051 0.000 0.652 414 G HN 0.384 nan 8.290 nan 0.000 0.531 415 I N 0.443 121.025 120.570 0.019 0.000 2.439 415 I HA 0.332 4.496 4.170 -0.009 0.000 0.251 415 I C 1.791 178.016 176.117 0.180 0.000 1.139 415 I CA 1.582 62.932 61.300 0.084 0.000 1.438 415 I CB -0.221 37.838 38.000 0.098 0.000 1.085 415 I HN 0.856 nan 8.210 nan 0.000 0.427 416 G N 0.288 109.174 108.800 0.143 0.000 2.320 416 G HA2 -0.049 3.906 3.960 -0.009 0.000 0.274 416 G HA3 -0.049 3.906 3.960 -0.009 0.000 0.274 416 G C -1.906 172.950 174.900 -0.072 0.000 1.324 416 G CA -0.599 44.633 45.100 0.220 0.000 0.957 416 G HN 0.051 nan 8.290 nan 0.000 0.481 417 D N -1.142 119.101 120.400 -0.261 0.000 2.464 417 D HA 0.500 5.134 4.640 -0.009 0.000 0.243 417 D C 0.816 176.341 176.300 -1.292 0.000 1.104 417 D CA -0.685 52.981 54.000 -0.557 0.000 0.883 417 D CB 0.693 41.336 40.800 -0.262 0.000 1.050 417 D HN 0.444 nan 8.370 nan 0.000 0.524 418 Y N 3.197 122.577 120.300 -1.532 0.000 2.102 418 Y HA -0.253 4.288 4.550 -0.015 0.000 0.280 418 Y C 1.643 177.118 175.900 -0.709 0.000 1.178 418 Y CA 2.031 59.262 58.100 -1.449 0.000 1.146 418 Y CB 0.201 38.208 38.460 -0.755 0.000 0.968 418 Y HN 0.505 nan 8.280 nan 0.000 0.504 419 E N -0.883 119.127 120.200 -0.316 0.000 2.267 419 E HA -0.189 4.156 4.350 -0.009 0.000 0.197 419 E C 1.822 178.294 176.600 -0.212 0.000 0.998 419 E CA 1.280 57.571 56.400 -0.181 0.000 0.830 419 E CB -0.203 29.446 29.700 -0.085 0.000 0.751 419 E HN 0.564 nan 8.360 nan 0.000 0.491 420 S N -0.910 114.615 115.700 -0.291 0.000 2.539 420 S HA 0.062 4.527 4.470 -0.009 0.000 0.221 420 S C 0.013 174.623 174.600 0.018 0.000 0.987 420 S CA -0.774 57.352 58.200 -0.123 0.000 0.929 420 S CB 0.082 63.240 63.200 -0.071 0.000 0.832 420 S HN 0.104 nan 8.310 nan 0.000 0.492 421 W N 3.804 125.004 121.300 -0.166 0.000 2.313 421 W HA 0.593 5.252 4.660 -0.002 0.000 0.328 421 W C 0.953 177.373 176.519 -0.164 0.000 1.197 421 W CA -1.845 55.400 57.345 -0.167 0.000 1.235 421 W CB 0.579 29.910 29.460 -0.216 0.000 1.158 421 W HN 0.296 nan 8.180 nan 0.000 0.578 422 S N 0.354 116.130 115.700 0.126 0.000 2.596 422 S HA -0.057 4.408 4.470 -0.009 0.000 0.260 422 S C 1.120 175.736 174.600 0.027 0.000 1.336 422 S CA -0.011 58.215 58.200 0.043 0.000 0.993 422 S CB 1.123 64.335 63.200 0.020 0.000 0.923 422 S HN 0.460 nan 8.310 nan 0.000 0.567 423 E N 1.446 121.654 120.200 0.012 0.000 2.085 423 E HA -0.139 4.206 4.350 -0.009 0.000 0.194 423 E C 2.069 178.684 176.600 0.024 0.000 0.994 423 E CA 1.968 58.377 56.400 0.015 0.000 0.801 423 E CB -1.017 28.695 29.700 0.019 0.000 0.743 423 E HN 0.781 nan 8.360 nan 0.000 0.453 424 A N 0.892 123.720 122.820 0.012 0.000 1.883 424 A HA -0.217 4.098 4.320 -0.009 0.000 0.217 424 A C 1.968 179.551 177.584 -0.003 0.000 1.186 424 A CA 1.988 54.026 52.037 0.003 0.000 0.624 424 A CB -0.826 18.166 19.000 -0.012 0.000 0.822 424 A HN 0.317 nan 8.150 nan 0.000 0.444 425 D N -0.179 120.206 120.400 -0.025 0.000 2.117 425 D HA -0.129 4.506 4.640 -0.009 0.000 0.197 425 D C 1.922 178.253 176.300 0.051 0.000 0.987 425 D CA 1.425 55.370 54.000 -0.091 0.000 0.829 425 D CB -0.312 40.350 40.800 -0.230 0.000 0.961 425 D HN 0.514 nan 8.370 nan 0.000 0.460 426 K N 0.532 121.021 120.400 0.149 0.000 2.026 426 K HA -0.144 4.171 4.320 -0.009 0.000 0.208 426 K C 2.311 179.093 176.600 0.303 0.000 1.048 426 K CA 1.019 57.473 56.287 0.279 0.000 0.929 426 K CB -0.137 32.370 32.500 0.012 0.000 0.713 426 K HN 0.197 nan 8.250 nan 0.000 0.439 427 Q N 0.174 120.064 119.800 0.150 0.000 2.096 427 Q HA -0.181 4.153 4.340 -0.009 0.000 0.204 427 Q C 2.228 178.262 176.000 0.057 0.000 0.982 427 Q CA 1.574 57.434 55.803 0.095 0.000 0.850 427 Q CB -0.252 28.515 28.738 0.048 0.000 0.901 427 Q HN 0.361 nan 8.270 nan 0.000 0.422 428 A N 0.844 123.692 122.820 0.047 0.000 1.865 428 A HA -0.232 4.083 4.320 -0.009 0.000 0.217 428 A C 1.897 179.493 177.584 0.020 0.000 1.191 428 A CA 1.543 53.582 52.037 0.003 0.000 0.623 428 A CB -0.968 18.014 19.000 -0.029 0.000 0.826 428 A HN 0.482 nan 8.150 nan 0.000 0.444 429 F N 0.659 120.601 119.950 -0.013 0.000 2.095 429 F HA -0.166 4.344 4.527 -0.029 0.000 0.298 429 F C 1.899 177.734 175.800 0.058 0.000 1.104 429 F CA 1.886 59.916 58.000 0.052 0.000 1.232 429 F CB -0.449 38.708 39.000 0.260 0.000 0.987 429 F HN 0.143 nan 8.300 nan 0.000 0.475 430 L N -0.076 121.056 121.223 -0.152 0.000 2.046 430 L HA -0.216 4.119 4.340 -0.009 0.000 0.208 430 L C 2.519 179.162 176.870 -0.379 0.000 1.077 430 L CA 1.397 56.058 54.840 -0.297 0.000 0.747 430 L CB -0.677 41.379 42.059 -0.006 0.000 0.896 430 L HN 0.181 nan 8.230 nan 0.000 0.432 431 I N -0.684 119.711 120.570 -0.292 0.000 2.315 431 I HA -0.262 3.903 4.170 -0.009 0.000 0.248 431 I C 2.845 178.710 176.117 -0.420 0.000 1.117 431 I CA 0.967 62.028 61.300 -0.399 0.000 1.404 431 I CB -0.349 37.509 38.000 -0.237 0.000 1.071 431 I HN 0.257 nan 8.210 nan 0.000 0.419 432 R N 1.081 121.389 120.500 -0.320 0.000 2.073 432 R HA -0.176 4.159 4.340 -0.009 0.000 0.234 432 R C 2.046 178.154 176.300 -0.319 0.000 1.134 432 R CA 1.499 57.439 56.100 -0.268 0.000 0.952 432 R CB -0.023 30.163 30.300 -0.190 0.000 0.850 432 R HN 0.217 nan 8.270 nan 0.000 0.433 433 E N 0.729 120.660 120.200 -0.447 0.000 2.274 433 E HA -0.108 4.237 4.350 -0.009 0.000 0.194 433 E C 2.037 178.432 176.600 -0.342 0.000 0.996 433 E CA 0.600 56.759 56.400 -0.402 0.000 0.840 433 E CB -0.063 29.294 29.700 -0.573 0.000 0.772 433 E HN 0.407 nan 8.360 nan 0.000 0.491 434 L N 0.922 121.877 121.223 -0.445 0.000 2.217 434 L HA -0.082 4.252 4.340 -0.009 0.000 0.211 434 L C 1.811 178.457 176.870 -0.374 0.000 1.107 434 L CA 0.718 55.274 54.840 -0.473 0.000 0.783 434 L CB -0.112 41.402 42.059 -0.909 0.000 0.919 434 L HN 0.048 nan 8.230 nan 0.000 0.442 435 N N -1.067 117.404 118.700 -0.381 0.000 2.373 435 N HA -0.018 4.716 4.740 -0.009 0.000 0.181 435 N C 0.752 176.200 175.510 -0.104 0.000 1.082 435 N CA 0.126 53.060 53.050 -0.193 0.000 0.885 435 N CB 0.385 38.755 38.487 -0.196 0.000 0.977 435 N HN 0.064 nan 8.380 nan 0.000 0.462 436 S N 0.592 116.213 115.700 -0.132 0.000 2.564 436 S HA 0.135 4.600 4.470 -0.009 0.000 0.278 436 S C 1.042 175.610 174.600 -0.053 0.000 1.333 436 S CA -0.095 58.052 58.200 -0.087 0.000 1.048 436 S CB 0.996 64.134 63.200 -0.104 0.000 0.900 436 S HN 0.083 nan 8.310 nan 0.000 0.505 437 K N 1.710 122.090 120.400 -0.033 0.000 2.361 437 K HA 0.105 4.420 4.320 -0.009 0.000 0.194 437 K C 0.532 177.121 176.600 -0.018 0.000 1.032 437 K CA -0.009 56.267 56.287 -0.018 0.000 1.048 437 K CB 0.212 32.707 32.500 -0.008 0.000 0.842 437 K HN 0.586 nan 8.250 nan 0.000 0.526 438 R N 2.575 123.061 120.500 -0.023 0.000 2.265 438 R HA 0.158 4.493 4.340 -0.009 0.000 0.314 438 R C -2.451 173.836 176.300 -0.022 0.000 1.053 438 R CA -1.650 54.439 56.100 -0.018 0.000 0.931 438 R CB 0.199 30.490 30.300 -0.016 0.000 1.024 438 R HN -0.176 nan 8.270 nan 0.000 0.457 439 P HA -0.082 nan 4.420 nan 0.000 0.270 439 P C -0.455 176.834 177.300 -0.019 0.000 1.227 439 P CA -0.222 62.868 63.100 -0.016 0.000 0.788 439 P CB 0.763 32.459 31.700 -0.006 0.000 0.926 440 L N 0.769 121.979 121.223 -0.022 0.000 2.624 440 L HA 0.306 4.640 4.340 -0.009 0.000 0.222 440 L C 0.634 177.474 176.870 -0.050 0.000 1.046 440 L CA 0.384 55.212 54.840 -0.021 0.000 0.872 440 L CB -0.281 41.774 42.059 -0.008 0.000 1.190 440 L HN 0.147 nan 8.230 nan 0.000 0.487 441 L N 2.578 123.775 121.223 -0.043 0.000 2.418 441 L HA 0.352 4.687 4.340 -0.009 0.000 0.274 441 L C -1.997 174.846 176.870 -0.046 0.000 1.135 441 L CA -1.327 53.478 54.840 -0.058 0.000 0.870 441 L CB -0.122 41.942 42.059 0.009 0.000 1.154 441 L HN 0.058 nan 8.230 nan 0.000 0.462 442 P HA 0.206 nan 4.420 nan 0.000 0.268 442 P C 0.551 177.890 177.300 0.065 0.000 1.205 442 P CA 0.131 63.215 63.100 -0.026 0.000 0.771 442 P CB 0.587 32.229 31.700 -0.097 0.000 0.858 443 R N 2.724 123.267 120.500 0.071 0.000 2.062 443 R HA -0.062 4.272 4.340 -0.009 0.000 0.231 443 R C 0.843 177.208 176.300 0.108 0.000 1.136 443 R CA 1.538 57.685 56.100 0.079 0.000 0.948 443 R CB -1.241 29.095 30.300 0.060 0.000 0.845 443 R HN 0.547 nan 8.270 nan 0.000 0.430 444 N N -0.477 118.299 118.700 0.126 0.000 2.707 444 N HA 0.200 4.935 4.740 -0.009 0.000 0.235 444 N C -2.019 173.619 175.510 0.214 0.000 1.028 444 N CA -0.350 52.782 53.050 0.136 0.000 0.906 444 N CB 0.892 39.441 38.487 0.104 0.000 1.131 444 N HN 0.556 nan 8.380 nan 0.000 0.509 445 W N 1.689 122.949 121.300 -0.067 0.000 2.785 445 W HA 0.307 4.969 4.660 0.002 0.000 0.333 445 W C -0.433 175.990 176.519 -0.161 0.000 1.062 445 W CA -0.824 56.411 57.345 -0.182 0.000 1.233 445 W CB 1.216 30.522 29.460 -0.256 0.000 1.413 445 W HN 0.258 nan 8.180 nan 0.000 0.489 446 Q N 7.029 126.576 119.800 -0.421 0.000 2.788 446 Q HA 0.359 4.693 4.340 -0.009 0.000 0.285 446 Q C -2.224 173.311 176.000 -0.774 0.000 1.063 446 Q CA -1.719 53.812 55.803 -0.453 0.000 0.958 446 Q CB 0.507 29.123 28.738 -0.203 0.000 1.211 446 Q HN 0.165 nan 8.270 nan 0.000 0.478 447 P HA 0.152 nan 4.420 nan 0.000 0.277 447 P C -0.372 176.595 177.300 -0.556 0.000 1.271 447 P CA -0.301 62.096 63.100 -1.172 0.000 0.795 447 P CB 0.971 31.628 31.700 -1.738 0.000 1.101 448 S N -0.605 114.864 115.700 -0.385 0.000 2.580 448 S HA 0.205 4.670 4.470 -0.009 0.000 0.266 448 S C 1.554 176.034 174.600 -0.200 0.000 1.354 448 S CA 0.022 58.087 58.200 -0.224 0.000 1.008 448 S CB -0.094 63.018 63.200 -0.147 0.000 0.898 448 S HN 0.608 nan 8.310 nan 0.000 0.555 449 A N 1.143 123.879 122.820 -0.140 0.000 1.859 449 A HA -0.160 4.155 4.320 -0.009 0.000 0.217 449 A C 2.174 179.699 177.584 -0.099 0.000 1.198 449 A CA 1.948 53.918 52.037 -0.112 0.000 0.629 449 A CB -1.388 17.562 19.000 -0.083 0.000 0.830 449 A HN 0.972 nan 8.150 nan 0.000 0.446 450 E N -1.175 118.974 120.200 -0.084 0.000 2.058 450 E HA -0.155 4.190 4.350 -0.009 0.000 0.194 450 E C 2.172 178.734 176.600 -0.063 0.000 0.997 450 E CA 1.725 58.086 56.400 -0.065 0.000 0.801 450 E CB -0.327 29.340 29.700 -0.055 0.000 0.746 450 E HN 0.636 nan 8.360 nan 0.000 0.450 451 T N 0.570 115.072 114.554 -0.087 0.000 2.788 451 T HA -0.185 4.160 4.350 -0.009 0.000 0.268 451 T C 1.811 176.459 174.700 -0.086 0.000 1.044 451 T CA 1.278 63.332 62.100 -0.076 0.000 1.139 451 T CB -0.171 68.621 68.868 -0.128 0.000 0.867 451 T HN 0.137 nan 8.240 nan 0.000 0.454 452 R N 0.818 121.231 120.500 -0.145 0.000 2.081 452 R HA -0.106 4.229 4.340 -0.009 0.000 0.235 452 R C 2.354 178.623 176.300 -0.051 0.000 1.131 452 R CA 1.220 57.246 56.100 -0.123 0.000 0.960 452 R CB -0.061 30.146 30.300 -0.155 0.000 0.856 452 R HN 0.190 nan 8.270 nan 0.000 0.436 453 E N 0.151 120.325 120.200 -0.044 0.000 2.077 453 E HA -0.143 4.201 4.350 -0.009 0.000 0.193 453 E C 1.993 178.602 176.600 0.016 0.000 0.989 453 E CA 1.229 57.618 56.400 -0.018 0.000 0.800 453 E CB -0.171 29.513 29.700 -0.026 0.000 0.746 453 E HN 0.199 nan 8.360 nan 0.000 0.452 454 V N 1.209 121.141 119.914 0.030 0.000 2.407 454 V HA -0.234 3.880 4.120 -0.009 0.000 0.248 454 V C 2.503 178.654 176.094 0.094 0.000 1.055 454 V CA 1.300 63.654 62.300 0.090 0.000 1.049 454 V CB -0.437 31.453 31.823 0.113 0.000 0.662 454 V HN 0.207 nan 8.190 nan 0.000 0.455 455 L N -0.511 120.750 121.223 0.064 0.000 2.072 455 L HA -0.108 4.226 4.340 -0.009 0.000 0.205 455 L C 2.357 179.262 176.870 0.058 0.000 1.079 455 L CA 1.333 56.215 54.840 0.070 0.000 0.752 455 L CB -0.661 41.445 42.059 0.078 0.000 0.906 455 L HN 0.309 nan 8.230 nan 0.000 0.436 456 D N -0.497 119.926 120.400 0.039 0.000 2.117 456 D HA -0.141 4.494 4.640 -0.009 0.000 0.198 456 D C 2.163 178.491 176.300 0.048 0.000 0.982 456 D CA 1.520 55.541 54.000 0.035 0.000 0.828 456 D CB -0.227 40.583 40.800 0.016 0.000 0.967 456 D HN 0.208 nan 8.370 nan 0.000 0.464 457 T N 0.296 114.881 114.554 0.052 0.000 2.665 457 T HA -0.176 4.169 4.350 -0.009 0.000 0.268 457 T C 2.229 176.979 174.700 0.084 0.000 1.035 457 T CA 1.100 63.235 62.100 0.058 0.000 1.151 457 T CB -0.577 68.326 68.868 0.057 0.000 0.862 457 T HN 0.243 nan 8.240 nan 0.000 0.438 458 C N 1.126 120.489 119.300 0.105 0.000 2.419 458 C HA -0.037 4.418 4.460 -0.009 0.000 0.281 458 C C 2.853 177.886 174.990 0.071 0.000 1.336 458 C CA 0.431 59.511 59.018 0.104 0.000 1.770 458 C CB -1.114 26.673 27.740 0.079 0.000 1.929 458 C HN 0.607 nan 8.230 nan 0.000 0.509 459 Q N 0.404 120.242 119.800 0.064 0.000 2.172 459 Q HA -0.120 4.214 4.340 -0.009 0.000 0.200 459 Q C 2.176 178.217 176.000 0.068 0.000 0.964 459 Q CA 1.300 57.137 55.803 0.058 0.000 0.855 459 Q CB 0.089 28.859 28.738 0.053 0.000 0.918 459 Q HN 0.553 nan 8.270 nan 0.000 0.444 460 V N 0.902 120.860 119.914 0.072 0.000 2.358 460 V HA -0.276 3.838 4.120 -0.009 0.000 0.246 460 V C 2.184 178.338 176.094 0.101 0.000 1.047 460 V CA 1.541 63.890 62.300 0.081 0.000 1.035 460 V CB -0.438 31.427 31.823 0.071 0.000 0.658 460 V HN 0.383 nan 8.190 nan 0.000 0.452 461 I N 0.660 121.291 120.570 0.102 0.000 2.226 461 I HA -0.241 3.923 4.170 -0.009 0.000 0.245 461 I C 2.597 178.802 176.117 0.146 0.000 1.100 461 I CA 1.601 62.979 61.300 0.131 0.000 1.374 461 I CB -0.550 37.527 38.000 0.128 0.000 1.057 461 I HN 0.286 nan 8.210 nan 0.000 0.413 462 A N 0.118 122.989 122.820 0.085 0.000 2.014 462 A HA -0.152 4.162 4.320 -0.009 0.000 0.218 462 A C 2.175 179.835 177.584 0.126 0.000 1.163 462 A CA 1.351 53.424 52.037 0.061 0.000 0.652 462 A CB -0.377 18.630 19.000 0.012 0.000 0.808 462 A HN 0.443 nan 8.150 nan 0.000 0.449 463 E N 0.003 120.277 120.200 0.123 0.000 2.122 463 E HA 0.224 4.568 4.350 -0.009 0.000 0.190 463 E C 1.032 177.721 176.600 0.150 0.000 0.977 463 E CA 0.200 56.677 56.400 0.127 0.000 0.820 463 E CB -0.145 29.621 29.700 0.109 0.000 0.770 463 E HN 0.566 nan 8.360 nan 0.000 0.462 464 A N 2.785 125.699 122.820 0.158 0.000 2.531 464 A HA 0.136 4.450 4.320 -0.009 0.000 0.236 464 A C -2.226 175.449 177.584 0.152 0.000 1.062 464 A CA -1.019 51.111 52.037 0.153 0.000 0.760 464 A CB -0.291 18.798 19.000 0.149 0.000 0.995 464 A HN -0.093 nan 8.150 nan 0.000 0.501 465 P HA 0.021 nan 4.420 nan 0.000 0.266 465 P C -0.290 177.001 177.300 -0.014 0.000 1.193 465 P CA 0.058 63.190 63.100 0.053 0.000 0.770 465 P CB 0.337 32.062 31.700 0.043 0.000 0.836 466 Q N 1.478 121.192 119.800 -0.144 0.000 2.271 466 Q HA 0.291 4.625 4.340 -0.009 0.000 0.273 466 Q C 0.973 176.802 176.000 -0.285 0.000 1.051 466 Q CA 1.081 56.604 55.803 -0.467 0.000 0.901 466 Q CB -0.469 27.862 28.738 -0.678 0.000 1.174 466 Q HN 0.812 nan 8.270 nan 0.000 0.385 467 G N 2.155 110.811 108.800 -0.240 0.000 2.205 467 G HA2 -0.204 3.750 3.960 -0.009 0.000 0.180 467 G HA3 -0.204 3.750 3.960 -0.009 0.000 0.180 467 G C 0.794 175.682 174.900 -0.021 0.000 1.004 467 G CA 0.210 45.240 45.100 -0.117 0.000 0.670 467 G HN 0.591 nan 8.290 nan 0.000 0.496 468 S N -0.218 115.490 115.700 0.013 0.000 2.388 468 S HA 0.321 4.786 4.470 -0.009 0.000 0.223 468 S C 0.967 175.623 174.600 0.093 0.000 1.034 468 S CA 0.702 58.945 58.200 0.072 0.000 0.963 468 S CB 0.146 63.403 63.200 0.094 0.000 0.827 468 S HN 0.400 nan 8.310 nan 0.000 0.481 469 I N 1.254 121.885 120.570 0.103 0.000 2.336 469 I HA 0.392 4.556 4.170 -0.009 0.000 0.292 469 I C 1.000 177.179 176.117 0.102 0.000 0.991 469 I CA -0.492 60.877 61.300 0.115 0.000 1.227 469 I CB 0.933 39.021 38.000 0.147 0.000 1.366 469 I HN 0.073 nan 8.210 nan 0.000 0.466 470 A N 5.198 128.068 122.820 0.084 0.000 1.887 470 A HA 0.635 4.950 4.320 -0.009 0.000 0.212 470 A C 0.961 178.582 177.584 0.062 0.000 1.198 470 A CA 0.987 53.057 52.037 0.054 0.000 0.628 470 A CB 0.177 19.192 19.000 0.025 0.000 0.847 470 A HN 0.811 nan 8.150 nan 0.000 0.449 471 A N -2.406 120.459 122.820 0.075 0.000 2.609 471 A HA 0.590 4.905 4.320 -0.009 0.000 0.291 471 A C -1.623 176.034 177.584 0.121 0.000 1.096 471 A CA -0.368 51.726 52.037 0.095 0.000 0.684 471 A CB 0.431 19.460 19.000 0.048 0.000 1.282 471 A HN 0.556 nan 8.150 nan 0.000 0.412 472 Y N 1.385 121.695 120.300 0.016 0.000 2.345 472 Y HA 0.552 5.097 4.550 -0.007 0.000 0.331 472 Y C -0.781 175.122 175.900 0.005 0.000 0.959 472 Y CA -0.669 57.426 58.100 -0.009 0.000 1.204 472 Y CB 1.396 39.825 38.460 -0.052 0.000 1.135 472 Y HN 0.539 nan 8.280 nan 0.000 0.477 473 V N 7.542 127.577 119.914 0.201 0.000 2.481 473 V HA 0.318 4.433 4.120 -0.009 0.000 0.286 473 V C -0.000 176.227 176.094 0.223 0.000 1.042 473 V CA -0.673 61.748 62.300 0.200 0.000 0.928 473 V CB 1.534 33.452 31.823 0.159 0.000 0.986 473 V HN 0.622 nan 8.190 nan 0.000 0.462 474 I N 3.334 124.009 120.570 0.175 0.000 2.371 474 I HA 0.307 4.472 4.170 -0.009 0.000 0.282 474 I C 0.500 176.640 176.117 0.039 0.000 1.031 474 I CA -0.041 61.357 61.300 0.163 0.000 1.180 474 I CB 1.127 39.203 38.000 0.126 0.000 1.336 474 I HN 0.536 nan 8.210 nan 0.000 0.467 475 S N 6.915 122.628 115.700 0.021 0.000 2.579 475 S HA 0.223 4.688 4.470 -0.009 0.000 0.275 475 S C 0.953 175.545 174.600 -0.014 0.000 1.345 475 S CA -0.305 57.889 58.200 -0.010 0.000 1.031 475 S CB 0.516 63.702 63.200 -0.024 0.000 0.892 475 S HN 0.697 nan 8.310 nan 0.000 0.529 476 M N -1.050 118.544 119.600 -0.010 0.000 2.393 476 M HA -0.204 4.271 4.480 -0.009 0.000 0.201 476 M C 0.274 176.576 176.300 0.002 0.000 0.403 476 M CA 0.389 55.692 55.300 0.006 0.000 0.471 476 M CB -2.829 29.775 32.600 0.007 0.000 1.669 476 M HN 0.806 nan 8.290 nan 0.000 0.864 477 A N 0.488 123.268 122.820 -0.066 0.000 2.450 477 A HA 0.382 4.697 4.320 -0.009 0.000 0.255 477 A C 1.170 178.784 177.584 0.050 0.000 1.096 477 A CA 0.345 52.330 52.037 -0.086 0.000 0.778 477 A CB 0.498 19.295 19.000 -0.339 0.000 1.031 477 A HN 0.602 nan 8.150 nan 0.000 0.494 478 K N 0.295 120.762 120.400 0.112 0.000 2.556 478 K HA 0.117 4.431 4.320 -0.009 0.000 0.201 478 K C 0.372 177.073 176.600 0.169 0.000 1.423 478 K CA 0.997 57.387 56.287 0.171 0.000 1.010 478 K CB 0.708 33.274 32.500 0.110 0.000 1.409 478 K HN 0.839 nan 8.250 nan 0.000 0.538 479 T N -1.833 112.797 114.554 0.127 0.000 2.907 479 T HA 0.322 4.666 4.350 -0.009 0.000 0.290 479 T C -2.548 172.206 174.700 0.092 0.000 1.066 479 T CA -1.985 60.177 62.100 0.104 0.000 1.012 479 T CB 2.145 71.060 68.868 0.078 0.000 1.184 479 T HN -0.326 nan 8.240 nan 0.000 0.522 480 P HA -0.086 nan 4.420 nan 0.000 0.217 480 P C 1.880 179.205 177.300 0.041 0.000 1.150 480 P CA 1.387 64.500 63.100 0.021 0.000 0.832 480 P CB -0.078 31.617 31.700 -0.007 0.000 0.787 481 S N -1.181 114.567 115.700 0.081 0.000 2.419 481 S HA -0.171 4.294 4.470 -0.009 0.000 0.233 481 S C 1.670 176.363 174.600 0.154 0.000 1.016 481 S CA 1.270 59.553 58.200 0.138 0.000 0.974 481 S CB -1.206 62.100 63.200 0.176 0.000 0.786 481 S HN 0.072 nan 8.310 nan 0.000 0.492 482 D N 1.462 121.935 120.400 0.122 0.000 2.144 482 D HA -0.023 4.611 4.640 -0.009 0.000 0.199 482 D C 2.052 178.393 176.300 0.069 0.000 0.984 482 D CA 1.002 55.072 54.000 0.117 0.000 0.834 482 D CB -0.281 40.576 40.800 0.094 0.000 0.955 482 D HN 0.378 nan 8.370 nan 0.000 0.465 483 V N 0.965 120.914 119.914 0.058 0.000 2.407 483 V HA -0.142 3.973 4.120 -0.009 0.000 0.245 483 V C 2.612 178.786 176.094 0.132 0.000 1.041 483 V CA 0.861 63.198 62.300 0.062 0.000 1.040 483 V CB -0.317 31.552 31.823 0.077 0.000 0.671 483 V HN 0.163 nan 8.190 nan 0.000 0.455 484 L N 0.184 121.497 121.223 0.150 0.000 2.093 484 L HA -0.115 4.219 4.340 -0.009 0.000 0.208 484 L C 2.770 179.701 176.870 0.102 0.000 1.085 484 L CA 1.328 56.283 54.840 0.193 0.000 0.755 484 L CB -0.868 41.264 42.059 0.122 0.000 0.904 484 L HN 0.355 nan 8.230 nan 0.000 0.435 485 A N 0.137 122.992 122.820 0.058 0.000 1.873 485 A HA -0.202 4.112 4.320 -0.009 0.000 0.218 485 A C 2.352 179.843 177.584 -0.154 0.000 1.193 485 A CA 2.225 54.249 52.037 -0.021 0.000 0.629 485 A CB -0.999 18.016 19.000 0.024 0.000 0.826 485 A HN 0.184 nan 8.150 nan 0.000 0.447 486 V N -0.352 119.385 119.914 -0.295 0.000 2.343 486 V HA -0.265 3.850 4.120 -0.009 0.000 0.247 486 V C 2.459 178.327 176.094 -0.376 0.000 1.051 486 V CA 2.124 64.087 62.300 -0.561 0.000 1.036 486 V CB -1.086 30.216 31.823 -0.869 0.000 0.654 486 V HN 0.648 nan 8.190 nan 0.000 0.451 487 H N -0.968 118.004 119.070 -0.162 0.000 2.421 487 H HA -0.120 4.430 4.556 -0.010 0.000 0.298 487 H C 2.153 177.443 175.328 -0.063 0.000 1.087 487 H CA 1.932 57.948 56.048 -0.054 0.000 1.330 487 H CB -0.028 29.804 29.762 0.117 0.000 1.388 487 H HN 0.338 nan 8.280 nan 0.000 0.526 488 L N 0.675 121.910 121.223 0.021 0.000 2.044 488 L HA -0.092 4.242 4.340 -0.009 0.000 0.205 488 L C 2.332 179.163 176.870 -0.064 0.000 1.075 488 L CA 1.182 55.993 54.840 -0.049 0.000 0.747 488 L CB -0.731 41.269 42.059 -0.099 0.000 0.903 488 L HN 0.110 nan 8.230 nan 0.000 0.435 489 L N -1.171 119.992 121.223 -0.099 0.000 2.046 489 L HA -0.242 4.092 4.340 -0.009 0.000 0.208 489 L C 2.522 179.351 176.870 -0.068 0.000 1.077 489 L CA 1.243 56.034 54.840 -0.082 0.000 0.747 489 L CB -0.593 41.398 42.059 -0.113 0.000 0.896 489 L HN 0.309 nan 8.230 nan 0.000 0.432 490 L N -0.223 120.939 121.223 -0.101 0.000 2.131 490 L HA -0.219 4.115 4.340 -0.009 0.000 0.210 490 L C 2.782 179.619 176.870 -0.055 0.000 1.092 490 L CA 1.125 55.916 54.840 -0.081 0.000 0.759 490 L CB -0.498 41.493 42.059 -0.113 0.000 0.903 490 L HN 0.285 nan 8.230 nan 0.000 0.435 491 K N 0.234 120.616 120.400 -0.029 0.000 2.057 491 K HA -0.158 4.157 4.320 -0.009 0.000 0.206 491 K C 1.633 178.219 176.600 -0.023 0.000 1.050 491 K CA 1.141 57.417 56.287 -0.017 0.000 0.935 491 K CB 0.128 32.629 32.500 0.001 0.000 0.715 491 K HN 0.188 nan 8.250 nan 0.000 0.439 492 E N 0.026 120.212 120.200 -0.024 0.000 2.516 492 E HA -0.046 4.298 4.350 -0.009 0.000 0.199 492 E C 1.182 177.782 176.600 -0.000 0.000 1.069 492 E CA 0.369 56.761 56.400 -0.013 0.000 0.876 492 E CB 0.365 30.058 29.700 -0.012 0.000 0.843 492 E HN 0.367 nan 8.360 nan 0.000 0.530 493 A N -0.492 122.323 122.820 -0.008 0.000 2.115 493 A HA 0.374 4.688 4.320 -0.009 0.000 0.211 493 A C 1.662 179.244 177.584 -0.004 0.000 1.169 493 A CA 0.921 52.959 52.037 0.002 0.000 0.787 493 A CB 0.317 19.317 19.000 0.001 0.000 0.858 493 A HN 0.239 nan 8.150 nan 0.000 0.474 494 G N -0.996 107.791 108.800 -0.022 0.000 2.148 494 G HA2 -0.156 3.798 3.960 -0.009 0.000 0.203 494 G HA3 -0.156 3.798 3.960 -0.009 0.000 0.203 494 G C 0.139 175.001 174.900 -0.063 0.000 0.993 494 G CA -0.040 45.047 45.100 -0.022 0.000 0.661 494 G HN 0.726 nan 8.290 nan 0.000 0.518 495 I N 1.871 122.366 120.570 -0.125 0.000 2.906 495 I HA 0.416 4.581 4.170 -0.009 0.000 0.301 495 I C 1.404 177.352 176.117 -0.281 0.000 1.221 495 I CA 1.373 62.493 61.300 -0.300 0.000 1.435 495 I CB 0.811 38.602 38.000 -0.349 0.000 1.345 495 I HN 0.314 nan 8.210 nan 0.000 0.558 496 G N 7.072 115.682 108.800 -0.317 0.000 3.605 496 G HA2 0.395 4.350 3.960 -0.009 0.000 0.277 496 G HA3 0.395 4.350 3.960 -0.009 0.000 0.277 496 G C -0.393 174.553 174.900 0.078 0.000 1.093 496 G CA -0.093 44.975 45.100 -0.052 0.000 0.821 496 G HN 0.608 nan 8.290 nan 0.000 0.532 497 F N -2.832 117.133 119.950 0.025 0.000 2.817 497 F HA 0.781 5.303 4.527 -0.007 0.000 0.317 497 F C -0.223 175.589 175.800 0.019 0.000 1.168 497 F CA -2.313 55.695 58.000 0.014 0.000 0.911 497 F CB 0.796 39.803 39.000 0.011 0.000 1.337 497 F HN 0.056 nan 8.300 nan 0.000 0.464 498 A N 1.728 124.712 122.820 0.273 0.000 2.450 498 A HA 0.562 4.876 4.320 -0.009 0.000 0.255 498 A C -0.515 177.225 177.584 0.260 0.000 1.096 498 A CA -0.041 52.092 52.037 0.161 0.000 0.778 498 A CB 0.122 19.177 19.000 0.091 0.000 1.031 498 A HN 0.878 nan 8.150 nan 0.000 0.494 499 M N 4.698 124.394 119.600 0.160 0.000 2.093 499 M HA 0.497 4.972 4.480 -0.009 0.000 0.297 499 M C -2.776 173.600 176.300 0.126 0.000 0.938 499 M CA -2.206 53.194 55.300 0.168 0.000 0.920 499 M CB 1.505 34.153 32.600 0.081 0.000 1.517 499 M HN 0.245 nan 8.290 nan 0.000 0.427 500 P HA 0.106 nan 4.420 nan 0.000 0.261 500 P C -1.236 176.115 177.300 0.085 0.000 1.203 500 P CA -0.027 63.130 63.100 0.093 0.000 0.767 500 P CB 0.294 32.035 31.700 0.068 0.000 0.785 501 V N 3.953 123.904 119.914 0.061 0.000 2.357 501 V HA 0.600 4.715 4.120 -0.009 0.000 0.284 501 V C 0.227 176.375 176.094 0.090 0.000 1.018 501 V CA -0.590 61.708 62.300 -0.004 0.000 0.841 501 V CB 1.325 32.958 31.823 -0.318 0.000 0.991 501 V HN 0.585 nan 8.190 nan 0.000 0.437 502 A N 7.951 130.840 122.820 0.115 0.000 2.318 502 A HA 0.933 5.247 4.320 -0.009 0.000 0.324 502 A C -2.861 174.759 177.584 0.059 0.000 1.170 502 A CA -1.865 50.246 52.037 0.123 0.000 0.810 502 A CB 1.383 20.491 19.000 0.179 0.000 1.198 502 A HN 0.597 nan 8.150 nan 0.000 0.484 503 P HA 0.389 nan 4.420 nan 0.000 0.278 503 P C -0.888 176.181 177.300 -0.385 0.000 1.238 503 P CA -0.354 62.575 63.100 -0.286 0.000 0.794 503 P CB 0.864 32.257 31.700 -0.511 0.000 0.955 504 L N 4.031 125.030 121.223 -0.375 0.000 2.294 504 L HA 0.505 4.840 4.340 -0.009 0.000 0.283 504 L C -1.532 175.158 176.870 -0.301 0.000 1.015 504 L CA -0.457 54.249 54.840 -0.224 0.000 0.831 504 L CB -0.322 41.714 42.059 -0.038 0.000 1.217 504 L HN 0.136 nan 8.230 nan 0.000 0.420 505 F N 4.452 124.443 119.950 0.069 0.000 2.350 505 F HA 0.344 4.865 4.527 -0.010 0.000 0.365 505 F C 0.902 176.733 175.800 0.052 0.000 1.122 505 F CA -0.268 57.764 58.000 0.054 0.000 1.139 505 F CB 0.911 39.939 39.000 0.046 0.000 1.220 505 F HN 0.632 nan 8.300 nan 0.000 0.499 506 E N 1.039 121.345 120.200 0.176 0.000 2.989 506 E HA 0.291 4.636 4.350 -0.009 0.000 0.207 506 E C -0.545 176.107 176.600 0.087 0.000 0.989 506 E CA -0.320 56.150 56.400 0.116 0.000 1.186 506 E CB 0.847 30.593 29.700 0.077 0.000 1.141 506 E HN 0.426 nan 8.360 nan 0.000 0.454 507 T N 0.413 115.031 114.554 0.107 0.000 2.894 507 T HA 0.170 4.515 4.350 -0.009 0.000 0.309 507 T C 0.293 175.033 174.700 0.067 0.000 1.208 507 T CA -0.652 61.490 62.100 0.071 0.000 1.016 507 T CB 1.939 70.850 68.868 0.071 0.000 1.192 507 T HN 0.216 nan 8.240 nan 0.000 0.491 508 L N 2.238 123.488 121.223 0.044 0.000 1.989 508 L HA -0.040 4.295 4.340 -0.009 0.000 0.211 508 L C 1.848 178.737 176.870 0.031 0.000 1.071 508 L CA 2.250 57.114 54.840 0.040 0.000 0.749 508 L CB -0.323 41.759 42.059 0.040 0.000 0.890 508 L HN 0.648 nan 8.230 nan 0.000 0.431 509 D N -0.177 120.243 120.400 0.034 0.000 2.097 509 D HA -0.188 4.446 4.640 -0.009 0.000 0.195 509 D C 1.860 178.174 176.300 0.024 0.000 0.989 509 D CA 1.577 55.592 54.000 0.026 0.000 0.827 509 D CB -0.391 40.428 40.800 0.031 0.000 0.966 509 D HN 0.435 nan 8.370 nan 0.000 0.456 510 D N 0.255 120.694 120.400 0.065 0.000 2.149 510 D HA -0.108 4.527 4.640 -0.009 0.000 0.198 510 D C 2.335 178.630 176.300 -0.008 0.000 0.990 510 D CA 0.363 54.432 54.000 0.114 0.000 0.839 510 D CB -0.225 40.724 40.800 0.248 0.000 0.948 510 D HN 0.245 nan 8.370 nan 0.000 0.460 511 L N 0.809 122.028 121.223 -0.007 0.000 2.093 511 L HA -0.133 4.202 4.340 -0.009 0.000 0.208 511 L C 2.003 178.770 176.870 -0.172 0.000 1.085 511 L CA 0.734 55.511 54.840 -0.105 0.000 0.755 511 L CB -0.233 41.823 42.059 -0.004 0.000 0.904 511 L HN -0.026 nan 8.230 nan 0.000 0.435 512 N N 0.238 118.875 118.700 -0.105 0.000 2.270 512 N HA -0.135 4.600 4.740 -0.009 0.000 0.181 512 N C 1.319 176.752 175.510 -0.128 0.000 1.016 512 N CA 1.165 54.151 53.050 -0.107 0.000 0.870 512 N CB -0.331 38.122 38.487 -0.057 0.000 0.979 512 N HN 0.466 nan 8.380 nan 0.000 0.431 513 N N 0.364 118.985 118.700 -0.131 0.000 2.373 513 N HA 0.149 4.883 4.740 -0.009 0.000 0.181 513 N C 1.655 177.025 175.510 -0.234 0.000 1.082 513 N CA 0.294 53.270 53.050 -0.124 0.000 0.885 513 N CB 0.223 38.681 38.487 -0.049 0.000 0.977 513 N HN 0.110 nan 8.380 nan 0.000 0.462 514 A N 2.039 124.569 122.820 -0.484 0.000 1.881 514 A HA -0.330 3.985 4.320 -0.009 0.000 0.219 514 A C 2.010 179.326 177.584 -0.447 0.000 1.215 514 A CA 1.883 53.346 52.037 -0.957 0.000 0.648 514 A CB -1.082 17.125 19.000 -1.322 0.000 0.832 514 A HN 0.456 nan 8.150 nan 0.000 0.455 515 N N -0.862 117.666 118.700 -0.288 0.000 2.104 515 N HA -0.212 4.522 4.740 -0.009 0.000 0.190 515 N C 1.215 176.671 175.510 -0.091 0.000 1.024 515 N CA 1.711 54.670 53.050 -0.152 0.000 0.853 515 N CB -0.274 38.139 38.487 -0.124 0.000 1.008 515 N HN 0.467 nan 8.380 nan 0.000 0.424 516 D N 0.460 120.808 120.400 -0.088 0.000 2.097 516 D HA -0.105 4.530 4.640 -0.009 0.000 0.195 516 D C 2.125 178.411 176.300 -0.022 0.000 0.989 516 D CA 0.704 54.677 54.000 -0.045 0.000 0.827 516 D CB -0.297 40.481 40.800 -0.038 0.000 0.966 516 D HN 0.112 nan 8.370 nan 0.000 0.456 517 V N 1.322 121.225 119.914 -0.019 0.000 2.332 517 V HA -0.258 3.857 4.120 -0.009 0.000 0.248 517 V C 2.427 178.547 176.094 0.043 0.000 1.055 517 V CA 1.259 63.583 62.300 0.040 0.000 1.038 517 V CB -0.319 31.584 31.823 0.134 0.000 0.651 517 V HN 0.220 nan 8.190 nan 0.000 0.450 518 M N -0.625 119.000 119.600 0.041 0.000 2.288 518 M HA -0.068 4.406 4.480 -0.009 0.000 0.266 518 M C 2.249 178.567 176.300 0.030 0.000 1.072 518 M CA 1.534 56.868 55.300 0.056 0.000 1.132 518 M CB -1.622 31.025 32.600 0.078 0.000 1.386 518 M HN 0.390 nan 8.290 nan 0.000 0.432 519 T N 0.331 114.892 114.554 0.012 0.000 2.746 519 T HA -0.183 4.161 4.350 -0.009 0.000 0.267 519 T C 1.803 176.511 174.700 0.013 0.000 1.039 519 T CA 1.614 63.721 62.100 0.012 0.000 1.142 519 T CB -0.184 68.683 68.868 -0.001 0.000 0.866 519 T HN 0.270 nan 8.240 nan 0.000 0.444 520 Q N 0.975 120.777 119.800 0.003 0.000 2.084 520 Q HA 0.034 4.369 4.340 -0.009 0.000 0.202 520 Q C 2.112 178.102 176.000 -0.017 0.000 0.978 520 Q CA 1.450 57.252 55.803 -0.001 0.000 0.844 520 Q CB -0.804 27.933 28.738 -0.001 0.000 0.898 520 Q HN 0.505 nan 8.270 nan 0.000 0.426 521 L N -0.376 120.809 121.223 -0.063 0.000 2.012 521 L HA -0.176 4.159 4.340 -0.009 0.000 0.210 521 L C 2.236 179.088 176.870 -0.030 0.000 1.073 521 L CA 1.159 55.878 54.840 -0.201 0.000 0.748 521 L CB -0.378 41.434 42.059 -0.412 0.000 0.891 521 L HN 0.305 nan 8.230 nan 0.000 0.431 522 L N -0.414 120.852 121.223 0.072 0.000 2.456 522 L HA -0.151 4.184 4.340 -0.009 0.000 0.224 522 L C 1.774 178.710 176.870 0.110 0.000 1.148 522 L CA 0.407 55.339 54.840 0.153 0.000 0.825 522 L CB -0.533 41.595 42.059 0.115 0.000 0.937 522 L HN 0.361 nan 8.230 nan 0.000 0.450 523 N N 0.254 118.998 118.700 0.074 0.000 2.463 523 N HA 0.108 4.843 4.740 -0.009 0.000 0.181 523 N C 0.630 176.189 175.510 0.080 0.000 1.078 523 N CA 0.486 53.573 53.050 0.061 0.000 0.902 523 N CB 0.323 38.834 38.487 0.039 0.000 0.970 523 N HN 0.288 nan 8.380 nan 0.000 0.451 524 I N 1.777 122.416 120.570 0.114 0.000 2.278 524 I HA 0.005 4.170 4.170 -0.009 0.000 0.296 524 I C 0.640 176.876 176.117 0.200 0.000 1.121 524 I CA -0.278 61.117 61.300 0.157 0.000 1.267 524 I CB 0.638 38.750 38.000 0.186 0.000 1.447 524 I HN -0.176 nan 8.210 nan 0.000 0.509 525 D N 4.263 124.749 120.400 0.143 0.000 2.170 525 D HA -0.282 4.352 4.640 -0.009 0.000 0.193 525 D C 1.610 177.973 176.300 0.105 0.000 1.004 525 D CA 1.791 55.854 54.000 0.104 0.000 0.860 525 D CB -0.042 40.806 40.800 0.080 0.000 0.931 525 D HN 0.714 nan 8.370 nan 0.000 0.448 526 W N 0.088 121.404 121.300 0.027 0.000 2.335 526 W HA -0.276 4.385 4.660 0.002 0.000 0.311 526 W C 2.178 178.694 176.519 -0.005 0.000 1.213 526 W CA 1.297 58.643 57.345 0.003 0.000 1.274 526 W CB -0.667 28.794 29.460 0.002 0.000 1.148 526 W HN 0.099 nan 8.180 nan 0.000 0.498 527 Y N 1.277 121.668 120.300 0.152 0.000 2.274 527 Y HA -0.177 4.367 4.550 -0.011 0.000 0.290 527 Y C 2.413 178.187 175.900 -0.210 0.000 1.145 527 Y CA 2.243 60.319 58.100 -0.040 0.000 1.203 527 Y CB -0.408 38.149 38.460 0.162 0.000 0.984 527 Y HN -0.109 nan 8.280 nan 0.000 0.533 528 R N -0.793 119.639 120.500 -0.114 0.000 2.115 528 R HA -0.060 4.274 4.340 -0.009 0.000 0.230 528 R C 2.375 178.493 176.300 -0.302 0.000 1.111 528 R CA 1.056 57.058 56.100 -0.165 0.000 0.976 528 R CB -0.632 29.645 30.300 -0.039 0.000 0.870 528 R HN 0.421 nan 8.270 nan 0.000 0.445 529 G N 0.278 108.849 108.800 -0.382 0.000 2.813 529 G HA2 -0.109 3.845 3.960 -0.009 0.000 0.209 529 G HA3 -0.109 3.845 3.960 -0.009 0.000 0.209 529 G C 1.170 175.755 174.900 -0.527 0.000 1.150 529 G CA -0.078 44.783 45.100 -0.399 0.000 0.785 529 G HN 0.122 nan 8.290 nan 0.000 0.535 530 L N 0.908 121.686 121.223 -0.741 0.000 2.253 530 L HA 0.342 4.676 4.340 -0.009 0.000 0.205 530 L C 2.423 178.985 176.870 -0.513 0.000 1.078 530 L CA 0.744 55.131 54.840 -0.755 0.000 0.805 530 L CB -0.082 41.286 42.059 -1.152 0.000 0.963 530 L HN 0.336 nan 8.230 nan 0.000 0.459 531 I N -3.324 116.921 120.570 -0.542 0.000 3.564 531 I HA 0.031 4.196 4.170 -0.009 0.000 0.294 531 I C 0.536 176.533 176.117 -0.201 0.000 1.289 531 I CA 0.090 61.182 61.300 -0.346 0.000 1.325 531 I CB -0.500 37.272 38.000 -0.380 0.000 1.039 531 I HN 0.235 nan 8.210 nan 0.000 0.474 532 Q N 1.924 121.601 119.800 -0.205 0.000 2.434 532 Q HA -0.192 4.143 4.340 -0.009 0.000 0.299 532 Q C 1.149 177.091 176.000 -0.096 0.000 1.286 532 Q CA 1.058 56.781 55.803 -0.134 0.000 0.872 532 Q CB -1.898 26.781 28.738 -0.099 0.000 1.193 532 Q HN 1.012 nan 8.270 nan 0.000 0.466 533 G N -1.083 107.658 108.800 -0.097 0.000 2.166 533 G HA2 -0.380 3.575 3.960 -0.009 0.000 0.260 533 G HA3 -0.380 3.575 3.960 -0.009 0.000 0.260 533 G C -0.028 174.850 174.900 -0.036 0.000 0.986 533 G CA 0.707 45.772 45.100 -0.057 0.000 0.683 533 G HN 0.328 nan 8.290 nan 0.000 0.527 534 K N -0.309 120.066 120.400 -0.042 0.000 2.463 534 K HA 0.559 4.874 4.320 -0.009 0.000 0.255 534 K C -0.551 176.052 176.600 0.005 0.000 0.942 534 K CA -0.735 55.543 56.287 -0.015 0.000 0.814 534 K CB 1.820 34.310 32.500 -0.017 0.000 1.122 534 K HN 0.146 nan 8.250 nan 0.000 0.425 535 Q N 3.326 123.149 119.800 0.039 0.000 2.356 535 Q HA 0.495 4.829 4.340 -0.009 0.000 0.270 535 Q C -1.624 174.428 176.000 0.087 0.000 1.058 535 Q CA -0.545 55.310 55.803 0.085 0.000 0.802 535 Q CB 2.004 30.817 28.738 0.125 0.000 1.303 535 Q HN 0.670 nan 8.270 nan 0.000 0.444 536 M N 3.905 123.569 119.600 0.107 0.000 2.311 536 M HA 0.725 5.200 4.480 -0.009 0.000 0.325 536 M C -1.648 174.742 176.300 0.150 0.000 1.061 536 M CA -0.807 54.556 55.300 0.105 0.000 0.957 536 M CB 1.614 34.260 32.600 0.076 0.000 1.646 536 M HN 0.518 nan 8.290 nan 0.000 0.434 537 V N 5.359 125.372 119.914 0.165 0.000 2.789 537 V HA 0.543 4.657 4.120 -0.009 0.000 0.311 537 V C -0.725 175.493 176.094 0.207 0.000 1.073 537 V CA -0.716 61.705 62.300 0.202 0.000 0.921 537 V CB 2.182 34.158 31.823 0.254 0.000 1.009 537 V HN 0.958 nan 8.190 nan 0.000 0.426 538 M N 4.892 124.605 119.600 0.188 0.000 2.364 538 M HA 0.601 5.075 4.480 -0.009 0.000 0.334 538 M C -1.544 174.834 176.300 0.130 0.000 1.107 538 M CA -0.672 54.714 55.300 0.142 0.000 0.988 538 M CB 1.396 34.077 32.600 0.135 0.000 1.673 538 M HN 0.426 nan 8.290 nan 0.000 0.441 539 I N 3.652 124.265 120.570 0.072 0.000 2.339 539 I HA 0.330 4.494 4.170 -0.009 0.000 0.290 539 I C 0.629 176.821 176.117 0.125 0.000 0.994 539 I CA -0.401 60.985 61.300 0.142 0.000 1.191 539 I CB 0.930 39.016 38.000 0.143 0.000 1.343 539 I HN 0.836 nan 8.210 nan 0.000 0.458 540 G N 5.161 114.051 108.800 0.151 0.000 2.922 540 G HA2 0.116 4.070 3.960 -0.009 0.000 0.335 540 G HA3 0.116 4.070 3.960 -0.009 0.000 0.335 540 G C 0.355 175.349 174.900 0.157 0.000 1.016 540 G CA -0.294 44.884 45.100 0.129 0.000 1.306 540 G HN 0.684 nan 8.290 nan 0.000 0.465 541 Y N 2.374 122.723 120.300 0.082 0.000 2.163 541 Y HA -0.143 4.401 4.550 -0.009 0.000 0.288 541 Y C 2.635 178.580 175.900 0.074 0.000 1.136 541 Y CA 2.168 60.318 58.100 0.083 0.000 1.147 541 Y CB 0.036 38.547 38.460 0.085 0.000 0.987 541 Y HN 0.419 nan 8.280 nan 0.000 0.509 542 S N 0.285 115.942 115.700 -0.072 0.000 2.359 542 S HA -0.226 4.238 4.470 -0.009 0.000 0.224 542 S C 1.723 176.259 174.600 -0.105 0.000 1.035 542 S CA 1.619 59.740 58.200 -0.132 0.000 1.018 542 S CB -0.510 62.736 63.200 0.077 0.000 0.876 542 S HN 0.578 nan 8.310 nan 0.000 0.448 543 D N 0.617 121.001 120.400 -0.026 0.000 2.144 543 D HA 0.007 4.642 4.640 -0.009 0.000 0.200 543 D C 2.131 178.400 176.300 -0.052 0.000 0.978 543 D CA 0.727 54.719 54.000 -0.013 0.000 0.833 543 D CB -0.150 40.663 40.800 0.023 0.000 0.961 543 D HN 0.263 nan 8.370 nan 0.000 0.470 544 S N 0.346 116.006 115.700 -0.067 0.000 2.382 544 S HA -0.117 4.347 4.470 -0.009 0.000 0.228 544 S C 2.081 176.592 174.600 -0.150 0.000 1.027 544 S CA 1.019 59.181 58.200 -0.063 0.000 0.991 544 S CB -0.058 63.139 63.200 -0.006 0.000 0.823 544 S HN 0.350 nan 8.310 nan 0.000 0.469 545 A N 1.530 124.166 122.820 -0.307 0.000 1.969 545 A HA -0.078 4.237 4.320 -0.009 0.000 0.218 545 A C 1.991 179.410 177.584 -0.276 0.000 1.169 545 A CA 1.588 53.398 52.037 -0.377 0.000 0.635 545 A CB -0.422 18.214 19.000 -0.607 0.000 0.810 545 A HN 0.467 nan 8.150 nan 0.000 0.445 546 K N -0.596 119.741 120.400 -0.104 0.000 2.288 546 K HA -0.171 4.144 4.320 -0.009 0.000 0.201 546 K C 1.476 178.091 176.600 0.024 0.000 1.048 546 K CA 1.505 57.801 56.287 0.017 0.000 0.956 546 K CB -0.097 32.359 32.500 -0.073 0.000 0.746 546 K HN 0.424 nan 8.250 nan 0.000 0.461 547 D N -0.495 119.890 120.400 -0.024 0.000 2.149 547 D HA -0.002 4.633 4.640 -0.009 0.000 0.206 547 D C 1.023 177.387 176.300 0.108 0.000 0.967 547 D CA 1.295 55.313 54.000 0.029 0.000 0.848 547 D CB 0.283 41.082 40.800 -0.002 0.000 0.998 547 D HN 0.221 nan 8.370 nan 0.000 0.474 548 A N -1.060 121.740 122.820 -0.033 0.000 2.551 548 A HA 0.655 4.970 4.320 -0.009 0.000 0.252 548 A C 0.790 178.175 177.584 -0.333 0.000 1.199 548 A CA 0.507 52.529 52.037 -0.025 0.000 0.972 548 A CB 0.367 19.378 19.000 0.018 0.000 1.153 548 A HN 0.488 nan 8.150 nan 0.000 0.559 549 G N -1.154 107.114 108.800 -0.886 0.000 2.675 549 G HA2 0.098 4.052 3.960 -0.009 0.000 0.686 549 G HA3 0.098 4.052 3.960 -0.009 0.000 0.686 549 G C 0.734 175.408 174.900 -0.377 0.000 1.215 549 G CA -0.136 44.391 45.100 -0.956 0.000 0.777 549 G HN 1.459 nan 8.290 nan 0.000 0.638 550 V N -0.707 119.049 119.914 -0.262 0.000 2.392 550 V HA -0.154 3.960 4.120 -0.009 0.000 0.249 550 V C 2.634 178.770 176.094 0.069 0.000 1.059 550 V CA 2.492 64.761 62.300 -0.051 0.000 1.051 550 V CB -0.733 31.102 31.823 0.019 0.000 0.658 550 V HN 0.813 nan 8.190 nan 0.000 0.455 551 M N 1.103 120.727 119.600 0.041 0.000 2.084 551 M HA -0.096 4.378 4.480 -0.009 0.000 0.259 551 M C 2.490 178.912 176.300 0.204 0.000 1.072 551 M CA 2.743 58.109 55.300 0.112 0.000 1.107 551 M CB -1.536 31.121 32.600 0.095 0.000 1.299 551 M HN 0.550 nan 8.290 nan 0.000 0.413 552 A N -0.252 122.662 122.820 0.157 0.000 1.883 552 A HA -0.074 4.241 4.320 -0.009 0.000 0.217 552 A C 2.375 180.095 177.584 0.226 0.000 1.186 552 A CA 2.627 54.789 52.037 0.208 0.000 0.624 552 A CB -1.214 17.862 19.000 0.125 0.000 0.822 552 A HN 0.557 nan 8.150 nan 0.000 0.444 553 A N -0.412 122.494 122.820 0.144 0.000 1.869 553 A HA -0.189 4.126 4.320 -0.009 0.000 0.218 553 A C 2.478 180.257 177.584 0.326 0.000 1.203 553 A CA 2.509 54.644 52.037 0.163 0.000 0.638 553 A CB -1.229 17.791 19.000 0.032 0.000 0.831 553 A HN 0.492 nan 8.150 nan 0.000 0.450 554 S N -1.868 114.080 115.700 0.413 0.000 2.359 554 S HA -0.227 4.237 4.470 -0.009 0.000 0.223 554 S C 1.638 176.627 174.600 0.649 0.000 1.039 554 S CA 1.323 59.823 58.200 0.499 0.000 1.042 554 S CB -0.589 62.839 63.200 0.380 0.000 0.915 554 S HN 0.749 nan 8.310 nan 0.000 0.439 555 W N 1.915 123.437 121.300 0.370 0.000 2.363 555 W HA -0.181 4.474 4.660 -0.008 0.000 0.296 555 W C 2.441 179.075 176.519 0.192 0.000 1.212 555 W CA 0.858 58.358 57.345 0.259 0.000 1.260 555 W CB -0.239 29.353 29.460 0.221 0.000 1.131 555 W HN 0.369 nan 8.180 nan 0.000 0.530 556 A N 0.324 123.240 122.820 0.160 0.000 1.902 556 A HA -0.314 4.000 4.320 -0.009 0.000 0.217 556 A C 1.930 179.508 177.584 -0.010 0.000 1.181 556 A CA 1.913 53.933 52.037 -0.029 0.000 0.623 556 A CB -1.252 17.775 19.000 0.045 0.000 0.818 556 A HN 0.553 nan 8.150 nan 0.000 0.443 557 Q N -1.929 117.953 119.800 0.136 0.000 2.124 557 Q HA -0.241 4.093 4.340 -0.009 0.000 0.202 557 Q C 1.923 177.975 176.000 0.086 0.000 0.977 557 Q CA 2.004 57.894 55.803 0.144 0.000 0.850 557 Q CB -0.336 28.557 28.738 0.258 0.000 0.901 557 Q HN 0.763 nan 8.270 nan 0.000 0.429 558 Y N 1.037 121.337 120.300 0.001 0.000 2.145 558 Y HA -0.241 4.304 4.550 -0.009 0.000 0.286 558 Y C 2.220 177.996 175.900 -0.207 0.000 1.145 558 Y CA 2.208 60.256 58.100 -0.086 0.000 1.148 558 Y CB -0.043 38.282 38.460 -0.226 0.000 0.981 558 Y HN 0.196 nan 8.280 nan 0.000 0.507 559 Q N -0.323 119.319 119.800 -0.263 0.000 2.084 559 Q HA -0.189 4.145 4.340 -0.009 0.000 0.202 559 Q C 2.513 178.364 176.000 -0.247 0.000 0.978 559 Q CA 1.341 56.939 55.803 -0.342 0.000 0.844 559 Q CB -0.370 28.042 28.738 -0.544 0.000 0.898 559 Q HN 0.618 nan 8.270 nan 0.000 0.426 560 A N 1.048 123.746 122.820 -0.203 0.000 1.877 560 A HA -0.260 4.054 4.320 -0.009 0.000 0.216 560 A C 1.987 179.483 177.584 -0.147 0.000 1.186 560 A CA 1.529 53.463 52.037 -0.170 0.000 0.620 560 A CB -0.522 18.390 19.000 -0.146 0.000 0.822 560 A HN 0.339 nan 8.150 nan 0.000 0.443 561 Q N -1.042 118.674 119.800 -0.140 0.000 2.084 561 Q HA -0.222 4.113 4.340 -0.009 0.000 0.202 561 Q C 1.875 177.782 176.000 -0.155 0.000 0.978 561 Q CA 1.592 57.324 55.803 -0.120 0.000 0.844 561 Q CB -0.237 28.439 28.738 -0.103 0.000 0.898 561 Q HN 0.727 nan 8.270 nan 0.000 0.426 562 D N 0.054 120.304 120.400 -0.250 0.000 2.117 562 D HA -0.136 4.499 4.640 -0.009 0.000 0.197 562 D C 1.709 177.938 176.300 -0.118 0.000 0.987 562 D CA 1.430 55.303 54.000 -0.210 0.000 0.829 562 D CB -0.028 40.611 40.800 -0.269 0.000 0.961 562 D HN 0.247 nan 8.370 nan 0.000 0.460 563 A N 0.030 122.778 122.820 -0.120 0.000 1.873 563 A HA -0.071 4.244 4.320 -0.009 0.000 0.215 563 A C 2.452 179.997 177.584 -0.066 0.000 1.186 563 A CA 1.056 53.041 52.037 -0.087 0.000 0.616 563 A CB -0.868 18.070 19.000 -0.103 0.000 0.823 563 A HN 0.342 nan 8.150 nan 0.000 0.442 564 L N -0.443 120.738 121.223 -0.070 0.000 2.046 564 L HA -0.194 4.140 4.340 -0.009 0.000 0.208 564 L C 2.492 179.352 176.870 -0.017 0.000 1.077 564 L CA 1.218 56.036 54.840 -0.036 0.000 0.747 564 L CB -0.524 41.520 42.059 -0.026 0.000 0.896 564 L HN 0.392 nan 8.230 nan 0.000 0.432 565 I N -0.157 120.395 120.570 -0.029 0.000 2.163 565 I HA -0.344 3.821 4.170 -0.009 0.000 0.243 565 I C 2.531 178.643 176.117 -0.009 0.000 1.085 565 I CA 1.593 62.884 61.300 -0.015 0.000 1.347 565 I CB -0.278 37.707 38.000 -0.025 0.000 1.044 565 I HN 0.228 nan 8.210 nan 0.000 0.408 566 K N 0.037 120.426 120.400 -0.017 0.000 2.057 566 K HA -0.109 4.205 4.320 -0.009 0.000 0.206 566 K C 2.094 178.691 176.600 -0.005 0.000 1.050 566 K CA 1.753 58.034 56.287 -0.010 0.000 0.935 566 K CB -0.320 32.171 32.500 -0.015 0.000 0.715 566 K HN 0.247 nan 8.250 nan 0.000 0.439 567 T N 0.726 115.276 114.554 -0.007 0.000 2.720 567 T HA -0.177 4.167 4.350 -0.009 0.000 0.268 567 T C 2.058 176.766 174.700 0.013 0.000 1.037 567 T CA 1.305 63.405 62.100 0.001 0.000 1.144 567 T CB -0.339 68.528 68.868 -0.002 0.000 0.864 567 T HN 0.321 nan 8.240 nan 0.000 0.444 568 C N 0.832 120.143 119.300 0.017 0.000 2.486 568 C HA 0.062 4.517 4.460 -0.009 0.000 0.279 568 C C 2.743 177.743 174.990 0.017 0.000 1.302 568 C CA 0.305 59.338 59.018 0.025 0.000 1.720 568 C CB -0.860 26.899 27.740 0.032 0.000 2.030 568 C HN 0.597 nan 8.230 nan 0.000 0.490 569 E N 2.038 122.244 120.200 0.011 0.000 2.070 569 E HA -0.254 4.090 4.350 -0.009 0.000 0.197 569 E C 1.984 178.588 176.600 0.007 0.000 1.004 569 E CA 1.807 58.212 56.400 0.009 0.000 0.805 569 E CB -0.242 29.463 29.700 0.007 0.000 0.744 569 E HN 0.438 nan 8.360 nan 0.000 0.451 570 K N -0.263 120.141 120.400 0.007 0.000 2.097 570 K HA 0.066 4.381 4.320 -0.009 0.000 0.206 570 K C 1.642 178.247 176.600 0.008 0.000 1.049 570 K CA 1.380 57.670 56.287 0.006 0.000 0.933 570 K CB -0.415 32.087 32.500 0.005 0.000 0.717 570 K HN 0.190 nan 8.250 nan 0.000 0.442 571 A N -0.756 122.071 122.820 0.012 0.000 2.251 571 A HA 0.312 4.626 4.320 -0.009 0.000 0.209 571 A C 1.210 178.799 177.584 0.009 0.000 1.187 571 A CA 0.594 52.640 52.037 0.014 0.000 0.823 571 A CB -0.583 18.433 19.000 0.026 0.000 0.846 571 A HN 0.435 nan 8.150 nan 0.000 0.486 572 G N -0.572 108.231 108.800 0.006 0.000 2.168 572 G HA2 -0.209 3.746 3.960 -0.009 0.000 0.257 572 G HA3 -0.209 3.746 3.960 -0.009 0.000 0.257 572 G C -0.001 174.899 174.900 -0.000 0.000 0.997 572 G CA 0.419 45.519 45.100 0.001 0.000 0.708 572 G HN 0.348 nan 8.290 nan 0.000 0.520 573 I N 0.609 121.184 120.570 0.008 0.000 2.353 573 I HA 0.312 4.476 4.170 -0.009 0.000 0.293 573 I C 0.659 176.784 176.117 0.014 0.000 0.992 573 I CA -1.062 60.244 61.300 0.010 0.000 1.268 573 I CB 1.543 39.560 38.000 0.028 0.000 1.387 573 I HN 0.349 nan 8.210 nan 0.000 0.478 574 E N 6.082 126.287 120.200 0.009 0.000 2.129 574 E HA 0.223 4.567 4.350 -0.009 0.000 0.283 574 E C -1.165 175.448 176.600 0.021 0.000 1.080 574 E CA -0.637 55.770 56.400 0.012 0.000 0.867 574 E CB 0.865 30.568 29.700 0.005 0.000 1.056 574 E HN 0.411 nan 8.360 nan 0.000 0.404 575 L N 4.724 125.963 121.223 0.027 0.000 2.276 575 L HA 0.366 4.701 4.340 -0.009 0.000 0.286 575 L C -0.815 176.075 176.870 0.033 0.000 1.061 575 L CA 0.143 55.005 54.840 0.038 0.000 0.807 575 L CB 1.746 43.828 42.059 0.040 0.000 1.177 575 L HN 0.427 nan 8.230 nan 0.000 0.429 576 T N 6.651 121.227 114.554 0.037 0.000 2.791 576 T HA 0.474 4.819 4.350 -0.009 0.000 0.288 576 T C -0.188 174.534 174.700 0.037 0.000 0.999 576 T CA -0.286 61.830 62.100 0.027 0.000 0.952 576 T CB 0.447 69.320 68.868 0.008 0.000 0.938 576 T HN 0.440 nan 8.240 nan 0.000 0.444 577 L N 4.016 125.247 121.223 0.013 0.000 2.290 577 L HA 0.455 4.789 4.340 -0.009 0.000 0.284 577 L C -0.346 176.486 176.870 -0.062 0.000 1.078 577 L CA -0.748 54.062 54.840 -0.050 0.000 0.815 577 L CB 0.387 42.363 42.059 -0.138 0.000 1.162 577 L HN 0.503 nan 8.230 nan 0.000 0.435 578 F N 4.212 124.043 119.950 -0.198 0.000 2.361 578 F HA 0.346 4.867 4.527 -0.010 0.000 0.364 578 F C 0.193 175.878 175.800 -0.192 0.000 1.120 578 F CA -0.837 57.084 58.000 -0.132 0.000 1.102 578 F CB 0.150 39.155 39.000 0.008 0.000 1.183 578 F HN 0.366 nan 8.300 nan 0.000 0.476 579 H N 4.476 123.606 119.070 0.099 0.000 2.580 579 H HA 0.345 4.895 4.556 -0.009 0.000 0.322 579 H C 0.708 175.858 175.328 -0.297 0.000 1.082 579 H CA 0.088 56.088 56.048 -0.080 0.000 1.383 579 H CB 1.237 30.992 29.762 -0.010 0.000 1.450 579 H HN 0.813 nan 8.280 nan 0.000 0.505 580 G N 2.156 110.885 108.800 -0.118 0.000 2.516 580 G HA2 0.178 4.132 3.960 -0.009 0.000 0.276 580 G HA3 0.178 4.132 3.960 -0.009 0.000 0.276 580 G C 0.095 174.968 174.900 -0.046 0.000 1.390 580 G CA -0.781 44.220 45.100 -0.166 0.000 1.050 580 G HN 0.668 nan 8.290 nan 0.000 0.519 581 R N -0.949 119.542 120.500 -0.015 0.000 2.531 581 R HA 0.588 4.922 4.340 -0.009 0.000 0.273 581 R C 0.545 176.925 176.300 0.133 0.000 1.070 581 R CA 0.243 56.369 56.100 0.043 0.000 1.112 581 R CB 0.349 30.672 30.300 0.039 0.000 1.049 581 R HN 1.610 nan 8.270 nan 0.000 0.508 582 G N 0.325 109.200 108.800 0.125 0.000 2.584 582 G HA2 0.224 4.178 3.960 -0.009 0.000 0.229 582 G HA3 0.224 4.178 3.960 -0.009 0.000 0.229 582 G C 0.286 175.242 174.900 0.093 0.000 1.320 582 G CA -0.157 45.037 45.100 0.156 0.000 0.891 582 G HN 1.671 nan 8.290 nan 0.000 0.573 583 G N -2.322 106.535 108.800 0.095 0.000 2.796 583 G HA2 0.241 4.196 3.960 -0.009 0.000 0.226 583 G HA3 0.241 4.196 3.960 -0.009 0.000 0.226 583 G C 1.402 176.173 174.900 -0.214 0.000 1.381 583 G CA 1.527 46.439 45.100 -0.314 0.000 0.867 583 G HN 2.503 nan 8.290 nan 0.000 0.552 584 S N -0.849 114.673 115.700 -0.297 0.000 2.423 584 S HA 0.033 4.497 4.470 -0.009 0.000 0.231 584 S C 2.376 176.891 174.600 -0.142 0.000 1.014 584 S CA 1.618 59.699 58.200 -0.199 0.000 0.965 584 S CB -0.179 62.885 63.200 -0.227 0.000 0.785 584 S HN 0.737 nan 8.310 nan 0.000 0.495 585 I N 1.850 122.317 120.570 -0.173 0.000 2.614 585 I HA -0.002 4.162 4.170 -0.009 0.000 0.258 585 I C 2.345 178.443 176.117 -0.032 0.000 1.189 585 I CA 1.040 62.262 61.300 -0.131 0.000 1.462 585 I CB -0.569 37.272 38.000 -0.266 0.000 1.092 585 I HN 0.508 nan 8.210 nan 0.000 0.442 586 G N 0.256 109.041 108.800 -0.025 0.000 3.284 586 G HA2 0.049 4.004 3.960 -0.009 0.000 0.236 586 G HA3 0.049 4.004 3.960 -0.009 0.000 0.236 586 G C 1.477 176.404 174.900 0.044 0.000 1.158 586 G CA -0.333 44.793 45.100 0.043 0.000 0.774 586 G HN 0.251 nan 8.290 nan 0.000 0.545 587 R N -0.000 120.505 120.500 0.008 0.000 2.115 587 R HA 0.229 4.563 4.340 -0.009 0.000 0.226 587 R C 1.485 177.787 176.300 0.003 0.000 1.100 587 R CA 0.601 56.695 56.100 -0.010 0.000 0.980 587 R CB -0.133 30.141 30.300 -0.042 0.000 0.875 587 R HN 0.410 nan 8.270 nan 0.000 0.445 588 G N -0.437 108.378 108.800 0.025 0.000 2.781 588 G HA2 0.054 4.008 3.960 -0.009 0.000 0.683 588 G HA3 0.054 4.008 3.960 -0.009 0.000 0.683 588 G C 0.312 175.193 174.900 -0.031 0.000 1.390 588 G CA -0.390 44.705 45.100 -0.009 0.000 0.850 588 G HN 0.620 nan 8.290 nan 0.000 0.557 589 G N -0.413 108.343 108.800 -0.074 0.000 2.564 589 G HA2 0.169 4.124 3.960 -0.009 0.000 0.273 589 G HA3 0.169 4.124 3.960 -0.009 0.000 0.273 589 G C 1.720 176.617 174.900 -0.004 0.000 1.242 589 G CA 2.422 47.498 45.100 -0.040 0.000 0.951 589 G HN 2.549 nan 8.290 nan 0.000 0.564 590 A N 0.163 122.994 122.820 0.019 0.000 1.877 590 A HA 0.187 4.501 4.320 -0.009 0.000 0.216 590 A C 0.754 178.381 177.584 0.073 0.000 1.186 590 A CA 3.060 55.122 52.037 0.042 0.000 0.620 590 A CB -1.387 17.632 19.000 0.031 0.000 0.822 590 A HN 0.541 nan 8.150 nan 0.000 0.443 591 P HA -0.153 nan 4.420 nan 0.000 0.216 591 P C 1.725 179.036 177.300 0.018 0.000 1.150 591 P CA 1.960 65.063 63.100 0.005 0.000 0.843 591 P CB -0.091 31.588 31.700 -0.034 0.000 0.787 592 A N -0.749 122.094 122.820 0.038 0.000 1.902 592 A HA -0.257 4.058 4.320 -0.009 0.000 0.217 592 A C 2.255 179.899 177.584 0.100 0.000 1.181 592 A CA 2.065 54.142 52.037 0.066 0.000 0.623 592 A CB -1.896 17.170 19.000 0.109 0.000 0.818 592 A HN 0.248 nan 8.150 nan 0.000 0.443 593 H N 0.009 119.101 119.070 0.037 0.000 2.352 593 H HA -0.039 4.512 4.556 -0.009 0.000 0.299 593 H C 2.075 177.427 175.328 0.040 0.000 1.097 593 H CA 2.189 58.269 56.048 0.053 0.000 1.311 593 H CB -0.201 29.577 29.762 0.027 0.000 1.377 593 H HN 0.390 nan 8.280 nan 0.000 0.504 594 A N 0.779 123.634 122.820 0.059 0.000 1.898 594 A HA 0.023 4.338 4.320 -0.009 0.000 0.216 594 A C 2.620 180.172 177.584 -0.053 0.000 1.181 594 A CA 1.437 53.472 52.037 -0.003 0.000 0.620 594 A CB -1.298 17.727 19.000 0.041 0.000 0.819 594 A HN 0.632 nan 8.150 nan 0.000 0.442 595 A N -0.311 122.477 122.820 -0.053 0.000 1.972 595 A HA -0.034 4.281 4.320 -0.009 0.000 0.219 595 A C 2.142 179.684 177.584 -0.070 0.000 1.169 595 A CA 1.449 53.440 52.037 -0.076 0.000 0.635 595 A CB -0.562 18.378 19.000 -0.100 0.000 0.810 595 A HN 0.473 nan 8.150 nan 0.000 0.446 596 L N -0.812 120.366 121.223 -0.076 0.000 2.093 596 L HA -0.140 4.195 4.340 -0.009 0.000 0.208 596 L C 2.415 179.256 176.870 -0.048 0.000 1.085 596 L CA 0.939 55.735 54.840 -0.073 0.000 0.755 596 L CB -0.398 41.626 42.059 -0.059 0.000 0.904 596 L HN 0.376 nan 8.230 nan 0.000 0.435 597 L N -0.700 120.475 121.223 -0.080 0.000 2.217 597 L HA -0.114 4.221 4.340 -0.009 0.000 0.211 597 L C 2.503 179.406 176.870 0.054 0.000 1.107 597 L CA 1.103 55.925 54.840 -0.030 0.000 0.783 597 L CB -0.472 41.543 42.059 -0.073 0.000 0.919 597 L HN 0.336 nan 8.230 nan 0.000 0.442 598 S N -1.526 114.208 115.700 0.057 0.000 2.660 598 S HA 0.025 4.489 4.470 -0.009 0.000 0.223 598 S C 0.792 175.538 174.600 0.243 0.000 0.963 598 S CA -0.206 58.073 58.200 0.132 0.000 0.932 598 S CB -0.228 63.005 63.200 0.054 0.000 0.775 598 S HN 0.360 nan 8.310 nan 0.000 0.531 599 Q N 1.633 121.542 119.800 0.183 0.000 2.317 599 Q HA 0.346 4.680 4.340 -0.009 0.000 0.229 599 Q C -2.616 173.499 176.000 0.192 0.000 0.984 599 Q CA -2.215 53.707 55.803 0.197 0.000 0.911 599 Q CB -0.089 28.712 28.738 0.104 0.000 1.217 599 Q HN 0.179 nan 8.270 nan 0.000 0.501 600 P HA -0.016 nan 4.420 nan 0.000 0.265 600 P C -2.407 174.915 177.300 0.038 0.000 1.187 600 P CA -0.597 62.463 63.100 -0.066 0.000 0.766 600 P CB -0.232 31.230 31.700 -0.397 0.000 0.820 601 P HA -0.002 nan 4.420 nan 0.000 0.261 601 P C 0.988 178.313 177.300 0.041 0.000 1.183 601 P CA 1.615 64.760 63.100 0.076 0.000 0.761 601 P CB 0.018 31.770 31.700 0.086 0.000 0.785 602 G N 2.405 111.232 108.800 0.045 0.000 2.195 602 G HA2 -0.297 3.657 3.960 -0.009 0.000 0.246 602 G HA3 -0.297 3.657 3.960 -0.009 0.000 0.246 602 G C 1.474 176.396 174.900 0.035 0.000 0.984 602 G CA 0.379 45.500 45.100 0.035 0.000 0.633 602 G HN 0.440 nan 8.290 nan 0.000 0.525 603 S N -0.326 115.399 115.700 0.041 0.000 2.419 603 S HA 0.050 4.515 4.470 -0.009 0.000 0.235 603 S C 1.799 176.444 174.600 0.076 0.000 1.019 603 S CA 1.376 59.611 58.200 0.058 0.000 0.982 603 S CB -0.103 63.144 63.200 0.078 0.000 0.789 603 S HN 0.514 nan 8.310 nan 0.000 0.490 604 L N 0.063 121.325 121.223 0.065 0.000 2.857 604 L HA 0.259 4.593 4.340 -0.009 0.000 0.249 604 L C 1.637 178.537 176.870 0.050 0.000 1.172 604 L CA -0.097 54.779 54.840 0.061 0.000 0.980 604 L CB 0.182 42.275 42.059 0.056 0.000 1.299 604 L HN -0.045 nan 8.230 nan 0.000 0.535 605 K N 0.766 121.193 120.400 0.045 0.000 2.148 605 K HA 0.020 4.334 4.320 -0.009 0.000 0.204 605 K C 1.790 178.411 176.600 0.035 0.000 1.050 605 K CA 1.157 57.468 56.287 0.039 0.000 0.942 605 K CB -0.205 32.315 32.500 0.033 0.000 0.724 605 K HN 0.326 nan 8.250 nan 0.000 0.446 606 G N 0.403 109.223 108.800 0.032 0.000 3.181 606 G HA2 0.297 4.251 3.960 -0.009 0.000 0.219 606 G HA3 0.297 4.251 3.960 -0.009 0.000 0.219 606 G C 0.391 175.304 174.900 0.020 0.000 1.182 606 G CA 0.438 45.553 45.100 0.025 0.000 0.791 606 G HN 0.465 nan 8.290 nan 0.000 0.537 607 G N -0.925 107.892 108.800 0.028 0.000 2.707 607 G HA2 0.106 4.060 3.960 -0.009 0.000 0.686 607 G HA3 0.106 4.060 3.960 -0.009 0.000 0.686 607 G C -0.819 174.088 174.900 0.012 0.000 1.315 607 G CA -0.336 44.775 45.100 0.017 0.000 0.832 607 G HN 0.973 nan 8.290 nan 0.000 0.573 608 L N 0.427 121.640 121.223 -0.017 0.000 2.272 608 L HA 0.898 5.232 4.340 -0.009 0.000 0.289 608 L C 0.357 177.188 176.870 -0.064 0.000 1.032 608 L CA -0.640 54.178 54.840 -0.036 0.000 0.810 608 L CB 1.305 43.290 42.059 -0.122 0.000 1.205 608 L HN 0.815 nan 8.230 nan 0.000 0.422 609 R N 4.697 125.208 120.500 0.018 0.000 2.500 609 R HA 0.716 5.050 4.340 -0.009 0.000 0.299 609 R C -2.215 174.238 176.300 0.255 0.000 1.038 609 R CA -0.468 55.645 56.100 0.021 0.000 0.903 609 R CB 1.759 32.012 30.300 -0.079 0.000 1.177 609 R HN 0.587 nan 8.270 nan 0.000 0.455 610 V N 3.095 123.114 119.914 0.175 0.000 2.925 610 V HA 0.575 4.689 4.120 -0.009 0.000 0.311 610 V C -0.898 175.296 176.094 0.167 0.000 1.104 610 V CA -0.401 62.026 62.300 0.212 0.000 0.954 610 V CB 2.736 34.588 31.823 0.049 0.000 1.022 610 V HN 0.846 nan 8.190 nan 0.000 0.427 611 T N 4.069 118.647 114.554 0.040 0.000 2.733 611 T HA 0.489 4.834 4.350 -0.009 0.000 0.294 611 T C -0.467 174.204 174.700 -0.049 0.000 0.956 611 T CA -0.558 61.471 62.100 -0.120 0.000 0.987 611 T CB 0.739 69.298 68.868 -0.515 0.000 0.920 611 T HN 0.684 nan 8.240 nan 0.000 0.470 612 E N 3.874 124.096 120.200 0.037 0.000 2.316 612 E HA 0.056 4.401 4.350 -0.009 0.000 0.275 612 E C 0.631 177.302 176.600 0.118 0.000 1.029 612 E CA -0.412 56.078 56.400 0.150 0.000 0.871 612 E CB 0.756 30.633 29.700 0.295 0.000 1.022 612 E HN 0.667 nan 8.360 nan 0.000 0.418 613 Q N 1.798 121.677 119.800 0.133 0.000 2.313 613 Q HA 0.156 4.490 4.340 -0.009 0.000 0.266 613 Q C 0.947 177.040 176.000 0.155 0.000 0.989 613 Q CA 0.153 56.029 55.803 0.120 0.000 0.890 613 Q CB 0.659 29.474 28.738 0.130 0.000 1.200 613 Q HN 0.625 nan 8.270 nan 0.000 0.396 614 G N 4.005 112.874 108.800 0.116 0.000 2.513 614 G HA2 -0.365 3.590 3.960 -0.009 0.000 0.219 614 G HA3 -0.365 3.590 3.960 -0.009 0.000 0.219 614 G C 0.821 175.673 174.900 -0.080 0.000 1.160 614 G CA 1.165 46.331 45.100 0.111 0.000 0.767 614 G HN 0.764 nan 8.290 nan 0.000 0.571 615 E N 0.004 120.040 120.200 -0.272 0.000 2.463 615 E HA 0.027 4.371 4.350 -0.009 0.000 0.201 615 E C 2.010 178.705 176.600 0.159 0.000 1.045 615 E CA 0.602 56.839 56.400 -0.273 0.000 0.872 615 E CB -0.081 29.622 29.700 0.006 0.000 0.797 615 E HN 0.367 nan 8.360 nan 0.000 0.538 616 M N -0.344 119.386 119.600 0.216 0.000 2.308 616 M HA 0.169 4.644 4.480 -0.009 0.000 0.269 616 M C 1.158 177.635 176.300 0.294 0.000 1.040 616 M CA 0.091 55.603 55.300 0.353 0.000 1.024 616 M CB 0.283 33.044 32.600 0.269 0.000 1.465 616 M HN 0.111 nan 8.290 nan 0.000 0.517 617 I N 0.433 121.174 120.570 0.286 0.000 2.264 617 I HA -0.295 3.869 4.170 -0.009 0.000 0.248 617 I C 2.439 178.656 176.117 0.166 0.000 1.111 617 I CA 1.475 62.972 61.300 0.329 0.000 1.382 617 I CB -1.005 37.207 38.000 0.353 0.000 1.060 617 I HN 0.410 nan 8.210 nan 0.000 0.418 618 R N 0.754 121.224 120.500 -0.049 0.000 2.096 618 R HA -0.174 4.161 4.340 -0.009 0.000 0.235 618 R C 2.206 178.284 176.300 -0.369 0.000 1.127 618 R CA 1.597 57.512 56.100 -0.307 0.000 0.968 618 R CB -0.251 29.669 30.300 -0.634 0.000 0.861 618 R HN 0.257 nan 8.270 nan 0.000 0.440 619 F N -0.066 119.947 119.950 0.104 0.000 2.789 619 F HA 0.170 4.691 4.527 -0.009 0.000 0.300 619 F C 1.858 177.636 175.800 -0.037 0.000 1.132 619 F CA 0.383 58.410 58.000 0.045 0.000 1.404 619 F CB 0.334 39.358 39.000 0.041 0.000 1.114 619 F HN -0.075 nan 8.300 nan 0.000 0.584 620 K N -1.417 118.987 120.400 0.005 0.000 2.399 620 K HA 0.163 4.477 4.320 -0.009 0.000 0.196 620 K C -0.136 176.063 176.600 -0.669 0.000 1.117 620 K CA 0.491 56.570 56.287 -0.348 0.000 0.965 620 K CB 0.444 32.676 32.500 -0.446 0.000 0.983 620 K HN 0.237 nan 8.250 nan 0.000 0.531 621 Y N -0.913 119.425 120.300 0.064 0.000 2.809 621 Y HA 0.224 4.768 4.550 -0.009 0.000 0.251 621 Y C 1.540 177.437 175.900 -0.006 0.000 1.136 621 Y CA -0.636 57.487 58.100 0.039 0.000 1.185 621 Y CB 0.679 39.170 38.460 0.053 0.000 1.260 621 Y HN 0.020 nan 8.280 nan 0.000 0.576 622 G N 0.910 109.752 108.800 0.071 0.000 2.442 622 G HA2 -0.069 3.886 3.960 -0.009 0.000 0.219 622 G HA3 -0.069 3.886 3.960 -0.009 0.000 0.219 622 G C 0.451 175.374 174.900 0.038 0.000 1.141 622 G CA 0.892 46.004 45.100 0.020 0.000 0.763 622 G HN 0.208 nan 8.290 nan 0.000 0.554 623 L N -1.091 120.165 121.223 0.054 0.000 2.350 623 L HA 0.350 4.685 4.340 -0.009 0.000 0.260 623 L C -1.854 175.058 176.870 0.070 0.000 1.015 623 L CA -2.213 52.662 54.840 0.058 0.000 0.821 623 L CB 2.633 44.730 42.059 0.063 0.000 1.370 623 L HN -0.216 nan 8.230 nan 0.000 0.416 624 P HA -0.170 nan 4.420 nan 0.000 0.216 624 P C 0.766 178.112 177.300 0.076 0.000 1.153 624 P CA 1.255 64.404 63.100 0.081 0.000 0.858 624 P CB 0.350 32.094 31.700 0.073 0.000 0.789 625 E N -0.709 119.526 120.200 0.059 0.000 2.077 625 E HA -0.137 4.208 4.350 -0.009 0.000 0.193 625 E C 1.986 178.602 176.600 0.026 0.000 0.989 625 E CA 0.990 57.415 56.400 0.042 0.000 0.800 625 E CB -0.969 28.750 29.700 0.031 0.000 0.746 625 E HN 0.274 nan 8.360 nan 0.000 0.452 626 I N 0.515 121.100 120.570 0.025 0.000 2.315 626 I HA -0.246 3.919 4.170 -0.009 0.000 0.248 626 I C 2.040 178.134 176.117 -0.040 0.000 1.117 626 I CA 1.130 62.424 61.300 -0.009 0.000 1.404 626 I CB -0.397 37.605 38.000 0.004 0.000 1.071 626 I HN 0.114 nan 8.210 nan 0.000 0.419 627 T N 0.664 115.241 114.554 0.039 0.000 2.684 627 T HA -0.145 4.199 4.350 -0.009 0.000 0.267 627 T C 2.042 176.778 174.700 0.061 0.000 1.036 627 T CA 1.421 63.593 62.100 0.120 0.000 1.148 627 T CB -0.284 68.730 68.868 0.242 0.000 0.863 627 T HN 0.104 nan 8.240 nan 0.000 0.436 628 V N 1.253 121.212 119.914 0.074 0.000 2.392 628 V HA -0.176 3.939 4.120 -0.009 0.000 0.249 628 V C 2.675 178.780 176.094 0.018 0.000 1.059 628 V CA 1.974 64.329 62.300 0.091 0.000 1.051 628 V CB -0.794 31.101 31.823 0.121 0.000 0.658 628 V HN 0.514 nan 8.190 nan 0.000 0.455 629 S N -0.298 115.385 115.700 -0.028 0.000 2.348 629 S HA -0.206 4.259 4.470 -0.009 0.000 0.221 629 S C 2.268 176.775 174.600 -0.155 0.000 1.033 629 S CA 2.113 60.271 58.200 -0.071 0.000 1.010 629 S CB -0.327 62.827 63.200 -0.075 0.000 0.891 629 S HN 0.625 nan 8.310 nan 0.000 0.442 630 S N 1.954 117.511 115.700 -0.239 0.000 2.359 630 S HA -0.049 4.415 4.470 -0.009 0.000 0.223 630 S C 1.871 176.197 174.600 -0.457 0.000 1.039 630 S CA 1.704 59.641 58.200 -0.437 0.000 1.042 630 S CB -0.744 62.114 63.200 -0.570 0.000 0.915 630 S HN 0.496 nan 8.310 nan 0.000 0.439 631 L N 1.237 122.297 121.223 -0.273 0.000 2.127 631 L HA -0.119 4.215 4.340 -0.009 0.000 0.211 631 L C 2.552 179.262 176.870 -0.266 0.000 1.089 631 L CA 0.982 55.618 54.840 -0.340 0.000 0.757 631 L CB -0.735 40.818 42.059 -0.844 0.000 0.899 631 L HN 0.283 nan 8.230 nan 0.000 0.434 632 S N 0.196 115.822 115.700 -0.124 0.000 2.355 632 S HA -0.126 4.339 4.470 -0.009 0.000 0.222 632 S C 1.998 176.635 174.600 0.062 0.000 1.031 632 S CA 1.110 59.363 58.200 0.089 0.000 0.993 632 S CB -0.298 62.963 63.200 0.103 0.000 0.859 632 S HN 0.277 nan 8.310 nan 0.000 0.453 633 L N 0.009 121.206 121.223 -0.043 0.000 2.042 633 L HA -0.181 4.153 4.340 -0.009 0.000 0.210 633 L C 2.281 179.255 176.870 0.174 0.000 1.076 633 L CA 1.589 56.433 54.840 0.007 0.000 0.749 633 L CB -0.632 41.352 42.059 -0.125 0.000 0.893 633 L HN 0.391 nan 8.230 nan 0.000 0.432 634 Y N -0.307 120.033 120.300 0.066 0.000 2.128 634 Y HA -0.302 4.242 4.550 -0.009 0.000 0.284 634 Y C 2.867 178.814 175.900 0.078 0.000 1.154 634 Y CA 1.237 59.368 58.100 0.051 0.000 1.149 634 Y CB -0.535 37.924 38.460 -0.002 0.000 0.976 634 Y HN 0.174 nan 8.280 nan 0.000 0.505 635 T N -0.581 114.134 114.554 0.268 0.000 2.684 635 T HA -0.213 4.132 4.350 -0.009 0.000 0.267 635 T C 2.060 176.883 174.700 0.206 0.000 1.036 635 T CA 1.386 63.626 62.100 0.233 0.000 1.148 635 T CB -0.932 68.115 68.868 0.298 0.000 0.863 635 T HN 0.623 nan 8.240 nan 0.000 0.436 636 G N 0.934 109.867 108.800 0.221 0.000 2.422 636 G HA2 -0.034 3.920 3.960 -0.009 0.000 0.218 636 G HA3 -0.034 3.920 3.960 -0.009 0.000 0.218 636 G C 1.815 176.866 174.900 0.252 0.000 1.146 636 G CA 0.913 46.153 45.100 0.233 0.000 0.769 636 G HN 0.592 nan 8.290 nan 0.000 0.547 637 A N 0.772 123.731 122.820 0.231 0.000 1.898 637 A HA 0.070 4.384 4.320 -0.009 0.000 0.216 637 A C 2.395 179.996 177.584 0.029 0.000 1.181 637 A CA 1.260 53.289 52.037 -0.014 0.000 0.620 637 A CB -0.334 18.638 19.000 -0.047 0.000 0.819 637 A HN 0.373 nan 8.150 nan 0.000 0.442 638 I N -0.332 120.289 120.570 0.085 0.000 2.179 638 I HA -0.268 3.897 4.170 -0.009 0.000 0.242 638 I C 2.413 178.577 176.117 0.079 0.000 1.088 638 I CA 1.172 62.516 61.300 0.073 0.000 1.357 638 I CB -0.403 37.647 38.000 0.084 0.000 1.051 638 I HN 0.281 nan 8.210 nan 0.000 0.409 639 L N 0.306 121.588 121.223 0.099 0.000 2.017 639 L HA -0.240 4.094 4.340 -0.009 0.000 0.208 639 L C 2.645 179.565 176.870 0.084 0.000 1.073 639 L CA 1.643 56.541 54.840 0.096 0.000 0.745 639 L CB -0.597 41.526 42.059 0.108 0.000 0.894 639 L HN 0.296 nan 8.230 nan 0.000 0.432 640 E N 0.191 120.443 120.200 0.086 0.000 2.110 640 E HA -0.223 4.122 4.350 -0.009 0.000 0.193 640 E C 2.177 178.813 176.600 0.060 0.000 0.988 640 E CA 1.106 57.552 56.400 0.077 0.000 0.804 640 E CB 0.012 29.766 29.700 0.090 0.000 0.745 640 E HN 0.455 nan 8.360 nan 0.000 0.458 641 A N 0.808 123.655 122.820 0.045 0.000 2.015 641 A HA -0.115 4.200 4.320 -0.009 0.000 0.219 641 A C 1.782 179.400 177.584 0.058 0.000 1.163 641 A CA 1.175 53.240 52.037 0.046 0.000 0.646 641 A CB -0.266 18.753 19.000 0.031 0.000 0.806 641 A HN 0.219 nan 8.150 nan 0.000 0.448 642 N N -0.649 118.086 118.700 0.059 0.000 2.424 642 N HA 0.123 4.857 4.740 -0.009 0.000 0.178 642 N C 1.273 176.817 175.510 0.057 0.000 1.060 642 N CA 0.714 53.799 53.050 0.058 0.000 0.901 642 N CB 0.138 38.660 38.487 0.059 0.000 0.979 642 N HN 0.504 nan 8.380 nan 0.000 0.451 643 L N -0.781 120.479 121.223 0.061 0.000 2.577 643 L HA 0.297 4.632 4.340 -0.009 0.000 0.225 643 L C 0.267 177.173 176.870 0.060 0.000 1.053 643 L CA 0.358 55.233 54.840 0.059 0.000 0.866 643 L CB 0.506 42.602 42.059 0.062 0.000 1.132 643 L HN -0.093 nan 8.230 nan 0.000 0.486 644 L N 2.663 123.926 121.223 0.066 0.000 2.556 644 L HA 0.357 4.691 4.340 -0.009 0.000 0.243 644 L C -2.307 174.612 176.870 0.080 0.000 1.331 644 L CA -1.480 53.403 54.840 0.071 0.000 0.927 644 L CB 0.677 42.780 42.059 0.073 0.000 1.219 644 L HN -0.092 nan 8.230 nan 0.000 0.490 645 P HA 0.191 nan 4.420 nan 0.000 0.272 645 P C -2.436 174.941 177.300 0.128 0.000 1.230 645 P CA -0.931 62.230 63.100 0.100 0.000 0.788 645 P CB -0.083 31.672 31.700 0.092 0.000 0.949 646 P HA 0.183 nan 4.420 nan 0.000 0.272 646 P C -2.237 175.200 177.300 0.229 0.000 1.223 646 P CA -1.228 62.007 63.100 0.226 0.000 0.784 646 P CB -0.904 30.979 31.700 0.304 0.000 0.923 647 P HA 0.186 nan 4.420 nan 0.000 0.275 647 P C -0.165 177.240 177.300 0.175 0.000 1.228 647 P CA -0.013 63.193 63.100 0.176 0.000 0.786 647 P CB 0.617 32.420 31.700 0.171 0.000 0.927 648 E N 3.200 123.450 120.200 0.083 0.000 2.360 648 E HA 0.177 4.522 4.350 -0.009 0.000 0.269 648 E C -1.773 174.746 176.600 -0.135 0.000 1.022 648 E CA -1.717 54.705 56.400 0.036 0.000 0.887 648 E CB -0.294 29.410 29.700 0.007 0.000 0.990 648 E HN 0.344 nan 8.360 nan 0.000 0.426 649 P HA 0.056 nan 4.420 nan 0.000 0.271 649 P C -0.952 176.023 177.300 -0.541 0.000 1.218 649 P CA -0.125 62.595 63.100 -0.633 0.000 0.780 649 P CB 0.635 31.605 31.700 -1.217 0.000 0.901 650 K N 1.444 121.294 120.400 -0.916 0.000 2.355 650 K HA 0.006 4.321 4.320 -0.009 0.000 0.270 650 K C 1.467 177.755 176.600 -0.520 0.000 1.003 650 K CA -0.128 55.635 56.287 -0.875 0.000 0.957 650 K CB 0.517 32.140 32.500 -1.461 0.000 0.939 650 K HN 0.487 nan 8.250 nan 0.000 0.482 651 E N 1.282 121.282 120.200 -0.334 0.000 2.130 651 E HA -0.258 4.087 4.350 -0.009 0.000 0.196 651 E C 1.622 178.137 176.600 -0.141 0.000 0.998 651 E CA 2.008 58.301 56.400 -0.177 0.000 0.806 651 E CB 0.114 29.736 29.700 -0.131 0.000 0.738 651 E HN 0.697 nan 8.360 nan 0.000 0.459 652 S N -0.483 115.094 115.700 -0.204 0.000 2.419 652 S HA -0.150 4.314 4.470 -0.009 0.000 0.233 652 S C 1.590 176.215 174.600 0.040 0.000 1.016 652 S CA 0.728 58.872 58.200 -0.093 0.000 0.974 652 S CB -0.472 62.664 63.200 -0.107 0.000 0.786 652 S HN 0.362 nan 8.310 nan 0.000 0.492 653 W N 2.469 123.643 121.300 -0.210 0.000 2.409 653 W HA 0.226 4.880 4.660 -0.010 0.000 0.299 653 W C 2.659 179.019 176.519 -0.265 0.000 1.203 653 W CA -0.036 57.145 57.345 -0.274 0.000 1.298 653 W CB -0.950 28.243 29.460 -0.445 0.000 1.127 653 W HN 0.368 nan 8.180 nan 0.000 0.528 654 R N 0.042 120.547 120.500 0.008 0.000 2.127 654 R HA -0.128 4.207 4.340 -0.009 0.000 0.238 654 R C 2.124 178.466 176.300 0.071 0.000 1.134 654 R CA 1.018 57.159 56.100 0.069 0.000 0.975 654 R CB -0.337 30.088 30.300 0.209 0.000 0.865 654 R HN -0.033 nan 8.270 nan 0.000 0.447 655 R N 0.689 121.217 120.500 0.047 0.000 2.115 655 R HA 0.028 4.363 4.340 -0.009 0.000 0.226 655 R C 2.180 178.487 176.300 0.012 0.000 1.100 655 R CA 1.000 57.130 56.100 0.049 0.000 0.980 655 R CB -0.381 29.940 30.300 0.034 0.000 0.875 655 R HN 0.314 nan 8.270 nan 0.000 0.445 656 I N 0.430 120.985 120.570 -0.025 0.000 2.286 656 I HA -0.227 3.937 4.170 -0.009 0.000 0.245 656 I C 2.153 178.194 176.117 -0.126 0.000 1.104 656 I CA 0.893 62.158 61.300 -0.060 0.000 1.397 656 I CB -0.200 37.750 38.000 -0.084 0.000 1.072 656 I HN 0.023 nan 8.210 nan 0.000 0.417 657 M N 0.014 119.446 119.600 -0.280 0.000 2.159 657 M HA -0.205 4.269 4.480 -0.009 0.000 0.263 657 M C 1.792 177.869 176.300 -0.371 0.000 1.063 657 M CA 1.656 56.610 55.300 -0.577 0.000 1.110 657 M CB -1.208 30.471 32.600 -1.537 0.000 1.374 657 M HN 0.197 nan 8.290 nan 0.000 0.411 658 D N -0.043 120.326 120.400 -0.052 0.000 2.117 658 D HA -0.173 4.461 4.640 -0.009 0.000 0.197 658 D C 1.961 178.342 176.300 0.134 0.000 0.987 658 D CA 1.168 55.303 54.000 0.226 0.000 0.829 658 D CB -0.113 40.838 40.800 0.252 0.000 0.961 658 D HN 0.521 nan 8.370 nan 0.000 0.460 659 E N 0.296 120.536 120.200 0.065 0.000 2.047 659 E HA -0.097 4.248 4.350 -0.009 0.000 0.191 659 E C 2.396 179.034 176.600 0.064 0.000 0.987 659 E CA 0.359 56.796 56.400 0.061 0.000 0.799 659 E CB -0.027 29.697 29.700 0.040 0.000 0.752 659 E HN 0.172 nan 8.360 nan 0.000 0.449 660 L N 0.440 121.689 121.223 0.042 0.000 2.046 660 L HA -0.188 4.147 4.340 -0.009 0.000 0.208 660 L C 2.774 179.703 176.870 0.097 0.000 1.077 660 L CA 1.186 56.064 54.840 0.063 0.000 0.747 660 L CB -0.512 41.580 42.059 0.054 0.000 0.896 660 L HN 0.193 nan 8.230 nan 0.000 0.432 661 S N -0.368 115.405 115.700 0.123 0.000 2.353 661 S HA -0.172 4.292 4.470 -0.009 0.000 0.222 661 S C 1.971 176.663 174.600 0.153 0.000 1.035 661 S CA 1.593 59.909 58.200 0.193 0.000 1.025 661 S CB -0.165 63.244 63.200 0.349 0.000 0.902 661 S HN 0.177 nan 8.310 nan 0.000 0.440 662 V N 2.079 122.075 119.914 0.136 0.000 2.261 662 V HA -0.147 3.968 4.120 -0.009 0.000 0.246 662 V C 2.307 178.455 176.094 0.091 0.000 1.047 662 V CA 2.029 64.393 62.300 0.108 0.000 1.015 662 V CB -0.633 31.247 31.823 0.094 0.000 0.642 662 V HN 0.513 nan 8.190 nan 0.000 0.446 663 I N 0.980 121.601 120.570 0.085 0.000 2.163 663 I HA -0.262 3.903 4.170 -0.009 0.000 0.243 663 I C 2.726 178.899 176.117 0.093 0.000 1.085 663 I CA 1.988 63.335 61.300 0.078 0.000 1.347 663 I CB -0.588 37.456 38.000 0.072 0.000 1.044 663 I HN 0.507 nan 8.210 nan 0.000 0.408 664 S N -0.023 115.739 115.700 0.103 0.000 2.382 664 S HA -0.257 4.208 4.470 -0.009 0.000 0.228 664 S C 2.268 176.947 174.600 0.132 0.000 1.027 664 S CA 1.192 59.462 58.200 0.117 0.000 0.991 664 S CB -1.235 62.028 63.200 0.104 0.000 0.823 664 S HN 0.615 nan 8.310 nan 0.000 0.469 665 C N 1.775 121.146 119.300 0.119 0.000 2.429 665 C HA -0.070 4.385 4.460 -0.009 0.000 0.277 665 C C 2.322 177.398 174.990 0.143 0.000 1.262 665 C CA 1.407 60.506 59.018 0.135 0.000 1.733 665 C CB -1.675 26.130 27.740 0.108 0.000 2.010 665 C HN 0.641 nan 8.230 nan 0.000 0.483 666 D N -0.004 120.455 120.400 0.098 0.000 2.092 666 D HA -0.125 4.509 4.640 -0.009 0.000 0.193 666 D C 2.254 178.582 176.300 0.046 0.000 0.994 666 D CA 1.877 55.912 54.000 0.058 0.000 0.828 666 D CB -0.099 40.727 40.800 0.042 0.000 0.963 666 D HN 0.358 nan 8.370 nan 0.000 0.450 667 V N 0.166 120.130 119.914 0.083 0.000 2.255 667 V HA -0.293 3.822 4.120 -0.009 0.000 0.247 667 V C 2.051 178.229 176.094 0.141 0.000 1.051 667 V CA 1.863 64.222 62.300 0.098 0.000 1.018 667 V CB -0.775 31.146 31.823 0.165 0.000 0.641 667 V HN 0.292 nan 8.190 nan 0.000 0.445 668 Y N 1.370 121.697 120.300 0.044 0.000 2.081 668 Y HA -0.286 4.259 4.550 -0.009 0.000 0.280 668 Y C 2.719 178.593 175.900 -0.043 0.000 1.163 668 Y CA 2.059 60.160 58.100 0.002 0.000 1.135 668 Y CB -0.292 38.153 38.460 -0.025 0.000 0.970 668 Y HN 0.076 nan 8.280 nan 0.000 0.498 669 R N -0.384 120.072 120.500 -0.075 0.000 2.235 669 R HA -0.040 4.295 4.340 -0.009 0.000 0.213 669 R C 2.494 178.664 176.300 -0.217 0.000 1.059 669 R CA 0.627 56.605 56.100 -0.204 0.000 0.997 669 R CB -0.645 29.631 30.300 -0.040 0.000 0.884 669 R HN 0.552 nan 8.270 nan 0.000 0.462 670 G N 0.054 108.747 108.800 -0.179 0.000 2.440 670 G HA2 -0.271 3.684 3.960 -0.009 0.000 0.218 670 G HA3 -0.271 3.684 3.960 -0.009 0.000 0.218 670 G C 0.935 175.617 174.900 -0.362 0.000 1.154 670 G CA 0.846 45.790 45.100 -0.259 0.000 0.767 670 G HN 0.304 nan 8.290 nan 0.000 0.552 671 Y N -0.431 119.679 120.300 -0.317 0.000 2.239 671 Y HA 0.102 4.647 4.550 -0.009 0.000 0.293 671 Y C 2.969 178.402 175.900 -0.778 0.000 1.126 671 Y CA 0.377 58.217 58.100 -0.432 0.000 1.128 671 Y CB -0.316 37.865 38.460 -0.465 0.000 1.066 671 Y HN -0.007 nan 8.280 nan 0.000 0.516 672 V N 0.429 119.833 119.914 -0.850 0.000 2.469 672 V HA -0.277 3.837 4.120 -0.009 0.000 0.251 672 V C 1.845 177.677 176.094 -0.437 0.000 1.064 672 V CA 2.075 63.803 62.300 -0.953 0.000 1.066 672 V CB -0.445 30.795 31.823 -0.972 0.000 0.667 672 V HN 0.367 nan 8.190 nan 0.000 0.461 673 R N -1.068 119.247 120.500 -0.309 0.000 2.196 673 R HA 0.129 4.463 4.340 -0.009 0.000 0.186 673 R C 2.300 178.548 176.300 -0.088 0.000 1.163 673 R CA 0.267 56.275 56.100 -0.152 0.000 1.146 673 R CB -0.269 29.952 30.300 -0.132 0.000 1.113 673 R HN 0.285 nan 8.270 nan 0.000 0.513 674 E N 1.502 121.637 120.200 -0.107 0.000 2.058 674 E HA -0.107 4.237 4.350 -0.009 0.000 0.194 674 E C 0.508 177.081 176.600 -0.044 0.000 0.997 674 E CA 0.818 57.173 56.400 -0.075 0.000 0.801 674 E CB -0.125 29.515 29.700 -0.100 0.000 0.746 674 E HN 0.084 nan 8.360 nan 0.000 0.450 675 N N 1.219 119.888 118.700 -0.053 0.000 2.438 675 N HA -0.071 4.663 4.740 -0.009 0.000 0.267 675 N C -0.182 175.399 175.510 0.118 0.000 1.222 675 N CA 0.085 53.152 53.050 0.029 0.000 0.930 675 N CB 0.651 39.182 38.487 0.075 0.000 1.083 675 N HN -0.043 nan 8.380 nan 0.000 0.476 676 K N 1.665 122.124 120.400 0.100 0.000 2.505 676 K HA 0.153 4.468 4.320 -0.009 0.000 0.192 676 K C 0.066 176.759 176.600 0.155 0.000 1.025 676 K CA 0.548 56.905 56.287 0.117 0.000 1.086 676 K CB 0.541 33.085 32.500 0.073 0.000 0.840 676 K HN 0.300 nan 8.250 nan 0.000 0.514 677 D N -0.675 119.842 120.400 0.196 0.000 2.433 677 D HA 0.099 4.733 4.640 -0.009 0.000 0.211 677 D C 0.589 177.072 176.300 0.304 0.000 1.114 677 D CA -0.105 54.019 54.000 0.207 0.000 0.837 677 D CB 0.056 40.952 40.800 0.160 0.000 0.984 677 D HN 0.130 nan 8.370 nan 0.000 0.505 678 F N 1.626 121.708 119.950 0.221 0.000 2.039 678 F HA -0.214 4.308 4.527 -0.009 0.000 0.294 678 F C 2.188 178.229 175.800 0.401 0.000 1.130 678 F CA 1.246 59.439 58.000 0.323 0.000 1.189 678 F CB -0.427 38.726 39.000 0.255 0.000 0.983 678 F HN -0.245 nan 8.300 nan 0.000 0.471 679 V N 2.313 122.482 119.914 0.425 0.000 2.250 679 V HA -0.312 3.802 4.120 -0.009 0.000 0.250 679 V C -0.327 175.897 176.094 0.217 0.000 1.060 679 V CA 2.686 65.194 62.300 0.347 0.000 1.030 679 V CB -2.333 29.664 31.823 0.290 0.000 0.643 679 V HN 0.320 nan 8.190 nan 0.000 0.445 680 P HA -0.226 nan 4.420 nan 0.000 0.216 680 P C 1.625 178.977 177.300 0.086 0.000 1.153 680 P CA 1.887 65.051 63.100 0.106 0.000 0.848 680 P CB -0.188 31.582 31.700 0.115 0.000 0.787 681 Y N 0.396 120.714 120.300 0.029 0.000 2.145 681 Y HA -0.204 4.341 4.550 -0.009 0.000 0.286 681 Y C 2.392 178.270 175.900 -0.036 0.000 1.145 681 Y CA 1.337 59.447 58.100 0.017 0.000 1.148 681 Y CB -1.282 37.205 38.460 0.045 0.000 0.981 681 Y HN -0.212 nan 8.280 nan 0.000 0.507 682 F N 1.549 121.295 119.950 -0.340 0.000 2.126 682 F HA -0.199 4.323 4.527 -0.009 0.000 0.299 682 F C 2.111 177.643 175.800 -0.446 0.000 1.096 682 F CA 1.957 59.658 58.000 -0.498 0.000 1.255 682 F CB -0.613 38.198 39.000 -0.316 0.000 0.997 682 F HN -0.016 nan 8.300 nan 0.000 0.479 683 R N -0.456 119.759 120.500 -0.475 0.000 2.280 683 R HA -0.014 4.321 4.340 -0.009 0.000 0.207 683 R C 2.035 178.098 176.300 -0.395 0.000 1.043 683 R CA 1.021 56.806 56.100 -0.524 0.000 1.006 683 R CB -0.284 29.855 30.300 -0.268 0.000 0.885 683 R HN 0.270 nan 8.270 nan 0.000 0.467 684 S N 0.186 115.672 115.700 -0.358 0.000 2.506 684 S HA 0.114 4.578 4.470 -0.009 0.000 0.230 684 S C 1.871 176.293 174.600 -0.296 0.000 1.066 684 S CA 0.411 58.453 58.200 -0.262 0.000 0.940 684 S CB 0.477 63.583 63.200 -0.157 0.000 0.818 684 S HN 0.380 nan 8.310 nan 0.000 0.518 685 A N 1.659 124.192 122.820 -0.478 0.000 2.014 685 A HA 0.102 4.417 4.320 -0.009 0.000 0.218 685 A C 1.451 178.841 177.584 -0.322 0.000 1.163 685 A CA 1.393 53.186 52.037 -0.407 0.000 0.652 685 A CB -0.573 18.013 19.000 -0.689 0.000 0.808 685 A HN 0.548 nan 8.150 nan 0.000 0.449 686 T N -3.883 110.363 114.554 -0.512 0.000 2.942 686 T HA 0.559 4.904 4.350 -0.009 0.000 0.289 686 T C -2.768 171.721 174.700 -0.351 0.000 1.044 686 T CA -1.930 59.888 62.100 -0.469 0.000 1.023 686 T CB 2.240 70.652 68.868 -0.760 0.000 1.123 686 T HN -0.004 nan 8.240 nan 0.000 0.512 687 P HA 0.174 nan 4.420 nan 0.000 0.244 687 P C 0.823 178.018 177.300 -0.176 0.000 1.632 687 P CA -0.190 62.825 63.100 -0.142 0.000 0.944 687 P CB 0.216 31.898 31.700 -0.031 0.000 1.569 688 E N 1.341 121.345 120.200 -0.327 0.000 2.070 688 E HA -0.257 4.087 4.350 -0.009 0.000 0.197 688 E C 1.620 178.105 176.600 -0.191 0.000 1.004 688 E CA 1.675 57.893 56.400 -0.303 0.000 0.805 688 E CB -0.079 29.191 29.700 -0.716 0.000 0.744 688 E HN 0.127 nan 8.360 nan 0.000 0.451 689 Q N 0.302 119.967 119.800 -0.226 0.000 2.084 689 Q HA -0.161 4.173 4.340 -0.009 0.000 0.202 689 Q C 1.930 177.875 176.000 -0.092 0.000 0.978 689 Q CA 2.099 57.816 55.803 -0.144 0.000 0.844 689 Q CB 0.018 28.665 28.738 -0.151 0.000 0.898 689 Q HN 0.371 nan 8.270 nan 0.000 0.426 690 E N -0.252 119.896 120.200 -0.087 0.000 2.285 690 E HA -0.104 4.240 4.350 -0.009 0.000 0.194 690 E C 1.869 178.450 176.600 -0.032 0.000 0.997 690 E CA 0.456 56.824 56.400 -0.053 0.000 0.845 690 E CB -0.214 29.458 29.700 -0.045 0.000 0.782 690 E HN 0.420 nan 8.360 nan 0.000 0.491 691 L N 0.778 121.984 121.223 -0.028 0.000 2.141 691 L HA -0.027 4.307 4.340 -0.009 0.000 0.209 691 L C 2.414 179.275 176.870 -0.014 0.000 1.094 691 L CA 1.306 56.145 54.840 -0.003 0.000 0.763 691 L CB -0.531 41.542 42.059 0.023 0.000 0.908 691 L HN 0.224 nan 8.230 nan 0.000 0.437 692 G N -0.551 108.236 108.800 -0.021 0.000 2.453 692 G HA2 -0.125 3.829 3.960 -0.009 0.000 0.215 692 G HA3 -0.125 3.829 3.960 -0.009 0.000 0.215 692 G C 1.732 176.617 174.900 -0.025 0.000 1.147 692 G CA 0.050 45.138 45.100 -0.020 0.000 0.802 692 G HN 0.225 nan 8.290 nan 0.000 0.535 693 K N -0.334 120.048 120.400 -0.029 0.000 2.098 693 K HA 0.204 4.519 4.320 -0.009 0.000 0.203 693 K C 0.881 177.465 176.600 -0.027 0.000 1.051 693 K CA -0.122 56.147 56.287 -0.029 0.000 0.957 693 K CB -0.162 32.317 32.500 -0.034 0.000 0.738 693 K HN 0.200 nan 8.250 nan 0.000 0.447 694 L N 3.054 124.263 121.223 -0.024 0.000 2.482 694 L HA 0.022 4.357 4.340 -0.009 0.000 0.273 694 L C -1.792 175.064 176.870 -0.024 0.000 1.228 694 L CA -1.288 53.540 54.840 -0.021 0.000 0.827 694 L CB -0.032 42.019 42.059 -0.013 0.000 1.099 694 L HN 0.033 nan 8.230 nan 0.000 0.494 695 P HA 0.121 nan 4.420 nan 0.000 0.231 695 P C -0.866 176.411 177.300 -0.038 0.000 1.756 695 P CA 0.273 63.353 63.100 -0.032 0.000 0.990 695 P CB -0.261 31.420 31.700 -0.032 0.000 1.973 696 L N 1.050 122.251 121.223 -0.037 0.000 2.298 696 L HA 0.640 4.974 4.340 -0.009 0.000 0.284 696 L C 0.974 177.809 176.870 -0.058 0.000 1.013 696 L CA -0.171 54.642 54.840 -0.045 0.000 0.824 696 L CB 1.212 43.255 42.059 -0.027 0.000 1.221 696 L HN 0.321 nan 8.230 nan 0.000 0.418 697 G N 2.218 110.975 108.800 -0.072 0.000 2.819 697 G HA2 -0.224 3.731 3.960 -0.009 0.000 0.682 697 G HA3 -0.224 3.731 3.960 -0.009 0.000 0.682 697 G C 0.408 175.276 174.900 -0.053 0.000 1.481 697 G CA -0.161 44.896 45.100 -0.072 0.000 0.904 697 G HN 0.585 nan 8.290 nan 0.000 0.563 698 S N 0.471 116.145 115.700 -0.043 0.000 2.325 698 S HA 0.014 4.479 4.470 -0.009 0.000 0.214 698 S C 1.466 176.050 174.600 -0.027 0.000 1.031 698 S CA 1.697 59.879 58.200 -0.031 0.000 0.972 698 S CB -0.147 63.041 63.200 -0.020 0.000 0.908 698 S HN 1.073 nan 8.310 nan 0.000 0.453 699 R N 3.063 123.549 120.500 -0.022 0.000 2.594 699 R HA 0.397 4.731 4.340 -0.009 0.000 0.272 699 R C -2.571 173.715 176.300 -0.023 0.000 1.074 699 R CA -1.216 54.872 56.100 -0.019 0.000 1.105 699 R CB -0.747 29.547 30.300 -0.010 0.000 1.008 699 R HN 0.149 nan 8.270 nan 0.000 0.472 708 G N -1.484 107.342 108.800 0.044 0.000 2.568 708 G HA2 0.512 4.466 3.960 -0.009 0.000 0.293 708 G HA3 0.512 4.466 3.960 -0.009 0.000 0.293 708 G C 1.125 176.055 174.900 0.051 0.000 1.347 708 G CA 0.524 45.661 45.100 0.061 0.000 1.039 708 G HN 1.006 nan 8.290 nan 0.000 0.523 709 V N -0.184 119.748 119.914 0.030 0.000 2.490 709 V HA -0.122 3.993 4.120 -0.009 0.000 0.250 709 V C 2.425 178.413 176.094 -0.177 0.000 1.061 709 V CA 2.095 64.338 62.300 -0.094 0.000 1.064 709 V CB -0.644 31.051 31.823 -0.213 0.000 0.670 709 V HN 0.743 nan 8.190 nan 0.000 0.461 710 E N -0.438 119.692 120.200 -0.117 0.000 2.516 710 E HA -0.060 4.284 4.350 -0.009 0.000 0.199 710 E C 2.018 178.579 176.600 -0.065 0.000 1.069 710 E CA 0.750 57.086 56.400 -0.108 0.000 0.876 710 E CB 0.042 29.698 29.700 -0.073 0.000 0.843 710 E HN 0.480 nan 8.360 nan 0.000 0.530 711 S N -0.287 115.389 115.700 -0.040 0.000 2.505 711 S HA 0.115 4.580 4.470 -0.009 0.000 0.216 711 S C 0.470 175.070 174.600 0.001 0.000 1.018 711 S CA -0.472 57.720 58.200 -0.013 0.000 0.911 711 S CB 0.251 63.454 63.200 0.005 0.000 0.818 711 S HN 0.125 nan 8.310 nan 0.000 0.497 712 L N 3.377 124.602 121.223 0.004 0.000 2.436 712 L HA 0.444 4.779 4.340 -0.009 0.000 0.265 712 L C 0.198 177.089 176.870 0.036 0.000 1.168 712 L CA -0.103 54.769 54.840 0.053 0.000 0.815 712 L CB 0.528 42.664 42.059 0.129 0.000 1.109 712 L HN 0.118 nan 8.230 nan 0.000 0.462 713 R N 2.883 123.430 120.500 0.079 0.000 2.560 713 R HA 0.363 4.697 4.340 -0.009 0.000 0.270 713 R C 0.904 177.294 176.300 0.149 0.000 1.074 713 R CA 0.202 56.350 56.100 0.079 0.000 1.140 713 R CB 0.296 30.636 30.300 0.065 0.000 1.073 713 R HN 0.875 nan 8.270 nan 0.000 0.527 714 A N 2.229 125.134 122.820 0.141 0.000 1.865 714 A HA -0.172 4.143 4.320 -0.009 0.000 0.217 714 A C 2.185 179.944 177.584 0.292 0.000 1.191 714 A CA 1.422 53.596 52.037 0.227 0.000 0.623 714 A CB -0.619 18.476 19.000 0.158 0.000 0.826 714 A HN 0.711 nan 8.150 nan 0.000 0.444 715 I N 0.028 120.708 120.570 0.182 0.000 2.091 715 I HA -0.236 3.928 4.170 -0.009 0.000 0.239 715 I C -0.491 175.736 176.117 0.183 0.000 1.061 715 I CA 1.985 63.362 61.300 0.128 0.000 1.317 715 I CB -1.339 36.612 38.000 -0.081 0.000 1.031 715 I HN 0.222 nan 8.210 nan 0.000 0.401 716 P HA -0.222 nan 4.420 nan 0.000 0.216 716 P C 1.459 179.011 177.300 0.420 0.000 1.150 716 P CA 1.546 64.777 63.100 0.218 0.000 0.837 716 P CB -0.234 31.569 31.700 0.171 0.000 0.786 717 W N 0.426 121.864 121.300 0.230 0.000 2.333 717 W HA -0.196 4.458 4.660 -0.009 0.000 0.316 717 W C 1.748 178.486 176.519 0.364 0.000 1.215 717 W CA 1.161 58.676 57.345 0.284 0.000 1.278 717 W CB -0.614 28.967 29.460 0.202 0.000 1.154 717 W HN -0.156 nan 8.180 nan 0.000 0.486 718 I N -0.251 120.512 120.570 0.322 0.000 2.252 718 I HA -0.310 3.855 4.170 -0.009 0.000 0.245 718 I C 2.350 178.603 176.117 0.228 0.000 1.102 718 I CA 1.238 62.638 61.300 0.167 0.000 1.385 718 I CB -0.863 37.282 38.000 0.240 0.000 1.064 718 I HN -0.121 nan 8.210 nan 0.000 0.414 719 F N 1.285 121.291 119.950 0.095 0.000 2.134 719 F HA -0.223 4.298 4.527 -0.009 0.000 0.299 719 F C 2.638 178.460 175.800 0.037 0.000 1.097 719 F CA 1.404 59.446 58.000 0.070 0.000 1.264 719 F CB -0.940 38.107 39.000 0.078 0.000 1.001 719 F HN 0.005 nan 8.300 nan 0.000 0.479 720 A N -1.038 121.908 122.820 0.210 0.000 1.883 720 A HA -0.247 4.068 4.320 -0.009 0.000 0.217 720 A C 1.976 179.487 177.584 -0.122 0.000 1.186 720 A CA 1.659 53.696 52.037 -0.001 0.000 0.624 720 A CB -1.578 17.412 19.000 -0.017 0.000 0.822 720 A HN 0.578 nan 8.150 nan 0.000 0.444 721 W N -0.332 120.944 121.300 -0.040 0.000 3.077 721 W HA 0.061 4.716 4.660 -0.010 0.000 0.245 721 W C 1.944 178.390 176.519 -0.121 0.000 1.316 721 W CA 0.957 58.228 57.345 -0.124 0.000 1.537 721 W CB 0.016 29.309 29.460 -0.279 0.000 1.131 721 W HN 0.228 nan 8.180 nan 0.000 0.695 722 T N -0.647 113.944 114.554 0.062 0.000 3.044 722 T HA -0.096 4.248 4.350 -0.009 0.000 0.255 722 T C 1.872 176.532 174.700 -0.065 0.000 1.073 722 T CA 0.679 62.762 62.100 -0.029 0.000 1.125 722 T CB 0.044 68.823 68.868 -0.148 0.000 0.908 722 T HN -0.006 nan 8.240 nan 0.000 0.480 723 Q N 2.090 121.849 119.800 -0.068 0.000 2.119 723 Q HA -0.018 4.316 4.340 -0.009 0.000 0.201 723 Q C 2.006 177.879 176.000 -0.212 0.000 0.972 723 Q CA 0.998 56.760 55.803 -0.068 0.000 0.847 723 Q CB -0.381 28.351 28.738 -0.010 0.000 0.903 723 Q HN 0.624 nan 8.270 nan 0.000 0.433 724 N N -0.133 118.348 118.700 -0.364 0.000 2.336 724 N HA -0.066 4.669 4.740 -0.009 0.000 0.189 724 N C -0.117 175.128 175.510 -0.441 0.000 1.113 724 N CA 0.092 52.626 53.050 -0.860 0.000 0.858 724 N CB 0.327 38.379 38.487 -0.725 0.000 0.970 724 N HN -0.031 nan 8.380 nan 0.000 0.471 725 R N -1.183 119.215 120.500 -0.170 0.000 3.963 725 R HA -0.152 4.182 4.340 -0.009 0.000 0.394 725 R C 0.819 177.157 176.300 0.064 0.000 1.131 725 R CA 0.731 56.807 56.100 -0.040 0.000 1.059 725 R CB -2.371 27.901 30.300 -0.047 0.000 1.614 725 R HN 0.362 nan 8.270 nan 0.000 0.546 726 L N 0.448 121.762 121.223 0.152 0.000 2.209 726 L HA 0.165 4.500 4.340 -0.009 0.000 0.207 726 L C 1.197 178.280 176.870 0.355 0.000 1.094 726 L CA 1.831 56.827 54.840 0.260 0.000 0.790 726 L CB -0.076 42.178 42.059 0.325 0.000 0.932 726 L HN 0.310 nan 8.230 nan 0.000 0.447 727 M N -1.860 117.886 119.600 0.242 0.000 2.811 727 M HA -0.309 4.166 4.480 -0.009 0.000 0.183 727 M C 1.454 177.712 176.300 -0.071 0.000 0.618 727 M CA 1.090 56.493 55.300 0.172 0.000 0.633 727 M CB -2.903 29.854 32.600 0.262 0.000 2.305 727 M HN 0.430 nan 8.290 nan 0.000 0.472 728 L N 1.195 122.153 121.223 -0.442 0.000 2.030 728 L HA -0.185 4.150 4.340 -0.009 0.000 0.222 728 L C -0.550 175.637 176.870 -1.139 0.000 1.082 728 L CA 2.972 57.062 54.840 -1.250 0.000 0.785 728 L CB -1.090 39.965 42.059 -1.673 0.000 0.895 728 L HN 0.199 nan 8.230 nan 0.000 0.439 729 P HA -0.175 nan 4.420 nan 0.000 0.218 729 P C 0.771 177.897 177.300 -0.291 0.000 1.146 729 P CA 1.864 64.691 63.100 -0.455 0.000 0.813 729 P CB -0.149 31.203 31.700 -0.579 0.000 0.778 730 A N -2.062 120.586 122.820 -0.287 0.000 2.307 730 A HA 0.088 4.403 4.320 -0.009 0.000 0.218 730 A C 1.145 178.707 177.584 -0.037 0.000 1.228 730 A CA 0.012 51.981 52.037 -0.113 0.000 0.857 730 A CB -0.931 18.055 19.000 -0.023 0.000 0.897 730 A HN 0.452 nan 8.150 nan 0.000 0.495 731 W N -3.853 117.373 121.300 -0.124 0.000 1.607 731 W HA 0.081 4.736 4.660 -0.009 0.000 0.182 731 W C 0.497 177.017 176.519 0.002 0.000 0.797 731 W CA 0.307 57.597 57.345 -0.091 0.000 0.869 731 W CB -0.801 28.599 29.460 -0.100 0.000 0.804 731 W HN 0.052 nan 8.180 nan 0.000 0.549 732 L N 3.675 124.494 121.223 -0.674 0.000 2.195 732 L HA -0.196 4.138 4.340 -0.009 0.000 0.225 732 L C 1.850 178.747 176.870 0.045 0.000 1.096 732 L CA 3.332 57.844 54.840 -0.546 0.000 0.814 732 L CB -1.086 40.750 42.059 -0.373 0.000 0.901 732 L HN 0.263 nan 8.230 nan 0.000 0.446 733 G N -3.704 105.172 108.800 0.126 0.000 3.104 733 G HA2 0.323 4.277 3.960 -0.009 0.000 0.237 733 G HA3 0.323 4.277 3.960 -0.009 0.000 0.237 733 G C 1.353 176.356 174.900 0.172 0.000 1.035 733 G CA 0.478 45.687 45.100 0.181 0.000 0.844 733 G HN 0.640 nan 8.290 nan 0.000 0.531 734 A N 1.314 124.236 122.820 0.170 0.000 1.851 734 A HA 0.114 4.429 4.320 -0.009 0.000 0.216 734 A C 2.630 180.306 177.584 0.153 0.000 1.195 734 A CA 2.350 54.470 52.037 0.138 0.000 0.622 734 A CB -1.129 17.935 19.000 0.106 0.000 0.831 734 A HN 0.553 nan 8.150 nan 0.000 0.444 735 G N -1.505 107.424 108.800 0.214 0.000 2.422 735 G HA2 -0.124 3.830 3.960 -0.009 0.000 0.218 735 G HA3 -0.124 3.830 3.960 -0.009 0.000 0.218 735 G C 1.533 176.508 174.900 0.126 0.000 1.146 735 G CA 1.662 46.860 45.100 0.164 0.000 0.769 735 G HN 0.459 nan 8.290 nan 0.000 0.547 736 T N 1.563 116.208 114.554 0.153 0.000 2.788 736 T HA 0.043 4.387 4.350 -0.009 0.000 0.268 736 T C 2.785 177.546 174.700 0.101 0.000 1.044 736 T CA 1.394 63.569 62.100 0.125 0.000 1.139 736 T CB -0.272 68.688 68.868 0.153 0.000 0.867 736 T HN 0.364 nan 8.240 nan 0.000 0.454 737 A N 1.018 123.902 122.820 0.107 0.000 1.929 737 A HA 0.124 4.439 4.320 -0.009 0.000 0.216 737 A C 2.281 179.913 177.584 0.081 0.000 1.176 737 A CA 0.898 52.989 52.037 0.090 0.000 0.628 737 A CB -0.713 18.344 19.000 0.095 0.000 0.816 737 A HN 0.453 nan 8.150 nan 0.000 0.444 738 L N -0.995 120.281 121.223 0.088 0.000 2.056 738 L HA -0.220 4.115 4.340 -0.009 0.000 0.207 738 L C 2.838 179.745 176.870 0.063 0.000 1.078 738 L CA 1.655 56.545 54.840 0.084 0.000 0.749 738 L CB -0.423 41.689 42.059 0.089 0.000 0.901 738 L HN 0.500 nan 8.230 nan 0.000 0.433 739 Q N 0.986 120.821 119.800 0.058 0.000 2.061 739 Q HA -0.272 4.062 4.340 -0.009 0.000 0.204 739 Q C 2.045 178.069 176.000 0.040 0.000 0.984 739 Q CA 2.084 57.912 55.803 0.043 0.000 0.846 739 Q CB -0.122 28.642 28.738 0.042 0.000 0.902 739 Q HN 0.179 nan 8.270 nan 0.000 0.421 740 K N -0.534 119.894 120.400 0.046 0.000 2.026 740 K HA -0.079 4.235 4.320 -0.009 0.000 0.208 740 K C 1.809 178.430 176.600 0.035 0.000 1.048 740 K CA 1.906 58.217 56.287 0.040 0.000 0.929 740 K CB -0.813 31.715 32.500 0.045 0.000 0.713 740 K HN 0.172 nan 8.250 nan 0.000 0.439 741 V N 0.491 120.427 119.914 0.037 0.000 2.594 741 V HA -0.169 3.946 4.120 -0.009 0.000 0.253 741 V C 2.279 178.388 176.094 0.025 0.000 1.069 741 V CA 1.467 63.785 62.300 0.029 0.000 1.082 741 V CB -0.211 31.629 31.823 0.027 0.000 0.680 741 V HN 0.177 nan 8.190 nan 0.000 0.469 742 V N -0.222 119.709 119.914 0.029 0.000 2.453 742 V HA -0.203 3.912 4.120 -0.009 0.000 0.247 742 V C 2.265 178.371 176.094 0.020 0.000 1.048 742 V CA 1.678 63.993 62.300 0.024 0.000 1.049 742 V CB -0.558 31.279 31.823 0.024 0.000 0.672 742 V HN 0.600 nan 8.190 nan 0.000 0.457 743 E N 0.062 120.275 120.200 0.021 0.000 2.463 743 E HA -0.176 4.168 4.350 -0.009 0.000 0.201 743 E C 0.738 177.349 176.600 0.017 0.000 1.045 743 E CA 0.850 57.261 56.400 0.018 0.000 0.872 743 E CB -0.052 29.660 29.700 0.020 0.000 0.797 743 E HN 0.618 nan 8.360 nan 0.000 0.538 744 D N -0.605 119.805 120.400 0.018 0.000 2.388 744 D HA 0.099 4.734 4.640 -0.009 0.000 0.221 744 D C 0.924 177.233 176.300 0.015 0.000 1.133 744 D CA 0.343 54.353 54.000 0.017 0.000 0.831 744 D CB 0.639 41.450 40.800 0.018 0.000 0.962 744 D HN 0.200 nan 8.370 nan 0.000 0.502 745 G N 1.602 110.411 108.800 0.015 0.000 2.168 745 G HA2 -0.379 3.575 3.960 -0.009 0.000 0.257 745 G HA3 -0.379 3.575 3.960 -0.009 0.000 0.257 745 G C 0.860 175.770 174.900 0.016 0.000 0.997 745 G CA 0.231 45.340 45.100 0.015 0.000 0.708 745 G HN 0.381 nan 8.290 nan 0.000 0.520 746 K N -0.490 119.920 120.400 0.016 0.000 2.437 746 K HA 0.219 4.534 4.320 -0.009 0.000 0.205 746 K C 1.871 178.479 176.600 0.013 0.000 1.026 746 K CA 0.257 56.554 56.287 0.016 0.000 1.153 746 K CB 0.257 32.766 32.500 0.014 0.000 0.863 746 K HN 0.494 nan 8.250 nan 0.000 0.502 747 Q N 0.554 120.364 119.800 0.016 0.000 2.181 747 Q HA -0.143 4.191 4.340 -0.009 0.000 0.205 747 Q C 1.407 177.417 176.000 0.017 0.000 0.980 747 Q CA 1.463 57.277 55.803 0.018 0.000 0.862 747 Q CB 0.125 28.874 28.738 0.018 0.000 0.905 747 Q HN 0.173 nan 8.270 nan 0.000 0.429 748 S N 0.349 116.061 115.700 0.020 0.000 2.423 748 S HA -0.093 4.372 4.470 -0.009 0.000 0.231 748 S C 1.519 176.139 174.600 0.032 0.000 1.014 748 S CA 0.662 58.878 58.200 0.027 0.000 0.965 748 S CB -0.037 63.182 63.200 0.031 0.000 0.785 748 S HN 0.365 nan 8.310 nan 0.000 0.495 749 E N 1.206 121.423 120.200 0.028 0.000 2.072 749 E HA -0.008 4.337 4.350 -0.009 0.000 0.190 749 E C 2.060 178.609 176.600 -0.084 0.000 0.982 749 E CA 0.645 57.069 56.400 0.039 0.000 0.803 749 E CB -0.260 29.471 29.700 0.051 0.000 0.755 749 E HN 0.462 nan 8.360 nan 0.000 0.453 750 L N 0.697 121.865 121.223 -0.092 0.000 2.017 750 L HA -0.169 4.165 4.340 -0.009 0.000 0.208 750 L C 2.402 179.239 176.870 -0.054 0.000 1.073 750 L CA 1.208 55.967 54.840 -0.136 0.000 0.745 750 L CB -0.398 41.663 42.059 0.005 0.000 0.894 750 L HN 0.076 nan 8.230 nan 0.000 0.432 751 E N 0.137 120.335 120.200 -0.003 0.000 2.110 751 E HA -0.224 4.121 4.350 -0.009 0.000 0.193 751 E C 2.284 178.882 176.600 -0.003 0.000 0.988 751 E CA 1.120 57.531 56.400 0.019 0.000 0.804 751 E CB -0.114 29.600 29.700 0.023 0.000 0.745 751 E HN 0.507 nan 8.360 nan 0.000 0.458 752 A N 0.768 123.573 122.820 -0.025 0.000 1.898 752 A HA -0.169 4.146 4.320 -0.009 0.000 0.216 752 A C 2.113 179.587 177.584 -0.184 0.000 1.181 752 A CA 1.198 53.238 52.037 0.005 0.000 0.620 752 A CB -0.364 18.723 19.000 0.145 0.000 0.819 752 A HN 0.129 nan 8.150 nan 0.000 0.442 753 M N -1.255 118.034 119.600 -0.518 0.000 2.117 753 M HA -0.173 4.302 4.480 -0.009 0.000 0.262 753 M C 2.454 178.637 176.300 -0.194 0.000 1.065 753 M CA 1.542 56.300 55.300 -0.903 0.000 1.114 753 M CB -0.687 31.175 32.600 -1.231 0.000 1.361 753 M HN 0.620 nan 8.290 nan 0.000 0.408 754 C N 1.066 120.415 119.300 0.082 0.000 2.413 754 C HA -0.150 4.304 4.460 -0.009 0.000 0.277 754 C C 2.839 177.861 174.990 0.053 0.000 1.265 754 C CA 1.245 60.368 59.018 0.176 0.000 1.752 754 C CB -0.851 26.963 27.740 0.124 0.000 1.998 754 C HN 0.446 nan 8.230 nan 0.000 0.489 755 R N -0.066 120.453 120.500 0.031 0.000 2.080 755 R HA 0.009 4.344 4.340 -0.009 0.000 0.222 755 R C 1.352 177.705 176.300 0.088 0.000 1.107 755 R CA 1.324 57.454 56.100 0.051 0.000 0.980 755 R CB -0.294 30.039 30.300 0.055 0.000 0.879 755 R HN 0.591 nan 8.270 nan 0.000 0.439 756 D N -1.343 119.120 120.400 0.104 0.000 2.369 756 D HA -0.014 4.620 4.640 -0.009 0.000 0.211 756 D C -0.535 175.959 176.300 0.323 0.000 1.077 756 D CA 0.230 54.361 54.000 0.217 0.000 0.842 756 D CB 0.424 41.429 40.800 0.341 0.000 0.947 756 D HN 0.104 nan 8.370 nan 0.000 0.509 757 W N 2.080 123.357 121.300 -0.037 0.000 2.466 757 W HA 0.335 4.989 4.660 -0.010 0.000 0.303 757 W C -2.353 174.224 176.519 0.096 0.000 0.999 757 W CA -2.951 54.422 57.345 0.046 0.000 1.437 757 W CB 1.357 30.734 29.460 -0.138 0.000 1.274 757 W HN -0.218 nan 8.180 nan 0.000 0.417 758 P HA -0.310 nan 4.420 nan 0.000 0.217 758 P C 1.725 178.938 177.300 -0.145 0.000 1.158 758 P CA 2.031 65.156 63.100 0.041 0.000 0.887 758 P CB -0.190 31.587 31.700 0.127 0.000 0.792 759 F N -0.810 118.863 119.950 -0.462 0.000 2.087 759 F HA -0.257 4.264 4.527 -0.009 0.000 0.299 759 F C 2.069 177.525 175.800 -0.574 0.000 1.100 759 F CA 1.544 59.190 58.000 -0.590 0.000 1.226 759 F CB -1.035 37.321 39.000 -1.073 0.000 0.983 759 F HN -0.180 nan 8.300 nan 0.000 0.479 760 F N 1.197 120.559 119.950 -0.981 0.000 2.163 760 F HA -0.082 4.440 4.527 -0.009 0.000 0.297 760 F C 2.898 178.393 175.800 -0.508 0.000 1.094 760 F CA 1.562 59.091 58.000 -0.784 0.000 1.290 760 F CB -0.953 37.755 39.000 -0.487 0.000 1.017 760 F HN 0.146 nan 8.300 nan 0.000 0.483 761 S N -1.771 113.744 115.700 -0.308 0.000 2.399 761 S HA -0.187 4.278 4.470 -0.009 0.000 0.231 761 S C 2.024 176.414 174.600 -0.351 0.000 1.022 761 S CA 1.682 59.711 58.200 -0.286 0.000 0.983 761 S CB -1.181 61.946 63.200 -0.122 0.000 0.803 761 S HN 0.377 nan 8.310 nan 0.000 0.480 762 T N 1.524 115.859 114.554 -0.365 0.000 2.821 762 T HA 0.052 4.397 4.350 -0.009 0.000 0.267 762 T C 2.000 176.444 174.700 -0.426 0.000 1.046 762 T CA 1.413 63.311 62.100 -0.337 0.000 1.139 762 T CB -0.282 68.414 68.868 -0.287 0.000 0.871 762 T HN 0.298 nan 8.240 nan 0.000 0.454 763 R N 0.867 120.993 120.500 -0.623 0.000 2.075 763 R HA 0.164 4.499 4.340 -0.009 0.000 0.232 763 R C 2.232 178.226 176.300 -0.511 0.000 1.126 763 R CA 1.141 56.876 56.100 -0.609 0.000 0.963 763 R CB -0.829 28.977 30.300 -0.823 0.000 0.858 763 R HN 0.380 nan 8.270 nan 0.000 0.435 764 L N -1.177 119.688 121.223 -0.596 0.000 2.093 764 L HA -0.009 4.325 4.340 -0.009 0.000 0.208 764 L C 2.268 178.949 176.870 -0.315 0.000 1.085 764 L CA 1.383 55.948 54.840 -0.458 0.000 0.755 764 L CB -0.830 40.933 42.059 -0.494 0.000 0.904 764 L HN 0.408 nan 8.230 nan 0.000 0.435 765 G N -0.032 108.590 108.800 -0.296 0.000 2.421 765 G HA2 -0.358 3.596 3.960 -0.009 0.000 0.216 765 G HA3 -0.358 3.596 3.960 -0.009 0.000 0.216 765 G C 1.559 176.328 174.900 -0.218 0.000 1.171 765 G CA 0.953 45.921 45.100 -0.220 0.000 0.775 765 G HN 0.210 nan 8.290 nan 0.000 0.543 766 M N -0.138 119.317 119.600 -0.242 0.000 2.149 766 M HA 0.024 4.498 4.480 -0.009 0.000 0.261 766 M C 2.124 178.265 176.300 -0.265 0.000 1.064 766 M CA 1.108 56.275 55.300 -0.223 0.000 1.102 766 M CB -0.348 32.120 32.600 -0.220 0.000 1.369 766 M HN 0.136 nan 8.290 nan 0.000 0.408 767 L N 0.190 121.217 121.223 -0.327 0.000 2.056 767 L HA -0.121 4.213 4.340 -0.009 0.000 0.207 767 L C 2.233 178.744 176.870 -0.598 0.000 1.078 767 L CA 1.860 56.386 54.840 -0.523 0.000 0.749 767 L CB -1.209 40.596 42.059 -0.425 0.000 0.901 767 L HN 0.424 nan 8.230 nan 0.000 0.433 768 E N -1.257 118.776 120.200 -0.278 0.000 2.118 768 E HA -0.277 4.068 4.350 -0.009 0.000 0.195 768 E C 2.145 178.672 176.600 -0.120 0.000 0.992 768 E CA 1.228 57.562 56.400 -0.111 0.000 0.804 768 E CB -0.145 29.501 29.700 -0.091 0.000 0.741 768 E HN 0.359 nan 8.360 nan 0.000 0.458 769 M N 0.670 120.167 119.600 -0.171 0.000 2.156 769 M HA -0.116 4.359 4.480 -0.009 0.000 0.264 769 M C 2.143 178.357 176.300 -0.143 0.000 1.067 769 M CA 1.179 56.395 55.300 -0.141 0.000 1.131 769 M CB -0.060 32.455 32.600 -0.142 0.000 1.368 769 M HN 0.010 nan 8.290 nan 0.000 0.416 770 V N 1.024 120.805 119.914 -0.222 0.000 2.343 770 V HA -0.277 3.838 4.120 -0.009 0.000 0.247 770 V C 2.249 178.276 176.094 -0.111 0.000 1.051 770 V CA 1.651 63.838 62.300 -0.187 0.000 1.036 770 V CB -1.038 30.640 31.823 -0.241 0.000 0.654 770 V HN 0.301 nan 8.190 nan 0.000 0.451 771 F N 0.915 120.788 119.950 -0.128 0.000 2.186 771 F HA -0.046 4.476 4.527 -0.009 0.000 0.299 771 F C 2.440 178.158 175.800 -0.136 0.000 1.090 771 F CA 0.783 58.670 58.000 -0.188 0.000 1.307 771 F CB -1.426 37.443 39.000 -0.220 0.000 1.019 771 F HN 0.120 nan 8.300 nan 0.000 0.489 772 A N -0.187 122.671 122.820 0.062 0.000 2.019 772 A HA -0.183 4.131 4.320 -0.009 0.000 0.219 772 A C 2.188 179.758 177.584 -0.024 0.000 1.164 772 A CA 1.551 53.588 52.037 -0.000 0.000 0.644 772 A CB -0.545 18.433 19.000 -0.037 0.000 0.805 772 A HN 0.369 nan 8.150 nan 0.000 0.449 773 K N -0.548 119.836 120.400 -0.027 0.000 2.323 773 K HA 0.320 4.634 4.320 -0.009 0.000 0.197 773 K C 0.903 177.499 176.600 -0.006 0.000 1.043 773 K CA 0.340 56.605 56.287 -0.035 0.000 0.997 773 K CB -0.025 32.441 32.500 -0.056 0.000 0.807 773 K HN 0.413 nan 8.250 nan 0.000 0.497 774 A N 1.996 124.830 122.820 0.023 0.000 2.466 774 A HA 0.014 4.328 4.320 -0.009 0.000 0.238 774 A C -0.295 177.303 177.584 0.023 0.000 1.074 774 A CA 0.254 52.316 52.037 0.043 0.000 0.774 774 A CB 0.238 19.279 19.000 0.069 0.000 1.015 774 A HN 0.170 nan 8.150 nan 0.000 0.498 775 D N 2.291 122.712 120.400 0.035 0.000 2.336 775 D HA 0.260 4.894 4.640 -0.009 0.000 0.248 775 D C 0.668 177.012 176.300 0.073 0.000 1.326 775 D CA -0.351 53.682 54.000 0.054 0.000 0.973 775 D CB 0.727 41.570 40.800 0.072 0.000 1.255 775 D HN 0.428 nan 8.370 nan 0.000 0.558 776 L N 2.140 123.398 121.223 0.058 0.000 2.191 776 L HA -0.066 4.268 4.340 -0.009 0.000 0.212 776 L C 1.960 178.885 176.870 0.092 0.000 1.103 776 L CA 0.851 55.722 54.840 0.052 0.000 0.769 776 L CB -0.119 41.945 42.059 0.007 0.000 0.908 776 L HN 0.486 nan 8.230 nan 0.000 0.438 777 W N 0.648 121.938 121.300 -0.017 0.000 2.409 777 W HA -0.118 4.537 4.660 -0.009 0.000 0.299 777 W C 2.191 178.739 176.519 0.048 0.000 1.203 777 W CA 1.074 58.416 57.345 -0.005 0.000 1.298 777 W CB -0.077 29.363 29.460 -0.034 0.000 1.127 777 W HN -0.070 nan 8.180 nan 0.000 0.528 778 L N 0.341 121.629 121.223 0.107 0.000 2.109 778 L HA -0.119 4.216 4.340 -0.009 0.000 0.207 778 L C 2.671 179.579 176.870 0.064 0.000 1.086 778 L CA 1.192 56.059 54.840 0.045 0.000 0.760 778 L CB -1.221 40.934 42.059 0.160 0.000 0.910 778 L HN 0.049 nan 8.230 nan 0.000 0.437 779 A N -0.107 122.713 122.820 -0.000 0.000 1.940 779 A HA -0.273 4.042 4.320 -0.009 0.000 0.219 779 A C 2.260 179.840 177.584 -0.005 0.000 1.176 779 A CA 1.991 54.020 52.037 -0.013 0.000 0.631 779 A CB -0.459 18.564 19.000 0.038 0.000 0.814 779 A HN 0.497 nan 8.150 nan 0.000 0.446 780 E N -1.800 118.343 120.200 -0.096 0.000 2.152 780 E HA -0.205 4.140 4.350 -0.009 0.000 0.192 780 E C 1.784 178.230 176.600 -0.257 0.000 0.983 780 E CA 1.056 57.340 56.400 -0.194 0.000 0.818 780 E CB -0.313 29.238 29.700 -0.248 0.000 0.758 780 E HN 0.700 nan 8.360 nan 0.000 0.467 781 Y N 0.080 120.127 120.300 -0.422 0.000 2.165 781 Y HA -0.286 4.259 4.550 -0.009 0.000 0.286 781 Y C 1.581 177.366 175.900 -0.191 0.000 1.155 781 Y CA 1.861 59.706 58.100 -0.424 0.000 1.164 781 Y CB -0.444 37.679 38.460 -0.562 0.000 0.978 781 Y HN 0.115 nan 8.280 nan 0.000 0.513 782 Y N 0.648 120.772 120.300 -0.294 0.000 2.181 782 Y HA -0.210 4.335 4.550 -0.009 0.000 0.288 782 Y C 2.369 178.107 175.900 -0.271 0.000 1.146 782 Y CA 1.719 59.642 58.100 -0.294 0.000 1.164 782 Y CB -0.726 37.652 38.460 -0.137 0.000 0.982 782 Y HN 0.168 nan 8.280 nan 0.000 0.515 783 D N -0.216 120.144 120.400 -0.066 0.000 2.104 783 D HA -0.184 4.450 4.640 -0.009 0.000 0.194 783 D C 1.887 178.078 176.300 -0.182 0.000 0.994 783 D CA 1.510 55.449 54.000 -0.101 0.000 0.830 783 D CB -0.408 40.280 40.800 -0.186 0.000 0.959 783 D HN 0.452 nan 8.370 nan 0.000 0.452 784 Q N -0.351 119.203 119.800 -0.410 0.000 2.437 784 Q HA -0.022 4.312 4.340 -0.009 0.000 0.210 784 Q C 1.641 177.562 176.000 -0.132 0.000 0.972 784 Q CA 0.608 56.225 55.803 -0.310 0.000 0.903 784 Q CB 0.313 28.792 28.738 -0.433 0.000 0.967 784 Q HN 0.088 nan 8.270 nan 0.000 0.486 785 R N -0.527 119.814 120.500 -0.265 0.000 2.250 785 R HA 0.204 4.538 4.340 -0.009 0.000 0.194 785 R C 1.473 177.709 176.300 -0.107 0.000 0.927 785 R CA 0.555 56.482 56.100 -0.289 0.000 1.052 785 R CB 0.522 30.469 30.300 -0.587 0.000 1.055 785 R HN 0.233 nan 8.270 nan 0.000 0.537 786 L N -0.321 120.864 121.223 -0.062 0.000 2.948 786 L HA 0.294 4.629 4.340 -0.009 0.000 0.259 786 L C 0.050 176.949 176.870 0.048 0.000 1.136 786 L CA 0.024 54.863 54.840 -0.003 0.000 0.959 786 L CB 0.992 43.012 42.059 -0.064 0.000 1.370 786 L HN -0.290 nan 8.230 nan 0.000 0.552 787 V N 0.276 120.272 119.914 0.137 0.000 2.481 787 V HA 0.174 4.288 4.120 -0.009 0.000 0.286 787 V C -0.425 175.862 176.094 0.322 0.000 1.042 787 V CA -0.720 61.719 62.300 0.232 0.000 0.928 787 V CB 1.818 33.843 31.823 0.337 0.000 0.986 787 V HN 0.058 nan 8.190 nan 0.000 0.462 788 D N 2.712 123.207 120.400 0.159 0.000 2.458 788 D HA 0.079 4.714 4.640 -0.009 0.000 0.243 788 D C 1.147 177.318 176.300 -0.215 0.000 1.146 788 D CA 0.140 54.140 54.000 0.001 0.000 0.877 788 D CB 0.867 41.664 40.800 -0.004 0.000 1.176 788 D HN 0.502 nan 8.370 nan 0.000 0.461 789 K N 2.511 122.541 120.400 -0.617 0.000 2.293 789 K HA -0.214 4.101 4.320 -0.009 0.000 0.204 789 K C 1.708 177.936 176.600 -0.621 0.000 1.045 789 K CA 1.253 56.760 56.287 -1.299 0.000 0.933 789 K CB -0.057 31.803 32.500 -1.066 0.000 0.736 789 K HN 0.459 nan 8.250 nan 0.000 0.463 790 A N 0.580 123.232 122.820 -0.280 0.000 2.066 790 A HA -0.023 4.291 4.320 -0.009 0.000 0.218 790 A C 1.821 179.405 177.584 0.001 0.000 1.157 790 A CA 0.939 52.909 52.037 -0.110 0.000 0.670 790 A CB -0.191 18.772 19.000 -0.061 0.000 0.804 790 A HN 0.192 nan 8.150 nan 0.000 0.453 791 L N -2.439 118.829 121.223 0.075 0.000 2.585 791 L HA 0.025 4.359 4.340 -0.009 0.000 0.226 791 L C 1.857 178.910 176.870 0.304 0.000 1.113 791 L CA -0.356 54.608 54.840 0.206 0.000 0.876 791 L CB -0.189 42.077 42.059 0.345 0.000 1.072 791 L HN 0.454 nan 8.230 nan 0.000 0.468 792 W N 1.157 122.501 121.300 0.073 0.000 2.325 792 W HA -0.095 4.559 4.660 -0.009 0.000 0.299 792 W C -0.342 176.180 176.519 0.005 0.000 1.215 792 W CA 0.812 58.192 57.345 0.058 0.000 1.244 792 W CB -2.212 27.278 29.460 0.049 0.000 1.140 792 W HN 0.136 nan 8.180 nan 0.000 0.523 793 P HA -0.189 nan 4.420 nan 0.000 0.216 793 P C 2.203 179.535 177.300 0.054 0.000 1.150 793 P CA 1.551 64.727 63.100 0.125 0.000 0.837 793 P CB -0.258 31.500 31.700 0.097 0.000 0.786 794 L N -0.963 120.251 121.223 -0.014 0.000 2.027 794 L HA -0.093 4.242 4.340 -0.009 0.000 0.206 794 L C 2.315 179.044 176.870 -0.235 0.000 1.074 794 L CA 2.158 56.926 54.840 -0.119 0.000 0.745 794 L CB -1.300 40.610 42.059 -0.247 0.000 0.898 794 L HN 0.079 nan 8.230 nan 0.000 0.433 795 G N -0.432 108.167 108.800 -0.335 0.000 2.446 795 G HA2 -0.330 3.625 3.960 -0.009 0.000 0.217 795 G HA3 -0.330 3.625 3.960 -0.009 0.000 0.217 795 G C 1.661 176.559 174.900 -0.005 0.000 1.168 795 G CA 0.865 45.875 45.100 -0.149 0.000 0.771 795 G HN 0.294 nan 8.290 nan 0.000 0.551 796 K N 0.347 120.756 120.400 0.015 0.000 2.211 796 K HA -0.054 4.261 4.320 -0.009 0.000 0.203 796 K C 2.288 178.903 176.600 0.025 0.000 1.050 796 K CA 1.276 57.576 56.287 0.022 0.000 0.945 796 K CB -0.090 32.434 32.500 0.040 0.000 0.732 796 K HN 0.495 nan 8.250 nan 0.000 0.451 797 E N 0.452 120.668 120.200 0.026 0.000 2.072 797 E HA -0.142 4.203 4.350 -0.009 0.000 0.190 797 E C 1.897 178.516 176.600 0.032 0.000 0.982 797 E CA 0.651 57.080 56.400 0.048 0.000 0.803 797 E CB 0.064 29.816 29.700 0.088 0.000 0.755 797 E HN 0.289 nan 8.360 nan 0.000 0.453 798 L N 0.265 121.481 121.223 -0.012 0.000 2.141 798 L HA -0.118 4.216 4.340 -0.009 0.000 0.209 798 L C 2.749 179.688 176.870 0.114 0.000 1.094 798 L CA 0.896 55.737 54.840 0.001 0.000 0.763 798 L CB -0.263 41.767 42.059 -0.050 0.000 0.908 798 L HN 0.082 nan 8.230 nan 0.000 0.437 799 R N -0.224 120.313 120.500 0.061 0.000 2.073 799 R HA -0.074 4.261 4.340 -0.009 0.000 0.229 799 R C 2.066 178.343 176.300 -0.038 0.000 1.120 799 R CA 1.040 57.153 56.100 0.021 0.000 0.967 799 R CB -0.177 30.132 30.300 0.015 0.000 0.862 799 R HN 0.393 nan 8.270 nan 0.000 0.436 800 N N 0.832 119.523 118.700 -0.015 0.000 2.244 800 N HA -0.148 4.587 4.740 -0.009 0.000 0.183 800 N C 1.667 177.149 175.510 -0.048 0.000 1.016 800 N CA 0.786 53.817 53.050 -0.032 0.000 0.866 800 N CB -0.083 38.403 38.487 -0.001 0.000 0.980 800 N HN 0.080 nan 8.380 nan 0.000 0.430 801 L N 1.773 122.995 121.223 -0.001 0.000 2.046 801 L HA -0.156 4.178 4.340 -0.009 0.000 0.208 801 L C 2.531 179.326 176.870 -0.124 0.000 1.077 801 L CA 1.607 56.468 54.840 0.034 0.000 0.747 801 L CB -0.685 41.481 42.059 0.178 0.000 0.896 801 L HN 0.205 nan 8.230 nan 0.000 0.432 802 Q N -0.734 118.870 119.800 -0.327 0.000 2.046 802 Q HA -0.242 4.092 4.340 -0.009 0.000 0.200 802 Q C 2.057 177.684 176.000 -0.622 0.000 0.975 802 Q CA 1.892 57.227 55.803 -0.780 0.000 0.836 802 Q CB -0.098 28.094 28.738 -0.910 0.000 0.896 802 Q HN 0.578 nan 8.270 nan 0.000 0.428 803 E N 0.270 120.242 120.200 -0.381 0.000 2.070 803 E HA -0.243 4.102 4.350 -0.009 0.000 0.197 803 E C 1.971 178.407 176.600 -0.274 0.000 1.004 803 E CA 1.624 57.843 56.400 -0.302 0.000 0.805 803 E CB 0.001 29.595 29.700 -0.177 0.000 0.744 803 E HN 0.458 nan 8.360 nan 0.000 0.451 804 E N 0.416 120.494 120.200 -0.203 0.000 2.072 804 E HA -0.180 4.164 4.350 -0.009 0.000 0.191 804 E C 1.764 178.261 176.600 -0.170 0.000 0.985 804 E CA 1.142 57.458 56.400 -0.140 0.000 0.801 804 E CB 0.019 29.678 29.700 -0.068 0.000 0.750 804 E HN 0.198 nan 8.360 nan 0.000 0.452 805 D N 0.678 120.941 120.400 -0.229 0.000 2.144 805 D HA -0.135 4.499 4.640 -0.009 0.000 0.199 805 D C 1.886 177.991 176.300 -0.326 0.000 0.984 805 D CA 0.802 54.684 54.000 -0.197 0.000 0.834 805 D CB -0.152 40.569 40.800 -0.132 0.000 0.955 805 D HN 0.177 nan 8.370 nan 0.000 0.465 806 I N 0.658 120.834 120.570 -0.657 0.000 2.286 806 I HA -0.258 3.906 4.170 -0.009 0.000 0.248 806 I C 2.193 178.150 176.117 -0.267 0.000 1.115 806 I CA 1.089 62.008 61.300 -0.634 0.000 1.392 806 I CB -0.087 37.479 38.000 -0.724 0.000 1.065 806 I HN -0.008 nan 8.210 nan 0.000 0.418 807 K N 0.362 120.635 120.400 -0.212 0.000 2.025 807 K HA -0.125 4.189 4.320 -0.009 0.000 0.207 807 K C 2.064 178.618 176.600 -0.077 0.000 1.049 807 K CA 1.409 57.624 56.287 -0.121 0.000 0.933 807 K CB -0.258 32.182 32.500 -0.100 0.000 0.714 807 K HN 0.155 nan 8.250 nan 0.000 0.438 808 V N 1.298 121.174 119.914 -0.065 0.000 2.287 808 V HA -0.234 3.880 4.120 -0.009 0.000 0.248 808 V C 2.365 178.452 176.094 -0.013 0.000 1.053 808 V CA 1.614 63.900 62.300 -0.024 0.000 1.027 808 V CB -0.592 31.230 31.823 -0.002 0.000 0.646 808 V HN 0.070 nan 8.190 nan 0.000 0.447 809 V N -0.221 119.688 119.914 -0.007 0.000 2.343 809 V HA -0.255 3.859 4.120 -0.009 0.000 0.247 809 V C 2.346 178.427 176.094 -0.021 0.000 1.051 809 V CA 1.959 64.264 62.300 0.008 0.000 1.036 809 V CB -0.597 31.289 31.823 0.105 0.000 0.654 809 V HN 0.440 nan 8.190 nan 0.000 0.451 810 L N -0.131 121.071 121.223 -0.035 0.000 2.093 810 L HA -0.129 4.206 4.340 -0.009 0.000 0.208 810 L C 2.718 179.567 176.870 -0.036 0.000 1.085 810 L CA 1.422 56.236 54.840 -0.044 0.000 0.755 810 L CB -0.725 41.302 42.059 -0.053 0.000 0.904 810 L HN 0.368 nan 8.230 nan 0.000 0.435 811 A N 0.369 123.172 122.820 -0.027 0.000 1.877 811 A HA -0.173 4.142 4.320 -0.009 0.000 0.216 811 A C 2.150 179.730 177.584 -0.007 0.000 1.186 811 A CA 1.447 53.475 52.037 -0.016 0.000 0.620 811 A CB -0.647 18.346 19.000 -0.012 0.000 0.822 811 A HN 0.357 nan 8.150 nan 0.000 0.443 812 I N -0.429 120.140 120.570 -0.002 0.000 2.614 812 I HA -0.205 3.960 4.170 -0.009 0.000 0.258 812 I C 2.406 178.522 176.117 -0.002 0.000 1.189 812 I CA 0.947 62.255 61.300 0.013 0.000 1.462 812 I CB -0.065 37.957 38.000 0.037 0.000 1.092 812 I HN 0.356 nan 8.210 nan 0.000 0.442 813 A N -0.165 122.640 122.820 -0.026 0.000 2.308 813 A HA 0.068 4.383 4.320 -0.009 0.000 0.217 813 A C 0.806 178.369 177.584 -0.035 0.000 1.216 813 A CA -0.121 51.891 52.037 -0.041 0.000 0.864 813 A CB -0.176 18.782 19.000 -0.069 0.000 0.902 813 A HN 0.495 nan 8.150 nan 0.000 0.499 814 N N 1.463 120.149 118.700 -0.024 0.000 2.716 814 N HA -0.131 4.603 4.740 -0.009 0.000 0.250 814 N C -1.106 174.387 175.510 -0.028 0.000 1.033 814 N CA 1.479 54.518 53.050 -0.018 0.000 0.727 814 N CB -0.873 37.610 38.487 -0.008 0.000 0.950 814 N HN 0.589 nan 8.380 nan 0.000 0.541 815 D N -1.299 119.074 120.400 -0.045 0.000 2.374 815 D HA 0.370 5.004 4.640 -0.009 0.000 0.239 815 D C 1.150 177.426 176.300 -0.039 0.000 0.991 815 D CA -0.304 53.656 54.000 -0.067 0.000 0.960 815 D CB 1.250 41.969 40.800 -0.135 0.000 1.284 815 D HN 0.107 nan 8.370 nan 0.000 0.512 816 S N -0.756 114.940 115.700 -0.007 0.000 2.483 816 S HA 0.032 4.497 4.470 -0.009 0.000 0.221 816 S C 0.493 175.162 174.600 0.115 0.000 1.030 816 S CA 0.252 58.493 58.200 0.068 0.000 0.925 816 S CB -0.193 63.087 63.200 0.134 0.000 0.795 816 S HN 0.686 nan 8.310 nan 0.000 0.511 817 H N -1.045 118.009 119.070 -0.027 0.000 2.895 817 H HA 0.709 5.259 4.556 -0.009 0.000 0.373 817 H C -1.115 174.195 175.328 -0.029 0.000 1.174 817 H CA -1.422 54.606 56.048 -0.032 0.000 1.144 817 H CB 0.150 29.895 29.762 -0.029 0.000 1.793 817 H HN -0.092 nan 8.280 nan 0.000 0.551 818 L N 3.758 124.978 121.223 -0.005 0.000 2.601 818 L HA -0.035 4.300 4.340 -0.009 0.000 0.277 818 L C 0.761 177.574 176.870 -0.095 0.000 1.219 818 L CA 0.754 55.568 54.840 -0.045 0.000 0.915 818 L CB -0.686 41.380 42.059 0.011 0.000 1.160 818 L HN 1.014 nan 8.230 nan 0.000 0.494 819 M N 2.054 121.577 119.600 -0.128 0.000 3.179 819 M HA -0.263 4.211 4.480 -0.009 0.000 0.169 819 M C 0.525 176.736 176.300 -0.148 0.000 1.319 819 M CA 1.270 56.494 55.300 -0.126 0.000 0.819 819 M CB -1.793 30.755 32.600 -0.087 0.000 1.251 819 M HN 0.602 nan 8.290 nan 0.000 0.673 820 A N 0.370 123.020 122.820 -0.283 0.000 2.169 820 A HA 0.034 4.348 4.320 -0.009 0.000 0.212 820 A C 1.383 178.926 177.584 -0.069 0.000 1.153 820 A CA 1.178 53.048 52.037 -0.277 0.000 0.756 820 A CB -0.040 18.621 19.000 -0.566 0.000 0.813 820 A HN 0.793 nan 8.150 nan 0.000 0.471 821 D N -0.338 120.020 120.400 -0.070 0.000 2.347 821 D HA 0.068 4.702 4.640 -0.009 0.000 0.215 821 D C 0.282 176.589 176.300 0.011 0.000 0.976 821 D CA 0.792 54.778 54.000 -0.023 0.000 0.884 821 D CB 0.128 40.906 40.800 -0.037 0.000 0.915 821 D HN 0.378 nan 8.370 nan 0.000 0.526 822 L N 1.783 123.012 121.223 0.010 0.000 2.637 822 L HA 0.214 4.549 4.340 -0.009 0.000 0.241 822 L C -1.533 175.377 176.870 0.068 0.000 1.398 822 L CA -1.186 53.678 54.840 0.039 0.000 0.895 822 L CB 1.929 43.985 42.059 -0.004 0.000 1.183 822 L HN -0.205 nan 8.230 nan 0.000 0.497 823 P HA -0.275 nan 4.420 nan 0.000 0.216 823 P C 1.507 178.932 177.300 0.208 0.000 1.153 823 P CA 1.534 64.744 63.100 0.185 0.000 0.858 823 P CB 0.150 31.994 31.700 0.240 0.000 0.789 824 W N 1.300 122.639 121.300 0.066 0.000 2.354 824 W HA -0.157 4.498 4.660 -0.009 0.000 0.315 824 W C 2.034 178.498 176.519 -0.091 0.000 1.206 824 W CA 0.716 58.060 57.345 -0.001 0.000 1.290 824 W CB -0.660 28.843 29.460 0.071 0.000 1.152 824 W HN -0.219 nan 8.180 nan 0.000 0.489 825 I N 1.578 121.933 120.570 -0.359 0.000 2.361 825 I HA -0.286 3.878 4.170 -0.009 0.000 0.251 825 I C 2.791 178.667 176.117 -0.401 0.000 1.133 825 I CA 1.405 62.389 61.300 -0.525 0.000 1.413 825 I CB -0.954 36.892 38.000 -0.256 0.000 1.073 825 I HN 0.021 nan 8.210 nan 0.000 0.424 826 A N 0.312 122.996 122.820 -0.227 0.000 1.877 826 A HA -0.224 4.090 4.320 -0.009 0.000 0.216 826 A C 2.343 179.794 177.584 -0.223 0.000 1.186 826 A CA 1.596 53.540 52.037 -0.156 0.000 0.620 826 A CB -0.472 18.507 19.000 -0.034 0.000 0.822 826 A HN 0.324 nan 8.150 nan 0.000 0.443 827 E N -0.211 119.811 120.200 -0.297 0.000 2.031 827 E HA -0.159 4.186 4.350 -0.009 0.000 0.193 827 E C 2.451 178.781 176.600 -0.450 0.000 0.994 827 E CA 1.370 57.549 56.400 -0.370 0.000 0.800 827 E CB -0.495 28.856 29.700 -0.582 0.000 0.752 827 E HN 0.545 nan 8.360 nan 0.000 0.447 828 S N 0.309 115.568 115.700 -0.735 0.000 2.374 828 S HA -0.153 4.312 4.470 -0.009 0.000 0.227 828 S C 2.146 176.512 174.600 -0.390 0.000 1.037 828 S CA 1.183 58.968 58.200 -0.692 0.000 1.024 828 S CB -0.256 62.331 63.200 -1.021 0.000 0.861 828 S HN 0.221 nan 8.310 nan 0.000 0.456 829 I N 0.773 121.137 120.570 -0.344 0.000 2.252 829 I HA -0.175 3.990 4.170 -0.009 0.000 0.245 829 I C 2.872 178.896 176.117 -0.155 0.000 1.102 829 I CA 1.412 62.578 61.300 -0.224 0.000 1.385 829 I CB -0.479 37.406 38.000 -0.193 0.000 1.064 829 I HN 0.436 nan 8.210 nan 0.000 0.414 830 Q N 0.528 120.236 119.800 -0.154 0.000 2.096 830 Q HA -0.263 4.071 4.340 -0.009 0.000 0.204 830 Q C 2.283 178.240 176.000 -0.072 0.000 0.982 830 Q CA 1.722 57.462 55.803 -0.105 0.000 0.850 830 Q CB -0.082 28.593 28.738 -0.104 0.000 0.901 830 Q HN 0.381 nan 8.270 nan 0.000 0.422 831 L N 0.624 121.802 121.223 -0.075 0.000 2.017 831 L HA -0.174 4.161 4.340 -0.009 0.000 0.208 831 L C 2.090 179.028 176.870 0.114 0.000 1.073 831 L CA 1.793 56.648 54.840 0.025 0.000 0.745 831 L CB -0.278 41.773 42.059 -0.015 0.000 0.894 831 L HN 0.050 nan 8.230 nan 0.000 0.432 832 R N -0.511 119.997 120.500 0.014 0.000 2.115 832 R HA -0.081 4.253 4.340 -0.009 0.000 0.230 832 R C 2.103 178.432 176.300 0.048 0.000 1.111 832 R CA 1.528 57.653 56.100 0.042 0.000 0.976 832 R CB -0.472 29.796 30.300 -0.055 0.000 0.870 832 R HN 0.594 nan 8.270 nan 0.000 0.445 833 N N 0.413 119.108 118.700 -0.008 0.000 2.223 833 N HA -0.120 4.614 4.740 -0.009 0.000 0.185 833 N C 1.738 177.228 175.510 -0.033 0.000 1.016 833 N CA 0.805 53.841 53.050 -0.024 0.000 0.863 833 N CB -0.012 38.446 38.487 -0.047 0.000 0.983 833 N HN 0.164 nan 8.380 nan 0.000 0.429 834 I N -0.123 120.421 120.570 -0.043 0.000 2.252 834 I HA -0.263 3.901 4.170 -0.009 0.000 0.245 834 I C 1.317 177.294 176.117 -0.234 0.000 1.102 834 I CA 1.257 62.463 61.300 -0.156 0.000 1.385 834 I CB -0.162 37.716 38.000 -0.203 0.000 1.064 834 I HN 0.180 nan 8.210 nan 0.000 0.414 835 Y N 0.287 120.573 120.300 -0.023 0.000 2.475 835 Y HA -0.091 4.454 4.550 -0.009 0.000 0.289 835 Y C 2.655 178.563 175.900 0.014 0.000 1.121 835 Y CA 0.932 59.044 58.100 0.020 0.000 1.257 835 Y CB -0.455 38.053 38.460 0.079 0.000 1.026 835 Y HN 0.083 nan 8.280 nan 0.000 0.555 836 T N -0.940 113.676 114.554 0.103 0.000 2.896 836 T HA -0.148 4.196 4.350 -0.009 0.000 0.263 836 T C 1.405 176.091 174.700 -0.023 0.000 1.050 836 T CA 1.273 63.407 62.100 0.055 0.000 1.140 836 T CB -0.368 68.524 68.868 0.041 0.000 0.877 836 T HN 0.369 nan 8.240 nan 0.000 0.457 837 D N 1.790 122.153 120.400 -0.063 0.000 2.204 837 D HA -0.169 4.466 4.640 -0.009 0.000 0.189 837 D C -0.548 175.645 176.300 -0.179 0.000 1.006 837 D CA 1.820 55.763 54.000 -0.096 0.000 0.855 837 D CB -0.438 40.285 40.800 -0.129 0.000 0.946 837 D HN 0.297 nan 8.370 nan 0.000 0.448 838 P HA -0.132 nan 4.420 nan 0.000 0.218 838 P C 1.789 178.775 177.300 -0.524 0.000 1.149 838 P CA 1.039 63.747 63.100 -0.653 0.000 0.817 838 P CB -0.119 30.747 31.700 -1.391 0.000 0.785 839 L N -0.526 120.521 121.223 -0.293 0.000 2.083 839 L HA -0.168 4.166 4.340 -0.009 0.000 0.209 839 L C 2.385 179.258 176.870 0.004 0.000 1.083 839 L CA 1.649 56.449 54.840 -0.068 0.000 0.752 839 L CB -1.082 41.008 42.059 0.051 0.000 0.899 839 L HN -0.014 nan 8.230 nan 0.000 0.433 840 N N -0.837 117.879 118.700 0.027 0.000 2.106 840 N HA -0.164 4.571 4.740 -0.009 0.000 0.188 840 N C 1.800 177.383 175.510 0.121 0.000 1.029 840 N CA 1.123 54.276 53.050 0.171 0.000 0.848 840 N CB -0.088 38.528 38.487 0.215 0.000 1.007 840 N HN -0.009 nan 8.380 nan 0.000 0.423 841 V N 0.845 120.736 119.914 -0.039 0.000 2.490 841 V HA -0.163 3.951 4.120 -0.009 0.000 0.250 841 V C 2.016 178.118 176.094 0.013 0.000 1.061 841 V CA 1.183 63.405 62.300 -0.131 0.000 1.064 841 V CB -0.380 31.275 31.823 -0.280 0.000 0.670 841 V HN 0.310 nan 8.190 nan 0.000 0.461 842 L N -0.177 121.036 121.223 -0.018 0.000 2.131 842 L HA -0.082 4.252 4.340 -0.009 0.000 0.206 842 L C 2.471 179.360 176.870 0.032 0.000 1.087 842 L CA 2.008 56.867 54.840 0.032 0.000 0.767 842 L CB -0.694 41.406 42.059 0.068 0.000 0.917 842 L HN 0.402 nan 8.230 nan 0.000 0.441 843 Q N -0.483 119.335 119.800 0.030 0.000 2.135 843 Q HA -0.220 4.114 4.340 -0.009 0.000 0.204 843 Q C 2.081 178.024 176.000 -0.094 0.000 0.981 843 Q CA 1.835 57.648 55.803 0.017 0.000 0.856 843 Q CB -0.193 28.602 28.738 0.095 0.000 0.902 843 Q HN 0.602 nan 8.270 nan 0.000 0.425 844 A N 0.867 123.544 122.820 -0.239 0.000 1.908 844 A HA -0.219 4.095 4.320 -0.009 0.000 0.218 844 A C 2.033 179.499 177.584 -0.196 0.000 1.181 844 A CA 1.610 53.382 52.037 -0.441 0.000 0.627 844 A CB -0.640 17.983 19.000 -0.627 0.000 0.818 844 A HN 0.440 nan 8.150 nan 0.000 0.445 845 E N -0.037 120.113 120.200 -0.083 0.000 2.072 845 E HA -0.128 4.217 4.350 -0.009 0.000 0.191 845 E C 2.090 178.709 176.600 0.032 0.000 0.985 845 E CA 1.014 57.404 56.400 -0.017 0.000 0.801 845 E CB -0.300 29.408 29.700 0.014 0.000 0.750 845 E HN 0.676 nan 8.360 nan 0.000 0.452 846 L N 0.325 121.557 121.223 0.014 0.000 2.017 846 L HA -0.185 4.150 4.340 -0.009 0.000 0.208 846 L C 2.694 179.566 176.870 0.002 0.000 1.073 846 L CA 0.874 55.725 54.840 0.018 0.000 0.745 846 L CB -0.485 41.587 42.059 0.022 0.000 0.894 846 L HN 0.127 nan 8.230 nan 0.000 0.432 847 L N -0.966 120.245 121.223 -0.020 0.000 2.131 847 L HA -0.252 4.082 4.340 -0.009 0.000 0.210 847 L C 2.760 179.608 176.870 -0.035 0.000 1.092 847 L CA 1.029 55.846 54.840 -0.039 0.000 0.759 847 L CB -0.729 41.292 42.059 -0.063 0.000 0.903 847 L HN 0.432 nan 8.230 nan 0.000 0.435 848 H N 0.811 119.820 119.070 -0.102 0.000 2.363 848 H HA -0.094 4.457 4.556 -0.009 0.000 0.301 848 H C 2.333 177.624 175.328 -0.061 0.000 1.074 848 H CA 1.451 57.445 56.048 -0.091 0.000 1.354 848 H CB 0.261 29.960 29.762 -0.104 0.000 1.397 848 H HN 0.268 nan 8.280 nan 0.000 0.516 849 R N 0.061 120.553 120.500 -0.013 0.000 2.066 849 R HA -0.098 4.237 4.340 -0.009 0.000 0.232 849 R C 2.797 179.042 176.300 -0.092 0.000 1.131 849 R CA 1.248 57.320 56.100 -0.048 0.000 0.955 849 R CB -0.385 29.930 30.300 0.025 0.000 0.851 849 R HN 0.181 nan 8.270 nan 0.000 0.432 850 S N 0.894 116.553 115.700 -0.067 0.000 2.359 850 S HA -0.172 4.292 4.470 -0.009 0.000 0.224 850 S C 1.955 176.498 174.600 -0.096 0.000 1.035 850 S CA 1.329 59.489 58.200 -0.066 0.000 1.018 850 S CB -0.048 63.123 63.200 -0.050 0.000 0.876 850 S HN 0.269 nan 8.310 nan 0.000 0.448 851 R N -0.088 120.335 120.500 -0.129 0.000 2.189 851 R HA 0.036 4.371 4.340 -0.009 0.000 0.223 851 R C 2.470 178.668 176.300 -0.170 0.000 1.092 851 R CA 1.170 57.185 56.100 -0.142 0.000 0.989 851 R CB -0.203 30.007 30.300 -0.150 0.000 0.876 851 R HN 0.398 nan 8.270 nan 0.000 0.457 852 Q N 0.327 119.992 119.800 -0.225 0.000 2.269 852 Q HA 0.072 4.407 4.340 -0.009 0.000 0.201 852 Q C 1.759 177.687 176.000 -0.119 0.000 0.946 852 Q CA 1.337 57.014 55.803 -0.210 0.000 0.877 852 Q CB 0.106 28.673 28.738 -0.284 0.000 0.963 852 Q HN 0.299 nan 8.270 nan 0.000 0.472 853 A N 1.108 123.869 122.820 -0.098 0.000 1.840 853 A HA -0.202 4.112 4.320 -0.009 0.000 0.214 853 A C 1.871 179.420 177.584 -0.059 0.000 1.198 853 A CA 1.604 53.602 52.037 -0.064 0.000 0.608 853 A CB -0.845 18.124 19.000 -0.052 0.000 0.839 853 A HN 0.601 nan 8.150 nan 0.000 0.443 854 E N -0.049 120.114 120.200 -0.062 0.000 2.265 854 E HA -0.225 4.120 4.350 -0.009 0.000 0.196 854 E C 1.824 178.391 176.600 -0.054 0.000 0.996 854 E CA 1.413 57.781 56.400 -0.054 0.000 0.832 854 E CB -0.263 29.404 29.700 -0.055 0.000 0.756 854 E HN 0.663 nan 8.360 nan 0.000 0.491 855 K N 0.787 121.148 120.400 -0.065 0.000 2.305 855 K HA -0.095 4.219 4.320 -0.009 0.000 0.199 855 K C 1.487 178.058 176.600 -0.049 0.000 1.047 855 K CA 0.870 57.121 56.287 -0.060 0.000 0.976 855 K CB 0.276 32.731 32.500 -0.075 0.000 0.765 855 K HN -0.023 nan 8.250 nan 0.000 0.474 856 E N -0.680 119.491 120.200 -0.049 0.000 2.478 856 E HA 0.064 4.408 4.350 -0.009 0.000 0.194 856 E C 0.812 177.393 176.600 -0.032 0.000 1.045 856 E CA 0.821 57.198 56.400 -0.039 0.000 0.868 856 E CB 0.486 30.162 29.700 -0.039 0.000 0.885 856 E HN 0.514 nan 8.360 nan 0.000 0.505 857 G N 0.073 108.853 108.800 -0.033 0.000 2.299 857 G HA2 -0.364 3.590 3.960 -0.009 0.000 0.237 857 G HA3 -0.364 3.590 3.960 -0.009 0.000 0.237 857 G C 0.244 175.128 174.900 -0.027 0.000 1.027 857 G CA 0.293 45.376 45.100 -0.028 0.000 0.619 857 G HN 0.382 nan 8.290 nan 0.000 0.513 858 Q N 1.247 121.030 119.800 -0.027 0.000 2.539 858 Q HA 0.324 4.658 4.340 -0.009 0.000 0.268 858 Q C 0.268 176.253 176.000 -0.026 0.000 1.109 858 Q CA 0.657 56.446 55.803 -0.024 0.000 0.968 858 Q CB 0.378 29.102 28.738 -0.024 0.000 1.309 858 Q HN 0.702 nan 8.270 nan 0.000 0.497 859 E N 1.261 121.448 120.200 -0.022 0.000 2.373 859 E HA 0.197 4.542 4.350 -0.009 0.000 0.263 859 E C -2.227 174.359 176.600 -0.023 0.000 1.073 859 E CA -1.806 54.580 56.400 -0.022 0.000 0.894 859 E CB -0.103 29.586 29.700 -0.018 0.000 1.008 859 E HN 0.315 nan 8.360 nan 0.000 0.420 860 P HA -0.016 nan 4.420 nan 0.000 0.267 860 P C -0.815 176.473 177.300 -0.020 0.000 1.209 860 P CA 0.029 63.114 63.100 -0.025 0.000 0.763 860 P CB 0.394 32.078 31.700 -0.026 0.000 0.816 861 D N 5.171 125.560 120.400 -0.019 0.000 2.317 861 D HA 0.040 4.674 4.640 -0.009 0.000 0.252 861 D C -1.150 175.143 176.300 -0.013 0.000 1.174 861 D CA -2.244 51.748 54.000 -0.013 0.000 0.866 861 D CB 0.880 41.675 40.800 -0.010 0.000 1.127 861 D HN 0.178 nan 8.370 nan 0.000 0.467 862 P HA -0.199 nan 4.420 nan 0.000 0.216 862 P C 1.134 178.428 177.300 -0.012 0.000 1.153 862 P CA 1.135 64.227 63.100 -0.014 0.000 0.858 862 P CB 0.460 32.152 31.700 -0.014 0.000 0.789 863 R N -0.333 120.162 120.500 -0.008 0.000 2.075 863 R HA -0.046 4.289 4.340 -0.009 0.000 0.232 863 R C 2.511 178.811 176.300 -0.000 0.000 1.126 863 R CA 1.197 57.294 56.100 -0.005 0.000 0.963 863 R CB -1.149 29.151 30.300 -0.000 0.000 0.858 863 R HN 0.086 nan 8.270 nan 0.000 0.435 864 V N 1.338 121.252 119.914 0.001 0.000 2.343 864 V HA -0.233 3.882 4.120 -0.009 0.000 0.247 864 V C 2.102 178.196 176.094 0.001 0.000 1.051 864 V CA 1.797 64.099 62.300 0.004 0.000 1.036 864 V CB -0.445 31.378 31.823 -0.001 0.000 0.654 864 V HN 0.344 nan 8.190 nan 0.000 0.451 865 E N -0.312 119.884 120.200 -0.006 0.000 2.051 865 E HA -0.256 4.089 4.350 -0.009 0.000 0.192 865 E C 2.391 178.988 176.600 -0.004 0.000 0.991 865 E CA 1.398 57.793 56.400 -0.008 0.000 0.799 865 E CB -0.135 29.556 29.700 -0.014 0.000 0.748 865 E HN 0.668 nan 8.360 nan 0.000 0.449 866 Q N -0.022 119.774 119.800 -0.007 0.000 2.124 866 Q HA -0.133 4.202 4.340 -0.009 0.000 0.202 866 Q C 2.213 178.214 176.000 0.002 0.000 0.977 866 Q CA 1.173 56.971 55.803 -0.009 0.000 0.850 866 Q CB -0.135 28.591 28.738 -0.019 0.000 0.901 866 Q HN 0.206 nan 8.270 nan 0.000 0.429 867 A N 1.102 123.927 122.820 0.009 0.000 1.933 867 A HA -0.167 4.147 4.320 -0.009 0.000 0.218 867 A C 2.028 179.636 177.584 0.040 0.000 1.175 867 A CA 0.906 52.960 52.037 0.028 0.000 0.628 867 A CB -0.678 18.343 19.000 0.035 0.000 0.814 867 A HN 0.367 nan 8.150 nan 0.000 0.444 868 L N -0.952 120.288 121.223 0.029 0.000 2.046 868 L HA -0.212 4.122 4.340 -0.009 0.000 0.208 868 L C 2.759 179.653 176.870 0.040 0.000 1.077 868 L CA 1.697 56.557 54.840 0.033 0.000 0.747 868 L CB -0.274 41.795 42.059 0.017 0.000 0.896 868 L HN 0.456 nan 8.230 nan 0.000 0.432 869 M N -1.515 118.102 119.600 0.028 0.000 2.108 869 M HA -0.229 4.245 4.480 -0.009 0.000 0.261 869 M C 2.171 178.497 176.300 0.043 0.000 1.066 869 M CA 1.420 56.737 55.300 0.029 0.000 1.107 869 M CB -0.436 32.169 32.600 0.008 0.000 1.356 869 M HN 0.144 nan 8.290 nan 0.000 0.406 870 V N 0.684 120.623 119.914 0.043 0.000 2.332 870 V HA -0.270 3.844 4.120 -0.009 0.000 0.248 870 V C 2.690 178.838 176.094 0.091 0.000 1.055 870 V CA 2.407 64.743 62.300 0.059 0.000 1.038 870 V CB -1.235 30.621 31.823 0.055 0.000 0.651 870 V HN 0.670 nan 8.190 nan 0.000 0.450 871 T N -1.527 113.084 114.554 0.094 0.000 2.770 871 T HA -0.116 4.228 4.350 -0.009 0.000 0.263 871 T C 1.859 176.623 174.700 0.105 0.000 1.039 871 T CA 1.566 63.731 62.100 0.109 0.000 1.142 871 T CB -0.487 68.443 68.868 0.103 0.000 0.868 871 T HN 0.362 nan 8.240 nan 0.000 0.435 872 I N 2.197 122.825 120.570 0.098 0.000 2.118 872 I HA -0.189 3.975 4.170 -0.009 0.000 0.241 872 I C 3.251 179.446 176.117 0.131 0.000 1.070 872 I CA 1.578 62.944 61.300 0.111 0.000 1.327 872 I CB -0.688 37.375 38.000 0.106 0.000 1.034 872 I HN 0.393 nan 8.210 nan 0.000 0.405 873 A N 0.700 123.593 122.820 0.121 0.000 1.930 873 A HA -0.075 4.240 4.320 -0.009 0.000 0.217 873 A C 2.409 180.080 177.584 0.145 0.000 1.175 873 A CA 1.768 53.887 52.037 0.137 0.000 0.627 873 A CB -1.266 17.784 19.000 0.083 0.000 0.815 873 A HN 0.482 nan 8.150 nan 0.000 0.443 874 G N 0.021 108.898 108.800 0.129 0.000 2.394 874 G HA2 -0.126 3.829 3.960 -0.009 0.000 0.215 874 G HA3 -0.126 3.829 3.960 -0.009 0.000 0.215 874 G C 1.511 176.485 174.900 0.124 0.000 1.165 874 G CA 1.005 46.188 45.100 0.140 0.000 0.784 874 G HN 0.458 nan 8.290 nan 0.000 0.535 875 I N 1.450 122.081 120.570 0.102 0.000 2.226 875 I HA -0.189 3.976 4.170 -0.009 0.000 0.245 875 I C 3.253 179.387 176.117 0.028 0.000 1.100 875 I CA 0.989 62.327 61.300 0.064 0.000 1.374 875 I CB -0.184 37.851 38.000 0.058 0.000 1.057 875 I HN 0.246 nan 8.210 nan 0.000 0.413 876 A N 0.698 123.542 122.820 0.040 0.000 1.930 876 A HA -0.083 4.232 4.320 -0.009 0.000 0.217 876 A C 2.525 180.148 177.584 0.065 0.000 1.175 876 A CA 1.644 53.672 52.037 -0.016 0.000 0.627 876 A CB -0.655 18.387 19.000 0.069 0.000 0.815 876 A HN 0.426 nan 8.150 nan 0.000 0.443 877 A N -0.671 122.243 122.820 0.157 0.000 1.969 877 A HA 0.199 4.514 4.320 -0.009 0.000 0.218 877 A C 2.269 179.936 177.584 0.138 0.000 1.169 877 A CA 1.697 53.881 52.037 0.245 0.000 0.635 877 A CB -0.989 18.175 19.000 0.272 0.000 0.810 877 A HN 0.656 nan 8.150 nan 0.000 0.445 878 G N -1.481 107.360 108.800 0.068 0.000 2.453 878 G HA2 0.008 3.962 3.960 -0.009 0.000 0.215 878 G HA3 0.008 3.962 3.960 -0.009 0.000 0.215 878 G C 1.379 176.234 174.900 -0.076 0.000 1.147 878 G CA 0.817 45.921 45.100 0.006 0.000 0.802 878 G HN 0.325 nan 8.290 nan 0.000 0.535 879 M N -0.184 119.369 119.600 -0.077 0.000 2.435 879 M HA 0.272 4.746 4.480 -0.009 0.000 0.265 879 M C 1.502 177.706 176.300 -0.160 0.000 1.104 879 M CA 0.222 55.452 55.300 -0.117 0.000 1.140 879 M CB -0.746 31.785 32.600 -0.115 0.000 1.372 879 M HN 0.245 nan 8.290 nan 0.000 0.456 880 R N 1.081 121.488 120.500 -0.155 0.000 3.910 880 R HA -0.199 4.136 4.340 -0.009 0.000 0.415 880 R C 0.279 176.516 176.300 -0.105 0.000 0.241 880 R CA 1.562 57.571 56.100 -0.152 0.000 1.327 880 R CB -1.923 28.175 30.300 -0.336 0.000 1.012 880 R HN 0.550 nan 8.270 nan 0.000 0.557 881 N N 2.249 120.900 118.700 -0.082 0.000 2.416 881 N HA -0.005 4.729 4.740 -0.009 0.000 0.265 881 N C 0.300 175.771 175.510 -0.064 0.000 1.195 881 N CA 0.901 53.927 53.050 -0.040 0.000 0.943 881 N CB 1.128 39.608 38.487 -0.012 0.000 1.115 881 N HN 0.687 nan 8.380 nan 0.000 0.481 882 T N -1.189 113.330 114.554 -0.058 0.000 3.084 882 T HA 0.414 4.758 4.350 -0.009 0.000 0.270 882 T C 0.613 175.307 174.700 -0.011 0.000 1.008 882 T CA -0.085 61.982 62.100 -0.055 0.000 0.900 882 T CB 0.125 68.940 68.868 -0.089 0.000 1.084 882 T HN 0.607 nan 8.240 nan 0.000 0.538 883 G N 0.000 108.819 108.800 0.032 0.000 5.446 883 G HA2 0.000 3.954 3.960 -0.009 0.000 0.244 883 G HA3 0.000 3.954 3.960 -0.009 0.000 0.244 883 G CA 0.000 45.152 45.100 0.087 0.000 0.502 883 G HN 0.000 nan 8.290 nan 0.000 0.925