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 2id0_1_D DATA FIRST_RESID 5 DATA SEQUENCE NPLLAQLKQQ LHSQTPRAEG VVKATEKGFG FLEVDAQKSY FIPPPQXKKV DATA SEQUENCE XHGDRIIAVI HSEKERESAE PEELVEPFLT RFVGKVQGKN DRLAIVPDHP DATA SEQUENCE LLKDAIPCRA ARGLNHEFKE GDWAVAEXRR HPLKGDRSFY AELTQYITFG DATA SEQUENCE DDHFVPWWVT LARHNLEKEA PDGVATEXLD EGLVREDLTA LDFVTIDSAS DATA SEQUENCE TEDXDDALFA KALPDDKLQL IVAIADPTAW IAEGSKLDKA AKIRAFTNYL DATA SEQUENCE PGFNIPXLPR ELSDDLCSLR ANEVRPVLAC RXTLSADGTI EDNIEFFAAT DATA SEQUENCE IESKAKLVYD QVSDWLENTG DWQPESEAIA EQVRLLAQIC QRRGEWRHNH DATA SEQUENCE ALVFKDRPDY RFILGEKGEV LDIVAEPRRI ANRIVEEAXI AANICAARVL DATA SEQUENCE RDKLGFGIYN VHXGFDPANA DALAALLKTH GLHVDAEEVL TLDGFCKLRR DATA SEQUENCE ELDAQPTGFL DSRIRRFQSF AEISTEPGPH FGLGLEAYAT WTSPIRKYGD DATA SEQUENCE XINHRLLKAV IKGXXXXRPQ DEITVQXAER RRLNRXAERD VGDWLYARFL DATA SEQUENCE KDKAGTDTRF AAEIVDISRG GXRVRLVDNG AIAFIPAPFL HAVRDELVCS DATA SEQUENCE QENGTVQIKG ETVYKVTDVI DVTIAEVRXE TRSIIARPVA 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.508 175.510 -0.003 0.000 1.280 5 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 5 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 6 P HA 0.333 nan 4.420 nan 0.000 0.221 6 P C 1.495 178.795 177.300 0.000 0.000 1.152 6 P CA 0.294 63.393 63.100 -0.001 0.000 0.851 6 P CB 0.469 32.169 31.700 -0.001 0.000 0.833 7 L N 0.038 121.262 121.223 0.001 0.000 1.963 7 L HA -0.194 4.146 4.340 -0.000 0.000 0.220 7 L C 2.397 179.269 176.870 0.003 0.000 1.076 7 L CA 1.586 56.427 54.840 0.002 0.000 0.772 7 L CB -2.043 40.017 42.059 0.002 0.000 0.892 7 L HN -0.029 nan 8.230 nan 0.000 0.435 8 L N -0.148 121.076 121.223 0.002 0.000 2.030 8 L HA -0.295 4.045 4.340 -0.000 0.000 0.222 8 L C 2.542 179.413 176.870 0.002 0.000 1.082 8 L CA 2.477 57.318 54.840 0.002 0.000 0.785 8 L CB -1.422 40.637 42.059 -0.000 0.000 0.895 8 L HN 0.334 nan 8.230 nan 0.000 0.439 9 A N -1.590 121.229 122.820 -0.001 0.000 1.940 9 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 9 A C 2.166 179.751 177.584 0.003 0.000 1.176 9 A CA 1.915 53.951 52.037 -0.003 0.000 0.631 9 A CB -0.572 18.425 19.000 -0.005 0.000 0.814 9 A HN 0.687 nan 8.150 nan 0.000 0.446 10 Q N -1.216 118.587 119.800 0.005 0.000 2.061 10 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 10 Q C 2.124 178.132 176.000 0.013 0.000 0.984 10 Q CA 1.704 57.513 55.803 0.009 0.000 0.846 10 Q CB -0.343 28.399 28.738 0.007 0.000 0.902 10 Q HN 0.626 nan 8.270 nan 0.000 0.421 11 L N 1.052 122.282 121.223 0.012 0.000 2.005 11 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 11 L C 1.749 178.631 176.870 0.021 0.000 1.072 11 L CA 1.865 56.714 54.840 0.014 0.000 0.744 11 L CB -0.372 41.694 42.059 0.011 0.000 0.895 11 L HN -0.009 nan 8.230 nan 0.000 0.433 12 K N -0.757 119.654 120.400 0.019 0.000 2.228 12 K HA -0.265 4.055 4.320 -0.000 0.000 0.205 12 K C 2.133 178.764 176.600 0.052 0.000 1.045 12 K CA 1.855 58.158 56.287 0.027 0.000 0.931 12 K CB -0.144 32.360 32.500 0.006 0.000 0.727 12 K HN 0.579 nan 8.250 nan 0.000 0.458 13 Q N 0.443 120.268 119.800 0.043 0.000 2.204 13 Q HA -0.094 4.246 4.340 -0.000 0.000 0.198 13 Q C 1.920 177.961 176.000 0.069 0.000 0.946 13 Q CA 0.779 56.619 55.803 0.062 0.000 0.859 13 Q CB 0.310 29.069 28.738 0.034 0.000 0.946 13 Q HN 0.370 nan 8.270 nan 0.000 0.474 14 Q N 0.240 120.065 119.800 0.041 0.000 2.079 14 Q HA -0.109 4.230 4.340 -0.000 0.000 0.200 14 Q C 2.304 178.322 176.000 0.029 0.000 0.974 14 Q CA 1.072 56.892 55.803 0.028 0.000 0.840 14 Q CB 0.002 28.750 28.738 0.017 0.000 0.898 14 Q HN 0.378 nan 8.270 nan 0.000 0.430 15 L N -0.232 121.014 121.223 0.039 0.000 2.043 15 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 15 L C 2.473 179.380 176.870 0.061 0.000 1.075 15 L CA 1.553 56.418 54.840 0.042 0.000 0.752 15 L CB -0.594 41.492 42.059 0.045 0.000 0.891 15 L HN 0.312 nan 8.230 nan 0.000 0.432 16 H N -0.166 118.899 119.070 -0.009 0.000 2.421 16 H HA -0.151 4.404 4.556 -0.000 0.000 0.298 16 H C 2.409 177.727 175.328 -0.017 0.000 1.087 16 H CA 1.539 57.580 56.048 -0.012 0.000 1.330 16 H CB 0.105 29.861 29.762 -0.011 0.000 1.388 16 H HN 0.383 nan 8.280 nan 0.000 0.526 17 S N -1.412 114.250 115.700 -0.065 0.000 2.470 17 S HA -0.062 4.408 4.470 -0.000 0.000 0.225 17 S C 2.276 176.811 174.600 -0.109 0.000 1.006 17 S CA 0.813 58.943 58.200 -0.116 0.000 0.934 17 S CB -0.360 62.817 63.200 -0.038 0.000 0.778 17 S HN 0.655 nan 8.310 nan 0.000 0.517 18 Q N 1.234 120.989 119.800 -0.074 0.000 2.297 18 Q HA 0.178 4.517 4.340 -0.000 0.000 0.204 18 Q C 1.364 177.317 176.000 -0.079 0.000 0.962 18 Q CA 1.308 57.076 55.803 -0.059 0.000 0.879 18 Q CB -1.658 27.062 28.738 -0.030 0.000 0.947 18 Q HN 0.636 nan 8.270 nan 0.000 0.462 19 T N 3.091 117.578 114.554 -0.112 0.000 2.933 19 T HA 0.221 4.571 4.350 -0.000 0.000 0.306 19 T C -2.270 172.351 174.700 -0.131 0.000 1.045 19 T CA -0.504 61.525 62.100 -0.119 0.000 1.143 19 T CB 0.801 69.579 68.868 -0.149 0.000 1.003 19 T HN 0.414 nan 8.240 nan 0.000 0.540 20 P HA 0.161 nan 4.420 nan 0.000 0.262 20 P C -0.301 176.895 177.300 -0.174 0.000 1.199 20 P CA 0.148 63.173 63.100 -0.125 0.000 0.763 20 P CB 0.547 32.181 31.700 -0.109 0.000 0.790 21 R N 2.029 122.435 120.500 -0.157 0.000 2.905 21 R HA 0.909 5.249 4.340 -0.000 0.000 0.260 21 R C -0.973 175.228 176.300 -0.165 0.000 1.086 21 R CA -1.162 54.833 56.100 -0.174 0.000 0.978 21 R CB 2.103 32.319 30.300 -0.141 0.000 1.215 21 R HN 0.452 nan 8.270 nan 0.000 0.480 22 A N 1.247 123.966 122.820 -0.169 0.000 2.456 22 A HA 0.356 4.676 4.320 -0.000 0.000 0.288 22 A C -1.278 176.267 177.584 -0.066 0.000 1.042 22 A CA -0.627 51.333 52.037 -0.129 0.000 0.738 22 A CB 1.638 20.474 19.000 -0.273 0.000 1.266 22 A HN 0.679 nan 8.150 nan 0.000 0.407 23 E N 1.264 121.452 120.200 -0.019 0.000 2.373 23 E HA 0.681 5.031 4.350 -0.000 0.000 0.263 23 E C 0.582 177.197 176.600 0.024 0.000 1.073 23 E CA 1.201 57.599 56.400 -0.004 0.000 0.894 23 E CB 1.129 30.828 29.700 -0.000 0.000 1.008 23 E HN 1.475 nan 8.360 nan 0.000 0.420 24 G N 0.512 109.324 108.800 0.021 0.000 2.323 24 G HA2 0.351 4.311 3.960 -0.000 0.000 0.291 24 G HA3 0.351 4.311 3.960 -0.000 0.000 0.291 24 G C -1.644 173.269 174.900 0.022 0.000 1.278 24 G CA -0.312 44.810 45.100 0.037 0.000 0.860 24 G HN 0.510 nan 8.290 nan 0.000 0.504 25 V N 0.010 119.938 119.914 0.023 0.000 2.604 25 V HA 0.575 4.695 4.120 -0.000 0.000 0.305 25 V C 0.154 176.242 176.094 -0.010 0.000 1.043 25 V CA -0.767 61.526 62.300 -0.012 0.000 0.888 25 V CB 1.732 33.537 31.823 -0.030 0.000 0.995 25 V HN 0.714 nan 8.190 nan 0.000 0.429 26 V N 5.461 125.343 119.914 -0.053 0.000 2.455 26 V HA 0.299 4.418 4.120 -0.000 0.000 0.273 26 V C 0.217 176.271 176.094 -0.066 0.000 1.045 26 V CA -0.488 61.795 62.300 -0.028 0.000 0.976 26 V CB 0.916 32.719 31.823 -0.033 0.000 0.993 26 V HN 0.695 nan 8.190 nan 0.000 0.475 27 K N 4.441 124.903 120.400 0.103 0.000 2.293 27 K HA 0.676 4.996 4.320 -0.000 0.000 0.267 27 K C -0.094 176.674 176.600 0.282 0.000 1.010 27 K CA -0.164 56.268 56.287 0.243 0.000 0.875 27 K CB 1.989 34.602 32.500 0.187 0.000 1.106 27 K HN 0.706 nan 8.250 nan 0.000 0.450 28 A N 2.747 125.752 122.820 0.309 0.000 2.304 28 A HA 0.522 4.842 4.320 -0.000 0.000 0.301 28 A C -0.014 177.531 177.584 -0.064 0.000 1.132 28 A CA -0.284 51.775 52.037 0.038 0.000 0.819 28 A CB 0.438 19.406 19.000 -0.053 0.000 1.094 28 A HN 0.589 nan 8.150 nan 0.000 0.492 29 T N 1.478 115.963 114.554 -0.116 0.000 2.928 29 T HA 0.516 4.865 4.350 -0.000 0.000 0.284 29 T C 1.862 176.408 174.700 -0.257 0.000 1.008 29 T CA 0.289 62.274 62.100 -0.192 0.000 1.057 29 T CB 1.402 70.029 68.868 -0.402 0.000 1.018 29 T HN 0.974 nan 8.240 nan 0.000 0.493 30 E N 1.839 121.916 120.200 -0.205 0.000 2.132 30 E HA -0.227 4.122 4.350 -0.000 0.000 0.218 30 E C 1.613 178.081 176.600 -0.220 0.000 1.058 30 E CA 2.461 58.753 56.400 -0.179 0.000 0.882 30 E CB -1.607 28.017 29.700 -0.126 0.000 0.774 30 E HN 0.905 nan 8.360 nan 0.000 0.467 31 K N -0.741 119.468 120.400 -0.318 0.000 2.558 31 K HA 0.406 4.726 4.320 -0.000 0.000 0.276 31 K C 2.041 178.425 176.600 -0.360 0.000 1.098 31 K CA 0.939 57.007 56.287 -0.364 0.000 0.881 31 K CB -0.982 31.186 32.500 -0.553 0.000 1.074 31 K HN 0.821 nan 8.250 nan 0.000 0.487 32 G N -1.090 107.512 108.800 -0.330 0.000 2.850 32 G HA2 0.338 4.298 3.960 -0.000 0.000 0.211 32 G HA3 0.338 4.298 3.960 -0.000 0.000 0.211 32 G C 0.471 175.286 174.900 -0.142 0.000 1.124 32 G CA 0.478 45.474 45.100 -0.172 0.000 0.769 32 G HN 0.750 nan 8.290 nan 0.000 0.535 33 F N 0.515 120.423 119.950 -0.070 0.000 2.370 33 F HA 0.827 5.354 4.527 -0.000 0.000 0.319 33 F C 0.453 176.152 175.800 -0.169 0.000 1.129 33 F CA -1.378 56.515 58.000 -0.178 0.000 1.109 33 F CB 1.008 39.958 39.000 -0.083 0.000 1.262 33 F HN 0.134 nan 8.300 nan 0.000 0.534 34 G N -0.003 108.793 108.800 -0.008 0.000 2.634 34 G HA2 0.603 4.563 3.960 -0.000 0.000 0.309 34 G HA3 0.603 4.563 3.960 -0.000 0.000 0.309 34 G C -2.309 172.514 174.900 -0.128 0.000 1.299 34 G CA -1.010 44.115 45.100 0.042 0.000 0.798 34 G HN 0.597 nan 8.290 nan 0.000 0.490 35 F N -1.217 118.790 119.950 0.095 0.000 2.603 35 F HA 0.678 5.205 4.527 -0.000 0.000 0.317 35 F C -0.485 175.364 175.800 0.082 0.000 1.066 35 F CA -0.803 57.266 58.000 0.115 0.000 0.941 35 F CB 2.469 41.556 39.000 0.145 0.000 1.291 35 F HN 0.357 nan 8.300 nan 0.000 0.472 36 L N 2.218 123.640 121.223 0.333 0.000 2.283 36 L HA 0.393 4.733 4.340 -0.000 0.000 0.281 36 L C -0.405 176.614 176.870 0.248 0.000 1.033 36 L CA -0.117 54.864 54.840 0.235 0.000 0.848 36 L CB 0.620 42.794 42.059 0.191 0.000 1.226 36 L HN 0.500 nan 8.230 nan 0.000 0.429 37 E N 3.679 123.976 120.200 0.161 0.000 2.003 37 E HA 0.106 4.455 4.350 -0.000 0.000 0.279 37 E C 0.600 177.255 176.600 0.092 0.000 1.132 37 E CA -0.212 56.252 56.400 0.107 0.000 0.888 37 E CB 1.148 30.878 29.700 0.050 0.000 1.056 37 E HN 0.609 nan 8.360 nan 0.000 0.399 38 V N 2.102 122.087 119.914 0.118 0.000 2.426 38 V HA -0.008 4.112 4.120 -0.000 0.000 0.242 38 V C 1.005 177.134 176.094 0.058 0.000 1.036 38 V CA 2.016 64.377 62.300 0.102 0.000 1.044 38 V CB -0.486 31.435 31.823 0.163 0.000 0.688 38 V HN 0.723 nan 8.190 nan 0.000 0.462 39 D N -1.326 119.100 120.400 0.044 0.000 2.989 39 D HA 0.771 5.411 4.640 -0.000 0.000 0.284 39 D C 0.992 177.291 176.300 -0.002 0.000 1.212 39 D CA 0.228 54.238 54.000 0.017 0.000 1.055 39 D CB 1.003 41.812 40.800 0.014 0.000 1.351 39 D HN 0.229 nan 8.370 nan 0.000 0.611 40 A N -2.447 120.365 122.820 -0.013 0.000 2.140 40 A HA 0.474 4.793 4.320 -0.000 0.000 0.209 40 A C 2.149 179.713 177.584 -0.033 0.000 1.181 40 A CA 2.056 54.078 52.037 -0.026 0.000 0.824 40 A CB -0.144 18.841 19.000 -0.024 0.000 0.879 40 A HN 1.010 nan 8.150 nan 0.000 0.480 41 Q N 0.200 119.984 119.800 -0.028 0.000 2.396 41 Q HA 0.259 4.599 4.340 -0.000 0.000 0.220 41 Q C 0.743 176.711 176.000 -0.052 0.000 0.900 41 Q CA 0.761 56.542 55.803 -0.036 0.000 0.925 41 Q CB -0.408 28.315 28.738 -0.025 0.000 1.065 41 Q HN 0.615 nan 8.270 nan 0.000 0.535 42 K N 1.714 122.091 120.400 -0.038 0.000 2.347 42 K HA 0.513 4.833 4.320 -0.000 0.000 0.262 42 K C -1.019 175.563 176.600 -0.031 0.000 1.052 42 K CA -0.198 56.055 56.287 -0.057 0.000 0.946 42 K CB 1.485 33.993 32.500 0.013 0.000 1.220 42 K HN 0.339 nan 8.250 nan 0.000 0.450 43 S N 2.804 118.444 115.700 -0.100 0.000 2.668 43 S HA 0.376 4.846 4.470 -0.000 0.000 0.277 43 S C -0.914 173.707 174.600 0.034 0.000 1.170 43 S CA -0.797 57.429 58.200 0.042 0.000 0.994 43 S CB 0.411 63.637 63.200 0.043 0.000 1.051 43 S HN 0.376 nan 8.310 nan 0.000 0.484 44 Y N 2.332 122.767 120.300 0.225 0.000 2.421 44 Y HA 0.667 5.217 4.550 -0.000 0.000 0.366 44 Y C 0.092 176.192 175.900 0.334 0.000 1.360 44 Y CA -0.761 57.482 58.100 0.239 0.000 1.663 44 Y CB 0.485 39.033 38.460 0.147 0.000 1.677 44 Y HN 0.780 nan 8.280 nan 0.000 0.584 45 F N 1.031 121.113 119.950 0.219 0.000 2.539 45 F HA 0.602 5.129 4.527 -0.000 0.000 0.318 45 F C -1.601 174.192 175.800 -0.010 0.000 1.135 45 F CA -1.196 56.758 58.000 -0.078 0.000 0.915 45 F CB 0.671 39.567 39.000 -0.174 0.000 1.176 45 F HN 0.184 nan 8.300 nan 0.000 0.440 46 I N 7.751 127.898 120.570 -0.706 0.000 2.312 46 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 46 I C -2.231 173.276 176.117 -1.016 0.000 1.008 46 I CA -2.167 58.770 61.300 -0.606 0.000 1.226 46 I CB 0.922 38.771 38.000 -0.252 0.000 1.371 46 I HN 0.441 nan 8.210 nan 0.000 0.468 47 P HA -0.046 nan 4.420 nan 0.000 0.264 47 P C -1.966 175.215 177.300 -0.198 0.000 1.173 47 P CA -0.621 62.249 63.100 -0.384 0.000 0.761 47 P CB 0.002 31.657 31.700 -0.074 0.000 0.794 48 P HA -0.128 nan 4.420 nan 0.000 0.217 48 P C -1.249 176.048 177.300 -0.004 0.000 1.148 48 P CA 2.104 65.218 63.100 0.024 0.000 0.828 48 P CB -1.313 30.457 31.700 0.117 0.000 0.783 49 P HA -0.006 nan 4.420 nan 0.000 0.224 49 P C 0.959 178.250 177.300 -0.015 0.000 1.159 49 P CA 0.840 63.937 63.100 -0.005 0.000 0.824 49 P CB -0.165 31.537 31.700 0.004 0.000 0.833 53 K N 1.650 122.066 120.400 0.026 0.000 2.366 53 K HA 0.065 4.385 4.320 -0.000 0.000 0.198 53 K C 1.161 177.766 176.600 0.009 0.000 1.044 53 K CA 0.913 57.186 56.287 -0.024 0.000 0.973 53 K CB 0.477 32.969 32.500 -0.013 0.000 0.767 53 K HN 0.187 nan 8.250 nan 0.000 0.475 57 G N 3.329 111.439 108.800 -1.149 0.000 2.225 57 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 57 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 57 G C -0.147 174.592 174.900 -0.269 0.000 0.988 57 G CA 0.201 44.719 45.100 -0.970 0.000 0.625 57 G HN 0.746 nan 8.290 nan 0.000 0.527 58 D N 0.360 120.670 120.400 -0.150 0.000 2.443 58 D HA 0.365 5.004 4.640 -0.000 0.000 0.239 58 D C 0.860 177.157 176.300 -0.006 0.000 1.136 58 D CA 0.175 54.193 54.000 0.030 0.000 0.879 58 D CB 0.621 41.492 40.800 0.118 0.000 1.195 58 D HN 0.475 nan 8.370 nan 0.000 0.443 59 R N 2.258 122.765 120.500 0.012 0.000 2.265 59 R HA 0.534 4.874 4.340 -0.000 0.000 0.319 59 R C -0.295 176.000 176.300 -0.009 0.000 1.006 59 R CA -0.464 55.636 56.100 -0.000 0.000 0.880 59 R CB 0.261 30.563 30.300 0.004 0.000 1.077 59 R HN 0.560 nan 8.270 nan 0.000 0.454 60 I N 0.578 121.144 120.570 -0.006 0.000 3.074 60 I HA 0.523 4.693 4.170 -0.000 0.000 0.310 60 I C -1.064 175.042 176.117 -0.018 0.000 1.153 60 I CA -1.424 59.868 61.300 -0.013 0.000 0.993 60 I CB 2.190 40.192 38.000 0.003 0.000 1.237 60 I HN 0.442 nan 8.210 nan 0.000 0.443 61 I N 2.952 123.505 120.570 -0.028 0.000 2.336 61 I HA 0.676 4.846 4.170 -0.000 0.000 0.292 61 I C 0.172 176.259 176.117 -0.050 0.000 0.991 61 I CA -0.286 60.988 61.300 -0.043 0.000 1.227 61 I CB 1.694 39.666 38.000 -0.045 0.000 1.366 61 I HN 0.777 nan 8.210 nan 0.000 0.466 62 A N 6.043 128.817 122.820 -0.076 0.000 2.355 62 A HA 0.767 5.087 4.320 -0.000 0.000 0.324 62 A C -0.609 176.883 177.584 -0.152 0.000 1.117 62 A CA -0.594 51.387 52.037 -0.094 0.000 0.785 62 A CB 1.329 20.274 19.000 -0.091 0.000 1.254 62 A HN 0.411 nan 8.150 nan 0.000 0.453 63 V N 3.317 123.136 119.914 -0.157 0.000 2.583 63 V HA 0.187 4.307 4.120 -0.000 0.000 0.287 63 V C 0.004 175.887 176.094 -0.353 0.000 1.051 63 V CA -0.190 61.966 62.300 -0.240 0.000 1.010 63 V CB 0.889 32.582 31.823 -0.217 0.000 0.988 63 V HN 0.617 nan 8.190 nan 0.000 0.478 64 I N 4.621 124.951 120.570 -0.400 0.000 2.392 64 I HA 0.416 4.586 4.170 -0.000 0.000 0.295 64 I C -0.051 175.828 176.117 -0.396 0.000 0.985 64 I CA -0.303 60.761 61.300 -0.392 0.000 1.221 64 I CB 1.225 38.978 38.000 -0.411 0.000 1.366 64 I HN 0.576 nan 8.210 nan 0.000 0.467 65 H N 4.443 123.502 119.070 -0.019 0.000 2.505 65 H HA 0.384 4.940 4.556 -0.000 0.000 0.338 65 H C -0.401 174.965 175.328 0.064 0.000 1.057 65 H CA -0.372 55.692 56.048 0.026 0.000 1.202 65 H CB 1.790 31.574 29.762 0.036 0.000 1.466 65 H HN 0.408 nan 8.280 nan 0.000 0.499 66 S N 2.306 118.109 115.700 0.171 0.000 2.558 66 S HA 0.113 4.583 4.470 -0.000 0.000 0.238 66 S C 1.512 176.167 174.600 0.091 0.000 1.183 66 S CA 0.115 58.389 58.200 0.123 0.000 1.185 66 S CB 0.714 63.971 63.200 0.096 0.000 1.003 66 S HN 0.823 nan 8.310 nan 0.000 0.478 67 E N 2.149 122.404 120.200 0.091 0.000 2.028 67 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 67 E C 1.807 178.424 176.600 0.028 0.000 0.988 67 E CA 1.661 58.091 56.400 0.050 0.000 0.799 67 E CB -0.844 28.870 29.700 0.025 0.000 0.755 67 E HN 0.675 nan 8.360 nan 0.000 0.447 68 K N -0.589 119.824 120.400 0.021 0.000 2.260 68 K HA 0.496 4.816 4.320 -0.000 0.000 0.191 68 K C 2.298 178.899 176.600 0.002 0.000 1.076 68 K CA 2.043 58.331 56.287 0.000 0.000 1.077 68 K CB -1.080 31.409 32.500 -0.019 0.000 1.423 68 K HN 0.771 nan 8.250 nan 0.000 0.462 69 E N 0.110 120.305 120.200 -0.007 0.000 2.535 69 E HA 0.174 4.523 4.350 -0.000 0.000 0.216 69 E C 0.971 177.569 176.600 -0.004 0.000 0.845 69 E CA 0.365 56.763 56.400 -0.005 0.000 1.306 69 E CB 0.050 29.740 29.700 -0.017 0.000 1.291 69 E HN 0.645 nan 8.360 nan 0.000 0.635 70 R N 0.482 120.970 120.500 -0.020 0.000 2.500 70 R HA 0.659 4.999 4.340 -0.000 0.000 0.277 70 R C -0.391 175.937 176.300 0.046 0.000 1.026 70 R CA -0.479 55.606 56.100 -0.025 0.000 1.058 70 R CB 1.198 31.429 30.300 -0.114 0.000 1.078 70 R HN 0.084 nan 8.270 nan 0.000 0.509 71 E N 1.070 121.334 120.200 0.108 0.000 2.175 71 E HA 0.171 4.521 4.350 -0.000 0.000 0.278 71 E C -0.989 175.822 176.600 0.351 0.000 0.969 71 E CA -0.646 55.904 56.400 0.249 0.000 0.796 71 E CB 1.976 31.898 29.700 0.369 0.000 1.104 71 E HN 0.625 nan 8.360 nan 0.000 0.395 72 S N 2.049 117.947 115.700 0.331 0.000 2.472 72 S HA 0.660 5.130 4.470 -0.000 0.000 0.303 72 S C -0.758 173.985 174.600 0.238 0.000 1.099 72 S CA -0.618 57.802 58.200 0.366 0.000 1.077 72 S CB 1.309 64.707 63.200 0.330 0.000 1.031 72 S HN 0.520 nan 8.310 nan 0.000 0.487 73 A N 3.522 126.441 122.820 0.164 0.000 2.276 73 A HA 0.662 4.982 4.320 -0.000 0.000 0.316 73 A C -0.299 177.305 177.584 0.033 0.000 1.229 73 A CA -0.772 51.275 52.037 0.015 0.000 0.851 73 A CB 0.388 19.387 19.000 -0.001 0.000 1.165 73 A HN 0.941 nan 8.150 nan 0.000 0.513 74 E N 2.805 123.018 120.200 0.023 0.000 2.155 74 E HA 0.552 4.901 4.350 -0.000 0.000 0.264 74 E C -2.930 173.669 176.600 -0.001 0.000 0.886 74 E CA -2.069 54.357 56.400 0.043 0.000 0.752 74 E CB 1.315 31.099 29.700 0.140 0.000 1.133 74 E HN 0.268 nan 8.360 nan 0.000 0.414 75 P HA -0.061 nan 4.420 nan 0.000 0.262 75 P C -0.366 176.940 177.300 0.010 0.000 1.199 75 P CA 0.341 63.444 63.100 0.006 0.000 0.763 75 P CB 0.914 32.629 31.700 0.025 0.000 0.790 76 E N 2.668 122.867 120.200 -0.001 0.000 2.354 76 E HA 0.064 4.414 4.350 -0.000 0.000 0.203 76 E C -0.077 176.527 176.600 0.006 0.000 0.841 76 E CA 0.173 56.578 56.400 0.007 0.000 1.046 76 E CB 0.612 30.311 29.700 -0.002 0.000 1.040 76 E HN 0.444 nan 8.360 nan 0.000 0.504 77 E N 0.588 120.783 120.200 -0.009 0.000 2.308 77 E HA 0.286 4.636 4.350 -0.000 0.000 0.275 77 E C -1.794 174.779 176.600 -0.044 0.000 0.890 77 E CA -0.720 55.667 56.400 -0.022 0.000 0.754 77 E CB 1.787 31.475 29.700 -0.020 0.000 1.207 77 E HN 0.037 nan 8.360 nan 0.000 0.426 78 L N 4.959 126.133 121.223 -0.082 0.000 2.292 78 L HA 0.263 4.603 4.340 -0.000 0.000 0.284 78 L C -0.027 176.785 176.870 -0.096 0.000 1.065 78 L CA 0.311 55.067 54.840 -0.140 0.000 0.806 78 L CB 1.486 43.355 42.059 -0.318 0.000 1.175 78 L HN 0.621 nan 8.230 nan 0.000 0.431 79 V N 2.776 122.646 119.914 -0.073 0.000 2.490 79 V HA 0.362 4.482 4.120 -0.000 0.000 0.238 79 V C 0.711 176.776 176.094 -0.047 0.000 1.056 79 V CA 1.212 63.483 62.300 -0.048 0.000 1.075 79 V CB -0.388 31.418 31.823 -0.028 0.000 0.746 79 V HN 0.813 nan 8.190 nan 0.000 0.479 80 E N 1.470 121.645 120.200 -0.042 0.000 2.294 80 E HA 0.584 4.934 4.350 -0.000 0.000 0.272 80 E C -3.061 173.532 176.600 -0.012 0.000 0.896 80 E CA -1.871 54.513 56.400 -0.028 0.000 0.802 80 E CB 1.421 31.116 29.700 -0.007 0.000 1.267 80 E HN 0.275 nan 8.360 nan 0.000 0.406 81 P HA 0.284 nan 4.420 nan 0.000 0.274 81 P C 0.346 177.713 177.300 0.111 0.000 1.237 81 P CA -0.451 62.683 63.100 0.057 0.000 0.793 81 P CB 0.778 32.521 31.700 0.071 0.000 0.977 82 F N 1.639 121.573 119.950 -0.026 0.000 2.206 82 F HA 0.105 4.632 4.527 -0.000 0.000 0.298 82 F C 0.663 176.419 175.800 -0.072 0.000 1.090 82 F CA 1.127 59.075 58.000 -0.086 0.000 1.323 82 F CB 0.143 39.046 39.000 -0.162 0.000 1.028 82 F HN 0.087 nan 8.300 nan 0.000 0.492 83 L N 0.684 121.898 121.223 -0.014 0.000 2.333 83 L HA 0.319 4.659 4.340 -0.000 0.000 0.280 83 L C 0.607 177.511 176.870 0.056 0.000 1.004 83 L CA -0.022 54.763 54.840 -0.091 0.000 0.820 83 L CB 1.759 43.642 42.059 -0.294 0.000 1.247 83 L HN 0.117 nan 8.230 nan 0.000 0.416 84 T N -0.708 113.910 114.554 0.107 0.000 3.426 84 T HA 0.164 4.514 4.350 -0.000 0.000 0.195 84 T C 0.616 175.456 174.700 0.234 0.000 0.963 84 T CA -0.373 61.811 62.100 0.139 0.000 1.154 84 T CB 0.228 69.133 68.868 0.061 0.000 1.377 84 T HN 0.356 nan 8.240 nan 0.000 0.342 85 R N 1.328 121.921 120.500 0.155 0.000 2.265 85 R HA 0.603 4.942 4.340 -0.000 0.000 0.319 85 R C -1.344 175.071 176.300 0.191 0.000 1.006 85 R CA -0.823 55.345 56.100 0.113 0.000 0.880 85 R CB 0.460 30.781 30.300 0.036 0.000 1.077 85 R HN 0.586 nan 8.270 nan 0.000 0.454 86 F N 1.702 121.653 119.950 0.002 0.000 2.662 86 F HA 0.596 5.123 4.527 -0.000 0.000 0.312 86 F C -1.246 174.587 175.800 0.054 0.000 1.113 86 F CA -1.348 56.659 58.000 0.011 0.000 0.951 86 F CB 0.901 39.905 39.000 0.006 0.000 1.344 86 F HN 0.160 nan 8.300 nan 0.000 0.462 87 V N -0.286 119.770 119.914 0.236 0.000 2.667 87 V HA 1.088 5.208 4.120 -0.000 0.000 0.308 87 V C -0.275 176.048 176.094 0.381 0.000 1.048 87 V CA -0.055 62.382 62.300 0.228 0.000 0.928 87 V CB 0.792 32.787 31.823 0.287 0.000 1.004 87 V HN 1.658 nan 8.190 nan 0.000 0.444 88 G N 2.409 111.376 108.800 0.278 0.000 2.506 88 G HA2 0.468 4.428 3.960 -0.000 0.000 0.292 88 G HA3 0.468 4.428 3.960 -0.000 0.000 0.292 88 G C -1.660 173.083 174.900 -0.263 0.000 1.425 88 G CA -1.175 43.967 45.100 0.071 0.000 0.788 88 G HN 0.818 nan 8.290 nan 0.000 0.490 89 K N 0.222 120.291 120.400 -0.553 0.000 2.156 89 K HA 0.609 4.929 4.320 -0.000 0.000 0.271 89 K C -0.367 176.091 176.600 -0.236 0.000 0.995 89 K CA -0.665 55.270 56.287 -0.587 0.000 0.890 89 K CB 2.583 34.617 32.500 -0.778 0.000 1.073 89 K HN 0.210 nan 8.250 nan 0.000 0.454 90 V N 2.844 122.680 119.914 -0.130 0.000 2.785 90 V HA 0.177 4.296 4.120 -0.000 0.000 0.300 90 V C 0.202 176.286 176.094 -0.016 0.000 1.062 90 V CA -0.220 62.050 62.300 -0.051 0.000 1.029 90 V CB 1.246 33.063 31.823 -0.010 0.000 1.024 90 V HN 0.916 nan 8.190 nan 0.000 0.477 91 Q N 2.432 122.228 119.800 -0.007 0.000 2.707 91 Q HA 0.723 5.063 4.340 -0.000 0.000 0.307 91 Q C -0.061 175.947 176.000 0.013 0.000 0.934 91 Q CA -0.338 55.469 55.803 0.006 0.000 0.753 91 Q CB 1.972 30.704 28.738 -0.010 0.000 1.478 91 Q HN 1.382 nan 8.270 nan 0.000 0.458 92 G N 0.448 109.257 108.800 0.015 0.000 2.725 92 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.220 92 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.220 92 G C -1.197 173.717 174.900 0.022 0.000 1.357 92 G CA 0.079 45.188 45.100 0.015 0.000 0.866 92 G HN 0.828 nan 8.290 nan 0.000 0.548 93 K N -0.690 119.721 120.400 0.019 0.000 2.250 93 K HA 0.563 4.883 4.320 -0.000 0.000 0.261 93 K C 1.117 177.727 176.600 0.016 0.000 1.047 93 K CA -0.051 56.248 56.287 0.020 0.000 0.884 93 K CB 0.908 33.417 32.500 0.015 0.000 1.476 93 K HN 0.965 nan 8.250 nan 0.000 0.445 94 N N 0.357 119.065 118.700 0.013 0.000 1.161 94 N HA -0.277 4.463 4.740 -0.000 0.000 0.111 94 N C 0.166 175.683 175.510 0.011 0.000 0.779 94 N CA 2.140 55.195 53.050 0.008 0.000 0.845 94 N CB -1.151 37.339 38.487 0.003 0.000 1.034 94 N HN 0.753 nan 8.380 nan 0.000 0.629 95 D N -0.432 119.971 120.400 0.005 0.000 2.178 95 D HA 0.037 4.677 4.640 -0.000 0.000 0.202 95 D C 1.237 177.539 176.300 0.003 0.000 0.974 95 D CA 2.018 56.020 54.000 0.004 0.000 0.841 95 D CB -0.314 40.483 40.800 -0.005 0.000 0.953 95 D HN 0.649 nan 8.370 nan 0.000 0.478 96 R N 1.098 121.599 120.500 0.002 0.000 2.893 96 R HA 0.449 4.789 4.340 -0.000 0.000 0.243 96 R C -0.184 176.120 176.300 0.006 0.000 1.481 96 R CA 0.032 56.132 56.100 0.001 0.000 1.250 96 R CB -1.504 28.796 30.300 -0.001 0.000 1.213 96 R HN 0.214 nan 8.270 nan 0.000 0.609 97 L N 0.750 121.977 121.223 0.005 0.000 2.334 97 L HA 0.915 5.255 4.340 -0.000 0.000 0.272 97 L C 0.473 177.343 176.870 -0.001 0.000 1.020 97 L CA -1.042 53.800 54.840 0.003 0.000 0.812 97 L CB 2.239 44.296 42.059 -0.003 0.000 1.264 97 L HN 0.670 nan 8.230 nan 0.000 0.439 98 A N 2.626 125.443 122.820 -0.004 0.000 2.587 98 A HA 0.806 5.126 4.320 -0.000 0.000 0.293 98 A C -1.559 176.022 177.584 -0.005 0.000 1.087 98 A CA -0.458 51.585 52.037 0.009 0.000 0.692 98 A CB 1.918 20.927 19.000 0.015 0.000 1.291 98 A HN 0.667 nan 8.150 nan 0.000 0.407 99 I N 1.120 121.703 120.570 0.022 0.000 2.582 99 I HA 0.599 4.769 4.170 -0.000 0.000 0.292 99 I C -1.454 174.696 176.117 0.056 0.000 1.066 99 I CA -0.945 60.370 61.300 0.024 0.000 1.053 99 I CB 1.972 39.991 38.000 0.031 0.000 1.241 99 I HN 0.395 nan 8.210 nan 0.000 0.421 100 V N 8.791 128.711 119.914 0.010 0.000 2.370 100 V HA 0.392 4.512 4.120 -0.000 0.000 0.279 100 V C -2.139 173.988 176.094 0.054 0.000 1.029 100 V CA -1.600 60.700 62.300 -0.000 0.000 0.870 100 V CB 1.110 32.905 31.823 -0.046 0.000 0.984 100 V HN 0.636 nan 8.190 nan 0.000 0.451 101 P HA 0.128 nan 4.420 nan 0.000 0.270 101 P C -0.621 176.762 177.300 0.138 0.000 1.223 101 P CA -0.226 62.955 63.100 0.135 0.000 0.785 101 P CB 0.529 32.151 31.700 -0.130 0.000 0.923 102 D N 0.723 121.263 120.400 0.234 0.000 2.638 102 D HA 0.107 4.747 4.640 -0.000 0.000 0.245 102 D C -0.885 175.538 176.300 0.206 0.000 1.176 102 D CA -0.143 53.992 54.000 0.226 0.000 0.996 102 D CB -0.574 40.472 40.800 0.411 0.000 1.012 102 D HN 0.240 nan 8.370 nan 0.000 0.515 103 H N 1.800 120.914 119.070 0.073 0.000 2.865 103 H HA 0.247 4.803 4.556 -0.000 0.000 0.362 103 H C -2.230 173.098 175.328 -0.001 0.000 1.114 103 H CA -1.730 54.360 56.048 0.070 0.000 1.208 103 H CB 2.421 32.281 29.762 0.163 0.000 1.727 103 H HN 0.047 nan 8.280 nan 0.000 0.534 104 P HA -0.050 nan 4.420 nan 0.000 0.218 104 P C 1.406 178.657 177.300 -0.080 0.000 1.148 104 P CA 0.908 63.893 63.100 -0.191 0.000 0.822 104 P CB 0.398 31.925 31.700 -0.288 0.000 0.784 105 L N -1.911 119.364 121.223 0.087 0.000 2.591 105 L HA 0.108 4.448 4.340 -0.000 0.000 0.228 105 L C 0.488 177.294 176.870 -0.106 0.000 1.133 105 L CA 0.074 54.849 54.840 -0.109 0.000 0.880 105 L CB -0.283 41.497 42.059 -0.465 0.000 1.033 105 L HN -0.062 nan 8.230 nan 0.000 0.450 106 L N -0.553 120.678 121.223 0.014 0.000 2.362 106 L HA 0.422 4.762 4.340 -0.000 0.000 0.275 106 L C 0.490 177.329 176.870 -0.053 0.000 0.998 106 L CA -0.415 54.397 54.840 -0.048 0.000 0.820 106 L CB 1.763 43.801 42.059 -0.035 0.000 1.270 106 L HN -0.133 nan 8.230 nan 0.000 0.415 107 K N -0.211 120.139 120.400 -0.083 0.000 2.598 107 K HA 0.169 4.489 4.320 -0.000 0.000 0.214 107 K C -0.498 176.059 176.600 -0.073 0.000 1.575 107 K CA -0.184 56.061 56.287 -0.071 0.000 1.042 107 K CB 0.874 33.329 32.500 -0.074 0.000 1.338 107 K HN 0.553 nan 8.250 nan 0.000 0.590 108 D N 2.287 122.630 120.400 -0.095 0.000 2.425 108 D HA 0.101 4.740 4.640 -0.000 0.000 0.247 108 D C -0.092 176.162 176.300 -0.077 0.000 1.147 108 D CA 0.298 54.246 54.000 -0.087 0.000 0.879 108 D CB 1.165 41.900 40.800 -0.109 0.000 1.179 108 D HN 0.062 nan 8.370 nan 0.000 0.456 109 A N 3.836 126.630 122.820 -0.043 0.000 2.350 109 A HA 0.300 4.620 4.320 -0.000 0.000 0.293 109 A C 0.469 178.053 177.584 0.001 0.000 1.231 109 A CA -0.473 51.553 52.037 -0.019 0.000 0.883 109 A CB -0.203 18.790 19.000 -0.010 0.000 1.133 109 A HN 0.538 nan 8.150 nan 0.000 0.533 110 I N 4.978 125.558 120.570 0.016 0.000 2.337 110 I HA 0.189 4.359 4.170 -0.000 0.000 0.291 110 I C -2.040 174.144 176.117 0.112 0.000 1.046 110 I CA -1.909 59.432 61.300 0.068 0.000 1.324 110 I CB 1.192 39.235 38.000 0.072 0.000 1.409 110 I HN 0.410 nan 8.210 nan 0.000 0.494 111 P HA -0.004 nan 4.420 nan 0.000 0.265 111 P C -0.708 176.681 177.300 0.149 0.000 1.187 111 P CA -0.151 63.013 63.100 0.106 0.000 0.766 111 P CB 0.432 32.187 31.700 0.092 0.000 0.820 112 C N 1.409 120.759 119.300 0.084 0.000 3.320 112 C HA 0.930 5.390 4.460 -0.000 0.000 0.335 112 C C -1.130 173.873 174.990 0.021 0.000 1.430 112 C CA -0.924 58.146 59.018 0.086 0.000 1.271 112 C CB 2.047 29.813 27.740 0.043 0.000 1.609 112 C HN 0.845 nan 8.230 nan 0.000 0.457 113 R N 1.118 121.630 120.500 0.021 0.000 2.710 113 R HA 0.797 5.137 4.340 -0.000 0.000 0.270 113 R C -0.680 175.626 176.300 0.011 0.000 1.021 113 R CA -0.111 55.993 56.100 0.006 0.000 0.889 113 R CB 1.305 31.616 30.300 0.019 0.000 1.243 113 R HN 1.796 nan 8.270 nan 0.000 0.464 114 A N 1.496 124.346 122.820 0.050 0.000 2.462 114 A HA 0.550 4.870 4.320 -0.000 0.000 0.243 114 A C 0.518 178.163 177.584 0.102 0.000 1.076 114 A CA 0.091 52.197 52.037 0.115 0.000 0.773 114 A CB 0.114 19.290 19.000 0.294 0.000 1.010 114 A HN 0.941 nan 8.150 nan 0.000 0.493 115 A N 2.409 125.290 122.820 0.102 0.000 2.507 115 A HA 0.426 4.746 4.320 -0.000 0.000 0.235 115 A C 0.926 178.560 177.584 0.083 0.000 1.070 115 A CA -0.097 51.990 52.037 0.083 0.000 0.768 115 A CB -0.002 19.042 19.000 0.075 0.000 1.011 115 A HN 1.019 nan 8.150 nan 0.000 0.502 116 R N 1.364 121.902 120.500 0.064 0.000 2.449 116 R HA 0.413 4.753 4.340 -0.000 0.000 0.296 116 R C 0.812 177.142 176.300 0.050 0.000 1.047 116 R CA 0.375 56.506 56.100 0.053 0.000 1.018 116 R CB -0.142 30.182 30.300 0.040 0.000 0.962 116 R HN 1.818 nan 8.270 nan 0.000 0.428 117 G N 2.028 110.856 108.800 0.047 0.000 2.349 117 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.213 117 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.213 117 G C -0.129 174.800 174.900 0.047 0.000 1.044 117 G CA -0.053 45.071 45.100 0.039 0.000 0.633 117 G HN 0.568 nan 8.290 nan 0.000 0.506 118 L N 3.139 124.405 121.223 0.072 0.000 2.638 118 L HA 0.568 4.908 4.340 -0.000 0.000 0.273 118 L C 1.378 178.297 176.870 0.082 0.000 1.147 118 L CA 1.731 56.629 54.840 0.096 0.000 0.941 118 L CB -0.272 41.885 42.059 0.164 0.000 1.251 118 L HN 0.651 nan 8.230 nan 0.000 0.479 119 N N 2.579 121.302 118.700 0.038 0.000 2.336 119 N HA -0.042 4.698 4.740 -0.000 0.000 0.189 119 N C 0.562 176.039 175.510 -0.054 0.000 1.113 119 N CA 0.347 53.396 53.050 -0.001 0.000 0.858 119 N CB -0.529 37.950 38.487 -0.014 0.000 0.970 119 N HN 0.859 nan 8.380 nan 0.000 0.471 120 H N 1.057 119.993 119.070 -0.223 0.000 2.848 120 H HA 0.248 4.803 4.556 -0.000 0.000 0.317 120 H C -0.338 174.753 175.328 -0.395 0.000 1.046 120 H CA 0.168 55.945 56.048 -0.452 0.000 1.470 120 H CB 0.299 29.565 29.762 -0.827 0.000 1.483 120 H HN 0.399 nan 8.280 nan 0.000 0.548 121 E N 5.646 125.429 120.200 -0.694 0.000 1.944 121 E HA 0.039 4.389 4.350 -0.000 0.000 0.272 121 E C -0.412 175.742 176.600 -0.744 0.000 1.195 121 E CA -0.168 55.930 56.400 -0.503 0.000 0.926 121 E CB -0.016 29.485 29.700 -0.331 0.000 1.051 121 E HN 0.472 nan 8.360 nan 0.000 0.404 122 F N 3.518 123.295 119.950 -0.287 0.000 2.608 122 F HA -0.043 4.484 4.527 -0.000 0.000 0.380 122 F C 1.120 176.898 175.800 -0.036 0.000 1.083 122 F CA 0.394 58.372 58.000 -0.037 0.000 1.266 122 F CB 0.378 39.451 39.000 0.122 0.000 1.076 122 F HN 0.245 nan 8.300 nan 0.000 0.574 123 K N 1.185 121.712 120.400 0.212 0.000 2.281 123 K HA 0.715 5.035 4.320 -0.000 0.000 0.242 123 K C -0.335 176.376 176.600 0.184 0.000 0.971 123 K CA -1.013 55.361 56.287 0.145 0.000 0.834 123 K CB 0.766 33.315 32.500 0.082 0.000 1.181 123 K HN 0.497 nan 8.250 nan 0.000 0.435 124 E N 0.405 120.675 120.200 0.117 0.000 2.900 124 E HA 0.134 4.484 4.350 -0.000 0.000 0.259 124 E C 1.164 177.836 176.600 0.119 0.000 0.918 124 E CA 1.044 57.500 56.400 0.093 0.000 0.960 124 E CB -1.367 28.372 29.700 0.066 0.000 0.908 124 E HN 1.057 nan 8.360 nan 0.000 0.511 125 G N 2.535 111.384 108.800 0.081 0.000 2.217 125 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.246 125 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.246 125 G C 0.263 175.230 174.900 0.113 0.000 0.990 125 G CA 0.185 45.326 45.100 0.069 0.000 0.627 125 G HN 0.817 nan 8.290 nan 0.000 0.522 126 D N 0.381 120.930 120.400 0.248 0.000 2.458 126 D HA 0.317 4.957 4.640 -0.000 0.000 0.243 126 D C 0.492 176.941 176.300 0.249 0.000 1.146 126 D CA 0.066 54.328 54.000 0.438 0.000 0.877 126 D CB 0.266 41.510 40.800 0.740 0.000 1.176 126 D HN 0.318 nan 8.370 nan 0.000 0.461 127 W N 1.518 122.952 121.300 0.223 0.000 2.238 127 W HA 0.465 5.125 4.660 -0.000 0.000 0.321 127 W C 0.320 176.941 176.519 0.170 0.000 1.293 127 W CA -0.335 57.090 57.345 0.133 0.000 1.204 127 W CB 0.736 30.216 29.460 0.034 0.000 1.167 127 W HN 0.271 nan 8.180 nan 0.000 0.553 128 A N 2.368 125.382 122.820 0.325 0.000 2.515 128 A HA 0.727 5.047 4.320 -0.000 0.000 0.298 128 A C -1.348 176.284 177.584 0.081 0.000 1.059 128 A CA -0.814 51.352 52.037 0.214 0.000 0.698 128 A CB 1.047 20.032 19.000 -0.025 0.000 1.289 128 A HN 0.318 nan 8.150 nan 0.000 0.404 129 V N 1.281 121.214 119.914 0.033 0.000 2.530 129 V HA 0.602 4.721 4.120 -0.000 0.000 0.282 129 V C 0.714 176.671 176.094 -0.229 0.000 1.048 129 V CA 0.639 62.887 62.300 -0.087 0.000 0.997 129 V CB 0.905 32.708 31.823 -0.033 0.000 0.987 129 V HN 1.331 nan 8.190 nan 0.000 0.477 130 A N 4.272 126.779 122.820 -0.522 0.000 2.485 130 A HA 0.948 5.268 4.320 -0.000 0.000 0.292 130 A C -0.694 176.544 177.584 -0.578 0.000 1.147 130 A CA -0.620 51.033 52.037 -0.641 0.000 0.750 130 A CB 2.159 20.582 19.000 -0.961 0.000 1.331 130 A HN 0.773 nan 8.150 nan 0.000 0.419 134 R N 0.670 120.918 120.500 -0.420 0.000 2.698 134 R HA 0.376 4.716 4.340 -0.000 0.000 0.275 134 R C -1.633 174.594 176.300 -0.123 0.000 1.001 134 R CA -0.506 55.453 56.100 -0.236 0.000 0.896 134 R CB 1.786 31.946 30.300 -0.234 0.000 1.218 134 R HN 0.007 nan 8.270 nan 0.000 0.462 135 H N 4.481 123.417 119.070 -0.224 0.000 2.609 135 H HA 0.290 4.846 4.556 -0.000 0.000 0.344 135 H C -2.148 172.925 175.328 -0.426 0.000 1.040 135 H CA -2.130 53.681 56.048 -0.394 0.000 1.216 135 H CB 2.537 32.206 29.762 -0.155 0.000 1.529 135 H HN 0.379 nan 8.280 nan 0.000 0.519 136 P HA -0.167 nan 4.420 nan 0.000 0.217 136 P C 1.847 179.082 177.300 -0.108 0.000 1.148 136 P CA 0.949 63.805 63.100 -0.407 0.000 0.834 136 P CB 0.422 31.792 31.700 -0.549 0.000 0.783 137 L N -1.144 120.154 121.223 0.126 0.000 2.012 137 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 137 L C 2.494 179.383 176.870 0.032 0.000 1.073 137 L CA 1.583 56.487 54.840 0.106 0.000 0.748 137 L CB -0.852 41.281 42.059 0.123 0.000 0.891 137 L HN -0.044 nan 8.230 nan 0.000 0.431 138 K N 0.690 121.107 120.400 0.028 0.000 1.990 138 K HA -0.207 4.113 4.320 -0.000 0.000 0.225 138 K C 1.523 178.118 176.600 -0.008 0.000 1.053 138 K CA 2.298 58.583 56.287 -0.003 0.000 0.982 138 K CB -0.911 31.587 32.500 -0.005 0.000 0.734 138 K HN 0.301 nan 8.250 nan 0.000 0.448 139 G N -1.824 106.967 108.800 -0.015 0.000 3.274 139 G HA2 0.127 4.087 3.960 -0.000 0.000 0.250 139 G HA3 0.127 4.087 3.960 -0.000 0.000 0.250 139 G C -0.838 174.050 174.900 -0.021 0.000 1.024 139 G CA 0.412 45.504 45.100 -0.014 0.000 0.840 139 G HN 0.434 nan 8.290 nan 0.000 0.522 140 D N -1.313 119.065 120.400 -0.036 0.000 3.091 140 D HA -0.131 4.509 4.640 -0.000 0.000 0.216 140 D C 0.999 177.270 176.300 -0.049 0.000 1.129 140 D CA 1.240 55.215 54.000 -0.043 0.000 0.913 140 D CB -1.469 39.317 40.800 -0.023 0.000 1.101 140 D HN 0.794 nan 8.370 nan 0.000 0.426 141 R N 0.557 121.020 120.500 -0.061 0.000 2.893 141 R HA 0.799 5.139 4.340 -0.000 0.000 0.245 141 R C 0.743 176.987 176.300 -0.092 0.000 1.192 141 R CA 0.133 56.208 56.100 -0.041 0.000 1.077 141 R CB 0.391 30.693 30.300 0.004 0.000 1.253 141 R HN 0.217 nan 8.270 nan 0.000 0.505 142 S N -0.475 115.207 115.700 -0.030 0.000 2.610 142 S HA 0.617 5.087 4.470 -0.000 0.000 0.273 142 S C -0.095 174.496 174.600 -0.015 0.000 1.274 142 S CA -0.587 57.593 58.200 -0.034 0.000 1.023 142 S CB 0.282 63.520 63.200 0.064 0.000 0.962 142 S HN 0.438 nan 8.310 nan 0.000 0.523 143 F N 2.456 122.405 119.950 -0.001 0.000 2.629 143 F HA 0.299 4.826 4.527 -0.000 0.000 0.377 143 F C 0.462 176.347 175.800 0.141 0.000 1.101 143 F CA 0.604 58.596 58.000 -0.014 0.000 1.301 143 F CB -0.064 38.897 39.000 -0.066 0.000 1.062 143 F HN 0.757 nan 8.300 nan 0.000 0.583 144 Y N 0.646 121.072 120.300 0.210 0.000 2.670 144 Y HA 0.850 5.399 4.550 -0.000 0.000 0.334 144 Y C -1.354 174.651 175.900 0.175 0.000 1.185 144 Y CA -1.797 56.400 58.100 0.161 0.000 1.053 144 Y CB 0.920 39.437 38.460 0.094 0.000 1.298 144 Y HN 0.672 nan 8.280 nan 0.000 0.459 145 A N 0.786 123.775 122.820 0.281 0.000 2.532 145 A HA 0.726 5.046 4.320 -0.000 0.000 0.290 145 A C -1.664 176.033 177.584 0.188 0.000 1.143 145 A CA -0.830 51.316 52.037 0.182 0.000 0.728 145 A CB 2.034 21.203 19.000 0.281 0.000 1.317 145 A HN 0.857 nan 8.150 nan 0.000 0.414 146 E N 0.530 120.782 120.200 0.086 0.000 2.199 146 E HA 0.569 4.919 4.350 -0.000 0.000 0.269 146 E C -1.343 175.231 176.600 -0.044 0.000 0.899 146 E CA -0.580 55.854 56.400 0.056 0.000 0.772 146 E CB 1.129 30.877 29.700 0.080 0.000 1.155 146 E HN 0.585 nan 8.360 nan 0.000 0.408 147 L N 4.311 125.482 121.223 -0.088 0.000 2.418 147 L HA 0.156 4.496 4.340 -0.000 0.000 0.274 147 L C 1.253 178.116 176.870 -0.011 0.000 1.135 147 L CA 0.089 54.832 54.840 -0.162 0.000 0.870 147 L CB 0.603 42.408 42.059 -0.424 0.000 1.154 147 L HN 0.791 nan 8.230 nan 0.000 0.462 148 T N -0.681 113.871 114.554 -0.002 0.000 3.001 148 T HA 0.127 4.477 4.350 -0.000 0.000 0.251 148 T C 0.383 175.150 174.700 0.113 0.000 1.040 148 T CA -0.139 61.993 62.100 0.053 0.000 0.985 148 T CB 0.526 69.400 68.868 0.010 0.000 1.011 148 T HN 0.593 nan 8.240 nan 0.000 0.509 149 Q N -0.226 119.679 119.800 0.176 0.000 2.468 149 Q HA 0.342 4.682 4.340 -0.000 0.000 0.263 149 Q C -2.271 173.921 176.000 0.320 0.000 0.979 149 Q CA -0.932 54.987 55.803 0.194 0.000 0.932 149 Q CB 1.828 30.619 28.738 0.089 0.000 1.462 149 Q HN 0.385 nan 8.270 nan 0.000 0.403 150 Y N 4.809 125.174 120.300 0.110 0.000 2.316 150 Y HA 0.337 4.887 4.550 -0.000 0.000 0.331 150 Y C -0.043 175.839 175.900 -0.029 0.000 1.083 150 Y CA 0.200 58.292 58.100 -0.014 0.000 1.206 150 Y CB 0.569 38.672 38.460 -0.596 0.000 1.195 150 Y HN 0.730 nan 8.280 nan 0.000 0.497 151 I N 2.525 122.891 120.570 -0.339 0.000 2.834 151 I HA 0.106 4.276 4.170 -0.000 0.000 0.239 151 I C 0.594 176.246 176.117 -0.775 0.000 1.073 151 I CA 0.642 61.715 61.300 -0.378 0.000 1.459 151 I CB 0.152 38.108 38.000 -0.074 0.000 1.288 151 I HN 0.603 nan 8.210 nan 0.000 0.455 152 T N -0.360 113.752 114.554 -0.736 0.000 2.733 152 T HA 0.336 4.686 4.350 -0.000 0.000 0.312 152 T C -1.286 173.423 174.700 0.015 0.000 1.590 152 T CA -0.797 60.953 62.100 -0.582 0.000 1.005 152 T CB 0.673 69.339 68.868 -0.336 0.000 1.528 152 T HN 0.119 nan 8.240 nan 0.000 0.496 153 F N 0.962 121.047 119.950 0.226 0.000 2.485 153 F HA 0.579 5.106 4.527 -0.000 0.000 0.327 153 F C 1.433 177.439 175.800 0.344 0.000 1.203 153 F CA 0.043 58.256 58.000 0.354 0.000 1.295 153 F CB -0.122 39.057 39.000 0.299 0.000 1.191 153 F HN 0.575 nan 8.300 nan 0.000 0.588 154 G N 0.010 109.074 108.800 0.438 0.000 2.408 154 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 154 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 154 G C 0.890 175.935 174.900 0.241 0.000 1.150 154 G CA 0.637 45.945 45.100 0.347 0.000 0.776 154 G HN 0.715 nan 8.290 nan 0.000 0.542 155 D N 0.674 121.238 120.400 0.274 0.000 2.340 155 D HA 0.036 4.676 4.640 -0.000 0.000 0.220 155 D C 0.322 176.635 176.300 0.022 0.000 1.039 155 D CA -0.058 54.066 54.000 0.206 0.000 0.866 155 D CB 0.076 41.065 40.800 0.315 0.000 0.913 155 D HN 0.153 nan 8.370 nan 0.000 0.523 156 D N 0.272 120.409 120.400 -0.439 0.000 2.531 156 D HA -0.135 4.505 4.640 -0.000 0.000 0.239 156 D C 1.204 177.308 176.300 -0.327 0.000 1.144 156 D CA 0.316 53.899 54.000 -0.695 0.000 0.869 156 D CB 0.699 40.814 40.800 -1.142 0.000 1.160 156 D HN 0.130 nan 8.370 nan 0.000 0.484 157 H N 3.193 122.022 119.070 -0.402 0.000 2.491 157 H HA -0.062 4.494 4.556 -0.000 0.000 0.290 157 H C 1.016 175.979 175.328 -0.608 0.000 1.050 157 H CA 1.462 57.187 56.048 -0.538 0.000 1.309 157 H CB -0.003 29.342 29.762 -0.696 0.000 1.392 157 H HN 0.443 nan 8.280 nan 0.000 0.554 158 F N -1.262 118.623 119.950 -0.107 0.000 2.732 158 F HA 0.075 4.602 4.527 -0.000 0.000 0.303 158 F C 1.941 177.554 175.800 -0.313 0.000 1.110 158 F CA -0.273 57.634 58.000 -0.154 0.000 1.355 158 F CB 0.177 39.013 39.000 -0.275 0.000 1.081 158 F HN -0.011 nan 8.300 nan 0.000 0.565 159 V N 1.808 121.508 119.914 -0.356 0.000 2.242 159 V HA -0.345 3.775 4.120 -0.000 0.000 0.257 159 V C -0.169 175.315 176.094 -1.016 0.000 1.073 159 V CA 2.452 64.338 62.300 -0.690 0.000 1.058 159 V CB -1.501 29.829 31.823 -0.822 0.000 0.664 159 V HN 0.226 nan 8.190 nan 0.000 0.451 160 P HA -0.171 nan 4.420 nan 0.000 0.216 160 P C 1.541 178.229 177.300 -1.021 0.000 1.150 160 P CA 1.839 63.870 63.100 -1.782 0.000 0.843 160 P CB -0.120 30.521 31.700 -1.765 0.000 0.787 161 W N -1.782 119.085 121.300 -0.723 0.000 2.452 161 W HA -0.025 4.635 4.660 -0.000 0.000 0.313 161 W C 2.359 178.617 176.519 -0.435 0.000 1.176 161 W CA 0.913 57.885 57.345 -0.622 0.000 1.350 161 W CB -1.488 27.387 29.460 -0.974 0.000 1.148 161 W HN 0.055 nan 8.180 nan 0.000 0.498 162 W N 0.263 121.523 121.300 -0.067 0.000 2.381 162 W HA -0.156 4.504 4.660 -0.000 0.000 0.301 162 W C 2.247 178.645 176.519 -0.202 0.000 1.205 162 W CA 0.349 57.613 57.345 -0.136 0.000 1.285 162 W CB -1.059 28.282 29.460 -0.198 0.000 1.133 162 W HN -0.403 nan 8.180 nan 0.000 0.521 163 V N 0.525 120.351 119.914 -0.148 0.000 2.343 163 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 163 V C 2.100 178.131 176.094 -0.105 0.000 1.051 163 V CA 2.401 64.547 62.300 -0.257 0.000 1.036 163 V CB -1.370 30.023 31.823 -0.718 0.000 0.654 163 V HN 0.210 nan 8.190 nan 0.000 0.451 164 T N 0.521 115.016 114.554 -0.099 0.000 2.746 164 T HA -0.139 4.210 4.350 -0.000 0.000 0.267 164 T C 1.890 176.664 174.700 0.124 0.000 1.039 164 T CA 1.508 63.627 62.100 0.032 0.000 1.142 164 T CB -0.304 68.587 68.868 0.038 0.000 0.866 164 T HN 0.300 nan 8.240 nan 0.000 0.444 165 L N 0.632 121.938 121.223 0.139 0.000 2.056 165 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 165 L C 3.054 180.013 176.870 0.148 0.000 1.078 165 L CA 1.144 56.100 54.840 0.193 0.000 0.749 165 L CB -0.630 41.592 42.059 0.271 0.000 0.901 165 L HN 0.249 nan 8.230 nan 0.000 0.433 166 A N 0.771 123.655 122.820 0.107 0.000 1.930 166 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 166 A C 2.399 180.003 177.584 0.032 0.000 1.175 166 A CA 1.575 53.650 52.037 0.064 0.000 0.627 166 A CB -0.562 18.464 19.000 0.043 0.000 0.815 166 A HN 0.493 nan 8.150 nan 0.000 0.443 167 R N -1.467 119.023 120.500 -0.017 0.000 2.120 167 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 167 R C 1.137 177.330 176.300 -0.178 0.000 1.123 167 R CA 1.770 57.803 56.100 -0.112 0.000 0.975 167 R CB -0.564 29.626 30.300 -0.183 0.000 0.866 167 R HN 0.573 nan 8.270 nan 0.000 0.446 168 H N 0.452 119.559 119.070 0.062 0.000 2.551 168 H HA 0.129 4.685 4.556 -0.000 0.000 0.271 168 H C -0.102 175.253 175.328 0.045 0.000 0.984 168 H CA 0.118 56.196 56.048 0.051 0.000 1.164 168 H CB -0.080 29.711 29.762 0.048 0.000 1.437 168 H HN 0.410 nan 8.280 nan 0.000 0.550 169 N N 1.059 119.835 118.700 0.127 0.000 2.708 169 N HA -0.172 4.568 4.740 -0.000 0.000 0.255 169 N C -1.092 174.476 175.510 0.098 0.000 1.046 169 N CA -0.137 52.968 53.050 0.091 0.000 0.715 169 N CB -0.908 37.620 38.487 0.069 0.000 0.895 169 N HN 0.225 nan 8.380 nan 0.000 0.545 170 L N 0.923 122.215 121.223 0.116 0.000 2.333 170 L HA 0.493 4.833 4.340 -0.000 0.000 0.269 170 L C 0.221 177.149 176.870 0.096 0.000 1.010 170 L CA -1.071 53.828 54.840 0.099 0.000 0.818 170 L CB 1.490 43.614 42.059 0.109 0.000 1.306 170 L HN 0.111 nan 8.230 nan 0.000 0.430 171 E N 0.832 121.073 120.200 0.067 0.000 2.398 171 E HA 0.078 4.428 4.350 -0.000 0.000 0.263 171 E C 0.130 176.800 176.600 0.116 0.000 1.046 171 E CA 0.027 56.467 56.400 0.066 0.000 0.908 171 E CB 0.646 30.363 29.700 0.028 0.000 0.963 171 E HN 0.349 nan 8.360 nan 0.000 0.431 172 K N 1.385 121.877 120.400 0.153 0.000 2.314 172 K HA 0.021 4.341 4.320 -0.000 0.000 0.198 172 K C -0.014 176.735 176.600 0.248 0.000 1.045 172 K CA 0.655 57.123 56.287 0.301 0.000 0.988 172 K CB 0.229 32.886 32.500 0.262 0.000 0.783 172 K HN 0.603 nan 8.250 nan 0.000 0.484 173 E N -0.297 119.965 120.200 0.102 0.000 2.433 173 E HA 0.535 4.885 4.350 -0.000 0.000 0.278 173 E C -1.348 175.242 176.600 -0.017 0.000 0.976 173 E CA -1.120 55.306 56.400 0.044 0.000 0.793 173 E CB 1.092 30.829 29.700 0.062 0.000 1.311 173 E HN -0.057 nan 8.360 nan 0.000 0.460 174 A N 1.774 124.566 122.820 -0.045 0.000 2.555 174 A HA 0.245 4.565 4.320 -0.000 0.000 0.233 174 A C -1.910 175.652 177.584 -0.035 0.000 1.060 174 A CA -0.579 51.425 52.037 -0.055 0.000 0.759 174 A CB -0.736 18.227 19.000 -0.062 0.000 0.995 174 A HN 0.467 nan 8.150 nan 0.000 0.506 175 P HA 0.290 nan 4.420 nan 0.000 0.280 175 P C -1.092 176.192 177.300 -0.028 0.000 1.244 175 P CA -0.018 63.066 63.100 -0.027 0.000 0.784 175 P CB 1.025 32.709 31.700 -0.026 0.000 0.913 176 D N 1.075 121.462 120.400 -0.022 0.000 2.256 176 D HA 0.648 5.287 4.640 -0.000 0.000 0.246 176 D C 0.456 176.744 176.300 -0.019 0.000 1.042 176 D CA -0.139 53.847 54.000 -0.024 0.000 0.841 176 D CB 1.336 42.124 40.800 -0.021 0.000 1.223 176 D HN 0.569 nan 8.370 nan 0.000 0.470 177 G N 1.130 109.917 108.800 -0.021 0.000 2.530 177 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.081 177 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.081 177 G C -0.926 173.964 174.900 -0.016 0.000 1.062 177 G CA -0.236 44.855 45.100 -0.015 0.000 1.108 177 G HN 0.583 nan 8.290 nan 0.000 0.466 178 V N 1.743 121.653 119.914 -0.006 0.000 2.717 178 V HA 0.262 4.382 4.120 -0.000 0.000 0.302 178 V C 0.948 177.037 176.094 -0.009 0.000 1.097 178 V CA 1.451 63.752 62.300 0.002 0.000 1.262 178 V CB 0.490 32.323 31.823 0.016 0.000 0.846 178 V HN 1.904 nan 8.190 nan 0.000 0.485 179 A N 4.387 127.201 122.820 -0.010 0.000 3.266 179 A HA 0.614 4.934 4.320 -0.000 0.000 0.310 179 A C 0.246 177.832 177.584 0.004 0.000 1.066 179 A CA -0.446 51.570 52.037 -0.035 0.000 0.839 179 A CB 0.481 19.442 19.000 -0.064 0.000 1.192 179 A HN 0.761 nan 8.150 nan 0.000 0.496 180 T N -0.240 114.353 114.554 0.065 0.000 2.891 180 T HA 0.747 5.096 4.350 -0.000 0.000 0.294 180 T C 0.843 175.683 174.700 0.234 0.000 1.065 180 T CA 0.210 62.379 62.100 0.115 0.000 0.936 180 T CB 0.438 69.369 68.868 0.104 0.000 1.415 180 T HN 0.889 nan 8.240 nan 0.000 0.572 184 D N 1.801 122.138 120.400 -0.105 0.000 2.304 184 D HA 0.604 5.244 4.640 -0.000 0.000 0.250 184 D C 0.500 176.759 176.300 -0.068 0.000 1.107 184 D CA 0.608 54.552 54.000 -0.094 0.000 0.885 184 D CB 1.482 42.235 40.800 -0.078 0.000 1.192 184 D HN 0.733 nan 8.370 nan 0.000 0.436 185 E N -0.236 119.925 120.200 -0.064 0.000 2.402 185 E HA 0.541 4.891 4.350 -0.000 0.000 0.261 185 E C 1.692 178.269 176.600 -0.039 0.000 0.823 185 E CA 0.518 56.890 56.400 -0.047 0.000 1.205 185 E CB -0.228 29.445 29.700 -0.045 0.000 1.431 185 E HN 1.203 nan 8.360 nan 0.000 0.518 186 G N -0.013 108.766 108.800 -0.035 0.000 4.658 186 G HA2 0.438 4.398 3.960 -0.000 0.000 0.279 186 G HA3 0.438 4.398 3.960 -0.000 0.000 0.279 186 G C -0.071 174.816 174.900 -0.022 0.000 0.997 186 G CA -0.322 44.762 45.100 -0.027 0.000 0.765 186 G HN 0.289 nan 8.290 nan 0.000 0.442 187 L N 1.024 122.230 121.223 -0.029 0.000 2.513 187 L HA 0.262 4.602 4.340 -0.000 0.000 0.272 187 L C 0.246 177.111 176.870 -0.008 0.000 1.187 187 L CA -0.286 54.543 54.840 -0.020 0.000 0.895 187 L CB 1.073 43.108 42.059 -0.040 0.000 1.147 187 L HN -0.157 nan 8.230 nan 0.000 0.483 188 V N 4.399 124.322 119.914 0.015 0.000 2.258 188 V HA 0.213 4.333 4.120 -0.000 0.000 0.258 188 V C 0.515 176.639 176.094 0.050 0.000 1.121 188 V CA -0.710 61.602 62.300 0.020 0.000 0.942 188 V CB -0.001 31.832 31.823 0.016 0.000 1.170 188 V HN 0.613 nan 8.190 nan 0.000 0.487 189 R N 3.111 123.628 120.500 0.028 0.000 2.446 189 R HA 0.209 4.549 4.340 -0.000 0.000 0.325 189 R C 0.665 177.004 176.300 0.065 0.000 0.997 189 R CA 0.219 56.343 56.100 0.041 0.000 1.010 189 R CB -0.004 30.294 30.300 -0.003 0.000 0.946 189 R HN 0.834 nan 8.270 nan 0.000 0.422 190 E N 2.298 122.586 120.200 0.147 0.000 2.299 190 E HA -0.037 4.313 4.350 -0.000 0.000 0.272 190 E C -0.032 176.616 176.600 0.081 0.000 1.043 190 E CA -0.396 56.078 56.400 0.123 0.000 0.895 190 E CB 0.331 30.149 29.700 0.196 0.000 1.011 190 E HN 0.412 nan 8.360 nan 0.000 0.432 191 D N 3.012 123.431 120.400 0.032 0.000 2.545 191 D HA 0.059 4.699 4.640 -0.000 0.000 0.227 191 D C -0.141 176.165 176.300 0.011 0.000 1.150 191 D CA -0.127 53.880 54.000 0.012 0.000 1.046 191 D CB -0.532 40.269 40.800 0.002 0.000 1.098 191 D HN 0.476 nan 8.370 nan 0.000 0.502 192 L N 2.523 123.755 121.223 0.016 0.000 3.036 192 L HA 0.140 4.480 4.340 -0.000 0.000 0.237 192 L C 1.865 178.735 176.870 0.001 0.000 1.319 192 L CA -0.158 54.693 54.840 0.019 0.000 1.112 192 L CB -0.181 41.923 42.059 0.075 0.000 1.480 192 L HN 0.238 nan 8.230 nan 0.000 0.506 193 T N -4.029 110.522 114.554 -0.005 0.000 3.067 193 T HA 0.001 4.351 4.350 -0.000 0.000 0.261 193 T C 1.695 176.411 174.700 0.028 0.000 1.110 193 T CA 0.724 62.825 62.100 0.003 0.000 1.113 193 T CB 0.224 69.090 68.868 -0.004 0.000 0.917 193 T HN 0.350 nan 8.240 nan 0.000 0.499 194 A N 0.698 123.531 122.820 0.021 0.000 2.235 194 A HA 0.491 4.811 4.320 -0.000 0.000 0.208 194 A C 0.910 178.512 177.584 0.031 0.000 1.172 194 A CA -0.081 51.969 52.037 0.022 0.000 0.786 194 A CB -0.471 18.534 19.000 0.008 0.000 0.804 194 A HN 0.561 nan 8.150 nan 0.000 0.479 195 L N -0.449 120.802 121.223 0.047 0.000 2.387 195 L HA 0.276 4.616 4.340 -0.000 0.000 0.266 195 L C -0.369 176.592 176.870 0.150 0.000 1.059 195 L CA -0.775 54.070 54.840 0.009 0.000 0.801 195 L CB 0.877 42.842 42.059 -0.156 0.000 1.223 195 L HN 0.128 nan 8.230 nan 0.000 0.456 196 D N 2.025 122.547 120.400 0.204 0.000 2.619 196 D HA 0.204 4.844 4.640 -0.000 0.000 0.224 196 D C -0.608 175.860 176.300 0.281 0.000 1.133 196 D CA 0.263 54.424 54.000 0.268 0.000 1.017 196 D CB 0.069 41.025 40.800 0.261 0.000 1.077 196 D HN 0.112 nan 8.370 nan 0.000 0.503 197 F N 0.611 120.678 119.950 0.195 0.000 2.385 197 F HA 0.271 4.798 4.527 -0.000 0.000 0.336 197 F C 0.567 176.431 175.800 0.108 0.000 1.100 197 F CA -0.516 57.586 58.000 0.171 0.000 1.116 197 F CB 1.625 40.681 39.000 0.094 0.000 1.166 197 F HN -0.088 nan 8.300 nan 0.000 0.511 198 V N 2.096 122.177 119.914 0.279 0.000 3.155 198 V HA 0.833 4.953 4.120 -0.000 0.000 0.313 198 V C -1.084 175.101 176.094 0.152 0.000 1.162 198 V CA -0.363 62.036 62.300 0.165 0.000 1.048 198 V CB 2.609 34.488 31.823 0.093 0.000 1.092 198 V HN 0.828 nan 8.190 nan 0.000 0.447 199 T N 1.820 116.418 114.554 0.073 0.000 2.952 199 T HA 0.747 5.097 4.350 -0.000 0.000 0.305 199 T C -1.057 173.622 174.700 -0.035 0.000 1.064 199 T CA -0.345 61.774 62.100 0.032 0.000 1.008 199 T CB 1.284 70.158 68.868 0.010 0.000 1.078 199 T HN 0.598 nan 8.240 nan 0.000 0.459 200 I N 2.536 123.070 120.570 -0.061 0.000 2.478 200 I HA 0.568 4.738 4.170 -0.000 0.000 0.287 200 I C -0.822 175.076 176.117 -0.366 0.000 1.042 200 I CA -0.432 60.773 61.300 -0.158 0.000 1.067 200 I CB 1.703 39.703 38.000 0.000 0.000 1.233 200 I HN 0.719 nan 8.210 nan 0.000 0.431 201 D N 2.794 122.769 120.400 -0.709 0.000 2.768 201 D HA 0.225 4.865 4.640 -0.000 0.000 0.327 201 D C -0.911 174.789 176.300 -1.000 0.000 1.302 201 D CA -0.615 52.859 54.000 -0.877 0.000 0.897 201 D CB 1.932 42.523 40.800 -0.348 0.000 1.420 201 D HN 0.275 nan 8.370 nan 0.000 0.494 202 S N -0.497 114.865 115.700 -0.564 0.000 2.584 202 S HA 0.322 4.792 4.470 -0.000 0.000 0.270 202 S C 1.238 175.722 174.600 -0.193 0.000 1.346 202 S CA 0.332 58.382 58.200 -0.250 0.000 1.018 202 S CB 1.218 64.383 63.200 -0.058 0.000 0.899 202 S HN 0.488 nan 8.310 nan 0.000 0.542 203 A N 3.003 125.750 122.820 -0.121 0.000 1.849 203 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 203 A C 2.392 179.934 177.584 -0.070 0.000 1.202 203 A CA 2.659 54.639 52.037 -0.094 0.000 0.629 203 A CB -1.779 17.186 19.000 -0.059 0.000 0.834 203 A HN 1.201 nan 8.150 nan 0.000 0.447 204 S N -0.560 115.114 115.700 -0.044 0.000 2.399 204 S HA -0.185 4.285 4.470 -0.000 0.000 0.235 204 S C 1.096 175.673 174.600 -0.040 0.000 1.063 204 S CA 1.555 59.738 58.200 -0.029 0.000 1.070 204 S CB -1.887 61.306 63.200 -0.010 0.000 0.904 204 S HN 0.521 nan 8.310 nan 0.000 0.456 205 T N 2.355 116.873 114.554 -0.061 0.000 2.800 205 T HA 0.356 4.706 4.350 -0.000 0.000 0.283 205 T C 1.072 175.740 174.700 -0.054 0.000 0.999 205 T CA 1.009 63.072 62.100 -0.063 0.000 1.176 205 T CB 0.493 69.300 68.868 -0.101 0.000 0.973 205 T HN 0.727 nan 8.240 nan 0.000 0.519 206 E N 0.987 121.164 120.200 -0.038 0.000 2.562 206 E HA 0.382 4.732 4.350 -0.000 0.000 0.214 206 E C 0.420 176.999 176.600 -0.035 0.000 0.979 206 E CA 0.465 56.843 56.400 -0.036 0.000 1.002 206 E CB -0.255 29.427 29.700 -0.030 0.000 1.048 206 E HN 0.906 nan 8.360 nan 0.000 0.488 210 D N 1.044 121.433 120.400 -0.019 0.000 2.645 210 D HA 0.628 5.268 4.640 -0.000 0.000 0.228 210 D C -0.997 175.323 176.300 0.032 0.000 1.148 210 D CA -0.654 53.338 54.000 -0.014 0.000 0.860 210 D CB 2.766 43.537 40.800 -0.047 0.000 1.548 210 D HN 0.266 nan 8.370 nan 0.000 0.460 211 A N 0.954 123.826 122.820 0.086 0.000 2.532 211 A HA 0.804 5.124 4.320 -0.000 0.000 0.290 211 A C -1.346 176.452 177.584 0.357 0.000 1.143 211 A CA -0.816 51.351 52.037 0.216 0.000 0.728 211 A CB 1.635 20.762 19.000 0.212 0.000 1.317 211 A HN 0.557 nan 8.150 nan 0.000 0.414 212 L N -0.089 121.383 121.223 0.415 0.000 2.434 212 L HA 0.733 5.072 4.340 -0.000 0.000 0.260 212 L C -1.361 175.451 176.870 -0.098 0.000 0.983 212 L CA -0.353 54.610 54.840 0.204 0.000 0.820 212 L CB 2.353 44.468 42.059 0.093 0.000 1.361 212 L HN 0.769 nan 8.230 nan 0.000 0.410 213 F N 1.874 121.555 119.950 -0.448 0.000 2.689 213 F HA 0.773 5.300 4.527 -0.000 0.000 0.332 213 F C -0.969 174.663 175.800 -0.281 0.000 1.209 213 F CA -0.389 57.243 58.000 -0.613 0.000 1.028 213 F CB 1.370 39.574 39.000 -1.327 0.000 1.291 213 F HN 0.505 nan 8.300 nan 0.000 0.500 214 A N 4.639 126.918 122.820 -0.901 0.000 2.317 214 A HA 0.918 5.238 4.320 -0.000 0.000 0.327 214 A C -0.795 176.276 177.584 -0.855 0.000 1.178 214 A CA -0.126 51.532 52.037 -0.633 0.000 0.817 214 A CB 0.946 19.746 19.000 -0.333 0.000 1.189 214 A HN 1.094 nan 8.150 nan 0.000 0.489 215 K N 0.491 120.644 120.400 -0.412 0.000 2.281 215 K HA 0.882 5.202 4.320 -0.000 0.000 0.242 215 K C -0.225 176.311 176.600 -0.107 0.000 0.971 215 K CA -0.271 55.889 56.287 -0.213 0.000 0.834 215 K CB 1.735 34.242 32.500 0.012 0.000 1.181 215 K HN 2.138 nan 8.250 nan 0.000 0.435 216 A N 1.525 124.305 122.820 -0.068 0.000 2.290 216 A HA 0.782 5.102 4.320 -0.000 0.000 0.310 216 A C -0.246 177.330 177.584 -0.013 0.000 1.202 216 A CA -0.462 51.553 52.037 -0.037 0.000 0.837 216 A CB -0.008 18.973 19.000 -0.032 0.000 1.139 216 A HN 0.704 nan 8.150 nan 0.000 0.509 217 L N 2.361 123.579 121.223 -0.008 0.000 2.391 217 L HA 0.549 4.888 4.340 -0.000 0.000 0.266 217 L C -1.659 175.211 176.870 -0.000 0.000 1.035 217 L CA -2.261 52.579 54.840 0.000 0.000 0.877 217 L CB 1.188 43.248 42.059 0.002 0.000 1.504 217 L HN 0.531 nan 8.230 nan 0.000 0.503 218 P HA 0.044 nan 4.420 nan 0.000 0.271 218 P C -0.711 176.589 177.300 0.001 0.000 1.244 218 P CA -0.059 63.042 63.100 0.001 0.000 0.793 218 P CB -0.214 31.487 31.700 0.001 0.000 0.984 219 D N -1.166 119.235 120.400 0.002 0.000 5.290 219 D HA 0.252 4.892 4.640 -0.000 0.000 0.213 219 D C 0.626 176.929 176.300 0.004 0.000 1.366 219 D CA 1.466 55.468 54.000 0.003 0.000 0.836 219 D CB -2.002 38.800 40.800 0.004 0.000 1.333 219 D HN 0.816 nan 8.370 nan 0.000 0.758 220 D N 1.037 121.439 120.400 0.003 0.000 5.167 220 D HA 0.190 4.830 4.640 -0.000 0.000 0.237 220 D C 0.166 176.468 176.300 0.003 0.000 1.278 220 D CA 1.142 55.145 54.000 0.005 0.000 1.266 220 D CB -1.708 39.098 40.800 0.009 0.000 0.704 220 D HN 1.208 nan 8.370 nan 0.000 0.350 221 K N -0.462 119.938 120.400 0.000 0.000 2.994 221 K HA 0.415 4.735 4.320 -0.000 0.000 0.344 221 K C -1.430 175.165 176.600 -0.008 0.000 1.242 221 K CA -0.691 55.594 56.287 -0.003 0.000 0.985 221 K CB 0.689 33.188 32.500 -0.003 0.000 1.310 221 K HN 0.699 nan 8.250 nan 0.000 0.413 222 L N 2.119 123.336 121.223 -0.011 0.000 2.354 222 L HA 0.536 4.876 4.340 -0.000 0.000 0.269 222 L C -0.439 176.421 176.870 -0.016 0.000 1.005 222 L CA -0.820 54.007 54.840 -0.021 0.000 0.819 222 L CB 2.064 44.107 42.059 -0.026 0.000 1.311 222 L HN 0.537 nan 8.230 nan 0.000 0.423 223 Q N 2.264 122.053 119.800 -0.018 0.000 2.293 223 Q HA 0.629 4.969 4.340 -0.000 0.000 0.261 223 Q C -1.715 174.287 176.000 0.003 0.000 0.960 223 Q CA -0.767 55.042 55.803 0.011 0.000 0.882 223 Q CB 2.171 30.940 28.738 0.051 0.000 1.275 223 Q HN 0.530 nan 8.270 nan 0.000 0.445 224 L N 5.469 126.711 121.223 0.032 0.000 2.333 224 L HA 0.561 4.900 4.340 -0.000 0.000 0.280 224 L C -1.561 175.377 176.870 0.112 0.000 1.004 224 L CA -0.399 54.467 54.840 0.043 0.000 0.820 224 L CB 1.646 43.720 42.059 0.026 0.000 1.247 224 L HN 0.713 nan 8.230 nan 0.000 0.416 225 I N 6.068 126.745 120.570 0.178 0.000 2.330 225 I HA 0.404 4.573 4.170 -0.000 0.000 0.289 225 I C -0.631 175.654 176.117 0.279 0.000 1.001 225 I CA -0.786 60.671 61.300 0.262 0.000 1.193 225 I CB 1.487 39.731 38.000 0.407 0.000 1.345 225 I HN 0.256 nan 8.210 nan 0.000 0.461 226 V N 5.358 125.401 119.914 0.214 0.000 2.427 226 V HA 0.733 4.853 4.120 -0.000 0.000 0.286 226 V C 0.290 176.498 176.094 0.190 0.000 1.034 226 V CA -0.554 61.865 62.300 0.199 0.000 0.893 226 V CB 1.491 33.372 31.823 0.096 0.000 0.982 226 V HN 0.823 nan 8.190 nan 0.000 0.452 227 A N 6.167 129.081 122.820 0.155 0.000 2.332 227 A HA 0.823 5.143 4.320 -0.000 0.000 0.300 227 A C -0.902 176.689 177.584 0.011 0.000 1.153 227 A CA -0.441 51.612 52.037 0.027 0.000 0.764 227 A CB 0.585 19.475 19.000 -0.184 0.000 1.174 227 A HN 0.566 nan 8.150 nan 0.000 0.467 228 I N 2.007 122.618 120.570 0.069 0.000 2.460 228 I HA 0.528 4.698 4.170 -0.000 0.000 0.298 228 I C 1.120 177.327 176.117 0.151 0.000 0.989 228 I CA -0.682 60.663 61.300 0.076 0.000 1.173 228 I CB 1.090 39.139 38.000 0.081 0.000 1.338 228 I HN 0.776 nan 8.210 nan 0.000 0.456 229 A N 4.038 126.918 122.820 0.101 0.000 2.577 229 A HA 0.012 4.332 4.320 -0.000 0.000 0.233 229 A C 0.213 177.910 177.584 0.189 0.000 1.076 229 A CA 0.366 52.468 52.037 0.110 0.000 0.767 229 A CB -0.105 18.928 19.000 0.054 0.000 1.017 229 A HN 0.750 nan 8.150 nan 0.000 0.511 230 D N 1.062 121.576 120.400 0.191 0.000 2.441 230 D HA 0.379 5.019 4.640 -0.000 0.000 0.287 230 D C -2.128 174.324 176.300 0.255 0.000 1.198 230 D CA -1.526 52.601 54.000 0.211 0.000 0.894 230 D CB 0.945 41.828 40.800 0.138 0.000 1.070 230 D HN 0.128 nan 8.370 nan 0.000 0.499 231 P HA -0.012 nan 4.420 nan 0.000 0.225 231 P C 1.204 178.611 177.300 0.178 0.000 1.156 231 P CA 0.772 63.983 63.100 0.186 0.000 0.787 231 P CB 0.159 31.864 31.700 0.008 0.000 0.802 232 T N -2.803 111.802 114.554 0.085 0.000 3.055 232 T HA 0.150 4.500 4.350 -0.000 0.000 0.265 232 T C 1.885 176.597 174.700 0.021 0.000 1.111 232 T CA 0.787 62.915 62.100 0.046 0.000 1.118 232 T CB -0.754 68.145 68.868 0.052 0.000 0.909 232 T HN -0.015 nan 8.240 nan 0.000 0.501 233 A N 1.250 124.055 122.820 -0.025 0.000 1.873 233 A HA 0.020 4.340 4.320 -0.000 0.000 0.215 233 A C 2.202 179.662 177.584 -0.207 0.000 1.186 233 A CA 0.824 52.734 52.037 -0.212 0.000 0.616 233 A CB -0.930 17.781 19.000 -0.481 0.000 0.823 233 A HN 0.675 nan 8.150 nan 0.000 0.442 234 W N -0.467 120.826 121.300 -0.012 0.000 2.640 234 W HA 0.265 4.925 4.660 -0.000 0.000 0.268 234 W C 0.113 176.624 176.519 -0.013 0.000 1.263 234 W CA -0.019 57.318 57.345 -0.013 0.000 1.344 234 W CB -0.142 29.309 29.460 -0.015 0.000 1.093 234 W HN 0.085 nan 8.180 nan 0.000 0.603 235 I N 1.691 122.388 120.570 0.211 0.000 2.291 235 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 235 I C 0.498 176.653 176.117 0.063 0.000 1.064 235 I CA -0.515 60.856 61.300 0.117 0.000 1.269 235 I CB 0.499 38.551 38.000 0.086 0.000 1.418 235 I HN -0.302 nan 8.210 nan 0.000 0.485 236 A N 6.051 128.903 122.820 0.055 0.000 2.451 236 A HA 0.075 4.395 4.320 -0.000 0.000 0.266 236 A C 0.667 178.270 177.584 0.032 0.000 1.119 236 A CA -0.330 51.725 52.037 0.031 0.000 0.786 236 A CB 0.000 19.016 19.000 0.027 0.000 1.061 236 A HN 0.802 nan 8.150 nan 0.000 0.503 237 E N 2.347 122.560 120.200 0.020 0.000 2.481 237 E HA 0.221 4.571 4.350 -0.000 0.000 0.240 237 E C 1.154 177.773 176.600 0.032 0.000 1.193 237 E CA 0.944 57.360 56.400 0.027 0.000 0.955 237 E CB -0.506 29.200 29.700 0.009 0.000 1.006 237 E HN 1.113 nan 8.360 nan 0.000 0.483 238 G N 3.160 111.986 108.800 0.044 0.000 3.033 238 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.196 238 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.196 238 G C 0.249 175.168 174.900 0.031 0.000 1.078 238 G CA -0.092 45.028 45.100 0.034 0.000 0.805 238 G HN 0.880 nan 8.290 nan 0.000 0.472 239 S N 1.083 116.803 115.700 0.033 0.000 2.549 239 S HA 0.242 4.712 4.470 -0.000 0.000 0.278 239 S C 1.066 175.684 174.600 0.029 0.000 1.344 239 S CA 0.873 59.091 58.200 0.031 0.000 1.025 239 S CB 0.956 64.179 63.200 0.038 0.000 0.851 239 S HN 0.244 nan 8.310 nan 0.000 0.530 240 K N 0.582 120.994 120.400 0.021 0.000 2.555 240 K HA 0.121 4.441 4.320 -0.000 0.000 0.193 240 K C 1.252 177.860 176.600 0.013 0.000 1.032 240 K CA 0.214 56.509 56.287 0.013 0.000 1.004 240 K CB -0.624 31.880 32.500 0.007 0.000 0.804 240 K HN 0.599 nan 8.250 nan 0.000 0.496 241 L N 0.541 121.778 121.223 0.023 0.000 2.249 241 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 241 L C 1.787 178.684 176.870 0.044 0.000 1.090 241 L CA 1.425 56.280 54.840 0.025 0.000 0.802 241 L CB -0.157 41.917 42.059 0.026 0.000 0.947 241 L HN 0.059 nan 8.230 nan 0.000 0.453 242 D N -0.627 119.812 120.400 0.064 0.000 2.144 242 D HA -0.248 4.392 4.640 -0.000 0.000 0.200 242 D C 2.166 178.522 176.300 0.093 0.000 0.978 242 D CA 1.230 55.300 54.000 0.116 0.000 0.833 242 D CB 0.160 41.028 40.800 0.113 0.000 0.961 242 D HN 0.127 nan 8.370 nan 0.000 0.470 243 K N 0.810 121.230 120.400 0.034 0.000 1.977 243 K HA -0.131 4.189 4.320 -0.000 0.000 0.218 243 K C 2.010 178.575 176.600 -0.059 0.000 1.051 243 K CA 2.235 58.513 56.287 -0.016 0.000 0.953 243 K CB -1.075 31.418 32.500 -0.013 0.000 0.727 243 K HN 0.060 nan 8.250 nan 0.000 0.445 244 A N 0.620 123.418 122.820 -0.037 0.000 1.948 244 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 244 A C 2.434 179.971 177.584 -0.078 0.000 1.177 244 A CA 2.525 54.532 52.037 -0.050 0.000 0.636 244 A CB -1.301 17.682 19.000 -0.028 0.000 0.815 244 A HN 0.592 nan 8.150 nan 0.000 0.449 245 A N -0.905 121.887 122.820 -0.046 0.000 1.972 245 A HA 0.080 4.399 4.320 -0.000 0.000 0.219 245 A C 2.282 179.708 177.584 -0.262 0.000 1.169 245 A CA 2.489 54.511 52.037 -0.024 0.000 0.635 245 A CB -0.686 18.409 19.000 0.159 0.000 0.810 245 A HN 0.749 nan 8.150 nan 0.000 0.446 246 K N -0.621 119.460 120.400 -0.531 0.000 2.400 246 K HA 0.307 4.626 4.320 -0.000 0.000 0.194 246 K C 1.474 177.799 176.600 -0.458 0.000 1.033 246 K CA 0.975 56.674 56.287 -0.979 0.000 1.021 246 K CB -0.493 31.419 32.500 -0.980 0.000 0.808 246 K HN 0.380 nan 8.250 nan 0.000 0.505 247 I N 1.340 121.754 120.570 -0.259 0.000 2.406 247 I HA -0.031 4.139 4.170 -0.000 0.000 0.249 247 I C 2.203 178.253 176.117 -0.112 0.000 1.122 247 I CA 1.135 62.347 61.300 -0.148 0.000 1.431 247 I CB -0.566 37.380 38.000 -0.090 0.000 1.087 247 I HN 0.346 nan 8.210 nan 0.000 0.424 248 R N 0.425 120.856 120.500 -0.115 0.000 2.175 248 R HA 0.354 4.694 4.340 -0.000 0.000 0.202 248 R C 1.707 177.975 176.300 -0.052 0.000 1.018 248 R CA 0.870 56.938 56.100 -0.054 0.000 1.029 248 R CB -0.120 30.155 30.300 -0.041 0.000 0.959 248 R HN 0.183 nan 8.270 nan 0.000 0.480 249 A N 0.242 122.944 122.820 -0.196 0.000 3.292 249 A HA -0.273 4.047 4.320 -0.000 0.000 0.241 249 A C 0.159 177.377 177.584 -0.611 0.000 0.569 249 A CA 1.772 53.570 52.037 -0.399 0.000 1.149 249 A CB -1.670 17.083 19.000 -0.411 0.000 1.321 249 A HN 0.302 nan 8.150 nan 0.000 0.679 250 F N -1.179 118.771 119.950 -0.000 0.000 2.613 250 F HA 0.551 5.078 4.527 -0.000 0.000 0.310 250 F C 0.577 176.328 175.800 -0.081 0.000 1.085 250 F CA -0.106 57.890 58.000 -0.006 0.000 0.945 250 F CB 1.532 40.537 39.000 0.009 0.000 1.298 250 F HN -0.038 nan 8.300 nan 0.000 0.455 251 T N 1.463 116.052 114.554 0.058 0.000 2.829 251 T HA -0.021 4.329 4.350 -0.000 0.000 0.293 251 T C -0.001 174.504 174.700 -0.325 0.000 0.970 251 T CA 0.027 61.994 62.100 -0.220 0.000 1.168 251 T CB -0.262 68.351 68.868 -0.424 0.000 0.911 251 T HN 0.394 nan 8.240 nan 0.000 0.535 252 N N 2.960 121.481 118.700 -0.298 0.000 2.405 252 N HA 0.077 4.817 4.740 -0.000 0.000 0.260 252 N C -1.250 174.013 175.510 -0.412 0.000 1.152 252 N CA -0.148 52.751 53.050 -0.252 0.000 0.948 252 N CB -0.045 38.365 38.487 -0.130 0.000 1.111 252 N HN 0.481 nan 8.380 nan 0.000 0.485 253 Y N 3.872 124.153 120.300 -0.032 0.000 2.383 253 Y HA 0.327 4.877 4.550 -0.000 0.000 0.344 253 Y C 0.385 176.290 175.900 0.008 0.000 0.986 253 Y CA -0.573 57.514 58.100 -0.021 0.000 1.175 253 Y CB 0.716 39.175 38.460 -0.001 0.000 1.152 253 Y HN 0.205 nan 8.280 nan 0.000 0.511 254 L N 5.374 126.694 121.223 0.163 0.000 2.322 254 L HA 0.551 4.891 4.340 -0.000 0.000 0.269 254 L C -2.428 174.579 176.870 0.228 0.000 1.012 254 L CA -2.684 52.264 54.840 0.179 0.000 0.815 254 L CB 1.653 43.876 42.059 0.272 0.000 1.295 254 L HN 0.333 nan 8.230 nan 0.000 0.438 255 P HA 0.065 nan 4.420 nan 0.000 0.261 255 P C 0.635 178.142 177.300 0.345 0.000 1.203 255 P CA 0.699 63.889 63.100 0.149 0.000 0.767 255 P CB 0.480 32.028 31.700 -0.254 0.000 0.785 256 G N 2.174 111.131 108.800 0.261 0.000 2.162 256 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 256 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 256 G C -0.200 174.815 174.900 0.192 0.000 0.976 256 G CA -0.232 44.988 45.100 0.200 0.000 0.655 256 G HN 0.539 nan 8.290 nan 0.000 0.533 257 F N 1.310 121.275 119.950 0.024 0.000 2.839 257 F HA 0.513 5.040 4.527 -0.000 0.000 0.344 257 F C -0.628 175.170 175.800 -0.003 0.000 1.242 257 F CA -1.517 56.437 58.000 -0.077 0.000 1.091 257 F CB 0.681 39.538 39.000 -0.239 0.000 1.374 257 F HN 0.322 nan 8.300 nan 0.000 0.553 258 N N 5.292 123.705 118.700 -0.479 0.000 2.404 258 N HA 0.693 5.433 4.740 -0.000 0.000 0.297 258 N C -1.710 173.362 175.510 -0.732 0.000 1.163 258 N CA -0.729 52.012 53.050 -0.515 0.000 0.864 258 N CB 2.033 40.343 38.487 -0.295 0.000 1.247 258 N HN 0.281 nan 8.380 nan 0.000 0.510 259 I N 0.381 120.617 120.570 -0.556 0.000 2.537 259 I HA 0.357 4.527 4.170 -0.000 0.000 0.276 259 I C -2.450 173.495 176.117 -0.288 0.000 1.063 259 I CA -1.678 59.378 61.300 -0.408 0.000 1.144 259 I CB 0.482 38.312 38.000 -0.284 0.000 1.252 259 I HN 0.429 nan 8.210 nan 0.000 0.480 263 P HA 0.102 nan 4.420 nan 0.000 0.265 263 P C 0.416 177.666 177.300 -0.082 0.000 1.193 263 P CA 0.140 63.200 63.100 -0.068 0.000 0.765 263 P CB 0.646 32.303 31.700 -0.071 0.000 0.823 264 R N 2.934 123.388 120.500 -0.076 0.000 2.237 264 R HA -0.133 4.207 4.340 -0.000 0.000 0.219 264 R C 1.572 177.814 176.300 -0.097 0.000 1.080 264 R CA 1.608 57.661 56.100 -0.078 0.000 0.995 264 R CB -1.493 28.769 30.300 -0.063 0.000 0.875 264 R HN 0.535 nan 8.270 nan 0.000 0.462 265 E N 0.727 120.863 120.200 -0.107 0.000 2.150 265 E HA -0.006 4.344 4.350 -0.000 0.000 0.193 265 E C 1.954 178.433 176.600 -0.203 0.000 0.985 265 E CA 1.133 57.453 56.400 -0.133 0.000 0.814 265 E CB -0.042 29.586 29.700 -0.120 0.000 0.752 265 E HN 0.576 nan 8.360 nan 0.000 0.466 266 L N 0.086 121.183 121.223 -0.210 0.000 2.068 266 L HA -0.041 4.299 4.340 -0.000 0.000 0.204 266 L C 2.125 178.853 176.870 -0.236 0.000 1.076 266 L CA 1.165 55.829 54.840 -0.293 0.000 0.753 266 L CB -0.478 41.448 42.059 -0.221 0.000 0.910 266 L HN 0.096 nan 8.230 nan 0.000 0.439 267 S N -0.065 115.546 115.700 -0.149 0.000 2.387 267 S HA -0.125 4.345 4.470 -0.000 0.000 0.226 267 S C 1.800 176.341 174.600 -0.098 0.000 1.026 267 S CA 1.459 59.596 58.200 -0.105 0.000 0.972 267 S CB -0.647 62.510 63.200 -0.073 0.000 0.814 267 S HN 0.648 nan 8.310 nan 0.000 0.477 268 D N 0.518 120.856 120.400 -0.104 0.000 2.338 268 D HA 0.243 4.883 4.640 -0.000 0.000 0.208 268 D C 1.508 177.753 176.300 -0.092 0.000 0.997 268 D CA 1.142 55.093 54.000 -0.082 0.000 0.880 268 D CB -0.793 39.966 40.800 -0.069 0.000 0.980 268 D HN 0.603 nan 8.370 nan 0.000 0.509 269 D N -0.236 120.086 120.400 -0.129 0.000 2.995 269 D HA 0.293 4.933 4.640 -0.000 0.000 0.289 269 D C 2.246 178.442 176.300 -0.174 0.000 1.116 269 D CA 0.492 54.414 54.000 -0.130 0.000 0.994 269 D CB -0.323 40.400 40.800 -0.129 0.000 1.209 269 D HN 0.283 nan 8.370 nan 0.000 0.458 270 L N 0.199 121.232 121.223 -0.317 0.000 2.027 270 L HA -0.054 4.286 4.340 -0.000 0.000 0.206 270 L C 2.636 179.312 176.870 -0.322 0.000 1.074 270 L CA 1.438 55.956 54.840 -0.537 0.000 0.745 270 L CB -0.400 40.906 42.059 -1.256 0.000 0.898 270 L HN 0.442 nan 8.230 nan 0.000 0.433 271 C N -2.061 117.101 119.300 -0.230 0.000 2.513 271 C HA 0.090 4.550 4.460 -0.000 0.000 0.292 271 C C 1.739 176.723 174.990 -0.009 0.000 1.359 271 C CA -0.719 58.280 59.018 -0.031 0.000 1.778 271 C CB -0.011 27.719 27.740 -0.017 0.000 2.180 271 C HN 0.379 nan 8.230 nan 0.000 0.509 272 S N 1.129 116.802 115.700 -0.045 0.000 2.953 272 S HA -0.025 4.445 4.470 -0.000 0.000 0.348 272 S C -0.030 174.561 174.600 -0.016 0.000 1.215 272 S CA 0.293 58.474 58.200 -0.032 0.000 1.019 272 S CB -0.141 63.033 63.200 -0.043 0.000 0.726 272 S HN 0.412 nan 8.310 nan 0.000 0.503 273 L N 4.921 126.136 121.223 -0.014 0.000 2.480 273 L HA 0.259 4.598 4.340 -0.000 0.000 0.243 273 L C 1.220 178.085 176.870 -0.009 0.000 1.315 273 L CA -0.571 54.262 54.840 -0.012 0.000 1.231 273 L CB -0.896 41.154 42.059 -0.015 0.000 1.444 273 L HN 0.702 nan 8.230 nan 0.000 0.409 274 R N 1.834 122.329 120.500 -0.009 0.000 2.543 274 R HA 0.648 4.988 4.340 -0.000 0.000 0.277 274 R C 0.542 176.844 176.300 0.004 0.000 1.074 274 R CA 0.186 56.282 56.100 -0.006 0.000 1.076 274 R CB 0.069 30.364 30.300 -0.009 0.000 0.993 274 R HN 0.575 nan 8.270 nan 0.000 0.459 275 A N 2.466 125.291 122.820 0.008 0.000 2.511 275 A HA 0.354 4.674 4.320 -0.000 0.000 0.242 275 A C 0.446 178.041 177.584 0.018 0.000 1.069 275 A CA 0.388 52.437 52.037 0.020 0.000 0.763 275 A CB -0.066 18.947 19.000 0.022 0.000 1.001 275 A HN 1.252 nan 8.150 nan 0.000 0.498 276 N N -0.170 118.545 118.700 0.025 0.000 2.780 276 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 276 N C -0.577 174.942 175.510 0.015 0.000 1.102 276 N CA 1.531 54.594 53.050 0.022 0.000 0.697 276 N CB -1.008 37.491 38.487 0.020 0.000 1.028 276 N HN 0.843 nan 8.380 nan 0.000 0.554 277 E N -0.066 120.141 120.200 0.012 0.000 2.274 277 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 277 E C -0.864 175.739 176.600 0.005 0.000 0.891 277 E CA -0.614 55.791 56.400 0.009 0.000 0.784 277 E CB 1.755 31.459 29.700 0.007 0.000 1.225 277 E HN 0.066 nan 8.360 nan 0.000 0.412 278 V N 5.355 125.274 119.914 0.008 0.000 2.508 278 V HA 0.410 4.530 4.120 -0.000 0.000 0.281 278 V C 0.169 176.272 176.094 0.015 0.000 1.041 278 V CA -0.156 62.145 62.300 0.002 0.000 1.016 278 V CB 0.541 32.365 31.823 0.003 0.000 0.984 278 V HN 0.492 nan 8.190 nan 0.000 0.478 279 R N 5.393 125.892 120.500 -0.002 0.000 2.686 279 R HA 0.492 4.832 4.340 -0.000 0.000 0.283 279 R C -2.943 173.356 176.300 -0.001 0.000 0.978 279 R CA -2.470 53.644 56.100 0.023 0.000 0.897 279 R CB 2.375 32.681 30.300 0.009 0.000 1.192 279 R HN 0.351 nan 8.270 nan 0.000 0.457 280 P HA 0.133 nan 4.420 nan 0.000 0.291 280 P C -0.077 177.223 177.300 0.001 0.000 1.340 280 P CA -0.370 62.716 63.100 -0.023 0.000 0.799 280 P CB 0.975 32.620 31.700 -0.091 0.000 0.917 281 V N 2.669 122.556 119.914 -0.045 0.000 3.177 281 V HA 0.691 4.811 4.120 -0.000 0.000 0.319 281 V C -0.631 175.434 176.094 -0.048 0.000 1.125 281 V CA -1.252 61.029 62.300 -0.031 0.000 1.029 281 V CB 1.826 33.581 31.823 -0.113 0.000 1.119 281 V HN 0.296 nan 8.190 nan 0.000 0.452 282 L N 1.825 123.054 121.223 0.010 0.000 2.346 282 L HA 0.971 5.311 4.340 -0.000 0.000 0.276 282 L C -0.026 176.805 176.870 -0.066 0.000 1.006 282 L CA -0.089 54.708 54.840 -0.072 0.000 0.817 282 L CB 1.152 43.153 42.059 -0.097 0.000 1.272 282 L HN 1.258 nan 8.230 nan 0.000 0.421 283 A N 3.638 126.234 122.820 -0.375 0.000 2.384 283 A HA 0.822 5.142 4.320 -0.000 0.000 0.312 283 A C -1.373 175.823 177.584 -0.646 0.000 1.113 283 A CA -0.515 51.195 52.037 -0.544 0.000 0.779 283 A CB 1.555 19.818 19.000 -1.229 0.000 1.307 283 A HN 0.863 nan 8.150 nan 0.000 0.436 284 C N 1.372 120.410 119.300 -0.436 0.000 2.481 284 C HA 0.814 5.274 4.460 -0.000 0.000 0.324 284 C C -0.118 174.773 174.990 -0.165 0.000 1.170 284 C CA -0.467 58.135 59.018 -0.694 0.000 1.361 284 C CB 0.628 27.939 27.740 -0.716 0.000 1.977 284 C HN 1.083 nan 8.230 nan 0.000 0.459 288 L N 2.446 123.652 121.223 -0.028 0.000 2.257 288 L HA 0.507 4.847 4.340 -0.000 0.000 0.290 288 L C 1.425 178.282 176.870 -0.022 0.000 1.044 288 L CA -0.572 54.245 54.840 -0.038 0.000 0.810 288 L CB 1.111 43.154 42.059 -0.028 0.000 1.193 288 L HN 0.613 nan 8.230 nan 0.000 0.425 289 S N 2.072 117.757 115.700 -0.026 0.000 2.299 289 S HA -0.060 4.410 4.470 -0.000 0.000 0.237 289 S C 1.350 175.958 174.600 0.012 0.000 1.437 289 S CA 1.215 59.412 58.200 -0.005 0.000 2.272 289 S CB 0.087 63.286 63.200 -0.002 0.000 0.360 289 S HN 0.826 nan 8.310 nan 0.000 0.351 290 A N 0.758 123.596 122.820 0.029 0.000 1.993 290 A HA 0.150 4.470 4.320 -0.000 0.000 0.202 290 A C 1.496 179.117 177.584 0.063 0.000 1.461 290 A CA 0.910 52.970 52.037 0.039 0.000 0.824 290 A CB -0.942 18.080 19.000 0.037 0.000 1.024 290 A HN 0.656 nan 8.150 nan 0.000 0.507 291 D N -0.828 119.626 120.400 0.091 0.000 2.265 291 D HA 0.196 4.836 4.640 -0.000 0.000 0.208 291 D C 1.313 177.717 176.300 0.173 0.000 0.977 291 D CA 1.537 55.626 54.000 0.148 0.000 0.871 291 D CB -0.401 40.522 40.800 0.205 0.000 0.925 291 D HN 1.019 nan 8.370 nan 0.000 0.485 292 G N -1.271 107.590 108.800 0.103 0.000 2.184 292 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.206 292 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.206 292 G C 0.370 175.226 174.900 -0.072 0.000 0.995 292 G CA 0.008 45.148 45.100 0.066 0.000 0.651 292 G HN 0.411 nan 8.290 nan 0.000 0.511 293 T N 1.844 116.318 114.554 -0.134 0.000 2.891 293 T HA 0.266 4.616 4.350 -0.000 0.000 0.296 293 T C 1.092 175.583 174.700 -0.348 0.000 1.025 293 T CA 0.648 62.487 62.100 -0.435 0.000 1.149 293 T CB 0.420 69.171 68.868 -0.194 0.000 1.007 293 T HN 0.416 nan 8.240 nan 0.000 0.528 294 I N 3.924 124.206 120.570 -0.480 0.000 2.421 294 I HA 0.141 4.311 4.170 -0.000 0.000 0.291 294 I C 1.107 177.106 176.117 -0.196 0.000 1.089 294 I CA -0.455 60.686 61.300 -0.265 0.000 1.354 294 I CB 0.248 38.111 38.000 -0.228 0.000 1.413 294 I HN 0.482 nan 8.210 nan 0.000 0.513 295 E N 4.247 124.377 120.200 -0.116 0.000 2.376 295 E HA 0.043 4.392 4.350 -0.000 0.000 0.254 295 E C 0.220 176.790 176.600 -0.050 0.000 1.213 295 E CA -0.229 56.125 56.400 -0.077 0.000 0.945 295 E CB 0.632 30.302 29.700 -0.050 0.000 1.057 295 E HN 0.465 nan 8.360 nan 0.000 0.479 296 D N 0.333 120.713 120.400 -0.032 0.000 2.392 296 D HA -0.058 4.582 4.640 -0.000 0.000 0.228 296 D C -0.377 175.918 176.300 -0.008 0.000 1.003 296 D CA 0.477 54.467 54.000 -0.016 0.000 0.917 296 D CB -0.170 40.623 40.800 -0.012 0.000 0.890 296 D HN 0.130 nan 8.370 nan 0.000 0.532 297 N N 1.141 119.833 118.700 -0.013 0.000 2.508 297 N HA 0.177 4.917 4.740 -0.000 0.000 0.253 297 N C -0.291 175.219 175.510 0.000 0.000 1.145 297 N CA 0.199 53.245 53.050 -0.007 0.000 0.973 297 N CB 0.744 39.224 38.487 -0.012 0.000 1.305 297 N HN 0.179 nan 8.380 nan 0.000 0.506 298 I N 0.533 121.115 120.570 0.020 0.000 2.610 298 I HA 0.359 4.529 4.170 -0.000 0.000 0.289 298 I C -0.229 175.939 176.117 0.085 0.000 1.163 298 I CA -0.485 60.843 61.300 0.046 0.000 1.044 298 I CB 2.145 40.200 38.000 0.091 0.000 1.251 298 I HN 0.291 nan 8.210 nan 0.000 0.424 299 E N 5.468 125.709 120.200 0.069 0.000 2.321 299 E HA 0.745 5.095 4.350 -0.000 0.000 0.278 299 E C -2.072 174.612 176.600 0.140 0.000 0.902 299 E CA -0.495 55.993 56.400 0.147 0.000 0.758 299 E CB 2.140 31.883 29.700 0.072 0.000 1.213 299 E HN 0.357 nan 8.360 nan 0.000 0.426 300 F N 0.619 120.627 119.950 0.096 0.000 2.507 300 F HA 0.907 5.434 4.527 -0.000 0.000 0.327 300 F C -0.038 175.890 175.800 0.213 0.000 1.068 300 F CA -1.108 56.905 58.000 0.021 0.000 0.965 300 F CB 1.881 40.734 39.000 -0.245 0.000 1.192 300 F HN 0.697 nan 8.300 nan 0.000 0.476 301 F N -0.246 119.722 119.950 0.030 0.000 2.680 301 F HA 0.710 5.237 4.527 -0.000 0.000 0.315 301 F C -1.047 174.742 175.800 -0.018 0.000 1.099 301 F CA -1.746 56.251 58.000 -0.006 0.000 1.033 301 F CB 0.045 39.032 39.000 -0.021 0.000 1.285 301 F HN 0.668 nan 8.300 nan 0.000 0.457 302 A N 2.013 124.839 122.820 0.010 0.000 2.445 302 A HA 0.802 5.122 4.320 -0.000 0.000 0.242 302 A C 0.015 177.600 177.584 0.001 0.000 1.075 302 A CA 0.487 52.489 52.037 -0.060 0.000 0.777 302 A CB 0.028 19.014 19.000 -0.023 0.000 1.013 302 A HN 2.201 nan 8.150 nan 0.000 0.493 303 A N 0.870 123.645 122.820 -0.075 0.000 2.599 303 A HA 0.814 5.134 4.320 -0.000 0.000 0.290 303 A C -0.213 177.334 177.584 -0.062 0.000 1.101 303 A CA 0.064 52.093 52.037 -0.015 0.000 0.674 303 A CB 0.737 19.735 19.000 -0.004 0.000 1.277 303 A HN 1.875 nan 8.150 nan 0.000 0.419 304 T N -0.741 113.788 114.554 -0.043 0.000 2.885 304 T HA 0.836 5.186 4.350 -0.000 0.000 0.285 304 T C -0.405 174.231 174.700 -0.106 0.000 1.019 304 T CA -0.538 61.522 62.100 -0.067 0.000 1.010 304 T CB 0.953 69.799 68.868 -0.038 0.000 1.022 304 T HN 0.729 nan 8.240 nan 0.000 0.466 305 I N -0.023 120.462 120.570 -0.142 0.000 2.827 305 I HA 0.650 4.820 4.170 -0.000 0.000 0.298 305 I C -0.343 175.699 176.117 -0.126 0.000 1.235 305 I CA -1.120 60.048 61.300 -0.221 0.000 1.021 305 I CB 2.080 39.757 38.000 -0.538 0.000 1.259 305 I HN 0.944 nan 8.210 nan 0.000 0.427 306 E N 2.839 122.997 120.200 -0.070 0.000 2.207 306 E HA 0.458 4.808 4.350 -0.000 0.000 0.250 306 E C -0.426 176.202 176.600 0.046 0.000 0.890 306 E CA -0.617 55.779 56.400 -0.006 0.000 0.749 306 E CB 1.766 31.476 29.700 0.016 0.000 1.193 306 E HN 0.563 nan 8.360 nan 0.000 0.423 307 S N 1.669 117.394 115.700 0.041 0.000 2.537 307 S HA 0.122 4.592 4.470 -0.000 0.000 0.286 307 S C 0.750 175.407 174.600 0.095 0.000 1.299 307 S CA -0.220 58.042 58.200 0.104 0.000 1.067 307 S CB 0.395 63.640 63.200 0.075 0.000 0.864 307 S HN 0.480 nan 8.310 nan 0.000 0.494 308 K N 2.492 122.967 120.400 0.124 0.000 2.367 308 K HA 0.346 4.666 4.320 -0.000 0.000 0.194 308 K C 0.109 176.753 176.600 0.073 0.000 1.027 308 K CA 0.296 56.638 56.287 0.091 0.000 1.075 308 K CB 0.455 33.016 32.500 0.100 0.000 0.845 308 K HN 0.624 nan 8.250 nan 0.000 0.529 309 A N 1.037 123.903 122.820 0.077 0.000 2.547 309 A HA 0.413 4.733 4.320 -0.000 0.000 0.298 309 A C -1.372 176.240 177.584 0.046 0.000 1.062 309 A CA -0.764 51.311 52.037 0.064 0.000 0.748 309 A CB 1.017 20.061 19.000 0.074 0.000 1.288 309 A HN 0.032 nan 8.150 nan 0.000 0.396 310 K N 2.873 123.287 120.400 0.023 0.000 2.423 310 K HA 0.498 4.817 4.320 -0.000 0.000 0.234 310 K C -0.649 175.915 176.600 -0.060 0.000 1.051 310 K CA -0.123 56.153 56.287 -0.020 0.000 1.021 310 K CB 0.514 32.999 32.500 -0.026 0.000 1.474 310 K HN 0.654 nan 8.250 nan 0.000 0.474 311 L N 1.186 122.355 121.223 -0.090 0.000 2.454 311 L HA 0.524 4.864 4.340 -0.000 0.000 0.256 311 L C 0.061 176.761 176.870 -0.283 0.000 1.136 311 L CA -1.217 53.503 54.840 -0.199 0.000 0.804 311 L CB 0.828 42.788 42.059 -0.164 0.000 1.181 311 L HN 0.053 nan 8.230 nan 0.000 0.469 312 V N -0.758 118.923 119.914 -0.388 0.000 2.638 312 V HA 0.206 4.326 4.120 -0.000 0.000 0.306 312 V C 0.342 176.294 176.094 -0.237 0.000 1.052 312 V CA -0.658 61.429 62.300 -0.355 0.000 0.885 312 V CB 1.400 33.028 31.823 -0.324 0.000 0.999 312 V HN 0.624 nan 8.190 nan 0.000 0.424 313 Y N 0.874 121.088 120.300 -0.142 0.000 1.977 313 Y HA -0.338 4.212 4.550 -0.000 0.000 0.264 313 Y C 2.349 178.192 175.900 -0.095 0.000 1.167 313 Y CA 1.991 60.033 58.100 -0.098 0.000 1.102 313 Y CB -0.030 38.391 38.460 -0.066 0.000 0.948 313 Y HN 0.670 nan 8.280 nan 0.000 0.489 314 D N -0.249 120.208 120.400 0.095 0.000 2.149 314 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 314 D C 2.031 178.330 176.300 -0.002 0.000 0.990 314 D CA 1.543 55.564 54.000 0.036 0.000 0.839 314 D CB -0.350 40.464 40.800 0.022 0.000 0.948 314 D HN 0.575 nan 8.370 nan 0.000 0.460 315 Q N 0.211 119.936 119.800 -0.125 0.000 2.046 315 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 315 Q C 2.509 178.425 176.000 -0.140 0.000 0.975 315 Q CA 0.751 56.414 55.803 -0.234 0.000 0.836 315 Q CB -0.041 28.244 28.738 -0.755 0.000 0.896 315 Q HN 0.132 nan 8.270 nan 0.000 0.428 316 V N 0.971 120.758 119.914 -0.212 0.000 2.343 316 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 316 V C 2.237 178.471 176.094 0.233 0.000 1.051 316 V CA 1.967 64.309 62.300 0.070 0.000 1.036 316 V CB -0.567 31.281 31.823 0.042 0.000 0.654 316 V HN 0.327 nan 8.190 nan 0.000 0.451 317 S N -0.098 115.683 115.700 0.135 0.000 2.359 317 S HA -0.286 4.184 4.470 -0.000 0.000 0.222 317 S C 1.773 176.459 174.600 0.143 0.000 1.038 317 S CA 1.876 60.144 58.200 0.113 0.000 1.051 317 S CB -0.571 62.666 63.200 0.061 0.000 0.944 317 S HN 0.615 nan 8.310 nan 0.000 0.433 318 D N 0.021 120.516 120.400 0.158 0.000 2.103 318 D HA -0.154 4.486 4.640 -0.000 0.000 0.190 318 D C 1.524 177.974 176.300 0.250 0.000 0.997 318 D CA 1.225 55.332 54.000 0.178 0.000 0.833 318 D CB -0.433 40.475 40.800 0.181 0.000 0.961 318 D HN 0.594 nan 8.370 nan 0.000 0.447 319 W N 1.537 122.961 121.300 0.207 0.000 2.342 319 W HA -0.138 4.522 4.660 -0.000 0.000 0.297 319 W C 2.188 178.788 176.519 0.136 0.000 1.213 319 W CA 1.137 58.614 57.345 0.221 0.000 1.251 319 W CB -0.482 29.224 29.460 0.411 0.000 1.136 319 W HN -0.056 nan 8.180 nan 0.000 0.526 320 L N 0.038 121.337 121.223 0.126 0.000 2.027 320 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 320 L C 2.695 179.460 176.870 -0.175 0.000 1.074 320 L CA 1.980 56.734 54.840 -0.144 0.000 0.745 320 L CB -0.799 41.310 42.059 0.083 0.000 0.898 320 L HN 0.116 nan 8.230 nan 0.000 0.433 321 E N 0.640 120.804 120.200 -0.059 0.000 2.011 321 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 321 E C 0.503 177.059 176.600 -0.074 0.000 0.979 321 E CA 1.208 57.574 56.400 -0.057 0.000 0.822 321 E CB 0.245 29.938 29.700 -0.012 0.000 0.782 321 E HN 0.407 nan 8.360 nan 0.000 0.459 322 N N 0.093 118.776 118.700 -0.029 0.000 3.063 322 N HA 0.168 4.908 4.740 -0.000 0.000 0.242 322 N C -0.955 174.578 175.510 0.040 0.000 1.146 322 N CA 0.201 53.238 53.050 -0.021 0.000 0.974 322 N CB 1.200 39.671 38.487 -0.027 0.000 1.584 322 N HN 0.175 nan 8.380 nan 0.000 0.636 323 T N -0.958 113.646 114.554 0.083 0.000 2.870 323 T HA 0.863 5.213 4.350 -0.000 0.000 0.277 323 T C 1.038 175.804 174.700 0.110 0.000 1.000 323 T CA 0.553 62.732 62.100 0.132 0.000 0.982 323 T CB 1.388 70.403 68.868 0.244 0.000 1.249 323 T HN 1.378 nan 8.240 nan 0.000 0.589 324 G N -0.011 108.860 108.800 0.117 0.000 4.596 324 G HA2 0.222 4.182 3.960 -0.000 0.000 0.276 324 G HA3 0.222 4.182 3.960 -0.000 0.000 0.276 324 G C 0.338 175.301 174.900 0.106 0.000 1.013 324 G CA -0.051 45.106 45.100 0.095 0.000 0.778 324 G HN 0.599 nan 8.290 nan 0.000 0.389 325 D N -0.672 119.818 120.400 0.151 0.000 2.929 325 D HA 0.132 4.772 4.640 -0.000 0.000 0.291 325 D C -0.084 176.346 176.300 0.217 0.000 1.086 325 D CA 0.005 54.101 54.000 0.160 0.000 0.971 325 D CB 0.730 41.624 40.800 0.157 0.000 1.275 325 D HN 0.247 nan 8.370 nan 0.000 0.469 326 W N 1.969 123.314 121.300 0.074 0.000 2.627 326 W HA 0.522 5.182 4.660 -0.000 0.000 0.339 326 W C -0.822 175.743 176.519 0.077 0.000 1.058 326 W CA -0.323 57.054 57.345 0.053 0.000 1.223 326 W CB 1.243 30.724 29.460 0.036 0.000 1.389 326 W HN -0.296 nan 8.180 nan 0.000 0.541 327 Q N 4.504 123.657 119.800 -1.079 0.000 2.391 327 Q HA 0.307 4.647 4.340 -0.000 0.000 0.279 327 Q C -2.522 172.265 176.000 -2.023 0.000 1.028 327 Q CA -2.128 52.914 55.803 -1.268 0.000 0.836 327 Q CB 2.655 31.114 28.738 -0.465 0.000 1.414 327 Q HN 0.154 nan 8.270 nan 0.000 0.397 328 P HA -0.077 nan 4.420 nan 0.000 0.262 328 P C 0.074 177.003 177.300 -0.619 0.000 1.182 328 P CA 0.475 62.931 63.100 -1.074 0.000 0.761 328 P CB 0.683 31.897 31.700 -0.810 0.000 0.795 329 E N 2.810 122.780 120.200 -0.383 0.000 2.130 329 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 329 E C 0.001 176.501 176.600 -0.167 0.000 0.998 329 E CA 1.434 57.701 56.400 -0.222 0.000 0.806 329 E CB 0.012 29.651 29.700 -0.102 0.000 0.738 329 E HN 0.505 nan 8.360 nan 0.000 0.459 330 S N -1.400 114.211 115.700 -0.150 0.000 2.540 330 S HA 0.355 4.825 4.470 -0.000 0.000 0.275 330 S C 0.368 174.912 174.600 -0.094 0.000 1.123 330 S CA -0.584 57.558 58.200 -0.096 0.000 0.907 330 S CB 1.564 64.733 63.200 -0.051 0.000 1.081 330 S HN 0.009 nan 8.310 nan 0.000 0.476 331 E N 2.126 122.289 120.200 -0.061 0.000 2.219 331 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 331 E C 1.933 178.521 176.600 -0.021 0.000 0.998 331 E CA 1.892 58.272 56.400 -0.034 0.000 0.818 331 E CB -0.572 29.123 29.700 -0.009 0.000 0.741 331 E HN 0.816 nan 8.360 nan 0.000 0.477 332 A N 0.255 123.065 122.820 -0.016 0.000 1.908 332 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 332 A C 2.208 179.787 177.584 -0.007 0.000 1.181 332 A CA 1.635 53.673 52.037 0.003 0.000 0.627 332 A CB -0.609 18.403 19.000 0.020 0.000 0.818 332 A HN 0.364 nan 8.150 nan 0.000 0.445 333 I N -0.456 120.094 120.570 -0.034 0.000 2.162 333 I HA -0.196 3.974 4.170 -0.000 0.000 0.238 333 I C 2.974 179.043 176.117 -0.080 0.000 1.076 333 I CA 0.932 62.204 61.300 -0.047 0.000 1.353 333 I CB -0.785 37.178 38.000 -0.061 0.000 1.063 333 I HN 0.312 nan 8.210 nan 0.000 0.408 334 A N 1.126 123.857 122.820 -0.148 0.000 1.954 334 A HA -0.361 3.959 4.320 -0.000 0.000 0.222 334 A C 2.362 180.013 177.584 0.111 0.000 1.199 334 A CA 3.063 55.036 52.037 -0.105 0.000 0.657 334 A CB -1.276 17.721 19.000 -0.005 0.000 0.823 334 A HN 0.559 nan 8.150 nan 0.000 0.463 335 E N -1.579 118.652 120.200 0.052 0.000 2.230 335 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 335 E C 2.018 178.617 176.600 -0.002 0.000 0.987 335 E CA 1.117 57.544 56.400 0.044 0.000 0.841 335 E CB -0.485 29.221 29.700 0.011 0.000 0.783 335 E HN 0.638 nan 8.360 nan 0.000 0.481 336 Q N 0.142 119.924 119.800 -0.029 0.000 1.990 336 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 336 Q C 2.573 178.551 176.000 -0.037 0.000 0.980 336 Q CA 1.694 57.444 55.803 -0.088 0.000 0.832 336 Q CB -0.581 28.111 28.738 -0.076 0.000 0.897 336 Q HN 0.500 nan 8.270 nan 0.000 0.427 337 V N 1.140 121.079 119.914 0.041 0.000 2.231 337 V HA -0.340 3.780 4.120 -0.000 0.000 0.250 337 V C 2.497 178.671 176.094 0.133 0.000 1.058 337 V CA 2.354 64.724 62.300 0.117 0.000 1.022 337 V CB -0.738 31.222 31.823 0.229 0.000 0.640 337 V HN 0.281 nan 8.190 nan 0.000 0.445 338 R N 0.175 120.782 120.500 0.179 0.000 2.113 338 R HA -0.180 4.160 4.340 -0.000 0.000 0.244 338 R C 2.143 178.468 176.300 0.042 0.000 1.142 338 R CA 1.940 58.116 56.100 0.126 0.000 0.953 338 R CB -0.746 29.637 30.300 0.138 0.000 0.860 338 R HN 0.530 nan 8.270 nan 0.000 0.438 339 L N -0.148 121.074 121.223 -0.002 0.000 2.131 339 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 339 L C 2.150 178.991 176.870 -0.047 0.000 1.092 339 L CA 1.002 55.812 54.840 -0.050 0.000 0.759 339 L CB -0.261 41.724 42.059 -0.124 0.000 0.903 339 L HN 0.269 nan 8.230 nan 0.000 0.435 340 L N -1.008 120.196 121.223 -0.032 0.000 2.313 340 L HA -0.047 4.293 4.340 -0.000 0.000 0.214 340 L C 2.644 179.522 176.870 0.013 0.000 1.119 340 L CA 0.628 55.458 54.840 -0.016 0.000 0.809 340 L CB -0.448 41.607 42.059 -0.006 0.000 0.933 340 L HN 0.174 nan 8.230 nan 0.000 0.449 341 A N -0.464 122.372 122.820 0.027 0.000 1.970 341 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 341 A C 2.189 179.782 177.584 0.015 0.000 1.170 341 A CA 0.744 52.798 52.037 0.030 0.000 0.645 341 A CB -0.201 18.824 19.000 0.043 0.000 0.816 341 A HN 0.427 nan 8.150 nan 0.000 0.447 342 Q N -0.448 119.356 119.800 0.007 0.000 2.170 342 Q HA -0.044 4.296 4.340 -0.000 0.000 0.203 342 Q C 1.798 177.801 176.000 0.005 0.000 0.976 342 Q CA 1.291 57.095 55.803 0.002 0.000 0.858 342 Q CB -0.272 28.462 28.738 -0.006 0.000 0.907 342 Q HN 0.706 nan 8.270 nan 0.000 0.433 343 I N -0.097 120.475 120.570 0.003 0.000 2.353 343 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 343 I C 2.557 178.690 176.117 0.025 0.000 1.119 343 I CA 0.393 61.699 61.300 0.009 0.000 1.417 343 I CB -0.175 37.823 38.000 -0.003 0.000 1.078 343 I HN 0.378 nan 8.210 nan 0.000 0.421 344 C N 0.825 120.140 119.300 0.025 0.000 2.436 344 C HA -0.195 4.265 4.460 -0.000 0.000 0.277 344 C C 2.833 177.841 174.990 0.030 0.000 1.241 344 C CA 1.237 60.273 59.018 0.030 0.000 1.721 344 C CB -0.936 26.819 27.740 0.025 0.000 2.043 344 C HN 0.478 nan 8.230 nan 0.000 0.472 345 Q N -0.363 119.449 119.800 0.020 0.000 2.152 345 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 345 Q C 2.520 178.540 176.000 0.032 0.000 0.985 345 Q CA 1.638 57.450 55.803 0.015 0.000 0.863 345 Q CB -0.111 28.630 28.738 0.005 0.000 0.904 345 Q HN 0.608 nan 8.270 nan 0.000 0.422 346 R N -0.067 120.459 120.500 0.043 0.000 2.062 346 R HA 0.057 4.396 4.340 -0.000 0.000 0.226 346 R C 1.998 178.364 176.300 0.109 0.000 1.125 346 R CA 0.742 56.882 56.100 0.066 0.000 0.966 346 R CB -0.194 30.137 30.300 0.051 0.000 0.861 346 R HN 0.142 nan 8.270 nan 0.000 0.433 347 R N 0.226 120.789 120.500 0.105 0.000 2.235 347 R HA 0.019 4.359 4.340 -0.000 0.000 0.213 347 R C 2.061 178.474 176.300 0.188 0.000 1.059 347 R CA 0.871 57.064 56.100 0.155 0.000 0.997 347 R CB -0.646 29.724 30.300 0.117 0.000 0.884 347 R HN 0.324 nan 8.270 nan 0.000 0.462 348 G N 1.319 110.196 108.800 0.129 0.000 2.432 348 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 348 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 348 G C 1.190 176.175 174.900 0.141 0.000 1.135 348 G CA 0.357 45.524 45.100 0.112 0.000 0.767 348 G HN 0.233 nan 8.290 nan 0.000 0.550 349 E N 0.072 120.362 120.200 0.149 0.000 2.007 349 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 349 E C 2.020 178.780 176.600 0.266 0.000 0.999 349 E CA 0.841 57.352 56.400 0.185 0.000 0.811 349 E CB -0.754 29.042 29.700 0.161 0.000 0.762 349 E HN 0.621 nan 8.360 nan 0.000 0.450 350 W N 2.326 123.698 121.300 0.119 0.000 2.350 350 W HA -0.182 4.478 4.660 -0.000 0.000 0.289 350 W C 2.191 178.800 176.519 0.150 0.000 1.215 350 W CA 1.948 59.371 57.345 0.130 0.000 1.236 350 W CB 0.087 29.608 29.460 0.101 0.000 1.130 350 W HN -0.003 nan 8.180 nan 0.000 0.541 351 R N -1.573 119.084 120.500 0.262 0.000 2.119 351 R HA -0.123 4.217 4.340 -0.000 0.000 0.222 351 R C 2.265 178.573 176.300 0.013 0.000 1.088 351 R CA 1.254 57.408 56.100 0.090 0.000 0.984 351 R CB -1.129 29.299 30.300 0.214 0.000 0.884 351 R HN 0.301 nan 8.270 nan 0.000 0.447 352 H N 0.762 119.828 119.070 -0.007 0.000 2.546 352 H HA 0.048 4.604 4.556 -0.000 0.000 0.277 352 H C 0.479 175.758 175.328 -0.081 0.000 1.004 352 H CA 0.877 56.906 56.048 -0.031 0.000 1.231 352 H CB 0.427 30.190 29.762 0.002 0.000 1.382 352 H HN 0.146 nan 8.280 nan 0.000 0.580 353 N N -0.815 117.814 118.700 -0.120 0.000 2.510 353 N HA -0.011 4.729 4.740 -0.000 0.000 0.186 353 N C 0.852 176.125 175.510 -0.395 0.000 1.051 353 N CA 0.509 53.427 53.050 -0.220 0.000 0.877 353 N CB 0.120 38.571 38.487 -0.060 0.000 1.183 353 N HN 0.453 nan 8.380 nan 0.000 0.443 354 H N -1.161 117.584 119.070 -0.541 0.000 3.540 354 H HA 0.567 5.123 4.556 -0.000 0.000 0.259 354 H C 0.286 175.226 175.328 -0.647 0.000 1.197 354 H CA 0.129 55.767 56.048 -0.683 0.000 1.136 354 H CB 1.158 30.314 29.762 -1.010 0.000 1.605 354 H HN 0.161 nan 8.280 nan 0.000 0.657 355 A N -0.115 122.465 122.820 -0.399 0.000 3.907 355 A HA 0.711 5.031 4.320 -0.000 0.000 0.166 355 A C -1.078 176.462 177.584 -0.074 0.000 0.948 355 A CA -0.481 51.450 52.037 -0.176 0.000 1.077 355 A CB 0.549 19.522 19.000 -0.046 0.000 1.553 355 A HN 0.121 nan 8.150 nan 0.000 0.740 356 L N -0.630 120.601 121.223 0.014 0.000 2.333 356 L HA 0.644 4.983 4.340 -0.000 0.000 0.263 356 L C -1.126 175.792 176.870 0.080 0.000 1.014 356 L CA -0.836 54.030 54.840 0.044 0.000 0.820 356 L CB 2.205 44.324 42.059 0.100 0.000 1.352 356 L HN 0.410 nan 8.230 nan 0.000 0.421 357 V N 2.506 122.471 119.914 0.085 0.000 2.315 357 V HA 0.308 4.428 4.120 -0.000 0.000 0.265 357 V C -0.667 175.499 176.094 0.121 0.000 1.019 357 V CA -0.450 61.915 62.300 0.108 0.000 0.824 357 V CB 0.553 32.438 31.823 0.103 0.000 1.072 357 V HN 0.521 nan 8.190 nan 0.000 0.448 358 F N 5.848 125.807 119.950 0.015 0.000 2.571 358 F HA 0.382 4.909 4.527 -0.000 0.000 0.390 358 F C 0.983 176.786 175.800 0.005 0.000 1.043 358 F CA 0.669 58.674 58.000 0.008 0.000 1.164 358 F CB 0.249 39.251 39.000 0.003 0.000 1.049 358 F HN 0.575 nan 8.300 nan 0.000 0.552 359 K N 4.964 125.006 120.400 -0.597 0.000 2.351 359 K HA 0.125 4.445 4.320 -0.000 0.000 0.287 359 K C -0.557 175.674 176.600 -0.614 0.000 1.068 359 K CA -0.130 55.874 56.287 -0.471 0.000 0.998 359 K CB -0.796 31.487 32.500 -0.361 0.000 0.968 359 K HN 0.791 nan 8.250 nan 0.000 0.464 360 D N 1.259 121.504 120.400 -0.258 0.000 2.312 360 D HA 0.439 5.079 4.640 -0.000 0.000 0.252 360 D C 1.013 177.256 176.300 -0.095 0.000 1.150 360 D CA 0.412 54.354 54.000 -0.096 0.000 0.870 360 D CB 0.921 41.730 40.800 0.016 0.000 1.153 360 D HN 0.734 nan 8.370 nan 0.000 0.457 361 R N 2.724 123.200 120.500 -0.040 0.000 2.543 361 R HA 0.515 4.855 4.340 -0.000 0.000 0.268 361 R C -2.288 173.958 176.300 -0.090 0.000 1.067 361 R CA -1.378 54.697 56.100 -0.041 0.000 1.142 361 R CB -1.068 29.247 30.300 0.025 0.000 1.110 361 R HN 0.387 nan 8.270 nan 0.000 0.549 362 P HA 0.134 nan 4.420 nan 0.000 0.266 362 P C -1.160 175.836 177.300 -0.507 0.000 1.195 362 P CA -0.016 62.834 63.100 -0.416 0.000 0.768 362 P CB 0.557 31.854 31.700 -0.672 0.000 0.838 363 D N 1.862 122.019 120.400 -0.405 0.000 2.467 363 D HA 0.189 4.829 4.640 -0.000 0.000 0.220 363 D C -0.763 175.377 176.300 -0.265 0.000 1.103 363 D CA -0.403 53.450 54.000 -0.246 0.000 0.886 363 D CB -0.245 40.485 40.800 -0.118 0.000 1.025 363 D HN 0.195 nan 8.370 nan 0.000 0.514 364 Y N 1.921 122.209 120.300 -0.021 0.000 2.359 364 Y HA 0.328 4.878 4.550 -0.000 0.000 0.330 364 Y C 1.123 176.944 175.900 -0.131 0.000 1.143 364 Y CA -0.264 57.783 58.100 -0.088 0.000 1.318 364 Y CB 0.851 39.251 38.460 -0.099 0.000 1.234 364 Y HN 0.085 nan 8.280 nan 0.000 0.522 365 R N 2.657 123.146 120.500 -0.018 0.000 2.599 365 R HA 0.453 4.792 4.340 -0.000 0.000 0.295 365 R C -1.717 174.510 176.300 -0.122 0.000 0.963 365 R CA -0.848 55.243 56.100 -0.015 0.000 0.883 365 R CB 0.958 31.274 30.300 0.027 0.000 1.171 365 R HN 0.521 nan 8.270 nan 0.000 0.450 366 F N 4.453 124.388 119.950 -0.026 0.000 2.424 366 F HA 0.288 4.815 4.527 -0.000 0.000 0.356 366 F C 0.448 176.233 175.800 -0.023 0.000 1.110 366 F CA -0.548 57.405 58.000 -0.077 0.000 1.161 366 F CB 0.763 39.704 39.000 -0.099 0.000 1.115 366 F HN 0.163 nan 8.300 nan 0.000 0.507 367 I N 5.908 126.543 120.570 0.108 0.000 2.291 367 I HA 0.224 4.394 4.170 -0.000 0.000 0.292 367 I C -0.133 176.058 176.117 0.124 0.000 1.064 367 I CA -0.315 61.042 61.300 0.096 0.000 1.269 367 I CB 0.100 38.133 38.000 0.055 0.000 1.418 367 I HN 0.466 nan 8.210 nan 0.000 0.485 368 L N 4.957 126.261 121.223 0.135 0.000 2.331 368 L HA 0.649 4.989 4.340 -0.000 0.000 0.275 368 L C 0.975 177.908 176.870 0.105 0.000 1.022 368 L CA -0.660 54.267 54.840 0.146 0.000 0.812 368 L CB 1.926 44.086 42.059 0.168 0.000 1.257 368 L HN 0.614 nan 8.230 nan 0.000 0.435 369 G N -0.050 108.812 108.800 0.104 0.000 2.616 369 G HA2 0.081 4.041 3.960 -0.000 0.000 0.268 369 G HA3 0.081 4.041 3.960 -0.000 0.000 0.268 369 G C 0.512 175.438 174.900 0.044 0.000 1.213 369 G CA -0.295 44.845 45.100 0.066 0.000 0.926 369 G HN 0.846 nan 8.290 nan 0.000 0.523 370 E N -0.737 119.479 120.200 0.026 0.000 2.331 370 E HA -0.096 4.254 4.350 -0.000 0.000 0.199 370 E C 1.227 177.838 176.600 0.019 0.000 1.008 370 E CA 0.932 57.339 56.400 0.012 0.000 0.843 370 E CB 0.001 29.706 29.700 0.009 0.000 0.761 370 E HN 0.419 nan 8.360 nan 0.000 0.507 371 K N -1.442 118.975 120.400 0.029 0.000 2.564 371 K HA 0.173 4.493 4.320 -0.000 0.000 0.205 371 K C 0.355 176.993 176.600 0.064 0.000 1.053 371 K CA 0.391 56.716 56.287 0.064 0.000 1.072 371 K CB 1.424 33.898 32.500 -0.044 0.000 0.822 371 K HN 0.202 nan 8.250 nan 0.000 0.497 372 G N 1.824 110.701 108.800 0.128 0.000 2.176 372 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 372 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 372 G C -0.346 174.788 174.900 0.391 0.000 0.979 372 G CA 0.034 45.298 45.100 0.274 0.000 0.641 372 G HN 0.390 nan 8.290 nan 0.000 0.530 373 E N 0.119 120.435 120.200 0.194 0.000 2.414 373 E HA 0.413 4.763 4.350 -0.000 0.000 0.263 373 E C 0.536 177.275 176.600 0.232 0.000 1.000 373 E CA -0.242 56.287 56.400 0.215 0.000 0.914 373 E CB 1.107 30.859 29.700 0.086 0.000 0.948 373 E HN 0.240 nan 8.360 nan 0.000 0.444 374 V N 4.957 125.030 119.914 0.265 0.000 2.405 374 V HA -0.015 4.105 4.120 -0.000 0.000 0.264 374 V C 1.129 177.389 176.094 0.276 0.000 1.048 374 V CA 0.061 62.512 62.300 0.252 0.000 0.966 374 V CB 0.078 32.066 31.823 0.276 0.000 1.015 374 V HN 0.699 nan 8.190 nan 0.000 0.477 375 L N 2.480 123.820 121.223 0.195 0.000 2.341 375 L HA 0.269 4.609 4.340 -0.000 0.000 0.214 375 L C 0.565 177.580 176.870 0.241 0.000 1.115 375 L CA 0.869 55.831 54.840 0.204 0.000 0.820 375 L CB 0.112 42.253 42.059 0.137 0.000 0.944 375 L HN 0.691 nan 8.230 nan 0.000 0.452 376 D N -1.472 118.973 120.400 0.076 0.000 2.926 376 D HA 0.344 4.984 4.640 -0.000 0.000 0.272 376 D C -1.552 174.544 176.300 -0.340 0.000 1.172 376 D CA -0.404 53.562 54.000 -0.057 0.000 0.731 376 D CB 1.419 42.261 40.800 0.069 0.000 1.282 376 D HN -0.143 nan 8.370 nan 0.000 0.430 377 I N 1.268 121.591 120.570 -0.412 0.000 2.512 377 I HA 0.481 4.650 4.170 -0.000 0.000 0.287 377 I C -0.354 175.694 176.117 -0.114 0.000 1.069 377 I CA -1.111 59.959 61.300 -0.383 0.000 1.056 377 I CB 1.910 39.538 38.000 -0.619 0.000 1.229 377 I HN 0.212 nan 8.210 nan 0.000 0.429 378 V N 2.297 122.185 119.914 -0.043 0.000 2.588 378 V HA 0.849 4.969 4.120 -0.000 0.000 0.304 378 V C 0.261 176.397 176.094 0.070 0.000 1.042 378 V CA -0.810 61.515 62.300 0.043 0.000 0.877 378 V CB 1.606 33.442 31.823 0.021 0.000 0.996 378 V HN 0.797 nan 8.190 nan 0.000 0.425 379 A N 2.846 125.712 122.820 0.077 0.000 2.444 379 A HA 0.598 4.917 4.320 -0.000 0.000 0.273 379 A C 0.699 178.223 177.584 -0.100 0.000 1.136 379 A CA 0.519 52.495 52.037 -0.100 0.000 0.799 379 A CB -0.415 18.525 19.000 -0.100 0.000 1.081 379 A HN 1.700 nan 8.150 nan 0.000 0.509 380 E N 4.961 125.081 120.200 -0.132 0.000 2.070 380 E HA 0.466 4.816 4.350 -0.000 0.000 0.282 380 E C -2.460 174.074 176.600 -0.109 0.000 1.104 380 E CA -1.837 54.510 56.400 -0.089 0.000 0.876 380 E CB -0.390 29.269 29.700 -0.068 0.000 1.055 380 E HN 0.657 nan 8.360 nan 0.000 0.401 381 P HA 0.297 nan 4.420 nan 0.000 0.285 381 P C -0.638 176.608 177.300 -0.090 0.000 1.259 381 P CA -0.553 62.496 63.100 -0.084 0.000 0.794 381 P CB 0.904 32.569 31.700 -0.059 0.000 0.940 382 R N 3.607 124.048 120.500 -0.100 0.000 2.351 382 R HA 0.229 4.569 4.340 -0.000 0.000 0.321 382 R C 0.898 177.137 176.300 -0.102 0.000 1.182 382 R CA -0.209 55.817 56.100 -0.122 0.000 1.011 382 R CB 0.356 30.590 30.300 -0.111 0.000 1.048 382 R HN 0.430 nan 8.270 nan 0.000 0.490 383 R N 1.312 121.748 120.500 -0.107 0.000 2.517 383 R HA 0.157 4.497 4.340 -0.000 0.000 0.250 383 R C 1.740 177.997 176.300 -0.071 0.000 1.213 383 R CA -0.627 55.432 56.100 -0.069 0.000 1.146 383 R CB 0.465 30.741 30.300 -0.040 0.000 1.279 383 R HN 0.435 nan 8.270 nan 0.000 0.597 384 I N 1.205 121.755 120.570 -0.032 0.000 2.127 384 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 384 I C 2.193 178.303 176.117 -0.013 0.000 1.075 384 I CA 2.148 63.438 61.300 -0.015 0.000 1.334 384 I CB -0.300 37.705 38.000 0.007 0.000 1.040 384 I HN 0.771 nan 8.210 nan 0.000 0.405 385 A N 0.949 123.776 122.820 0.011 0.000 1.884 385 A HA -0.345 3.975 4.320 -0.000 0.000 0.219 385 A C 1.920 179.456 177.584 -0.080 0.000 1.197 385 A CA 2.726 54.795 52.037 0.053 0.000 0.637 385 A CB -1.417 17.679 19.000 0.160 0.000 0.827 385 A HN 0.654 nan 8.150 nan 0.000 0.450 386 N N -0.335 118.165 118.700 -0.334 0.000 2.037 386 N HA -0.210 4.530 4.740 -0.000 0.000 0.196 386 N C 1.999 177.367 175.510 -0.238 0.000 1.034 386 N CA 2.989 55.712 53.050 -0.545 0.000 0.861 386 N CB -0.625 37.578 38.487 -0.472 0.000 1.039 386 N HN 0.598 nan 8.380 nan 0.000 0.427 387 R N 0.902 121.326 120.500 -0.126 0.000 2.148 387 R HA 0.103 4.443 4.340 -0.000 0.000 0.227 387 R C 2.152 178.446 176.300 -0.011 0.000 1.103 387 R CA 1.214 57.282 56.100 -0.053 0.000 0.983 387 R CB -1.588 28.692 30.300 -0.034 0.000 0.874 387 R HN 0.287 nan 8.270 nan 0.000 0.451 388 I N 0.142 120.713 120.570 0.003 0.000 2.039 388 I HA -0.313 3.857 4.170 -0.000 0.000 0.233 388 I C 2.404 178.549 176.117 0.047 0.000 1.040 388 I CA 1.975 63.297 61.300 0.037 0.000 1.308 388 I CB -0.619 37.419 38.000 0.063 0.000 1.035 388 I HN 0.160 nan 8.210 nan 0.000 0.392 389 V N 0.953 120.910 119.914 0.071 0.000 2.250 389 V HA -0.397 3.722 4.120 -0.000 0.000 0.253 389 V C 2.533 178.658 176.094 0.051 0.000 1.065 389 V CA 2.538 64.891 62.300 0.087 0.000 1.039 389 V CB -0.922 31.007 31.823 0.177 0.000 0.647 389 V HN 0.603 nan 8.190 nan 0.000 0.446 390 E N -0.012 120.206 120.200 0.029 0.000 2.065 390 E HA -0.305 4.045 4.350 -0.000 0.000 0.201 390 E C 2.181 178.814 176.600 0.055 0.000 1.016 390 E CA 1.969 58.387 56.400 0.031 0.000 0.818 390 E CB -0.248 29.457 29.700 0.008 0.000 0.749 390 E HN 0.602 nan 8.360 nan 0.000 0.453 391 E N 0.659 120.892 120.200 0.055 0.000 2.153 391 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 391 E C 0.979 177.623 176.600 0.074 0.000 0.988 391 E CA 0.743 57.188 56.400 0.075 0.000 0.811 391 E CB -0.318 29.423 29.700 0.069 0.000 0.746 391 E HN 0.401 nan 8.360 nan 0.000 0.466 395 A N 1.361 124.270 122.820 0.148 0.000 1.883 395 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 395 A C 2.375 180.050 177.584 0.152 0.000 1.186 395 A CA 2.677 54.785 52.037 0.119 0.000 0.624 395 A CB -0.831 18.215 19.000 0.076 0.000 0.822 395 A HN 0.485 nan 8.150 nan 0.000 0.444 396 A N -0.011 122.910 122.820 0.170 0.000 1.908 396 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 396 A C 1.907 179.830 177.584 0.564 0.000 1.181 396 A CA 1.949 54.197 52.037 0.352 0.000 0.627 396 A CB -0.579 18.473 19.000 0.086 0.000 0.818 396 A HN 0.566 nan 8.150 nan 0.000 0.445 397 N N -0.396 118.414 118.700 0.184 0.000 2.376 397 N HA 0.059 4.799 4.740 -0.000 0.000 0.177 397 N C 1.564 176.970 175.510 -0.174 0.000 1.024 397 N CA 0.904 53.928 53.050 -0.044 0.000 0.893 397 N CB -0.289 37.904 38.487 -0.491 0.000 0.980 397 N HN 0.561 nan 8.380 nan 0.000 0.439 398 I N 0.251 120.820 120.570 -0.002 0.000 2.252 398 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 398 I C 1.985 178.164 176.117 0.103 0.000 1.102 398 I CA 0.698 62.056 61.300 0.096 0.000 1.385 398 I CB -0.185 37.921 38.000 0.176 0.000 1.064 398 I HN 0.106 nan 8.210 nan 0.000 0.414 399 C N 0.766 120.168 119.300 0.169 0.000 2.429 399 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 399 C C 3.215 178.278 174.990 0.121 0.000 1.262 399 C CA 0.823 59.968 59.018 0.212 0.000 1.733 399 C CB -1.249 26.698 27.740 0.345 0.000 2.010 399 C HN 0.599 nan 8.230 nan 0.000 0.483 400 A N 0.742 123.591 122.820 0.049 0.000 1.892 400 A HA -0.074 4.245 4.320 -0.000 0.000 0.218 400 A C 2.364 179.809 177.584 -0.230 0.000 1.188 400 A CA 2.444 54.263 52.037 -0.363 0.000 0.631 400 A CB -0.962 17.859 19.000 -0.298 0.000 0.822 400 A HN 0.604 nan 8.150 nan 0.000 0.447 401 A N -0.493 122.282 122.820 -0.075 0.000 1.873 401 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 401 A C 2.223 179.879 177.584 0.120 0.000 1.186 401 A CA 1.591 53.668 52.037 0.066 0.000 0.616 401 A CB -0.447 18.649 19.000 0.159 0.000 0.823 401 A HN 0.549 nan 8.150 nan 0.000 0.442 402 R N -0.705 119.833 120.500 0.063 0.000 2.096 402 R HA -0.111 4.229 4.340 -0.000 0.000 0.229 402 R C 2.026 178.319 176.300 -0.012 0.000 1.134 402 R CA 1.727 57.848 56.100 0.035 0.000 0.917 402 R CB -0.905 29.413 30.300 0.031 0.000 0.832 402 R HN 0.310 nan 8.270 nan 0.000 0.430 403 V N 1.487 121.365 119.914 -0.059 0.000 2.380 403 V HA -0.241 3.879 4.120 -0.000 0.000 0.251 403 V C 2.235 178.242 176.094 -0.146 0.000 1.063 403 V CA 1.714 63.941 62.300 -0.121 0.000 1.055 403 V CB -0.460 31.234 31.823 -0.214 0.000 0.657 403 V HN 0.306 nan 8.190 nan 0.000 0.455 404 L N -0.488 120.651 121.223 -0.140 0.000 2.156 404 L HA -0.132 4.207 4.340 -0.000 0.000 0.208 404 L C 3.062 179.928 176.870 -0.006 0.000 1.095 404 L CA 1.548 56.347 54.840 -0.070 0.000 0.770 404 L CB -0.781 41.249 42.059 -0.049 0.000 0.914 404 L HN 0.389 nan 8.230 nan 0.000 0.439 405 R N 0.378 120.892 120.500 0.023 0.000 2.061 405 R HA -0.174 4.165 4.340 -0.000 0.000 0.230 405 R C 1.813 178.044 176.300 -0.116 0.000 1.140 405 R CA 1.952 58.013 56.100 -0.065 0.000 0.940 405 R CB -1.529 28.747 30.300 -0.040 0.000 0.839 405 R HN 0.313 nan 8.270 nan 0.000 0.429 406 D N 0.747 121.101 120.400 -0.076 0.000 2.103 406 D HA -0.150 4.490 4.640 -0.000 0.000 0.190 406 D C 1.844 178.092 176.300 -0.087 0.000 0.997 406 D CA 1.563 55.519 54.000 -0.073 0.000 0.833 406 D CB -0.071 40.700 40.800 -0.048 0.000 0.961 406 D HN 0.277 nan 8.370 nan 0.000 0.447 407 K N -0.202 120.148 120.400 -0.083 0.000 2.103 407 K HA 0.065 4.385 4.320 -0.000 0.000 0.204 407 K C 2.170 178.725 176.600 -0.075 0.000 1.052 407 K CA 0.619 56.865 56.287 -0.068 0.000 0.945 407 K CB 0.068 32.529 32.500 -0.065 0.000 0.722 407 K HN 0.286 nan 8.250 nan 0.000 0.443 408 L N -2.390 118.752 121.223 -0.135 0.000 2.666 408 L HA 0.258 4.598 4.340 -0.000 0.000 0.184 408 L C 1.221 177.615 176.870 -0.793 0.000 1.092 408 L CA 0.475 55.158 54.840 -0.261 0.000 0.857 408 L CB -0.440 41.633 42.059 0.024 0.000 1.281 408 L HN 0.227 nan 8.230 nan 0.000 0.489 409 G N 1.315 109.796 108.800 -0.532 0.000 2.198 409 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 409 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 409 G C -0.180 174.261 174.900 -0.765 0.000 1.025 409 G CA 0.375 45.099 45.100 -0.626 0.000 0.769 409 G HN 0.261 nan 8.290 nan 0.000 0.507 410 F N -1.211 118.783 119.950 0.073 0.000 2.599 410 F HA 0.783 5.310 4.527 -0.000 0.000 0.311 410 F C 0.749 176.688 175.800 0.232 0.000 1.076 410 F CA -0.276 57.796 58.000 0.120 0.000 0.937 410 F CB 2.049 41.084 39.000 0.058 0.000 1.282 410 F HN 0.703 nan 8.300 nan 0.000 0.460 411 G N 0.759 109.827 108.800 0.447 0.000 2.350 411 G HA2 0.242 4.202 3.960 -0.000 0.000 0.282 411 G HA3 0.242 4.202 3.960 -0.000 0.000 0.282 411 G C -2.311 172.726 174.900 0.228 0.000 1.314 411 G CA -1.137 44.114 45.100 0.251 0.000 0.915 411 G HN 0.429 nan 8.290 nan 0.000 0.499 412 I N 1.547 122.108 120.570 -0.015 0.000 2.307 412 I HA 0.412 4.582 4.170 -0.000 0.000 0.287 412 I C -0.801 175.240 176.117 -0.126 0.000 1.054 412 I CA -0.692 60.620 61.300 0.020 0.000 1.218 412 I CB -0.108 37.901 38.000 0.015 0.000 1.398 412 I HN 0.351 nan 8.210 nan 0.000 0.475 413 Y N 4.469 124.832 120.300 0.105 0.000 2.387 413 Y HA 0.362 4.912 4.550 -0.000 0.000 0.336 413 Y C 0.739 176.733 175.900 0.156 0.000 1.067 413 Y CA -0.782 57.392 58.100 0.124 0.000 1.114 413 Y CB 1.196 39.727 38.460 0.118 0.000 1.208 413 Y HN 0.393 nan 8.280 nan 0.000 0.458 414 N N 2.985 121.868 118.700 0.304 0.000 2.558 414 N HA 0.270 5.010 4.740 -0.000 0.000 0.233 414 N C -0.764 174.983 175.510 0.396 0.000 1.038 414 N CA -0.177 53.039 53.050 0.277 0.000 0.934 414 N CB 1.061 39.644 38.487 0.161 0.000 1.175 414 N HN 0.458 nan 8.380 nan 0.000 0.512 415 V N -0.557 119.589 119.914 0.386 0.000 2.837 415 V HA 0.585 4.705 4.120 -0.000 0.000 0.310 415 V C 0.029 176.333 176.094 0.350 0.000 1.059 415 V CA -0.488 62.029 62.300 0.363 0.000 1.004 415 V CB 2.312 34.270 31.823 0.224 0.000 1.045 415 V HN 0.646 nan 8.190 nan 0.000 0.465 419 F N 1.207 120.984 119.950 -0.288 0.000 2.602 419 F HA 0.196 4.723 4.527 -0.000 0.000 0.367 419 F C 1.166 176.882 175.800 -0.140 0.000 1.126 419 F CA -0.103 57.841 58.000 -0.093 0.000 1.321 419 F CB 0.602 39.626 39.000 0.040 0.000 1.094 419 F HN 0.246 nan 8.300 nan 0.000 0.594 420 D N 4.663 125.135 120.400 0.120 0.000 2.383 420 D HA 0.058 4.698 4.640 -0.000 0.000 0.252 420 D C -1.662 174.684 176.300 0.076 0.000 1.166 420 D CA -1.653 52.373 54.000 0.043 0.000 0.879 420 D CB 1.523 42.350 40.800 0.044 0.000 1.164 420 D HN 0.187 nan 8.370 nan 0.000 0.462 421 P HA -0.147 nan 4.420 nan 0.000 0.219 421 P C 0.692 178.021 177.300 0.047 0.000 1.144 421 P CA 1.196 64.321 63.100 0.041 0.000 0.806 421 P CB 0.245 31.958 31.700 0.020 0.000 0.771 422 A N -0.135 122.716 122.820 0.051 0.000 1.898 422 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 422 A C 1.926 179.564 177.584 0.091 0.000 1.183 422 A CA 1.303 53.373 52.037 0.056 0.000 0.622 422 A CB -1.074 17.950 19.000 0.041 0.000 0.824 422 A HN 0.143 nan 8.150 nan 0.000 0.444 423 N N 0.931 119.715 118.700 0.139 0.000 2.512 423 N HA 0.029 4.769 4.740 -0.000 0.000 0.183 423 N C 1.636 177.247 175.510 0.168 0.000 1.073 423 N CA 1.013 54.226 53.050 0.272 0.000 0.911 423 N CB -0.524 38.213 38.487 0.416 0.000 0.964 423 N HN 0.467 nan 8.380 nan 0.000 0.447 424 A N 2.036 124.902 122.820 0.078 0.000 1.852 424 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 424 A C 1.931 179.464 177.584 -0.084 0.000 1.215 424 A CA 1.852 53.884 52.037 -0.007 0.000 0.641 424 A CB -0.819 18.204 19.000 0.038 0.000 0.838 424 A HN 0.130 nan 8.150 nan 0.000 0.450 425 D N -0.400 119.984 120.400 -0.027 0.000 2.116 425 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 425 D C 2.211 178.475 176.300 -0.060 0.000 0.998 425 D CA 1.775 55.753 54.000 -0.035 0.000 0.836 425 D CB -0.349 40.452 40.800 0.001 0.000 0.951 425 D HN 0.435 nan 8.370 nan 0.000 0.449 426 A N 0.387 123.211 122.820 0.008 0.000 2.019 426 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 426 A C 2.150 179.616 177.584 -0.196 0.000 1.164 426 A CA 0.843 52.929 52.037 0.081 0.000 0.644 426 A CB -0.371 18.846 19.000 0.362 0.000 0.805 426 A HN 0.274 nan 8.150 nan 0.000 0.449 427 L N -0.981 119.840 121.223 -0.669 0.000 2.127 427 L HA 0.240 4.580 4.340 -0.000 0.000 0.203 427 L C 2.475 178.989 176.870 -0.594 0.000 1.080 427 L CA 1.834 55.927 54.840 -1.245 0.000 0.768 427 L CB -0.537 40.620 42.059 -1.504 0.000 0.924 427 L HN 0.226 nan 8.230 nan 0.000 0.444 428 A N -0.400 122.194 122.820 -0.377 0.000 2.067 428 A HA 0.055 4.375 4.320 -0.000 0.000 0.219 428 A C 2.290 179.781 177.584 -0.156 0.000 1.158 428 A CA 1.467 53.371 52.037 -0.222 0.000 0.661 428 A CB -0.833 18.081 19.000 -0.143 0.000 0.801 428 A HN 0.588 nan 8.150 nan 0.000 0.452 429 A N -0.221 122.511 122.820 -0.147 0.000 1.850 429 A HA 0.160 4.479 4.320 -0.000 0.000 0.212 429 A C 2.014 179.559 177.584 -0.066 0.000 1.208 429 A CA 1.162 53.150 52.037 -0.080 0.000 0.609 429 A CB -0.791 18.184 19.000 -0.042 0.000 0.860 429 A HN 0.857 nan 8.150 nan 0.000 0.448 430 L N -0.156 121.026 121.223 -0.069 0.000 2.189 430 L HA -0.153 4.187 4.340 -0.000 0.000 0.214 430 L C 2.044 178.909 176.870 -0.009 0.000 1.097 430 L CA 1.628 56.461 54.840 -0.011 0.000 0.764 430 L CB -0.320 41.752 42.059 0.021 0.000 0.900 430 L HN 0.393 nan 8.230 nan 0.000 0.436 431 L N -0.387 120.779 121.223 -0.094 0.000 2.044 431 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 431 L C 3.079 179.932 176.870 -0.029 0.000 1.075 431 L CA 1.541 56.336 54.840 -0.075 0.000 0.747 431 L CB -0.998 40.972 42.059 -0.147 0.000 0.903 431 L HN 0.321 nan 8.230 nan 0.000 0.435 432 K N -0.018 120.348 120.400 -0.056 0.000 2.001 432 K HA -0.250 4.070 4.320 -0.000 0.000 0.214 432 K C 1.939 178.514 176.600 -0.042 0.000 1.050 432 K CA 2.416 58.665 56.287 -0.064 0.000 0.934 432 K CB -1.886 30.573 32.500 -0.069 0.000 0.718 432 K HN 0.334 nan 8.250 nan 0.000 0.443 433 T N 0.016 114.552 114.554 -0.028 0.000 2.840 433 T HA -0.256 4.094 4.350 -0.000 0.000 0.255 433 T C 1.390 176.026 174.700 -0.106 0.000 1.037 433 T CA 1.923 63.995 62.100 -0.046 0.000 1.162 433 T CB -0.504 68.366 68.868 0.003 0.000 0.833 433 T HN 0.712 nan 8.240 nan 0.000 0.486 434 H N -0.628 118.431 119.070 -0.018 0.000 2.505 434 H HA 0.375 4.931 4.556 -0.000 0.000 0.289 434 H C 1.788 177.107 175.328 -0.014 0.000 1.052 434 H CA 0.568 56.619 56.048 0.006 0.000 1.156 434 H CB 0.204 29.990 29.762 0.040 0.000 1.507 434 H HN 0.590 nan 8.280 nan 0.000 0.548 435 G N 1.352 110.159 108.800 0.012 0.000 2.176 435 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.253 435 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.253 435 G C 0.246 175.092 174.900 -0.090 0.000 0.979 435 G CA 0.120 45.192 45.100 -0.047 0.000 0.641 435 G HN 0.343 nan 8.290 nan 0.000 0.530 436 L N 3.484 124.689 121.223 -0.031 0.000 2.342 436 L HA 0.389 4.729 4.340 -0.000 0.000 0.285 436 L C 0.957 177.793 176.870 -0.056 0.000 1.095 436 L CA -0.789 54.051 54.840 -0.001 0.000 0.843 436 L CB 0.061 42.129 42.059 0.016 0.000 1.201 436 L HN 0.280 nan 8.230 nan 0.000 0.445 437 H N 4.184 123.246 119.070 -0.013 0.000 3.070 437 H HA 0.155 4.711 4.556 -0.000 0.000 0.313 437 H C -0.175 175.137 175.328 -0.027 0.000 0.997 437 H CA 0.151 56.188 56.048 -0.018 0.000 1.438 437 H CB 1.040 30.793 29.762 -0.015 0.000 1.455 437 H HN 0.432 nan 8.280 nan 0.000 0.575 438 V N 3.228 123.177 119.914 0.059 0.000 3.206 438 V HA 0.264 4.384 4.120 -0.000 0.000 0.305 438 V C -1.333 174.770 176.094 0.016 0.000 1.257 438 V CA -0.756 61.554 62.300 0.017 0.000 1.057 438 V CB 3.042 34.842 31.823 -0.037 0.000 1.075 438 V HN 0.852 nan 8.190 nan 0.000 0.443 439 D N 1.640 122.049 120.400 0.015 0.000 2.863 439 D HA 0.617 5.257 4.640 -0.000 0.000 0.245 439 D C 0.358 176.670 176.300 0.021 0.000 1.211 439 D CA 0.256 54.267 54.000 0.020 0.000 0.888 439 D CB 2.495 43.316 40.800 0.034 0.000 1.483 439 D HN 0.717 nan 8.370 nan 0.000 0.533 440 A N 2.975 125.800 122.820 0.008 0.000 2.016 440 A HA 0.084 4.403 4.320 -0.000 0.000 0.217 440 A C 1.831 179.442 177.584 0.045 0.000 1.162 440 A CA 1.891 53.933 52.037 0.007 0.000 0.662 440 A CB -0.452 18.539 19.000 -0.015 0.000 0.812 440 A HN 0.664 nan 8.150 nan 0.000 0.450 441 E N 0.441 120.669 120.200 0.047 0.000 2.015 441 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 441 E C 1.776 178.433 176.600 0.094 0.000 0.991 441 E CA 1.386 57.824 56.400 0.063 0.000 0.802 441 E CB -0.874 28.855 29.700 0.048 0.000 0.759 441 E HN 0.780 nan 8.360 nan 0.000 0.447 442 E N -0.074 120.180 120.200 0.089 0.000 2.086 442 E HA -0.224 4.126 4.350 -0.000 0.000 0.205 442 E C 2.374 179.086 176.600 0.187 0.000 1.027 442 E CA 2.447 58.915 56.400 0.113 0.000 0.830 442 E CB -0.484 29.268 29.700 0.086 0.000 0.751 442 E HN 0.578 nan 8.360 nan 0.000 0.456 443 V N -0.858 119.188 119.914 0.221 0.000 2.867 443 V HA -0.167 3.953 4.120 -0.000 0.000 0.260 443 V C 1.911 178.298 176.094 0.487 0.000 1.099 443 V CA 1.350 63.884 62.300 0.390 0.000 1.122 443 V CB -0.583 31.472 31.823 0.387 0.000 0.708 443 V HN 0.166 nan 8.190 nan 0.000 0.490 444 L N 1.125 122.538 121.223 0.316 0.000 2.567 444 L HA 0.199 4.539 4.340 -0.000 0.000 0.225 444 L C 1.236 178.291 176.870 0.308 0.000 1.119 444 L CA 0.652 55.633 54.840 0.234 0.000 0.871 444 L CB -0.236 41.903 42.059 0.132 0.000 1.036 444 L HN 0.600 nan 8.230 nan 0.000 0.459 445 T N -4.298 110.453 114.554 0.328 0.000 2.952 445 T HA 0.331 4.681 4.350 -0.000 0.000 0.286 445 T C 1.122 175.954 174.700 0.219 0.000 1.024 445 T CA -0.741 61.526 62.100 0.278 0.000 1.029 445 T CB 1.914 70.867 68.868 0.142 0.000 1.094 445 T HN -0.110 nan 8.240 nan 0.000 0.515 446 L N 0.627 121.787 121.223 -0.105 0.000 2.131 446 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 446 L C 3.113 179.915 176.870 -0.113 0.000 1.092 446 L CA 2.261 56.831 54.840 -0.449 0.000 0.759 446 L CB -1.165 40.612 42.059 -0.469 0.000 0.903 446 L HN 1.076 nan 8.230 nan 0.000 0.435 447 D N -0.465 119.925 120.400 -0.016 0.000 2.077 447 D HA -0.144 4.496 4.640 -0.000 0.000 0.193 447 D C 2.105 178.433 176.300 0.047 0.000 0.989 447 D CA 1.438 55.442 54.000 0.007 0.000 0.831 447 D CB -1.153 39.656 40.800 0.015 0.000 0.979 447 D HN 0.432 nan 8.370 nan 0.000 0.449 448 G N -0.870 107.990 108.800 0.100 0.000 2.459 448 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.217 448 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.217 448 G C 1.506 176.502 174.900 0.159 0.000 1.183 448 G CA 1.167 46.338 45.100 0.117 0.000 0.776 448 G HN 0.498 nan 8.290 nan 0.000 0.552 449 F N 1.155 121.185 119.950 0.133 0.000 2.082 449 F HA -0.299 4.228 4.527 -0.000 0.000 0.298 449 F C 2.795 178.641 175.800 0.077 0.000 1.091 449 F CA 1.859 59.965 58.000 0.177 0.000 1.230 449 F CB -0.559 38.597 39.000 0.260 0.000 0.983 449 F HN 0.229 nan 8.300 nan 0.000 0.485 450 C N 0.371 119.752 119.300 0.135 0.000 2.436 450 C HA -0.197 4.262 4.460 -0.000 0.000 0.277 450 C C 3.084 178.020 174.990 -0.090 0.000 1.241 450 C CA 2.292 61.311 59.018 0.002 0.000 1.721 450 C CB -1.589 26.138 27.740 -0.021 0.000 2.043 450 C HN 0.610 nan 8.230 nan 0.000 0.472 451 K N -0.078 120.281 120.400 -0.068 0.000 2.103 451 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 451 K C 1.702 178.253 176.600 -0.083 0.000 1.048 451 K CA 1.897 58.137 56.287 -0.078 0.000 0.930 451 K CB -1.033 31.436 32.500 -0.052 0.000 0.716 451 K HN 0.518 nan 8.250 nan 0.000 0.444 452 L N 0.501 121.669 121.223 -0.092 0.000 1.943 452 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 452 L C 2.474 179.255 176.870 -0.148 0.000 1.074 452 L CA 1.854 56.628 54.840 -0.111 0.000 0.759 452 L CB -0.387 41.602 42.059 -0.117 0.000 0.888 452 L HN 0.304 nan 8.230 nan 0.000 0.433 453 R N 0.144 120.496 120.500 -0.248 0.000 2.165 453 R HA -0.219 4.121 4.340 -0.000 0.000 0.254 453 R C 2.330 178.560 176.300 -0.117 0.000 1.153 453 R CA 2.054 58.036 56.100 -0.197 0.000 0.971 453 R CB -0.856 29.308 30.300 -0.227 0.000 0.878 453 R HN 0.519 nan 8.270 nan 0.000 0.449 454 R N -0.365 120.067 120.500 -0.114 0.000 2.148 454 R HA -0.052 4.288 4.340 -0.000 0.000 0.223 454 R C 2.182 178.434 176.300 -0.079 0.000 1.088 454 R CA 1.028 57.068 56.100 -0.100 0.000 0.985 454 R CB -0.145 30.081 30.300 -0.125 0.000 0.880 454 R HN 0.352 nan 8.270 nan 0.000 0.451 455 E N 1.245 121.401 120.200 -0.073 0.000 2.047 455 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 455 E C 1.844 178.420 176.600 -0.041 0.000 0.987 455 E CA 0.809 57.179 56.400 -0.050 0.000 0.799 455 E CB 0.006 29.684 29.700 -0.037 0.000 0.752 455 E HN 0.170 nan 8.360 nan 0.000 0.449 456 L N 1.200 122.392 121.223 -0.053 0.000 1.991 456 L HA -0.298 4.042 4.340 -0.000 0.000 0.221 456 L C 2.037 178.883 176.870 -0.039 0.000 1.079 456 L CA 1.715 56.526 54.840 -0.048 0.000 0.778 456 L CB -0.735 41.289 42.059 -0.059 0.000 0.893 456 L HN 0.211 nan 8.230 nan 0.000 0.437 457 D N 0.024 120.396 120.400 -0.048 0.000 2.309 457 D HA -0.102 4.538 4.640 -0.000 0.000 0.212 457 D C 2.139 178.422 176.300 -0.028 0.000 0.968 457 D CA 1.171 55.145 54.000 -0.043 0.000 0.882 457 D CB -0.131 40.638 40.800 -0.053 0.000 0.918 457 D HN 0.392 nan 8.370 nan 0.000 0.503 458 A N 0.852 123.657 122.820 -0.025 0.000 1.883 458 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 458 A C 1.825 179.406 177.584 -0.005 0.000 1.186 458 A CA 1.777 53.806 52.037 -0.015 0.000 0.624 458 A CB -1.254 17.737 19.000 -0.016 0.000 0.822 458 A HN 0.338 nan 8.150 nan 0.000 0.444 459 Q N 0.367 120.168 119.800 0.000 0.000 2.349 459 Q HA 0.304 4.644 4.340 -0.000 0.000 0.287 459 Q C -0.860 175.148 176.000 0.014 0.000 1.044 459 Q CA -0.490 55.322 55.803 0.014 0.000 0.918 459 Q CB -1.069 27.683 28.738 0.024 0.000 1.242 459 Q HN 0.522 nan 8.270 nan 0.000 0.405 460 P HA -0.162 nan 4.420 nan 0.000 0.217 460 P C 0.649 177.962 177.300 0.022 0.000 1.158 460 P CA 2.275 65.384 63.100 0.016 0.000 0.887 460 P CB -0.022 31.688 31.700 0.016 0.000 0.792 461 T N -5.422 109.155 114.554 0.038 0.000 2.924 461 T HA 0.619 4.969 4.350 -0.000 0.000 0.291 461 T C 1.006 175.748 174.700 0.070 0.000 1.045 461 T CA -0.336 61.797 62.100 0.055 0.000 1.015 461 T CB 1.660 70.571 68.868 0.073 0.000 1.103 461 T HN 0.031 nan 8.240 nan 0.000 0.496 462 G N 0.143 108.982 108.800 0.066 0.000 3.210 462 G HA2 0.137 4.097 3.960 -0.000 0.000 0.220 462 G HA3 0.137 4.097 3.960 -0.000 0.000 0.220 462 G C 0.648 175.579 174.900 0.051 0.000 1.200 462 G CA -0.404 44.719 45.100 0.039 0.000 0.834 462 G HN 0.685 nan 8.290 nan 0.000 0.524 463 F N 1.462 121.393 119.950 -0.031 0.000 2.046 463 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 463 F C 2.466 178.209 175.800 -0.095 0.000 1.123 463 F CA 1.540 59.513 58.000 -0.045 0.000 1.199 463 F CB -0.172 38.808 39.000 -0.034 0.000 0.972 463 F HN 0.110 nan 8.300 nan 0.000 0.474 464 L N -0.194 120.977 121.223 -0.087 0.000 1.978 464 L HA -0.313 4.027 4.340 -0.000 0.000 0.218 464 L C 2.335 179.067 176.870 -0.230 0.000 1.075 464 L CA 1.825 56.522 54.840 -0.238 0.000 0.767 464 L CB -1.507 40.485 42.059 -0.113 0.000 0.890 464 L HN 0.242 nan 8.230 nan 0.000 0.434 465 D N 0.953 121.275 120.400 -0.130 0.000 2.495 465 D HA -0.298 4.342 4.640 -0.000 0.000 0.201 465 D C 2.233 178.464 176.300 -0.115 0.000 1.041 465 D CA 2.733 56.679 54.000 -0.091 0.000 0.890 465 D CB -0.254 40.514 40.800 -0.053 0.000 1.089 465 D HN 0.394 nan 8.370 nan 0.000 0.471 466 S N 0.040 115.652 115.700 -0.147 0.000 2.413 466 S HA -0.260 4.210 4.470 -0.000 0.000 0.237 466 S C 1.975 176.460 174.600 -0.193 0.000 1.044 466 S CA 1.376 59.486 58.200 -0.150 0.000 1.024 466 S CB -0.469 62.629 63.200 -0.169 0.000 0.829 466 S HN 0.258 nan 8.310 nan 0.000 0.475 467 R N 1.699 121.997 120.500 -0.336 0.000 2.139 467 R HA -0.021 4.319 4.340 -0.000 0.000 0.243 467 R C 2.434 178.703 176.300 -0.052 0.000 1.145 467 R CA 1.672 57.609 56.100 -0.271 0.000 0.976 467 R CB -1.085 28.983 30.300 -0.387 0.000 0.866 467 R HN 0.886 nan 8.270 nan 0.000 0.449 468 I N -2.622 117.940 120.570 -0.014 0.000 3.783 468 I HA 0.119 4.289 4.170 -0.000 0.000 0.310 468 I C 2.208 178.466 176.117 0.235 0.000 1.274 468 I CA 0.096 61.481 61.300 0.141 0.000 1.294 468 I CB -0.162 37.844 38.000 0.009 0.000 1.051 468 I HN -0.132 nan 8.210 nan 0.000 0.435 469 R N 2.632 123.207 120.500 0.126 0.000 2.246 469 R HA -0.269 4.071 4.340 -0.000 0.000 0.266 469 R C 2.412 178.791 176.300 0.132 0.000 1.163 469 R CA 3.013 59.187 56.100 0.123 0.000 0.992 469 R CB -0.417 29.917 30.300 0.055 0.000 0.895 469 R HN 0.632 nan 8.270 nan 0.000 0.465 470 R N -1.754 118.793 120.500 0.079 0.000 2.236 470 R HA -0.048 4.292 4.340 -0.000 0.000 0.208 470 R C 1.518 177.739 176.300 -0.132 0.000 1.036 470 R CA 1.234 57.291 56.100 -0.071 0.000 1.001 470 R CB -0.222 29.946 30.300 -0.220 0.000 0.896 470 R HN 0.228 nan 8.270 nan 0.000 0.464 471 F N 1.623 121.616 119.950 0.072 0.000 2.698 471 F HA 0.165 4.692 4.527 -0.000 0.000 0.295 471 F C 1.011 176.981 175.800 0.283 0.000 1.124 471 F CA -0.044 58.019 58.000 0.104 0.000 1.426 471 F CB 0.098 39.077 39.000 -0.036 0.000 1.120 471 F HN -0.060 nan 8.300 nan 0.000 0.583 472 Q N 0.601 120.682 119.800 0.468 0.000 2.395 472 Q HA 0.150 4.490 4.340 -0.000 0.000 0.271 472 Q C 0.040 176.179 176.000 0.231 0.000 1.026 472 Q CA 0.109 56.167 55.803 0.425 0.000 0.900 472 Q CB 0.797 29.739 28.738 0.341 0.000 1.266 472 Q HN 0.091 nan 8.270 nan 0.000 0.430 473 S N 0.038 115.810 115.700 0.120 0.000 2.690 473 S HA 0.726 5.196 4.470 -0.000 0.000 0.291 473 S C -0.509 174.209 174.600 0.195 0.000 1.138 473 S CA -0.653 57.553 58.200 0.009 0.000 1.013 473 S CB 1.028 64.064 63.200 -0.273 0.000 1.053 473 S HN 0.482 nan 8.310 nan 0.000 0.539 474 F N 0.138 120.166 119.950 0.129 0.000 2.436 474 F HA 0.831 5.357 4.527 -0.000 0.000 0.340 474 F C 0.489 176.423 175.800 0.223 0.000 1.113 474 F CA -1.835 56.269 58.000 0.174 0.000 1.022 474 F CB -0.403 38.654 39.000 0.095 0.000 1.128 474 F HN 0.964 nan 8.300 nan 0.000 0.466 475 A N 2.316 125.299 122.820 0.272 0.000 2.540 475 A HA 0.538 4.858 4.320 -0.000 0.000 0.239 475 A C 0.248 177.948 177.584 0.193 0.000 1.061 475 A CA 0.753 52.967 52.037 0.294 0.000 0.758 475 A CB -0.790 18.362 19.000 0.254 0.000 0.991 475 A HN 2.244 nan 8.150 nan 0.000 0.502 476 E N 1.364 121.678 120.200 0.190 0.000 2.396 476 E HA 0.788 5.138 4.350 -0.000 0.000 0.251 476 E C -0.570 176.138 176.600 0.179 0.000 0.949 476 E CA -0.499 55.990 56.400 0.149 0.000 0.834 476 E CB 0.793 30.556 29.700 0.105 0.000 1.309 476 E HN 0.788 nan 8.360 nan 0.000 0.405 477 I N 0.183 120.850 120.570 0.162 0.000 2.530 477 I HA 0.686 4.856 4.170 -0.000 0.000 0.297 477 I C -0.206 176.010 176.117 0.164 0.000 1.011 477 I CA -0.924 60.483 61.300 0.179 0.000 1.107 477 I CB 2.036 40.148 38.000 0.186 0.000 1.285 477 I HN 0.387 nan 8.210 nan 0.000 0.436 478 S N 1.433 117.248 115.700 0.192 0.000 2.548 478 S HA 0.221 4.691 4.470 -0.000 0.000 0.278 478 S C 0.620 175.360 174.600 0.233 0.000 1.150 478 S CA -0.098 58.211 58.200 0.182 0.000 0.907 478 S CB 1.551 64.844 63.200 0.155 0.000 1.108 478 S HN 0.888 nan 8.310 nan 0.000 0.459 479 T N 0.826 115.495 114.554 0.192 0.000 2.684 479 T HA 0.032 4.382 4.350 -0.000 0.000 0.267 479 T C 0.852 175.703 174.700 0.251 0.000 1.036 479 T CA 1.747 63.982 62.100 0.224 0.000 1.148 479 T CB -1.040 67.922 68.868 0.157 0.000 0.863 479 T HN 0.953 nan 8.240 nan 0.000 0.436 480 E N 4.185 124.476 120.200 0.152 0.000 2.257 480 E HA 0.443 4.793 4.350 -0.000 0.000 0.278 480 E C -2.022 174.502 176.600 -0.127 0.000 1.049 480 E CA -2.429 53.999 56.400 0.047 0.000 0.876 480 E CB -0.679 29.050 29.700 0.048 0.000 1.035 480 E HN 0.587 nan 8.360 nan 0.000 0.419 481 P HA 0.463 nan 4.420 nan 0.000 0.273 481 P C 0.755 177.847 177.300 -0.345 0.000 1.258 481 P CA 0.954 63.463 63.100 -0.984 0.000 0.802 481 P CB 0.566 31.539 31.700 -1.212 0.000 1.040 482 G N -1.845 106.822 108.800 -0.221 0.000 2.334 482 G HA2 0.106 4.066 3.960 -0.000 0.000 0.315 482 G HA3 0.106 4.066 3.960 -0.000 0.000 0.315 482 G C -3.293 171.657 174.900 0.083 0.000 1.284 482 G CA -0.785 44.293 45.100 -0.036 0.000 0.985 482 G HN 0.520 nan 8.290 nan 0.000 0.504 483 P HA 0.237 nan 4.420 nan 0.000 0.281 483 P C -0.881 176.573 177.300 0.257 0.000 1.252 483 P CA -0.044 63.145 63.100 0.148 0.000 0.778 483 P CB 0.830 32.596 31.700 0.109 0.000 0.895 484 H N 3.912 123.070 119.070 0.147 0.000 2.741 484 H HA 0.175 4.731 4.556 -0.000 0.000 0.282 484 H C 0.216 175.596 175.328 0.087 0.000 1.122 484 H CA -0.385 55.764 56.048 0.168 0.000 1.293 484 H CB 0.266 30.099 29.762 0.118 0.000 1.415 484 H HN 0.249 nan 8.280 nan 0.000 0.472 485 F N 3.382 123.147 119.950 -0.309 0.000 2.084 485 F HA -0.088 4.439 4.527 -0.000 0.000 0.296 485 F C 2.620 178.185 175.800 -0.392 0.000 1.111 485 F CA 1.697 59.415 58.000 -0.471 0.000 1.224 485 F CB -0.548 37.976 39.000 -0.792 0.000 0.991 485 F HN 0.709 nan 8.300 nan 0.000 0.471 486 G N 0.201 108.705 108.800 -0.493 0.000 2.574 486 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 486 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 486 G C 1.589 176.508 174.900 0.031 0.000 1.173 486 G CA 1.337 46.217 45.100 -0.368 0.000 0.772 486 G HN 0.373 nan 8.290 nan 0.000 0.585 487 L N 0.667 122.027 121.223 0.228 0.000 2.591 487 L HA 0.284 4.624 4.340 -0.000 0.000 0.228 487 L C 1.849 178.791 176.870 0.120 0.000 1.133 487 L CA 0.296 55.235 54.840 0.166 0.000 0.880 487 L CB -0.157 41.886 42.059 -0.026 0.000 1.033 487 L HN 0.396 nan 8.230 nan 0.000 0.450 488 G N 1.156 110.021 108.800 0.107 0.000 2.272 488 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 488 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 488 G C -0.347 174.574 174.900 0.035 0.000 1.067 488 G CA 0.090 45.217 45.100 0.046 0.000 0.902 488 G HN 0.244 nan 8.290 nan 0.000 0.500 489 L N -2.013 119.257 121.223 0.077 0.000 2.350 489 L HA 0.561 4.901 4.340 -0.000 0.000 0.260 489 L C 1.126 178.072 176.870 0.126 0.000 1.015 489 L CA -1.083 53.848 54.840 0.151 0.000 0.821 489 L CB 1.590 43.802 42.059 0.254 0.000 1.370 489 L HN 0.130 nan 8.230 nan 0.000 0.416 490 E N 0.886 121.175 120.200 0.148 0.000 2.299 490 E HA 0.251 4.600 4.350 -0.000 0.000 0.193 490 E C -0.059 176.636 176.600 0.158 0.000 0.998 490 E CA 0.469 56.934 56.400 0.107 0.000 0.851 490 E CB 0.442 30.197 29.700 0.090 0.000 0.795 490 E HN 0.535 nan 8.360 nan 0.000 0.492 491 A N 0.631 123.598 122.820 0.244 0.000 2.517 491 A HA 0.564 4.884 4.320 -0.000 0.000 0.297 491 A C -2.039 175.808 177.584 0.439 0.000 1.050 491 A CA -0.508 51.726 52.037 0.328 0.000 0.694 491 A CB 1.020 20.192 19.000 0.287 0.000 1.277 491 A HN 0.135 nan 8.150 nan 0.000 0.400 492 Y N 0.962 121.431 120.300 0.280 0.000 2.330 492 Y HA 0.608 5.158 4.550 -0.000 0.000 0.324 492 Y C -0.184 175.741 175.900 0.041 0.000 1.093 492 Y CA -0.069 58.112 58.100 0.134 0.000 1.103 492 Y CB 1.831 40.301 38.460 0.016 0.000 1.183 492 Y HN 1.176 nan 8.280 nan 0.000 0.433 493 A N 2.972 125.600 122.820 -0.320 0.000 2.386 493 A HA 0.811 5.131 4.320 -0.000 0.000 0.311 493 A C -0.714 176.689 177.584 -0.302 0.000 1.068 493 A CA -0.543 51.245 52.037 -0.414 0.000 0.743 493 A CB 0.954 19.541 19.000 -0.687 0.000 1.258 493 A HN 0.666 nan 8.150 nan 0.000 0.429 494 T N -0.390 114.081 114.554 -0.139 0.000 2.823 494 T HA 0.610 4.959 4.350 -0.000 0.000 0.279 494 T C 0.186 174.963 174.700 0.128 0.000 0.998 494 T CA -0.466 61.610 62.100 -0.040 0.000 0.994 494 T CB 1.019 69.885 68.868 -0.003 0.000 0.960 494 T HN 1.253 nan 8.240 nan 0.000 0.448 495 W N 0.780 122.055 121.300 -0.041 0.000 2.121 495 W HA 0.215 4.875 4.660 -0.000 0.000 0.275 495 W C -0.020 176.597 176.519 0.163 0.000 0.903 495 W CA -0.301 57.095 57.345 0.086 0.000 1.253 495 W CB -1.031 28.451 29.460 0.037 0.000 1.016 495 W HN 0.550 nan 8.180 nan 0.000 0.537 496 T N 1.791 116.082 114.554 -0.439 0.000 3.148 496 T HA 0.033 4.383 4.350 -0.000 0.000 0.253 496 T C 0.586 175.172 174.700 -0.189 0.000 1.134 496 T CA 1.139 62.927 62.100 -0.520 0.000 1.051 496 T CB -0.080 68.447 68.868 -0.568 0.000 0.959 496 T HN 0.070 nan 8.240 nan 0.000 0.525 497 S N 1.540 117.191 115.700 -0.082 0.000 2.539 497 S HA 0.207 4.677 4.470 -0.000 0.000 0.185 497 S C -2.278 172.305 174.600 -0.029 0.000 1.181 497 S CA -0.761 57.420 58.200 -0.032 0.000 1.216 497 S CB 1.207 64.415 63.200 0.014 0.000 1.476 497 S HN 0.216 nan 8.310 nan 0.000 0.395 498 P HA 0.179 nan 4.420 nan 0.000 0.241 498 P C 0.953 178.181 177.300 -0.119 0.000 1.191 498 P CA 0.229 63.226 63.100 -0.173 0.000 0.771 498 P CB -0.075 31.348 31.700 -0.462 0.000 0.929 499 I N 0.473 121.002 120.570 -0.069 0.000 2.584 499 I HA -0.073 4.097 4.170 -0.000 0.000 0.255 499 I C 2.512 178.628 176.117 -0.001 0.000 1.145 499 I CA 1.029 62.307 61.300 -0.036 0.000 1.462 499 I CB -0.304 37.681 38.000 -0.024 0.000 1.102 499 I HN -0.041 nan 8.210 nan 0.000 0.433 500 R N 0.301 120.823 120.500 0.036 0.000 2.419 500 R HA 0.329 4.669 4.340 -0.000 0.000 0.235 500 R C 0.222 176.593 176.300 0.119 0.000 0.899 500 R CA -0.200 55.953 56.100 0.089 0.000 1.048 500 R CB 0.115 30.529 30.300 0.191 0.000 1.182 500 R HN 0.055 nan 8.270 nan 0.000 0.544 501 K N 0.500 120.940 120.400 0.066 0.000 2.292 501 K HA 0.185 4.505 4.320 -0.000 0.000 0.257 501 K C -0.926 175.629 176.600 -0.074 0.000 0.940 501 K CA -0.815 55.467 56.287 -0.008 0.000 0.811 501 K CB 1.759 34.308 32.500 0.081 0.000 1.120 501 K HN -0.163 nan 8.250 nan 0.000 0.428 502 Y N 2.225 122.345 120.300 -0.299 0.000 2.163 502 Y HA -0.110 4.440 4.550 -0.000 0.000 0.288 502 Y C 2.029 177.838 175.900 -0.152 0.000 1.136 502 Y CA 2.346 60.315 58.100 -0.218 0.000 1.147 502 Y CB -0.303 38.000 38.460 -0.260 0.000 0.987 502 Y HN 0.920 nan 8.280 nan 0.000 0.509 503 G N 0.043 108.810 108.800 -0.054 0.000 2.517 503 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.222 503 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.222 503 G C 0.512 175.375 174.900 -0.061 0.000 1.109 503 G CA 1.133 46.212 45.100 -0.034 0.000 0.746 503 G HN 0.340 nan 8.290 nan 0.000 0.576 507 N N 1.194 119.869 118.700 -0.042 0.000 2.453 507 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 507 N C 1.490 176.991 175.510 -0.015 0.000 1.041 507 N CA 1.246 54.274 53.050 -0.037 0.000 0.900 507 N CB -0.360 38.115 38.487 -0.020 0.000 0.961 507 N HN 0.512 nan 8.380 nan 0.000 0.443 508 H N 0.472 119.503 119.070 -0.063 0.000 2.333 508 H HA 0.132 4.688 4.556 -0.000 0.000 0.302 508 H C 1.752 177.023 175.328 -0.094 0.000 1.075 508 H CA 0.821 56.840 56.048 -0.048 0.000 1.348 508 H CB 0.418 30.181 29.762 0.001 0.000 1.393 508 H HN 0.163 nan 8.280 nan 0.000 0.509 509 R N 0.547 121.062 120.500 0.024 0.000 2.083 509 R HA -0.121 4.219 4.340 -0.000 0.000 0.237 509 R C 2.447 178.711 176.300 -0.061 0.000 1.137 509 R CA 1.045 57.128 56.100 -0.028 0.000 0.951 509 R CB -0.345 29.930 30.300 -0.041 0.000 0.851 509 R HN 0.278 nan 8.270 nan 0.000 0.434 510 L N 0.061 121.237 121.223 -0.077 0.000 2.179 510 L HA -0.096 4.243 4.340 -0.000 0.000 0.208 510 L C 2.282 179.067 176.870 -0.143 0.000 1.096 510 L CA 0.250 55.042 54.840 -0.080 0.000 0.779 510 L CB -0.284 41.743 42.059 -0.053 0.000 0.922 510 L HN 0.082 nan 8.230 nan 0.000 0.443 511 L N 0.096 121.180 121.223 -0.231 0.000 2.093 511 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 511 L C 2.446 179.157 176.870 -0.266 0.000 1.085 511 L CA 1.705 56.320 54.840 -0.375 0.000 0.755 511 L CB -0.510 41.182 42.059 -0.612 0.000 0.904 511 L HN 0.106 nan 8.230 nan 0.000 0.435 512 K N -0.986 119.304 120.400 -0.182 0.000 2.057 512 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 512 K C 2.047 178.598 176.600 -0.081 0.000 1.049 512 K CA 1.317 57.537 56.287 -0.111 0.000 0.931 512 K CB -0.343 32.110 32.500 -0.078 0.000 0.714 512 K HN 0.378 nan 8.250 nan 0.000 0.440 513 A N 0.911 123.684 122.820 -0.078 0.000 2.024 513 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 513 A C 2.258 179.809 177.584 -0.054 0.000 1.164 513 A CA 1.402 53.407 52.037 -0.053 0.000 0.643 513 A CB -0.500 18.476 19.000 -0.040 0.000 0.806 513 A HN 0.082 nan 8.150 nan 0.000 0.451 514 V N -0.057 119.806 119.914 -0.085 0.000 2.302 514 V HA -0.211 3.909 4.120 -0.000 0.000 0.243 514 V C 2.346 178.411 176.094 -0.050 0.000 1.036 514 V CA 1.738 63.990 62.300 -0.079 0.000 1.020 514 V CB -0.789 30.953 31.823 -0.135 0.000 0.657 514 V HN 0.560 nan 8.190 nan 0.000 0.453 515 I N 0.603 121.144 120.570 -0.048 0.000 2.185 515 I HA -0.303 3.866 4.170 -0.000 0.000 0.246 515 I C 2.548 178.664 176.117 -0.002 0.000 1.088 515 I CA 2.319 63.619 61.300 0.000 0.000 1.347 515 I CB -0.707 37.302 38.000 0.016 0.000 1.041 515 I HN 0.437 nan 8.210 nan 0.000 0.415 516 K N 0.651 121.040 120.400 -0.018 0.000 2.311 516 K HA 0.608 4.927 4.320 -0.000 0.000 0.206 516 K C 0.879 177.470 176.600 -0.016 0.000 1.056 516 K CA 0.907 57.185 56.287 -0.016 0.000 1.051 516 K CB -1.055 31.432 32.500 -0.022 0.000 1.299 516 K HN 0.459 nan 8.250 nan 0.000 0.461 523 P HA 0.574 nan 4.420 nan 0.000 0.286 523 P C -0.006 177.307 177.300 0.022 0.000 1.269 523 P CA -0.170 62.948 63.100 0.030 0.000 0.787 523 P CB 1.449 33.189 31.700 0.066 0.000 0.920 524 Q N 0.814 120.627 119.800 0.021 0.000 2.255 524 Q HA 0.321 4.661 4.340 -0.000 0.000 0.280 524 Q C 1.138 177.155 176.000 0.028 0.000 1.068 524 Q CA 0.740 56.551 55.803 0.013 0.000 0.911 524 Q CB -1.257 27.488 28.738 0.011 0.000 1.157 524 Q HN 0.685 nan 8.270 nan 0.000 0.380 525 D N 1.307 121.723 120.400 0.026 0.000 2.417 525 D HA 0.089 4.729 4.640 -0.000 0.000 0.225 525 D C 1.528 177.850 176.300 0.036 0.000 0.983 525 D CA 1.726 55.749 54.000 0.039 0.000 0.949 525 D CB -0.433 40.388 40.800 0.035 0.000 0.879 525 D HN 0.990 nan 8.370 nan 0.000 0.520 526 E N 0.039 120.256 120.200 0.027 0.000 2.122 526 E HA 0.126 4.476 4.350 -0.000 0.000 0.190 526 E C 2.053 178.666 176.600 0.022 0.000 0.977 526 E CA 0.646 57.059 56.400 0.021 0.000 0.820 526 E CB -0.546 29.161 29.700 0.012 0.000 0.770 526 E HN 0.759 nan 8.360 nan 0.000 0.462 527 I N 0.807 121.394 120.570 0.027 0.000 2.454 527 I HA -0.159 4.011 4.170 -0.000 0.000 0.254 527 I C 2.764 178.903 176.117 0.036 0.000 1.156 527 I CA 1.606 62.919 61.300 0.022 0.000 1.433 527 I CB -0.172 37.858 38.000 0.051 0.000 1.082 527 I HN 0.273 nan 8.210 nan 0.000 0.432 528 T N 0.263 114.852 114.554 0.059 0.000 2.995 528 T HA -0.035 4.315 4.350 -0.000 0.000 0.269 528 T C 1.807 176.552 174.700 0.074 0.000 1.091 528 T CA 0.771 62.918 62.100 0.079 0.000 1.128 528 T CB -0.006 68.918 68.868 0.094 0.000 0.891 528 T HN 0.126 nan 8.240 nan 0.000 0.492 529 V N 1.186 121.132 119.914 0.053 0.000 2.667 529 V HA 0.026 4.146 4.120 -0.000 0.000 0.252 529 V C 1.654 177.774 176.094 0.044 0.000 1.065 529 V CA 0.881 63.209 62.300 0.047 0.000 1.083 529 V CB -0.338 31.505 31.823 0.033 0.000 0.692 529 V HN 0.394 nan 8.190 nan 0.000 0.468 533 E N 1.139 121.392 120.200 0.088 0.000 2.031 533 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 533 E C 2.010 178.647 176.600 0.062 0.000 0.994 533 E CA 1.734 58.171 56.400 0.061 0.000 0.800 533 E CB -0.157 29.573 29.700 0.049 0.000 0.752 533 E HN 0.366 nan 8.360 nan 0.000 0.447 534 R N 0.203 120.765 120.500 0.104 0.000 2.120 534 R HA -0.054 4.286 4.340 -0.000 0.000 0.234 534 R C 2.494 178.850 176.300 0.092 0.000 1.123 534 R CA 1.316 57.487 56.100 0.119 0.000 0.975 534 R CB -0.608 29.794 30.300 0.171 0.000 0.866 534 R HN 0.258 nan 8.270 nan 0.000 0.446 535 R N 0.690 121.243 120.500 0.089 0.000 2.096 535 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 535 R C 2.279 178.489 176.300 -0.150 0.000 1.127 535 R CA 1.367 57.333 56.100 -0.223 0.000 0.968 535 R CB -0.067 30.077 30.300 -0.260 0.000 0.861 535 R HN 0.070 nan 8.270 nan 0.000 0.440 536 R N 0.398 120.861 120.500 -0.061 0.000 2.055 536 R HA -0.025 4.315 4.340 -0.000 0.000 0.226 536 R C 2.417 178.660 176.300 -0.096 0.000 1.135 536 R CA 1.052 57.118 56.100 -0.057 0.000 0.959 536 R CB -0.265 30.026 30.300 -0.014 0.000 0.854 536 R HN 0.230 nan 8.270 nan 0.000 0.431 537 L N 1.253 122.421 121.223 -0.092 0.000 2.021 537 L HA -0.293 4.047 4.340 -0.000 0.000 0.215 537 L C 2.058 178.784 176.870 -0.241 0.000 1.074 537 L CA 1.572 56.305 54.840 -0.179 0.000 0.760 537 L CB -0.750 41.268 42.059 -0.067 0.000 0.889 537 L HN 0.302 nan 8.230 nan 0.000 0.433 538 N N -0.009 118.609 118.700 -0.137 0.000 2.120 538 N HA -0.122 4.617 4.740 -0.000 0.000 0.188 538 N C 1.403 176.846 175.510 -0.112 0.000 1.024 538 N CA 1.338 54.319 53.050 -0.115 0.000 0.852 538 N CB -0.619 37.806 38.487 -0.103 0.000 1.003 538 N HN 0.327 nan 8.380 nan 0.000 0.424 542 E N 0.673 120.867 120.200 -0.010 0.000 2.058 542 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 542 E C 2.105 178.715 176.600 0.016 0.000 0.997 542 E CA 1.527 57.934 56.400 0.012 0.000 0.801 542 E CB -0.149 29.576 29.700 0.042 0.000 0.746 542 E HN 0.507 nan 8.360 nan 0.000 0.450 543 R N 0.148 120.670 120.500 0.036 0.000 2.096 543 R HA -0.180 4.160 4.340 -0.000 0.000 0.240 543 R C 1.745 178.081 176.300 0.059 0.000 1.139 543 R CA 2.075 58.215 56.100 0.066 0.000 0.952 543 R CB -0.114 30.225 30.300 0.066 0.000 0.854 543 R HN 0.256 nan 8.270 nan 0.000 0.436 544 D N -0.500 119.941 120.400 0.069 0.000 2.149 544 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 544 D C 1.918 178.288 176.300 0.116 0.000 0.972 544 D CA 0.868 54.929 54.000 0.102 0.000 0.835 544 D CB -0.095 40.816 40.800 0.185 0.000 0.966 544 D HN 0.072 nan 8.370 nan 0.000 0.476 545 V N 0.954 120.845 119.914 -0.039 0.000 2.358 545 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 545 V C 2.532 178.410 176.094 -0.360 0.000 1.047 545 V CA 1.941 64.063 62.300 -0.298 0.000 1.035 545 V CB -0.969 30.517 31.823 -0.561 0.000 0.658 545 V HN 0.232 nan 8.190 nan 0.000 0.452 546 G N -0.194 108.441 108.800 -0.277 0.000 2.440 546 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 546 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 546 G C 1.243 176.058 174.900 -0.140 0.000 1.154 546 G CA 1.071 45.964 45.100 -0.345 0.000 0.767 546 G HN 0.493 nan 8.290 nan 0.000 0.552 547 D N 0.155 120.593 120.400 0.063 0.000 2.123 547 D HA -0.105 4.535 4.640 -0.000 0.000 0.196 547 D C 2.076 178.407 176.300 0.052 0.000 0.992 547 D CA 0.697 54.773 54.000 0.126 0.000 0.833 547 D CB -0.349 40.452 40.800 0.001 0.000 0.954 547 D HN 0.578 nan 8.370 nan 0.000 0.455 548 W N 0.990 122.186 121.300 -0.174 0.000 2.363 548 W HA -0.016 4.644 4.660 -0.000 0.000 0.296 548 W C 2.388 178.775 176.519 -0.218 0.000 1.212 548 W CA 0.412 57.624 57.345 -0.221 0.000 1.260 548 W CB -0.317 28.915 29.460 -0.380 0.000 1.131 548 W HN -0.029 nan 8.180 nan 0.000 0.530 549 L N -1.838 119.329 121.223 -0.093 0.000 2.131 549 L HA -0.168 4.171 4.340 -0.000 0.000 0.206 549 L C 2.054 179.002 176.870 0.130 0.000 1.087 549 L CA 1.096 55.823 54.840 -0.188 0.000 0.767 549 L CB -1.004 40.594 42.059 -0.768 0.000 0.917 549 L HN 0.082 nan 8.230 nan 0.000 0.441 550 Y N 0.137 120.580 120.300 0.237 0.000 2.145 550 Y HA -0.300 4.250 4.550 -0.000 0.000 0.286 550 Y C 2.728 178.735 175.900 0.178 0.000 1.145 550 Y CA 0.849 59.099 58.100 0.249 0.000 1.148 550 Y CB -0.153 38.394 38.460 0.146 0.000 0.981 550 Y HN 0.188 nan 8.280 nan 0.000 0.507 551 A N 0.320 123.300 122.820 0.268 0.000 1.873 551 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 551 A C 2.121 179.800 177.584 0.159 0.000 1.186 551 A CA 1.510 53.635 52.037 0.146 0.000 0.616 551 A CB -0.586 18.445 19.000 0.051 0.000 0.823 551 A HN 0.374 nan 8.150 nan 0.000 0.442 552 R N -2.057 118.552 120.500 0.183 0.000 2.105 552 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 552 R C 1.952 178.397 176.300 0.241 0.000 1.135 552 R CA 1.721 57.931 56.100 0.183 0.000 0.967 552 R CB -0.416 29.977 30.300 0.155 0.000 0.861 552 R HN 0.620 nan 8.270 nan 0.000 0.442 553 F N 0.562 120.596 119.950 0.141 0.000 2.234 553 F HA 0.007 4.533 4.527 -0.000 0.000 0.296 553 F C 1.598 177.475 175.800 0.129 0.000 1.089 553 F CA 1.107 59.199 58.000 0.154 0.000 1.343 553 F CB 0.125 39.250 39.000 0.208 0.000 1.040 553 F HN -0.122 nan 8.300 nan 0.000 0.498 554 L N -0.153 121.120 121.223 0.083 0.000 2.477 554 L HA 0.019 4.359 4.340 -0.000 0.000 0.220 554 L C 2.182 179.027 176.870 -0.040 0.000 1.106 554 L CA 0.241 55.044 54.840 -0.061 0.000 0.851 554 L CB -0.478 41.557 42.059 -0.039 0.000 0.994 554 L HN -0.015 nan 8.230 nan 0.000 0.462 555 K N 1.760 122.164 120.400 0.007 0.000 2.059 555 K HA -0.261 4.059 4.320 -0.000 0.000 0.212 555 K C 1.507 178.107 176.600 0.000 0.000 1.050 555 K CA 2.385 58.680 56.287 0.014 0.000 0.927 555 K CB -0.418 32.107 32.500 0.042 0.000 0.714 555 K HN 0.437 nan 8.250 nan 0.000 0.447 556 D N -0.646 119.745 120.400 -0.014 0.000 2.378 556 D HA -0.098 4.542 4.640 -0.000 0.000 0.227 556 D C 0.721 177.014 176.300 -0.012 0.000 1.012 556 D CA 0.664 54.657 54.000 -0.012 0.000 0.905 556 D CB 0.031 40.822 40.800 -0.016 0.000 0.895 556 D HN 0.125 nan 8.370 nan 0.000 0.532 557 K N 0.332 120.726 120.400 -0.010 0.000 2.379 557 K HA 0.272 4.592 4.320 -0.000 0.000 0.194 557 K C 0.704 177.328 176.600 0.040 0.000 1.031 557 K CA 0.131 56.442 56.287 0.039 0.000 1.037 557 K CB 0.003 32.577 32.500 0.125 0.000 0.824 557 K HN 0.240 nan 8.250 nan 0.000 0.516 558 A N 0.703 123.532 122.820 0.014 0.000 2.492 558 A HA 0.459 4.779 4.320 -0.000 0.000 0.254 558 A C 1.251 178.841 177.584 0.010 0.000 1.091 558 A CA 0.793 52.836 52.037 0.011 0.000 0.768 558 A CB -0.285 18.719 19.000 0.007 0.000 1.028 558 A HN 0.484 nan 8.150 nan 0.000 0.498 559 G N 1.814 110.616 108.800 0.004 0.000 2.217 559 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.246 559 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.246 559 G C 0.672 175.569 174.900 -0.004 0.000 0.990 559 G CA 1.031 46.128 45.100 -0.005 0.000 0.627 559 G HN 1.994 nan 8.290 nan 0.000 0.522 560 T N -0.940 113.619 114.554 0.008 0.000 2.847 560 T HA 0.492 4.842 4.350 -0.000 0.000 0.279 560 T C 1.076 175.779 174.700 0.004 0.000 0.984 560 T CA 0.572 62.675 62.100 0.006 0.000 0.988 560 T CB 1.538 70.413 68.868 0.012 0.000 1.040 560 T HN 0.376 nan 8.240 nan 0.000 0.528 561 D N -0.356 120.039 120.400 -0.009 0.000 2.324 561 D HA -0.004 4.635 4.640 -0.000 0.000 0.235 561 D C 0.067 176.352 176.300 -0.026 0.000 1.095 561 D CA -0.199 53.791 54.000 -0.017 0.000 0.871 561 D CB -0.871 39.914 40.800 -0.025 0.000 0.906 561 D HN 0.470 nan 8.370 nan 0.000 0.522 562 T N 1.191 115.735 114.554 -0.017 0.000 2.902 562 T HA 0.080 4.429 4.350 -0.000 0.000 0.301 562 T C 0.324 174.958 174.700 -0.110 0.000 1.012 562 T CA -0.133 61.911 62.100 -0.092 0.000 1.151 562 T CB 1.224 70.037 68.868 -0.091 0.000 0.946 562 T HN 0.131 nan 8.240 nan 0.000 0.542 563 R N 1.608 121.947 120.500 -0.267 0.000 2.474 563 R HA 0.581 4.921 4.340 -0.000 0.000 0.295 563 R C -1.383 174.682 176.300 -0.391 0.000 0.980 563 R CA -0.561 55.436 56.100 -0.171 0.000 0.934 563 R CB 0.668 30.895 30.300 -0.122 0.000 1.101 563 R HN 0.498 nan 8.270 nan 0.000 0.469 564 F N 1.574 121.515 119.950 -0.015 0.000 2.557 564 F HA 0.438 4.965 4.527 -0.000 0.000 0.316 564 F C 0.103 175.896 175.800 -0.011 0.000 1.141 564 F CA -0.836 57.157 58.000 -0.011 0.000 0.922 564 F CB 2.029 41.017 39.000 -0.020 0.000 1.194 564 F HN 0.566 nan 8.300 nan 0.000 0.443 565 A N 2.329 125.244 122.820 0.157 0.000 2.477 565 A HA 0.732 5.052 4.320 -0.000 0.000 0.246 565 A C -0.284 177.364 177.584 0.107 0.000 1.078 565 A CA 0.313 52.412 52.037 0.104 0.000 0.770 565 A CB -0.024 19.020 19.000 0.073 0.000 1.011 565 A HN 1.162 nan 8.150 nan 0.000 0.494 566 A N 2.097 124.957 122.820 0.066 0.000 2.517 566 A HA 0.628 4.948 4.320 -0.000 0.000 0.297 566 A C -0.611 176.986 177.584 0.021 0.000 1.050 566 A CA -0.461 51.595 52.037 0.031 0.000 0.694 566 A CB 0.984 19.988 19.000 0.007 0.000 1.277 566 A HN 0.914 nan 8.150 nan 0.000 0.400 567 E N 2.105 122.314 120.200 0.016 0.000 2.204 567 E HA 0.580 4.930 4.350 -0.000 0.000 0.276 567 E C -0.970 175.636 176.600 0.010 0.000 0.974 567 E CA -0.640 55.775 56.400 0.025 0.000 0.815 567 E CB 0.896 30.620 29.700 0.039 0.000 1.119 567 E HN 0.578 nan 8.360 nan 0.000 0.393 568 I N 4.837 125.419 120.570 0.020 0.000 2.379 568 I HA -0.003 4.167 4.170 -0.000 0.000 0.290 568 I C 0.896 177.034 176.117 0.035 0.000 1.063 568 I CA -0.240 61.067 61.300 0.010 0.000 1.351 568 I CB 1.095 39.101 38.000 0.010 0.000 1.410 568 I HN 0.514 nan 8.210 nan 0.000 0.505 569 V N 5.172 125.100 119.914 0.024 0.000 2.436 569 V HA 0.000 4.120 4.120 -0.000 0.000 0.240 569 V C 0.092 176.209 176.094 0.038 0.000 1.040 569 V CA 1.280 63.599 62.300 0.032 0.000 1.052 569 V CB -0.291 31.547 31.823 0.026 0.000 0.707 569 V HN 0.996 nan 8.190 nan 0.000 0.469 570 D N -2.039 118.386 120.400 0.043 0.000 2.615 570 D HA 0.527 5.166 4.640 -0.000 0.000 0.267 570 D C -1.132 175.204 176.300 0.060 0.000 1.236 570 D CA -0.531 53.499 54.000 0.051 0.000 0.839 570 D CB 1.673 42.502 40.800 0.048 0.000 1.380 570 D HN 0.083 nan 8.370 nan 0.000 0.433 571 I N 1.108 121.717 120.570 0.067 0.000 2.439 571 I HA 0.451 4.621 4.170 -0.000 0.000 0.285 571 I C -0.304 175.859 176.117 0.076 0.000 1.021 571 I CA -0.463 60.880 61.300 0.071 0.000 1.091 571 I CB 1.689 39.736 38.000 0.079 0.000 1.242 571 I HN 0.597 nan 8.210 nan 0.000 0.439 572 S N 4.364 120.122 115.700 0.097 0.000 2.776 572 S HA 0.658 5.128 4.470 -0.000 0.000 0.306 572 S C 1.277 175.924 174.600 0.078 0.000 1.114 572 S CA -0.247 58.006 58.200 0.088 0.000 0.973 572 S CB 1.353 64.621 63.200 0.113 0.000 1.250 572 S HN 0.630 nan 8.310 nan 0.000 0.549 573 R N 0.355 120.891 120.500 0.060 0.000 2.066 573 R HA 0.217 4.557 4.340 -0.000 0.000 0.232 573 R C 1.935 178.273 176.300 0.063 0.000 1.131 573 R CA 1.660 57.788 56.100 0.046 0.000 0.955 573 R CB -1.893 28.420 30.300 0.020 0.000 0.851 573 R HN 1.024 nan 8.270 nan 0.000 0.432 574 G N -0.712 108.151 108.800 0.104 0.000 3.440 574 G HA2 0.483 4.443 3.960 -0.000 0.000 0.263 574 G HA3 0.483 4.443 3.960 -0.000 0.000 0.263 574 G C 0.554 175.555 174.900 0.167 0.000 1.236 574 G CA 0.634 45.815 45.100 0.135 0.000 0.927 574 G HN 1.268 nan 8.290 nan 0.000 0.530 578 V N -0.602 119.298 119.914 -0.023 0.000 3.001 578 V HA 0.753 4.873 4.120 -0.000 0.000 0.314 578 V C -0.639 175.416 176.094 -0.064 0.000 1.099 578 V CA -1.086 61.187 62.300 -0.046 0.000 0.989 578 V CB 2.224 34.003 31.823 -0.072 0.000 1.040 578 V HN 0.808 nan 8.190 nan 0.000 0.434 579 R N 3.017 123.479 120.500 -0.064 0.000 2.437 579 R HA 0.660 5.000 4.340 -0.000 0.000 0.310 579 R C -1.117 175.116 176.300 -0.112 0.000 0.955 579 R CA -0.839 55.197 56.100 -0.108 0.000 0.851 579 R CB 1.555 31.819 30.300 -0.060 0.000 1.161 579 R HN 0.921 nan 8.270 nan 0.000 0.446 580 L N 5.573 126.678 121.223 -0.196 0.000 2.433 580 L HA 0.103 4.443 4.340 -0.000 0.000 0.275 580 L C 1.528 178.345 176.870 -0.090 0.000 1.128 580 L CA -0.558 54.202 54.840 -0.133 0.000 0.875 580 L CB 1.127 43.047 42.059 -0.232 0.000 1.171 580 L HN 0.617 nan 8.230 nan 0.000 0.463 581 V N 2.007 121.944 119.914 0.039 0.000 2.332 581 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 581 V C 2.043 178.243 176.094 0.177 0.000 1.055 581 V CA 2.146 64.516 62.300 0.117 0.000 1.038 581 V CB -0.435 31.456 31.823 0.113 0.000 0.651 581 V HN 0.913 nan 8.190 nan 0.000 0.450 582 D N 0.803 121.299 120.400 0.160 0.000 2.218 582 D HA -0.152 4.488 4.640 -0.000 0.000 0.204 582 D C 1.497 177.887 176.300 0.151 0.000 0.976 582 D CA 1.748 55.864 54.000 0.193 0.000 0.853 582 D CB -0.085 40.865 40.800 0.251 0.000 0.939 582 D HN 0.751 nan 8.370 nan 0.000 0.481 583 N N -2.786 115.865 118.700 -0.081 0.000 2.129 583 N HA 0.175 4.915 4.740 -0.000 0.000 0.222 583 N C 1.380 176.327 175.510 -0.938 0.000 1.303 583 N CA 0.562 53.452 53.050 -0.266 0.000 0.897 583 N CB 0.424 38.911 38.487 -0.001 0.000 1.093 583 N HN 0.078 nan 8.380 nan 0.000 0.501 584 G N -0.230 107.798 108.800 -1.287 0.000 2.179 584 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.260 584 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.260 584 G C 0.402 174.787 174.900 -0.857 0.000 0.977 584 G CA 0.190 44.527 45.100 -1.272 0.000 0.641 584 G HN 0.844 nan 8.290 nan 0.000 0.533 585 A N 0.702 122.865 122.820 -1.095 0.000 2.483 585 A HA 0.538 4.858 4.320 -0.000 0.000 0.238 585 A C 0.659 177.878 177.584 -0.608 0.000 1.070 585 A CA 0.330 51.581 52.037 -1.311 0.000 0.770 585 A CB 0.214 18.572 19.000 -1.071 0.000 1.008 585 A HN 0.657 nan 8.150 nan 0.000 0.497 586 I N 1.300 121.608 120.570 -0.436 0.000 2.331 586 I HA 0.514 4.684 4.170 -0.000 0.000 0.292 586 I C 0.626 176.655 176.117 -0.147 0.000 0.998 586 I CA 0.170 61.347 61.300 -0.205 0.000 1.267 586 I CB 0.685 38.625 38.000 -0.101 0.000 1.386 586 I HN 0.724 nan 8.210 nan 0.000 0.476 587 A N 6.448 129.210 122.820 -0.097 0.000 2.413 587 A HA 0.753 5.073 4.320 -0.000 0.000 0.307 587 A C -1.375 176.252 177.584 0.070 0.000 1.087 587 A CA -0.497 51.516 52.037 -0.039 0.000 0.750 587 A CB 1.761 20.702 19.000 -0.099 0.000 1.296 587 A HN 0.498 nan 8.150 nan 0.000 0.423 588 F N 1.513 121.425 119.950 -0.063 0.000 2.443 588 F HA 0.704 5.230 4.527 -0.000 0.000 0.335 588 F C -0.578 175.215 175.800 -0.010 0.000 1.104 588 F CA -1.110 56.864 58.000 -0.043 0.000 1.013 588 F CB 1.191 40.164 39.000 -0.044 0.000 1.136 588 F HN 0.386 nan 8.300 nan 0.000 0.470 589 I N 7.878 128.043 120.570 -0.676 0.000 2.405 589 I HA 0.281 4.451 4.170 -0.000 0.000 0.280 589 I C -2.397 173.218 176.117 -0.838 0.000 1.027 589 I CA -2.023 58.980 61.300 -0.495 0.000 1.161 589 I CB 1.115 38.942 38.000 -0.288 0.000 1.300 589 I HN 0.387 nan 8.210 nan 0.000 0.463 590 P HA 0.044 nan 4.420 nan 0.000 0.269 590 P C 0.706 177.786 177.300 -0.366 0.000 1.209 590 P CA 0.037 62.772 63.100 -0.609 0.000 0.776 590 P CB 1.040 32.471 31.700 -0.449 0.000 0.876 591 A N 5.364 128.050 122.820 -0.224 0.000 1.940 591 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 591 A C -0.495 177.051 177.584 -0.062 0.000 1.176 591 A CA 1.816 53.795 52.037 -0.098 0.000 0.631 591 A CB -2.381 16.602 19.000 -0.029 0.000 0.814 591 A HN 0.494 nan 8.150 nan 0.000 0.446 592 P HA -0.101 nan 4.420 nan 0.000 0.225 592 P C 0.828 178.155 177.300 0.045 0.000 1.148 592 P CA 0.832 63.874 63.100 -0.096 0.000 0.779 592 P CB -0.182 31.393 31.700 -0.210 0.000 0.780 593 F N -1.782 118.153 119.950 -0.024 0.000 2.780 593 F HA 0.068 4.595 4.527 -0.000 0.000 0.299 593 F C 1.744 177.548 175.800 0.007 0.000 1.146 593 F CA -0.062 57.923 58.000 -0.024 0.000 1.428 593 F CB -0.267 38.697 39.000 -0.061 0.000 1.115 593 F HN -0.144 nan 8.300 nan 0.000 0.583 594 L N -1.308 120.033 121.223 0.196 0.000 2.307 594 L HA 0.071 4.410 4.340 -0.000 0.000 0.211 594 L C 0.016 177.061 176.870 0.291 0.000 1.099 594 L CA 0.591 55.563 54.840 0.219 0.000 0.816 594 L CB -0.126 42.040 42.059 0.178 0.000 0.952 594 L HN 0.127 nan 8.230 nan 0.000 0.455 595 H N -2.506 116.626 119.070 0.104 0.000 3.068 595 H HA 0.464 5.020 4.556 -0.000 0.000 0.342 595 H C 0.084 175.451 175.328 0.065 0.000 1.284 595 H CA -0.269 55.825 56.048 0.076 0.000 1.181 595 H CB 1.429 31.227 29.762 0.059 0.000 1.898 595 H HN -0.155 nan 8.280 nan 0.000 0.540 596 A N 2.571 125.172 122.820 -0.365 0.000 1.970 596 A HA 0.196 4.516 4.320 -0.000 0.000 0.216 596 A C 0.019 177.489 177.584 -0.190 0.000 1.170 596 A CA 1.135 53.038 52.037 -0.223 0.000 0.645 596 A CB 0.082 18.949 19.000 -0.222 0.000 0.816 596 A HN 0.243 nan 8.150 nan 0.000 0.447 597 V N 1.105 120.843 119.914 -0.294 0.000 2.318 597 V HA 0.210 4.330 4.120 -0.000 0.000 0.271 597 V C 1.384 177.542 176.094 0.107 0.000 1.030 597 V CA -0.544 61.725 62.300 -0.051 0.000 0.844 597 V CB 0.896 32.713 31.823 -0.011 0.000 1.015 597 V HN 0.597 nan 8.190 nan 0.000 0.460 598 R N 2.830 123.368 120.500 0.064 0.000 2.082 598 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 598 R C 1.251 177.599 176.300 0.079 0.000 1.136 598 R CA 2.236 58.378 56.100 0.071 0.000 0.935 598 R CB 0.042 30.365 30.300 0.038 0.000 0.842 598 R HN 0.732 nan 8.270 nan 0.000 0.430 599 D N 0.436 120.873 120.400 0.062 0.000 2.389 599 D HA -0.110 4.530 4.640 -0.000 0.000 0.221 599 D C 0.871 177.207 176.300 0.059 0.000 0.974 599 D CA 0.958 54.988 54.000 0.049 0.000 0.923 599 D CB 0.012 40.834 40.800 0.037 0.000 0.892 599 D HN 0.486 nan 8.370 nan 0.000 0.518 600 E N -0.691 119.572 120.200 0.105 0.000 2.474 600 E HA 0.085 4.435 4.350 -0.000 0.000 0.195 600 E C 0.030 176.639 176.600 0.015 0.000 1.039 600 E CA -0.202 56.249 56.400 0.085 0.000 0.881 600 E CB 0.719 30.531 29.700 0.187 0.000 0.970 600 E HN 0.072 nan 8.360 nan 0.000 0.486 601 L N 1.188 122.447 121.223 0.060 0.000 2.319 601 L HA 0.376 4.716 4.340 -0.000 0.000 0.281 601 L C -1.106 175.781 176.870 0.030 0.000 1.005 601 L CA -0.845 54.015 54.840 0.032 0.000 0.828 601 L CB 1.903 44.025 42.059 0.106 0.000 1.227 601 L HN -0.228 nan 8.230 nan 0.000 0.415 602 V N 5.843 125.766 119.914 0.015 0.000 2.444 602 V HA 0.507 4.626 4.120 -0.000 0.000 0.294 602 V C -0.936 175.180 176.094 0.036 0.000 1.022 602 V CA -0.318 61.996 62.300 0.023 0.000 0.850 602 V CB 1.391 33.224 31.823 0.015 0.000 0.992 602 V HN 0.939 nan 8.190 nan 0.000 0.426 603 C N 5.673 124.998 119.300 0.042 0.000 2.239 603 C HA 0.597 5.057 4.460 -0.000 0.000 0.323 603 C C 0.640 175.661 174.990 0.051 0.000 1.205 603 C CA -0.357 58.693 59.018 0.053 0.000 1.584 603 C CB 0.126 27.895 27.740 0.048 0.000 2.201 603 C HN 0.915 nan 8.230 nan 0.000 0.475 604 S N 2.671 118.408 115.700 0.061 0.000 2.420 604 S HA 0.163 4.633 4.470 -0.000 0.000 0.313 604 S C 0.887 175.528 174.600 0.068 0.000 1.079 604 S CA -0.308 57.927 58.200 0.059 0.000 1.104 604 S CB 0.672 63.910 63.200 0.065 0.000 0.969 604 S HN 0.853 nan 8.310 nan 0.000 0.471 605 Q N 3.686 123.517 119.800 0.052 0.000 2.002 605 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 605 Q C 1.549 177.577 176.000 0.046 0.000 0.988 605 Q CA 2.157 57.988 55.803 0.046 0.000 0.843 605 Q CB -0.155 28.601 28.738 0.029 0.000 0.908 605 Q HN 0.891 nan 8.270 nan 0.000 0.420 606 E N 0.281 120.506 120.200 0.042 0.000 2.055 606 E HA -0.240 4.110 4.350 -0.000 0.000 0.209 606 E C 1.618 178.264 176.600 0.077 0.000 1.036 606 E CA 1.534 57.962 56.400 0.047 0.000 0.849 606 E CB -0.368 29.358 29.700 0.043 0.000 0.767 606 E HN 0.531 nan 8.360 nan 0.000 0.461 607 N N -0.100 118.664 118.700 0.108 0.000 2.461 607 N HA -0.010 4.730 4.740 -0.000 0.000 0.188 607 N C 0.939 176.607 175.510 0.263 0.000 1.134 607 N CA 0.893 54.052 53.050 0.182 0.000 0.878 607 N CB 0.680 39.268 38.487 0.169 0.000 0.972 607 N HN 0.312 nan 8.380 nan 0.000 0.456 608 G N 1.713 110.621 108.800 0.180 0.000 2.305 608 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.287 608 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.287 608 G C 0.121 175.209 174.900 0.314 0.000 1.036 608 G CA 1.077 46.306 45.100 0.215 0.000 0.887 608 G HN 0.530 nan 8.290 nan 0.000 0.505 609 T N -3.820 110.859 114.554 0.209 0.000 2.906 609 T HA 0.738 5.087 4.350 -0.000 0.000 0.295 609 T C -0.672 174.099 174.700 0.118 0.000 1.075 609 T CA -0.682 61.512 62.100 0.157 0.000 1.005 609 T CB 3.090 72.023 68.868 0.108 0.000 1.136 609 T HN 0.824 nan 8.240 nan 0.000 0.498 610 V N 1.981 121.966 119.914 0.118 0.000 2.444 610 V HA 0.455 4.575 4.120 -0.000 0.000 0.294 610 V C -0.518 175.602 176.094 0.043 0.000 1.022 610 V CA -0.725 61.643 62.300 0.112 0.000 0.850 610 V CB 1.575 33.537 31.823 0.232 0.000 0.992 610 V HN 0.909 nan 8.190 nan 0.000 0.426 611 Q N 4.537 124.341 119.800 0.007 0.000 2.312 611 Q HA 0.663 5.003 4.340 -0.000 0.000 0.263 611 Q C -1.200 174.744 176.000 -0.093 0.000 0.995 611 Q CA -0.615 55.160 55.803 -0.047 0.000 0.853 611 Q CB 3.108 31.825 28.738 -0.036 0.000 1.300 611 Q HN 0.627 nan 8.270 nan 0.000 0.448 612 I N 2.811 123.282 120.570 -0.164 0.000 2.382 612 I HA 0.161 4.331 4.170 -0.000 0.000 0.285 612 I C -0.255 175.743 176.117 -0.198 0.000 1.007 612 I CA -0.403 60.725 61.300 -0.286 0.000 1.142 612 I CB 0.874 38.567 38.000 -0.511 0.000 1.289 612 I HN 0.594 nan 8.210 nan 0.000 0.453 613 K N 4.510 124.827 120.400 -0.139 0.000 3.125 613 K HA -0.209 4.111 4.320 -0.000 0.000 0.268 613 K C 0.852 177.417 176.600 -0.059 0.000 1.078 613 K CA 0.538 56.781 56.287 -0.072 0.000 0.775 613 K CB -1.764 30.702 32.500 -0.056 0.000 1.253 613 K HN 1.199 nan 8.250 nan 0.000 0.486 614 G N -0.077 108.689 108.800 -0.056 0.000 2.168 614 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.263 614 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.263 614 G C -0.220 174.648 174.900 -0.053 0.000 0.977 614 G CA 0.839 45.913 45.100 -0.044 0.000 0.659 614 G HN 0.518 nan 8.290 nan 0.000 0.533 615 E N 0.783 120.940 120.200 -0.073 0.000 2.171 615 E HA 0.421 4.770 4.350 -0.000 0.000 0.271 615 E C -0.255 176.287 176.600 -0.098 0.000 0.916 615 E CA -0.508 55.843 56.400 -0.082 0.000 0.774 615 E CB 1.189 30.837 29.700 -0.087 0.000 1.128 615 E HN 0.133 nan 8.360 nan 0.000 0.403 616 T N 1.678 116.178 114.554 -0.090 0.000 2.834 616 T HA 0.068 4.418 4.350 -0.000 0.000 0.298 616 T C 1.189 175.803 174.700 -0.144 0.000 0.966 616 T CA -0.200 61.843 62.100 -0.094 0.000 1.141 616 T CB 0.569 69.384 68.868 -0.089 0.000 0.905 616 T HN 0.427 nan 8.240 nan 0.000 0.535 617 V N 0.719 120.514 119.914 -0.197 0.000 3.612 617 V HA 0.482 4.602 4.120 -0.000 0.000 0.268 617 V C -0.337 175.435 176.094 -0.536 0.000 1.365 617 V CA 0.041 62.104 62.300 -0.395 0.000 1.044 617 V CB -0.535 30.968 31.823 -0.533 0.000 0.820 617 V HN 0.805 nan 8.190 nan 0.000 0.444 618 Y N 1.355 121.636 120.300 -0.032 0.000 2.544 618 Y HA 0.757 5.307 4.550 -0.000 0.000 0.342 618 Y C -0.394 175.502 175.900 -0.007 0.000 1.062 618 Y CA -1.053 57.038 58.100 -0.015 0.000 1.023 618 Y CB 2.170 40.630 38.460 0.000 0.000 1.308 618 Y HN 0.211 nan 8.280 nan 0.000 0.457 619 K N -0.010 120.508 120.400 0.197 0.000 2.551 619 K HA 0.667 4.987 4.320 -0.000 0.000 0.269 619 K C -1.209 175.535 176.600 0.240 0.000 0.949 619 K CA -1.097 55.294 56.287 0.173 0.000 0.849 619 K CB 2.158 34.623 32.500 -0.059 0.000 1.411 619 K HN 0.531 nan 8.250 nan 0.000 0.432 620 V N 0.040 120.162 119.914 0.347 0.000 2.694 620 V HA 0.149 4.269 4.120 -0.000 0.000 0.306 620 V C 0.209 176.455 176.094 0.253 0.000 1.054 620 V CA 1.272 63.712 62.300 0.233 0.000 1.161 620 V CB -0.027 31.879 31.823 0.139 0.000 0.916 620 V HN 1.142 nan 8.190 nan 0.000 0.490 621 T N 0.931 115.572 114.554 0.145 0.000 8.221 621 T HA -0.195 4.154 4.350 -0.000 0.000 0.308 621 T C 0.285 175.044 174.700 0.099 0.000 2.067 621 T CA 0.833 63.004 62.100 0.119 0.000 3.452 621 T CB -1.608 67.351 68.868 0.152 0.000 1.536 621 T HN 0.996 nan 8.240 nan 0.000 0.730 622 D N 1.529 121.997 120.400 0.112 0.000 2.478 622 D HA 0.300 4.940 4.640 -0.000 0.000 0.234 622 D C 0.147 176.494 176.300 0.078 0.000 1.154 622 D CA 0.431 54.490 54.000 0.098 0.000 0.874 622 D CB 0.727 41.611 40.800 0.141 0.000 1.198 622 D HN 0.279 nan 8.370 nan 0.000 0.455 623 V N 3.708 123.664 119.914 0.070 0.000 2.398 623 V HA 0.450 4.569 4.120 -0.000 0.000 0.286 623 V C 0.416 176.550 176.094 0.067 0.000 1.026 623 V CA -0.564 61.771 62.300 0.059 0.000 0.868 623 V CB 1.080 32.933 31.823 0.050 0.000 0.982 623 V HN 0.346 nan 8.190 nan 0.000 0.443 624 I N 0.506 121.111 120.570 0.060 0.000 2.969 624 I HA 0.706 4.876 4.170 -0.000 0.000 0.307 624 I C -0.970 175.179 176.117 0.054 0.000 1.149 624 I CA -0.950 60.391 61.300 0.069 0.000 1.008 624 I CB 2.367 40.422 38.000 0.092 0.000 1.232 624 I HN 0.271 nan 8.210 nan 0.000 0.435 625 D N 3.505 123.938 120.400 0.056 0.000 2.302 625 D HA 0.514 5.153 4.640 -0.000 0.000 0.248 625 D C -0.115 176.217 176.300 0.052 0.000 1.094 625 D CA 0.079 54.113 54.000 0.056 0.000 0.897 625 D CB 2.130 42.952 40.800 0.037 0.000 1.200 625 D HN 0.595 nan 8.370 nan 0.000 0.429 626 V N -1.310 118.650 119.914 0.077 0.000 3.130 626 V HA 0.838 4.957 4.120 -0.000 0.000 0.310 626 V C -0.169 175.995 176.094 0.115 0.000 1.158 626 V CA -0.934 61.401 62.300 0.057 0.000 1.029 626 V CB 1.798 33.633 31.823 0.019 0.000 1.057 626 V HN 0.623 nan 8.190 nan 0.000 0.436 627 T N 0.178 114.770 114.554 0.064 0.000 2.912 627 T HA 0.731 5.080 4.350 -0.000 0.000 0.288 627 T C -0.367 174.359 174.700 0.044 0.000 1.030 627 T CA -0.740 61.416 62.100 0.095 0.000 1.020 627 T CB 1.593 70.478 68.868 0.028 0.000 1.056 627 T HN 0.720 nan 8.240 nan 0.000 0.480 628 I N 2.431 123.041 120.570 0.065 0.000 2.363 628 I HA 0.303 4.473 4.170 -0.000 0.000 0.292 628 I C 1.416 177.527 176.117 -0.009 0.000 1.075 628 I CA -0.644 60.653 61.300 -0.005 0.000 1.333 628 I CB -0.111 37.864 38.000 -0.041 0.000 1.415 628 I HN 1.005 nan 8.210 nan 0.000 0.502 629 A N 6.846 129.653 122.820 -0.023 0.000 1.898 629 A HA 0.026 4.346 4.320 -0.000 0.000 0.214 629 A C 0.610 178.204 177.584 0.016 0.000 1.183 629 A CA 0.848 52.872 52.037 -0.022 0.000 0.622 629 A CB 0.103 19.087 19.000 -0.026 0.000 0.824 629 A HN 0.810 nan 8.150 nan 0.000 0.444 630 E N -2.381 117.835 120.200 0.026 0.000 2.388 630 E HA 0.543 4.893 4.350 -0.000 0.000 0.281 630 E C -1.799 174.811 176.600 0.016 0.000 1.046 630 E CA -0.947 55.469 56.400 0.027 0.000 0.825 630 E CB 1.500 31.226 29.700 0.044 0.000 1.243 630 E HN -0.070 nan 8.360 nan 0.000 0.438 631 V N 1.745 121.666 119.914 0.011 0.000 2.409 631 V HA 0.462 4.582 4.120 -0.000 0.000 0.290 631 V C -0.252 175.844 176.094 0.004 0.000 1.017 631 V CA -0.676 61.626 62.300 0.003 0.000 0.841 631 V CB 1.196 33.023 31.823 0.006 0.000 1.003 631 V HN 0.593 nan 8.190 nan 0.000 0.426 635 T N -0.932 113.534 114.554 -0.147 0.000 3.191 635 T HA 0.227 4.577 4.350 -0.000 0.000 0.285 635 T C -0.325 174.210 174.700 -0.274 0.000 0.887 635 T CA 0.655 62.638 62.100 -0.195 0.000 0.881 635 T CB -0.087 68.694 68.868 -0.145 0.000 1.217 635 T HN 0.101 nan 8.240 nan 0.000 0.591 636 R N 1.268 121.599 120.500 -0.282 0.000 3.516 636 R HA -0.097 4.243 4.340 -0.000 0.000 0.271 636 R C -0.179 176.029 176.300 -0.155 0.000 1.098 636 R CA 0.863 56.807 56.100 -0.259 0.000 0.732 636 R CB -2.720 27.308 30.300 -0.452 0.000 1.152 636 R HN 0.346 nan 8.270 nan 0.000 0.455 637 S N -0.081 115.549 115.700 -0.117 0.000 2.508 637 S HA 0.716 5.186 4.470 -0.000 0.000 0.284 637 S C 0.200 174.780 174.600 -0.034 0.000 1.192 637 S CA -0.808 57.344 58.200 -0.080 0.000 1.070 637 S CB 0.730 63.878 63.200 -0.087 0.000 1.004 637 S HN 0.298 nan 8.310 nan 0.000 0.493 638 I N 5.312 125.872 120.570 -0.017 0.000 2.378 638 I HA 0.426 4.596 4.170 -0.000 0.000 0.291 638 I C -0.619 175.521 176.117 0.040 0.000 0.992 638 I CA -0.766 60.528 61.300 -0.010 0.000 1.154 638 I CB 1.542 39.507 38.000 -0.059 0.000 1.315 638 I HN 0.427 nan 8.210 nan 0.000 0.448 639 I N 5.252 125.854 120.570 0.053 0.000 2.354 639 I HA 0.647 4.817 4.170 -0.000 0.000 0.292 639 I C 0.348 176.494 176.117 0.047 0.000 0.989 639 I CA -0.274 61.087 61.300 0.103 0.000 1.188 639 I CB 1.344 39.434 38.000 0.151 0.000 1.342 639 I HN 0.627 nan 8.210 nan 0.000 0.457 640 A N 7.524 130.360 122.820 0.026 0.000 2.435 640 A HA 0.940 5.259 4.320 -0.000 0.000 0.296 640 A C -0.426 177.148 177.584 -0.015 0.000 1.147 640 A CA -0.755 51.270 52.037 -0.020 0.000 0.775 640 A CB 1.981 20.945 19.000 -0.060 0.000 1.340 640 A HN 0.716 nan 8.150 nan 0.000 0.427 641 R N 0.017 120.476 120.500 -0.068 0.000 2.725 641 R HA 0.516 4.856 4.340 -0.000 0.000 0.277 641 R C -3.042 173.216 176.300 -0.070 0.000 0.987 641 R CA -1.820 54.214 56.100 -0.109 0.000 0.901 641 R CB 2.183 32.305 30.300 -0.296 0.000 1.207 641 R HN 0.426 nan 8.270 nan 0.000 0.463 642 P HA 0.033 nan 4.420 nan 0.000 0.271 642 P C -0.245 177.054 177.300 -0.002 0.000 1.216 642 P CA -0.433 62.664 63.100 -0.006 0.000 0.776 642 P CB 0.552 32.283 31.700 0.052 0.000 0.881 643 V N 2.238 122.160 119.914 0.014 0.000 2.752 643 V HA 0.085 4.205 4.120 -0.000 0.000 0.306 643 V C 1.085 177.189 176.094 0.018 0.000 1.099 643 V CA 0.746 63.052 62.300 0.010 0.000 1.240 643 V CB -0.387 31.447 31.823 0.019 0.000 0.887 643 V HN 0.722 nan 8.190 nan 0.000 0.499 644 A N 0.000 122.821 122.820 0.002 0.000 2.254 644 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 644 A CA 0.000 52.042 52.037 0.008 0.000 0.836 644 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 644 A HN 0.000 nan 8.150 nan 0.000 0.486